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 2afk_1_A DATA FIRST_RESID 4 DATA SEQUENCE MSREEVESLI QEVLEVYPEK ARKDRNKHLA VNDPAVTQSK KCIISNKKSQ DATA SEQUENCE PGLMTIRGCA YAGSKGVVWG PIKDMIHISH GPVGCGQYSR AGRRNYYIGT DATA SEQUENCE TGVNAFVTMN FTSDFQEKDI VFGGDKKLAK LIDEVETLFP LNKGISVQSE DATA SEQUENCE CPIGLIGDDI ESVSKVKGAE LSKTIVPVRC EGFRGVSQSL GHHIANDAVR DATA SEQUENCE DWVLGKRDED TTFASTPYDV AIIGDYNIGG DAWSSRILLE EMGLRCVAQW DATA SEQUENCE SGDGSISEIE LTPKVKLNLV HCYRSMNYIS RHMEEKYGIP WMEYNFFGPT DATA SEQUENCE KTIESLRAIA AKFDESIQKK CEEVIAKYKP EWEAVVAKYR PRLEGKRVML DATA SEQUENCE YIGGLRPRHV IGAYEDLGME VVGTGYEFAH NDDYDRTMKE MGDSTLLYDD DATA SEQUENCE VTGYEFEEFV KRIKPDLIGS GIKEKFIFQK MGIPFREMHS WDYSGPYHGF DATA SEQUENCE DGFAIFARDM DMTLNNPCWK KLQAPWE 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 4 M HA 0.000 nan 4.480 nan 0.000 0.227 4 M C 0.000 176.283 176.300 -0.028 0.000 1.140 4 M CA 0.000 55.283 55.300 -0.028 0.000 0.988 4 M CB 0.000 32.580 32.600 -0.034 0.000 1.302 5 S N 0.593 116.279 115.700 -0.024 0.000 2.632 5 S HA 0.417 4.888 4.470 0.002 0.000 0.267 5 S C 0.856 175.441 174.600 -0.026 0.000 1.276 5 S CA -0.159 58.028 58.200 -0.022 0.000 0.998 5 S CB 1.373 64.563 63.200 -0.017 0.000 0.953 5 S HN 0.835 nan 8.310 nan 0.000 0.547 6 R N 0.957 121.442 120.500 -0.025 0.000 2.081 6 R HA -0.098 4.243 4.340 0.002 0.000 0.235 6 R C 1.550 177.836 176.300 -0.023 0.000 1.131 6 R CA 2.048 58.132 56.100 -0.027 0.000 0.960 6 R CB -0.368 29.917 30.300 -0.024 0.000 0.856 6 R HN 0.684 nan 8.270 nan 0.000 0.436 7 E N 0.589 120.779 120.200 -0.017 0.000 2.077 7 E HA -0.165 4.186 4.350 0.002 0.000 0.193 7 E C 1.826 178.420 176.600 -0.011 0.000 0.989 7 E CA 1.626 58.019 56.400 -0.012 0.000 0.800 7 E CB -0.037 29.658 29.700 -0.009 0.000 0.746 7 E HN 0.472 nan 8.360 nan 0.000 0.452 8 E N -0.053 120.139 120.200 -0.013 0.000 2.106 8 E HA -0.128 4.223 4.350 0.002 0.000 0.192 8 E C 2.044 178.635 176.600 -0.015 0.000 0.984 8 E CA 1.099 57.492 56.400 -0.012 0.000 0.806 8 E CB 0.042 29.734 29.700 -0.014 0.000 0.750 8 E HN 0.069 nan 8.360 nan 0.000 0.458 9 V N 1.685 121.583 119.914 -0.027 0.000 2.358 9 V HA -0.240 3.881 4.120 0.002 0.000 0.246 9 V C 1.994 178.069 176.094 -0.032 0.000 1.047 9 V CA 1.818 64.092 62.300 -0.043 0.000 1.035 9 V CB -0.470 31.314 31.823 -0.065 0.000 0.658 9 V HN 0.238 nan 8.190 nan 0.000 0.452 10 E N -0.077 120.110 120.200 -0.021 0.000 2.153 10 E HA -0.208 4.143 4.350 0.002 0.000 0.194 10 E C 2.386 178.992 176.600 0.010 0.000 0.988 10 E CA 1.445 57.841 56.400 -0.007 0.000 0.811 10 E CB -0.235 29.461 29.700 -0.007 0.000 0.746 10 E HN 0.509 nan 8.360 nan 0.000 0.466 11 S N 0.752 116.457 115.700 0.008 0.000 2.383 11 S HA -0.119 4.353 4.470 0.002 0.000 0.227 11 S C 1.929 176.547 174.600 0.030 0.000 1.026 11 S CA 0.568 58.778 58.200 0.016 0.000 0.981 11 S CB -0.090 63.116 63.200 0.009 0.000 0.818 11 S HN 0.176 nan 8.310 nan 0.000 0.472 12 L N 1.882 123.125 121.223 0.034 0.000 2.046 12 L HA 0.042 4.383 4.340 0.002 0.000 0.208 12 L C 1.957 178.904 176.870 0.129 0.000 1.077 12 L CA 1.699 56.581 54.840 0.069 0.000 0.747 12 L CB -0.685 41.413 42.059 0.066 0.000 0.896 12 L HN 0.395 nan 8.230 nan 0.000 0.432 13 I N -0.939 119.703 120.570 0.119 0.000 2.226 13 I HA -0.300 3.871 4.170 0.002 0.000 0.245 13 I C 2.457 178.652 176.117 0.129 0.000 1.100 13 I CA 1.134 62.540 61.300 0.177 0.000 1.374 13 I CB -0.315 37.747 38.000 0.102 0.000 1.057 13 I HN 0.350 nan 8.210 nan 0.000 0.413 14 Q N 0.812 120.659 119.800 0.078 0.000 2.119 14 Q HA -0.177 4.165 4.340 0.002 0.000 0.201 14 Q C 1.969 177.992 176.000 0.037 0.000 0.972 14 Q CA 1.517 57.353 55.803 0.055 0.000 0.847 14 Q CB -0.109 28.652 28.738 0.039 0.000 0.903 14 Q HN 0.477 nan 8.270 nan 0.000 0.433 15 E N -1.108 119.113 120.200 0.035 0.000 2.072 15 E HA -0.122 4.229 4.350 0.002 0.000 0.191 15 E C 1.920 178.523 176.600 0.006 0.000 0.985 15 E CA 1.229 57.640 56.400 0.017 0.000 0.801 15 E CB 0.060 29.770 29.700 0.016 0.000 0.750 15 E HN 0.110 nan 8.360 nan 0.000 0.452 16 V N 1.386 121.305 119.914 0.008 0.000 2.358 16 V HA -0.220 3.902 4.120 0.002 0.000 0.246 16 V C 2.150 178.211 176.094 -0.056 0.000 1.047 16 V CA 1.378 63.656 62.300 -0.036 0.000 1.035 16 V CB -0.308 31.454 31.823 -0.102 0.000 0.658 16 V HN 0.287 nan 8.190 nan 0.000 0.452 17 L N -0.253 120.930 121.223 -0.067 0.000 2.551 17 L HA -0.089 4.252 4.340 0.002 0.000 0.228 17 L C 2.317 179.090 176.870 -0.161 0.000 1.153 17 L CA 0.810 55.554 54.840 -0.160 0.000 0.851 17 L CB -0.520 41.571 42.059 0.053 0.000 0.959 17 L HN 0.442 nan 8.230 nan 0.000 0.451 18 E N -0.447 119.694 120.200 -0.099 0.000 2.204 18 E HA -0.194 4.157 4.350 0.002 0.000 0.194 18 E C 2.218 178.761 176.600 -0.094 0.000 0.989 18 E CA 0.866 57.230 56.400 -0.061 0.000 0.824 18 E CB 0.022 29.706 29.700 -0.026 0.000 0.756 18 E HN 0.278 nan 8.360 nan 0.000 0.477 19 V N 0.815 120.609 119.914 -0.200 0.000 2.759 19 V HA -0.149 3.972 4.120 0.002 0.000 0.256 19 V C 0.187 176.203 176.094 -0.129 0.000 1.080 19 V CA 0.822 62.992 62.300 -0.217 0.000 1.101 19 V CB -0.316 31.283 31.823 -0.374 0.000 0.698 19 V HN 0.085 nan 8.190 nan 0.000 0.477 20 Y N 1.293 121.527 120.300 -0.110 0.000 2.480 20 Y HA 0.361 4.912 4.550 0.002 0.000 0.338 20 Y C -1.205 174.665 175.900 -0.051 0.000 1.220 20 Y CA -3.268 54.779 58.100 -0.088 0.000 1.430 20 Y CB -1.043 37.387 38.460 -0.049 0.000 1.311 20 Y HN 0.202 nan 8.280 nan 0.000 0.575 21 P HA -0.048 nan 4.420 nan 0.000 0.270 21 P C 0.699 178.042 177.300 0.072 0.000 1.221 21 P CA 0.041 63.177 63.100 0.061 0.000 0.788 21 P CB 0.764 32.475 31.700 0.019 0.000 0.904 22 E N 1.673 121.901 120.200 0.046 0.000 2.077 22 E HA -0.227 4.124 4.350 0.002 0.000 0.193 22 E C 1.718 178.342 176.600 0.039 0.000 0.989 22 E CA 1.725 58.153 56.400 0.046 0.000 0.800 22 E CB -0.338 29.380 29.700 0.031 0.000 0.746 22 E HN 0.333 nan 8.360 nan 0.000 0.452 23 K N -0.554 119.857 120.400 0.017 0.000 2.026 23 K HA -0.091 4.230 4.320 0.002 0.000 0.208 23 K C 2.022 178.616 176.600 -0.010 0.000 1.048 23 K CA 1.306 57.596 56.287 0.005 0.000 0.929 23 K CB -0.278 32.217 32.500 -0.008 0.000 0.713 23 K HN 0.167 nan 8.250 nan 0.000 0.439 24 A N 1.309 124.100 122.820 -0.049 0.000 1.969 24 A HA -0.135 4.186 4.320 0.002 0.000 0.218 24 A C 2.126 179.664 177.584 -0.078 0.000 1.169 24 A CA 1.164 53.107 52.037 -0.156 0.000 0.635 24 A CB -0.463 18.334 19.000 -0.339 0.000 0.810 24 A HN 0.307 nan 8.150 nan 0.000 0.445 25 R N -0.055 120.500 120.500 0.091 0.000 2.075 25 R HA -0.098 4.243 4.340 0.002 0.000 0.232 25 R C 2.013 178.405 176.300 0.153 0.000 1.126 25 R CA 1.669 57.908 56.100 0.231 0.000 0.963 25 R CB -0.208 30.213 30.300 0.203 0.000 0.858 25 R HN 0.522 nan 8.270 nan 0.000 0.435 26 K N -0.011 120.446 120.400 0.095 0.000 2.057 26 K HA -0.175 4.146 4.320 0.002 0.000 0.207 26 K C 1.747 178.403 176.600 0.094 0.000 1.049 26 K CA 1.786 58.121 56.287 0.080 0.000 0.931 26 K CB -0.191 32.341 32.500 0.054 0.000 0.714 26 K HN 0.163 nan 8.250 nan 0.000 0.440 27 D N 0.400 120.852 120.400 0.087 0.000 2.097 27 D HA -0.108 4.534 4.640 0.002 0.000 0.197 27 D C 1.906 178.341 176.300 0.225 0.000 0.984 27 D CA 0.974 55.051 54.000 0.128 0.000 0.826 27 D CB 0.282 41.122 40.800 0.068 0.000 0.973 27 D HN -0.066 nan 8.370 nan 0.000 0.460 28 R N 0.473 121.073 120.500 0.166 0.000 2.148 28 R HA -0.038 4.303 4.340 0.002 0.000 0.227 28 R C 1.932 178.401 176.300 0.282 0.000 1.103 28 R CA 0.348 56.591 56.100 0.237 0.000 0.983 28 R CB -1.131 29.324 30.300 0.258 0.000 0.874 28 R HN 0.434 nan 8.270 nan 0.000 0.451 29 N N 1.495 120.325 118.700 0.218 0.000 2.309 29 N HA -0.126 4.615 4.740 0.002 0.000 0.182 29 N C 0.980 176.559 175.510 0.115 0.000 1.018 29 N CA 0.891 54.039 53.050 0.163 0.000 0.876 29 N CB 0.210 38.769 38.487 0.120 0.000 0.972 29 N HN 0.255 nan 8.380 nan 0.000 0.434 30 K N -0.621 119.843 120.400 0.108 0.000 2.217 30 K HA -0.089 4.233 4.320 0.002 0.000 0.202 30 K C 0.745 177.246 176.600 -0.165 0.000 1.051 30 K CA 0.941 57.205 56.287 -0.039 0.000 0.952 30 K CB -0.051 32.394 32.500 -0.093 0.000 0.736 30 K HN 0.367 nan 8.250 nan 0.000 0.453 31 H N -0.453 118.644 119.070 0.046 0.000 2.551 31 H HA 0.245 4.802 4.556 0.002 0.000 0.271 31 H C -0.406 174.967 175.328 0.074 0.000 0.984 31 H CA 0.047 56.122 56.048 0.045 0.000 1.164 31 H CB 0.255 30.076 29.762 0.098 0.000 1.437 31 H HN -0.084 nan 8.280 nan 0.000 0.550 32 L N 0.901 122.222 121.223 0.164 0.000 2.325 32 L HA 0.744 5.085 4.340 0.002 0.000 0.281 32 L C -0.357 176.532 176.870 0.031 0.000 1.004 32 L CA -0.911 54.011 54.840 0.137 0.000 0.823 32 L CB 1.749 43.937 42.059 0.216 0.000 1.236 32 L HN 0.088 nan 8.230 nan 0.000 0.415 33 A N 3.090 125.895 122.820 -0.024 0.000 2.527 33 A HA 0.854 5.175 4.320 0.002 0.000 0.293 33 A C -1.185 176.354 177.584 -0.075 0.000 1.117 33 A CA -0.540 51.465 52.037 -0.053 0.000 0.723 33 A CB 2.111 21.069 19.000 -0.070 0.000 1.313 33 A HN 0.312 nan 8.150 nan 0.000 0.411 34 V N 2.486 122.362 119.914 -0.063 0.000 2.347 34 V HA 0.252 4.374 4.120 0.002 0.000 0.280 34 V C 0.498 176.559 176.094 -0.055 0.000 1.021 34 V CA -0.823 61.437 62.300 -0.066 0.000 0.847 34 V CB 1.216 33.008 31.823 -0.053 0.000 0.990 34 V HN 0.891 nan 8.190 nan 0.000 0.444 35 N N 3.523 122.188 118.700 -0.058 0.000 2.492 35 N HA 0.026 4.767 4.740 0.002 0.000 0.262 35 N C -1.107 174.382 175.510 -0.035 0.000 1.202 35 N CA -0.029 52.995 53.050 -0.043 0.000 0.926 35 N CB 0.864 39.324 38.487 -0.045 0.000 1.078 35 N HN 0.698 nan 8.380 nan 0.000 0.454 36 D N 3.853 124.237 120.400 -0.027 0.000 2.481 36 D HA 0.336 4.977 4.640 0.002 0.000 0.246 36 D C -2.047 174.241 176.300 -0.020 0.000 1.109 36 D CA -2.100 51.886 54.000 -0.024 0.000 0.845 36 D CB 2.010 42.797 40.800 -0.022 0.000 1.160 36 D HN 0.298 nan 8.370 nan 0.000 0.534 37 P HA 0.015 nan 4.420 nan 0.000 0.221 37 P C 0.923 178.211 177.300 -0.019 0.000 1.150 37 P CA 0.742 63.829 63.100 -0.022 0.000 0.800 37 P CB 0.390 32.075 31.700 -0.025 0.000 0.787 38 A N -0.571 122.238 122.820 -0.019 0.000 1.930 38 A HA -0.044 4.277 4.320 0.002 0.000 0.217 38 A C 1.106 178.681 177.584 -0.016 0.000 1.175 38 A CA 0.805 52.832 52.037 -0.017 0.000 0.627 38 A CB -1.258 17.732 19.000 -0.017 0.000 0.815 38 A HN 0.025 nan 8.150 nan 0.000 0.443 39 V N 1.472 121.377 119.914 -0.015 0.000 2.529 39 V HA 0.146 4.267 4.120 0.002 0.000 0.292 39 V C 1.590 177.678 176.094 -0.010 0.000 1.028 39 V CA 1.043 63.335 62.300 -0.013 0.000 1.074 39 V CB 0.836 32.650 31.823 -0.014 0.000 0.958 39 V HN 0.640 nan 8.190 nan 0.000 0.481 40 T N 0.989 115.536 114.554 -0.011 0.000 3.054 40 T HA 0.210 4.561 4.350 0.002 0.000 0.255 40 T C 0.460 175.157 174.700 -0.005 0.000 1.035 40 T CA -0.083 62.011 62.100 -0.010 0.000 0.941 40 T CB 0.096 68.956 68.868 -0.014 0.000 1.026 40 T HN 0.623 nan 8.240 nan 0.000 0.533 41 Q N 1.913 121.710 119.800 -0.005 0.000 2.425 41 Q HA 0.398 4.739 4.340 0.002 0.000 0.254 41 Q C 0.750 176.747 176.000 -0.004 0.000 1.032 41 Q CA -0.440 55.361 55.803 -0.002 0.000 0.798 41 Q CB 1.740 30.475 28.738 -0.005 0.000 1.210 41 Q HN 0.480 nan 8.270 nan 0.000 0.491 42 S N 1.887 117.591 115.700 0.006 0.000 2.447 42 S HA -0.107 4.364 4.470 0.002 0.000 0.233 42 S C 1.491 176.067 174.600 -0.041 0.000 1.006 42 S CA 0.495 58.694 58.200 -0.001 0.000 0.957 42 S CB 0.117 63.351 63.200 0.057 0.000 0.773 42 S HN 0.398 nan 8.310 nan 0.000 0.507 43 K N 1.723 122.106 120.400 -0.027 0.000 2.097 43 K HA -0.001 4.320 4.320 0.002 0.000 0.206 43 K C 2.058 178.628 176.600 -0.050 0.000 1.049 43 K CA 1.153 57.415 56.287 -0.041 0.000 0.933 43 K CB -0.259 32.230 32.500 -0.019 0.000 0.717 43 K HN 0.486 nan 8.250 nan 0.000 0.442 44 K N -0.040 120.338 120.400 -0.037 0.000 2.057 44 K HA -0.110 4.211 4.320 0.002 0.000 0.207 44 K C 2.160 178.731 176.600 -0.048 0.000 1.049 44 K CA 1.566 57.831 56.287 -0.036 0.000 0.931 44 K CB -0.030 32.456 32.500 -0.025 0.000 0.714 44 K HN 0.156 nan 8.250 nan 0.000 0.440 45 C N -0.028 119.238 119.300 -0.057 0.000 2.735 45 C HA 0.396 4.857 4.460 0.002 0.000 0.271 45 C C 0.940 175.865 174.990 -0.107 0.000 1.281 45 C CA -0.629 58.348 59.018 -0.068 0.000 1.719 45 C CB -0.288 27.419 27.740 -0.055 0.000 2.024 45 C HN 0.357 nan 8.230 nan 0.000 0.566 46 I N -0.486 119.993 120.570 -0.152 0.000 2.984 46 I HA 0.521 4.692 4.170 0.002 0.000 0.303 46 I C -2.124 173.822 176.117 -0.286 0.000 1.381 46 I CA -0.696 60.462 61.300 -0.238 0.000 0.988 46 I CB 1.920 39.716 38.000 -0.341 0.000 1.307 46 I HN -0.131 nan 8.210 nan 0.000 0.460 47 I N 4.458 124.801 120.570 -0.378 0.000 2.569 47 I HA 0.673 4.844 4.170 0.002 0.000 0.296 47 I C -0.537 175.353 176.117 -0.378 0.000 1.028 47 I CA 0.058 61.139 61.300 -0.365 0.000 1.082 47 I CB 1.942 39.737 38.000 -0.342 0.000 1.264 47 I HN 0.634 nan 8.210 nan 0.000 0.429 48 S N 4.416 120.051 115.700 -0.108 0.000 2.806 48 S HA 0.502 4.973 4.470 0.002 0.000 0.306 48 S C -0.010 174.688 174.600 0.162 0.000 1.167 48 S CA -0.488 57.793 58.200 0.135 0.000 0.847 48 S CB 1.114 64.432 63.200 0.196 0.000 1.216 48 S HN 0.875 nan 8.310 nan 0.000 0.532 49 N N 0.386 119.216 118.700 0.217 0.000 2.725 49 N HA -0.148 4.593 4.740 0.002 0.000 0.251 49 N C -1.052 174.514 175.510 0.094 0.000 1.031 49 N CA 0.486 53.606 53.050 0.116 0.000 0.720 49 N CB -0.583 37.812 38.487 -0.153 0.000 0.930 49 N HN 0.459 nan 8.380 nan 0.000 0.543 50 K N 1.024 121.526 120.400 0.169 0.000 2.352 50 K HA 0.351 4.672 4.320 0.002 0.000 0.240 50 K C -0.121 176.539 176.600 0.100 0.000 1.017 50 K CA -0.613 55.759 56.287 0.142 0.000 0.851 50 K CB 1.008 33.648 32.500 0.233 0.000 1.261 50 K HN 0.291 nan 8.250 nan 0.000 0.451 51 K N 0.112 120.553 120.400 0.069 0.000 2.295 51 K HA 0.263 4.584 4.320 0.002 0.000 0.270 51 K C -0.246 176.363 176.600 0.014 0.000 1.011 51 K CA -0.206 56.109 56.287 0.047 0.000 0.953 51 K CB 0.472 32.995 32.500 0.039 0.000 0.956 51 K HN 0.223 nan 8.250 nan 0.000 0.477 52 S N 2.569 118.281 115.700 0.019 0.000 2.549 52 S HA 0.000 4.471 4.470 0.002 0.000 0.283 52 S C -0.083 174.499 174.600 -0.029 0.000 1.320 52 S CA -0.646 57.550 58.200 -0.006 0.000 1.058 52 S CB 0.620 63.839 63.200 0.031 0.000 0.882 52 S HN 0.463 nan 8.310 nan 0.000 0.498 53 Q N 3.671 123.430 119.800 -0.068 0.000 2.313 53 Q HA 0.203 4.544 4.340 0.002 0.000 0.266 53 Q C -1.953 174.006 176.000 -0.070 0.000 0.989 53 Q CA -1.619 54.132 55.803 -0.087 0.000 0.890 53 Q CB 0.091 28.734 28.738 -0.159 0.000 1.200 53 Q HN 0.454 nan 8.270 nan 0.000 0.396 54 P HA 0.048 nan 4.420 nan 0.000 0.271 54 P C 0.335 177.607 177.300 -0.047 0.000 1.216 54 P CA 0.277 63.354 63.100 -0.038 0.000 0.776 54 P CB 0.647 32.329 31.700 -0.030 0.000 0.881 55 G N 2.204 110.987 108.800 -0.029 0.000 2.168 55 G HA2 -0.250 3.711 3.960 0.002 0.000 0.257 55 G HA3 -0.250 3.711 3.960 0.002 0.000 0.257 55 G C 0.411 175.293 174.900 -0.031 0.000 0.997 55 G CA 0.257 45.341 45.100 -0.027 0.000 0.708 55 G HN 0.531 nan 8.290 nan 0.000 0.520 56 L N -0.741 120.461 121.223 -0.034 0.000 2.818 56 L HA 0.492 4.833 4.340 0.002 0.000 0.243 56 L C 1.483 178.370 176.870 0.029 0.000 1.185 56 L CA -0.110 54.715 54.840 -0.024 0.000 0.988 56 L CB 0.147 42.151 42.059 -0.092 0.000 1.292 56 L HN 0.380 nan 8.230 nan 0.000 0.519 57 M N 1.123 120.743 119.600 0.032 0.000 2.399 57 M HA -0.185 4.296 4.480 0.002 0.000 0.191 57 M C 0.392 176.739 176.300 0.078 0.000 0.732 57 M CA 0.507 55.838 55.300 0.052 0.000 0.512 57 M CB -0.750 31.882 32.600 0.054 0.000 1.191 57 M HN 0.362 nan 8.290 nan 0.000 0.894 58 T N -0.448 114.156 114.554 0.082 0.000 2.899 58 T HA 0.431 4.782 4.350 0.002 0.000 0.295 58 T C 0.962 175.752 174.700 0.151 0.000 1.033 58 T CA -0.305 61.870 62.100 0.124 0.000 1.084 58 T CB 0.627 69.564 68.868 0.114 0.000 0.979 58 T HN 0.444 nan 8.240 nan 0.000 0.532 59 I N 2.166 122.874 120.570 0.229 0.000 3.793 59 I HA 0.180 4.351 4.170 0.002 0.000 0.315 59 I C 1.451 177.706 176.117 0.230 0.000 1.275 59 I CA -0.057 61.394 61.300 0.251 0.000 1.214 59 I CB -0.001 38.256 38.000 0.429 0.000 1.018 59 I HN 0.431 nan 8.210 nan 0.000 0.439 60 R N 1.151 121.790 120.500 0.232 0.000 2.643 60 R HA 0.272 4.613 4.340 0.002 0.000 0.270 60 R C 0.634 177.036 176.300 0.169 0.000 1.061 60 R CA 0.090 56.332 56.100 0.236 0.000 1.107 60 R CB 0.578 31.020 30.300 0.236 0.000 0.999 60 R HN 0.163 nan 8.270 nan 0.000 0.460 61 G N 0.766 109.668 108.800 0.169 0.000 2.606 61 G HA2 0.387 4.348 3.960 0.002 0.000 0.262 61 G HA3 0.387 4.348 3.960 0.002 0.000 0.262 61 G C -0.270 174.671 174.900 0.068 0.000 1.394 61 G CA -0.569 44.594 45.100 0.105 0.000 1.044 61 G HN 0.820 nan 8.290 nan 0.000 0.553 62 C N -3.211 116.120 119.300 0.050 0.000 2.656 62 C HA 0.829 5.290 4.460 0.002 0.000 0.404 62 C C 2.079 177.052 174.990 -0.027 0.000 1.423 62 C CA 0.182 59.216 59.018 0.028 