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 2a2c_1_A DATA FIRST_RESID 2 DATA SEQUENCE ATESPATRRV QVAEHPRLLK LKEMFNSKFG SIPKFYVRAP GRVNIIGEHI DATA SEQUENCE DYCGYSVLPM AVEQDVLIAV EPVKTYALQL ANTNPLYPDF STSANNXXID DATA SEQUENCE KTKPLWHNYF LCGLKGIQEH FGLSNLTGMN CLVDGNIPPS SGLSSSSALV DATA SEQUENCE CCAGLVTLTV LGRNLSKVEL AEICAKSERY IGTEGGGMDQ SISFLAEEGT DATA SEQUENCE AKLIEFSPLR ATDVKLPSGA VFVIANSCVE MNKAATSHFN IRVMECRLAA DATA SEQUENCE KLLAKYKSLQ WDKVLRLEEV QAKLGISLEE MLLVTEDALH PEPYNPEEIC DATA SEQUENCE RCLGISLEEL RTQILSPNTQ DVLIFKLYQR AKHVYSEAAR VLQFKKICEE DATA SEQUENCE APENMVQLLG ELMNQSHMSC RDMYECSCPE LDQLVDICRK FGAQGSRLTG DATA SEQUENCE AGWGGCTVSM VPADKLPSFL ANVHKAYYQX XXXXXXXXKQ SLFATKPGGG DATA SEQUENCE ALVLLEA 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.575 177.584 -0.015 0.000 1.274 2 A CA 0.000 52.029 52.037 -0.012 0.000 0.836 2 A CB 0.000 18.995 19.000 -0.009 0.000 0.831 3 T N -0.625 113.921 114.554 -0.012 0.000 3.044 3 T HA 0.291 4.641 4.350 -0.001 0.000 0.260 3 T C 0.528 175.220 174.700 -0.014 0.000 1.019 3 T CA 0.773 62.865 62.100 -0.013 0.000 0.921 3 T CB -0.225 68.638 68.868 -0.007 0.000 1.053 3 T HN 0.845 nan 8.240 nan 0.000 0.533 4 E N 1.932 122.126 120.200 -0.010 0.000 2.452 4 E HA 0.150 4.499 4.350 -0.001 0.000 0.261 4 E C -0.758 175.837 176.600 -0.009 0.000 0.987 4 E CA 0.005 56.401 56.400 -0.005 0.000 0.926 4 E CB 0.482 30.183 29.700 0.001 0.000 0.934 4 E HN 0.177 nan 8.360 nan 0.000 0.452 5 S N 3.737 119.434 115.700 -0.005 0.000 2.722 5 S HA 0.433 4.902 4.470 -0.001 0.000 0.292 5 S C -2.398 172.213 174.600 0.019 0.000 1.135 5 S CA -1.300 56.896 58.200 -0.007 0.000 1.003 5 S CB 1.400 64.596 63.200 -0.008 0.000 1.067 5 S HN 0.549 nan 8.310 nan 0.000 0.546 6 P HA 0.236 nan 4.420 nan 0.000 0.271 6 P C -0.999 176.328 177.300 0.045 0.000 1.216 6 P CA -0.108 63.039 63.100 0.079 0.000 0.771 6 P CB 0.242 32.029 31.700 0.145 0.000 0.864 7 A N 3.208 126.053 122.820 0.042 0.000 2.366 7 A HA 0.414 4.733 4.320 -0.001 0.000 0.249 7 A C 0.171 177.768 177.584 0.022 0.000 1.084 7 A CA 0.369 52.420 52.037 0.024 0.000 0.794 7 A CB -0.148 18.865 19.000 0.021 0.000 1.034 7 A HN 0.473 nan 8.150 nan 0.000 0.491 8 T N 1.637 116.197 114.554 0.010 0.000 2.786 8 T HA 0.537 4.886 4.350 -0.001 0.000 0.283 8 T C -0.074 174.634 174.700 0.013 0.000 0.992 8 T CA -0.386 61.719 62.100 0.008 0.000 0.954 8 T CB 0.506 69.365 68.868 -0.014 0.000 0.934 8 T HN 0.740 nan 8.240 nan 0.000 0.440 9 R N 2.359 122.872 120.500 0.021 0.000 2.670 9 R HA 0.661 5.001 4.340 -0.001 0.000 0.289 9 R C -1.015 175.300 176.300 0.024 0.000 0.965 9 R CA -0.985 55.124 56.100 0.016 0.000 0.899 9 R CB 1.064 31.367 30.300 0.005 0.000 1.173 9 R HN 0.248 nan 8.270 nan 0.000 0.456 10 R N 2.183 122.698 120.500 0.024 0.000 2.298 10 R HA 0.275 4.614 4.340 -0.001 0.000 0.310 10 R C -0.589 175.730 176.300 0.032 0.000 1.068 10 R CA -0.306 55.814 56.100 0.034 0.000 0.957 10 R CB 1.187 31.505 30.300 0.031 0.000 1.003 10 R HN 0.521 nan 8.270 nan 0.000 0.454 11 V N 0.656 120.592 119.914 0.037 0.000 3.102 11 V HA 0.626 4.745 4.120 -0.001 0.000 0.312 11 V C -1.020 175.132 176.094 0.097 0.000 1.135 11 V CA -1.139 61.200 62.300 0.064 0.000 1.022 11 V CB 2.569 34.382 31.823 -0.017 0.000 1.056 11 V HN 0.534 nan 8.190 nan 0.000 0.436 12 Q N 1.252 121.148 119.800 0.159 0.000 2.400 12 Q HA 0.549 4.889 4.340 -0.001 0.000 0.255 12 Q C 0.701 176.740 176.000 0.065 0.000 1.008 12 Q CA -0.408 55.432 55.803 0.062 0.000 0.841 12 Q CB 1.450 30.187 28.738 -0.001 0.000 1.220 12 Q HN 0.623 nan 8.270 nan 0.000 0.474 13 V N 1.591 121.536 119.914 0.053 0.000 2.313 13 V HA -0.407 3.713 4.120 -0.001 0.000 0.253 13 V C 2.033 178.111 176.094 -0.027 0.000 1.070 13 V CA 2.534 64.847 62.300 0.021 0.000 1.057 13 V CB -0.849 30.962 31.823 -0.021 0.000 0.653 13 V HN 0.955 nan 8.190 nan 0.000 0.450 14 A N 0.034 122.819 122.820 -0.059 0.000 1.948 14 A HA -0.288 4.031 4.320 -0.001 0.000 0.220 14 A C 2.051 179.528 177.584 -0.178 0.000 1.177 14 A CA 2.142 54.128 52.037 -0.086 0.000 0.636 14 A CB -0.500 18.461 19.000 -0.064 0.000 0.815 14 A HN 0.734 nan 8.150 nan 0.000 0.449 15 E N -0.648 119.333 120.200 -0.365 0.000 2.481 15 E HA -0.018 4.332 4.350 -0.001 0.000 0.195 15 E C -0.364 175.736 176.600 -0.833 0.000 1.047 15 E CA 0.362 56.391 56.400 -0.617 0.000 0.867 15 E CB 0.018 29.297 29.700 -0.701 0.000 0.858 15 E HN 0.704 nan 8.360 nan 0.000 0.513 16 H N 0.248 119.288 119.070 -0.051 0.000 2.786 16 H HA 0.132 4.688 4.556 -0.000 0.000 0.284 16 H C -1.925 173.372 175.328 -0.053 0.000 1.104 16 H CA -2.503 53.511 56.048 -0.057 0.000 1.339 16 H CB 1.120 30.833 29.762 -0.083 0.000 1.427 16 H HN -0.044 nan 8.280 nan 0.000 0.497 17 P HA -0.235 nan 4.420 nan 0.000 0.218 17 P C 1.704 179.020 177.300 0.027 0.000 1.152 17 P CA 1.338 64.447 63.100 0.014 0.000 0.857 17 P CB 0.554 32.257 31.700 0.006 0.000 0.787 18 R N -0.774 119.749 120.500 0.038 0.000 2.075 18 R HA 0.006 4.346 4.340 -0.001 0.000 0.232 18 R C 2.486 178.796 176.300 0.017 0.000 1.126 18 R CA 1.074 57.188 56.100 0.024 0.000 0.963 18 R CB -0.733 29.573 30.300 0.011 0.000 0.858 18 R HN 0.188 nan 8.270 nan 0.000 0.435 19 L N 0.081 121.294 121.223 -0.017 0.000 2.156 19 L HA -0.138 4.202 4.340 -0.001 0.000 0.208 19 L C 2.161 179.010 176.870 -0.035 0.000 1.095 19 L CA 0.383 55.151 54.840 -0.119 0.000 0.770 19 L CB -0.274 41.611 42.059 -0.291 0.000 0.914 19 L HN 0.198 nan 8.230 nan 0.000 0.439 20 L N 0.437 121.662 121.223 0.003 0.000 2.017 20 L HA -0.237 4.103 4.340 -0.001 0.000 0.208 20 L C 2.626 179.533 176.870 0.061 0.000 1.073 20 L CA 1.810 56.666 54.840 0.028 0.000 0.745 20 L CB -0.425 41.643 42.059 0.015 0.000 0.894 20 L HN 0.104 nan 8.230 nan 0.000 0.432 21 K N -0.911 119.521 120.400 0.054 0.000 2.032 21 K HA -0.217 4.103 4.320 -0.001 0.000 0.209 21 K C 2.005 178.670 176.600 0.109 0.000 1.048 21 K CA 1.586 57.912 56.287 0.066 0.000 0.927 21 K CB -0.614 31.915 32.500 0.048 0.000 0.712 21 K HN 0.136 nan 8.250 nan 0.000 0.441 22 L N 1.680 122.983 121.223 0.134 0.000 2.012 22 L HA -0.174 4.166 4.340 -0.001 0.000 0.210 22 L C 2.243 179.287 176.870 0.290 0.000 1.073 22 L CA 1.939 56.911 54.840 0.221 0.000 0.748 22 L CB -0.845 41.372 42.059 0.264 0.000 0.891 22 L HN 0.287 nan 8.230 nan 0.000 0.431 23 K N -0.455 120.107 120.400 0.269 0.000 2.009 23 K HA -0.233 4.087 4.320 -0.001 0.000 0.210 23 K C 1.914 178.650 176.600 0.227 0.000 1.049 23 K CA 2.079 58.523 56.287 0.262 0.000 0.929 23 K CB -0.119 32.511 32.500 0.216 0.000 0.714 23 K HN 0.468 nan 8.250 nan 0.000 0.440 24 E N 0.121 120.420 120.200 0.164 0.000 2.072 24 E HA -0.165 4.185 4.350 -0.001 0.000 0.191 24 E C 2.166 178.846 176.600 0.132 0.000 0.985 24 E CA 1.405 57.883 56.400 0.130 0.000 0.801 24 E CB -0.070 29.680 29.700 0.084 0.000 0.750 24 E HN 0.373 nan 8.360 nan 0.000 0.452 25 M N -0.084 119.597 119.600 0.135 0.000 2.229 25 M HA -0.115 4.365 4.480 -0.001 0.000 0.264 25 M C 2.152 178.521 176.300 0.115 0.000 1.063 25 M CA 1.158 56.515 55.300 0.095 0.000 1.114 25 M CB -0.247 32.404 32.600 0.084 0.000 1.387 25 M HN 0.126 nan 8.290 nan 0.000 0.420 26 F N 1.308 121.308 119.950 0.083 0.000 2.146 26 F HA -0.214 4.313 4.527 -0.001 0.000 0.298 26 F C 2.233 178.115 175.800 0.137 0.000 1.096 26 F CA 1.637 59.729 58.000 0.153 0.000 1.275 26 F CB -0.303 38.811 39.000 0.190 0.000 1.008 26 F HN 0.219 nan 8.300 nan 0.000 0.480 27 N N -0.589 118.351 118.700 0.400 0.000 2.120 27 N HA -0.240 4.500 4.740 -0.001 0.000 0.188 27 N C 2.088 177.647 175.510 0.082 0.000 1.024 27 N CA 1.333 54.543 53.050 0.267 0.000 0.852 27 N CB -0.263 38.345 38.487 0.202 0.000 1.003 27 N HN 0.354 nan 8.380 nan 0.000 0.424 28 S N 0.338 116.056 115.700 0.030 0.000 2.402 28 S HA -0.105 4.365 4.470 -0.001 0.000 0.229 28 S C 1.844 176.351 174.600 -0.155 0.000 1.021 28 S CA 1.181 59.356 58.200 -0.042 0.000 0.974 28 S CB -0.089 63.091 63.200 -0.034 0.000 0.800 28 S HN 0.240 nan 8.310 nan 0.000 0.484 29 K N -0.251 119.972 120.400 -0.295 0.000 2.098 29 K HA 0.206 4.526 4.320 -0.001 0.000 0.203 29 K C 0.903 177.005 176.600 -0.829 0.000 1.051 29 K CA 1.333 57.239 56.287 -0.636 0.000 0.957 29 K CB -0.203 31.755 32.500 -0.904 0.000 0.738 29 K HN 0.483 nan 8.250 nan 0.000 0.447 30 F N -1.635 118.132 119.950 -0.306 0.000 2.706 30 F HA 0.348 4.874 4.527 -0.000 0.000 0.308 30 F C 1.269 177.003 175.800 -0.109 0.000 1.095 30 F CA 0.112 57.942 58.000 -0.283 0.000 1.244 30 F CB 1.073 39.755 39.000 -0.529 0.000 1.063 30 F HN 0.166 nan 8.300 nan 0.000 0.582 31 G N 0.481 109.322 108.800 0.068 0.000 2.179 31 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.260 31 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.260 31 G C 0.284 175.267 174.900 0.139 0.000 0.977 31 G CA 0.358 45.510 45.100 0.086 0.000 0.641 31 G HN 0.521 nan 8.290 nan 0.000 0.533 32 S N -0.834 115.007 115.700 0.235 0.000 2.579 32 S HA 0.723 5.193 4.470 -0.001 0.000 0.272 32 S C 0.042 174.859 174.600 0.362 0.000 1.141 32 S CA -0.269 58.078 58.200 0.245 0.000 0.843 32 S CB 1.214 64.537 63.200 0.206 0.000 1.122 32 S HN 1.456 nan 8.310 nan 0.000 0.468 33 I N 1.150 121.837 120.570 0.194 0.000 2.720 33 I HA 0.606 4.776 4.170 -0.001 0.000 0.287 33 I C -2.486 173.531 176.117 -0.166 0.000 1.090 33 I CA -2.026 59.335 61.300 0.102 0.000 1.384 33 I CB 0.226 38.264 38.000 0.064 0.000 1.420 33 I HN 0.327 nan 8.210 nan 0.000 0.575 34 P HA 0.086 nan 4.420 nan 0.000 0.272 34 P C -0.244 176.743 177.300 -0.521 0.000 1.223 34 P CA -0.390 62.080 63.100 -1.050 0.000 0.784 34 P CB 0.775 31.602 31.700 -1.455 0.000 0.923 35 K N 1.129 121.257 120.400 -0.453 0.000 2.211 35 K HA 0.048 4.368 4.320 -0.001 0.000 0.201 35 K C 0.266 176.867 176.600 0.002 0.000 1.052 35 K CA 0.990 57.200 56.287 -0.128 0.000 0.973 35 K CB 0.106 32.617 32.500 0.017 0.000 0.766 35 K HN 0.612 nan 8.250 nan 0.000 0.466 36 F N -2.708 117.028 119.950 -0.357 0.000 2.817 36 F HA 0.439 4.966 4.527 -0.001 0.000 0.317 36 F C -1.631 173.885 175.800 -0.474 0.000 1.168 36 F CA -1.634 56.229 58.000 -0.229 0.000 0.911 36 F CB 0.596 39.561 39.000 -0.058 0.000 1.337 36 F HN -0.278 nan 8.300 nan 0.000 0.464 37 Y N 0.159 120.573 120.300 0.190 0.000 2.576 37 Y HA 0.809 5.358 4.550 -0.001 0.000 0.346 37 Y C -0.843 175.188 175.900 0.217 0.000 1.018 37 Y CA -1.520 56.631 58.100 0.085 0.000 1.050 37 Y CB 2.239 40.721 38.460 0.036 0.000 1.280 37 Y HN 0.593 nan 8.280 nan 0.000 0.474 38 V N 1.766 121.871 119.914 0.317 0.000 2.841 38 V HA 0.705 4.824 4.120 -0.001 0.000 0.310 38 V C -1.113 175.079 176.094 0.162 0.000 1.090 38 V CA -1.080 61.367 62.300 0.246 0.000 0.930 38 V CB 2.150 34.129 31.823 0.260 0.000 1.014 38 V HN 0.782 nan 8.190 nan 0.000 0.425 39 R N 2.585 123.144 120.500 0.100 0.000 2.686 39 R HA 0.951 5.290 4.340 -0.001 0.000 0.286 39 R C -0.912 175.379 176.300 -0.014 0.000 0.969 39 R CA -0.522 55.602 56.100 0.039 0.000 0.898 39 R CB 2.072 32.377 30.300 0.008 0.000 1.183 39 R HN 0.940 nan 8.270 nan 0.000 0.456 40 A N 3.702 126.490 122.820 -0.054 0.000 2.375 40 A HA 0.656 4.976 4.320 -0.001 0.000 0.295 40 A C -2.734 174.777 177.584 -0.120 0.000 1.066 40 A CA -1.838 50.110 52.037 -0.147 0.000 0.722 40 A CB 1.407 20.267 19.000 -0.233 0.000 1.206 40 A HN 0.705 nan 8.150 nan 0.000 0.435 41 P HA 0.434 nan 4.420 nan 0.000 0.278 41 P C 0.515 177.763 177.300 -0.086 0.000 1.258 41 P CA 0.072 63.121 63.100 -0.086 0.000 0.811 41 P CB 1.357 33.015 31.700 -0.071 0.000 1.063 42 G N 0.867 109.635 108.800 -0.053 0.000 2.510 42 G HA2 0.646 4.606 3.960 -0.001 0.000 0.280 42 G HA3 0.646 4.606 3.960 -0.001 0.000 0.280 42 G C -0.468 174.415 174.900 -0.027 0.000 1.386 42 G CA -0.610 44.467 45.100 -0.038 0.000 1.047 42 G HN 0.780 nan 8.290 nan 0.000 0.527 43 R N -2.992 117.501 120.500 -0.013 0.000 2.712 43 R HA 0.604 4.944 4.340 -0.001 0.000 0.272 43 R C -2.034 174.258 176.300 -0.013 0.000 1.032 43 R CA -0.885 55.204 56.100 -0.019 0.000 0.874 43 R CB 1.438 31.717 30.300 -0.034 0.000 1.256 43 R HN 0.785 nan 8.270 nan 0.000 0.468 44 V N 1.788 121.679 119.914 -0.038 0.000 2.495 44 V HA 0.529 4.649 4.120 -0.001 0.000 0.298 44 V C -1.141 174.891 176.094 -0.103 0.000 1.031 44 V CA -0.805 61.462 62.300 -0.055 0.000 0.871 44 V CB 1.749 33.538 31.823 -0.057 0.000 0.988 44 V HN 0.835 nan 8.190 nan 0.000 0.432 45 N N 6.601 125.247 118.700 -0.090 0.000 2.408 45 N HA 0.282 5.021 4.740 -0.001 0.000 0.257 45 N C 0.869 176.280 175.510 -0.166 0.000 1.064 45 N CA -0.474 52.505 53.050 -0.118 0.000 0.952 45 N CB 0.978 39.416 38.487 -0.082 0.000 1.093 45 N HN 0.597 nan 8.380 nan 0.000 0.490 46 I N 2.796 123.205 120.570 -0.267 0.000 2.202 46 I HA 0.033 4.203 4.170 -0.001 0.000 0.242 46 I C 1.071 177.012 176.117 -0.293 0.000 1.091 46 I CA 1.154 62.247 61.300 -0.346 0.000 1.368 46 I CB -0.682 36.969 38.000 -0.581 0.000 1.058 46 I HN 0.573 nan 8.210 nan 0.000 0.410 47 I N -1.593 118.786 120.570 -0.319 0.000 2.800 47 I HA 0.456 4.625 4.170 -0.001 0.000 0.294 47 I C -0.750 175.259 176.117 -0.180 0.000 1.538 47 I CA -0.118 61.042 61.300 -0.233 0.000 1.010 47 I CB 2.173 39.984 38.000 -0.314 0.000 1.381 47 I HN 0.230 nan 8.210 nan 0.000 0.462 48 G N 4.389 113.118 108.800 -0.119 0.000 2.798 48 G HA2 -0.104 3.856 