0.000 1.784 62 C CB 1.239 29.014 27.740 0.058 0.000 2.093 62 C HN 1.008 nan 8.230 nan 0.000 0.492 63 A N -0.501 122.293 122.820 -0.045 0.000 1.969 63 A HA -0.061 4.261 4.320 0.002 0.000 0.218 63 A C 1.903 179.452 177.584 -0.059 0.000 1.169 63 A CA 1.825 53.806 52.037 -0.093 0.000 0.635 63 A CB -1.108 17.826 19.000 -0.110 0.000 0.810 63 A HN 1.210 nan 8.150 nan 0.000 0.445 64 Y N 0.548 120.777 120.300 -0.119 0.000 2.200 64 Y HA -0.044 4.507 4.550 0.002 0.000 0.290 64 Y C 2.492 178.352 175.900 -0.065 0.000 1.137 64 Y CA 1.312 59.355 58.100 -0.096 0.000 1.163 64 Y CB -0.411 37.993 38.460 -0.093 0.000 0.988 64 Y HN 0.282 nan 8.280 nan 0.000 0.518 65 A N 0.385 123.184 122.820 -0.034 0.000 1.930 65 A HA -0.036 4.285 4.320 0.002 0.000 0.217 65 A C 2.434 179.905 177.584 -0.188 0.000 1.175 65 A CA 1.515 53.478 52.037 -0.122 0.000 0.627 65 A CB -1.673 17.352 19.000 0.041 0.000 0.815 65 A HN 0.611 nan 8.150 nan 0.000 0.443 66 G N -1.032 107.661 108.800 -0.178 0.000 2.418 66 G HA2 -0.156 3.805 3.960 0.002 0.000 0.217 66 G HA3 -0.156 3.805 3.960 0.002 0.000 0.217 66 G C 1.929 176.780 174.900 -0.081 0.000 1.158 66 G CA 1.544 46.526 45.100 -0.197 0.000 0.771 66 G HN 0.560 nan 8.290 nan 0.000 0.545 67 S N -0.517 115.111 115.700 -0.121 0.000 2.341 67 S HA 0.020 4.491 4.470 0.002 0.000 0.216 67 S C 2.269 176.824 174.600 -0.074 0.000 1.034 67 S CA 1.472 59.658 58.200 -0.023 0.000 0.964 67 S CB -0.255 62.936 63.200 -0.015 0.000 0.882 67 S HN 0.234 nan 8.310 nan 0.000 0.469 68 K N 0.722 120.906 120.400 -0.361 0.000 2.007 68 K HA 0.004 4.325 4.320 0.002 0.000 0.206 68 K C 2.146 178.544 176.600 -0.336 0.000 1.047 68 K CA 1.604 57.635 56.287 -0.427 0.000 0.937 68 K CB -1.204 30.799 32.500 -0.828 0.000 0.718 68 K HN 0.428 nan 8.250 nan 0.000 0.438 69 G N 0.773 109.357 108.800 -0.361 0.000 2.402 69 G HA2 -0.141 3.820 3.960 0.002 0.000 0.216 69 G HA3 -0.141 3.820 3.960 0.002 0.000 0.216 69 G C 1.618 176.406 174.900 -0.186 0.000 1.162 69 G CA 0.883 45.860 45.100 -0.204 0.000 0.777 69 G HN 0.198 nan 8.290 nan 0.000 0.539 70 V N -0.057 119.728 119.914 -0.215 0.000 2.278 70 V HA -0.044 4.077 4.120 0.002 0.000 0.238 70 V C 2.854 178.725 176.094 -0.373 0.000 1.039 70 V CA 1.331 63.446 62.300 -0.309 0.000 1.017 70 V CB -0.217 31.458 31.823 -0.247 0.000 0.657 70 V HN 0.205 nan 8.190 nan 0.000 0.462 71 V N -1.680 118.092 119.914 -0.237 0.000 2.331 71 V HA -0.138 3.983 4.120 0.002 0.000 0.242 71 V C 2.037 177.952 176.094 -0.299 0.000 1.034 71 V CA 1.702 63.875 62.300 -0.212 0.000 1.027 71 V CB -0.663 31.042 31.823 -0.196 0.000 0.667 71 V HN 0.613 nan 8.190 nan 0.000 0.457 72 W N 0.835 121.998 121.300 -0.230 0.000 2.443 72 W HA 0.135 4.796 4.660 0.001 0.000 0.296 72 W C 2.569 178.634 176.519 -0.756 0.000 1.202 72 W CA 1.161 58.277 57.345 -0.382 0.000 1.312 72 W CB -1.002 28.242 29.460 -0.361 0.000 1.120 72 W HN 0.272 nan 8.180 nan 0.000 0.536 73 G N 0.856 109.404 108.800 -0.419 0.000 2.469 73 G HA2 -0.242 3.719 3.960 0.002 0.000 0.220 73 G HA3 -0.242 3.719 3.960 0.002 0.000 0.220 73 G C -0.897 173.888 174.900 -0.190 0.000 1.136 73 G CA 1.093 45.948 45.100 -0.409 0.000 0.759 73 G HN 0.164 nan 8.290 nan 0.000 0.562 74 P HA 0.031 nan 4.420 nan 0.000 0.221 74 P C 0.685 177.979 177.300 -0.009 0.000 1.150 74 P CA 0.372 63.455 63.100 -0.027 0.000 0.800 74 P CB 0.076 31.799 31.700 0.039 0.000 0.787 75 I N 1.551 122.132 120.570 0.018 0.000 2.671 75 I HA -0.105 4.066 4.170 0.002 0.000 0.285 75 I C 1.932 178.137 176.117 0.147 0.000 1.148 75 I CA 0.266 61.611 61.300 0.076 0.000 1.386 75 I CB 0.355 38.425 38.000 0.116 0.000 1.406 75 I HN 0.068 nan 8.210 nan 0.000 0.540 76 K N 4.973 125.392 120.400 0.031 0.000 2.097 76 K HA -0.162 4.159 4.320 0.002 0.000 0.205 76 K C 0.728 177.370 176.600 0.070 0.000 1.050 76 K CA 1.437 57.702 56.287 -0.037 0.000 0.938 76 K CB -0.104 32.332 32.500 -0.107 0.000 0.718 76 K HN 0.668 nan 8.250 nan 0.000 0.442 77 D N 0.480 120.943 120.400 0.106 0.000 2.370 77 D HA 0.107 4.748 4.640 0.002 0.000 0.230 77 D C 0.215 176.632 176.300 0.196 0.000 1.143 77 D CA 0.058 54.176 54.000 0.196 0.000 0.834 77 D CB -0.021 40.852 40.800 0.121 0.000 0.944 77 D HN 0.230 nan 8.370 nan 0.000 0.504 78 M N 0.007 119.642 119.600 0.058 0.000 2.662 78 M HA 0.468 4.949 4.480 0.002 0.000 0.310 78 M C -0.776 175.180 176.300 -0.574 0.000 1.204 78 M CA -0.916 54.223 55.300 -0.269 0.000 0.891 78 M CB 3.001 35.414 32.600 -0.312 0.000 1.732 78 M HN -0.235 nan 8.290 nan 0.000 0.467 79 I N 1.792 121.844 120.570 -0.864 0.000 2.362 79 I HA 0.281 4.453 4.170 0.002 0.000 0.289 79 I C -0.767 174.795 176.117 -0.925 0.000 0.994 79 I CA -0.717 59.923 61.300 -1.100 0.000 1.158 79 I CB 1.016 38.075 38.000 -1.570 0.000 1.315 79 I HN 0.508 nan 8.210 nan 0.000 0.451 80 H N 7.042 125.896 119.070 -0.359 0.000 2.556 80 H HA 0.377 4.933 4.556 0.002 0.000 0.310 80 H C -0.312 174.940 175.328 -0.126 0.000 1.057 80 H CA -0.607 55.321 56.048 -0.199 0.000 1.264 80 H CB 1.568 31.298 29.762 -0.053 0.000 1.404 80 H HN 0.274 nan 8.280 nan 0.000 0.462 81 I N 2.705 123.221 120.570 -0.089 0.000 2.312 81 I HA 0.019 4.190 4.170 0.002 0.000 0.291 81 I C 0.679 176.835 176.117 0.065 0.000 1.031 81 I CA -0.187 61.102 61.300 -0.019 0.000 1.293 81 I CB 0.743 38.666 38.000 -0.129 0.000 1.403 81 I HN 0.331 nan 8.210 nan 0.000 0.484 82 S N 5.896 121.680 115.700 0.140 0.000 2.411 82 S HA 0.118 4.589 4.470 0.002 0.000 0.304 82 S C -0.054 174.608 174.600 0.104 0.000 1.098 82 S CA -0.218 58.079 58.200 0.162 0.000 1.068 82 S CB -0.462 62.832 63.200 0.156 0.000 1.032 82 S HN 0.415 nan 8.310 nan 0.000 0.511 83 H N 2.402 121.430 119.070 -0.069 0.000 2.705 83 H HA 0.622 5.180 4.556 0.002 0.000 0.291 83 H C 0.578 175.704 175.328 -0.336 0.000 1.085 83 H CA 1.110 57.066 56.048 -0.154 0.000 1.357 83 H CB -0.016 29.660 29.762 -0.143 0.000 1.419 83 H HN 0.817 nan 8.280 nan 0.000 0.462 84 G N 4.187 112.632 108.800 -0.591 0.000 2.302 84 G HA2 -0.056 3.905 3.960 0.002 0.000 0.264 84 G HA3 -0.056 3.905 3.960 0.002 0.000 0.264 84 G C -2.906 171.776 174.900 -0.363 0.000 1.335 84 G CA -0.959 43.635 45.100 -0.843 0.000 0.982 84 G HN 0.497 nan 8.290 nan 0.000 0.473 85 P HA 0.333 nan 4.420 nan 0.000 0.272 85 P C 1.130 178.375 177.300 -0.091 0.000 1.240 85 P CA -0.150 62.913 63.100 -0.061 0.000 0.791 85 P CB 1.256 32.924 31.700 -0.054 0.000 0.978 86 V N 1.918 121.799 119.914 -0.055 0.000 2.759 86 V HA -0.124 3.997 4.120 0.002 0.000 0.256 86 V C 2.020 177.997 176.094 -0.196 0.000 1.080 86 V CA 2.672 64.916 62.300 -0.092 0.000 1.101 86 V CB -1.459 30.330 31.823 -0.057 0.000 0.698 86 V HN 0.765 nan 8.190 nan 0.000 0.477 87 G N -0.665 108.003 108.800 -0.219 0.000 2.421 87 G HA2 -0.293 3.668 3.960 0.002 0.000 0.216 87 G HA3 -0.293 3.668 3.960 0.002 0.000 0.216 87 G C 1.734 176.281 174.900 -0.589 0.000 1.171 87 G CA 1.346 46.181 45.100 -0.442 0.000 0.775 87 G HN 0.609 nan 8.290 nan 0.000 0.543 88 C N 0.971 120.083 119.300 -0.314 0.000 2.398 88 C HA 0.034 4.495 4.460 0.002 0.000 0.276 88 C C 3.226 178.139 174.990 -0.129 0.000 1.222 88 C CA 0.622 59.477 59.018 -0.272 0.000 1.746 88 C CB -1.380 25.954 27.740 -0.677 0.000 2.039 88 C HN 0.467 nan 8.230 nan 0.000 0.470 89 G N -0.438 108.290 108.800 -0.119 0.000 2.422 89 G HA2 -0.221 3.741 3.960 0.002 0.000 0.218 89 G HA3 -0.221 3.741 3.960 0.002 0.000 0.218 89 G C 1.592 176.464 174.900 -0.047 0.000 1.140 89 G CA 1.096 46.213 45.100 0.028 0.000 0.775 89 G HN 0.576 nan 8.290 nan 0.000 0.545 90 Q N -0.282 119.393 119.800 -0.208 0.000 2.079 90 Q HA -0.060 4.282 4.340 0.002 0.000 0.200 90 Q C 2.122 178.022 176.000 -0.166 0.000 0.974 90 Q CA 1.243 56.908 55.803 -0.229 0.000 0.840 90 Q CB -0.403 28.123 28.738 -0.354 0.000 0.898 90 Q HN 0.559 nan 8.270 nan 0.000 0.430 91 Y N -0.237 120.088 120.300 0.043 0.000 2.439 91 Y HA 0.004 4.555 4.550 0.002 0.000 0.292 91 Y C 2.301 178.243 175.900 0.070 0.000 1.130 91 Y CA 1.054 59.184 58.100 0.050 0.000 1.254 91 Y CB -0.500 37.985 38.460 0.043 0.000 1.000 91 Y HN 0.271 nan 8.280 nan 0.000 0.554 92 S N -0.594 115.213 115.700 0.178 0.000 2.556 92 S HA 0.082 4.553 4.470 0.002 0.000 0.216 92 S C 0.941 175.604 174.600 0.104 0.000 0.970 92 S CA -0.578 57.714 58.200 0.153 0.000 0.912 92 S CB -0.153 63.158 63.200 0.186 0.000 0.790 92 S HN 0.258 nan 8.310 nan 0.000 0.504 93 R N 1.851 122.400 120.500 0.083 0.000 2.446 93 R HA 0.339 4.680 4.340 0.002 0.000 0.325 93 R C 0.714 177.061 176.300 0.078 0.000 0.997 93 R CA 0.791 56.929 56.100 0.065 0.000 1.010 93 R CB -0.452 29.866 30.300 0.031 0.000 0.946 93 R HN 0.498 nan 8.270 nan 0.000 0.422 94 A N 3.080 125.952 122.820 0.087 0.000 2.847 94 A HA -0.212 4.109 4.320 0.002 0.000 0.263 94 A C 1.287 178.938 177.584 0.113 0.000 1.391 94 A CA 1.204 53.305 52.037 0.106 0.000 0.866 94 A CB -2.119 16.942 19.000 0.101 0.000 1.057 94 A HN 0.973 nan 8.150 nan 0.000 0.673 95 G N -0.813 108.048 108.800 0.102 0.000 2.402 95 G HA2 0.073 4.034 3.960 0.002 0.000 0.216 95 G HA3 0.073 4.034 3.960 0.002 0.000 0.216 95 G C 0.777 175.735 174.900 0.096 0.000 1.162 95 G CA 0.978 46.141 45.100 0.104 0.000 0.777 95 G HN 0.859 nan 8.290 nan 0.000 0.539 96 R N 0.442 120.983 120.500 0.069 0.000 2.312 96 R HA 0.376 4.717 4.340 0.002 0.000 0.311 96 R C -0.291 176.053 176.300 0.073 0.000 1.004 96 R CA -0.648 55.472 56.100 0.034 0.000 0.902 96 R CB 0.596 30.889 30.300 -0.012 0.000 1.073 96 R HN 0.033 nan 8.270 nan 0.000 0.457 97 R N 3.468 123.999 120.500 0.051 0.000 4.496 97 R HA 0.078 4.419 4.340 0.002 0.000 0.211 97 R C -0.412 175.924 176.300 0.060 0.000 1.738 97 R CA -0.084 56.093 56.100 0.128 0.000 1.528 97 R CB -0.335 30.018 30.300 0.089 0.000 1.414 97 R HN 0.589 nan 8.270 nan 0.000 0.812 98 N N 1.697 120.478 118.700 0.134 0.000 2.482 98 N HA 0.027 4.768 4.740 0.002 0.000 0.242 98 N C -0.752 174.928 175.510 0.283 0.000 1.100 98 N CA -0.405 52.702 53.050 0.094 0.000 0.946 98 N CB 0.586 39.118 38.487 0.075 0.000 1.227 98 N HN 0.061 nan 8.380 nan 0.000 0.508 99 Y N 2.312 122.551 120.300 -0.102 0.000 2.497 99 Y HA 0.072 4.624 4.550 0.004 0.000 0.334 99 Y C 0.370 176.213 175.900 -0.095 0.000 1.199 99 Y CA -0.830 57.179 58.100 -0.152 0.000 1.425 99 Y CB -0.039 38.180 38.460 -0.403 0.000 1.291 99 Y HN 0.504 nan 8.280 nan 0.000 0.562 100 Y N 0.079 120.449 120.300 0.118 0.000 2.655 100 Y HA 0.714 5.265 4.550 0.003 0.000 0.336 100 Y C -1.751 174.376 175.900 0.380 0.000 1.154 100 Y CA -1.872 56.393 58.100 0.275 0.000 1.055 100 Y CB 0.981 39.533 38.460 0.154 0.000 1.295 100 Y HN 0.229 nan 8.280 nan 0.000 0.465 101 I N 2.347 123.177 120.570 0.434 0.000 2.362 101 I HA 0.786 4.957 4.170 0.002 0.000 0.289 101 I C 0.294 176.545 176.117 0.223 0.000 0.994 101 I CA -0.141 61.268 61.300 0.181 0.000 1.158 101 I CB 0.660 38.734 38.000 0.123 0.000 1.315 101 I HN 0.997 nan 8.210 nan 0.000 0.451 102 G N 4.211 113.079 108.800 0.114 0.000 2.349 102 G HA2 0.368 4.329 3.960 0.002 0.000 0.294 102 G HA3 0.368 4.329 3.960 0.002 0.000 0.294 102 G C -1.475 173.472 174.900 0.079 0.000 1.380 102 G CA -0.432 44.763 45.100 0.159 0.000 0.811 102 G HN 0.295 nan 8.290 nan 0.000 0.519 103 T N 1.789 116.367 114.554 0.040 0.000 2.963 103 T HA 0.500 4.851 4.350 0.002 0.000 0.343 103 T C 0.192 174.879 174.700 -0.022 0.000 1.146 103 T CA -0.178 61.928 62.100 0.010 0.000 1.016 103 T CB 0.707 69.572 68.868 -0.004 0.000 1.046 103 T HN 0.580 nan 8.240 nan 0.000 0.496 104 T N 2.616 117.195 114.554 0.042 0.000 2.867 104 T HA 0.381 4.732 4.350 0.002 0.000 0.297 104 T C 1.564 176.291 174.700 0.046 0.000 0.989 104 T CA 0.962 63.085 62.100 0.039 0.000 1.159 104 T CB 0.407 69.360 68.868 0.141 0.000 0.928 104 T HN 0.940 nan 8.240 nan 0.000 0.538 105 G N 2.038 110.860 108.800 0.036 0.000 2.225 105 G HA2 -0.285 3.677 3.960 0.002 0.000 0.254 105 G HA3 -0.285 3.677 3.960 0.002 0.000 0.254 105 G C 0.755 175.866 174.900 0.352 0.000 0.988 105 G CA 0.291 45.601 45.100 0.350 0.000 0.625 105 G HN 0.624 nan 8.290 nan 0.000 0.527 106 V N 1.130 121.061 119.914 0.028 0.000 2.735 106 V HA 0.175 4.296 4.120 0.002 0.000 0.234 106 V C 1.979 178.070 176.094 -0.004 0.000 1.121 106 V CA 1.895 64.252 62.300 0.095 0.000 1.160 106 V CB 0.053 31.903 31.823 0.045 0.000 0.908 106 V HN 0.652 nan 8.190 nan 0.000 0.495 107 N N 0.355 118.893 118.700 -0.269 0.000 2.145 107 N HA 0.259 5.000 4.740 0.002 0.000 0.219 107 N C 0.030 175.167 175.510 -0.622 0.000 1.266 107 N CA 0.617 53.520 53.050 -0.245 0.000 0.902 107 N CB 1.431 39.890 38.487 -0.047 0.000 1.078 107 N HN 0.384 nan 8.380 nan 0.000 0.513 108 A N 0.264 122.542 122.820 -0.902 0.000 2.355 108 A HA 0.712 5.034 4.320 0.002 0.000 0.317 108 A C -1.230 175.759 177.584 -0.992 0.000 1.094 108 A CA -0.594 51.032 52.037 -0.685 0.000 0.764 108 A CB 0.618 19.558 19.000 -0.099 0.000 1.230 108 A HN 0.137 nan 8.150 nan 0.000 0.448 109 F N 1.602 121.533 119.950 -0.032 0.000 2.880 109 F HA 0.152 4.681 4.527 0.004 0.000 0.328 109 F C 1.445 177.260 175.800 0.025 0.000 1.146 109 F CA -0.137 57.892 58.000 0.049 0.000 1.135 109 F CB 0.073 39.130 39.000 0.095 0.000 1.151 109 F HN 0.339 nan 8.300 nan 0.000 0.523 110 V N 0.537 120.403 119.914 -0.079 0.000 2.317 110 V HA -0.346 3.775 4.120 0.002 0.000 0.251 110 V C 2.496 178.629 176.094 0.064 0.000 1.065 110 V CA 2.876 65.111 62.300 -0.108 0.000 1.049 110 V CB -1.107 30.380 31.823 -0.560 0.000 0.651 110 V HN 0.611 nan 8.190 nan 0.000 0.450 111 T N -3.367 111.267 114.554 0.134 0.000 3.148 111 T HA 0.181 4.532 4.350 0.002 0.000 0.253 111 T C 0.566 175.314 174.700 0.081 0.000 1.134 111 T CA 0.192 62.379 62.100 0.145 0.000 1.051 111 T CB -0.267 68.708 68.868 0.178 0.000 0.959 111 T HN 0.302 nan 8.240 nan 0.000 0.525 112 M N 2.365 122.005 119.600 0.068 0.000 2.288 112 M HA 0.370 4.851 4.480 0.002 0.000 0.334 112 M C -0.030 176.191 176.300 -0.131 0.000 1.150 112 M CA -0.629 54.619 55.300 -0.087 0.000 1.118 112 M CB 0.765 33.239 32.600 -0.210 0.000 1.501 112 M HN -0.003 nan 8.290 nan 0.000 0.462 113 N N 2.147 120.684 118.700 -0.272 0.000 2.518 113 N HA 0.388 5.129 4.740 0.002 0.000 0.254 113 N C -2.081 173.245 175.510 -0.306 0.000 0.979 113 N CA -0.217 52.735 53.050 -0.163 0.000 0.930 113 N CB 0.393 38.828 38.487 -0.086 0.000 1.152 113 N HN 0.353 nan 8.380 nan 0.000 0.505 114 F N 1.392 121.330 119.950 -0.021 0.000 2.427 114 F HA 0.524 5.052 4.527 0.001 0.000 0.346 114 F C 1.049 176.843 175.800 -0.010 0.000 1.120 114 F CA -0.439 57.535 58.000 -0.044 0.000 1.033 114 F CB 2.116 41.044 39.000 -0.119 0.000 1.126 114 F HN 0.231 nan 8.300 nan 0.000 0.462 115 T N -0.073 114.578 114.554 0.162 0.000 2.853 115 T HA 0.287 4.638 4.350 0.002 0.000 0.311 115 T C 0.492 175.283 174.700 0.152 0.000 1.307 115 T CA -0.332 61.846 62.100 0.130 0.000 1.019 115 T CB 1.290 70.196 68.868 0.064 0.000 1.264 115 T HN 0.542 nan 8.240 nan 0.000 0.497 116 S N 1.715 117.541 115.700 0.209 0.000 2.527 116 S HA 0.116 4.587 4.470 0.002 0.000 0.222 116 S C 0.675 175.439 174.600 0.274 0.000 0.985 116 S CA 0.888 59.268 58.200 0.299 0.000 0.921 116 S CB -0.577 62.970 63.200 0.579 0.000 0.772 116 S HN 1.010 nan 8.310 nan 0.000 0.529 117 D N 0.656 121.174 120.400 0.196 0.000 2.803 117 D HA -0.197 4.444 4.640 0.002 0.000 0.233 117 D C -1.054 175.380 176.300 0.223 0.000 1.182 117 D CA 0.207 54.296 54.000 0.149 0.000 0.726 117 D CB -1.960 38.889 40.800 0.082 0.000 0.987 117 D HN 0.272 nan 8.370 nan 0.000 0.412 118 F N 1.009 120.933 119.950 -0.043 0.000 2.608 118 F HA 0.185 4.713 4.527 0.002 0.000 0.380 118 F C 1.548 177.331 175.800 -0.028 0.000 1.083 118 F CA 0.272 58.246 58.000 -0.044 0.000 1.266 118 F CB 0.561 39.513 39.000 -0.080 0.000 1.076 118 F HN 0.156 nan 8.300 nan 0.000 0.574 119 Q N 1.792 121.598 119.800 0.008 0.000 2.286 119 Q HA 0.176 4.517 4.340 0.002 0.000 0.250 119 Q C 1.190 177.186 176.000 -0.006 0.000 1.021 119 Q CA -0.591 55.212 55.803 -0.001 0.000 0.930 119 Q CB 0.847 29.564 28.738 -0.035 0.000 1.266 119 Q HN 0.705 nan 8.270 nan 0.000 0.491 120 E N 0.562 120.767 120.200 0.008 0.000 2.150 120 E HA -0.174 4.178 4.350 0.002 0.000 0.193 120 E C 1.379 177.986 176.600 0.012 0.000 0.985 120 E CA 1.341 57.749 56.400 0.014 0.000 0.814 120 E CB 0.260 29.968 29.700 0.014 0.000 0.752 120 E HN 0.475 nan 8.360 nan 0.000 0.466 121 K N 0.185 120.600 120.400 0.026 0.000 2.097 121 K HA -0.144 4.177 4.320 0.002 0.000 0.205 121 K C 1.346 178.000 176.600 0.091 0.000 1.050 121 K CA 1.486 57.856 56.287 0.138 0.000 0.938 121 K CB -0.053 32.516 32.500 0.116 0.000 0.718 121 K HN 0.057 nan 8.250 nan 0.000 0.442 122 D N 1.561 121.869 120.400 -0.153 0.000 2.144 122 D HA -0.092 4.549 4.640 0.002 0.000 0.200 122 D C 2.109 178.296 176.300 -0.187 0.000 0.978 122 D CA 0.908 54.654 54.000 -0.423 0.000 0.833 122 D CB -0.010 40.032 40.800 -1.263 0.000 0.961 122 D HN 0.182 nan 8.370 