3.960 -0.001 0.000 0.167 48 G HA3 -0.104 3.856 3.960 -0.001 0.000 0.167 48 G C -0.887 173.956 174.900 -0.096 0.000 1.082 48 G CA -0.510 44.524 45.100 -0.109 0.000 0.905 48 G HN 0.671 nan 8.290 nan 0.000 0.514 49 E N 0.597 120.756 120.200 -0.068 0.000 2.283 49 E HA 0.615 4.964 4.350 -0.001 0.000 0.278 49 E C 1.197 177.762 176.600 -0.058 0.000 1.027 49 E CA -0.226 56.134 56.400 -0.067 0.000 0.843 49 E CB 0.268 29.959 29.700 -0.015 0.000 1.062 49 E HN 0.398 nan 8.360 nan 0.000 0.401 50 H N 2.212 121.166 119.070 -0.193 0.000 2.862 50 H HA -0.192 4.363 4.556 -0.001 0.000 0.290 50 H C 0.679 175.603 175.328 -0.673 0.000 1.211 50 H CA 1.291 57.102 56.048 -0.394 0.000 1.140 50 H CB -1.412 27.990 29.762 -0.599 0.000 1.341 50 H HN 0.621 nan 8.280 nan 0.000 0.392 51 I N -2.836 117.465 120.570 -0.449 0.000 4.456 51 I HA 0.052 4.222 4.170 -0.001 0.000 0.329 51 I C 1.896 177.830 176.117 -0.305 0.000 1.313 51 I CA 0.394 61.481 61.300 -0.355 0.000 1.205 51 I CB 0.341 38.248 38.000 -0.156 0.000 1.179 51 I HN -0.102 nan 8.210 nan 0.000 0.419 52 D N 2.857 123.071 120.400 -0.311 0.000 2.104 52 D HA -0.321 4.319 4.640 -0.001 0.000 0.194 52 D C 2.055 178.100 176.300 -0.425 0.000 0.994 52 D CA 2.184 55.993 54.000 -0.318 0.000 0.830 52 D CB -1.304 39.318 40.800 -0.296 0.000 0.959 52 D HN 0.711 nan 8.370 nan 0.000 0.452 53 Y N -0.233 119.982 120.300 -0.141 0.000 2.574 53 Y HA 0.144 4.694 4.550 -0.001 0.000 0.294 53 Y C 1.930 177.783 175.900 -0.079 0.000 1.142 53 Y CA -0.396 57.641 58.100 -0.105 0.000 1.314 53 Y CB -1.159 37.308 38.460 0.012 0.000 0.991 53 Y HN 0.029 nan 8.280 nan 0.000 0.555 54 C N 0.818 120.013 119.300 -0.175 0.000 2.697 54 C HA 0.533 4.992 4.460 -0.001 0.000 0.267 54 C C 2.125 177.017 174.990 -0.163 0.000 1.278 54 C CA 0.479 59.454 59.018 -0.071 0.000 1.708 54 C CB -0.832 26.879 27.740 -0.049 0.000 1.860 54 C HN 0.970 nan 8.230 nan 0.000 0.589 55 G N -0.713 107.980 108.800 -0.178 0.000 2.157 55 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.239 55 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.239 55 G C -0.215 174.616 174.900 -0.115 0.000 0.982 55 G CA -0.190 44.804 45.100 -0.176 0.000 0.650 55 G HN 0.479 nan 8.290 nan 0.000 0.527 56 Y N 1.414 121.757 120.300 0.071 0.000 2.403 56 Y HA 0.628 5.178 4.550 -0.001 0.000 0.323 56 Y C 1.244 177.278 175.900 0.223 0.000 1.226 56 Y CA -0.258 57.907 58.100 0.109 0.000 1.235 56 Y CB 1.416 39.877 38.460 0.001 0.000 1.248 56 Y HN 0.128 nan 8.280 nan 0.000 0.489 57 S N 1.613 117.500 115.700 0.312 0.000 2.562 57 S HA 0.440 4.910 4.470 -0.001 0.000 0.281 57 S C -0.294 174.363 174.600 0.096 0.000 1.333 57 S CA -0.699 57.573 58.200 0.121 0.000 1.052 57 S CB 0.282 63.493 63.200 0.018 0.000 0.884 57 S HN 0.518 nan 8.310 nan 0.000 0.506 58 V N 1.062 121.001 119.914 0.041 0.000 3.126 58 V HA 0.710 4.830 4.120 -0.001 0.000 0.314 58 V C -0.701 175.350 176.094 -0.073 0.000 1.138 58 V CA -1.021 61.281 62.300 0.004 0.000 1.034 58 V CB 1.838 33.710 31.823 0.082 0.000 1.075 58 V HN 0.762 nan 8.190 nan 0.000 0.442 59 L N 3.241 124.390 121.223 -0.123 0.000 2.529 59 L HA 0.550 4.889 4.340 -0.001 0.000 0.246 59 L C -2.622 174.122 176.870 -0.209 0.000 1.394 59 L CA -1.357 53.375 54.840 -0.180 0.000 0.906 59 L CB 2.001 43.899 42.059 -0.269 0.000 1.170 59 L HN 0.657 nan 8.230 nan 0.000 0.501 60 P HA 0.497 nan 4.420 nan 0.000 0.286 60 P C -1.387 175.827 177.300 -0.143 0.000 1.292 60 P CA -0.828 62.186 63.100 -0.143 0.000 0.842 60 P CB 2.108 33.762 31.700 -0.077 0.000 1.207 61 M N -1.485 118.032 119.600 -0.139 0.000 2.470 61 M HA 0.775 5.255 4.480 -0.001 0.000 0.285 61 M C -1.272 174.981 176.300 -0.077 0.000 1.213 61 M CA -1.121 54.110 55.300 -0.114 0.000 0.901 61 M CB 2.282 34.792 32.600 -0.150 0.000 1.718 61 M HN 0.222 nan 8.290 nan 0.000 0.469 62 A N 2.170 124.958 122.820 -0.054 0.000 2.371 62 A HA 0.637 4.957 4.320 -0.001 0.000 0.257 62 A C 0.220 177.792 177.584 -0.020 0.000 1.089 62 A CA -0.390 51.624 52.037 -0.040 0.000 0.794 62 A CB 0.266 19.241 19.000 -0.041 0.000 1.029 62 A HN 1.156 nan 8.150 nan 0.000 0.488 63 V N 0.046 119.960 119.914 -0.000 0.000 3.211 63 V HA 0.464 4.584 4.120 -0.001 0.000 0.319 63 V C 1.101 177.204 176.094 0.015 0.000 1.096 63 V CA 0.172 62.496 62.300 0.040 0.000 1.029 63 V CB 1.129 33.017 31.823 0.109 0.000 1.137 63 V HN 1.050 nan 8.190 nan 0.000 0.453 64 E N -0.472 119.741 120.200 0.021 0.000 2.152 64 E HA -0.077 4.273 4.350 -0.001 0.000 0.192 64 E C 0.634 177.208 176.600 -0.045 0.000 0.983 64 E CA 0.413 56.803 56.400 -0.018 0.000 0.818 64 E CB 0.110 29.796 29.700 -0.024 0.000 0.758 64 E HN 0.842 nan 8.360 nan 0.000 0.467 65 Q N 1.598 121.364 119.800 -0.056 0.000 2.361 65 Q HA 0.124 4.464 4.340 -0.001 0.000 0.276 65 Q C -0.706 175.266 176.000 -0.047 0.000 1.022 65 Q CA 0.824 56.584 55.803 -0.071 0.000 0.898 65 Q CB 1.002 29.685 28.738 -0.092 0.000 1.246 65 Q HN 0.281 nan 8.270 nan 0.000 0.410 66 D N -1.496 118.876 120.400 -0.046 0.000 2.768 66 D HA 0.459 5.098 4.640 -0.001 0.000 0.327 66 D C -1.381 174.901 176.300 -0.029 0.000 1.302 66 D CA -0.787 53.188 54.000 -0.042 0.000 0.897 66 D CB 0.599 41.374 40.800 -0.043 0.000 1.420 66 D HN 0.223 nan 8.370 nan 0.000 0.494 67 V N 0.400 120.301 119.914 -0.021 0.000 2.384 67 V HA 0.526 4.645 4.120 -0.001 0.000 0.287 67 V C -0.908 175.209 176.094 0.039 0.000 1.020 67 V CA -0.698 61.607 62.300 0.008 0.000 0.850 67 V CB 1.013 32.846 31.823 0.015 0.000 0.987 67 V HN 0.547 nan 8.190 nan 0.000 0.436 68 L N 7.441 128.702 121.223 0.064 0.000 2.322 68 L HA 0.698 5.037 4.340 -0.001 0.000 0.281 68 L C -0.671 176.294 176.870 0.160 0.000 1.014 68 L CA 0.056 54.956 54.840 0.101 0.000 0.815 68 L CB 1.400 43.504 42.059 0.075 0.000 1.247 68 L HN 0.539 nan 8.230 nan 0.000 0.421 69 I N 4.936 125.623 120.570 0.195 0.000 2.447 69 I HA 0.583 4.753 4.170 -0.001 0.000 0.287 69 I C -0.138 176.057 176.117 0.131 0.000 1.023 69 I CA -0.800 60.623 61.300 0.206 0.000 1.083 69 I CB 1.938 40.088 38.000 0.250 0.000 1.245 69 I HN 0.765 nan 8.210 nan 0.000 0.434 70 A N 6.702 129.572 122.820 0.085 0.000 2.328 70 A HA 0.771 5.091 4.320 -0.001 0.000 0.284 70 A C -0.420 176.924 177.584 -0.400 0.000 1.160 70 A CA -0.299 51.538 52.037 -0.333 0.000 0.818 70 A CB 0.676 19.558 19.000 -0.196 0.000 1.087 70 A HN 0.482 nan 8.150 nan 0.000 0.504 71 V N 1.919 121.333 119.914 -0.833 0.000 2.962 71 V HA 0.642 4.762 4.120 -0.001 0.000 0.313 71 V C -0.289 175.333 176.094 -0.788 0.000 1.099 71 V CA -0.632 61.233 62.300 -0.725 0.000 0.971 71 V CB 1.977 33.120 31.823 -1.134 0.000 1.028 71 V HN 0.991 nan 8.190 nan 0.000 0.430 72 E N 3.856 123.834 120.200 -0.371 0.000 2.302 72 E HA 0.458 4.808 4.350 -0.001 0.000 0.263 72 E C -2.994 173.552 176.600 -0.090 0.000 0.897 72 E CA -1.817 54.471 56.400 -0.187 0.000 0.809 72 E CB 2.988 32.706 29.700 0.030 0.000 1.270 72 E HN 0.398 nan 8.360 nan 0.000 0.410 73 P HA 0.075 nan 4.420 nan 0.000 0.271 73 P C -0.844 176.470 177.300 0.023 0.000 1.218 73 P CA -0.261 62.860 63.100 0.035 0.000 0.780 73 P CB 0.959 32.719 31.700 0.099 0.000 0.901 74 V N -0.155 119.778 119.914 0.032 0.000 3.078 74 V HA 0.527 4.646 4.120 -0.001 0.000 0.311 74 V C 0.736 176.871 176.094 0.069 0.000 1.138 74 V CA -0.754 61.565 62.300 0.031 0.000 1.007 74 V CB 2.438 34.262 31.823 0.001 0.000 1.045 74 V HN 0.071 nan 8.190 nan 0.000 0.432 75 K N 0.970 121.402 120.400 0.053 0.000 2.167 75 K HA 0.120 4.440 4.320 -0.001 0.000 0.203 75 K C 1.223 177.849 176.600 0.044 0.000 1.052 75 K CA 1.353 57.672 56.287 0.052 0.000 0.956 75 K CB -0.720 31.785 32.500 0.008 0.000 0.735 75 K HN 1.069 nan 8.250 nan 0.000 0.451 76 T N -1.028 113.550 114.554 0.040 0.000 2.701 76 T HA 0.035 4.385 4.350 -0.001 0.000 0.303 76 T C 0.381 175.240 174.700 0.265 0.000 1.030 76 T CA -0.200 61.916 62.100 0.026 0.000 1.010 76 T CB 0.363 69.245 68.868 0.023 0.000 1.007 76 T HN -0.004 nan 8.240 nan 0.000 0.532 77 Y N 0.557 120.846 120.300 -0.018 0.000 2.813 77 Y HA 0.621 5.170 4.550 -0.000 0.000 0.378 77 Y C 0.587 176.472 175.900 -0.025 0.000 1.023 77 Y CA -1.754 56.339 58.100 -0.013 0.000 1.567 77 Y CB -0.855 37.600 38.460 -0.009 0.000 1.492 77 Y HN 0.917 nan 8.280 nan 0.000 0.533 78 A N 1.041 123.941 122.820 0.133 0.000 2.365 78 A HA 0.724 5.044 4.320 -0.001 0.000 0.318 78 A C -1.576 176.000 177.584 -0.014 0.000 1.091 78 A CA -0.720 51.333 52.037 0.027 0.000 0.763 78 A CB 1.457 20.453 19.000 -0.006 0.000 1.248 78 A HN 0.300 nan 8.150 nan 0.000 0.442 79 L N 1.436 122.624 121.223 -0.059 0.000 2.305 79 L HA 0.521 4.860 4.340 -0.001 0.000 0.284 79 L C -0.498 176.282 176.870 -0.150 0.000 1.013 79 L CA 0.172 54.962 54.840 -0.083 0.000 0.819 79 L CB 1.384 43.419 42.059 -0.039 0.000 1.227 79 L HN 0.731 nan 8.230 nan 0.000 0.417 80 Q N 5.890 125.602 119.800 -0.146 0.000 2.333 80 Q HA 0.545 4.885 4.340 -0.001 0.000 0.268 80 Q C -1.334 174.628 176.000 -0.064 0.000 1.007 80 Q CA -0.515 55.233 55.803 -0.093 0.000 0.810 80 Q CB 2.582 31.328 28.738 0.013 0.000 1.264 80 Q HN 0.643 nan 8.270 nan 0.000 0.452 81 L N 1.765 122.981 121.223 -0.011 0.000 2.346 81 L HA 0.886 5.226 4.340 -0.001 0.000 0.276 81 L C -0.763 176.277 176.870 0.283 0.000 1.006 81 L CA -0.574 54.294 54.840 0.048 0.000 0.817 81 L CB 1.738 43.734 42.059 -0.106 0.000 1.272 81 L HN 0.728 nan 8.230 nan 0.000 0.421 82 A N 3.258 126.300 122.820 0.370 0.000 2.532 82 A HA 0.691 5.011 4.320 -0.001 0.000 0.290 82 A C -1.522 176.247 177.584 0.309 0.000 1.143 82 A CA -0.672 51.564 52.037 0.332 0.000 0.728 82 A CB 2.094 21.174 19.000 0.133 0.000 1.317 82 A HN 0.624 nan 8.150 nan 0.000 0.414 83 N N -0.742 118.041 118.700 0.139 0.000 2.229 83 N HA 0.316 5.056 4.740 -0.001 0.000 0.298 83 N C 0.778 176.288 175.510 0.001 0.000 1.114 83 N CA 0.412 53.443 53.050 -0.033 0.000 0.776 83 N CB 2.244 40.519 38.487 -0.353 0.000 1.501 83 N HN 0.721 nan 8.380 nan 0.000 0.474 84 T N -1.212 113.349 114.554 0.011 0.000 3.035 84 T HA -0.025 4.325 4.350 -0.001 0.000 0.268 84 T C 0.632 175.333 174.700 0.001 0.000 1.109 84 T CA 0.612 62.724 62.100 0.020 0.000 1.119 84 T CB -0.120 68.771 68.868 0.037 0.000 0.900 84 T HN 0.352 nan 8.240 nan 0.000 0.503 85 N N 2.363 121.064 118.700 0.001 0.000 2.457 85 N HA 0.301 5.040 4.740 -0.001 0.000 0.250 85 N C -2.048 173.416 175.510 -0.078 0.000 0.982 85 N CA -2.681 50.358 53.050 -0.019 0.000 0.941 85 N CB 2.043 40.558 38.487 0.048 0.000 1.120 85 N HN -0.049 nan 8.380 nan 0.000 0.505 86 P HA -0.148 nan 4.420 nan 0.000 0.223 86 P C 1.469 178.677 177.300 -0.153 0.000 1.144 86 P CA 0.404 63.453 63.100 -0.085 0.000 0.783 86 P CB 0.397 32.060 31.700 -0.062 0.000 0.771 87 L N -1.225 119.816 121.223 -0.303 0.000 2.261 87 L HA -0.059 4.281 4.340 -0.001 0.000 0.216 87 L C 0.448 176.973 176.870 -0.575 0.000 1.114 87 L CA 1.273 55.820 54.840 -0.488 0.000 0.777 87 L CB -1.221 40.369 42.059 -0.781 0.000 0.910 87 L HN -0.095 nan 8.230 nan 0.000 0.440 88 Y N 0.860 121.027 120.300 -0.222 0.000 2.587 88 Y HA 0.443 4.992 4.550 -0.000 0.000 0.328 88 Y C -2.039 173.827 175.900 -0.057 0.000 0.980 88 Y CA -3.057 54.787 58.100 -0.426 0.000 1.272 88 Y CB 0.105 37.781 38.460 -1.307 0.000 1.094 88 Y HN 0.044 nan 8.280 nan 0.000 0.503 89 P HA -0.020 nan 4.420 nan 0.000 0.269 89 P C -0.373 177.285 177.300 0.596 0.000 1.209 89 P CA -0.086 63.258 63.100 0.408 0.000 0.776 89 P CB 0.858 32.761 31.700 0.337 0.000 0.876 90 D N 1.030 121.649 120.400 0.364 0.000 2.419 90 D HA 0.229 4.868 4.640 -0.001 0.000 0.236 90 D C -0.355 176.142 176.300 0.329 0.000 1.165 90 D CA 0.829 55.026 54.000 0.329 0.000 0.882 90 D CB -0.104 40.783 40.800 0.146 0.000 1.201 90 D HN 0.245 nan 8.370 nan 0.000 0.443 91 F N -0.268 119.694 119.950 0.021 0.000 2.641 91 F HA 0.453 4.980 4.527 -0.001 0.000 0.308 91 F C -1.335 174.357 175.800 -0.179 0.000 1.105 91 F CA -0.409 57.480 58.000 -0.184 0.000 0.964 91 F CB 1.558 40.237 39.000 -0.534 0.000 1.294 91 F HN 0.166 nan 8.300 nan 0.000 0.442 92 S N 2.483 117.419 115.700 -1.274 0.000 2.549 92 S HA 0.779 5.249 4.470 -0.001 0.000 0.280 92 S C -1.123 172.795 174.600 -1.137 0.000 1.109 92 S CA -0.720 56.948 58.200 -0.886 0.000 0.905 92 S CB 2.067 65.004 63.200 -0.439 0.000 1.081 92 S HN 0.849 nan 8.310 nan 0.000 0.477 93 T N -0.091 114.089 114.554 -0.623 0.000 2.853 93 T HA 0.589 4.939 4.350 -0.001 0.000 0.311 93 T C -0.540 174.070 174.700 -0.150 0.000 1.307 93 T CA -0.322 61.565 62.100 -0.355 0.000 1.019 93 T CB 1.719 70.478 68.868 -0.181 0.000 1.264 93 T HN 0.357 nan 8.240 nan 0.000 0.497 94 S N 1.063 116.716 115.700 -0.078 0.000 2.847 94 S HA 0.503 4.973 4.470 -0.001 0.000 0.254 94 S C 0.485 175.092 174.600 0.012 0.000 1.039 94 S CA 0.117 58.309 58.200 -0.014 0.000 1.113 94 S CB 0.178 63.372 63.200 -0.009 0.000 1.092 94 S HN 1.050 nan 8.310 nan 0.000 0.620 95 A N 1.730 124.552 122.820 0.003 0.000 2.565 95 A HA 0.185 4.505 4.320 -0.001 0.000 0.237 95 A C 1.101 178.693 177.584 0.013 0.000 1.053 95 A CA 0.164 52.209 52.037 0.014 0.000 0.755 95 A CB 0.048 19.061 19.000 0.023 0.000 0.980 95 A HN 0.369 nan 8.150 nan 0.000 0.506 96 N N 1.355 120.064 118.700 0.015 0.000 2.250 96 N HA -0.051 4.689 4.740 -0.001 0.000 0.181 96 N C 0.595 176.101 175.510 -0.005 0.000 1.017 96 N CA 0.635 53.690 53.050 0.010 0.000 0.866 96 N CB -0.262 38.239 38.487 0.023 0.000 0.985 96 N HN 0.733 nan 8.380 nan 0.000 0.429 101 D N 4.490 124.850 120.400 -0.066 0.000 2.160 101 D HA -0.262 4.378 4.640 -0.001 0.000 0.189 101 D C 1.063 177.336 176.300 -0.044 0.000 1.003 101 D CA 1.561 55.532 54.000 -0.048 0.000 0.846 101 D CB -0.095 40.673 40.800 -0.052 0.000 0.949 101 D HN 0.702 nan 8.370 nan 0.000 0.446 102 K N 0.702 121.062 120.400 -0.067 0.000 4.075 102 K HA -0.250 4.070 4.320 -0.001 0.000 0.278 102 K C -0.445 176.135 176.600 -0.034 0.000 0.862 102 K CA 1.162 57.417 56.287 -0.054 0.000 0.762 102 K CB -1.185 31.297 32.500 -0.031 0.000 1.660 102 K HN 0.449 nan 8.250 nan 0.000 0.437 103 T N -0.910 113.621 114.554 -0.038 0.000 3.151 103 T HA 0.082 4.432 4.350 -0.001 0.000 0.257 103 T C -0.366 174.317 174.700 -0.027 0.000 0.872 103 T CA -0.023 62.062 62.100 -0.025 0.000 0.873 103 T CB 0.192 69.050 68.868 -0.017 0.000 1.272 103 T HN 0.483 nan 8.240 nan 0.000 0.543 104 K N 1.409 121.782 120.400 -0.044 0.000 2.587 104 K HA 0.415 4.735 4.320 -0.001 0.000 0.256 104 K C -3.534 173.016 176.600 -0.083 0.000 0.974 104 K CA -1.734 54.527 56.287 -0.044 0.000 0.855 104 K CB 1.820 34.301 32.500 -0.032 0.000 1.292 104 K HN -0.202 nan 8.250 nan 0.000 0.444 105 P HA 0.157 nan 4.420 nan 0.000 0.230 105 P C -0.402 176.841 177.300 -0.094 0.000 1.791 105 P CA -0.270 62.757 63.100 -0.121 0.000 1.020 105 P CB -0.051 31.623 31.700 -0.042 0.000 1.977 106 L N 1.611 122.704 121.223 -0.217 0.000 2.456 106 L HA 0.081 4.420 4.340 -0.001 0.000 0.272 106 L C 2.229 178.936 176.870 -0.272 0.000 1.189 106 L CA -0.645 54.039 54.840 -0.260 0.000 0.846 106 L CB 0.193 41.882 42.059 -0.616 0.000 1.111 106 L HN 0.352 nan 8.230 nan 0.000 0.475 107 W N 3.913 125.164 121.300 -0.081 0.000 2.321 107 W HA -0.252 4.408 4.660 -0.001 0.000 0.306 107 W C 1.916 178.436 176.519 0.001 0.000 1.217 107 W CA 1.856 59.242 57.345 0.070 0.000 1.257 107 W CB -1.067 28.433 29.460 0.068 0.000 1.145 107 W HN 0.866 nan 8.180 nan 0.000 0.509 108 H N 0.530 118.860 119.070 -1.233 0.000 2.518 108 H HA -0.045 4.511 4.556 -0.001 0.000 0.289 108 H C 1.232 176.246 175.328 -0.523 0.000 1.051 108 H CA 1.390 56.703 56.048 -1.225 0.000 1.280 108 H CB -1.337 27.572 29.762 -1.422 0.000 1.380 108 H HN 0.347 nan 8.280 nan 0.000 0.566 109 N N 0.284 118.608 118.700 -0.626 0.000 2.309 109 N HA -0.110 4.629 4.740 -0.001 0.000 0.182 109 N C 0.988 176.382 175.510 -0.194 0.000 1.018 109 N CA 0.757 53.595 53.050 -0.352 0.000 0.876 109 N CB -0.143 38.069 38.487 -0.458 0.000 0.972 109 N HN 0.284 nan 8.380 nan 0.000 0.434 110 Y N -0.209 120.053 120.300 -0.063 0.000 2.242 110 Y HA -0.134 4.416 4.550 -0.001 0.000 0.291 110 Y C 2.018 177.956 175.900 0.064 0.000 1.137 110 Y CA 0.814 58.927 58.100 0.022 0.000 1.181 110 Y CB -0.426 38.066 38.460 0.054 0.000 0.989 110 Y HN 0.062 nan 8.280 nan 0.000 0.527 111 F N 0.340 120.352 119.950 0.103 0.000 2.134 111 F HA -0.215 4.312 4.527 -0.000 0.000 0.299 111 F C 1.843 177.675 175.800 0.052 0.000 1.097 111 F CA 1.484 59.529 58.000 0.076 0.000 1.264 111 F CB -0.527 38.481 39.000 0.014 0.000 1.001 111 F HN -0.078 nan 8.300 nan 0.000 0.479 112 L N -1.031 120.357 121.223 0.275 0.000 2.131 112 L HA -0.276 4.063 4.340 -0.001 0.000 0.210 112 L C 2.621 179.523 176.870 0.054 0.000 1.092 112 L CA 1.037 55.977 54.840 0.166 0.000 0.759 112 L CB -1.116 41.000 42.059 0.094 0.000 0.903 112 L HN 0.272 nan 8.230 nan 0.000 0.435 113 C N 0.151 119.484 119.300 0.056 0.000 2.413 113 C HA -0.124 4.336 4.460 -0.001 0.000 0.276 113 C C 2.949 177.995 174.990 0.094 0.000 1.236 113 C CA 1.000 60.089 59.018 0.118 0.000 1.735 113 C CB -1.532 26.303 27.740 0.157 0.000 2.031 113 C HN 0.707 nan 8.230 nan 0.000 0.474 114 G N 0.143 108.951 108.800 0.013 0.000 2.421 114 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.216 114 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.216 114 G C 1.609 176.468 174.900 -0.068 0.000 1.171 114 G CA 0.990 46.063 45.100 -0.045 0.000 0.775 114 G HN 0.558 nan 8.290 nan 0.000 0.543 115 L N 0.378 121.522 121.223 -0.131 0.000 2.046 115 L HA 0.015 4.355 4.340 -0.001 0.000 0.208 115 L C 2.772 179.656 176.870 0.023 0.000 1.077 115 L CA 2.463 57.277 54.840 -0.044 0.000 0.747 115 L CB -0.297 41.788 42.059 0.044 0.000 0.896 115 L HN 0.278 nan 8.230 nan 0.000 0.432 116 K N -0.459 119.954 120.400 0.020 0.000 2.057 116 K HA -0.157 4.163 4.320 -0.001 0.000 0.207 116 K C 1.968 178.604 176.600 0.060 0.000 1.049 116 K CA 1.500 57.790 56.287 0.005 0.000 0.931 116 K CB -0.555 31.887 32.500 -0.097 0.000 0.714 116 K HN 0.500 nan 8.250 nan 0.000 0.440 117 G N 1.716 110.580 108.800 0.107 0.000 2.440 117 G HA2 -0.207 3.753 3.960 -0.001 0.000 0.218 117 G HA3 -0.207 3.753 3.960 -0.001 0.000 0.218 117 G C 1.452 176.392 174.900 0.066 0.000 1.154 117 G CA 0.862 46.032 45.100 0.117 0.000 0.767 117 G HN 0.211 nan 8.290 nan 0.000 0.552 118 I N 0.624 121.231 120.570 0.062 0.000 2.163 118 I HA -0.135 4.034 4.170 -0.001 0.000 0.240 118 I C 2.849 179.081 176.117 0.193 0.000 1.081 118 I CA 1.090 62.450 61.300 0.101 0.000 1.353 118 I CB -1.444 36.635 38.000 0.132 0.000 1.054 118 I HN 0.315 nan 8.210 nan 0.000 0.407 119 Q N 0.688 120.580 119.800 0.153 0.000 2.061 119 Q HA -0.235 4.105 4.340 -0.001 0.000 0.204 119 Q C 2.140 178.218 176.000 0.129 0.000 0.984 119 Q CA 1.733 57.627 55.803 0.152 0.000 0.846 119 Q CB -0.166 28.613 28.738 0.069 0.000 0.902 119 Q HN 0.554 nan 8.270 nan 0.000 0.421 120 E N -0.359 119.890 120.200 0.081 0.000 2.153 120 E HA -0.232 4.117 4.350 -0.001 0.000 0.194 120 E C 1.853 178.465 176.600 0.020 0.000 0.988 120 E CA 0.990 57.422 56.400 0.053 0.000 0.811 120 E CB -0.136 29.600 29.700 0.059 0.000 0.746 120 E HN 0.396 nan 8.360 nan 0.000 0.466 121 H N -0.310 118.690 119.070 -0.116 0.000 2.387 121 H HA -0.136 4.419 4.556 -0.001 0.000 0.299 121 H C 0.963 176.073 175.328 -0.363 0.000 1.099 121 H CA 1.435 57.301 56.048 -0.304 0.000 1.315 121 H CB -0.030 29.406 29.762 -0.543 0.000 1.380 121 H HN 0.067 nan 8.280 nan 0.000 0.513 122 F N -0.420 119.523 119.950 -0.011 0.000 2.660 122 F HA 0.275 4.802 4.527 -0.000 0.000 0.302 122 F C 1.834 177.597 175.800 -0.062 0.000 1.103 122 F CA 0.449 58.408 58.000 -0.068 0.000 1.340 122 F CB 0.113 39.117 39.000 0.006 0.000 1.048 122 F HN 0.336 nan 8.300 nan 0.000 0.551 123 G N 1.208 110.039 108.800 0.051 0.000 2.225 123 G HA2 -0.321 3.639 3.960 -0.001 0.000 0.267 123 G HA3 -0.321 3.639 3.960 -0.001 0.000 0.267 123 G C 0.188 175.119 174.900 0.051 0.000 1.024 123 G CA -0.070 45.050 45.100 0.032 0.000 0.784 123 G HN 0.334 nan 8.290 nan 0.000 0.507 124 L N 0.621 121.890 121.223 0.077 0.000 2.331 124 L HA 0.391 4.731 4.340 -0.001 0.000 0.278 124 L C 1.725 178.606 176.870 0.018 0.000 1.106 124 L CA 0.031 54.899 54.840 0.047 0.000 0.824 124 L CB 1.397 43.490 42.059 0.056 0.000 1.142 124 L HN 0.261 nan 8.230 nan 0.000 0.443 125 S N 0.776 116.478 115.700 0.004 0.000 2.468 125 S HA 0.085 4.555 4.470 -0.001 0.000 0.226 125 S C 0.783 175.368 174.600 -0.025 0.000 1.051 125 S CA -0.320 57.878 58.200 -0.003 0.000 0.943 125 S CB -0.037 63.169 63.200 0.010 0.000 0.810 125 S HN 0.609 nan 8.310 nan 0.000 0.509 126 N N 2.064 120.731 118.700 -0.055 0.000 2.508 126 N HA 0.304 5.044 4.740 -0.001 0.000 0.264 126 N C -0.709 174.646 175.510 -0.260 0.000 1.216 126 N CA -0.367 52.594 53.050 -0.148 0.000 0.943 126 N CB 0.530 38.909 38.487 -0.180 0.000 1.113 126 N HN 0.211 nan 8.380 nan 0.000 0.447 127 L N 1.520 122.563 121.223 -0.300 0.000 2.410 127 L HA 0.126 4.465 4.340 -0.001 0.000 0.273 127 L C 0.109 176.743 176.870 -0.393 0.000 1.152 127 L CA 0.202 54.900 54.840 -0.237 0.000 0.855 127 L CB 0.218 42.213 42.059 -0.106 0.000 1.129 127 L HN 0.461 nan 8.230 nan 0.000 0.463 128 T N 4.998 119.440 114.554 -0.186 0.000 2.751 128 T HA 0.337 4.686 4.350 -0.001 0.000 0.290 128 T C 0.504 175.175 174.700 -0.049 0.000 0.919 128 T CA 0.055 62.081 62.100 -0.123 0.000 1.136 128 T CB -0.045 68.820 68.868 -0.006 0.000 0.875 128 T HN 0.880 nan 8.240 nan 0.000 0.532 129 G N 4.383 113.170 108.800 -0.023 0.000 2.380 129 G HA2 0.569 4.529 3.960 -0.001 0.000 0.262 129 G HA3 0.569 4.529 3.960 -0.001 0.000 0.262 129 G C -0.264 174.660 174.900 0.041 0.000 1.243 129 G CA -0.594 44.543 45.100 0.062 0.000 0.865 129 G HN 0.847 nan 8.290 nan 0.000 0.513 130 M N 0.627 120.226 119.600 -0.001 0.000 2.853 130 M HA 0.386 4.866 4.480 -0.001 0.000 0.273 130 M C -2.160 174.045 176.300 -0.158 0.000 1.128 130 M CA -1.133 54.139 55.300 -0.048 0.000 0.814 130 M CB 1.641 34.245 32.600 0.007 0.000 1.667 130 M HN 0.263 nan 8.290 nan 0.000 0.519 131 N N 1.067 119.603 118.700 -0.274 0.000 2.372 131 N HA 0.745 5.485 4.740 -0.001 0.000 0.291 131 N C -1.736 173.543 175.510 -0.385 0.000 1.024 131 N CA -0.165 52.496 53.050 -0.648 0.000 0.873 131 N CB 2.041 39.723 38.487 -1.341 0.000 1.206 131 N HN 0.755 nan 8.380 nan 0.000 0.486 132 C N 1.955 121.088 119.300 -0.278 0.000 2.609 132 C HA 0.521 4.980 4.460 -0.001 0.000 0.313 132 C C -0.538 174.605 174.990 0.255 0.000 1.175 132 C CA -0.795 58.256 59.018 0.054 0.000 1.434 132 C CB 1.130 28.859 27.740 -0.020 0.000 2.005 132 C HN 0.609 nan 8.230 nan 0.000 0.471 133 L N 4.043 125.515 121.223 0.415 0.000 2.325 133 L HA 0.777 5.117 4.340 -0.001 0.000 0.281 133 L C -0.676 176.373 176.870 0.297 0.000 1.004 133 L CA 0.003 55.084 54.840 0.402 0.000 0.823 133 L CB 1.392 43.751 42.059 0.501 0.000 1.236 133 L HN 0.547 nan 8.230 nan 0.000 0.415 134 V N 4.364 124.427 119.914 0.248 0.000 2.427 134 V HA 0.485 4.605 4.120 -0.001 0.000 0.286 134 V C -0.508 175.640 176.094 0.090 0.000 1.034 134 V CA -0.562 61.854 62.300 0.194 0.000 0.893 134 V CB 1.458 33.431 31.823 0.250 0.000 0.982 134 V HN 0.769 nan 8.190 nan 0.000 0.452 135 D N 3.556 124.009 120.400 0.088 0.000 2.476 135 D HA 0.462 5.102 4.640 -0.001 0.000 0.251 135 D C -0.276 176.038 176.300 0.023 0.000 1.291 135 D CA -0.130 53.898 54.000 0.047 0.000 0.939 135 D CB 2.081 42.921 40.800 0.068 0.000 1.221 135 D HN 0.712 nan 8.370 nan 0.000 0.567 136 G N 2.110 110.902 108.800 -0.014 0.000 2.461 136 G HA2 0.328 4.287 3.960 -0.001 0.000 0.323 136 G HA3 0.328 4.287 3.960 -0.001 0.000 0.323 136 G C 0.344 175.233 174.900 -0.018 0.000 1.229 136 G CA -0.746 44.340 45.100 -0.023 0.000 0.941 136 G HN 0.497 nan 8.290 nan 0.000 0.477 137 N N 1.443 120.128 118.700 -0.026 0.000 2.234 137 N HA 0.115 4.854 4.740 -0.001 0.000 0.227 137 N C -0.091 175.392 175.510 -0.045 0.000 1.151 137 N CA -0.399 52.630 53.050 -0.036 0.000 0.865 137 N CB 0.241 38.697 38.487 -0.052 0.000 1.066 137 N HN 0.386 nan 8.380 nan 0.000 0.515 138 I N 1.237 121.790 120.570 -0.029 0.000 2.395 138 I HA 0.281 4.451 4.170 -0.001 0.000 0.289 138 I C -2.014 174.113 176.117 0.017 0.000 1.023 138 I CA -2.232 59.061 61.300 -0.010 0.000 1.350 138 I CB 0.907 38.900 38.000 -0.011 0.000 1.409 138 I HN -0.174 nan 8.210 nan 0.000 0.507 139 P HA 0.094 nan 4.420 nan 0.000 0.263 139 P C -2.401 174.940 177.300 0.068 0.000 1.195 139 P CA -0.819 62.325 63.100 0.073 0.000 0.762 139 P CB -0.298 31.472 31.700 0.118 0.000 0.799 140 P HA 0.028 nan 4.420 nan 0.000 0.274 140 P C -0.175 177.169 177.300 0.072 0.000 1.237 140 P CA -0.053 63.082 63.100 0.059 0.000 0.793 140 P CB 0.457 32.217 31.700 0.100 0.000 0.977 141 S N -0.086 115.646 115.700 0.053 0.000 3.549 141 S HA -0.123 4.347 4.470 -0.001 0.000 0.366 141 S C 0.637 175.296 174.600 0.098 0.000 1.012 141 S CA 1.192 59.438 58.200 0.077 0.000 1.141 141 S CB -2.122 61.137 63.200 0.098 0.000 0.910 141 S HN 0.601 nan 8.310 nan 0.000 0.471 142 S N -0.829 114.925 115.700 0.089 0.000 2.730 142 S HA 0.486 4.955 4.470 -0.001 0.000 0.244 142 S C 1.318 175.974 174.600 0.093 0.000 1.022 142 S CA 0.210 58.472 58.200 0.104 0.000 1.014 142 S CB 1.183 64.453 63.200 0.116 0.000 0.963 142 S HN 1.479 nan 8.310 nan 0.000 0.540 143 G N 1.786 110.634 108.800 0.081 0.000 2.159 143 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.256 143 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.256 143 G C 0.402 175.329 174.900 0.045 0.000 0.977 143 G CA 0.235 45.376 45.100 0.068 0.000 0.652 143 G HN 0.519 nan 8.290 nan 0.000 0.531 144 L N 0.419 121.669 121.223 0.046 0.000 2.741 144 L HA 0.323 4.663 4.340 -0.001 0.000 0.237 144 L C 1.360 178.235 176.870 0.009 0.000 1.178 144 L CA 0.445 55.309 54.840 0.039 0.000 0.973 144 L CB -0.057 42.048 42.059 0.077 0.000 1.255 144 L HN 0.326 nan 8.230 nan 0.000 0.498 145 S N -0.402 115.293 115.700 -0.008 0.000 3.698 145 S HA -0.200 4.270 4.470 -0.001 0.000 0.338 145 S C 1.599 176.161 174.600 -0.064 0.000 1.089 145 S CA 0.724 58.901 58.200 -0.037 0.000 0.991 145 S CB -1.547 61.634 63.200 -0.032 0.000 0.909 145 S HN 0.766 nan 8.310 nan 0.000 0.485 146 S N 1.362 117.020 115.700 -0.070 0.000 2.382 146 S HA -0.188 4.282 4.470 -0.001 0.000 0.228 146 S C 2.148 176.638 174.600 -0.184 0.000 1.027 146 S CA 1.364 59.503 58.200 -0.101 0.000 0.991 146 S CB -0.652 62.496 63.200 -0.086 0.000 0.823 146 S HN 1.266 nan 8.310 nan 0.000 0.469 147 S N 1.936 117.483 115.700 -0.255 0.000 2.368 147 S HA -0.090 4.380 4.470 -0.001 0.000 0.225 147 S C 2.013 176.496 174.600 -0.195 0.000 1.030 