nan 0.000 0.470 123 I N 1.041 121.607 120.570 -0.006 0.000 2.142 123 I HA -0.180 3.991 4.170 0.002 0.000 0.240 123 I C 2.632 178.760 176.117 0.020 0.000 1.078 123 I CA 0.751 62.130 61.300 0.132 0.000 1.343 123 I CB -1.115 36.945 38.000 0.100 0.000 1.046 123 I HN -0.091 nan 8.210 nan 0.000 0.405 124 V N 0.258 120.128 119.914 -0.073 0.000 2.358 124 V HA -0.220 3.901 4.120 0.002 0.000 0.246 124 V C 2.097 177.986 176.094 -0.343 0.000 1.047 124 V CA 1.714 63.865 62.300 -0.249 0.000 1.035 124 V CB -0.666 30.905 31.823 -0.420 0.000 0.658 124 V HN 0.188 nan 8.190 nan 0.000 0.452 125 F N 0.282 120.214 119.950 -0.031 0.000 2.765 125 F HA 0.532 5.060 4.527 0.002 0.000 0.302 125 F C 1.382 177.173 175.800 -0.016 0.000 1.111 125 F CA 0.510 58.493 58.000 -0.028 0.000 1.359 125 F CB -0.297 38.675 39.000 -0.046 0.000 1.097 125 F HN 0.266 nan 8.300 nan 0.000 0.577 126 G N 0.095 108.968 108.800 0.121 0.000 2.733 126 G HA2 0.076 4.037 3.960 0.002 0.000 0.686 126 G HA3 0.076 4.037 3.960 0.002 0.000 0.686 126 G C 0.479 175.439 174.900 0.099 0.000 1.373 126 G CA -0.546 44.630 45.100 0.126 0.000 0.838 126 G HN 0.573 nan 8.290 nan 0.000 0.588 127 G N -0.699 108.210 108.800 0.182 0.000 3.993 127 G HA2 0.465 4.426 3.960 0.002 0.000 0.294 127 G HA3 0.465 4.426 3.960 0.002 0.000 0.294 127 G C 0.678 175.710 174.900 0.220 0.000 1.043 127 G CA 1.087 46.290 45.100 0.171 0.000 0.839 127 G HN 0.582 nan 8.290 nan 0.000 0.516 128 D N 0.949 121.442 120.400 0.154 0.000 2.117 128 D HA -0.052 4.589 4.640 0.002 0.000 0.198 128 D C 2.224 178.561 176.300 0.063 0.000 0.982 128 D CA 0.688 54.754 54.000 0.109 0.000 0.828 128 D CB 0.330 41.175 40.800 0.076 0.000 0.967 128 D HN 0.061 nan 8.370 nan 0.000 0.464 129 K N 0.958 121.384 120.400 0.044 0.000 2.097 129 K HA -0.110 4.211 4.320 0.002 0.000 0.206 129 K C 1.991 178.598 176.600 0.012 0.000 1.049 129 K CA 0.596 56.892 56.287 0.015 0.000 0.933 129 K CB -0.218 32.280 32.500 -0.003 0.000 0.717 129 K HN 0.149 nan 8.250 nan 0.000 0.442 130 K N 1.068 121.481 120.400 0.023 0.000 2.057 130 K HA -0.045 4.276 4.320 0.002 0.000 0.206 130 K C 2.162 178.796 176.600 0.056 0.000 1.050 130 K CA 0.637 56.938 56.287 0.024 0.000 0.935 130 K CB -0.071 32.426 32.500 -0.004 0.000 0.715 130 K HN 0.039 nan 8.250 nan 0.000 0.439 131 L N 0.565 121.842 121.223 0.091 0.000 2.046 131 L HA -0.166 4.175 4.340 0.002 0.000 0.208 131 L C 2.312 179.156 176.870 -0.043 0.000 1.077 131 L CA 1.724 56.571 54.840 0.011 0.000 0.747 131 L CB -0.543 41.485 42.059 -0.052 0.000 0.896 131 L HN 0.308 nan 8.230 nan 0.000 0.432 132 A N 0.063 122.868 122.820 -0.026 0.000 1.898 132 A HA -0.267 4.054 4.320 0.002 0.000 0.216 132 A C 2.213 179.780 177.584 -0.029 0.000 1.181 132 A CA 1.876 53.891 52.037 -0.036 0.000 0.620 132 A CB -0.455 18.532 19.000 -0.023 0.000 0.819 132 A HN 0.362 nan 8.150 nan 0.000 0.442 133 K N 0.058 120.449 120.400 -0.014 0.000 2.147 133 K HA -0.024 4.297 4.320 0.002 0.000 0.205 133 K C 1.744 178.341 176.600 -0.005 0.000 1.049 133 K CA 1.390 57.671 56.287 -0.010 0.000 0.936 133 K CB -0.565 31.931 32.500 -0.007 0.000 0.722 133 K HN 0.467 nan 8.250 nan 0.000 0.446 134 L N 0.026 121.247 121.223 -0.004 0.000 2.093 134 L HA -0.032 4.309 4.340 0.002 0.000 0.208 134 L C 1.974 178.828 176.870 -0.025 0.000 1.085 134 L CA 1.250 56.092 54.840 0.003 0.000 0.755 134 L CB -0.136 41.931 42.059 0.012 0.000 0.904 134 L HN 0.190 nan 8.230 nan 0.000 0.435 135 I N -0.107 120.427 120.570 -0.059 0.000 2.394 135 I HA -0.263 3.908 4.170 0.002 0.000 0.251 135 I C 1.914 178.001 176.117 -0.051 0.000 1.136 135 I CA 1.005 62.254 61.300 -0.085 0.000 1.425 135 I CB -0.500 37.436 38.000 -0.108 0.000 1.079 135 I HN 0.320 nan 8.210 nan 0.000 0.425 136 D N 0.925 121.306 120.400 -0.030 0.000 2.117 136 D HA -0.152 4.489 4.640 0.002 0.000 0.198 136 D C 2.086 178.386 176.300 -0.001 0.000 0.982 136 D CA 1.192 55.181 54.000 -0.018 0.000 0.828 136 D CB -0.145 40.647 40.800 -0.014 0.000 0.967 136 D HN 0.435 nan 8.370 nan 0.000 0.464 137 E N 0.401 120.609 120.200 0.013 0.000 2.106 137 E HA -0.094 4.257 4.350 0.002 0.000 0.192 137 E C 2.322 178.969 176.600 0.078 0.000 0.984 137 E CA 0.493 56.915 56.400 0.037 0.000 0.806 137 E CB 0.120 29.851 29.700 0.051 0.000 0.750 137 E HN 0.083 nan 8.360 nan 0.000 0.458 138 V N 1.468 121.429 119.914 0.078 0.000 2.358 138 V HA -0.231 3.890 4.120 0.002 0.000 0.246 138 V C 2.346 178.504 176.094 0.107 0.000 1.047 138 V CA 1.995 64.374 62.300 0.133 0.000 1.035 138 V CB -0.356 31.428 31.823 -0.066 0.000 0.658 138 V HN 0.181 nan 8.190 nan 0.000 0.452 139 E N 0.226 120.436 120.200 0.016 0.000 2.150 139 E HA -0.159 4.192 4.350 0.002 0.000 0.193 139 E C 2.164 178.776 176.600 0.021 0.000 0.985 139 E CA 1.767 58.171 56.400 0.007 0.000 0.814 139 E CB -0.395 29.293 29.700 -0.020 0.000 0.752 139 E HN 0.587 nan 8.360 nan 0.000 0.466 140 T N 0.322 114.883 114.554 0.012 0.000 2.777 140 T HA -0.043 4.309 4.350 0.002 0.000 0.266 140 T C 1.625 176.294 174.700 -0.052 0.000 1.040 140 T CA 1.223 63.316 62.100 -0.013 0.000 1.141 140 T CB -0.115 68.743 68.868 -0.017 0.000 0.868 140 T HN 0.146 nan 8.240 nan 0.000 0.444 141 L N -0.818 120.351 121.223 -0.089 0.000 2.509 141 L HA 0.270 4.611 4.340 0.002 0.000 0.222 141 L C -0.102 176.404 176.870 -0.606 0.000 1.123 141 L CA 0.523 55.148 54.840 -0.358 0.000 0.856 141 L CB 0.180 41.961 42.059 -0.463 0.000 0.985 141 L HN 0.184 nan 8.230 nan 0.000 0.456 142 F N -0.469 119.504 119.950 0.039 0.000 2.708 142 F HA 0.295 4.822 4.527 0.001 0.000 0.344 142 F C -1.671 174.155 175.800 0.043 0.000 1.447 142 F CA -1.498 56.549 58.000 0.080 0.000 1.140 142 F CB 0.546 39.548 39.000 0.002 0.000 1.657 142 F HN -0.185 nan 8.300 nan 0.000 0.598 143 P HA -0.108 nan 4.420 nan 0.000 0.225 143 P C 1.104 178.475 177.300 0.119 0.000 1.148 143 P CA 1.240 64.398 63.100 0.096 0.000 0.779 143 P CB 0.519 32.253 31.700 0.056 0.000 0.780 144 L N -0.362 120.980 121.223 0.197 0.000 2.611 144 L HA 0.078 4.419 4.340 0.002 0.000 0.229 144 L C 0.845 177.868 176.870 0.256 0.000 1.137 144 L CA -0.355 54.605 54.840 0.200 0.000 0.901 144 L CB -1.082 41.093 42.059 0.194 0.000 1.098 144 L HN 0.058 nan 8.230 nan 0.000 0.456 145 N N 0.094 118.923 118.700 0.214 0.000 2.492 145 N HA -0.034 4.707 4.740 0.002 0.000 0.260 145 N C 0.294 175.820 175.510 0.026 0.000 1.215 145 N CA 0.011 53.104 53.050 0.072 0.000 0.923 145 N CB 0.571 38.825 38.487 -0.388 0.000 1.092 145 N HN -0.011 nan 8.380 nan 0.000 0.448 146 K N 0.674 121.094 120.400 0.034 0.000 2.397 146 K HA 0.284 4.605 4.320 0.002 0.000 0.202 146 K C -0.026 176.549 176.600 -0.042 0.000 1.022 146 K CA -0.271 56.022 56.287 0.010 0.000 1.141 146 K CB 0.409 32.934 32.500 0.041 0.000 0.857 146 K HN 0.780 nan 8.250 nan 0.000 0.514 147 G N 0.829 109.559 108.800 -0.116 0.000 2.355 147 G HA2 0.386 4.347 3.960 0.002 0.000 0.296 147 G HA3 0.386 4.347 3.960 0.002 0.000 0.296 147 G C -1.848 172.880 174.900 -0.287 0.000 1.507 147 G CA -0.896 44.113 45.100 -0.152 0.000 0.823 147 G HN 0.024 nan 8.290 nan 0.000 0.569 148 I N 0.844 121.234 120.570 -0.300 0.000 2.656 148 I HA 0.562 4.733 4.170 0.002 0.000 0.292 148 I C -0.013 175.859 176.117 -0.408 0.000 1.144 148 I CA -0.944 60.111 61.300 -0.409 0.000 1.038 148 I CB 2.569 40.346 38.000 -0.371 0.000 1.244 148 I HN 0.709 nan 8.210 nan 0.000 0.420 149 S N 4.773 120.201 115.700 -0.453 0.000 2.513 149 S HA 0.785 5.256 4.470 0.002 0.000 0.299 149 S C -0.916 173.441 174.600 -0.405 0.000 1.087 149 S CA -0.671 57.232 58.200 -0.495 0.000 1.012 149 S CB 2.118 65.007 63.200 -0.518 0.000 1.044 149 S HN 0.290 nan 8.310 nan 0.000 0.485 150 V N 3.574 123.224 119.914 -0.440 0.000 2.334 150 V HA 0.418 4.539 4.120 0.002 0.000 0.281 150 V C -0.599 175.325 176.094 -0.284 0.000 1.016 150 V CA -0.552 61.543 62.300 -0.341 0.000 0.832 150 V CB 1.257 32.844 31.823 -0.393 0.000 0.999 150 V HN 0.884 nan 8.190 nan 0.000 0.439 151 Q N 2.983 122.695 119.800 -0.148 0.000 2.430 151 Q HA 0.390 4.731 4.340 0.002 0.000 0.245 151 Q C -0.001 176.033 176.000 0.056 0.000 1.021 151 Q CA -0.159 55.604 55.803 -0.067 0.000 0.867 151 Q CB 1.575 30.311 28.738 -0.004 0.000 1.210 151 Q HN 0.706 nan 8.270 nan 0.000 0.487 152 S N 2.273 117.970 115.700 -0.006 0.000 2.562 152 S HA 0.123 4.594 4.470 0.002 0.000 0.281 152 S C 0.339 174.903 174.600 -0.059 0.000 1.333 152 S CA -0.138 58.045 58.200 -0.029 0.000 1.052 152 S CB 0.983 64.137 63.200 -0.077 0.000 0.884 152 S HN 0.395 nan 8.310 nan 0.000 0.506 153 E N 0.452 120.537 120.200 -0.192 0.000 2.259 153 E HA 0.275 4.626 4.350 0.002 0.000 0.257 153 E C 0.831 177.288 176.600 -0.239 0.000 0.998 153 E CA -0.934 55.294 56.400 -0.288 0.000 0.866 153 E CB 0.590 30.051 29.700 -0.398 0.000 1.220 153 E HN 0.608 nan 8.360 nan 0.000 0.415 154 C N 1.136 120.324 119.300 -0.187 0.000 2.326 154 C HA -0.187 4.274 4.460 0.002 0.000 0.269 154 C C -0.467 174.567 174.990 0.073 0.000 1.140 154 C CA 1.249 60.251 59.018 -0.027 0.000 1.798 154 C CB -1.737 26.058 27.740 0.091 0.000 2.053 154 C HN 0.704 nan 8.230 nan 0.000 0.438 155 P HA -0.025 nan 4.420 nan 0.000 0.221 155 P C 1.454 178.712 177.300 -0.070 0.000 1.150 155 P CA 1.045 64.120 63.100 -0.042 0.000 0.800 155 P CB -0.240 31.390 31.700 -0.117 0.000 0.787 156 I N -0.372 120.089 120.570 -0.181 0.000 2.286 156 I HA -0.106 4.066 4.170 0.002 0.000 0.248 156 I C 2.365 178.471 176.117 -0.018 0.000 1.115 156 I CA 1.887 63.099 61.300 -0.148 0.000 1.392 156 I CB -2.103 35.783 38.000 -0.191 0.000 1.065 156 I HN 0.023 nan 8.210 nan 0.000 0.418 157 G N 0.856 109.664 108.800 0.013 0.000 2.408 157 G HA2 -0.125 3.836 3.960 0.002 0.000 0.217 157 G HA3 -0.125 3.836 3.960 0.002 0.000 0.217 157 G C 1.856 176.898 174.900 0.236 0.000 1.150 157 G CA 0.256 45.420 45.100 0.106 0.000 0.776 157 G HN 0.292 nan 8.290 nan 0.000 0.542 158 L N 0.743 122.119 121.223 0.254 0.000 2.005 158 L HA 0.022 4.363 4.340 0.002 0.000 0.207 158 L C 2.846 179.747 176.870 0.052 0.000 1.072 158 L CA 1.268 56.179 54.840 0.117 0.000 0.744 158 L CB -0.469 41.615 42.059 0.042 0.000 0.895 158 L HN 0.391 nan 8.230 nan 0.000 0.433 159 I N -2.475 118.122 120.570 0.046 0.000 2.830 159 I HA 0.117 4.288 4.170 0.002 0.000 0.263 159 I C 1.311 177.453 176.117 0.041 0.000 1.230 159 I CA 0.871 62.193 61.300 0.036 0.000 1.480 159 I CB -0.593 37.437 38.000 0.049 0.000 1.095 159 I HN 0.349 nan 8.210 nan 0.000 0.455 160 G N 1.566 110.396 108.800 0.049 0.000 2.149 160 G HA2 -0.222 3.740 3.960 0.002 0.000 0.235 160 G HA3 -0.222 3.740 3.960 0.002 0.000 0.235 160 G C -0.446 174.485 174.900 0.052 0.000 1.018 160 G CA 0.119 45.246 45.100 0.046 0.000 0.728 160 G HN 0.492 nan 8.290 nan 0.000 0.508 161 D N 0.362 120.801 120.400 0.065 0.000 2.414 161 D HA 0.342 4.983 4.640 0.002 0.000 0.242 161 D C 0.322 176.660 176.300 0.064 0.000 1.129 161 D CA 0.008 54.059 54.000 0.085 0.000 0.885 161 D CB 0.863 41.745 40.800 0.137 0.000 1.198 161 D HN 0.107 nan 8.370 nan 0.000 0.437 162 D N 2.015 122.449 120.400 0.057 0.000 2.631 162 D HA 0.058 4.699 4.640 0.002 0.000 0.227 162 D C 1.441 177.753 176.300 0.020 0.000 1.146 162 D CA -0.306 53.717 54.000 0.038 0.000 1.009 162 D CB -0.280 40.543 40.800 0.038 0.000 1.057 162 D HN 0.428 nan 8.370 nan 0.000 0.509 163 I N -1.196 119.374 120.570 0.000 0.000 2.493 163 I HA -0.124 4.047 4.170 0.002 0.000 0.254 163 I C 1.338 177.391 176.117 -0.107 0.000 1.160 163 I CA 0.738 61.999 61.300 -0.065 0.000 1.445 163 I CB 0.054 37.993 38.000 -0.102 0.000 1.086 163 I HN -0.074 nan 8.210 nan 0.000 0.433 164 E N 1.399 121.570 120.200 -0.048 0.000 2.072 164 E HA -0.173 4.178 4.350 0.002 0.000 0.191 164 E C 2.418 179.058 176.600 0.066 0.000 0.985 164 E CA 1.607 58.013 56.400 0.011 0.000 0.801 164 E CB -0.265 29.535 29.700 0.165 0.000 0.750 164 E HN 0.523 nan 8.360 nan 0.000 0.452 165 S N -0.368 115.362 115.700 0.051 0.000 2.368 165 S HA -0.122 4.349 4.470 0.002 0.000 0.224 165 S C 2.019 176.630 174.600 0.019 0.000 1.029 165 S CA 1.073 59.303 58.200 0.050 0.000 0.988 165 S CB -0.224 62.999 63.200 0.039 0.000 0.838 165 S HN 0.104 nan 8.310 nan 0.000 0.462 166 V N 1.413 121.319 119.914 -0.015 0.000 2.407 166 V HA -0.097 4.024 4.120 0.002 0.000 0.248 166 V C 2.639 178.694 176.094 -0.066 0.000 1.055 166 V CA 2.028 64.305 62.300 -0.039 0.000 1.049 166 V CB -0.882 30.907 31.823 -0.058 0.000 0.662 166 V HN 0.471 nan 8.190 nan 0.000 0.455 167 S N -0.629 115.008 115.700 -0.104 0.000 2.368 167 S HA -0.166 4.305 4.470 0.002 0.000 0.224 167 S C 2.009 176.594 174.600 -0.025 0.000 1.029 167 S CA 1.323 59.430 58.200 -0.156 0.000 0.988 167 S CB -0.184 62.795 63.200 -0.369 0.000 0.838 167 S HN 0.581 nan 8.310 nan 0.000 0.462 168 K N 0.609 121.058 120.400 0.082 0.000 2.057 168 K HA 0.002 4.323 4.320 0.002 0.000 0.206 168 K C 2.085 178.724 176.600 0.065 0.000 1.050 168 K CA 1.032 57.406 56.287 0.145 0.000 0.935 168 K CB -0.364 32.238 32.500 0.171 0.000 0.715 168 K HN 0.159 nan 8.250 nan 0.000 0.439 169 V N 2.065 122.000 119.914 0.035 0.000 2.270 169 V HA -0.229 3.892 4.120 0.002 0.000 0.245 169 V C 2.191 178.287 176.094 0.003 0.000 1.043 169 V CA 1.631 63.941 62.300 0.017 0.000 1.014 169 V CB -0.301 31.528 31.823 0.009 0.000 0.645 169 V HN 0.226 nan 8.190 nan 0.000 0.447 170 K N 0.552 120.942 120.400 -0.016 0.000 2.057 170 K HA -0.045 4.277 4.320 0.002 0.000 0.206 170 K C 2.260 178.845 176.600 -0.026 0.000 1.050 170 K CA 1.432 57.701 56.287 -0.030 0.000 0.935 170 K CB -1.134 31.332 32.500 -0.056 0.000 0.715 170 K HN 0.518 nan 8.250 nan 0.000 0.439 171 G N 1.352 110.141 108.800 -0.019 0.000 2.440 171 G HA2 -0.270 3.691 3.960 0.002 0.000 0.218 171 G HA3 -0.270 3.691 3.960 0.002 0.000 0.218 171 G C 1.715 176.622 174.900 0.012 0.000 1.154 171 G CA 1.369 46.466 45.100 -0.004 0.000 0.767 171 G HN 0.386 nan 8.290 nan 0.000 0.552 172 A N 0.523 123.356 122.820 0.022 0.000 1.898 172 A HA 0.002 4.324 4.320 0.002 0.000 0.216 172 A C 2.166 179.756 177.584 0.009 0.000 1.181 172 A CA 1.939 53.988 52.037 0.020 0.000 0.620 172 A CB -0.448 18.566 19.000 0.024 0.000 0.819 172 A HN 0.474 nan 8.150 nan 0.000 0.442 173 E N -0.338 119.864 120.200 0.003 0.000 2.150 173 E HA -0.097 4.254 4.350 0.002 0.000 0.193 173 E C 1.314 177.911 176.600 -0.005 0.000 0.985 173 E CA 0.953 57.352 56.400 -0.001 0.000 0.814 173 E CB -0.084 29.613 29.700 -0.006 0.000 0.752 173 E HN 0.635 nan 8.360 nan 0.000 0.466 174 L N -0.234 120.983 121.223 -0.009 0.000 2.693 174 L HA 0.199 4.540 4.340 0.002 0.000 0.235 174 L C 0.518 177.384 176.870 -0.007 0.000 1.127 174 L CA -0.207 54.626 54.840 -0.012 0.000 0.914 174 L CB 0.554 42.597 42.059 -0.025 0.000 1.193 174 L HN -0.108 nan 8.230 nan 0.000 0.502 175 S N 0.957 116.657 115.700 0.000 0.000 3.614 175 S HA -0.222 4.249 4.470 0.002 0.000 0.360 175 S C 0.188 174.790 174.600 0.003 0.000 1.023 175 S CA 0.962 59.166 58.200 0.007 0.000 1.114 175 S CB -1.085 62.120 63.200 0.009 0.000 0.907 175 S HN 0.542 nan 8.310 nan 0.000 0.470 176 K N 0.766 121.163 120.400 -0.005 0.000 2.397 176 K HA 0.426 4.747 4.320 0.002 0.000 0.253 176 K C -0.338 176.253 176.600 -0.015 0.000 0.932 176 K CA -0.506 55.770 56.287 -0.018 0.000 0.795 176 K CB 1.253 33.725 32.500 -0.046 0.000 1.159 176 K HN 0.055 nan 8.250 nan 0.000 0.424 177 T N 4.639 119.190 114.554 -0.004 0.000 2.853 177 T HA 0.222 4.573 4.350 0.002 0.000 0.298 177 T C -0.048 174.617 174.700 -0.058 0.000 0.978 177 T CA 0.260 62.371 62.100 0.018 0.000 1.152 177 T CB -0.172 68.724 68.868 0.047 0.000 0.914 177 T HN 0.370 nan 8.240 nan 0.000 0.539 178 I N 3.717 124.235 120.570 -0.086 0.000 2.447 178 I HA 0.329 4.500 4.170 0.002 0.000 0.287 178 I C -0.519 175.348 176.117 -0.418 0.000 1.023 178 I CA -1.035 60.123 61.300 -0.237 0.000 1.083 178 I CB 2.001 39.863 38.000 -0.230 0.000 1.245 178 I HN 0.268 nan 8.210 nan 0.000 0.434 179 V N 7.823 127.419 119.914 -0.531 0.000 2.311 179 V HA 0.314 4.435 4.120 0.002 0.000 0.275 179 V C -2.157 173.419 176.094 -0.863 0.000 1.022 179 V CA -1.767 60.043 62.300 -0.817 0.000 0.830 179 V CB 0.951 32.336 31.823 -0.730 0.000 1.012 179 V HN 0.544 nan 8.190 nan 0.000 0.452 180 P HA 0.260 nan 4.420 nan 0.000 0.282 180 P C -0.767 176.206 177.300 -0.545 0.000 1.274 180 P CA -0.030 62.666 63.100 -0.673 0.000 0.770 180 P CB 1.635 32.974 31.700 -0.603 0.000 0.867 181 V N 5.754 125.411 119.914 -0.428 0.000 2.409 181 V HA 0.336 4.457 4.120 0.002 0.000 0.291 181 V C 0.815 176.791 176.094 -0.198 0.000 1.020 181 V CA -0.714 61.394 62.300 -0.319 0.000 0.848 181 V CB 1.709 33.293 31.823 -0.399 0.000 0.990 181 V HN 0.375 nan 8.190 nan 0.000 0.430 182 R N 2.960 123.376 120.500 -0.141 0.000 3.657 182 R HA 0.193 4.535 4.340 0.002 0.000 0.220 182 R C 0.417 176.634 176.300 -0.138 0.000 1.548 182 R CA -0.219 55.807 56.100 -0.123 0.000 1.465 182 R CB -0.136 30.109 30.300 -0.092 0.000 1.330 182 R HN 0.924 nan 8.270 nan 0.000 0.707 183 C N -1.004 118.219 119.300 -0.128 0.000 2.306 183 C HA 0.344 4.805 4.460 0.002 0.000 0.341 183 C C 0.069 174.973 174.990 -0.143 0.000 1.381 183 C CA -1.234 57.715 59.018 -0.115 0.000 1.784 183 C CB -1.473 26.224 27.740 -0.072 0.000 2.555 183 C HN 0.392 nan 8.230 nan 0.000 0.565 184 E N 1.117 121.145 120.200 -0.287 0.000 2.568 184 E HA 0.288 4.639 4.350 0.002 0.000 0.262 184 E C 1.549 177.875 176.600 -0.456 0.000 0.961 184 E CA 1.011 57.118 56.400 -0.489 0.000 0.945 184 E CB 0.395 29.487 29.700 -1.014 0.000 0.924 184 E HN 0.611 nan 8.360 nan 0.000 0.467 185 G N 2.456 111.080 108.800 -0.294 0.000 2.462 185 G HA2 -0.275 3.686 3.960 0.002 0.000 0.220 185 G HA3 -0.275 3.686 3.960 0.002 0.000 0.220 185 G C 1.054 175.899 174.900 -0.091 0.000 1.121 185 G CA 0.858 45.884 45.100 -0.124 0.000 0.758 185 G HN 0.646 nan 8.290 nan 0.000 0.559 186 F N 0.577 120.518 119.950 -0.015 0.000 2.661 186 F HA 0.399 4.927 4.527 0.002 0.000 0.298 186 F C 1.236 177.030 175.800 -0.011 0.000 1.137 186 F CA -0.991 57.002 58.000 -0.013 0.000 1.454 186 F CB -0.282 38.706 39.000 -0.020 0.000 1.103 186 F HN -0.150 nan 8.300 nan 0.000 0.577 187 R N 1.573 121.971 120.500 -0.171 0.000 2.543 187 R HA 0.416 4.757 4.340 0.002 0.000 0.277 187 R C 0.976 177.267 176.300 -0.015 0.000 1.074 187 R CA 0.503 56.568 56.100 -0.059 0.000 1.076 187 R CB 0.058 30.250 30.300 -0.180 0.000 0.993 187 R HN 0.545 nan 8.270 nan 0.000 0.459 188 G N 0.291 109.102 108.800 0.019 0.000 2.645 188 G HA2 -0.292 3.669 3.960 0.002 0.000 0.239 188 G HA3 -0.292 3.669 3.960 0.002 0.000 0.239 188 G C 0.290 175.216 174.900 0.043 0.000 1.331 188 G CA -0.161 44.951 45.100 0.020 0.000 0.890 188 G HN 0.763 nan 8.290 nan 0.000 0.572 189 V N -3.303 116.639 119.914 0.047 0.000 3.346 189 V HA 0.724 4.845 4.120 0.002 0.000 0.309 189 V C 0.653 176.794 176.094 0.077 0.000 1.457 189 V CA 1.628 63.969 62.300 0.067 0.000 1.069 189 V CB -0.446 31.425 31.823 0.079 0.000 0.944 189 V HN 2.644 nan 8.190 nan 0.000 0.449 190 S N -0.823 114.900 115.700 0.038 0.000 2.647 190 S HA 0.250 4.721 4.470 0.002 0.000 0.276 190 S C 0.214 174.730 174.600 -0.140 0.000 1.184 190 S CA 0.068 58.279 58.200 0.018 0.000 1.025 190 S CB 1.215 64.493 63.200 0.130 0.000 1.238 190 S HN 0.056 nan 8.310 nan 0.000 0.472 191 Q N 1.116 120.735 119.800 -0.302 0.000 2.167 191 Q HA 0.066 4.407 4.340 0.002 0.000 0.202 191 Q C 2.223 177.700 176.000 -0.871 0.000 0.970 191 Q CA 1.635 57.101 55.803 -0.561 0.000 0.855 191 Q CB -0.456 27.865 28.738 -0.696 0.000 0.911 191 Q HN 0.654 nan 8.270 nan 0.000 0.438 192 S N 0.335 115.529 115.700 -0.843 0.000 2.372 192 S HA -0.203 4.268 4.470 0.002 0.000 0.227 192 S C 1.740 176.184 174.600 -0.260 0.000 1.044 192 S CA 1.342 59.194 58.200 -0.580 0.000 1.050 192 S CB -0.291 62.911 63.200 0.003 0.000 0.901 192 S HN 0.419 nan 8.310 nan 0.000 0.447 193 L N 1.701 122.851 121.223 -0.121 0.000 2.191 193 L HA 0.169 4.510 4.340 0.002 0.000 0.212 193 L C 2.280 179.081 176.870 -0.114 0.000 1.103 193 L CA 1.996 56.807 54.840 -0.047 0.000 0.769 193 L CB -1.285 40.754 42.059 -0.032 0.000 0.908 193 L HN 0.399 nan 8.230 nan 0.000 0.438 194 G N -1.906 106.777 108.800 -0.195 0.000 2.443 194 G HA2 -0.253 3.708 3.960 0.002 0.000 0.219 194 G HA3 -0.253 3.708 3.960 0.002 0.000 0.219 194 G C 1.322 176.188 174.900 -0.058 0.000 1.131 194 G CA 0.976 45.987 45.100 -0.148 0.000 0.775 194 G HN 0.619 nan 8.290 nan 0.000 0.547 195 H N -1.558 117.451 119.070 -0.103 0.000 2.357 195 H HA -0.037 4.520 4.556 0.002 0.000 0.301 195 H C 2.260 177.507 175.328 -0.134 0.000 1.082 195 H CA 1.108 57.114 56.048 -0.071 0.000 1.342 195 H CB -0.086 29.685 29.762 0.015 0.000 1.389 195 H HN 0.518 nan 8.280 nan 0.000 0.511 196 H N 0.457 119.320 119.070 -0.344 0.000 2.321 196 H HA -0.101 4.456 4.556 0.002 0.000 0.300 196 H C 2.121 177.248 175.328 -0.336 0.000 1.087 196 H CA 1.208 56.785 56.048 -0.785 0.000 1.319 196 H CB 0.150 29.426 29.762 -0.809 0.000 1.379 196 H HN 0.224 nan 8.280 nan 0.000 0.501 197 I N 0.513 121.032 120.570 -0.085 0.000 2.394 197 I HA -0.207 3.964 4.170 0.002 0.000 0.251 197 I C 2.764 178.923 176.117 0.070 0.000 1.136 197 I CA 0.779 62.040 61.300 -0.065 0.000 1.425 197 I CB -0.209 37.743 38.000 -0.079 0.000 1.079 197 I HN 0.352 nan 8.210 nan 0.000 0.425 198 A N 0.747 123.648 122.820 0.135 0.000 1.898 198 A HA -0.190 4.131 4.320 0.002 0.000 0.216 198 A C 2.104 179.854 177.584 0.277 0.000 1.181 198 A CA 1.696 53.943 52.037 0.350 0.000 0.620 198 A CB -0.781 18.375 19.000 0.259 0.000 0.819 198 A HN 0.460 nan 8.150 nan 0.000 0.442 199 N N -0.250 118.534 118.700 0.139 0.000 2.142 199 N HA -0.143 4.598 4.740 0.002 0.000 0.186 199 N C 0.901 176.503 175.510 0.153 0.000 1.023 199 N CA 1.358 54.494 53.050 0.143 0.000 0.852 199 N CB -0.203 38.369 38.487 0.141 0.000 0.998 199 N HN 0.381 nan 8.380 nan 0.000 0.424 200 D N 1.022 121.498 120.400 0.127 0.000 2.144 200 D HA -0.049 4.592 4.640 0.002 0.000 0.200 200 D C 1.852 178.255 176.300 0.172 0.000 0.978 200 D CA 0.600 54.658 54.000 0.096 0.000 0.833 200 D CB -0.238 40.582 40.800 0.033 0.000 0.961 200 D HN 0.214 nan 8.370 nan 0.000 0.470 201 A N 0.342 123.319 122.820 0.261 0.000 1.930 201 A HA -0.102 4.220 4.320 0.002 0.000 0.217 201 A C 2.426 180.309 177.584 0.498 0.000 1.175 201 A CA 1.004 53.271 52.037 0.383 0.000 0.627 201 A CB -0.559 18.606 19.000 0.275 0.000 0.815 201 A HN 0.143 nan 8.150 nan 0.000 0.443 202 V N 0.476 120.663 119.914 0.456 0.000 2.307 202 V HA -0.241 3.880 4.120 0.002 0.000 0.245 202 V C 2.680 178.917 176.094 0.239 0.000 1.045 202 V CA 2.137 64.631 62.300 0.323 0.000 1.024 202 V CB -0.872 30.992 31.823 0.069 0.000 0.651 202 V HN 0.669 nan 8.190 nan 0.000 0.449 203 R N 0.374 120.971 120.500 0.162 0.000 2.073 203 R HA -0.205 4.136 4.340 0.002 0.000 0.234 203 R C 1.960 178.285 176.300 0.042 0.000 1.134 203 R CA 2.337 58.459 56.100 0.038 0.000 0.952 203 R CB -0.554 29.607 30.300 -0.231 0.000 0.850 203 R HN 0.502 nan 8.270 nan 0.000 0.433 204 D N -0.775 119.663 120.400 0.064 0.000 2.117 204 D HA -0.153 4.488 4.640 0.002 0.000 0.198 204 D C 1.367 177.560 176.300 -0.178 0.000 0.982 204 D CA 1.253 55.207 54.000 -0.077 0.000 0.828 204 D CB -0.255 40.491 40.800 -0.090 0.000 0.967 204 D HN 0.399 nan 8.370 nan 0.000 0.464 205 W N -0.444 120.888 121.300 0.055 0.000 3.103 205 W HA 0.272 4.933 4.660 0.002 0.000 0.325 205 W C 1.489 178.047 176.519 0.064 0.000 1.170 205 W CA -0.117 57.254 57.345 0.044 0.000 1.712 205 W CB 0.376 29.841 29.460 0.009 0.000 1.068 205 W HN -0.226 nan 8.180 nan 0.000 0.592 206 V N -0.938 119.140 119.914 0.272 0.000 3.165 206 V HA -0.002 4.119 4.120 0.002 0.000 0.231 206 V C 1.626 177.798 176.094 0.131 0.000 1.365 206 V CA 0.110 62.520 62.300 0.183 0.000 1.286 206 V CB -0.483 31.442 31.823 0.169 0.000 1.081 206 V HN -0.111 nan 8.190 nan 0.000 0.477 207 L N 2.106 123.426 121.223 0.161 0.000 2.189 207 L HA -0.032 4.309 4.340 0.002 0.000 0.214 207 L C 1.892 178.894 176.870 0.220 0.000 1.097 207 L CA 2.417 57.381 54.840 0.207 0.000 0.764 207 L CB -0.734 41.522 42.059 0.329 0.000 0.900 207 L HN 0.356 nan 8.230 nan 0.000 0.436 208 G N -2.103 106.813 108.800 0.193 0.000 3.088 208 G HA2 -0.045 3.916 3.960 0.002 0.000 0.217 208 G HA3 -0.045 3.916 3.960 0.002 0.000 0.217 208 G C 1.410 176.381 174.900 0.117 0.000 1.159 208 G CA -0.125 45.087 45.100 0.187 0.000 0.760 208 G HN 0.330 nan 8.290 nan 0.000 0.550 209 K N 0.312 120.767 120.400 0.091 0.000 2.218 209 K HA -0.087 4.234 4.320 0.002 0.000 0.205 209 K C 1.498 178.132 176.600 0.056 0.000 1.046 209 K CA 0.829 57.155 56.287 0.066 0.000 0.933 209 K CB -0.014 32.520 32.500 0.057 0.000 0.728 209 K HN 0.192 nan 8.250 nan 0.000 0.454 210 R N 0.283 120.816 120.500 0.056 0.000 2.662 210 R HA 0.089 4.430 4.340 0.002 0.000 0.396 210 R C 0.097 176.435 176.300 0.063 0.000 1.096 210 R CA -0.244 55.883 56.100 0.046 0.000 1.081 210 R CB 0.533 30.843 30.300 0.016 0.000 1.382 210 R HN 0.096 nan 8.270 nan 0.000 0.580 211 D N 1.772 122.233 120.400 0.102 0.000 2.117 211 D HA -0.163 4.478 4.640 0.002 0.000 0.197 211 D C 1.488 177.852 176.300 0.106 0.000 0.987 211 D CA 1.361 55.450 54.000 0.148 0.000 0.829 211 D CB 0.427 41.333 40.800 0.176 0.000 0.961 211 D HN 0.222 nan 8.370 nan 0.000 0.460 212 E N 0.685 120.932 120.200 0.079 0.000 2.158 212 E HA -0.070 4.282 4.350 0.002 0.000 0.191 212 E C 0.589 177.224 176.600 0.059 0.000 0.982 212 E CA 0.241 56.679 56.400 0.063 0.000 0.823 212 E CB -0.190 29.540 29.700 0.050 0.000 0.766 212 E HN 0.253 nan 8.360 nan 0.000 0.468 213 D N 1.134 121.570 120.400 0.059 0.000 2.390 213 D HA -0.005 4.636 4.640 0.002 0.000 0.249 213 D C 0.331 176.675 176.300 0.074 0.000 1.144 213 D CA 0.390 54.427 54.000 0.061 0.000 0.880 213 D CB 0.889 41.724 40.800 0.059 0.000 1.182 213 D HN -0.025 nan 8.370 nan 0.000 0.451 214 T N -0.877 113.721 114.554 0.074 0.000 3.252 214 T HA 0.051 4.402 4.350 0.002 0.000 0.286 214 T C 1.488 176.242 174.700 0.089 0.000 1.013 214 T CA 0.175 62.326 62.100 0.084 0.000 0.914 214 T CB -0.122 68.783 68.868 0.063 0.000 1.131 214 T HN 0.378 nan 8.240 nan 0.000 0.529 215 T N -0.066 114.548 114.554 0.099 0.000 2.777 215 T HA 0.058 4.409 4.350 0.002 0.000 0.266 215 T C 0.604 175.375 174.700 0.118 0.000 1.040 215 T CA 0.001 62.156 62.100 0.091 0.000 1.141 215 T CB -0.860 68.062 68.868 0.089 0.000 0.868 215 T HN 0.409 nan 8.240 nan 0.000 0.444 216 F N 3.499 123.460 119.950 0.018 0.000 2.608 216 F HA 0.440 4.968 4.527 0.001 0.000 0.380 216 F C 0.509 176.319 175.800 0.017 0.000 1.083 216 F CA -1.404 56.608 58.000 0.019 0.000 1.266 216 F CB 0.008 39.020 39.000 0.020 0.000 1.076 216 F HN 0.340 nan 8.300 nan 0.000 0.574 217 A N 5.662 128.048 122.820 -0.723 0.000 2.347 217 A HA 0.494 4.815 4.320 0.002 0.000 0.287 217 A C -0.261 176.816 177.584 -0.845 0.000 1.199 217 A CA -0.055 51.647 52.037 -0.559 0.000 0.851 217 A CB -0.409 18.369 19.000 -0.370 0.000 1.118 217 A HN 0.866 nan 8.150 nan 0.000 0.525 218 S N 2.033 117.533 115.700 -0.333 0.000 2.565 218 S HA 0.799 5.270 4.470 0.002 0.000 0.290 218 S C 0.083 174.644 174.600 -0.065 0.000 1.150 218 S CA 0.040 58.190 58.200 -0.084 0.000 1.058 218 S CB 1.442 64.727 63.200 0.141 0.000 1.032 218 S HN 1.303 nan 8.310 nan 0.000 0.510 219 T N -2.076 112.467 114.554 -0.018 0.000 2.907 219 T HA 0.615 4.966 4.350 0.002 0.000 0.290 219 T C -2.495 172.153 174.700 -0.086 0.000 1.066 219 T CA -2.041 60.020 62.100 -0.065 0.000 1.012 219 T CB 1.528 70.370 68.868 -0.044 0.000 1.184 219 T HN 0.341 nan 8.240 nan 0.000 0.522 220 P HA 0.007 nan 4.420 nan 0.000 0.230 220 P C 0.245 177.453 177.300 -0.153 0.000 1.158 220 P CA 0.739 63.671 63.100 -0.281 0.000 0.769 220 P CB -0.182 31.248 31.700 -0.449 0.000 0.807 221 Y N -0.443 119.944 120.300 0.145 0.000 2.458 221 Y HA 0.190 4.741 4.550 0.002 0.000 0.256 221 Y C 0.656 176.583 175.900 0.045 0.000 1.159 221 Y CA -1.315 56.801 58.100 0.027 0.000 1.261 221 Y CB -0.850 37.551 38.460 -0.099 0.000 1.119 221 Y HN -0.110 nan 8.280 nan 0.000 0.524 222 D N 1.477 122.006 120.400 0.216 0.000 2.425 222 D HA 0.293 4.934 4.640 0.002 0.000 0.247 222 D C 0.228 176.640 176.300 0.185 0.000 1.147 222 D CA 0.501 54.617 54.000 0.192 0.000 0.879 222 D CB 1.535 42.456 40.800 0.203 0.000 1.179 222 D HN 0.100 nan 8.370 nan 0.000 0.456 223 V N -1.678 118.316 119.914 0.132 0.000 3.147 223 V HA 0.906 5.027 4.120 0.002 0.000 0.306 223 V C -1.293 174.831 176.094 0.049 0.000 1.209 223 V CA -1.134 61.226 62.300 0.101 0.000 1.023 223 V CB 1.857 33.735 31.823 0.091 0.000 1.059 223 V HN 0.585 nan 8.190 nan 0.000 0.435 224 A N 2.869 125.690 122.820 0.002 0.000 2.371 224 A HA 0.901 5.222 4.320 0.002 0.000 0.311 224 A C -0.718 176.824 177.584 -0.070 0.000 1.068 224 A CA -0.764 51.251 52.037 -0.036 0.000 0.744 224 A CB 1.299 20.230 19.000 -0.116 0.000 1.239 224 A HN 1.000 nan 8.150 nan 0.000 0.435 225 I N 3.536 124.086 120.570 -0.033 0.000 2.312 225 I HA 0.228 4.399 4.170 0.002 0.000 0.291 225 I C -0.664 175.408 176.117 -0.076 0.000 1.031 225 I CA -0.198 61.097 61.300 -0.008 0.000 1.293 225 I CB 0.648 38.675 38.000 0.045 0.000 1.403 225 I HN 0.375 nan 8.210 nan 0.000 0.484 226 I N 5.433 125.940 120.570 -0.105 0.000 2.378 226 I HA 0.359 4.530 4.170 0.002 0.000 0.291 226 I C 0.878 176.895 176.117 -0.167 0.000 0.992 226 I CA -0.474 60.679 61.300 -0.245 0.000 1.154 226 I CB 0.938 38.687 38.000 -0.419 0.000 1.315 226 I HN 0.856 nan 8.210 nan 0.000 0.448 227 G N 4.403 113.050 108.800 -0.256 0.000 2.248 227 G HA2 -0.171 3.790 3.960 0.002 0.000 0.252 227 G HA3 -0.171 3.790 3.960 0.002 0.000 0.252 227 G C -0.429 174.194 174.900 -0.461 0.000 1.085 227 G CA -0.247 44.644 45.100 -0.348 0.000 0.845 227 G HN 0.673 nan 8.290 nan 0.000 0.494 228 D N -0.898 119.076 120.400 -0.711 0.000 2.757 228 D HA 0.518 5.159 4.640 0.002 0.000 0.249 228 D C 0.254 176.086 176.300 -0.781 0.000 1.168 228 D CA -0.796 52.874 54.000 -0.550 0.000 0.870 228 D CB 0.971 41.577 40.800 -0.323 0.000 1.411 228 D HN 0.079 nan 8.370 nan 0.000 0.525 229 Y N 2.326 122.518 120.300 -0.179 0.000 2.607 229 Y HA 0.179 4.730 4.550 0.001 0.000 0.266 229 Y C 1.131 176.893 175.900 -0.229 0.000 1.178 229 Y CA -0.530 57.468 58.100 -0.171 0.000 1.226 229 Y CB -0.213 38.158 38.460 -0.147 0.000 1.144 229 Y HN 0.405 nan 8.280 nan 0.000 0.528 230 N N 0.817 119.358 118.700 -0.265 0.000 2.721 230 N HA -0.188 4.554 4.740 0.002 0.000 0.249 230 N C -0.863 174.416 175.510 -0.386 0.000 1.072 230 N CA 0.214 53.034 53.050 -0.384 0.000 0.710 230 N CB -0.973 37.214 38.487 -0.501 0.000 0.993 230 N HN 0.132 nan 8.380 nan 0.000 0.547 231 I N 0.488 120.865 120.570 -0.322 0.000 2.664 231 I HA 0.120 4.291 4.170 0.002 0.000 0.284 231 I C 1.984 177.847 176.117 -0.423 0.000 1.154 231 I CA 1.531 62.602 61.300 -0.381 0.000 1.402 231 I CB -0.640 37.103 38.000 -0.427 0.000 1.395 231 I HN 0.515 nan 8.210 nan 0.000 0.545 232 G N 5.224 113.490 108.800 -0.889 0.000 2.166 232 G HA2 -0.185 3.776 3.960 0.002 0.000 0.260 232 G HA3 -0.185 3.776 3.960 0.002 0.000 0.260 232 G C 0.985 175.613 174.900 -0.452 0.000 0.986 232 G CA 0.521 45.099 45.100 -0.870 0.000 0.683 232 G HN 1.715 nan 8.290 nan 0.000 0.527 233 G N -1.149 107.379 108.800 -0.453 0.000 2.131 233 G HA2 -0.215 3.746 3.960 0.002 0.000 0.223 233 G HA3 -0.215 3.746 3.960 0.002 0.000 0.223 233 G C 0.723 175.569 174.900 -0.092 0.000 0.990 233 G CA 0.973 45.970 45.100 -0.173 0.000 0.671 233 G HN 0.542 nan 8.290 nan 0.000 0.521 234 D N 0.519 120.788 120.400 -0.218 0.000 2.123 234 D HA -0.055 4.586 4.640 0.002 0.000 0.196 234 D C 2.682 178.866 176.300 -0.194 0.000 0.992 234 D CA 1.738 55.581 54.000 -0.262 0.000 0.833 234 D CB -0.377 39.969 40.800 -0.756 0.000 0.954 234 D HN 0.702 nan 8.370 nan 0.000 0.455 235 A N 0.854 123.519 122.820 -0.258 0.000 1.902 235 A HA -0.174 4.147 4.320 0.002 0.000 0.217 235 A C 2.085 179.743 177.584 0.122 0.000 1.181 235 A CA 1.002 52.972 52.037 -0.112 0.000 0.623 235 A CB -0.986 17.884 19.000 -0.217 0.000 0.818 235 A HN 0.253 nan 8.150 nan 0.000 0.443 236 W N -0.000 121.325 121.300 0.042 0.000 2.358 236 W HA -0.082 4.580 4.660 0.003 0.000 0.303 236 W C 2.927 179.486 176.519 0.067 0.000 1.208 236 W CA 1.008 58.392 57.345 0.066 0.000 1.274 236 W CB -1.407 28.102 29.460 0.080 0.000 1.138 236 W HN 0.428 nan 8.180 nan 0.000 0.515 237 S N -0.448 115.431 115.700 0.299 0.000 2.402 237 S HA -0.115 4.356 4.470 0.002 0.000 0.229 237 S C 2.004 176.684 174.600 0.133 0.000 1.021 237 S CA 1.761 60.070 58.200 0.181 0.000 0.974 237 S CB -0.199 63.087 63.200 0.144 0.000 0.800 237 S HN 0.066 nan 8.310 nan 0.000 0.484 238 S N 0.933 116.757 115.700 0.207 0.000 2.377 238 S HA 0.080 4.551 4.470 0.002 0.000 0.223 238 S C 1.878 176.638 174.600 0.266 0.000 1.030 238 S CA 0.536 58.930 58.200 0.324 0.000 0.970 238 S CB -0.328 63.165 63.200 0.488 0.000 0.830 238 S HN 0.540 nan 8.310 nan 0.000 0.473 239 R N 0.758 121.389 120.500 0.218 0.000 2.127 239 R HA -0.047 4.294 4.340 0.002 0.000 0.238 239 R C 2.226 178.605 176.300 0.132 0.000 1.134 239 R CA 1.212 57.416 56.100 0.173 0.000 0.975 239 R CB -0.361 30.061 30.300 0.203 0.000 0.865 239 R HN 0.402 nan 8.270 nan 0.000 0.447 240 I N 0.692 121.340 120.570 0.129 0.000 2.315 240 I HA -0.240 3.931 4.170 0.002 0.000 0.248 240 I C 1.803 177.976 176.117 0.095 0.000 1.117 240 I CA 1.200 62.564 61.300 0.107 0.000 1.404 240 I CB 0.096 38.167 38.000 0.118 0.000 1.071 240 I HN 0.191 nan 8.210 nan 0.000 0.419 241 L N -0.403 120.854 121.223 0.057 0.000 2.056 241 L HA -0.190 4.151 4.340 0.002 0.000 0.207 241 L C 2.472 179.378 176.870 0.060 0.000 1.078 241 L CA 1.217 56.071 54.840 0.025 0.000 0.749 241 L CB -0.736 41.207 42.059 -0.193 0.000 0.901 241 L HN 0.260 nan 8.230 