147 S CA 1.389 59.326 58.200 -0.438 0.000 0.999 147 S CB -1.122 61.797 63.200 -0.469 0.000 0.844 147 S HN 0.540 nan 8.310 nan 0.000 0.459 148 S N 2.265 117.902 115.700 -0.104 0.000 2.406 148 S HA 0.238 4.708 4.470 -0.001 0.000 0.228 148 S C 2.321 176.880 174.600 -0.068 0.000 1.020 148 S CA 0.790 58.962 58.200 -0.047 0.000 0.965 148 S CB -0.762 62.420 63.200 -0.030 0.000 0.798 148 S HN 0.783 nan 8.310 nan 0.000 0.488 149 A N 1.504 124.271 122.820 -0.089 0.000 1.933 149 A HA -0.059 4.261 4.320 -0.001 0.000 0.218 149 A C 2.100 179.647 177.584 -0.063 0.000 1.175 149 A CA 1.305 53.284 52.037 -0.097 0.000 0.628 149 A CB -0.625 18.326 19.000 -0.082 0.000 0.814 149 A HN 0.418 nan 8.150 nan 0.000 0.444 150 L N -0.205 120.993 121.223 -0.043 0.000 2.044 150 L HA -0.057 4.282 4.340 -0.001 0.000 0.205 150 L C 2.398 179.293 176.870 0.043 0.000 1.075 150 L CA 1.822 56.681 54.840 0.031 0.000 0.747 150 L CB -0.658 41.425 42.059 0.040 0.000 0.903 150 L HN 0.139 nan 8.230 nan 0.000 0.435 151 V N -0.882 119.059 119.914 0.045 0.000 2.287 151 V HA -0.378 3.742 4.120 -0.001 0.000 0.248 151 V C 2.662 178.772 176.094 0.026 0.000 1.053 151 V CA 2.028 64.362 62.300 0.056 0.000 1.027 151 V CB -0.885 30.998 31.823 0.100 0.000 0.646 151 V HN 0.638 nan 8.190 nan 0.000 0.447 152 C N -1.230 118.079 119.300 0.014 0.000 2.429 152 C HA -0.186 4.273 4.460 -0.001 0.000 0.277 152 C C 3.001 178.010 174.990 0.032 0.000 1.262 152 C CA 0.792 59.827 59.018 0.028 0.000 1.733 152 C CB -1.319 26.221 27.740 -0.333 0.000 2.010 152 C HN 0.775 nan 8.230 nan 0.000 0.483 153 C N 1.128 120.409 119.300 -0.033 0.000 2.429 153 C HA -0.043 4.417 4.460 -0.001 0.000 0.277 153 C C 3.105 178.105 174.990 0.017 0.000 1.262 153 C CA 1.397 60.427 59.018 0.020 0.000 1.733 153 C CB -1.419 26.348 27.740 0.046 0.000 2.010 153 C HN 0.629 nan 8.230 nan 0.000 0.483 154 A N 0.185 122.931 122.820 -0.123 0.000 1.902 154 A HA 0.065 4.385 4.320 -0.001 0.000 0.217 154 A C 2.427 179.834 177.584 -0.296 0.000 1.181 154 A CA 2.153 53.877 52.037 -0.521 0.000 0.623 154 A CB -1.378 17.012 19.000 -1.016 0.000 0.818 154 A HN 0.658 nan 8.150 nan 0.000 0.443 155 G N -0.264 108.484 108.800 -0.085 0.000 2.421 155 G HA2 -0.134 3.826 3.960 -0.001 0.000 0.216 155 G HA3 -0.134 3.826 3.960 -0.001 0.000 0.216 155 G C 1.469 176.423 174.900 0.089 0.000 1.171 155 G CA 1.171 46.283 45.100 0.020 0.000 0.775 155 G HN 0.462 nan 8.290 nan 0.000 0.543 156 L N 0.864 122.193 121.223 0.178 0.000 2.046 156 L HA 0.001 4.341 4.340 -0.001 0.000 0.208 156 L C 2.933 179.912 176.870 0.181 0.000 1.077 156 L CA 1.306 56.269 54.840 0.204 0.000 0.747 156 L CB -0.604 41.633 42.059 0.297 0.000 0.896 156 L HN 0.092 nan 8.230 nan 0.000 0.432 157 V N -0.615 119.410 119.914 0.185 0.000 2.255 157 V HA -0.340 3.780 4.120 -0.001 0.000 0.247 157 V C 2.486 178.727 176.094 0.245 0.000 1.051 157 V CA 2.341 64.808 62.300 0.279 0.000 1.018 157 V CB -1.041 30.918 31.823 0.227 0.000 0.641 157 V HN 0.547 nan 8.190 nan 0.000 0.445 158 T N 0.402 115.037 114.554 0.134 0.000 2.684 158 T HA -0.236 4.114 4.350 -0.001 0.000 0.267 158 T C 1.882 176.656 174.700 0.122 0.000 1.036 158 T CA 1.991 64.164 62.100 0.123 0.000 1.148 158 T CB -0.420 68.489 68.868 0.067 0.000 0.863 158 T HN 0.291 nan 8.240 nan 0.000 0.436 159 L N 1.021 122.314 121.223 0.117 0.000 2.012 159 L HA -0.121 4.219 4.340 -0.001 0.000 0.210 159 L C 2.529 179.420 176.870 0.035 0.000 1.073 159 L CA 1.903 56.803 54.840 0.100 0.000 0.748 159 L CB -1.150 40.969 42.059 0.100 0.000 0.891 159 L HN 0.213 nan 8.230 nan 0.000 0.431 160 T N -1.354 113.223 114.554 0.038 0.000 2.777 160 T HA -0.148 4.202 4.350 -0.001 0.000 0.266 160 T C 1.959 176.624 174.700 -0.059 0.000 1.040 160 T CA 1.536 63.580 62.100 -0.094 0.000 1.141 160 T CB -0.402 68.321 68.868 -0.242 0.000 0.868 160 T HN 0.199 nan 8.240 nan 0.000 0.444 161 V N 1.601 121.610 119.914 0.157 0.000 2.343 161 V HA -0.103 4.017 4.120 -0.001 0.000 0.247 161 V C 2.447 178.575 176.094 0.057 0.000 1.051 161 V CA 1.413 63.827 62.300 0.190 0.000 1.036 161 V CB -0.674 31.287 31.823 0.231 0.000 0.654 161 V HN 0.450 nan 8.190 nan 0.000 0.451 162 L N 0.273 121.506 121.223 0.016 0.000 2.275 162 L HA 0.055 4.395 4.340 -0.001 0.000 0.215 162 L C 1.865 178.674 176.870 -0.101 0.000 1.119 162 L CA 1.132 55.938 54.840 -0.055 0.000 0.790 162 L CB -0.792 41.208 42.059 -0.098 0.000 0.919 162 L HN 0.598 nan 8.230 nan 0.000 0.443 163 G N 0.466 109.209 108.800 -0.094 0.000 2.147 163 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.244 163 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.244 163 G C 0.269 175.083 174.900 -0.142 0.000 1.005 163 G CA 0.051 45.086 45.100 -0.108 0.000 0.713 163 G HN 0.361 nan 8.290 nan 0.000 0.515 164 R N -0.404 119.983 120.500 -0.188 0.000 2.691 164 R HA 0.554 4.894 4.340 -0.001 0.000 0.259 164 R C -0.086 176.170 176.300 -0.073 0.000 1.048 164 R CA -0.835 55.117 56.100 -0.248 0.000 1.086 164 R CB 0.794 30.666 30.300 -0.712 0.000 1.166 164 R HN 0.198 nan 8.270 nan 0.000 0.526 165 N N 1.179 119.885 118.700 0.009 0.000 2.361 165 N HA 0.443 5.183 4.740 -0.001 0.000 0.302 165 N C -1.426 174.182 175.510 0.162 0.000 1.074 165 N CA -0.295 52.796 53.050 0.068 0.000 0.850 165 N CB 1.224 39.731 38.487 0.034 0.000 1.228 165 N HN 0.328 nan 8.380 nan 0.000 0.491 166 L N 1.364 122.630 121.223 0.071 0.000 2.472 166 L HA 0.278 4.618 4.340 -0.001 0.000 0.260 166 L C 0.294 177.124 176.870 -0.067 0.000 0.963 166 L CA -0.817 54.022 54.840 -0.001 0.000 0.829 166 L CB 2.152 44.165 42.059 -0.077 0.000 1.348 166 L HN 0.606 nan 8.230 nan 0.000 0.408 167 S N 0.632 116.281 115.700 -0.085 0.000 2.624 167 S HA 0.278 4.748 4.470 -0.001 0.000 0.263 167 S C 0.767 175.274 174.600 -0.155 0.000 1.287 167 S CA -0.562 57.587 58.200 -0.086 0.000 0.990 167 S CB 1.403 64.565 63.200 -0.064 0.000 0.950 167 S HN 0.671 nan 8.310 nan 0.000 0.561 168 K N 0.164 120.497 120.400 -0.112 0.000 2.097 168 K HA -0.061 4.258 4.320 -0.001 0.000 0.206 168 K C 1.963 178.459 176.600 -0.173 0.000 1.049 168 K CA 1.305 57.508 56.287 -0.139 0.000 0.933 168 K CB -0.637 31.875 32.500 0.019 0.000 0.717 168 K HN 0.444 nan 8.250 nan 0.000 0.442 169 V N 1.889 121.741 119.914 -0.103 0.000 2.295 169 V HA -0.263 3.856 4.120 -0.001 0.000 0.246 169 V C 1.929 177.940 176.094 -0.138 0.000 1.049 169 V CA 1.877 64.127 62.300 -0.084 0.000 1.024 169 V CB -0.421 31.372 31.823 -0.051 0.000 0.648 169 V HN 0.354 nan 8.190 nan 0.000 0.447 170 E N -0.033 120.060 120.200 -0.178 0.000 2.110 170 E HA -0.198 4.152 4.350 -0.001 0.000 0.193 170 E C 2.233 178.636 176.600 -0.328 0.000 0.988 170 E CA 1.119 57.382 56.400 -0.229 0.000 0.804 170 E CB -0.248 29.300 29.700 -0.253 0.000 0.745 170 E HN 0.478 nan 8.360 nan 0.000 0.458 171 L N 0.837 121.782 121.223 -0.464 0.000 2.012 171 L HA -0.246 4.093 4.340 -0.001 0.000 0.210 171 L C 2.589 179.135 176.870 -0.540 0.000 1.073 171 L CA 1.280 55.686 54.840 -0.724 0.000 0.748 171 L CB -0.441 40.730 42.059 -1.480 0.000 0.891 171 L HN 0.163 nan 8.230 nan 0.000 0.431 172 A N -0.342 122.252 122.820 -0.377 0.000 1.877 172 A HA -0.243 4.076 4.320 -0.001 0.000 0.216 172 A C 2.154 179.756 177.584 0.029 0.000 1.186 172 A CA 1.860 53.928 52.037 0.052 0.000 0.620 172 A CB -0.500 18.587 19.000 0.146 0.000 0.822 172 A HN 0.469 nan 8.150 nan 0.000 0.443 173 E N -0.425 119.749 120.200 -0.044 0.000 2.051 173 E HA -0.155 4.194 4.350 -0.001 0.000 0.192 173 E C 1.896 178.464 176.600 -0.054 0.000 0.991 173 E CA 1.319 57.702 56.400 -0.028 0.000 0.799 173 E CB -0.295 29.377 29.700 -0.047 0.000 0.748 173 E HN 0.693 nan 8.360 nan 0.000 0.449 174 I N 0.611 121.107 120.570 -0.123 0.000 2.226 174 I HA -0.311 3.858 4.170 -0.001 0.000 0.245 174 I C 2.358 178.452 176.117 -0.038 0.000 1.100 174 I CA 0.733 61.964 61.300 -0.115 0.000 1.374 174 I CB -0.187 37.676 38.000 -0.229 0.000 1.057 174 I HN 0.250 nan 8.210 nan 0.000 0.413 175 C N 0.593 119.895 119.300 0.003 0.000 2.440 175 C HA -0.089 4.371 4.460 -0.001 0.000 0.278 175 C C 3.160 178.185 174.990 0.057 0.000 1.295 175 C CA 0.736 59.801 59.018 0.078 0.000 1.738 175 C CB -1.292 26.576 27.740 0.214 0.000 1.987 175 C HN 0.590 nan 8.230 nan 0.000 0.492 176 A N 0.761 123.611 122.820 0.050 0.000 1.933 176 A HA -0.202 4.118 4.320 -0.001 0.000 0.218 176 A C 2.153 179.721 177.584 -0.026 0.000 1.175 176 A CA 1.647 53.701 52.037 0.029 0.000 0.628 176 A CB -0.382 18.643 19.000 0.042 0.000 0.814 176 A HN 0.709 nan 8.150 nan 0.000 0.444 177 K N 0.174 120.543 120.400 -0.051 0.000 2.116 177 K HA -0.071 4.249 4.320 -0.001 0.000 0.203 177 K C 2.367 178.829 176.600 -0.229 0.000 1.052 177 K CA 1.352 57.566 56.287 -0.122 0.000 0.952 177 K CB -0.145 32.293 32.500 -0.104 0.000 0.729 177 K HN 0.637 nan 8.250 nan 0.000 0.446 178 S N 1.129 116.757 115.700 -0.120 0.000 2.402 178 S HA -0.179 4.290 4.470 -0.001 0.000 0.229 178 S C 2.012 176.592 174.600 -0.033 0.000 1.021 178 S CA 1.128 59.285 58.200 -0.073 0.000 0.974 178 S CB -0.118 63.183 63.200 0.168 0.000 0.800 178 S HN 0.334 nan 8.310 nan 0.000 0.484 179 E N 1.575 121.769 120.200 -0.010 0.000 2.204 179 E HA -0.142 4.208 4.350 -0.001 0.000 0.195 179 E C 2.121 178.704 176.600 -0.028 0.000 0.990 179 E CA 0.729 57.151 56.400 0.037 0.000 0.821 179 E CB -0.111 29.625 29.700 0.060 0.000 0.750 179 E HN 0.562 nan 8.360 nan 0.000 0.477 180 R N -0.702 119.712 120.500 -0.145 0.000 2.241 180 R HA -0.141 4.198 4.340 -0.001 0.000 0.224 180 R C 1.636 177.831 176.300 -0.174 0.000 1.101 180 R CA 1.118 57.116 56.100 -0.170 0.000 0.995 180 R CB -0.255 29.925 30.300 -0.201 0.000 0.870 180 R HN 0.422 nan 8.270 nan 0.000 0.463 181 Y N -0.228 120.055 120.300 -0.027 0.000 2.497 181 Y HA -0.143 4.407 4.550 -0.000 0.000 0.292 181 Y C 2.022 177.872 175.900 -0.083 0.000 1.137 181 Y CA 0.142 58.215 58.100 -0.045 0.000 1.285 181 Y CB 0.035 38.467 38.460 -0.046 0.000 0.991 181 Y HN 0.021 nan 8.280 nan 0.000 0.556 182 I N -0.747 119.843 120.570 0.034 0.000 3.111 182 I HA -0.022 4.148 4.170 -0.001 0.000 0.272 182 I C 1.798 177.875 176.117 -0.066 0.000 1.268 182 I CA 1.446 62.682 61.300 -0.106 0.000 1.467 182 I CB -0.318 37.540 38.000 -0.237 0.000 1.087 182 I HN 0.282 nan 8.210 nan 0.000 0.467 183 G N -0.477 108.309 108.800 -0.023 0.000 2.211 183 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.201 183 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.201 183 G C 0.583 175.482 174.900 -0.002 0.000 0.997 183 G CA 0.135 45.228 45.100 -0.011 0.000 0.652 183 G HN 0.548 nan 8.290 nan 0.000 0.500 184 T N -0.541 114.004 114.554 -0.015 0.000 2.897 184 T HA 0.603 4.953 4.350 -0.001 0.000 0.294 184 T C 0.141 174.855 174.700 0.024 0.000 1.004 184 T CA -0.249 61.846 62.100 -0.009 0.000 1.106 184 T CB 2.058 70.843 68.868 -0.140 0.000 0.949 184 T HN 0.005 nan 8.240 nan 0.000 0.520 185 E N 2.131 122.404 120.200 0.123 0.000 2.434 185 E HA 0.259 4.608 4.350 -0.001 0.000 0.243 185 E C 0.979 177.671 176.600 0.154 0.000 1.250 185 E CA -0.271 56.177 56.400 0.080 0.000 1.568 185 E CB 0.184 29.902 29.700 0.030 0.000 1.435 185 E HN 0.890 nan 8.360 nan 0.000 0.432 186 G N -0.489 108.440 108.800 0.215 0.000 2.535 186 G HA2 0.441 4.401 3.960 -0.001 0.000 0.282 186 G HA3 0.441 4.401 3.960 -0.001 0.000 0.282 186 G C 0.502 175.543 174.900 0.235 0.000 1.350 186 G CA -0.033 45.286 45.100 0.365 0.000 1.039 186 G HN 0.241 nan 8.290 nan 0.000 0.509 187 G N -2.024 106.951 108.800 0.292 0.000 2.606 187 G HA2 0.454 4.413 3.960 -0.001 0.000 0.262 187 G HA3 0.454 4.413 3.960 -0.001 0.000 0.262 187 G C 0.691 175.558 174.900 -0.054 0.000 1.394 187 G CA 0.121 45.244 45.100 0.038 0.000 1.044 187 G HN 1.119 nan 8.290 nan 0.000 0.553 188 G N -0.968 107.693 108.800 -0.231 0.000 3.393 188 G HA2 0.200 4.160 3.960 -0.001 0.000 0.255 188 G HA3 0.200 4.160 3.960 -0.001 0.000 0.255 188 G C 1.223 176.255 174.900 0.220 0.000 1.097 188 G CA 0.497 45.604 45.100 0.013 0.000 0.780 188 G HN 0.484 nan 8.290 nan 0.000 0.540 189 M N 0.564 120.274 119.600 0.184 0.000 2.080 189 M HA -0.097 4.383 4.480 -0.001 0.000 0.260 189 M C 1.696 178.092 176.300 0.160 0.000 1.068 189 M CA 2.087 57.568 55.300 0.302 0.000 1.109 189 M CB -0.051 32.678 32.600 0.215 0.000 1.342 189 M HN 0.034 nan 8.290 nan 0.000 0.405 190 D N 0.186 120.643 120.400 0.095 0.000 2.117 190 D HA -0.178 4.462 4.640 -0.001 0.000 0.197 190 D C 2.052 178.376 176.300 0.040 0.000 0.987 190 D CA 1.575 55.602 54.000 0.045 0.000 0.829 190 D CB -0.502 40.307 40.800 0.015 0.000 0.961 190 D HN 0.522 nan 8.370 nan 0.000 0.460 191 Q N 0.254 120.104 119.800 0.082 0.000 2.119 191 Q HA 0.018 4.358 4.340 -0.001 0.000 0.201 191 Q C 2.281 178.397 176.000 0.194 0.000 0.972 191 Q CA 0.955 56.831 55.803 0.122 0.000 0.847 191 Q CB -0.159 28.685 28.738 0.176 0.000 0.903 191 Q HN 0.066 nan 8.270 nan 0.000 0.433 192 S N 0.482 116.295 115.700 0.189 0.000 2.348 192 S HA -0.133 4.337 4.470 -0.001 0.000 0.221 192 S C 1.824 176.492 174.600 0.113 0.000 1.033 192 S CA 1.105 59.413 58.200 0.179 0.000 1.010 192 S CB -0.306 62.999 63.200 0.175 0.000 0.891 192 S HN 0.298 nan 8.310 nan 0.000 0.442 193 I N 1.391 121.999 120.570 0.063 0.000 2.315 193 I HA -0.093 4.077 4.170 -0.001 0.000 0.248 193 I C 2.398 178.501 