nan 0.000 0.433 242 L N -0.452 120.821 121.223 0.083 0.000 2.046 242 L HA -0.200 4.141 4.340 0.002 0.000 0.208 242 L C 2.621 179.488 176.870 -0.004 0.000 1.077 242 L CA 1.359 56.223 54.840 0.040 0.000 0.747 242 L CB -0.536 41.538 42.059 0.025 0.000 0.896 242 L HN 0.292 nan 8.230 nan 0.000 0.432 243 E N 0.067 120.279 120.200 0.020 0.000 2.106 243 E HA -0.218 4.133 4.350 0.002 0.000 0.192 243 E C 1.998 178.595 176.600 -0.004 0.000 0.984 243 E CA 1.054 57.456 56.400 0.004 0.000 0.806 243 E CB -0.051 29.667 29.700 0.031 0.000 0.750 243 E HN 0.546 nan 8.360 nan 0.000 0.458 244 E N 0.350 120.570 120.200 0.033 0.000 2.338 244 E HA -0.107 4.244 4.350 0.002 0.000 0.197 244 E C 1.809 178.416 176.600 0.011 0.000 1.007 244 E CA 0.417 56.842 56.400 0.042 0.000 0.849 244 E CB -0.018 29.750 29.700 0.113 0.000 0.774 244 E HN 0.185 nan 8.360 nan 0.000 0.506 245 M N -0.748 118.847 119.600 -0.008 0.000 2.618 245 M HA 0.049 4.530 4.480 0.002 0.000 0.240 245 M C 0.918 177.132 176.300 -0.142 0.000 1.123 245 M CA 1.032 56.305 55.300 -0.046 0.000 1.060 245 M CB 0.496 33.077 32.600 -0.031 0.000 1.535 245 M HN 0.231 nan 8.290 nan 0.000 0.507 246 G N 0.839 109.546 108.800 -0.155 0.000 2.176 246 G HA2 -0.202 3.759 3.960 0.002 0.000 0.232 246 G HA3 -0.202 3.759 3.960 0.002 0.000 0.232 246 G C -0.016 174.679 174.900 -0.342 0.000 0.986 246 G CA -0.039 44.904 45.100 -0.262 0.000 0.643 246 G HN 0.420 nan 8.290 nan 0.000 0.522 247 L N 0.153 121.221 121.223 -0.259 0.000 2.439 247 L HA 0.615 4.956 4.340 0.002 0.000 0.261 247 L C 1.022 177.857 176.870 -0.058 0.000 1.153 247 L CA -0.816 53.896 54.840 -0.213 0.000 0.808 247 L CB 1.135 43.049 42.059 -0.242 0.000 1.126 247 L HN 0.221 nan 8.230 nan 0.000 0.460 248 R N 0.891 121.407 120.500 0.027 0.000 2.343 248 R HA 0.389 4.730 4.340 0.002 0.000 0.320 248 R C -1.506 174.845 176.300 0.085 0.000 0.956 248 R CA -0.536 55.607 56.100 0.073 0.000 0.836 248 R CB 1.116 31.488 30.300 0.120 0.000 1.151 248 R HN 0.621 nan 8.270 nan 0.000 0.450 249 C N 5.301 124.650 119.300 0.080 0.000 2.168 249 C HA 0.183 4.644 4.460 0.002 0.000 0.333 249 C C 1.749 176.806 174.990 0.111 0.000 1.106 249 C CA -0.746 58.323 59.018 0.085 0.000 1.574 249 C CB 0.153 27.940 27.740 0.077 0.000 2.055 249 C HN 0.786 nan 8.230 nan 0.000 0.473 250 V N 2.552 122.538 119.914 0.120 0.000 2.548 250 V HA 0.005 4.126 4.120 0.002 0.000 0.249 250 V C 1.306 177.457 176.094 0.096 0.000 1.055 250 V CA 1.897 64.267 62.300 0.117 0.000 1.065 250 V CB -0.419 31.464 31.823 0.100 0.000 0.681 250 V HN 0.941 nan 8.190 nan 0.000 0.462 251 A N -0.833 122.059 122.820 0.119 0.000 2.539 251 A HA 0.766 5.087 4.320 0.002 0.000 0.296 251 A C -0.963 176.750 177.584 0.215 0.000 1.073 251 A CA -0.571 51.582 52.037 0.194 0.000 0.700 251 A CB 1.676 20.874 19.000 0.330 0.000 1.296 251 A HN 0.270 nan 8.150 nan 0.000 0.405 252 Q N 0.404 120.363 119.800 0.264 0.000 2.292 252 Q HA 0.405 4.746 4.340 0.002 0.000 0.270 252 Q C -2.092 174.076 176.000 0.281 0.000 1.024 252 Q CA -0.142 55.779 55.803 0.197 0.000 0.768 252 Q CB 2.148 30.958 28.738 0.120 0.000 1.250 252 Q HN 0.671 nan 8.270 nan 0.000 0.447 253 W N 1.597 122.795 121.300 -0.170 0.000 2.362 253 W HA 0.306 4.968 4.660 0.002 0.000 0.316 253 W C 0.485 176.736 176.519 -0.446 0.000 1.024 253 W CA -0.764 56.444 57.345 -0.228 0.000 1.270 253 W CB 1.612 30.955 29.460 -0.195 0.000 1.273 253 W HN 0.628 nan 8.180 nan 0.000 0.424 254 S N 0.903 116.467 115.700 -0.227 0.000 2.819 254 S HA 0.317 4.788 4.470 0.002 0.000 0.249 254 S C 0.616 175.193 174.600 -0.038 0.000 1.030 254 S CA -0.360 57.803 58.200 -0.061 0.000 1.052 254 S CB -0.035 63.126 63.200 -0.065 0.000 1.017 254 S HN 0.451 nan 8.310 nan 0.000 0.576 255 G N 1.271 110.012 108.800 -0.098 0.000 2.365 255 G HA2 0.360 4.321 3.960 0.002 0.000 0.249 255 G HA3 0.360 4.321 3.960 0.002 0.000 0.249 255 G C 0.138 175.011 174.900 -0.046 0.000 1.288 255 G CA 0.282 45.338 45.100 -0.074 0.000 0.887 255 G HN 0.364 nan 8.290 nan 0.000 0.524 256 D N 0.108 120.522 120.400 0.024 0.000 2.837 256 D HA -0.127 4.514 4.640 0.002 0.000 0.230 256 D C 0.941 177.325 176.300 0.139 0.000 1.152 256 D CA 1.567 55.662 54.000 0.159 0.000 0.736 256 D CB -1.103 39.851 40.800 0.257 0.000 1.084 256 D HN 0.788 nan 8.370 nan 0.000 0.429 257 G N -0.396 108.437 108.800 0.054 0.000 2.400 257 G HA2 0.546 4.507 3.960 0.002 0.000 0.301 257 G HA3 0.546 4.507 3.960 0.002 0.000 0.301 257 G C 0.036 174.933 174.900 -0.005 0.000 1.154 257 G CA 0.134 45.238 45.100 0.006 0.000 0.852 257 G HN 0.534 nan 8.290 nan 0.000 0.511 258 S N 1.355 117.045 115.700 -0.016 0.000 2.664 258 S HA 0.408 4.879 4.470 0.002 0.000 0.304 258 S C 1.306 175.865 174.600 -0.069 0.000 1.099 258 S CA -0.811 57.384 58.200 -0.009 0.000 1.003 258 S CB 1.778 64.994 63.200 0.027 0.000 1.092 258 S HN 0.536 nan 8.310 nan 0.000 0.525 259 I N 1.425 121.971 120.570 -0.040 0.000 2.252 259 I HA -0.181 3.990 4.170 0.002 0.000 0.245 259 I C 2.495 178.572 176.117 -0.066 0.000 1.102 259 I CA 1.849 63.114 61.300 -0.059 0.000 1.385 259 I CB -0.349 37.645 38.000 -0.011 0.000 1.064 259 I HN 0.922 nan 8.210 nan 0.000 0.414 260 S N 0.051 115.732 115.700 -0.032 0.000 2.382 260 S HA -0.236 4.235 4.470 0.002 0.000 0.228 260 S C 1.759 176.325 174.600 -0.058 0.000 1.027 260 S CA 1.402 59.584 58.200 -0.031 0.000 0.991 260 S CB -0.660 62.539 63.200 -0.001 0.000 0.823 260 S HN 0.573 nan 8.310 nan 0.000 0.469 261 E N 0.906 121.074 120.200 -0.052 0.000 2.077 261 E HA -0.067 4.284 4.350 0.002 0.000 0.193 261 E C 2.020 178.599 176.600 -0.036 0.000 0.989 261 E CA 1.295 57.675 56.400 -0.033 0.000 0.800 261 E CB -0.244 29.458 29.700 0.002 0.000 0.746 261 E HN 0.457 nan 8.360 nan 0.000 0.452 262 I N 1.381 121.835 120.570 -0.193 0.000 2.315 262 I HA -0.206 3.966 4.170 0.002 0.000 0.248 262 I C 1.992 178.074 176.117 -0.059 0.000 1.117 262 I CA 1.415 62.516 61.300 -0.333 0.000 1.404 262 I CB -0.978 36.614 38.000 -0.679 0.000 1.071 262 I HN 0.152 nan 8.210 nan 0.000 0.419 263 E N 0.561 120.717 120.200 -0.073 0.000 2.204 263 E HA -0.110 4.241 4.350 0.002 0.000 0.194 263 E C 2.041 178.594 176.600 -0.078 0.000 0.989 263 E CA 0.680 57.056 56.400 -0.040 0.000 0.824 263 E CB 0.006 29.685 29.700 -0.034 0.000 0.756 263 E HN 0.444 nan 8.360 nan 0.000 0.477 264 L N 0.330 121.474 121.223 -0.131 0.000 2.592 264 L HA 0.027 4.368 4.340 0.002 0.000 0.227 264 L C 1.880 178.624 176.870 -0.211 0.000 1.127 264 L CA 0.230 54.896 54.840 -0.290 0.000 0.884 264 L CB 0.181 41.933 42.059 -0.512 0.000 1.065 264 L HN 0.081 nan 8.230 nan 0.000 0.457 265 T N 0.175 114.717 114.554 -0.020 0.000 2.867 265 T HA -0.061 4.290 4.350 0.002 0.000 0.268 265 T C -0.639 173.992 174.700 -0.116 0.000 1.057 265 T CA 0.911 63.033 62.100 0.036 0.000 1.136 265 T CB -0.725 68.348 68.868 0.341 0.000 0.874 265 T HN 0.189 nan 8.240 nan 0.000 0.466 266 P HA -0.052 nan 4.420 nan 0.000 0.223 266 P C 1.152 178.235 177.300 -0.363 0.000 1.144 266 P CA 0.961 63.696 63.100 -0.608 0.000 0.783 266 P CB 0.007 31.111 31.700 -0.994 0.000 0.771 267 K N -0.817 119.464 120.400 -0.199 0.000 2.444 267 K HA 0.091 4.412 4.320 0.002 0.000 0.193 267 K C 0.823 177.442 176.600 0.031 0.000 1.024 267 K CA 0.079 56.333 56.287 -0.055 0.000 1.077 267 K CB -0.841 31.661 32.500 0.004 0.000 0.833 267 K HN 0.175 nan 8.250 nan 0.000 0.517 268 V N -0.943 118.970 119.914 -0.001 0.000 2.953 268 V HA 0.258 4.379 4.120 0.002 0.000 0.304 268 V C 1.199 177.326 176.094 0.056 0.000 1.073 268 V CA -0.677 61.656 62.300 0.055 0.000 1.064 268 V CB 1.308 33.156 31.823 0.040 0.000 1.047 268 V HN -0.150 nan 8.190 nan 0.000 0.478 269 K N 1.269 121.726 120.400 0.094 0.000 2.076 269 K HA 0.260 4.581 4.320 0.002 0.000 0.204 269 K C 0.114 176.746 176.600 0.053 0.000 1.051 269 K CA 1.000 57.331 56.287 0.072 0.000 0.949 269 K CB -0.257 32.312 32.500 0.115 0.000 0.726 269 K HN 0.675 nan 8.250 nan 0.000 0.443 270 L N 0.494 121.781 121.223 0.106 0.000 2.455 270 L HA 0.318 4.660 4.340 0.002 0.000 0.264 270 L C -1.617 175.297 176.870 0.073 0.000 0.968 270 L CA -0.406 54.485 54.840 0.085 0.000 0.827 270 L CB 2.073 44.199 42.059 0.111 0.000 1.317 270 L HN -0.030 nan 8.230 nan 0.000 0.407 271 N N 4.535 123.276 118.700 0.068 0.000 2.437 271 N HA 0.554 5.295 4.740 0.002 0.000 0.259 271 N C -1.301 174.258 175.510 0.082 0.000 0.983 271 N CA -0.482 52.584 53.050 0.026 0.000 0.937 271 N CB 1.081 39.562 38.487 -0.009 0.000 1.122 271 N HN 0.481 nan 8.380 nan 0.000 0.499 272 L N 3.170 124.410 121.223 0.028 0.000 2.255 272 L HA 0.385 4.726 4.340 0.002 0.000 0.289 272 L C -0.529 176.485 176.870 0.239 0.000 1.046 272 L CA -0.825 54.057 54.840 0.070 0.000 0.816 272 L CB 1.099 43.034 42.059 -0.207 0.000 1.197 272 L HN 0.222 nan 8.230 nan 0.000 0.427 273 V N 3.392 123.497 119.914 0.318 0.000 2.333 273 V HA 0.107 4.228 4.120 0.002 0.000 0.274 273 V C 0.839 176.983 176.094 0.084 0.000 1.028 273 V CA -0.380 62.035 62.300 0.192 0.000 0.851 273 V CB 0.913 32.834 31.823 0.163 0.000 1.000 273 V HN 0.750 nan 8.190 nan 0.000 0.456 274 H N 3.400 122.355 119.070 -0.191 0.000 2.306 274 H HA 0.034 4.591 4.556 0.002 0.000 0.307 274 H C 1.146 176.280 175.328 -0.322 0.000 1.061 274 H CA 1.303 57.011 56.048 -0.566 0.000 1.359 274 H CB 0.657 30.074 29.762 -0.574 0.000 1.407 274 H HN 0.615 nan 8.280 nan 0.000 0.517 275 C N 2.496 121.766 119.300 -0.049 0.000 2.227 275 C HA 0.105 4.566 4.460 0.002 0.000 0.333 275 C C 1.631 176.586 174.990 -0.059 0.000 1.145 275 C CA -0.729 58.264 59.018 -0.042 0.000 1.643 275 C CB -2.120 25.680 27.740 0.101 0.000 2.185 275 C HN 0.594 nan 8.230 nan 0.000 0.497 276 Y N 4.644 124.838 120.300 -0.176 0.000 2.200 276 Y HA -0.082 4.469 4.550 0.002 0.000 0.290 276 Y C 2.429 178.185 175.900 -0.240 0.000 1.137 276 Y CA 2.235 60.226 58.100 -0.182 0.000 1.163 276 Y CB -0.251 38.139 38.460 -0.117 0.000 0.988 276 Y HN 0.733 nan 8.280 nan 0.000 0.518 277 R N 0.895 121.360 120.500 -0.059 0.000 2.080 277 R HA -0.174 4.167 4.340 0.002 0.000 0.236 277 R C 2.467 178.651 176.300 -0.194 0.000 1.137 277 R CA 2.340 58.358 56.100 -0.136 0.000 0.943 277 R CB -1.017 29.349 30.300 0.110 0.000 0.846 277 R HN 0.470 nan 8.270 nan 0.000 0.431 278 S N -1.263 114.313 115.700 -0.207 0.000 2.461 278 S HA -0.006 4.465 4.470 0.002 0.000 0.228 278 S C 1.541 176.074 174.600 -0.112 0.000 1.005 278 S CA 1.098 59.068 58.200 -0.384 0.000 0.942 278 S CB 0.100 62.919 63.200 -0.635 0.000 0.776 278 S HN 0.409 nan 8.310 nan 0.000 0.514 279 M N 1.342 120.812 119.600 -0.218 0.000 2.511 279 M HA 0.253 4.734 4.480 0.002 0.000 0.387 279 M C 0.759 176.769 176.300 -0.484 0.000 1.112 279 M CA 0.001 55.176 55.300 -0.208 0.000 0.921 279 M CB 0.452 32.974 32.600 -0.131 0.000 1.501 279 M HN 0.471 nan 8.290 nan 0.000 0.538 280 N N 0.092 118.278 118.700 -0.857 0.000 2.381 280 N HA -0.171 4.570 4.740 0.002 0.000 0.182 280 N C 1.081 176.071 175.510 -0.865 0.000 1.025 280 N CA 1.473 53.847 53.050 -1.125 0.000 0.888 280 N CB -0.382 37.122 38.487 -1.638 0.000 0.965 280 N HN 0.277 nan 8.380 nan 0.000 0.438 281 Y N 0.214 120.235 120.300 -0.465 0.000 2.114 281 Y HA -0.033 4.518 4.550 0.002 0.000 0.284 281 Y C 2.145 177.931 175.900 -0.191 0.000 1.143 281 Y CA 0.684 58.596 58.100 -0.313 0.000 1.135 281 Y CB -0.614 37.685 38.460 -0.270 0.000 0.980 281 Y HN 0.123 nan 8.280 nan 0.000 0.499 282 I N -0.628 119.948 120.570 0.010 0.000 2.546 282 I HA -0.207 3.964 4.170 0.002 0.000 0.255 282 I C 2.151 178.202 176.117 -0.109 0.000 1.163 282 I CA 1.133 62.458 61.300 0.041 0.000 1.457 282 I CB -0.451 37.610 38.000 0.101 0.000 1.092 282 I HN 0.037 nan 8.210 nan 0.000 0.434 283 S N 0.384 115.849 115.700 -0.392 0.000 2.368 283 S HA -0.132 4.339 4.470 0.002 0.000 0.224 283 S C 2.066 176.356 174.600 -0.518 0.000 1.029 283 S CA 1.105 58.936 58.200 -0.616 0.000 0.988 283 S CB -0.298 62.209 63.200 -1.156 0.000 0.838 283 S HN 0.438 nan 8.310 nan 0.000 0.462 284 R N 0.217 120.443 120.500 -0.456 0.000 2.081 284 R HA -0.116 4.226 4.340 0.002 0.000 0.235 284 R C 2.364 178.681 176.300 0.028 0.000 1.131 284 R CA 1.646 57.685 56.100 -0.100 0.000 0.960 284 R CB -0.498 29.764 30.300 -0.063 0.000 0.856 284 R HN 0.541 nan 8.270 nan 0.000 0.436 285 H N 0.691 119.738 119.070 -0.039 0.000 2.353 285 H HA -0.023 4.534 4.556 0.002 0.000 0.300 285 H C 1.981 177.334 175.328 0.042 0.000 1.090 285 H CA 1.858 57.915 56.048 0.016 0.000 1.327 285 H CB -0.039 29.749 29.762 0.043 0.000 1.383 285 H HN 0.041 nan 8.280 nan 0.000 0.508 286 M N -0.091 119.451 119.600 -0.096 0.000 2.229 286 M HA -0.123 4.358 4.480 0.002 0.000 0.264 286 M C 2.352 178.663 176.300 0.017 0.000 1.063 286 M CA 1.776 57.071 55.300 -0.008 0.000 1.114 286 M CB -0.138 32.525 32.600 0.105 0.000 1.387 286 M HN 0.502 nan 8.290 nan 0.000 0.420 287 E N 0.830 121.057 120.200 0.044 0.000 2.072 287 E HA -0.206 4.145 4.350 0.002 0.000 0.191 287 E C 1.627 178.232 176.600 0.009 0.000 0.985 287 E CA 1.357 57.813 56.400 0.092 0.000 0.801 287 E CB 0.169 29.997 29.700 0.212 0.000 0.750 287 E HN 0.526 nan 8.360 nan 0.000 0.452 288 E N 0.525 120.700 120.200 -0.041 0.000 2.028 288 E HA -0.172 4.179 4.350 0.002 0.000 0.191 288 E C 2.095 178.592 176.600 -0.171 0.000 0.988 288 E CA 1.178 57.536 56.400 -0.070 0.000 0.799 288 E CB -0.018 29.659 29.700 -0.038 0.000 0.755 288 E HN 0.075 nan 8.360 nan 0.000 0.447 289 K N -0.174 120.005 120.400 -0.369 0.000 2.031 289 K HA -0.097 4.224 4.320 0.002 0.000 0.205 289 K C 1.158 177.427 176.600 -0.552 0.000 1.049 289 K CA 1.141 57.097 56.287 -0.552 0.000 0.939 289 K CB 0.114 32.041 32.500 -0.954 0.000 0.717 289 K HN 0.144 nan 8.250 nan 0.000 0.438 290 Y N -0.920 119.311 120.300 -0.114 0.000 2.467 290 Y HA 0.279 4.830 4.550 0.002 0.000 0.250 290 Y C 1.291 177.172 175.900 -0.031 0.000 1.155 290 Y CA 0.197 58.265 58.100 -0.053 0.000 1.249 290 Y CB 1.016 39.451 38.460 -0.042 0.000 1.146 290 Y HN 0.343 nan 8.280 nan 0.000 0.524 291 G N 0.969 109.815 108.800 0.077 0.000 2.184 291 G HA2 -0.331 3.631 3.960 0.002 0.000 0.264 291 G HA3 -0.331 3.631 3.960 0.002 0.000 0.264 291 G C 0.232 175.172 174.900 0.066 0.000 0.975 291 G CA 0.169 45.302 45.100 0.055 0.000 0.642 291 G HN 0.323 nan 8.290 nan 0.000 0.536 292 I N 3.595 124.224 120.570 0.098 0.000 2.598 292 I HA 0.206 4.377 4.170 0.002 0.000 0.284 292 I C -1.016 175.165 176.117 0.107 0.000 1.140 292 I CA -1.605 59.743 61.300 0.081 0.000 1.420 292 I CB 0.742 38.787 38.000 0.076 0.000 1.387 292 I HN 0.011 nan 8.210 nan 0.000 0.553 293 P HA 0.125 nan 4.420 nan 0.000 0.276 293 P C -1.406 175.979 177.300 0.142 0.000 1.244 293 P CA -0.269 62.856 63.100 0.041 0.000 0.801 293 P CB 0.817 32.481 31.700 -0.061 0.000 1.006 294 W N 2.655 123.932 121.300 -0.039 0.000 3.032 294 W HA 0.653 5.314 4.660 0.002 0.000 0.335 294 W C -1.485 175.025 176.519 -0.014 0.000 1.154 294 W CA -1.340 55.983 57.345 -0.036 0.000 1.204 294 W CB 1.050 30.480 29.460 -0.051 0.000 1.416 294 W HN 0.344 nan 8.180 nan 0.000 0.521 295 M N 0.806 120.541 119.600 0.225 0.000 2.484 295 M HA 0.566 5.047 4.480 0.002 0.000 0.289 295 M C -1.381 175.074 176.300 0.259 0.000 1.206 295 M CA -0.667 54.686 55.300 0.088 0.000 0.892 295 M CB 3.253 35.845 32.600 -0.013 0.000 1.712 295 M HN 0.441 nan 8.290 nan 0.000 0.462 296 E N 2.501 122.827 120.200 0.211 0.000 2.283 296 E HA 0.463 4.814 4.350 0.002 0.000 0.278 296 E C -1.676 175.030 176.600 0.177 0.000 1.027 296 E CA -0.360 56.171 56.400 0.219 0.000 0.843 296 E CB 1.005 30.806 29.700 0.169 0.000 1.062 296 E HN 0.598 nan 8.360 nan 0.000 0.401 297 Y N 0.443 120.713 120.300 -0.051 0.000 2.576 297 Y HA 0.604 5.155 4.550 0.002 0.000 0.346 297 Y C -1.090 174.719 175.900 -0.151 0.000 1.018 297 Y CA -1.602 56.411 58.100 -0.145 0.000 1.050 297 Y CB 1.383 39.667 38.460 -0.294 0.000 1.280 297 Y HN 0.284 nan 8.280 nan 0.000 0.474 298 N N 2.112 120.708 118.700 -0.172 0.000 2.399 298 N HA 0.292 5.033 4.740 0.002 0.000 0.284 298 N C -1.690 173.839 175.510 0.032 0.000 1.025 298 N CA -0.755 52.118 53.050 -0.296 0.000 0.885 298 N CB 0.699 38.833 38.487 -0.589 0.000 1.339 298 N HN 0.684 nan 8.380 nan 0.000 0.487 299 F N 2.460 122.270 119.950 -0.234 0.000 2.750 299 F HA 0.399 4.927 4.527 0.002 0.000 0.297 299 F C -0.254 175.195 175.800 -0.584 0.000 1.138 299 F CA -0.845 56.943 58.000 -0.355 0.000 1.346 299 F CB -0.554 38.286 39.000 -0.267 0.000 0.965 299 F HN 0.339 nan 8.300 nan 0.000 0.514 300 F N 0.865 120.691 119.950 -0.207 0.000 2.335 300 F HA 0.540 5.068 4.527 0.002 0.000 0.365 300 F C 0.932 176.469 175.800 -0.437 0.000 1.122 300 F CA -0.375 57.430 58.000 -0.326 0.000 1.151 300 F CB 0.319 39.146 39.000 -0.289 0.000 1.282 300 F HN 0.221 nan 8.300 nan 0.000 0.513 301 G N 5.029 113.602 108.800 -0.378 0.000 2.712 301 G HA2 -0.158 3.804 3.960 0.002 0.000 0.683 301 G HA3 -0.158 3.804 3.960 0.002 0.000 0.683 301 G C -2.253 172.183 174.900 -0.773 0.000 1.320 301 G CA -0.671 43.993 45.100 -0.726 0.000 0.847 301 G HN 0.368 nan 8.290 nan 0.000 0.553 302 P HA -0.046 nan 4.420 nan 0.000 0.217 302 P C 1.758 178.678 177.300 -0.634 0.000 1.154 302 P CA 2.365 64.918 63.100 -0.912 0.000 0.841 302 P CB -0.047 30.655 31.700 -1.663 0.000 0.788 303 T N 0.695 114.922 114.554 -0.545 0.000 2.708 303 T HA -0.090 4.261 4.350 0.002 0.000 0.266 303 T C 1.905 176.466 174.700 -0.232 0.000 1.037 303 T CA 1.314 63.218 62.100 -0.326 0.000 1.146 303 T CB -0.360 68.359 68.868 -0.248 0.000 0.865 303 T HN 0.106 nan 8.240 nan 0.000 0.435 304 K N 0.876 121.129 120.400 -0.244 0.000 2.057 304 K HA 0.011 4.332 4.320 0.002 0.000 0.206 304 K C 2.554 179.091 176.600 -0.105 0.000 1.050 304 K CA 1.167 57.353 56.287 -0.169 0.000 0.935 304 K CB -0.882 31.507 32.500 -0.185 0.000 0.715 304 K HN 0.317 nan 8.250 nan 0.000 0.439 305 T N 2.013 116.433 114.554 -0.225 0.000 2.777 305 T HA -0.030 4.321 4.350 0.002 0.000 0.266 305 T C 2.085 176.679 174.700 -0.176 0.000 1.040 305 T CA 0.963 62.885 62.100 -0.298 0.000 1.141 305 T CB -0.125 68.186 68.868 -0.929 0.000 0.868 305 T HN 0.110 nan 8.240 nan 0.000 0.444 306 I N 0.858 121.349 120.570 -0.131 0.000 2.252 306 I HA -0.134 4.037 4.170 0.002 0.000 0.245 306 I C 2.760 178.891 176.117 0.024 0.000 1.102 306 I CA 1.270 62.577 61.300 0.012 0.000 1.385 306 I CB -0.319 37.700 38.000 0.031 0.000 1.064 306 I HN 0.337 nan 8.210 nan 0.000 0.414 307 E N 0.770 120.964 120.200 -0.010 0.000 2.077 307 E HA -0.207 4.144 4.350 0.002 0.000 0.193 307 E C 2.234 178.858 176.600 0.039 0.000 0.989 307 E CA 1.605 58.007 56.400 0.002 0.000 0.800 307 E CB 0.112 29.792 29.700 -0.033 0.000 0.746 307 E HN 0.348 nan 8.360 nan 0.000 0.452 308 S N 0.553 116.302 115.700 0.082 0.000 2.368 308 S HA -0.077 4.394 4.470 0.002 0.000 0.224 308 S C 1.960 176.656 174.600 0.161 0.000 1.029 308 S CA 0.756 59.045 58.200 0.149 0.000 0.988 308 S CB -0.151 63.222 63.200 0.287 0.000 0.838 308 S HN 0.257 nan 8.310 nan 0.000 0.462 309 L N 0.838 122.171 121.223 0.183 0.000 2.046 309 L HA -0.092 4.249 4.340 0.002 0.000 0.208 309 L C 2.709 179.637 176.870 0.097 0.000 1.077 309 L CA 1.277 56.204 54.840 0.144 0.000 0.747 309 L CB -0.373 41.752 42.059 0.111 0.000 0.896 309 L HN 0.209 nan 8.230 nan 0.000 0.432 310 R N -0.372 120.177 120.500 0.082 0.000 2.092 310 R HA -0.104 4.238 4.340 0.002 0.000 0.231 310 R C 2.413 178.750 176.300 0.062 0.000 1.119 310 R CA 1.235 57.375 56.100 0.067 0.000 0.970 310 R CB -0.414 29.918 30.300 0.053 0.000 0.864 310 R HN 0.351 nan 8.270 nan 0.000 0.440 311 A N 1.105 123.958 122.820 0.055 0.000 1.898 311 A HA -0.114 4.207 4.320 0.002 0.000 0.216 311 A C 2.123 179.744 177.584 0.060 0.000 1.181 311 A CA 1.113 53.175 52.037 0.042 0.000 0.620 311 A CB -0.400 18.615 19.000 0.026 0.000 0.819 311 A HN 0.161 nan 8.150 nan 0.000 0.442 312 I N -0.262 120.353 120.570 0.075 0.000 2.252 312 I HA -0.249 3.922 4.170 0.002 0.000 0.245 312 I C 2.905 179.159 176.117 0.227 0.000 1.102 312 I CA 1.043 62.412 61.300 0.114 0.000 1.385 312 I CB -0.268 37.761 38.000 0.048 0.000 1.064 312 I HN 0.348 nan 8.210 nan 0.000 0.414 313 A N 0.611 123.530 122.820 0.165 0.000 2.015 313 A HA -0.077 4.244 4.320 0.002 0.000 0.219 313 A C 2.455 180.183 177.584 0.239 0.000 1.163 313 A CA 1.513 53.664 52.037 0.189 0.000 0.646 313 A CB -0.633 18.419 19.000 0.086 0.000 0.806 313 A HN 0.432 nan 8.150 nan 0.000 0.448 314 A N -0.441 122.471 122.820 0.153 0.000 2.121 314 A HA -0.062 4.259 4.320 0.002 0.000 0.218 314 A C 1.848 179.478 177.584 0.076 0.000 1.154 314 A CA 1.325 53.422 52.037 0.100 0.000 0.679 314 A CB -0.214 18.817 19.000 0.052 0.000 0.795 314 A HN 0.297 nan 8.150 nan 0.000 0.458 315 K N -0.948 119.502 120.400 0.083 0.000 2.432 315 K HA 0.132 4.453 4.320 0.002 0.000 0.196 315 K C -0.494 175.878 176.600 -0.381 0.000 1.038 315 K CA 0.391 56.583 56.287 -0.159 0.000 0.986 315 K CB -0.265 32.083 32.500 -0.254 0.000 0.782 315 K HN 0.512 nan 8.250 nan 0.000 0.485 316 F N 0.574 120.554 119.950 0.050 0.000 2.661 316 F HA 0.148 4.676 4.527 0.002 0.000 0.347 316 F C 0.743 176.591 175.800 0.080 0.000 1.086 316 F CA -1.988 56.066 58.000 0.089 0.000 1.016 316 F CB 0.208 39.307 39.000 0.164 0.000 1.368 316 F HN -0.105 nan 8.300 nan 0.000 0.505 317 D N -0.430 120.168 120.400 0.331 0.000 2.349 317 D HA 0.008 4.650 4.640 0.002 0.000 0.239 317 D C 0.553 176.947 176.300 0.156 0.000 1.315 317 D CA -0.040 54.079 54.000 0.200 0.000 0.937 317 D CB 0.270 41.185 40.800 0.192 0.000 1.133 317 D HN 0.660 nan 8.370 nan 0.000 0.489 318 E N -0.985 119.277 120.200 0.103 0.000 2.204 318 E HA -0.174 4.177 4.350 0.002 0.000 0.194 318 E C 2.033 178.664 176.600 0.051 0.000 0.989 318 E CA 1.221 57.662 56.400 0.069 0.000 0.824 318 E CB -0.141 29.590 29.700 0.051 0.000 0.756 318 E HN 0.561 nan 8.360 nan 0.000 0.477 319 S N 1.009 116.741 115.700 0.054 0.000 2.368 319 S HA -0.135 4.336 4.470 0.002 0.000 0.225 319 S C 2.015 176.596 174.600 -0.033 0.000 1.030 319 S CA 0.659 58.866 58.200 0.012 0.000 0.999 319 S CB -0.191 63.019 63.200 0.017 0.000 0.844 319 S HN 0.089 nan 8.310 nan 0.000 0.459 320 I N 2.383 122.934 120.570 -0.033 0.000 2.252 320 I HA -0.111 4.060 4.170 0.002 0.000 0.245 320 I C 2.793 178.898 176.117 -0.020 0.000 1.102 320 I CA 1.271 62.517 61.300 -0.091 0.000 1.385 320 I CB -1.641 36.302 38.000 -0.096 0.000 1.064 320 I HN 0.469 nan 8.210 nan 0.000 0.414 321 Q N 0.425 120.245 119.800 0.033 0.000 2.167 321 Q HA -0.215 4.126 4.340 0.002 0.000 0.202 321 Q C 2.236 178.251 176.000 0.024 0.000 0.970 321 Q CA 1.227 57.054 55.803 0.041 0.000 0.855 321 Q CB -0.105 28.666 28.738 0.055 0.000 0.911 321 Q HN 0.450 nan 8.270 nan 0.000 0.438 322 K N 1.476 121.883 120.400 0.013 0.000 2.057 322 K HA -0.156 4.165 4.320 0.002 0.000 0.206 322 K C 1.717 178.317 176.600 0.000 0.000 1.050 322 K CA 1.175 57.466 56.287 0.007 0.000 0.935 322 K CB 0.134 32.635 32.500 0.002 0.000 0.715 322 K HN 0.007 nan 8.250 nan 0.000 0.439 323 K N 0.207 120.597 120.400 -0.018 0.000 2.211 323 K HA -0.136 4.185 4.320 0.002 0.000 0.203 323 K C 2.289 178.893 176.600 0.006 0.000 1.050 323 K CA 1.097 57.371 56.287 -0.023 0.000 0.945 323 K CB -0.235 32.225 32.500 -0.066 0.000 0.732 323 K HN 0.272 nan 8.250 nan 0.000 0.451 324 C N 1.747 121.057 119.300 0.016 0.000 2.453 324 C HA -0.066 4.395 4.460 0.002 0.000 0.277 324 C C 2.348 177.377 174.990 0.066 0.000 1.262 324 C CA 0.900 59.947 59.018 0.047 0.000 1.718 324 C CB -0.474 27.296 27.740 0.049 0.000 2.031 324 C HN 0.391 nan 8.230 nan 0.000 0.480 325 E N 0.713 120.942 120.200 0.048 0.000 2.204 325 E HA -0.138 4.213 4.350 0.002 0.000 0.194 325 E C 2.025 178.649 176.600 0.041 0.000 0.989 325 E CA 1.067 57.496 56.400 0.049 0.000 0.824 325 E CB -0.475 29.246 29.700 0.034 0.000 0.756 325 E HN 0.743 nan 8.360 nan 0.000 0.477 326 E N 0.275 120.493 120.200 0.029 0.000 2.072 326 E HA -0.095 4.256 4.350 0.002 0.000 0.191 326 E C 2.171 178.789 176.600 0.029 0.000 0.985 326 E CA 0.830 57.238 56.400 0.013 0.000 0.801 326 E CB 0.111 29.811 29.700 -0.000 0.000 0.750 326 E HN 0.004 nan 8.360 nan 0.000 0.452 327 V N 1.498 121.458 119.914 0.078 0.000 2.407 327 V HA -0.244 3.877 4.120 0.002 0.000 0.248 327 V C 2.170 178.375 176.094 0.185 0.000 1.055 327 V CA 1.392 63.792 62.300 0.166 0.000 1.049 327 V CB -0.325 31.635 31.823 0.228 0.000 0.662 327 V HN 0.278 nan 8.190 nan 0.000 0.455 328 I N 0.344 121.001 120.570 0.145 0.000 2.226 328 I HA -0.221 3.950 4.170 0.002 0.000 0.245 328 I C 2.652 178.796 176.117 0.045 0.000 1.100 328 I CA 1.481 62.856 61.300 0.125 0.000 1.374 328 I CB -0.603 37.486 38.000 0.149 0.000 1.057 328 I HN 0.295 nan 8.210 nan 0.000 0.413 329 A N 0.959 123.789 122.820 0.017 0.000 1.933 329 A HA -0.257 4.064 4.320 0.002 0.000 0.218 329 A C 2.393 179.921 177.584 -0.092 0.000 1.175 329 A CA 1.949 53.967 52.037 -0.033 0.000 0.628 329 A CB -0.516 18.466 19.000 -0.030 0.000 0.814 329 A HN 0.419 nan 8.150 nan 0.000 0.444 330 K N -1.532 118.798 120.400 -0.117 0.000 2.026 330 K HA -0.164 4.157 4.320 0.002 0.000 0.208 330 K C 1.355 177.747 176.600 -0.346 0.000 1.048 330 K CA 1.793 57.930 56.287 -0.251 0.000 0.929 330 K CB -0.342 31.953 32.500 -0.342 0.000 0.713 330 K HN 0.501 nan 8.250 nan 0.000 0.439 331 Y N 0.792 120.952 120.300 -0.235 0.000 2.466 331 Y HA 0.142 4.692 4.550 0.001 0.000 0.272 331 Y C 2.009 177.738 175.900 -0.285 0.000 1.169 331 Y CA 0.177 58.088 58.100 -0.314 0.000 1.285 331 Y CB 0.229 38.283 38.460 -0.676 0.000 1.078 331 Y HN 0.092 nan 8.280 nan 0.000 0.523 332 K N 1.455 121.762 120.400 -0.155 0.000 2.026 332 K HA -0.136 4.185 4.320 0.002 0.000 0.208 332 K C -0.794 175.428 176.600 -0.629 0.000 1.048 332 K CA 1.449 57.510 56.287 -0.376 0.000 0.929 332 K CB -0.941 31.438 32.500 -0.202 0.000 0.713 332 K HN 0.168 nan 8.250 nan 0.000 0.439 333 P HA -0.160 nan 4.420 nan 0.000 0.218 333 P C 0.530 177.703 177.300 -0.213 0.000 1.148 333 P CA 1.476 64.404 63.100 -0.286 0.000 0.822 333 P CB 0.030 31.619 31.700 -0.184 0.000 0.784 334 E N -0.219 119.916 120.200 -0.109 0.000 2.047 334 E HA -0.131 4.220 4.350 0.002 0.000 0.191 334 E C 2.247 178.946 176.600 0.165 0.000 0.987 334 E CA 1.173 57.603 56.400 0.051 0.000 0.799 334 E CB -0.557 29.239 29.700 0.160 0.000 0.752 334 E HN 0.511 nan 8.360 nan 0.000 0.449 335 W N 1.183 122.557 121.300 0.124 0.000 2.518 335 W HA 0.027 4.687 4.660 0.001 0.000 0.273 335 W C 1.096 177.742 176.519 0.211 0.000 1.247 335 W CA 0.430 57.927 57.345 0.253 0.000 1.288 335 W CB -0.393 29.232 29.460 0.275 0.000 1.107 335 W HN 0.000 nan 8.180 nan 0.000 0.586 336 E N 1.351 121.340 120.200 -0.351 0.000 2.072 336 E HA -0.129 4.222 4.350 0.002 0.000 0.191 336 E C 2.642 179.212 176.600 -0.050 0.000 0.985 336 E CA 1.555 57.737 56.400 -0.364 0.000 0.801 336 E CB -0.265 29.047 29.700 -0.647 0.000 0.750 336 E HN 0.282 nan 8.360 nan 0.000 0.452 337 A N 0.890 123.683 122.820 -0.045 0.000 1.930 337 A HA -0.113 4.208 4.320 0.002 0.000 0.217 337 A C 2.460 180.076 177.584 0.053 0.000 1.175 337 A CA 0.938 52.968 52.037 -0.012 0.000 0.627 337 A CB -0.459 18.526 19.000 -0.025 0.000 0.815 337 A HN 0.102 nan 8.150 nan 0.000 0.443 338 V N -0.506 119.502 119.914 0.156 0.000 2.358 338 V HA -0.197 3.924 4.120 0.002 0.000 0.246 338 V C 2.535 178.778 176.094 0.248 0.000 1.047 338 V CA 1.859 64.287 62.300 0.213 0.000 1.035 338 V CB -0.659 31.285 31.823 0.200 0.000 0.658 338 V HN 0.361 nan 8.190 nan 0.000 0.452 339 V N 0.277 120.388 119.914 0.328 0.000 2.358 339 V HA -0.220 3.901 4.120 0.002 0.000 0.246 339 V C 2.713 178.910 176.094 0.171 0.000 1.047 339 V CA 1.929 64.426 62.300 0.328 0.000 1.035 339 V CB -1.009 31.067 31.823 0.422 0.000 0.658 339 V HN 0.549 nan 8.190 nan 0.000 0.452 340 A N -0.046 122.830 122.820 0.094 0.000 1.883 340 A HA -0.294 4.028 4.320 0.002 0.000 0.217 340 A C 2.326 179.891 177.584 -0.031 0.000 1.186 340 A CA 2.411 54.461 52.037 0.022 0.000 0.624 340 A CB -0.472 18.519 19.000 -0.016 0.000 0.822 340 A HN 0.546 nan 8.150 nan 0.000 0.444 341 K N -1.998 118.341 120.400 -0.102 0.000 2.031 341 K HA -0.128 4.193 4.320 0.002 0.000 0.205 341 K C 1.752 178.150 176.600 -0.337 0.000 1.049 341 K CA 1.672 57.786 56.287 -0.288 0.000 0.939 341 K CB -0.298 31.896 32.500 -0.510 0.000 0.717 341 K HN 0.498 nan 8.250 nan 0.000 0.438 342 Y N 0.225 120.518 120.300 -0.012 0.000 2.397 342 Y HA 0.133 4.684 4.550 0.001 0.000 0.292 342 Y C 2.351 178.248 175.900 -0.005 0.000 1.115 342 Y CA 0.591 58.672 58.100 -0.031 0.000 1.208 342 Y CB -0.141 38.263 38.460 -0.093 0.000 1.046 342 Y HN 0.042 nan 8.280 nan 0.000 0.552 343 R N 0.667 121.265 120.500 0.164 0.000 2.081 343 R HA -0.124 4.218 4.340 0.002 0.000 0.235 343 R C -0.954 175.399 176.300 0.087 0.000 1.131 343 R CA 1.526 57.704 56.100 0.131 0.000 0.960 343 R CB -1.224 29.161 30.300 0.142 0.000 0.856 343 R HN 0.193 nan 8.270 nan 0.000 0.436 344 P HA -0.117 nan 4.420 nan 0.000 0.219 344 P C 0.484 177.809 177.300 0.042 0.000 1.146 344 P CA 1.432 64.556 63.100 0.040 0.000 0.808 344 P CB -0.077 31.634 31.700 0.017 0.000 0.779 345 R N -1.144 119.389 120.500 0.054 0.000 2.193 345 R HA 0.117 4.458 4.340 0.002 0.000 0.213 345 R C 1.581 177.917 176.300 0.060 0.000 1.055 345 R CA 0.804 56.940 56.100 0.060 0.000 0.995 345 R CB -0.336 30.017 30.300 0.088 0.000 0.893 345 R HN 0.284 nan 8.270 nan 0.000 0.459 346 L N -0.152 121.110 121.223 0.064 0.000 2.858 346 L HA 0.183 4.524 4.340 0.002 0.000 0.251 346 L C 0.275 177.176 176.870 0.053 0.000 1.149 346 L CA -0.313 54.558 54.840 0.052 0.000 0.955 346 L CB 0.395 42.483 42.059 0.049 0.000 1.289 346 L HN 0.011 nan 8.230 nan 0.000 0.542 347 E N 0.862 121.095 120.200 0.054 0.000 2.529 347 E HA 0.172 4.523 4.350 0.002 0.000 0.259 347 E C 1.295 177.915 176.600 0.033 0.000 0.966 347 E CA 1.335 57.765 56.400 0.049 0.000 0.937 347 E CB 0.364 30.091 29.700 0.045 0.000 0.923 347 E HN 0.307 nan 8.360 nan 0.000 0.468 348 G N 3.778 112.596 108.800 0.030 0.000 2.234 348 G HA2 -0.271 3.690 3.960 0.002 0.000 0.260 348 G HA3 -0.271 3.690 3.960 0.002 0.000 0.260 348 G C -0.064 174.838 174.900 0.004 0.000 0.987 348 G CA 0.287 45.396 45.100 0.015 0.000 0.625 348 G HN 0.467 nan 8.290 nan 0.000 0.532 349 K N 0.949 121.354 120.400 0.008 0.000 2.382 349 K HA 0.382 4.704 4.320 0.002 0.000 0.275 349 K C 0.713 177.295 176.600 -0.030 0.000 1.009 349 K CA 0.001 56.282 56.287 -0.010 0.000 0.970 349 K CB 0.643 33.141 32.500 -0.005 0.000 0.934 349 K HN 0.465 nan 8.250 nan 0.000 0.479 350 R N 0.812 121.278 120.500 -0.056 0.000 2.393 350 R HA 0.447 4.788 4.340 0.002 0.000 0.310 350 R C -0.516 175.710 176.300 -0.123 0.000 0.968 350 R CA -0.679 55.370 56.100 -0.084 0.000 0.867 350 R CB 1.695 31.952 30.300 -0.072 0.000 1.124 350 R HN 0.287 nan 8.270 nan 0.000 0.450 351 V N 4.594 124.401 119.914 -0.178 0.000 2.823 351 V HA 0.568 4.689 4.120 0.002 0.000 0.312 351 V C -0.974 174.990 176.094 -0.217 0.000 1.072 351 V CA -0.809 61.348 62.300 -0.238 0.000 0.937 351 V CB 2.109 33.689 31.823 -0.405 0.000 1.013 351 V HN 0.715 nan 8.190 nan 0.000 0.430 352 M N 6.505 126.010 119.600 -0.159 0.000 2.383 352 M HA 0.606 5.088 4.480 0.002 0.000 0.325 352 M C -1.354 174.947 176.300 0.001 0.000 1.092 352 M CA -0.415 54.855 55.300 -0.050 0.000 0.961 352 M CB 2.010 34.614 32.600 0.006 0.000 1.672 352 M HN 0.423 nan 8.290 nan 0.000 0.438 353 L N 2.316 123.584 121.223 0.075 0.000 2.354 353 L HA 0.611 4.952 4.340 0.002 0.000 0.269 353 L C -1.535 175.562 176.870 0.379 0.000 1.005 353 L CA -0.939 53.959 54.840 0.096 0.000 0.819 353 L CB 2.003 44.012 42.059 -0.082 0.000 1.311 353 L HN 0.559 nan 8.230 nan 0.000 0.423 354 Y N 3.539 123.949 120.300 0.184 0.000 2.301 354 Y HA 0.683 5.235 4.550 0.002 0.000 0.325 354 Y C -1.167 174.779 175.900 0.077 0.000 1.103 354 Y CA -0.820 57.456 58.100 0.292 0.000 1.182 354 Y CB 0.798 39.571 38.460 0.523 0.000 1.139 354 Y HN 0.392 nan 8.280 nan 0.000 0.443 355 I N 2.210 122.481 120.570 -0.498 0.000 3.509 355 I HA 0.578 4.750 4.170 0.002 0.000 0.311 355 I C 1.070 176.805 176.117 -0.636 0.000 1.178 355 I CA -0.928 60.024 61.300 -0.580 0.000 0.963 355 I CB 1.405 39.079 38.000 -0.543 0.000 1.352 355 I HN 0.574 nan 8.210 nan 0.000 0.482 356 G N 0.236 108.725 108.800 -0.518 0.000 2.705 356 G HA2 0.086 4.047 3.960 0.002 0.000 0.214 356 G HA3 0.086 4.047 3.960 0.002 0.000 0.214 356 G C 0.997 175.332 174.900 -0.941 0.000 1.321 356 G CA 1.199 45.880 45.100 -0.698 0.000 0.826 356 G HN 0.854 nan 8.290 nan 0.000 0.595 357 G N -1.550 107.119 108.800 -0.218 0.000 3.314 357 G HA2 0.352 4.313 3.960 0.002 0.000 0.230 357 G HA3 0.352 4.313 3.960 0.002 0.000 0.230 357 G C 0.913 175.972 174.900 0.265 0.000 1.058 357 G CA 0.821 46.016 45.100 0.159 0.000 0.926 357 G HN 0.455 nan 8.290 nan 0.000 0.564 358 L N -0.500 120.809 121.223 0.143 0.000 2.664 358 L HA 0.510 4.851 4.340 0.002 0.000 0.198 358 L C 2.284 179.139 176.870 -0.025 0.000 1.057 358 L CA 0.704 55.581 54.840 0.061 0.000 0.871 358 L CB -0.387 41.655 42.059 -0.029 0.000 1.364 358 L HN -0.045 nan 8.230 nan 0.000 0.483 359 R N 0.492 120.943 120.500 -0.082 0.000 2.159 359 R HA -0.114 4.227 4.340 0.002 0.000 0.237 359 R C -0.800 175.350 176.300 -0.249 0.000 1.131 359 R CA 1.782 57.798 56.100 -0.141 0.000 0.982 359 R CB -1.563 28.660 30.300 -0.129 0.000 0.868 359 R HN 0.393 nan 8.270 nan 0.000 0.453 360 P HA -0.183 nan 4.420 nan 0.000 0.220 360 P C 0.734 177.790 177.300 -0.407 0.000 1.148 360 P CA 1.438 64.184 63.100 -0.590 0.000 0.803 360 P CB 0.036 30.970 31.700 -1.277 0.000 0.782 361 R N -3.216 117.127 120.500 -0.262 0.000 2.316 361 R HA 0.150 4.491 4.340 0.002 0.000 0.201 361 R C 1.742 178.001 176.300 -0.070 0.000 0.888 361 R CA 0.209 56.240 56.100 -0.116 0.000 