176.117 -0.022 0.000 1.117 193 I CA 0.966 62.273 61.300 0.011 0.000 1.404 193 I CB -0.675 37.318 38.000 -0.012 0.000 1.071 193 I HN 0.189 nan 8.210 nan 0.000 0.419 194 S N -0.258 115.402 115.700 -0.067 0.000 2.370 194 S HA -0.203 4.266 4.470 -0.001 0.000 0.226 194 S C 1.983 176.415 174.600 -0.280 0.000 1.033 194 S CA 1.828 59.903 58.200 -0.210 0.000 1.011 194 S CB -0.494 62.508 63.200 -0.332 0.000 0.852 194 S HN 0.509 nan 8.310 nan 0.000 0.457 195 F N 0.578 120.528 119.950 0.000 0.000 2.335 195 F HA 0.278 4.805 4.527 -0.001 0.000 0.296 195 F C 1.808 177.603 175.800 -0.009 0.000 1.091 195 F CA 0.533 58.531 58.000 -0.003 0.000 1.399 195 F CB 0.005 39.002 39.000 -0.005 0.000 1.067 195 F HN 0.139 nan 8.300 nan 0.000 0.520 196 L N -0.677 120.636 121.223 0.151 0.000 2.529 196 L HA 0.270 4.610 4.340 -0.001 0.000 0.223 196 L C 1.300 178.188 176.870 0.030 0.000 1.113 196 L CA -0.388 54.500 54.840 0.079 0.000 0.861 196 L CB -0.629 41.462 42.059 0.054 0.000 1.012 196 L HN -0.051 nan 8.230 nan 0.000 0.461 197 A N 1.010 123.837 122.820 0.011 0.000 2.507 197 A HA 0.142 4.462 4.320 -0.001 0.000 0.235 197 A C 0.048 177.630 177.584 -0.004 0.000 1.070 197 A CA 0.425 52.456 52.037 -0.009 0.000 0.768 197 A CB 0.089 19.074 19.000 -0.025 0.000 1.011 197 A HN 0.325 nan 8.150 nan 0.000 0.502 198 E N 0.234 120.429 120.200 -0.009 0.000 2.256 198 E HA 0.271 4.620 4.350 -0.001 0.000 0.268 198 E C -0.783 175.813 176.600 -0.006 0.000 0.877 198 E CA -0.583 55.815 56.400 -0.004 0.000 0.757 198 E CB 1.845 31.544 29.700 -0.002 0.000 1.183 198 E HN 0.804 nan 8.360 nan 0.000 0.418 199 E N 0.753 120.951 120.200 -0.003 0.000 2.442 199 E HA 0.113 4.462 4.350 -0.001 0.000 0.262 199 E C 0.784 177.385 176.600 0.002 0.000 1.004 199 E CA 1.289 57.688 56.400 -0.002 0.000 0.928 199 E CB 0.343 30.043 29.700 0.000 0.000 0.937 199 E HN 0.744 nan 8.360 nan 0.000 0.446 200 G N 2.632 111.436 108.800 0.006 0.000 2.225 200 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.254 200 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.254 200 G C 0.327 175.234 174.900 0.011 0.000 0.988 200 G CA 0.419 45.526 45.100 0.012 0.000 0.625 200 G HN 0.746 nan 8.290 nan 0.000 0.527 201 T N -0.488 114.066 114.554 0.000 0.000 2.903 201 T HA 0.785 5.135 4.350 -0.001 0.000 0.299 201 T C 0.198 174.884 174.700 -0.025 0.000 1.093 201 T CA 0.886 62.984 62.100 -0.003 0.000 1.002 201 T CB 1.418 70.286 68.868 -0.001 0.000 1.127 201 T HN 1.545 nan 8.240 nan 0.000 0.488 202 A N 3.162 125.962 122.820 -0.033 0.000 2.246 202 A HA 0.875 5.195 4.320 -0.001 0.000 0.291 202 A C -0.480 177.073 177.584 -0.051 0.000 1.103 202 A CA -0.462 51.533 52.037 -0.069 0.000 0.844 202 A CB 0.615 19.551 19.000 -0.108 0.000 1.136 202 A HN 0.682 nan 8.150 nan 0.000 0.500 203 K N -0.111 120.248 120.400 -0.068 0.000 2.422 203 K HA 0.434 4.754 4.320 -0.001 0.000 0.251 203 K C -1.716 174.837 176.600 -0.078 0.000 0.933 203 K CA -0.664 55.587 56.287 -0.061 0.000 0.798 203 K CB 2.102 34.566 32.500 -0.060 0.000 1.238 203 K HN 0.529 nan 8.250 nan 0.000 0.428 204 L N 3.524 124.705 121.223 -0.071 0.000 2.260 204 L HA 0.426 4.766 4.340 -0.001 0.000 0.289 204 L C -0.756 176.034 176.870 -0.134 0.000 1.057 204 L CA -0.040 54.749 54.840 -0.085 0.000 0.811 204 L CB 0.248 42.274 42.059 -0.054 0.000 1.184 204 L HN 0.507 nan 8.230 nan 0.000 0.429 205 I N 5.153 125.609 120.570 -0.190 0.000 2.339 205 I HA 0.332 4.502 4.170 -0.001 0.000 0.290 205 I C -0.246 175.515 176.117 -0.593 0.000 0.994 205 I CA -0.392 60.698 61.300 -0.350 0.000 1.191 205 I CB 1.230 39.038 38.000 -0.320 0.000 1.343 205 I HN 0.657 nan 8.210 nan 0.000 0.458 206 E N 5.696 125.550 120.200 -0.578 0.000 2.221 206 E HA 0.598 4.948 4.350 -0.001 0.000 0.268 206 E C -1.352 174.832 176.600 -0.693 0.000 0.933 206 E CA -0.616 55.473 56.400 -0.518 0.000 0.809 206 E CB 2.090 31.668 29.700 -0.204 0.000 1.190 206 E HN 0.267 nan 8.360 nan 0.000 0.406 207 F N 0.504 120.448 119.950 -0.009 0.000 2.523 207 F HA 0.275 4.801 4.527 -0.001 0.000 0.329 207 F C 0.494 176.281 175.800 -0.023 0.000 1.061 207 F CA -1.079 56.912 58.000 -0.015 0.000 0.967 207 F CB 1.987 40.976 39.000 -0.019 0.000 1.218 207 F HN 0.493 nan 8.300 nan 0.000 0.480 208 S N 2.230 118.036 115.700 0.176 0.000 3.275 208 S HA -0.121 4.349 4.470 -0.001 0.000 0.385 208 S C -2.301 172.324 174.600 0.042 0.000 0.887 208 S CA -0.915 57.338 58.200 0.088 0.000 1.346 208 S CB -1.597 61.651 63.200 0.080 0.000 0.955 208 S HN 0.495 nan 8.310 nan 0.000 0.587 209 P HA 0.473 nan 4.420 nan 0.000 0.278 209 P C -0.075 177.228 177.300 0.005 0.000 1.258 209 P CA -1.042 62.070 63.100 0.020 0.000 0.811 209 P CB 0.584 32.285 31.700 0.002 0.000 1.063 210 L N 2.473 123.703 121.223 0.011 0.000 2.418 210 L HA 0.223 4.563 4.340 -0.001 0.000 0.274 210 L C 0.096 176.924 176.870 -0.071 0.000 1.135 210 L CA 0.696 55.517 54.840 -0.032 0.000 0.870 210 L CB -0.674 41.397 42.059 0.021 0.000 1.154 210 L HN 0.353 nan 8.230 nan 0.000 0.462 211 R N 3.883 124.303 120.500 -0.133 0.000 2.651 211 R HA 0.842 5.182 4.340 -0.001 0.000 0.278 211 R C -1.357 174.860 176.300 -0.137 0.000 1.010 211 R CA -0.565 55.472 56.100 -0.105 0.000 0.896 211 R CB 1.919 32.168 30.300 -0.085 0.000 1.211 211 R HN 0.726 nan 8.270 nan 0.000 0.456 212 A N 1.408 124.173 122.820 -0.091 0.000 2.330 212 A HA 0.693 5.013 4.320 -0.001 0.000 0.313 212 A C -0.876 176.672 177.584 -0.059 0.000 1.124 212 A CA -0.567 51.419 52.037 -0.084 0.000 0.774 212 A CB 1.614 20.579 19.000 -0.058 0.000 1.198 212 A HN 0.526 nan 8.150 nan 0.000 0.465 213 T N 2.245 116.764 114.554 -0.059 0.000 2.812 213 T HA 0.366 4.716 4.350 -0.001 0.000 0.282 213 T C -0.840 173.843 174.700 -0.028 0.000 0.990 213 T CA -0.334 61.743 62.100 -0.038 0.000 0.960 213 T CB 0.983 69.829 68.868 -0.037 0.000 0.948 213 T HN 0.654 nan 8.240 nan 0.000 0.438 214 D N 1.942 122.332 120.400 -0.017 0.000 2.472 214 D HA 0.258 4.898 4.640 -0.001 0.000 0.237 214 D C -0.344 175.957 176.300 0.002 0.000 1.141 214 D CA 0.333 54.327 54.000 -0.009 0.000 0.875 214 D CB 0.718 41.517 40.800 -0.003 0.000 1.192 214 D HN 0.138 nan 8.370 nan 0.000 0.450 215 V N 2.878 122.797 119.914 0.009 0.000 2.525 215 V HA 0.176 4.295 4.120 -0.001 0.000 0.299 215 V C 0.110 176.232 176.094 0.047 0.000 1.034 215 V CA -0.976 61.346 62.300 0.036 0.000 0.863 215 V CB 1.893 33.750 31.823 0.057 0.000 0.999 215 V HN 0.360 nan 8.190 nan 0.000 0.423 216 K N 5.510 125.941 120.400 0.052 0.000 2.276 216 K HA 0.562 4.881 4.320 -0.001 0.000 0.285 216 K C -0.725 175.927 176.600 0.087 0.000 1.062 216 K CA -0.468 55.851 56.287 0.054 0.000 0.918 216 K CB 0.670 33.191 32.500 0.035 0.000 1.055 216 K HN 0.604 nan 8.250 nan 0.000 0.477 217 L N 5.763 127.053 121.223 0.113 0.000 2.418 217 L HA 0.315 4.654 4.340 -0.001 0.000 0.265 217 L C -1.790 175.161 176.870 0.133 0.000 1.143 217 L CA -2.334 52.619 54.840 0.188 0.000 0.809 217 L CB 0.512 42.729 42.059 0.264 0.000 1.124 217 L HN 0.606 nan 8.230 nan 0.000 0.456 218 P HA -0.010 nan 4.420 nan 0.000 0.262 218 P C 0.263 177.587 177.300 0.039 0.000 1.182 218 P CA 0.095 63.220 63.100 0.041 0.000 0.761 218 P CB 0.566 32.265 31.700 -0.003 0.000 0.795 219 S N 2.129 117.838 115.700 0.015 0.000 2.402 219 S HA -0.055 4.414 4.470 -0.001 0.000 0.229 219 S C 1.859 176.454 174.600 -0.008 0.000 1.021 219 S CA 1.017 59.223 58.200 0.010 0.000 0.974 219 S CB -0.700 62.502 63.200 0.004 0.000 0.800 219 S HN 0.618 nan 8.310 nan 0.000 0.484 220 G N 0.484 109.268 108.800 -0.027 0.000 3.141 220 G HA2 0.593 4.553 3.960 -0.001 0.000 0.218 220 G HA3 0.593 4.553 3.960 -0.001 0.000 0.218 220 G C 0.089 174.947 174.900 -0.071 0.000 1.170 220 G CA 0.277 45.352 45.100 -0.042 0.000 0.769 220 G HN 0.722 nan 8.290 nan 0.000 0.546 221 A N -0.588 122.177 122.820 -0.092 0.000 2.423 221 A HA 0.819 5.138 4.320 -0.001 0.000 0.304 221 A C -1.259 176.218 177.584 -0.179 0.000 1.104 221 A CA -0.490 51.443 52.037 -0.173 0.000 0.757 221 A CB 2.122 20.969 19.000 -0.254 0.000 1.313 221 A HN 0.266 nan 8.150 nan 0.000 0.423 222 V N 0.611 120.374 119.914 -0.251 0.000 2.680 222 V HA 0.483 4.603 4.120 -0.001 0.000 0.309 222 V C -1.074 174.822 176.094 -0.331 0.000 1.052 222 V CA -0.387 61.808 62.300 -0.176 0.000 0.908 222 V CB 1.534 33.299 31.823 -0.097 0.000 1.001 222 V HN 0.727 nan 8.190 nan 0.000 0.431 223 F N 2.672 122.582 119.950 -0.067 0.000 2.396 223 F HA 0.623 5.149 4.527 -0.001 0.000 0.343 223 F C 0.204 175.941 175.800 -0.104 0.000 1.104 223 F CA -0.257 57.693 58.000 -0.083 0.000 1.161 223 F CB 1.601 40.574 39.000 -0.045 0.000 1.146 223 F HN 0.140 nan 8.300 nan 0.000 0.522 224 V N 5.083 125.001 119.914 0.005 0.000 2.709 224 V HA 0.425 4.544 4.120 -0.001 0.000 0.308 224 V C -0.175 175.862 176.094 -0.096 0.000 1.062 224 V CA -0.906 61.361 62.300 -0.056 0.000 0.901 224 V CB 2.099 33.911 31.823 -0.019 0.000 1.003 224 V HN 0.503 nan 8.190 nan 0.000 0.425 225 I N 3.431 123.795 120.570 -0.343 0.000 2.392 225 I HA 0.770 4.939 4.170 -0.001 0.000 0.295 225 I C 0.260 176.162 176.117 -0.359 0.000 0.985 225 I CA -0.417 60.634 61.300 -0.415 0.000 1.221 225 I CB 1.777 39.312 38.000 -0.775 0.000 1.366 225 I HN 0.717 nan 8.210 nan 0.000 0.467 226 A N 5.271 128.017 122.820 -0.123 0.000 2.357 226 A HA 0.453 4.772 4.320 -0.001 0.000 0.295 226 A C -0.818 176.805 177.584 0.064 0.000 1.121 226 A CA -0.644 51.402 52.037 0.016 0.000 0.742 226 A CB 0.936 19.991 19.000 0.092 0.000 1.181 226 A HN 0.657 nan 8.150 nan 0.000 0.454 227 N N 1.473 120.275 118.700 0.169 0.000 2.488 227 N HA 0.122 4.862 4.740 -0.001 0.000 0.274 227 N C 1.404 177.046 175.510 0.220 0.000 1.111 227 N CA 0.579 53.741 53.050 0.188 0.000 0.974 227 N CB 1.462 40.087 38.487 0.230 0.000 1.089 227 N HN 0.645 nan 8.380 nan 0.000 0.465 228 S N 2.054 117.826 115.700 0.119 0.000 2.447 228 S HA -0.087 4.382 4.470 -0.001 0.000 0.233 228 S C 1.092 175.867 174.600 0.291 0.000 1.006 228 S CA 0.726 59.005 58.200 0.132 0.000 0.957 228 S CB -0.584 62.678 63.200 0.103 0.000 0.773 228 S HN 0.732 nan 8.310 nan 0.000 0.507 229 C N -0.328 119.118 119.300 0.243 0.000 4.593 229 C HA -0.116 4.344 4.460 -0.001 0.000 0.263 229 C C 0.438 175.525 174.990 0.161 0.000 1.378 229 C CA 0.132 59.281 59.018 0.217 0.000 1.666 229 C CB -2.851 25.041 27.740 0.253 0.000 1.603 229 C HN 0.564 nan 8.230 nan 0.000 0.704 230 V N 1.927 121.934 119.914 0.154 0.000 2.408 230 V HA 0.257 4.377 4.120 -0.001 0.000 0.267 230 V C 0.596 176.769 176.094 0.132 0.000 1.047 230 V CA 0.458 62.837 62.300 0.132 0.000 0.937 230 V CB 1.136 33.039 31.823 0.133 0.000 0.999 230 V HN 0.349 nan 8.190 nan 0.000 0.472 231 E N 4.556 124.828 120.200 0.120 0.000 2.343 231 E HA 0.406 4.756 4.350 -0.001 0.000 0.269 231 E C -0.418 176.261 176.600 0.132 0.000 1.047 231 E CA -0.496 55.977 56.400 0.121 0.000 0.874 231 E CB 1.206 30.969 29.700 0.106 0.000 1.033 231 E HN 0.376 nan 8.360 nan 0.000 0.409 232 M N 3.670 123.356 119.600 0.143 0.000 2.149 232 M HA 0.171 4.651 4.480 -0.001 0.000 0.273 232 M C -1.588 174.803 176.300 0.151 0.000 0.972 232 M CA -0.321 55.078 55.300 0.164 0.000 0.984 232 M CB 1.061 33.792 32.600 0.219 0.000 1.699 232 M HN 0.466 nan 8.290 nan 0.000 0.462 233 N N 3.158 121.939 118.700 0.135 0.000 2.437 233 N HA 0.134 4.874 4.740 -0.001 0.000 0.243 233 N C 0.429 176.011 175.510 0.120 0.000 1.041 233 N CA -0.301 52.824 53.050 0.124 0.000 0.940 233 N CB 1.048 39.610 38.487 0.125 0.000 1.133 233 N HN 0.402 nan 8.380 nan 0.000 0.506 234 K N 2.657 123.120 120.400 0.106 0.000 2.063 234 K HA -0.114 4.205 4.320 -0.001 0.000 0.208 234 K C 1.662 178.294 176.600 0.054 0.000 1.048 234 K CA 1.486 57.817 56.287 0.073 0.000 0.928 234 K CB -0.226 32.236 32.500 -0.064 0.000 0.713 234 K HN 0.643 nan 8.250 nan 0.000 0.442 235 A N 0.055 122.920 122.820 0.075 0.000 2.066 235 A HA 0.107 4.427 4.320 -0.001 0.000 0.218 235 A C 2.029 179.634 177.584 0.036 0.000 1.157 235 A CA 1.456 53.525 52.037 0.053 0.000 0.670 235 A CB -0.382 18.662 19.000 0.074 0.000 0.804 235 A HN 0.251 nan 8.150 nan 0.000 0.453 236 A N -0.541 122.312 122.820 0.054 0.000 2.275 236 A HA 0.392 4.711 4.320 -0.001 0.000 0.212 236 A C 1.175 178.760 177.584 0.001 0.000 1.201 236 A CA 1.101 53.156 52.037 0.030 0.000 0.843 236 A CB -0.453 18.578 19.000 0.052 0.000 0.873 236 A HN 0.608 nan 8.150 nan 0.000 0.492 237 T N -4.176 110.376 114.554 -0.004 0.000 2.907 237 T HA 0.474 4.824 4.350 -0.001 0.000 0.290 237 T C 0.722 175.353 174.700 -0.116 0.000 1.066 237 T CA 0.221 62.271 62.100 -0.084 0.000 1.012 237 T CB 1.542 70.370 68.868 -0.067 0.000 1.184 237 T HN 0.306 nan 8.240 nan 0.000 0.522 238 S N -0.845 114.706 115.700 -0.249 0.000 2.517 238 S HA 0.022 4.492 4.470 -0.001 0.000 0.214 238 S C 1.540 176.002 174.600 -0.231 0.000 0.991 238 S CA -0.243 57.838 58.200 -0.199 0.000 0.906 238 S CB -0.804 62.266 63.200 -0.217 0.000 0.789 238 S HN 0.766 nan 8.310 nan 0.000 0.513 239 H N 1.286 120.141 119.070 -0.359 0.000 2.267 239 H HA -0.170 4.385 4.556 -0.001 0.000 0.291 239 H C 1.792 176.853 175.328 -0.446 0.000 1.094 239 H CA 1.999 57.655 56.048 -0.653 0.000 1.227 239 H CB -0.846 27.982 29.762 -1.556 0.000 1.351 239 H HN 0.537 nan 8.280 nan 0.000 0.483 240 F N 2.352 122.172 119.950 -0.216 