1.041 361 R CB -1.027 29.274 30.300 0.003 0.000 1.115 361 R HN 0.108 nan 8.270 nan 0.000 0.559 362 H N 1.282 120.241 119.070 -0.185 0.000 2.423 362 H HA -0.010 4.547 4.556 0.002 0.000 0.297 362 H C 1.792 176.924 175.328 -0.327 0.000 1.075 362 H CA 1.985 57.919 56.048 -0.190 0.000 1.342 362 H CB 0.523 30.218 29.762 -0.113 0.000 1.395 362 H HN 0.181 nan 8.280 nan 0.000 0.530 363 V N -1.815 117.864 119.914 -0.391 0.000 3.649 363 V HA 0.097 4.218 4.120 0.002 0.000 0.275 363 V C 1.854 177.886 176.094 -0.104 0.000 1.281 363 V CA 0.372 62.364 62.300 -0.513 0.000 1.143 363 V CB -0.635 30.857 31.823 -0.552 0.000 0.892 363 V HN 0.286 nan 8.190 nan 0.000 0.441 364 I N 2.213 122.745 120.570 -0.064 0.000 2.226 364 I HA -0.098 4.073 4.170 0.002 0.000 0.245 364 I C 2.740 178.873 176.117 0.026 0.000 1.100 364 I CA 1.879 63.190 61.300 0.020 0.000 1.374 364 I CB -0.799 37.163 38.000 -0.063 0.000 1.057 364 I HN 0.457 nan 8.210 nan 0.000 0.413 365 G N 0.540 109.295 108.800 -0.075 0.000 2.440 365 G HA2 -0.285 3.676 3.960 0.002 0.000 0.218 365 G HA3 -0.285 3.676 3.960 0.002 0.000 0.218 365 G C 1.861 176.698 174.900 -0.106 0.000 1.154 365 G CA 0.905 45.943 45.100 -0.103 0.000 0.767 365 G HN 0.502 nan 8.290 nan 0.000 0.552 366 A N 0.117 122.840 122.820 -0.162 0.000 1.877 366 A HA -0.004 4.317 4.320 0.002 0.000 0.216 366 A C 2.240 179.869 177.584 0.076 0.000 1.186 366 A CA 1.629 53.542 52.037 -0.207 0.000 0.620 366 A CB -0.684 17.922 19.000 -0.656 0.000 0.822 366 A HN 0.412 nan 8.150 nan 0.000 0.443 367 Y N 0.243 120.625 120.300 0.136 0.000 2.224 367 Y HA -0.166 4.385 4.550 0.002 0.000 0.289 367 Y C 2.501 178.458 175.900 0.096 0.000 1.146 367 Y CA 1.731 59.938 58.100 0.180 0.000 1.182 367 Y CB -0.296 38.220 38.460 0.093 0.000 0.983 367 Y HN 0.440 nan 8.280 nan 0.000 0.524 368 E N -0.173 120.139 120.200 0.188 0.000 2.072 368 E HA -0.192 4.159 4.350 0.002 0.000 0.191 368 E C 1.466 178.118 176.600 0.087 0.000 0.985 368 E CA 1.222 57.680 56.400 0.097 0.000 0.801 368 E CB -0.151 29.567 29.700 0.031 0.000 0.750 368 E HN 0.444 nan 8.360 nan 0.000 0.452 369 D N 0.344 120.779 120.400 0.059 0.000 2.351 369 D HA -0.109 4.532 4.640 0.002 0.000 0.216 369 D C 1.302 177.726 176.300 0.207 0.000 0.968 369 D CA 0.861 54.895 54.000 0.057 0.000 0.899 369 D CB 0.158 40.880 40.800 -0.128 0.000 0.907 369 D HN 0.205 nan 8.370 nan 0.000 0.514 370 L N -1.055 120.305 121.223 0.228 0.000 2.769 370 L HA 0.248 4.589 4.340 0.002 0.000 0.240 370 L C 1.403 178.366 176.870 0.155 0.000 1.163 370 L CA 0.040 55.013 54.840 0.222 0.000 0.962 370 L CB 0.483 42.660 42.059 0.198 0.000 1.258 370 L HN 0.021 nan 8.230 nan 0.000 0.513 371 G N 0.289 109.169 108.800 0.133 0.000 2.162 371 G HA2 -0.312 3.649 3.960 0.002 0.000 0.260 371 G HA3 -0.312 3.649 3.960 0.002 0.000 0.260 371 G C 0.340 175.292 174.900 0.087 0.000 0.976 371 G CA 0.209 45.366 45.100 0.096 0.000 0.655 371 G HN 0.269 nan 8.290 nan 0.000 0.533 372 M N 0.043 119.717 119.600 0.123 0.000 2.227 372 M HA 0.503 4.984 4.480 0.002 0.000 0.316 372 M C 0.438 176.775 176.300 0.061 0.000 1.144 372 M CA -0.081 55.283 55.300 0.107 0.000 1.121 372 M CB 1.117 33.841 32.600 0.207 0.000 1.440 372 M HN 0.249 nan 8.290 nan 0.000 0.473 373 E N 0.845 121.042 120.200 -0.005 0.000 2.222 373 E HA 0.419 4.771 4.350 0.002 0.000 0.267 373 E C -1.720 174.815 176.600 -0.108 0.000 0.884 373 E CA -0.659 55.717 56.400 -0.041 0.000 0.764 373 E CB 1.898 31.575 29.700 -0.038 0.000 1.169 373 E HN 0.441 nan 8.360 nan 0.000 0.413 374 V N 6.037 125.878 119.914 -0.122 0.000 2.304 374 V HA 0.040 4.162 4.120 0.002 0.000 0.262 374 V C 1.311 177.327 176.094 -0.129 0.000 1.061 374 V CA -0.202 61.993 62.300 -0.174 0.000 0.872 374 V CB 0.488 32.208 31.823 -0.172 0.000 1.077 374 V HN 0.691 nan 8.190 nan 0.000 0.480 375 V N 2.349 122.189 119.914 -0.122 0.000 2.591 375 V HA 0.386 4.507 4.120 0.002 0.000 0.249 375 V C 0.938 176.975 176.094 -0.095 0.000 1.053 375 V CA 1.286 63.527 62.300 -0.097 0.000 1.068 375 V CB -0.459 31.312 31.823 -0.087 0.000 0.689 375 V HN 0.749 nan 8.190 nan 0.000 0.462 376 G N -1.639 107.110 108.800 -0.086 0.000 2.667 376 G HA2 0.585 4.546 3.960 0.002 0.000 0.298 376 G HA3 0.585 4.546 3.960 0.002 0.000 0.298 376 G C -1.224 173.639 174.900 -0.062 0.000 1.377 376 G CA 0.183 45.255 45.100 -0.047 0.000 0.964 376 G HN 0.329 nan 8.290 nan 0.000 0.493 377 T N -1.165 113.208 114.554 -0.301 0.000 2.830 377 T HA 0.813 5.165 4.350 0.002 0.000 0.322 377 T C -0.351 173.844 174.700 -0.841 0.000 1.501 377 T CA 0.466 62.358 62.100 -0.346 0.000 1.036 377 T CB 1.596 70.297 68.868 -0.279 0.000 1.379 377 T HN 1.920 nan 8.240 nan 0.000 0.493 378 G N 1.025 109.571 108.800 -0.424 0.000 2.506 378 G HA2 0.606 4.568 3.960 0.002 0.000 0.292 378 G HA3 0.606 4.568 3.960 0.002 0.000 0.292 378 G C -2.573 172.375 174.900 0.080 0.000 1.425 378 G CA -0.567 44.450 45.100 -0.138 0.000 0.788 378 G HN 0.598 nan 8.290 nan 0.000 0.490 379 Y N -0.498 119.925 120.300 0.206 0.000 2.499 379 Y HA 0.509 5.060 4.550 0.002 0.000 0.347 379 Y C 1.341 177.245 175.900 0.007 0.000 0.987 379 Y CA -0.837 57.212 58.100 -0.085 0.000 1.044 379 Y CB 2.458 40.789 38.460 -0.214 0.000 1.245 379 Y HN 0.678 nan 8.280 nan 0.000 0.461 380 E N 1.149 121.212 120.200 -0.228 0.000 2.047 380 E HA -0.124 4.227 4.350 0.002 0.000 0.191 380 E C 0.160 176.838 176.600 0.131 0.000 0.987 380 E CA 1.721 58.097 56.400 -0.041 0.000 0.799 380 E CB 0.016 29.607 29.700 -0.183 0.000 0.752 380 E HN 0.632 nan 8.360 nan 0.000 0.449 381 F N -2.451 117.649 119.950 0.251 0.000 2.859 381 F HA 0.565 5.093 4.527 0.002 0.000 0.324 381 F C 0.042 175.988 175.800 0.244 0.000 1.158 381 F CA -1.017 57.124 58.000 0.235 0.000 1.147 381 F CB -0.536 38.565 39.000 0.168 0.000 1.137 381 F HN -0.208 nan 8.300 nan 0.000 0.516 382 A N 1.118 124.051 122.820 0.188 0.000 2.429 382 A HA 0.344 4.665 4.320 0.002 0.000 0.242 382 A C -0.049 177.760 177.584 0.376 0.000 1.088 382 A CA 0.101 52.163 52.037 0.042 0.000 0.784 382 A CB -0.079 18.373 19.000 -0.913 0.000 1.038 382 A HN 0.681 nan 8.150 nan 0.000 0.501 383 H N -0.579 118.549 119.070 0.097 0.000 2.630 383 H HA 0.186 4.743 4.556 0.002 0.000 0.343 383 H C 0.583 176.019 175.328 0.181 0.000 1.232 383 H CA -0.655 55.489 56.048 0.160 0.000 1.294 383 H CB 1.059 30.908 29.762 0.146 0.000 1.746 383 H HN 0.813 nan 8.280 nan 0.000 0.593 384 N N 0.466 119.341 118.700 0.292 0.000 2.272 384 N HA -0.184 4.557 4.740 0.002 0.000 0.185 384 N C 1.144 176.755 175.510 0.168 0.000 1.014 384 N CA 1.477 54.661 53.050 0.224 0.000 0.870 384 N CB -0.047 38.504 38.487 0.106 0.000 0.975 384 N HN 0.588 nan 8.380 nan 0.000 0.433 385 D N 0.130 120.614 120.400 0.140 0.000 2.219 385 D HA -0.151 4.490 4.640 0.002 0.000 0.205 385 D C 0.927 177.179 176.300 -0.079 0.000 0.970 385 D CA 1.041 55.066 54.000 0.040 0.000 0.851 385 D CB -0.371 40.477 40.800 0.079 0.000 0.943 385 D HN 0.207 nan 8.370 nan 0.000 0.488 386 D N -0.151 120.187 120.400 -0.102 0.000 2.117 386 D HA -0.152 4.489 4.640 0.002 0.000 0.198 386 D C 1.758 177.863 176.300 -0.323 0.000 0.982 386 D CA 0.921 54.733 54.000 -0.313 0.000 0.828 386 D CB -0.392 40.060 40.800 -0.581 0.000 0.967 386 D HN 0.312 nan 8.370 nan 0.000 0.464 387 Y N 1.676 121.876 120.300 -0.166 0.000 2.421 387 Y HA -0.111 4.440 4.550 0.002 0.000 0.292 387 Y C 2.093 177.964 175.900 -0.049 0.000 1.136 387 Y CA 0.711 58.763 58.100 -0.080 0.000 1.255 387 Y CB -0.059 38.364 38.460 -0.063 0.000 0.991 387 Y HN -0.092 nan 8.280 nan 0.000 0.552 388 D N -0.246 120.193 120.400 0.064 0.000 2.117 388 D HA -0.118 4.523 4.640 0.002 0.000 0.198 388 D C 2.106 178.395 176.300 -0.017 0.000 0.982 388 D CA 1.123 55.133 54.000 0.018 0.000 0.828 388 D CB -0.184 40.610 40.800 -0.011 0.000 0.967 388 D HN 0.332 nan 8.370 nan 0.000 0.464 389 R N 0.066 120.531 120.500 -0.058 0.000 2.090 389 R HA -0.018 4.323 4.340 0.002 0.000 0.228 389 R C 2.296 178.573 176.300 -0.039 0.000 1.110 389 R CA 1.192 57.247 56.100 -0.075 0.000 0.973 389 R CB -0.251 29.973 30.300 -0.126 0.000 0.869 389 R HN 0.106 nan 8.270 nan 0.000 0.440 390 T N 1.251 115.797 114.554 -0.013 0.000 2.777 390 T HA -0.096 4.255 4.350 0.002 0.000 0.266 390 T C 1.869 176.578 174.700 0.015 0.000 1.040 390 T CA 1.247 63.358 62.100 0.018 0.000 1.141 390 T CB -0.056 68.856 68.868 0.073 0.000 0.868 390 T HN 0.175 nan 8.240 nan 0.000 0.444 391 M N 1.578 121.197 119.600 0.033 0.000 2.117 391 M HA -0.120 4.361 4.480 0.002 0.000 0.262 391 M C 2.411 178.703 176.300 -0.013 0.000 1.065 391 M CA 1.573 56.882 55.300 0.015 0.000 1.114 391 M CB -0.616 31.999 32.600 0.025 0.000 1.361 391 M HN 0.336 nan 8.290 nan 0.000 0.408 392 K N -0.136 120.252 120.400 -0.020 0.000 2.211 392 K HA -0.088 4.233 4.320 0.002 0.000 0.203 392 K C 1.418 177.995 176.600 -0.038 0.000 1.050 392 K CA 1.031 57.300 56.287 -0.030 0.000 0.945 392 K CB -0.269 32.210 32.500 -0.035 0.000 0.732 392 K HN 0.231 nan 8.250 nan 0.000 0.451 393 E N 0.628 120.803 120.200 -0.043 0.000 2.150 393 E HA -0.000 4.351 4.350 0.002 0.000 0.193 393 E C 0.886 177.453 176.600 -0.055 0.000 0.985 393 E CA 0.721 57.088 56.400 -0.055 0.000 0.814 393 E CB -0.038 29.624 29.700 -0.064 0.000 0.752 393 E HN 0.342 nan 8.360 nan 0.000 0.466 394 M N 0.315 119.885 119.600 -0.051 0.000 2.247 394 M HA 0.291 4.773 4.480 0.002 0.000 0.326 394 M C 0.924 177.194 176.300 -0.049 0.000 1.134 394 M CA -0.245 55.020 55.300 -0.058 0.000 1.136 394 M CB 0.641 33.204 32.600 -0.062 0.000 1.454 394 M HN -0.126 nan 8.290 nan 0.000 0.467 395 G N 0.347 109.115 108.800 -0.053 0.000 2.562 395 G HA2 0.136 4.097 3.960 0.002 0.000 0.275 395 G HA3 0.136 4.097 3.960 0.002 0.000 0.275 395 G C -0.477 174.396 174.900 -0.044 0.000 1.196 395 G CA -0.450 44.623 45.100 -0.044 0.000 0.908 395 G HN 0.738 nan 8.290 nan 0.000 0.524 396 D N -0.663 119.715 120.400 -0.037 0.000 2.414 396 D HA 0.101 4.743 4.640 0.002 0.000 0.242 396 D C 0.577 176.852 176.300 -0.041 0.000 1.129 396 D CA 0.729 54.707 54.000 -0.036 0.000 0.885 396 D CB 0.636 41.419 40.800 -0.029 0.000 1.198 396 D HN 0.326 nan 8.370 nan 0.000 0.437 397 S N 0.671 116.344 115.700 -0.044 0.000 3.490 397 S HA -0.163 4.308 4.470 0.002 0.000 0.301 397 S C 0.367 174.929 174.600 -0.064 0.000 1.233 397 S CA 1.004 59.174 58.200 -0.050 0.000 0.914 397 S CB -1.993 61.181 63.200 -0.042 0.000 1.047 397 S HN 0.798 nan 8.310 nan 0.000 0.602 398 T N -0.111 114.401 114.554 -0.071 0.000 2.922 398 T HA 0.702 5.053 4.350 0.002 0.000 0.285 398 T C -0.045 174.590 174.700 -0.109 0.000 1.005 398 T CA -0.952 61.096 62.100 -0.087 0.000 1.061 398 T CB 1.552 70.368 68.868 -0.087 0.000 1.007 398 T HN 0.236 nan 8.240 nan 0.000 0.502 399 L N 2.239 123.384 121.223 -0.131 0.000 2.326 399 L HA 0.604 4.945 4.340 0.002 0.000 0.278 399 L C -1.050 175.672 176.870 -0.245 0.000 1.092 399 L CA -0.669 54.072 54.840 -0.166 0.000 0.810 399 L CB 0.320 42.254 42.059 -0.207 0.000 1.153 399 L HN 0.688 nan 8.230 nan 0.000 0.439 400 L N 6.405 127.482 121.223 -0.243 0.000 2.356 400 L HA 0.513 4.854 4.340 0.002 0.000 0.277 400 L C -1.372 175.372 176.870 -0.211 0.000 0.996 400 L CA -0.797 53.853 54.840 -0.317 0.000 0.822 400 L CB 1.512 43.517 42.059 -0.089 0.000 1.256 400 L HN 0.638 nan 8.230 nan 0.000 0.413 401 Y N -0.213 120.148 120.300 0.100 0.000 2.512 401 Y HA 0.681 5.232 4.550 0.002 0.000 0.348 401 Y C -0.996 175.109 175.900 0.342 0.000 0.990 401 Y CA -1.464 56.727 58.100 0.152 0.000 1.033 401 Y CB 1.536 40.052 38.460 0.094 0.000 1.259 401 Y HN 0.457 nan 8.280 nan 0.000 0.461 402 D N 1.501 122.182 120.400 0.468 0.000 2.502 402 D HA 0.278 4.919 4.640 0.002 0.000 0.249 402 D C -0.774 175.793 176.300 0.445 0.000 1.092 402 D CA -0.253 54.056 54.000 0.515 0.000 0.839 402 D CB 1.133 42.180 40.800 0.410 0.000 1.264 402 D HN 0.742 nan 8.370 nan 0.000 0.511 403 D N 2.688 123.386 120.400 0.496 0.000 2.689 403 D HA -0.201 4.440 4.640 0.002 0.000 0.237 403 D C -0.688 175.788 176.300 0.293 0.000 1.148 403 D CA 0.445 54.676 54.000 0.384 0.000 0.656 403 D CB -0.892 40.031 40.800 0.205 0.000 1.050 403 D HN 0.190 nan 8.370 nan 0.000 0.426 404 V N 0.984 121.080 119.914 0.305 0.000 2.763 404 V HA 0.329 4.450 4.120 0.002 0.000 0.306 404 V C 1.305 177.457 176.094 0.097 0.000 1.059 404 V CA 0.765 63.149 62.300 0.139 0.000 1.138 404 V CB 0.946 32.737 31.823 -0.052 0.000 0.940 404 V HN 0.516 nan 8.190 nan 0.000 0.489 405 T N 3.609 118.235 114.554 0.120 0.000 2.849 405 T HA 0.435 4.787 4.350 0.002 0.000 0.284 405 T C 1.338 176.111 174.700 0.121 0.000 1.004 405 T CA -0.038 62.142 62.100 0.133 0.000 1.021 405 T CB 1.253 70.237 68.868 0.193 0.000 1.013 405 T HN 0.995 nan 8.240 nan 0.000 0.527 406 G N -0.298 108.575 108.800 0.122 0.000 2.440 406 G HA2 -0.226 3.735 3.960 0.002 0.000 0.218 406 G HA3 -0.226 3.735 3.960 0.002 0.000 0.218 406 G C 1.188 176.151 174.900 0.105 0.000 1.154 406 G CA 0.985 46.142 45.100 0.096 0.000 0.767 406 G HN 0.894 nan 8.290 nan 0.000 0.552 407 Y N 1.222 121.521 120.300 -0.001 0.000 2.200 407 Y HA -0.008 4.543 4.550 0.002 0.000 0.290 407 Y C 2.720 178.523 175.900 -0.160 0.000 1.137 407 Y CA 2.099 60.169 58.100 -0.050 0.000 1.163 407 Y CB -0.087 38.362 38.460 -0.017 0.000 0.988 407 Y HN 0.335 nan 8.280 nan 0.000 0.518 408 E N -0.501 119.610 120.200 -0.148 0.000 2.077 408 E HA -0.206 4.145 4.350 0.002 0.000 0.193 408 E C 1.906 177.968 176.600 -0.896 0.000 0.989 408 E CA 1.374 57.382 56.400 -0.653 0.000 0.800 408 E CB -0.392 29.116 29.700 -0.319 0.000 0.746 408 E HN 0.483 nan 8.360 nan 0.000 0.452 409 F N 1.848 121.536 119.950 -0.436 0.000 2.186 409 F HA -0.146 4.382 4.527 0.002 0.000 0.299 409 F C 2.269 178.015 175.800 -0.090 0.000 1.090 409 F CA 1.464 59.317 58.000 -0.245 0.000 1.307 409 F CB -0.025 38.905 39.000 -0.116 0.000 1.019 409 F HN -0.021 nan 8.300 nan 0.000 0.489 410 E N -0.147 120.149 120.200 0.161 0.000 2.051 410 E HA -0.206 4.145 4.350 0.002 0.000 0.192 410 E C 2.039 178.607 176.600 -0.054 0.000 0.991 410 E CA 1.431 57.916 56.400 0.142 0.000 0.799 410 E CB -0.035 29.640 29.700 -0.042 0.000 0.748 410 E HN 0.329 nan 8.360 nan 0.000 0.449 411 E N 0.043 120.023 120.200 -0.367 0.000 2.072 411 E HA -0.151 4.200 4.350 0.002 0.000 0.191 411 E C 1.986 178.460 176.600 -0.211 0.000 0.985 411 E CA 0.743 56.906 56.400 -0.394 0.000 0.801 411 E CB -0.356 28.923 29.700 -0.702 0.000 0.750 411 E HN 0.325 nan 8.360 nan 0.000 0.452 412 F N 0.799 120.609 119.950 -0.233 0.000 2.134 412 F HA -0.139 4.389 4.527 0.002 0.000 0.299 412 F C 2.544 178.229 175.800 -0.192 0.000 1.097 412 F CA 0.419 58.270 58.000 -0.249 0.000 1.264 412 F CB -1.253 37.490 39.000 -0.428 0.000 1.001 412 F HN -0.153 nan 8.300 nan 0.000 0.479 413 V N 0.090 120.031 119.914 0.044 0.000 2.343 413 V HA -0.288 3.833 4.120 0.002 0.000 0.247 413 V C 2.316 178.433 176.094 0.039 0.000 1.051 413 V CA 1.779 64.097 62.300 0.030 0.000 1.036 413 V CB -0.596 31.282 31.823 0.092 0.000 0.654 413 V HN 0.279 nan 8.190 nan 0.000 0.451 414 K N -0.279 120.148 120.400 0.045 0.000 2.063 414 K HA -0.236 4.085 4.320 0.002 0.000 0.208 414 K C 2.376 178.981 176.600 0.009 0.000 1.048 414 K CA 1.722 58.025 56.287 0.026 0.000 0.928 414 K CB -0.228 32.272 32.500 -0.000 0.000 0.713 414 K HN 0.189 nan 8.250 nan 0.000 0.442 415 R N 1.437 121.941 120.500 0.008 0.000 2.057 415 R HA 0.016 4.357 4.340 0.002 0.000 0.229 415 R C 1.944 178.242 176.300 -0.003 0.000 1.136 415 R CA 1.334 57.438 56.100 0.007 0.000 0.952 415 R CB -0.451 29.862 30.300 0.021 0.000 0.848 415 R HN 0.137 nan 8.270 nan 0.000 0.430 416 I N 0.880 121.446 120.570 -0.007 0.000 2.315 416 I HA -0.163 4.008 4.170 0.002 0.000 0.248 416 I C 0.270 176.367 176.117 -0.033 0.000 1.117 416 I CA 0.896 62.178 61.300 -0.030 0.000 1.404 416 I CB -0.195 37.775 38.000 -0.050 0.000 1.071 416 I HN 0.212 nan 8.210 nan 0.000 0.419 417 K N 0.604 120.987 120.400 -0.028 0.000 3.653 417 K HA -0.147 4.175 4.320 0.002 0.000 0.275 417 K C -2.202 174.366 176.600 -0.054 0.000 0.962 417 K CA -0.249 56.018 56.287 -0.033 0.000 0.773 417 K CB -1.520 30.966 32.500 -0.022 0.000 1.463 417 K HN 0.332 nan 8.250 nan 0.000 0.450 418 P HA 0.012 nan 4.420 nan 0.000 0.272 418 P C 0.058 177.293 177.300 -0.108 0.000 1.230 418 P CA -0.088 62.956 63.100 -0.093 0.000 0.788 418 P CB 0.669 32.302 31.700 -0.111 0.000 0.949 419 D N -0.140 120.195 120.400 -0.109 0.000 2.194 419 D HA 0.010 4.651 4.640 0.002 0.000 0.204 419 D C 0.593 176.793 176.300 -0.168 0.000 0.964 419 D CA 1.303 55.230 54.000 -0.122 0.000 0.846 419 D CB 0.241 40.989 40.800 -0.086 0.000 0.962 419 D HN 0.177 nan 8.370 nan 0.000 0.490 420 L N 0.154 121.281 121.223 -0.160 0.000 2.434 420 L HA 0.448 4.790 4.340 0.002 0.000 0.260 420 L C -1.719 175.027 176.870 -0.207 0.000 0.983 420 L CA -0.632 54.101 54.840 -0.178 0.000 0.820 420 L CB 2.631 44.614 42.059 -0.127 0.000 1.361 420 L HN -0.255 nan 8.230 nan 0.000 0.410 421 I N 2.574 122.989 120.570 -0.257 0.000 2.509 421 I HA 0.679 4.851 4.170 0.002 0.000 0.293 421 I C -0.009 175.744 176.117 -0.607 0.000 1.020 421 I CA -0.638 60.451 61.300 -0.351 0.000 1.088 421 I CB 2.200 39.990 38.000 -0.350 0.000 1.267 421 I HN 0.755 nan 8.210 nan 0.000 0.430 422 G N 3.069 111.593 108.800 -0.461 0.000 2.675 422 G HA2 0.599 4.561 3.960 0.002 0.000 0.297 422 G HA3 0.599 4.561 3.960 0.002 0.000 0.297 422 G C -0.910 173.797 174.900 -0.322 0.000 1.399 422 G CA -0.164 44.675 45.100 -0.434 0.000 0.981 422 G HN 0.570 nan 8.290 nan 0.000 0.519 423 S N 0.907 116.359 115.700 -0.414 0.000 3.003 423 S HA 0.842 5.313 4.470 0.002 0.000 0.313 423 S C 0.569 175.424 174.600 0.424 0.000 1.230 423 S CA 0.207 58.474 58.200 0.113 0.000 0.977 423 S CB 0.604 63.952 63.200 0.246 0.000 1.340 423 S HN 1.095 nan 8.310 nan 0.000 0.608 424 G N 0.669 109.763 108.800 0.490 0.000 2.537 424 G HA2 0.469 4.430 3.960 0.002 0.000 0.297 424 G HA3 0.469 4.430 3.960 0.002 0.000 0.297 424 G C 0.670 175.656 174.900 0.145 0.000 1.310 424 G CA -0.191 45.092 45.100 0.304 0.000 1.027 424 G HN 0.619 nan 8.290 nan 0.000 0.505 425 I N -0.609 119.955 120.570 -0.010 0.000 2.361 425 I HA -0.047 4.124 4.170 0.002 0.000 0.251 425 I C 2.508 178.560 176.117 -0.107 0.000 1.133 425 I CA 1.466 62.718 61.300 -0.080 0.000 1.413 425 I CB -0.115 37.890 38.000 0.007 0.000 1.073 425 I HN 0.508 nan 8.210 nan 0.000 0.424 426 K N 0.032 120.408 120.400 -0.039 0.000 2.057 426 K HA -0.164 4.157 4.320 0.002 0.000 0.206 426 K C 1.952 178.501 176.600 -0.085 0.000 1.050 426 K CA 1.585 57.862 56.287 -0.016 0.000 0.935 426 K CB -0.144 32.367 32.500 0.019 0.000 0.715 426 K HN 0.275 nan 8.250 nan 0.000 0.439 427 E N 1.165 121.311 120.200 -0.091 0.000 2.072 427 E HA -0.125 4.226 4.350 0.002 0.000 0.190 427 E C 1.738 178.037 176.600 -0.500 0.000 0.982 427 E CA 0.925 57.243 56.400 -0.137 0.000 0.803 427 E CB -0.029 29.778 29.700 0.179 0.000 0.755 427 E HN 0.161 nan 8.360 nan 0.000 0.453 428 K N 0.057 119.853 120.400 -1.006 0.000 2.049 428 K HA -0.245 4.076 4.320 0.002 0.000 0.219 428 K C 1.651 177.650 176.600 -1.001 0.000 1.056 428 K CA 1.981 57.222 56.287 -1.744 0.000 0.946 428 K CB -0.324 31.301 32.500 -1.458 0.000 0.723 428 K HN 0.102 nan 8.250 nan 0.000 0.453 429 F N 0.745 120.492 119.950 -0.338 0.000 2.293 429 F HA -0.044 4.484 4.527 0.001 0.000 0.300 429 F C 2.090 177.765 175.800 -0.208 0.000 1.086 429 F CA 0.655 58.541 58.000 -0.191 0.000 1.375 429 F CB -0.355 38.573 39.000 -0.121 0.000 1.045 429 F HN 0.043 nan 8.300 nan 0.000 0.516 430 I N -1.074 119.365 120.570 -0.218 0.000 2.142 430 I HA -0.299 3.872 4.170 0.002 0.000 0.240 430 I C 2.113 177.984 176.117 -0.411 0.000 1.078 430 I CA 1.369 62.443 61.300 -0.376 0.000 1.343 430 I CB -0.526 37.087 38.000 -0.645 0.000 1.046 430 I HN -0.039 nan 8.210 nan 0.000 0.405 431 F N 0.806 120.711 119.950 -0.075 0.000 2.293 431 F HA -0.154 4.374 4.527 0.002 0.000 0.300 431 F C 2.621 178.454 175.800 0.055 0.000 1.086 431 F CA 1.049 59.050 58.000 0.002 0.000 1.375 431 F CB -0.843 38.206 39.000 0.081 0.000 1.045 431 F HN 0.098 nan 8.300 nan 0.000 0.516 432 Q N 0.225 120.160 119.800 0.225 0.000 2.119 432 Q HA -0.175 4.166 4.340 0.002 0.000 0.201 432 Q C 2.061 178.278 176.000 0.362 0.000 0.972 432 Q CA 1.223 57.275 55.803 0.415 0.000 0.847 432 Q CB -0.181 28.826 28.738 0.449 0.000 0.903 432 Q HN 0.411 nan 8.270 nan 0.000 0.433 433 K N 0.138 120.658 120.400 0.200 0.000 2.148 433 K HA -0.049 4.272 4.320 0.002 0.000 0.204 433 K C 1.813 178.494 176.600 0.135 0.000 1.050 433 K CA 0.973 57.346 56.287 0.143 0.000 0.942 433 K CB 0.027 32.567 32.500 0.067 0.000 0.724 433 K HN 0.223 nan 8.250 nan 0.000 0.446 434 M N -0.552 119.127 119.600 0.132 0.000 2.562 434 M HA 0.021 4.502 4.480 0.002 0.000 0.257 434 M C 0.778 177.157 176.300 0.133 0.000 1.099 434 M CA 0.875 56.249 55.300 0.123 0.000 1.099 434 M CB 0.442 33.138 32.600 0.160 0.000 1.427 434 M HN 0.433 nan 8.290 nan 0.000 0.489 435 G N 1.783 110.695 108.800 0.187 0.000 2.132 435 G HA2 -0.214 3.747 3.960 0.002 0.000 0.228 435 G HA3 -0.214 3.747 3.960 0.002 0.000 0.228 435 G C -0.113 174.706 174.900 -0.134 0.000 1.000 435 G CA -0.418 44.793 45.100 0.186 0.000 0.693 435 G HN 0.445 nan 8.290 nan 0.000 0.515 436 I N 0.975 121.418 120.570 -0.213 0.000 2.378 436 I HA 0.335 4.506 4.170 0.002 0.000 0.291 436 I C -2.141 173.555 176.117 -0.701 0.000 0.992 436 I CA -2.691 58.380 61.300 -0.383 0.000 1.154 436 I CB 2.115 40.059 38.000 -0.093 0.000 1.315 436 I HN -0.180 nan 8.210 nan 0.000 0.448 437 P HA 0.023 nan 4.420 nan 0.000 0.265 437 P C -1.115 176.114 177.300 -0.118 0.000 1.193 437 P CA 0.339 62.982 63.100 -0.761 0.000 0.765 437 P CB 0.274 31.634 31.700 -0.567 0.000 0.823 438 F N 3.658 123.604 119.950 -0.007 0.000 2.591 438 F HA 0.553 5.081 4.527 0.001 0.000 0.309 438 F C -0.884 174.980 175.800 0.106 0.000 1.098 438 F CA -0.850 57.175 58.000 0.042 0.000 0.937 438 F CB 1.677 40.726 39.000 0.082 0.000 1.250 438 F HN 0.063 nan 8.300 nan 0.000 0.447 439 R N 3.693 124.064 120.500 -0.214 0.000 2.621 439 R HA 0.300 4.641 4.340 0.002 0.000 0.292 439 R C -1.047 175.241 176.300 -0.020 0.000 0.969 439 R CA -0.895 55.233 56.100 0.047 0.000 0.887 439 R CB 1.955 32.293 30.300 0.062 0.000 1.180 439 R HN 0.771 nan 8.270 nan 0.000 0.450 440 E N 2.842 123.179 120.200 0.228 0.000 2.290 440 E HA 0.094 4.445 4.350 0.002 0.000 0.277 440 E C 0.621 177.366 176.600 0.242 0.000 1.035 440 E CA -0.010 56.539 56.400 0.249 0.000 0.873 440 E CB 0.793 30.572 29.700 0.132 0.000 1.029 440 E HN 0.198 nan 8.360 nan 0.000 0.419 441 M N 2.304 122.022 119.600 0.196 0.000 2.371 441 M HA 0.055 4.536 4.480 0.002 0.000 0.246 441 M C 0.925 177.109 176.300 -0.193 0.000 1.103 441 M CA 0.608 56.041 55.300 0.221 0.000 1.010 441 M CB -0.263 32.429 32.600 0.155 0.000 1.457 441 M HN 0.573 nan 8.290 nan 0.000 0.486 442 H N -1.028 117.901 119.070 -0.234 0.000 2.393 442 H HA 0.167 4.724 4.556 0.002 0.000 0.307 442 H C 1.831 176.803 175.328 -0.593 0.000 1.038 442 H CA 1.552 57.364 56.048 -0.392 0.000 1.351 442 H CB 0.327 29.975 29.762 -0.190 0.000 1.464 442 H HN 0.351 nan 8.280 nan 0.000 0.575 443 S N -0.666 114.902 115.700 -0.219 0.000 2.575 443 S HA -0.073 4.398 4.470 0.002 0.000 0.215 443 S C 0.292 174.764 174.600 -0.214 0.000 0.966 443 S CA -0.375 57.658 58.200 -0.280 0.000 0.911 443 S CB -0.640 62.449 63.200 -0.185 0.000 0.780 443 S HN 0.637 nan 8.310 nan 0.000 0.514 444 W N 1.613 122.794 121.300 -0.198 0.000 4.141 444 W HA -0.191 4.469 4.660 0.001 0.000 0.336 444 W C -0.266 176.105 176.519 -0.247 0.000 1.258 444 W CA -0.018 57.147 57.345 -0.300 0.000 0.747 444 W CB -2.442 26.663 29.460 -0.591 0.000 2.338 444 W HN 0.303 nan 8.180 nan 0.000 1.410 445 D N -0.584 119.727 120.400 -0.148 0.000 2.702 445 D HA -0.254 4.388 4.640 0.002 0.000 0.233 445 D C 0.224 176.270 176.300 -0.423 0.000 1.164 445 D CA 2.297 56.041 54.000 -0.426 0.000 0.638 445 D CB -1.247 39.543 40.800 -0.018 0.000 1.041 445 D HN 0.607 nan 8.370 nan 0.000 0.422 446 Y N -3.154 117.246 120.300 0.167 0.000 4.177 446 Y HA -0.294 4.257 4.550 0.002 0.000 0.227 446 Y C 1.100 177.094 175.900 0.157 0.000 1.154 446 Y CA 0.961 59.152 58.100 0.153 0.000 1.887 446 Y CB -2.241 36.307 38.460 0.147 0.000 1.594 446 Y HN 0.207 nan 8.280 nan 0.000 0.668 447 S N -0.989 114.816 115.700 0.176 0.000 3.012 447 S HA 0.888 5.359 4.470 0.002 0.000 0.254 447 S C 0.722 175.361 174.600 0.066 0.000 1.030 447 S CA 0.531 58.822 58.200 0.153 0.000 1.053 447 S CB 1.528 64.825 63.200 0.162 0.000 1.286 447 S HN 1.828 nan 8.310 nan 0.000 0.633 448 G N 0.921 109.715 108.800 -0.010 0.000 2.710 448 G HA2 -0.039 3.922 3.960 0.002 0.000 0.668 448 G HA3 -0.039 3.922 3.960 0.002 0.000 0.668 448 G C -3.139 171.800 174.900 0.066 0.000 1.320 448 G CA -0.407 44.609 45.100 -0.141 0.000 0.860 448 G HN 0.676 nan 8.290 nan 0.000 0.538 449 P HA 0.343 nan 4.420 nan 0.000 0.274 449 P C -0.307 177.054 177.300 0.101 0.000 1.237 449 P CA -0.032 63.083 63.100 0.025 0.000 0.793 449 P CB 0.593 32.340 31.700 0.078 0.000 0.977 450 Y N -1.754 118.408 120.300 -0.230 0.000 2.430 450 Y HA 0.170 4.721 4.550 0.002 0.000 0.248 450 Y C 1.000 176.810 175.900 -0.150 0.000 1.108 450 Y CA -0.271 57.666 58.100 -0.271 0.000 1.264 450 Y CB -0.992 37.081 38.460 -0.645 0.000 1.172 450 Y HN 0.397 nan 8.280 nan 0.000 0.520 451 H N 0.379 119.359 119.070 -0.151 0.000 2.683 451 H HA 0.453 5.010 4.556 0.002 0.000 0.339 451 H C 1.029 176.228 175.328 -0.215 0.000 1.081 451 H CA 0.779 56.655 56.048 -0.286 0.000 1.432 451 H CB 0.354 29.992 29.762 -0.206 0.000 1.462 451 H HN 0.446 nan 8.280 nan 0.000 0.557 452 G N 1.751 110.361 108.800 -0.316 0.000 2.693 452 G HA2 -0.295 3.666 3.960 0.002 0.000 0.226 452 G HA3 -0.295 3.666 3.960 0.002 0.000 0.226 452 G C 0.484 175.128 174.900 -0.428 0.000 1.354 452 G CA 0.067 44.820 45.100 -0.579 0.000 0.873 452 G HN 0.430 nan 8.290 nan 0.000 0.562 453 F N 0.322 120.076 119.950 -0.327 0.000 2.146 453 F HA 0.098 4.626 4.527 0.001 0.000 0.298 453 F C 2.572 178.377 175.800 0.008 0.000 1.096 453 F CA 1.913 59.802 58.000 -0.185 0.000 1.275 453 F CB -0.556 38.194 39.000 -0.418 0.000 1.008 453 F HN 0.418 nan 8.300 nan 0.000 0.480 454 D N -0.325 120.156 120.400 0.134 0.000 2.117 454 D HA -0.073 4.568 4.640 0.002 0.000 0.198 454 D C 2.552 178.943 176.300 0.152 0.000 0.982 454 D CA 1.449 55.547 54.000 0.163 0.000 0.828 454 D CB -0.881 40.004 40.800 0.141 0.000 0.967 454 D HN 0.264 nan 8.370 nan 0.000 0.464 455 G N -0.224 108.650 108.800 0.124 0.000 2.443 455 G HA2 -0.260 3.701 3.960 0.002 0.000 0.219 455 G HA3 -0.260 3.701 3.960 0.002 0.000 0.219 455 G C 1.363 176.351 174.900 0.146 0.000 1.131 455 G CA 0.084 45.269 45.100 0.142 0.000 0.775 455 G HN 0.204 nan 8.290 nan 0.000 0.547 456 F N 2.581 122.530 119.950 -0.002 0.000 2.216 456 F HA 0.077 4.605 4.527 0.002 0.000 0.300 456 F C 2.611 178.448 175.800 0.061 0.000 1.085 456 F CA 0.685 58.687 58.000 0.003 0.000 1.326 456 F CB -0.360 38.652 39.000 0.020 0.000 1.027 456 F HN 0.222 nan 8.300 nan 0.000 0.497 457 A N 0.586 123.378 122.820 -0.047 0.000 1.898 457 A HA -0.129 4.193 4.320 0.002 0.000 0.216 457 A C 2.327 179.797 177.584 -0.191 0.000 1.181 457 A CA 1.898 53.860 52.037 -0.125 0.000 0.620 457 A CB -1.113 17.922 19.000 0.058 0.000 0.819 457 A HN 0.438 nan 8.150 nan 0.000 0.442 458 I N -1.879 118.648 120.570 -0.073 0.000 2.315 458 I HA -0.184 3.987 4.170 0.002 0.000 0.248 458 I C 2.311 178.298 176.117 -0.218 0.000 1.117 458 I CA 1.250 62.521 61.300 -0.049 0.000 1.404 458 I CB -0.321 37.755 38.000 0.127 0.000 1.071 458 I HN 0.424 nan 8.210 nan 0.000 0.419 459 F N 1.999 121.611 119.950 -0.564 0.000 2.134 459 F HA -0.218 4.310 4.527 0.001 0.000 0.299 459 F C 2.436 177.763 175.800 -0.789 0.000 1.097 459 F CA 1.398 58.759 58.000 -1.065 0.000 1.264 459 F CB -0.384 38.020 39.000 -0.993 0.000 1.001 459 F HN -0.000 nan 8.300 nan 0.000 0.479 460 A N 0.729 123.050 122.820 -0.831 0.000 1.898 460 A HA -0.150 4.171 4.320 0.002 0.000 0.216 460 A C 2.467 179.384 177.584 -1.113 0.000 1.181 460 A CA 1.419 52.887 52.037 -0.948 0.000 0.620 460 A CB -0.806 17.675 19.000 -0.864 0.000 0.819 460 A HN 0.383 nan 8.150 nan 0.000 0.442 461 R N -0.155 119.721 120.500 -1.041 0.000 2.081 461 R HA -0.149 4.192 4.340 0.002 0.000 0.235 461 R C 1.237 177.261 176.300 -0.460 0.000 1.131 461 R CA 1.886 57.475 56.100 -0.851 0.000 0.960 461 R CB -0.480 29.569 30.300 -0.419 0.000 0.856 461 R HN 0.468 nan 8.270 nan 0.000 0.436 462 D N 0.097 120.259 120.400 -0.397 0.000 2.117 462 D HA -0.143 4.498 4.640 0.002 0.000 0.198 462 D C 1.989 178.132 176.300 -0.261 0.000 0.982 462 D CA 1.004 54.869 54.000 -0.224 0.000 0.828 462 D CB -0.064 40.685 40.800 -0.086 0.000 0.967 462 D HN 0.143 nan 8.370 nan 0.000 0.464 463 M N 0.471 119.771 119.600 -0.499 0.000 2.117 463 M HA -0.128 4.353 4.480 0.002 0.000 0.262 463 M C 1.878 178.053 176.300 -0.208 0.000 1.065 463 M CA 1.233 56.297 55.300 -0.394 0.000 1.114 463 M CB -0.977 31.239 32.600 -0.640 0.000 1.361 463 M HN 0.001 nan 8.290 nan 0.000 0.408 464 D N 0.500 120.755 120.400 -0.242 0.000 2.117 464 D HA -0.170 4.472 4.640 0.002 0.000 0.198 464 D C 2.152 178.457 176.300 0.008 0.000 0.982 464 D CA 1.685 55.639 54.000 -0.077 0.000 0.828 464 D CB -0.092 40.698 40.800 -0.017 0.000 0.967 464 D HN 0.442 nan 8.370 nan 0.000 0.464 465 M N -0.973 118.619 119.600 -0.013 0.000 2.117 465 M HA -0.092 4.389 4.480 0.002 0.000 0.262 465 M C 1.913 178.281 176.300 0.113 0.000 1.065 465 M CA 1.811 57.143 55.300 0.053 0.000 1.114 465 M CB -0.700 31.923 32.600 0.039 0.000 1.361 465 M HN -0.186 nan 8.290 nan 0.000 0.408 466 T N 1.611 116.237 114.554 0.121 0.000 2.770 466 T HA -0.011 4.340 4.350 0.002 0.000 0.263 466 T C 1.844 176.761 174.700 0.361 0.000 1.039 466 T CA 1.636 63.892 62.100 0.258 0.000 1.142 466 T CB -0.313 68.688 68.868 0.221 0.000 0.868 466 T HN 0.476 nan 8.240 nan 0.000 0.435 467 L N 1.168 122.486 121.223 0.159 0.000 2.056 467 L HA 0.003 4.344 4.340 0.002 0.000 0.207 467 L C 1.613 178.584 176.870 0.168 0.000 1.078 467 L CA 1.389 56.278 54.840 0.081 0.000 0.749 467 L CB -0.177 41.886 42.059 0.005 0.000 0.901 467 L HN 0.145 nan 8.230 nan 0.000 0.433 468 N N 0.390 119.189 118.700 0.165 0.000 2.322 468 N HA -0.029 4.712 4.740 0.002 0.000 0.194 468 N C 0.007 175.630 175.510 0.189 0.000 1.126 468 N CA 0.048 53.195 53.050 0.161 0.000 0.845 468 N CB -0.420 38.131 38.487 0.106 0.000 0.976 468 N HN 0.398 nan 8.380 nan 0.000 0.475 469 N N 1.912 120.768 118.700 0.260 0.000 2.479 469 N HA 0.023 4.764 4.740 0.002 0.000 0.257 469 N C -1.653 173.905 175.510 0.080 0.000 1.232 469 N CA -1.030 52.098 53.050 0.130 0.000 0.920 469 N CB 1.658 40.169 38.487 0.041 0.000 1.105 469 N HN -0.078 nan 8.380 nan 0.000 0.444 470 P HA -0.039 nan 4.420 nan 0.000 0.221 470 P C 1.486 178.747 177.300 -0.066 0.000 1.150 470 P CA 0.707 63.806 63.100 -0.003 0.000 0.800 470 P CB -0.071 31.624 31.700 -0.008 0.000 0.787 471 C N -2.900 116.268 119.300 -0.220 0.000 2.410 471 C HA -0.065 4.396 4.460 0.002 0.000 0.281 471 C C 2.303 177.123 174.990 -0.284 0.000 1.318 471 C CA -0.187 58.631 59.018 -0.332 0.000 1.776 471 C CB -2.299 25.116 27.740 -0.542 0.000 1.942 471 C HN 0.273 nan 8.230 nan 0.000 0.508 472 W N 1.370 122.693 121.300 0.038 0.000 2.465 472 W HA 0.062 4.723 4.660 0.002 0.000 0.268 472 W C 2.240 178.772 176.519 0.023 0.000 1.242 472 W CA 0.168 57.536 57.345 0.037 0.000 1.248 472 W CB -0.178 29.309 29.460 0.044 0.000 1.118 472 W HN 0.176 nan 8.180 nan 0.000 0.587 473 K N 0.404 120.920 120.400 0.194 0.000 2.444 473 K HA 0.032 4.353 4.320 0.002 0.000 0.193 473 K C 1.155 177.792 176.600 0.061 0.000 1.024 473 K CA 0.665 57.023 56.287 0.118 0.000 1.077 473 K CB -0.073 32.478 32.500 0.085 0.000 0.833 473 K HN 0.067 nan 8.250 nan 0.000 0.517 474 K N 0.579 121.003 120.400 0.041 0.000 2.387 474 K HA 0.165 4.487 4.320 0.002 0.000 0.198 474 K C 1.519 178.112 176.600 -0.012 0.000 1.022 474 K CA -0.086 56.198 56.287 -0.005 0.000 1.128 474 K CB 0.150 32.632 32.500 -0.031 0.000 0.853 474 K HN -0.013 nan 8.250 nan 0.000 0.523 475 L N 0.967 122.212 121.223 0.037 0.000 2.046 475 L HA -0.111 4.230 4.340 0.002 0.000 0.208 475 L C 1.425 178.272 176.870 -0.037 0.000 1.077 475 L CA 1.603 56.460 54.840 0.028 0.000 0.747 475 L CB -0.326 41.791 42.059 0.097 0.000 0.896 475 L HN 0.246 nan 8.230 nan 0.000 0.432 476 Q N 0.189 119.955 119.800 -0.056 0.000 2.261 476 Q HA 0.465 4.806 4.340 0.002 0.000 0.252 476 Q C -0.366 175.489 176.000 -0.242 0.000 0.915 476 Q CA -0.419 55.311 55.803 -0.122 0.000 0.915 476 Q CB 1.255 29.941 28.738 -0.086 0.000 1.204 476 Q HN 0.299 nan 8.270 nan 0.000 0.421 477 A N 5.229 127.798 122.820 -0.417 0.000 2.425 477 A HA 0.255 4.576 4.320 0.002 0.000 0.249 477 A C -1.940 175.246 177.584 -0.663 0.000 1.084 477 A CA -1.215 50.334 52.037 -0.813 0.000 0.781 477 A CB 0.100 18.163 19.000 -1.562 0.000 1.019 477 A HN 0.744 nan 8.150 nan 0.000 0.490 478 P HA -0.100 nan 4.420 nan 0.000 0.220 478 P C 0.809 178.100 177.300 -0.016 0.000 1.148 478 P CA 1.526 64.534 63.100 -0.152 0.000 0.803 478 P CB 0.025 31.720 31.700 -0.008 0.000 0.782 479 W N -1.584 119.725 121.300 0.016 0.000 3.290 479 W HA 0.380 5.041 4.660 0.002 0.000 0.287 479 W C -0.462 176.066 176.519 0.015 0.000 1.288 479 W CA -0.064 57.289 57.345 0.014 0.000 1.725 479 W CB -0.374 29.093 29.460 0.012 0.000 1.103 479 W HN -0.254 nan 8.180 nan 0.000 0.670 480 E N 0.000 120.076 120.200 -0.207 0.000 2.725 480 E HA 0.000 4.351 4.350 0.002 0.000 0.291 480 E CA 0.000 56.333 56.400 -0.112 0.000 0.976 480 E CB 0.000 29.737 29.700 0.061 0.000 0.812 480 E HN 0.000 nan 8.360 nan 0.000 0.440