0.000 2.043 240 F HA -0.265 4.262 4.527 -0.001 0.000 0.297 240 F C 2.226 178.049 175.800 0.038 0.000 1.121 240 F CA 1.690 59.744 58.000 0.090 0.000 1.199 240 F CB -0.262 38.839 39.000 0.168 0.000 0.968 240 F HN 0.028 nan 8.300 nan 0.000 0.478 241 N N 0.716 119.507 118.700 0.151 0.000 2.289 241 N HA -0.162 4.578 4.740 -0.001 0.000 0.184 241 N C 1.947 177.418 175.510 -0.065 0.000 1.016 241 N CA 1.557 54.620 53.050 0.022 0.000 0.872 241 N CB -0.493 38.032 38.487 0.063 0.000 0.973 241 N HN 0.402 nan 8.380 nan 0.000 0.433 242 I N 0.665 121.190 120.570 -0.075 0.000 2.226 242 I HA -0.229 3.941 4.170 -0.001 0.000 0.245 242 I C 2.198 178.267 176.117 -0.079 0.000 1.100 242 I CA 0.877 62.132 61.300 -0.074 0.000 1.374 242 I CB -0.014 37.911 38.000 -0.125 0.000 1.057 242 I HN 0.031 nan 8.210 nan 0.000 0.413 243 R N 0.411 120.830 120.500 -0.135 0.000 2.081 243 R HA -0.090 4.249 4.340 -0.001 0.000 0.235 243 R C 2.314 178.564 176.300 -0.084 0.000 1.131 243 R CA 1.082 57.077 56.100 -0.175 0.000 0.960 243 R CB -1.131 29.047 30.300 -0.204 0.000 0.856 243 R HN 0.253 nan 8.270 nan 0.000 0.436 244 V N 1.524 121.282 119.914 -0.260 0.000 2.287 244 V HA -0.283 3.836 4.120 -0.001 0.000 0.248 244 V C 2.513 178.575 176.094 -0.054 0.000 1.053 244 V CA 1.704 63.827 62.300 -0.297 0.000 1.027 244 V CB -0.428 31.093 31.823 -0.503 0.000 0.646 244 V HN 0.188 nan 8.190 nan 0.000 0.447 245 M N -0.558 119.027 119.600 -0.025 0.000 2.117 245 M HA -0.160 4.319 4.480 -0.001 0.000 0.262 245 M C 2.143 178.487 176.300 0.072 0.000 1.065 245 M CA 1.568 56.894 55.300 0.043 0.000 1.114 245 M CB -1.295 31.376 32.600 0.118 0.000 1.361 245 M HN 0.450 nan 8.290 nan 0.000 0.408 246 E N -0.353 119.914 120.200 0.111 0.000 2.085 246 E HA -0.184 4.166 4.350 -0.001 0.000 0.194 246 E C 2.192 178.824 176.600 0.054 0.000 0.994 246 E CA 1.530 58.004 56.400 0.122 0.000 0.801 246 E CB -0.130 29.616 29.700 0.077 0.000 0.743 246 E HN 0.485 nan 8.360 nan 0.000 0.453 247 C N 0.305 119.656 119.300 0.085 0.000 2.446 247 C HA -0.061 4.399 4.460 -0.001 0.000 0.277 247 C C 2.636 177.658 174.990 0.053 0.000 1.275 247 C CA 0.445 59.523 59.018 0.101 0.000 1.727 247 C CB -0.815 27.058 27.740 0.222 0.000 2.010 247 C HN 0.396 nan 8.230 nan 0.000 0.486 248 R N 0.633 121.159 120.500 0.044 0.000 2.073 248 R HA -0.088 4.252 4.340 -0.001 0.000 0.234 248 R C 2.084 178.370 176.300 -0.024 0.000 1.134 248 R CA 1.451 57.563 56.100 0.020 0.000 0.952 248 R CB -0.316 29.991 30.300 0.011 0.000 0.850 248 R HN 0.489 nan 8.270 nan 0.000 0.433 249 L N 0.035 121.210 121.223 -0.079 0.000 2.056 249 L HA -0.108 4.232 4.340 -0.001 0.000 0.207 249 L C 2.694 179.457 176.870 -0.179 0.000 1.078 249 L CA 1.180 55.914 54.840 -0.177 0.000 0.749 249 L CB -0.558 41.306 42.059 -0.324 0.000 0.901 249 L HN 0.337 nan 8.230 nan 0.000 0.433 250 A N 0.205 122.949 122.820 -0.127 0.000 1.908 250 A HA -0.221 4.099 4.320 -0.001 0.000 0.218 250 A C 2.550 180.104 177.584 -0.050 0.000 1.181 250 A CA 1.872 53.839 52.037 -0.117 0.000 0.627 250 A CB -0.753 18.216 19.000 -0.052 0.000 0.818 250 A HN 0.408 nan 8.150 nan 0.000 0.445 251 A N -0.230 122.591 122.820 0.002 0.000 1.908 251 A HA -0.204 4.116 4.320 -0.001 0.000 0.218 251 A C 2.122 179.741 177.584 0.059 0.000 1.181 251 A CA 1.970 54.041 52.037 0.058 0.000 0.627 251 A CB -0.472 18.568 19.000 0.067 0.000 0.818 251 A HN 0.571 nan 8.150 nan 0.000 0.445 252 K N -0.913 119.502 120.400 0.024 0.000 2.026 252 K HA -0.095 4.225 4.320 -0.001 0.000 0.208 252 K C 1.805 178.370 176.600 -0.058 0.000 1.048 252 K CA 1.418 57.735 56.287 0.049 0.000 0.929 252 K CB -0.383 32.140 32.500 0.039 0.000 0.713 252 K HN 0.315 nan 8.250 nan 0.000 0.439 253 L N 1.032 122.160 121.223 -0.159 0.000 2.083 253 L HA -0.166 4.174 4.340 -0.001 0.000 0.209 253 L C 2.121 178.965 176.870 -0.044 0.000 1.083 253 L CA 1.427 56.154 54.840 -0.188 0.000 0.752 253 L CB -0.426 41.455 42.059 -0.297 0.000 0.899 253 L HN 0.145 nan 8.230 nan 0.000 0.433 254 L N -1.352 119.873 121.223 0.003 0.000 2.017 254 L HA -0.218 4.122 4.340 -0.001 0.000 0.208 254 L C 2.697 179.658 176.870 0.151 0.000 1.073 254 L CA 1.244 56.134 54.840 0.083 0.000 0.745 254 L CB -0.817 41.306 42.059 0.107 0.000 0.894 254 L HN 0.275 nan 8.230 nan 0.000 0.432 255 A N 0.210 123.115 122.820 0.142 0.000 1.883 255 A HA -0.294 4.025 4.320 -0.001 0.000 0.217 255 A C 2.339 180.047 177.584 0.207 0.000 1.186 255 A CA 2.259 54.405 52.037 0.182 0.000 0.624 255 A CB -0.507 18.629 19.000 0.226 0.000 0.822 255 A HN 0.318 nan 8.150 nan 0.000 0.444 256 K N -1.555 118.951 120.400 0.178 0.000 2.009 256 K HA -0.215 4.105 4.320 -0.001 0.000 0.210 256 K C 1.927 178.608 176.600 0.135 0.000 1.049 256 K CA 1.928 58.298 56.287 0.138 0.000 0.929 256 K CB -0.534 31.854 32.500 -0.186 0.000 0.714 256 K HN 0.498 nan 8.250 nan 0.000 0.440 257 Y N 0.796 121.102 120.300 0.010 0.000 2.315 257 Y HA -0.159 4.391 4.550 0.001 0.000 0.288 257 Y C 1.001 176.926 175.900 0.040 0.000 1.154 257 Y CA 1.463 59.577 58.100 0.023 0.000 1.229 257 Y CB 0.308 38.781 38.460 0.022 0.000 0.980 257 Y HN -0.056 nan 8.280 nan 0.000 0.540 258 K N 0.217 120.712 120.400 0.158 0.000 2.387 258 K HA 0.174 4.494 4.320 -0.001 0.000 0.198 258 K C 0.517 177.139 176.600 0.037 0.000 1.022 258 K CA 0.718 57.052 56.287 0.078 0.000 1.128 258 K CB 0.160 32.744 32.500 0.140 0.000 0.853 258 K HN 0.257 nan 8.250 nan 0.000 0.523 259 S N 0.473 116.202 115.700 0.047 0.000 3.586 259 S HA -0.131 4.338 4.470 -0.001 0.000 0.309 259 S C 0.323 174.973 174.600 0.084 0.000 1.195 259 S CA 0.373 58.608 58.200 0.058 0.000 0.895 259 S CB -1.729 61.477 63.200 0.011 0.000 0.983 259 S HN 0.264 nan 8.310 nan 0.000 0.563 260 L N 0.491 121.785 121.223 0.120 0.000 2.488 260 L HA 0.373 4.713 4.340 -0.001 0.000 0.249 260 L C 1.288 178.227 176.870 0.114 0.000 1.151 260 L CA -0.585 54.316 54.840 0.101 0.000 0.806 260 L CB 0.190 42.310 42.059 0.103 0.000 1.261 260 L HN 0.140 nan 8.230 nan 0.000 0.484 261 Q N 1.651 121.468 119.800 0.029 0.000 3.006 261 Q HA 0.013 4.353 4.340 -0.001 0.000 0.260 261 Q C 0.795 176.733 176.000 -0.104 0.000 1.356 261 Q CA -0.186 55.557 55.803 -0.100 0.000 1.070 261 Q CB 0.246 28.919 28.738 -0.109 0.000 1.507 261 Q HN 0.655 nan 8.270 nan 0.000 0.568 262 W N 1.484 122.788 121.300 0.007 0.000 2.364 262 W HA -0.208 4.452 4.660 -0.001 0.000 0.281 262 W C 0.448 176.964 176.519 -0.004 0.000 1.219 262 W CA 1.077 58.424 57.345 0.004 0.000 1.220 262 W CB -0.241 29.222 29.460 0.005 0.000 1.127 262 W HN 0.443 nan 8.180 nan 0.000 0.556 263 D N 1.449 121.406 120.400 -0.738 0.000 2.182 263 D HA -0.233 4.407 4.640 -0.001 0.000 0.201 263 D C 2.184 178.371 176.300 -0.188 0.000 0.986 263 D CA 2.026 55.639 54.000 -0.646 0.000 0.847 263 D CB -0.281 39.964 40.800 -0.925 0.000 0.942 263 D HN 0.179 nan 8.370 nan 0.000 0.467 264 K N -0.438 119.874 120.400 -0.147 0.000 2.314 264 K HA 0.057 4.376 4.320 -0.001 0.000 0.198 264 K C -0.177 176.422 176.600 -0.001 0.000 1.045 264 K CA 0.034 56.281 56.287 -0.066 0.000 0.988 264 K CB 0.410 32.864 32.500 -0.076 0.000 0.783 264 K HN -0.042 nan 8.250 nan 0.000 0.484 265 V N 2.712 122.652 119.914 0.043 0.000 2.585 265 V HA -0.026 4.094 4.120 -0.001 0.000 0.296 265 V C 1.144 177.281 176.094 0.072 0.000 1.035 265 V CA 0.444 62.787 62.300 0.071 0.000 1.084 265 V CB 1.317 33.211 31.823 0.118 0.000 0.953 265 V HN 0.301 nan 8.190 nan 0.000 0.483 266 L N 4.334 125.586 121.223 0.048 0.000 2.766 266 L HA 0.356 4.696 4.340 -0.001 0.000 0.241 266 L C 0.867 177.764 176.870 0.044 0.000 1.080 266 L CA 0.192 55.058 54.840 0.043 0.000 0.909 266 L CB 0.443 42.519 42.059 0.027 0.000 1.277 266 L HN 0.524 nan 8.230 nan 0.000 0.510 267 R N -0.475 120.047 120.500 0.036 0.000 2.750 267 R HA 0.376 4.715 4.340 -0.001 0.000 0.281 267 R C 0.549 176.867 176.300 0.030 0.000 0.972 267 R CA -0.640 55.475 56.100 0.024 0.000 0.912 267 R CB 2.338 32.626 30.300 -0.019 0.000 1.187 267 R HN -0.065 nan 8.270 nan 0.000 0.464 268 L N 1.198 122.437 121.223 0.028 0.000 2.079 268 L HA -0.208 4.131 4.340 -0.001 0.000 0.210 268 L C 2.436 179.413 176.870 0.177 0.000 1.081 268 L CA 1.348 56.239 54.840 0.086 0.000 0.752 268 L CB -0.210 41.772 42.059 -0.128 0.000 0.896 268 L HN 0.726 nan 8.230 nan 0.000 0.433 269 E N 0.636 120.763 120.200 -0.121 0.000 2.150 269 E HA -0.232 4.118 4.350 -0.001 0.000 0.193 269 E C 1.844 178.398 176.600 -0.077 0.000 0.985 269 E CA 1.169 57.354 56.400 -0.358 0.000 0.814 269 E CB 0.102 29.237 29.700 -0.941 0.000 0.752 269 E HN 0.547 nan 8.360 nan 0.000 0.466 270 E N -0.070 120.109 120.200 -0.035 0.000 2.085 270 E HA -0.153 4.197 4.350 -0.001 0.000 0.194 270 E C 2.218 178.849 176.600 0.052 0.000 0.994 270 E CA 1.382 57.786 56.400 0.006 0.000 0.801 270 E CB 0.100 29.812 29.700 0.020 0.000 0.743 270 E HN 0.133 nan 8.360 nan 0.000 0.453 271 V N 1.392 121.366 119.914 0.100 0.000 2.295 271 V HA -0.301 3.819 4.120 -0.001 0.000 0.246 271 V C 2.555 178.703 176.094 0.090 0.000 1.049 271 V CA 2.042 64.412 62.300 0.115 0.000 1.024 271 V CB -0.643 31.280 31.823 0.168 0.000 0.648 271 V HN 0.319 nan 8.190 nan 0.000 0.447 272 Q N 0.057 119.927 119.800 0.118 0.000 2.096 272 Q HA -0.247 4.093 4.340 -0.001 0.000 0.204 272 Q C 2.273 178.305 176.000 0.055 0.000 0.982 272 Q CA 2.196 58.041 55.803 0.071 0.000 0.850 272 Q CB -0.260 28.566 28.738 0.147 0.000 0.901 272 Q HN 0.623 nan 8.270 nan 0.000 0.422 273 A N 1.204 124.055 122.820 0.052 0.000 1.877 273 A HA -0.211 4.109 4.320 -0.001 0.000 0.216 273 A C 2.025 179.625 177.584 0.027 0.000 1.186 273 A CA 1.804 53.860 52.037 0.032 0.000 0.620 273 A CB -0.429 18.579 19.000 0.013 0.000 0.822 273 A HN 0.367 nan 8.150 nan 0.000 0.443 274 K N -0.543 119.875 120.400 0.031 0.000 2.147 274 K HA 0.006 4.326 4.320 -0.001 0.000 0.205 274 K C 1.636 178.253 176.600 0.028 0.000 1.049 274 K CA 1.232 57.536 56.287 0.028 0.000 0.936 274 K CB -0.277 32.245 32.500 0.036 0.000 0.722 274 K HN 0.476 nan 8.250 nan 0.000 0.446 275 L N -0.637 120.604 121.223 0.030 0.000 2.418 275 L HA 0.078 4.418 4.340 -0.001 0.000 0.218 275 L C 1.201 178.081 176.870 0.016 0.000 1.125 275 L CA 0.431 55.285 54.840 0.024 0.000 0.835 275 L CB -0.187 41.885 42.059 0.022 0.000 0.953 275 L HN 0.422 nan 8.230 nan 0.000 0.454 276 G N 1.659 110.469 108.800 0.017 0.000 2.179 276 G HA2 -0.299 3.661 3.960 -0.001 0.000 0.257 276 G HA3 -0.299 3.661 3.960 -0.001 0.000 0.257 276 G C 0.340 175.245 174.900 0.009 0.000 1.010 276 G CA 0.784 45.892 45.100 0.014 0.000 0.736 276 G HN 0.502 nan 8.290 nan 0.000 0.513 277 I N -1.997 118.575 120.570 0.003 0.000 3.062 277 I HA 0.849 5.019 4.170 -0.001 0.000 0.316 277 I C 0.824 176.935 176.117 -0.011 0.000 1.041 277 I CA -0.563 60.732 61.300 -0.008 0.000 1.069 277 I CB 1.610 39.597 38.000 -0.021 0.000 1.300 277 I HN 0.272 nan 8.210 nan 0.000 0.518 278 S N 1.777 117.464 115.700 -0.021 0.000 2.645 278 S HA 0.355 4.825 4.470 -0.001 0.000 0.266 278 S C 0.877 175.443 174.600 -0.056 0.000 1.258 278 S CA -0.761 57.426 58.200 -0.021 0.000 0.990 278 S CB 1.331 64.518 63.200 -0.022 0.000 0.967 278 S HN 0.729 nan 8.310 nan 0.000 0.556 279 L N 0.485 121.679 121.223 -0.049 0.000 2.046 279 L HA -0.115 4.225 4.340 -0.001 0.000 0.208 279 L C 2.646 179.448 176.870 -0.114 0.000 1.077 279 L CA 1.516 56.299 54.840 -0.095 0.000 0.747 279 L CB -0.719 41.292 42.059 -0.081 0.000 0.896 279 L HN 0.674 nan 8.230 nan 0.000 0.432 280 E N 0.246 120.403 120.200 -0.072 0.000 2.085 280 E HA -0.230 4.120 4.350 -0.001 0.000 0.194 280 E C 2.041 178.598 176.600 -0.073 0.000 0.994 280 E CA 1.247 57.611 56.400 -0.061 0.000 0.801 280 E CB -0.197 29.480 29.700 -0.037 0.000 0.743 280 E HN 0.485 nan 8.360 nan 0.000 0.453 281 E N -0.473 119.681 120.200 -0.076 0.000 2.150 281 E HA -0.133 4.217 4.350 -0.001 0.000 0.193 281 E C 1.776 178.300 176.600 -0.125 0.000 0.985 281 E CA 0.718 57.074 56.400 -0.073 0.000 0.814 281 E CB -0.084 29.586 29.700 -0.051 0.000 0.752 281 E HN 0.140 nan 8.360 nan 0.000 0.466 282 M N 0.635 120.098 119.600 -0.229 0.000 2.213 282 M HA -0.080 4.400 4.480 -0.001 0.000 0.263 282 M C 1.918 177.996 176.300 -0.369 0.000 1.062 282 M CA 1.208 56.246 55.300 -0.438 0.000 1.105 282 M CB -0.372 31.700 32.600 -0.880 0.000 1.385 282 M HN 0.102 nan 8.290 nan 0.000 0.417 283 L N -1.241 119.852 121.223 -0.217 0.000 2.093 283 L HA -0.224 4.116 4.340 -0.001 0.000 0.208 283 L C 2.119 178.961 176.870 -0.047 0.000 1.085 283 L CA 0.864 55.651 54.840 -0.088 0.000 0.755 283 L CB -0.609 41.420 42.059 -0.050 0.000 0.904 283 L HN 0.256 nan 8.230 nan 0.000 0.435 284 L N -1.432 119.764 121.223 -0.045 0.000 2.056 284 L HA -0.156 4.183 4.340 -0.001 0.000 0.207 284 L C 2.455 179.325 176.870 -0.001 0.000 1.078 284 L CA 0.724 55.560 54.840 -0.006 0.000 0.749 284 L CB -0.612 41.446 42.059 -0.001 0.000 0.901 284 L HN -0.015 nan 8.230 nan 0.000 0.433 285 V N -0.579 119.319 119.914 -0.027 0.000 2.287 285 V HA -0.313 3.807 4.120 -0.001 0.000 0.248 285 V C 2.565 178.634 176.094 -0.042 0.000 1.053 285 V CA 2.431 64.727 62.300 -0.007 0.000 1.027 285 V CB -1.013 30.803 31.823 -0.013 0.000 0.646 285 V HN 0.489 nan 8.190 nan 0.000 0.447 286 T N -0.371 114.163 114.554 -0.033 0.000 2.684 286 T HA -0.272 4.077 4.350 -0.001 0.000 0.267 286 T C 1.922 176.655 174.700 0.055 0.000 1.036 286 T CA 1.928 64.034 62.100 0.010 0.000 1.148 286 T CB -0.319 68.572 68.868 0.038 0.000 0.863 286 T HN 0.520 nan 8.240 nan 0.000 0.436 287 E N 1.155 121.404 120.200 0.081 0.000 2.171 287 E HA -0.172 4.178 4.350 -0.001 0.000 0.197 287 E C 1.613 178.271 176.600 0.097 0.000 0.997 287 E CA 1.383 57.895 56.400 0.188 0.000 0.810 287 E CB -0.243 29.539 29.700 0.136 0.000 0.738 287 E HN 0.402 nan 8.360 nan 0.000 0.467 288 D N -1.112 119.283 120.400 -0.009 0.000 2.240 288 D HA 0.075 4.714 4.640 -0.001 0.000 0.206 288 D C 1.520 177.600 176.300 -0.367 0.000 0.963 288 D CA 1.224 55.173 54.000 -0.084 0.000 0.863 288 D CB -0.147 40.655 40.800 0.003 0.000 0.973 288 D HN 0.290 nan 8.370 nan 0.000 0.501 289 A N -0.015 122.465 122.820 -0.566 0.000 2.030 289 A HA 0.181 4.500 4.320 -0.001 0.000 0.215 289 A C 0.921 178.316 177.584 -0.314 0.000 1.164 289 A CA 0.296 51.772 52.037 -0.935 0.000 0.697 289 A CB 0.032 18.479 19.000 -0.921 0.000 0.827 289 A HN 0.129 nan 8.150 nan 0.000 0.457 290 L N 1.794 122.983 121.223 -0.056 0.000 2.305 290 L HA 0.367 4.706 4.340 -0.001 0.000 0.284 290 L C -0.439 176.564 176.870 0.222 0.000 1.013 290 L CA -1.250 53.669 54.840 0.132 0.000 0.819 290 L CB 1.331 43.493 42.059 0.173 0.000 1.227 290 L HN 0.535 nan 8.230 nan 0.000 0.417 291 H N 2.428 121.623 119.070 0.207 0.000 2.815 291 H HA 0.159 4.715 4.556 -0.000 0.000 0.350 291 H C -2.162 173.096 175.328 -0.117 0.000 1.080 291 H CA -2.175 53.843 56.048 -0.050 0.000 1.433 291 H CB 0.051 29.703 29.762 -0.182 0.000 1.432 291 H HN 0.310 nan 8.280 nan 0.000 0.592 292 P HA -0.126 nan 4.420 nan 0.000 0.219 292 P C 0.084 177.371 177.300 -0.021 0.000 1.150 292 P CA 0.984 63.828 63.100 -0.426 0.000 0.814 292 P CB 0.156 31.471 31.700 -0.642 0.000 0.787 293 E N 1.466 121.681 120.200 0.025 0.000 2.404 293 E HA 0.160 4.510 4.350 -0.001 0.000 0.261 293 E C -2.457 174.250 176.600 0.178 0.000 1.074 293 E CA -2.286 54.127 56.400 0.022 0.000 0.917 293 E CB -0.729 28.890 29.700 -0.135 0.000 0.965 293 E HN 0.113 nan 8.360 nan 0.000 0.433 294 P HA 0.074 nan 4.420 nan 0.000 0.272 294 P C -1.065 176.396 177.300 0.268 0.000 1.230 294 P CA 0.105 63.337 63.100 0.220 0.000 0.788 294 P CB 0.118 31.900 31.700 0.137 0.000 0.949 295 Y N 0.541 120.975 120.300 0.224 0.000 2.387 295 Y HA 0.362 4.911 4.550 -0.001 0.000 0.330 295 Y C 1.062 177.118 175.900 0.259 0.000 1.133 295 Y CA 0.003 58.234 58.100 0.219 0.000 1.152 295 Y CB 0.919 39.426 38.460 0.078 0.000 1.215 295 Y HN 0.396 nan 8.280 nan 0.000 0.466 296 N N 1.315 120.224 118.700 0.349 0.000 2.432 296 N HA 0.497 5.237 4.740 -0.001 0.000 0.292 296 N C -2.670 173.000 175.510 0.266 0.000 1.193 296 N CA -2.091 51.138 53.050 0.298 0.000 0.878 296 N CB 1.651 40.236 38.487 0.162 0.000 1.252 296 N HN 0.092 nan 8.380 nan 0.000 0.520 297 P HA -0.166 nan 4.420 nan 0.000 0.215 297 P C 0.543 177.884 177.300 0.068 0.000 1.157 297 P CA 1.565 64.753 63.100 0.146 0.000 0.874 297 P CB 0.156 31.964 31.700 0.180 0.000 0.790 298 E N -0.314 119.933 120.200 0.078 0.000 2.085 298 E HA -0.207 4.143 4.350 -0.001 0.000 0.194 298 E C 2.085 178.715 176.600 0.050 0.000 0.994 298 E CA 1.221 57.651 56.400 0.051 0.000 0.801 298 E CB -0.843 28.885 29.700 0.046 0.000 0.743 298 E HN 0.471 nan 8.360 nan 0.000 0.453 299 E N 0.399 120.649 120.200 0.084 0.000 2.072 299 E HA -0.178 4.171 4.350 -0.001 0.000 0.191 299 E C 2.003 178.663 176.600 0.101 0.000 0.985 299 E CA 0.929 57.394 56.400 0.108 0.000 0.801 299 E CB -0.120 29.675 29.700 0.159 0.000 0.750 299 E HN 0.252 nan 8.360 nan 0.000 0.452 300 I N 0.653 121.265 120.570 0.070 0.000 2.226 300 I HA -0.350 3.820 4.170 -0.001 0.000 0.245 300 I C 2.560 178.613 176.117 -0.106 0.000 1.100 300 I CA 0.830 62.094 61.300 -0.061 0.000 1.374 300 I CB -0.226 37.658 38.000 -0.193 0.000 1.057 300 I HN 0.357 nan 8.210 nan 0.000 0.413 301 C N 0.361 119.623 119.300 -0.064 0.000 2.413 301 C HA -0.139 4.321 4.460 -0.001 0.000 0.276 301 C C 2.895 177.859 174.990 -0.043 0.000 1.248 301 C CA 0.736 59.721 59.018 -0.054 0.000 1.742 301 C CB -1.216 26.513 27.740 -0.018 0.000 2.017 301 C HN 0.408 nan 8.230 nan 0.000 0.481 302 R N -0.321 120.170 120.500 -0.016 0.000 2.075 302 R HA -0.131 4.209 4.340 -0.001 0.000 0.232 302 R C 2.147 178.431 176.300 -0.027 0.000 1.126 302 R CA 1.686 57.783 56.100 -0.005 0.000 0.963 302 R CB -0.747 29.564 30.300 0.018 0.000 0.858 302 R HN 0.553 nan 8.270 nan 0.000 0.435 303 C N 0.588 119.861 119.300 -0.045 0.000 2.446 303 C HA -0.031 4.429 4.460 -0.001 0.000 0.277 303 C C 2.592 177.456 174.990 -0.211 0.000 1.275 303 C CA 0.541 59.509 59.018 -0.083 0.000 1.727 303 C CB -0.793 26.905 27.740 -0.071 0.000 2.010 303 C HN 0.416 nan 8.230 nan 0.000 0.486 304 L N 0.229 121.265 121.223 -0.312 0.000 2.418 304 L HA 0.164 4.504 4.340 -0.001 0.000 0.218 304 L C 1.784 178.506 176.870 -0.247 0.000 1.125 304 L CA 1.099 55.585 54.840 -0.590 0.000 0.835 304 L CB -0.733 40.872 42.059 -0.756 0.000 0.953 304 L HN 0.553 nan 8.230 nan 0.000 0.454 305 G N 1.832 110.586 108.800 -0.076 0.000 2.212 305 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.255 305 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.255 305 G C 0.048 175.002 174.900 0.091 0.000 1.062 305 G CA 0.565 45.691 45.100 0.044 0.000 0.815 305 G HN 0.454 nan 8.290 nan 0.000 0.497 306 I N -2.881 117.716 120.570 0.046 0.000 3.294 306 I HA 0.932 5.101 4.170 -0.001 0.000 0.311 306 I C 0.306 176.444 176.117 0.035 0.000 1.111 306 I CA -0.701 60.642 61.300 0.073 0.000 0.976 306 I CB 2.069 40.128 38.000 0.098 0.000 1.260 306 I HN 0.433 nan 8.210 nan 0.000 0.474 307 S N 1.650 117.373 115.700 0.039 0.000 2.617 307 S HA 0.414 4.884 4.470 -0.001 0.000 0.283 307 S C 0.808 175.420 174.600 0.020 0.000 1.189 307 S CA -0.800 57.416 58.200 0.027 0.000 1.036 307 S CB 1.714 64.932 63.200 0.029 0.000 1.014 307 S HN 0.796 nan 8.310 nan 0.000 0.522 308 L N 1.211 122.445 121.223 0.019 0.000 2.079 308 L HA -0.136 4.204 4.340 -0.001 0.000 0.210 308 L C 2.812 179.695 176.870 0.021 0.000 1.081 308 L CA 1.747 56.598 54.840 0.019 0.000 0.752 308 L CB -0.412 41.662 42.059 0.025 0.000 0.896 308 L HN 0.887 nan 8.230 nan 0.000 0.433 309 E N -0.414 119.799 120.200 0.022 0.000 2.047 309 E HA -0.225 4.125 4.350 -0.001 0.000 0.191 309 E C 2.013 178.627 176.600 0.023 0.000 0.987 309 E CA 1.207 57.620 56.400 0.022 0.000 0.799 309 E CB 0.114 29.827 29.700 0.021 0.000 0.752 309 E HN 0.511 nan 8.360 nan 0.000 0.449 310 E N 0.510 120.726 120.200 0.027 0.000 2.049 310 E HA -0.250 4.100 4.350 -0.001 0.000 0.198 310 E C 2.220 178.837 176.600 0.027 0.000 1.007 310 E CA 1.088 57.508 56.400 0.033 0.000 0.809 310 E CB -0.252 29.478 29.700 0.049 0.000 0.749 310 E HN 0.152 nan 8.360 nan 0.000 0.450 311 L N 1.605 122.837 121.223 0.015 0.000 1.990 311 L HA -0.223 4.116 4.340 -0.001 0.000 0.213 311 L C 2.274 179.146 176.870 0.004 0.000 1.072 311 L CA 1.898 56.733 54.840 -0.007 0.000 0.755 311 L CB -0.325 41.714 42.059 -0.034 0.000 0.889 311 L HN -0.075 nan 8.230 nan 0.000 0.432 312 R N -1.237 119.274 120.500 0.019 0.000 2.096 312 R HA -0.098 4.241 4.340 -0.001 0.000 0.235 312 R C 2.025 178.340 176.300 0.026 0.000 1.127 312 R CA 1.879 57.997 56.100 0.030 0.000 0.968 312 R CB -0.490 29.830 30.300 0.034 0.000 0.861 312 R HN 0.708 nan 8.270 nan 0.000 0.440 313 T N -3.345 111.222 114.554 0.022 0.000 3.000 313 T HA 0.099 4.449 4.350 -0.001 0.000 0.248 313 T C 1.674 176.386 174.700 0.020 0.000 1.034 313 T CA -0.068 62.045 62.100 0.021 0.000 1.060 313 T CB 0.401 69.280 68.868 0.019 0.000 0.983 313 T HN 0.082 nan 8.240 nan 0.000 0.482 314 Q N -0.087 119.726 119.800 0.022 0.000 2.391 314 Q HA 0.399 4.738 4.340 -0.001 0.000 0.211 314 Q C 1.724 177.738 176.000 0.024 0.000 0.908 314 Q CA 0.433 56.250 55.803 0.024 0.000 0.920 314 Q CB 0.477 29.233 28.738 0.029 0.000 1.056 314 Q HN 0.547 nan 8.270 nan 0.000 0.523 315 I N -0.175 120.406 120.570 0.019 0.000 3.136 315 I HA 0.038 4.208 4.170 -0.001 0.000 0.262 315 I C 0.662 176.784 176.117 0.007 0.000 1.132 315 I CA 0.132 61.438 61.300 0.011 0.000 1.450 315 I CB 0.438 38.434 38.000 -0.006 0.000 1.315 315 I HN -0.019 nan 8.210 nan 0.000 0.460 316 L N 1.484 122.714 121.223 0.012 0.000 2.418 316 L HA 0.209 4.549 4.340 -0.001 0.000 0.265 316 L C 0.674 177.561 176.870 0.029 0.000 1.143 316 L CA -0.338 54.520 54.840 0.031 0.000 0.809 316 L CB 0.851 42.949 42.059 0.064 0.000 1.124 316 L HN 0.254 nan 8.230 nan 0.000 0.456 317 S N 1.192 116.910 115.700 0.030 0.000 2.601 317 S HA 0.293 4.762 4.470 -0.001 0.000 0.271 317 S C -1.782 172.831 174.600 0.022 0.000 1.305 317 S CA -1.210 57.004 58.200 0.022 0.000 1.022 317 S CB 1.313 64.523 63.200 0.018 0.000 0.940 317 S HN 0.413 nan 8.310 nan 0.000 0.525 318 P HA -0.235 nan 4.420 nan 0.000 0.217 318 P C 1.140 178.443 177.300 0.005 0.000 1.162 318 P CA 1.780 64.887 63.100 0.011 0.000 0.901 318 P CB -0.420 31.285 31.700 0.008 0.000 0.793 319 N N -0.654 118.046 118.700 -0.000 0.000 2.609 319 N HA -0.077 4.663 4.740 -0.001 0.000 0.190 319 N C 0.662 176.161 175.510 -0.020 0.000 1.157 319 N CA 1.567 54.608 53.050 -0.015 0.000 0.918 319 N CB -1.297 37.177 38.487 -0.023 0.000 0.978 319 N HN 0.286 nan 8.380 nan 0.000 0.448 320 T N -4.355 110.201 114.554 0.003 0.000 3.058 320 T HA 0.085 4.435 4.350 -0.001 0.000 0.278 320 T C 1.177 175.907 174.700 0.050 0.000 0.974 320 T CA -0.369 61.739 62.100 0.014 0.000 0.893 320 T CB -0.229 68.664 68.868 0.043 0.000 1.138 320 T HN 0.230 nan 8.240 nan 0.000 0.529 321 Q N 1.389 121.213 119.800 0.040 0.000 2.368 321 Q HA -0.038 4.301 4.340 -0.001 0.000 0.210 321 Q C 0.591 176.627 176.000 0.059 0.000 0.982 321 Q CA 1.178 57.016 55.803 0.058 0.000 0.884 321 Q CB -0.335 28.427 28.738 0.039 0.000 0.933 321 Q HN 0.393 nan 8.270 nan 0.000 0.460 322 D N 0.576 120.991 120.400 0.024 0.000 2.424 322 D HA 0.133 4.773 4.640 -0.001 0.000 0.220 322 D C -0.479 175.806 176.300 -0.026 0.000 1.150 322 D CA -0.076 53.929 54.000 0.009 0.000 0.831 322 D CB 0.683 41.477 40.800 -0.010 0.000 0.981 322 D HN -0.011 nan 8.370 nan 0.000 0.500 323 V N 1.560 121.448 119.914 -0.042 0.000 2.655 323 V HA 0.044 4.163 4.120 -0.001 0.000 0.300 323 V C 1.589 177.537 176.094 -0.244 0.000 1.044 323 V CA 0.301 62.462 62.300 -0.231 0.000 1.095 323 V CB 1.617 33.177 31.823 -0.438 0.000 0.952 323 V HN 0.118 nan 8.190 nan 0.000 0.485 324 L N 4.949 126.011 121.223 -0.267 0.000 2.781 324 L HA 0.434 4.774 4.340 -0.001 0.000 0.245 324 L C 0.109 176.891 176.870 -0.148 0.000 1.118 324 L CA 0.346 55.118 54.840 -0.112 0.000 0.918 324 L CB 0.401 42.430 42.059 -0.050 0.000 1.246 324 L HN 0.469 nan 8.230 nan 0.000 0.526 325 I N -0.059 120.290 120.570 -0.368 0.000 2.411 325 I HA 0.273 4.443 4.170 -0.001 0.000 0.284 325 I C -1.161 174.695 176.117 -0.435 0.000 1.012 325 I CA -0.244 60.916 61.300 -0.233 0.000 1.119 325 I CB 1.518 39.436 38.000 -0.136 0.000 1.261 325 I HN -0.157 nan 8.210 nan 0.000 0.448 326 F N 5.415 125.404 119.950 0.065 0.000 2.403 326 F HA 0.395 4.922 4.527 0.000 0.000 0.355 326 F C 0.671 176.526 175.800 0.092 0.000 1.119 326 F CA -0.799 57.231 58.000 0.050 0.000 1.007 326 F CB 1.308 40.324 39.000 0.028 0.000 1.194 326 F HN 0.235 nan 8.300 nan 0.000 0.443 327 K N 5.662 126.164 120.400 0.170 0.000 2.502 327 K HA 0.218 4.538 4.320 -0.001 0.000 0.244 327 K C 1.039 177.732 176.600 0.155 0.000 1.249 327 K CA -0.024 56.358 56.287 0.158 0.000 1.193 327 K CB 0.160 32.704 32.500 0.073 0.000 1.674 327 K HN 0.766 nan 8.250 nan 0.000 0.302 328 L N -0.030 121.299 121.223 0.176 0.000 1.989 328 L HA -0.267 4.073 4.340 -0.001 0.000 0.211 328 L C 2.292 179.229 176.870 0.111 0.000 1.071 328 L CA 1.670 56.545 54.840 0.059 0.000 0.749 328 L CB -0.812 41.131 42.059 -0.193 0.000 0.890 328 L HN 0.452 nan 8.230 nan 0.000 0.431 329 Y N 1.327 121.676 120.300 0.082 0.000 2.097 329 Y HA -0.342 4.208 4.550 -0.001 0.000 0.282 329 Y C 2.790 178.746 175.900 0.093 0.000 1.152 329 Y CA 1.949 60.103 58.100 0.089 0.000 1.136 329 Y CB -0.213 38.319 38.460 0.120 0.000 0.975 329 Y HN 0.130 nan 8.280 nan 0.000 0.498 330 Q N 0.133 120.041 119.800 0.180 0.000 2.084 330 Q HA -0.173 4.166 4.340 -0.001 0.000 0.202 330 Q C 2.148 178.192 176.000 0.073 0.000 0.978 330 Q CA 1.800 57.654 55.803 0.084 0.000 0.844 330 Q CB -0.227 28.602 28.738 0.152 0.000 0.898 330 Q HN 0.245 nan 8.270 nan 0.000 0.426 331 R N 0.325 120.877 120.500 0.087 0.000 2.066 331 R HA 0.034 4.373 4.340 -0.001 0.000 0.232 331 R C 2.127 178.522 176.300 0.158 0.000 1.131 331 R CA 1.464 57.682 56.100 0.198 0.000 0.955 331 R CB -1.335 29.020 30.300 0.091 0.000 0.851 331 R HN 0.338 nan 8.270 nan 0.000 0.432 332 A N 1.368 124.194 122.820 0.010 0.000 1.902 332 A HA -0.164 4.156 4.320 -0.001 0.000 0.217 332 A C 1.876 179.396 177.584 -0.106 0.000 1.181 332 A CA 1.491 53.466 52.037 -0.103 0.000 0.623 332 A CB -0.304 18.688 19.000 -0.013 0.000 0.818 332 A HN 0.079 nan 8.150 nan 0.000 0.443 333 K N -0.738 119.589 120.400 -0.122 0.000 2.057 333 K HA -0.188 4.132 4.320 -0.001 0.000 0.207 333 K C 1.932 178.492 176.600 -0.068 0.000 1.049 333 K CA 1.907 58.118 56.287 -0.127 0.000 0.931 333 K CB -0.754 31.571 32.500 -0.292 0.000 0.714 333 K HN 0.808 nan 8.250 nan 0.000 0.440 334 H N 1.195 120.222 119.070 -0.072 0.000 2.319 334 H HA -0.078 4.478 4.556 -0.000 0.000 0.299 334 H C 1.903 177.128 175.328 -0.171 0.000 1.092 334 H CA 1.986 57.986 56.048 -0.080 0.000 1.302 334 H CB -0.248 29.520 29.762 0.011 0.000 1.373 334 H HN -0.120 nan 8.280 nan 0.000 0.497 335 V N 0.217 119.903 119.914 -0.379 0.000 2.255 335 V HA -0.323 3.797 4.120 -0.001 0.000 0.247 335 V C 2.218 178.005 176.094 -0.511 0.000 1.051 335 V CA 2.239 64.236 62.300 -0.506 0.000 1.018 335 V CB -0.886 30.714 31.823 -0.371 0.000 0.641 335 V HN 0.470 nan 8.190 nan 0.000 0.445 336 Y N 1.356 121.486 120.300 -0.283 0.000 2.181 336 Y HA -0.211 4.339 4.550 0.000 0.000 0.288 336 Y C 2.930 178.626 175.900 -0.339 0.000 1.146 336 Y CA 1.471 59.374 58.100 -0.328 0.000 1.164 336 Y CB -1.108 37.244 38.460 -0.179 0.000 0.982 336 Y HN 0.434 nan 8.280 nan 0.000 0.515 337 S N -0.327 115.285 115.700 -0.146 0.000 2.383 337 S HA -0.213 4.257 4.470 -0.001 0.000 0.227 337 S C 1.930 176.389 174.600 -0.235 0.000 1.026 337 S CA 1.351 59.455 58.200 -0.160 0.000 0.981 337 S CB -0.394 62.736 63.200 -0.116 0.000 0.818 337 S HN 0.453 nan 8.310 nan 0.000 0.472 338 E N 2.144 122.101 120.200 -0.404 0.000 2.107 338 E HA 0.106 4.456 4.350 -0.001 0.000 0.191 338 E C 2.063 178.479 176.600 -0.308 0.000 0.982 338 E CA 1.173 57.335 56.400 -0.397 0.000 0.809 338 E CB -0.783 28.509 29.700 -0.679 0.000 0.756 338 E HN 0.602 nan 8.360 nan 0.000 0.459 339 A N 0.756 123.336 122.820 -0.399 0.000 1.933 339 A HA -0.085 4.235 4.320 -0.001 0.000 0.218 339 A C 2.400 179.839 177.584 -0.241 0.000 1.175 339 A CA 1.925 53.723 52.037 -0.398 0.000 0.628 339 A CB -0.918 17.510 19.000 -0.953 0.000 0.814 339 A HN 0.394 nan 8.150 nan 0.000 0.444 340 A N -0.299 122.396 122.820 -0.209 0.000 1.930 340 A HA -0.119 4.201 4.320 -0.001 0.000 0.217 340 A C 2.221 179.769 177.584 -0.061 0.000 1.175 340 A CA 1.345 53.315 52.037 -0.112 0.000 0.627 340 A CB -0.430 18.514 19.000 -0.093 0.000 0.815 340 A HN 0.539 nan 8.150 nan 0.000 0.443 341 R N -0.592 119.867 120.500 -0.069 0.000 2.096 341 R HA -0.092 4.247 4.340 -0.001 0.000 0.235 341 R C 1.992 178.315 176.300 0.038 0.000 1.127 341 R CA 1.432 57.528 56.100 -0.007 0.000 0.968 341 R CB -0.542 29.750 30.300 -0.014 0.000 0.861 341 R HN 0.402 nan 8.270 nan 0.000 0.440 342 V N 1.594 121.497 119.914 -0.018 0.000 2.343 342 V HA -0.236 3.884 4.120 -0.001 0.000 0.247 342 V C 2.299 178.430 176.094 0.062 0.000 1.051 342 V CA 1.663 63.962 62.300 -0.001 0.000 1.036 342 V CB -0.426 31.368 31.823 -0.049 0.000 0.654 342 V HN 0.281 nan 8.190 nan 0.000 0.451 343 L N -0.458 120.781 121.223 0.027 0.000 2.046 343 L HA -0.231 4.108 4.340 -0.001 0.000 0.208 343 L C 2.641 179.546 176.870 0.059 0.000 1.077 343 L CA 1.833 56.696 54.840 0.038 0.000 0.747 343 L CB -0.685 41.384 42.059 0.016 0.000 0.896 343 L HN 0.343 nan 8.230 nan 0.000 0.432 344 Q N 0.213 120.045 119.800 0.055 0.000 2.084 344 Q HA -0.246 4.094 4.340 -0.001 0.000 0.202 344 Q C 2.083 178.132 176.000 0.082 0.000 0.978 344 Q CA 1.821 57.653 55.803 0.049 0.000 0.844 344 Q CB -0.472 28.286 28.738 0.032 0.000 0.898 344 Q HN 0.416 nan 8.270 nan 0.000 0.426 345 F N 0.721 120.663 119.950 -0.013 0.000 2.126 345 F HA -0.226 4.301 4.527 -0.001 0.000 0.299 345 F C 2.180 177.979 175.800 -0.001 0.000 1.096 345 F CA 1.989 59.989 58.000 -0.001 0.000 1.255 345 F CB -0.092 38.909 39.000 0.002 0.000 0.997 345 F HN 0.087 nan 8.300 nan 0.000 0.479 346 K N 0.618 121.202 120.400 0.307 0.000 2.026 346 K HA -0.268 4.052 4.320 -0.001 0.000 0.208 346 K C 2.288 178.929 176.600 0.068 0.000 1.048 346 K CA 1.794 58.194 56.287 0.188 0.000 0.929 346 K CB -0.270 32.300 32.500 0.117 0.000 0.713 346 K HN 0.214 nan 8.250 nan 0.000 0.439 347 K N 0.806 121.230 120.400 0.040 0.000 2.032 347 K HA -0.153 4.167 4.320 -0.001 0.000 0.209 347 K C 2.010 178.593 176.600 -0.029 0.000 1.048 347 K CA 1.849 58.139 56.287 0.004 0.000 0.927 347 K CB -0.160 32.340 32.500 0.001 0.000 0.712 347 K HN 0.175 nan 8.250 nan 0.000 0.441 348 I N 0.607 121.137 120.570 -0.067 0.000 2.208 348 I HA -0.374 3.796 4.170 -0.001 0.000 0.245 348 I C 2.406 178.447 176.117 -0.127 0.000 1.097 348 I CA 1.035 62.263 61.300 -0.121 0.000 1.363 348 I CB -0.332 37.550 38.000 -0.198 0.000 1.051 348 I HN 0.364 nan 8.210 nan 0.000 0.413 349 C N 0.590 119.810 119.300 -0.132 0.000 2.422 349 C HA -0.136 4.324 4.460 -0.001 0.000 0.279 349 C C 2.649 177.621 174.990 -0.029 0.000 1.305 349 C CA 0.881 59.852 59.018 -0.078 0.000 1.757 349 C CB -1.082 26.665 27.740 0.012 0.000 1.962 349 C HN 0.498 nan 8.230 nan 0.000 0.499 350 E N 0.336 120.526 120.200 -0.017 0.000 2.076 350 E HA -0.141 4.209 4.350 -0.001 0.000 0.190 350 E C 2.038 178.628 176.600 -0.016 0.000 0.979 350 E CA 0.862 57.257 56.400 -0.008 0.000 0.807 350 E CB -0.124 29.575 29.700 -0.000 0.000 0.761 350 E HN 0.665 nan 8.360 nan 0.000 0.454 351 E N 0.229 120.414 120.200 -0.026 0.000 2.216 351 E HA 0.036 4.386 4.350 -0.001 0.000 0.192 351 E C 0.479 177.060 176.600 -0.032 0.000 0.988 351 E CA 0.377 56.761 56.400 -0.027 0.000 0.834 351 E CB 0.112 29.795 29.700 -0.029 0.000 0.772 351 E HN 0.200 nan 8.360 nan 0.000 0.479 352 A N 2.465 125.259 122.820 -0.043 0.000 2.415 352 A HA -0.155 4.165 4.320 -0.001 0.000 0.292 352 A C -1.987 175.570 177.584 -0.044 0.000 1.452 352 A CA 0.137 52.145 52.037 -0.047 0.000 0.750 352 A CB -1.736 17.244 19.000 -0.034 0.000 1.099 352 A HN 0.164 nan 8.150 nan 0.000 0.391 353 P HA 0.094 nan 4.420 nan 0.000 0.272 353 P C 1.097 178.371 177.300 -0.044 0.000 1.254 353 P CA 0.267 63.342 63.100 -0.043 0.000 0.795 353 P CB 0.365 32.037 31.700 -0.047 0.000 1.022 354 E N 1.266 121.444 120.200 -0.037 0.000 2.077 354 E HA -0.224 4.126 4.350 -0.001 0.000 0.193 354 E C 0.800 177.375 176.600 -0.042 0.000 0.989 354 E CA 1.297 57.676 56.400 -0.035 0.000 0.800 354 E CB -0.602 29.081 29.700 -0.028 0.000 0.746 354 E HN 0.392 nan 8.360 nan 0.000 0.452 355 N N 2.037 120.711 118.700 -0.044 0.000 2.362 355 N HA -0.062 4.677 4.740 -0.001 0.000 0.211 355 N C 1.745 177.216 175.510 -0.065 0.000 1.170 355 N CA 0.668 53.688 53.050 -0.048 0.000 0.828 355 N CB -0.349 38.113 38.487 -0.042 0.000 1.034 355 N HN 0.536 nan 8.380 nan 0.000 0.475 356 M N -1.061 118.495 119.600 -0.073 0.000 2.088 356 M HA -0.205 4.275 4.480 -0.001 0.000 0.256 356 M C 1.094 177.321 176.300 -0.122 0.000 1.071 356 M CA 1.854 57.092 55.300 -0.103 0.000 1.097 356 M CB -0.802 31.733 32.600 -0.109 0.000 1.315 356 M HN -0.069 nan 8.290 nan 0.000 0.406 357 V N 0.977 120.829 119.914 -0.103 0.000 2.324 357 V HA -0.309 3.811 4.120 -0.001 0.000 0.250 357 V C 2.745 178.781 176.094 -0.097 0.000 1.060 357 V CA 2.571 64.805 62.300 -0.110 0.000 1.042 357 V CB -1.152 30.608 31.823 -0.106 0.000 0.650 357 V HN 0.703 nan 8.190 nan 0.000 0.450 358 Q N -0.420 119.333 119.800 -0.078 0.000 2.050 358 Q HA -0.196 4.144 4.340 -0.001 0.000 0.202 358 Q C 2.217 178.182 176.000 -0.057 0.000 0.980 358 Q CA 1.927 57.694 55.803 -0.059 0.000 0.840 358 Q CB -0.170 28.540 28.738 -0.047 0.000 0.898 358 Q HN 0.633 nan 8.270 nan 0.000 0.424 359 L N 0.119 121.297 121.223 -0.074 0.000 2.017 359 L HA -0.203 4.137 4.340 -0.001 0.000 0.208 359 L C 2.443 179.260 176.870 -0.089 0.000 1.073 359 L CA 0.904 55.699 54.840 -0.075 0.000 0.745 359 L CB -0.505 41.499 42.059 -0.092 0.000 0.894 359 L HN 0.317 nan 8.230 nan 0.000 0.432 360 L N -0.291 120.835 121.223 -0.161 0.000 2.042 360 L HA -0.154 4.185 4.340 -0.001 0.000 0.210 360 L C 2.720 179.608 176.870 0.030 0.000 1.076 360 L CA 1.429 56.143 54.840 -0.210 0.000 0.749 360 L CB -1.274 40.549 42.059 -0.393 0.000 0.893 360 L HN 0.342 nan 8.230 nan 0.000 0.432 361 G N -0.441 108.357 108.800 -0.002 0.000 2.440 361 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.218 361 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.218 361 G C 1.440 176.367 174.900 0.045 0.000 1.154 361 G CA 0.653 45.768 45.100 0.025 0.000 0.767 361 G HN 0.402 nan 8.290 nan 0.000 0.552 362 E N -0.111 120.103 120.200 0.024 0.000 2.110 362 E HA -0.048 4.302 4.350 -0.001 0.000 0.193 362 E C 2.600 179.235 176.600 0.059 0.000 0.988 362 E CA 0.485 56.903 56.400 0.030 0.000 0.804 362 E CB -0.172 29.535 29.700 0.012 0.000 0.745 362 E HN 0.401 nan 8.360 nan 0.000 0.458 363 L N 0.098 121.370 121.223 0.083 0.000 2.046 363 L HA -0.216 4.123 4.340 -0.001 0.000 0.208 363 L C 2.540 179.494 176.870 0.141 0.000 1.077 363 L CA 1.097 56.011 54.840 0.123 0.000 0.747 363 L CB -0.317 41.862 42.059 0.199 0.000 0.896 363 L HN 0.237 nan 8.230 nan 0.000 0.432 364 M N -0.552 119.153 119.600 0.174 0.000 2.117 364 M HA -0.180 4.300 4.480 -0.001 0.000 0.262 364 M C 1.975 178.346 176.300 0.119 0.000 1.065 364 M CA 1.534 56.922 55.300 0.147 0.000 1.114 364 M CB -0.475 32.224 32.600 0.164 0.000 1.361 364 M HN 0.265 nan 8.290 nan 0.000 0.408 365 N N -0.002 118.756 118.700 0.097 0.000 2.188 365 N HA -0.136 4.604 4.740 -0.001 0.000 0.184 365 N C 1.744 177.320 175.510 0.109 0.000 1.018 365 N CA 1.043 54.151 53.050 0.097 0.000 0.858 365 N CB -0.387 38.136 38.487 0.059 0.000 0.989 365 N HN 0.399 nan 8.380 nan 0.000 0.426 366 Q N 0.564 120.413 119.800 0.082 0.000 2.124 366 Q HA -0.062 4.277 4.340 -0.001 0.000 0.202 366 Q C 2.074 178.116 176.000 0.069 0.000 0.977 366 Q CA 0.798 56.640 55.803 0.065 0.000 0.850 366 Q CB -0.511 28.255 28.738 0.046 0.000 0.901 366 Q HN 0.338 nan 8.270 nan 0.000 0.429 367 S N -0.159 115.589 115.700 0.079 0.000 2.348 367 S HA -0.228 4.242 4.470 -0.001 0.000 0.221 367 S C 1.911 176.560 174.600 0.081 0.000 1.033 367 S CA 1.701 59.947 58.200 0.076 0.000 1.010 367 S CB -0.286 62.952 63.200 0.064 0.000 0.891 367 S HN 0.546 nan 8.310 nan 0.000 0.442 368 H N 0.872 119.959 119.070 0.028 0.000 2.319 368 H HA -0.006 4.550 4.556 -0.000 0.000 0.299 368 H C 2.137 177.469 175.328 0.006 0.000 1.092 368 H CA 2.513 58.566 56.048 0.009 0.000 1.302 368 H CB -0.336 29.431 29.762 0.007 0.000 1.373 368 H HN 0.408 nan 8.280 nan 0.000 0.497 369 M N -1.034 118.579 119.600 0.021 0.000 2.159 369 M HA -0.178 4.301 4.480 -0.001 0.000 0.263 369 M C 2.637 178.907 176.300 -0.050 0.000 1.063 369 M CA 1.598 56.885 55.300 -0.022 0.000 1.110 369 M CB -0.218 32.413 32.600 0.051 0.000 1.374 369 M HN 0.285 nan 8.290 nan 0.000 0.411 370 S N -0.200 115.505 115.700 0.009 0.000 2.368 370 S HA -0.154 4.316 4.470 -0.001 0.000 0.224 370 S C 1.983 176.568 174.600 -0.024 0.000 1.029 370 S CA 1.263 59.514 58.200 0.087 0.000 0.988 370 S CB -0.269 63.072 63.200 0.235 0.000 0.838 370 S HN 0.580 nan 8.310 nan 0.000 0.462 371 C N 1.244 120.449 119.300 -0.158 0.000 2.432 371 C HA 0.020 4.479 4.460 -0.001 0.000 0.277 371 C C 2.850 177.648 174.990 -0.320 0.000 1.249 371 C CA 1.071 59.876 59.018 -0.355 0.000 1.725 371 C CB -1.379 26.170 27.740 -0.319 0.000 2.028 371 C HN 0.651 nan 8.230 nan 0.000 0.477 372 R N 0.772 121.054 120.500 -0.363 0.000 2.073 372 R HA -0.129 4.210 4.340 -0.001 0.000 0.234 372 R C 1.510 177.724 176.300 -0.144 0.000 1.134 372 R CA 2.069 57.996 56.100 -0.287 0.000 0.952 372 R CB -0.270 29.848 30.300 -0.303 0.000 0.850 372 R HN 0.498 nan 8.270 nan 0.000 0.433 373 D N -0.724 119.620 120.400 -0.094 0.000 2.262 373 D HA -0.036 4.603 4.640 -0.001 0.000 0.212 373 D C 1.882 178.181 176.300 -0.002 0.000 0.964 373 D CA 0.901 54.883 54.000 -0.030 0.000 0.875 373 D CB 0.192 40.992 40.800 -0.001 0.000 0.996 373 D HN 0.228 nan 8.370 nan 0.000 0.497 374 M N -0.984 118.619 119.600 0.006 0.000 2.691 374 M HA 0.034 4.514 4.480 -0.001 0.000 0.261 374 M C 1.627 177.950 176.300 0.037 0.000 1.227 374 M CA 0.621 55.954 55.300 0.054 0.000 1.197 374 M CB -0.552 32.113 32.600 0.108 0.000 1.294 374 M HN -0.047 nan 8.290 nan 0.000 0.508 375 Y N 1.921 122.061 120.300 -0.267 0.000 2.523 375 Y HA 0.081 4.631 4.550 -0.001 0.000 0.279 375 Y C 0.063 175.796 175.900 -0.278 0.000 1.139 375 Y CA 0.251 58.131 58.100 -0.368 0.000 1.296 375 Y CB 0.073 38.061 38.460 -0.787 0.000 1.045 375 Y HN 0.358 nan 8.280 nan 0.000 0.538 376 E N -0.706 119.404 120.200 -0.150 0.000 2.210 376 E HA -0.285 4.065 4.350 -0.001 0.000 0.201 376 E C 0.347 176.818 176.600 -0.216 0.000 1.339 376 E CA 0.525 56.847 56.400 -0.129 0.000 0.699 376 E CB -1.697 27.980 29.700 -0.038 0.000 1.126 376 E HN 0.559 nan 8.360 nan 0.000 0.355 377 C N -1.603 117.411 119.300 -0.477 0.000 3.098 377 C HA 0.581 5.040 4.460 -0.001 0.000 0.265 377 C C 0.966 175.429 174.990 -0.877 0.000 1.572 377 C CA -0.153 58.169 59.018 -1.160 0.000 1.788 377 C CB -0.082 26.838 27.740 -1.366 0.000 2.982 377 C HN 0.409 nan 8.230 nan 0.000 0.532 378 S N 0.065 115.499 115.700 -0.443 0.000 2.677 378 S HA 0.895 5.364 4.470 -0.001 0.000 0.290 378 S C 0.052 174.590 174.600 -0.103 0.000 1.124 378 S CA 0.466 58.520 58.200 -0.242 0.000 1.017 378 S CB 1.249 64.338 63.200 -0.186 0.000 1.215 378 S HN 1.428 nan 8.310 nan 0.000 0.524 379 C N -0.876 118.428 119.300 0.007 0.000 3.311 379 C HA 0.640 5.100 4.460 -0.001 0.000 0.325 379 C C -2.283 172.752 174.990 0.075 0.000 1.352 379 C CA -1.273 57.783 59.018 0.063 0.000 1.308 379 C CB 0.388 28.189 27.740 0.102 0.000 1.619 379 C HN 0.567 nan 8.230 nan 0.000 0.469 380 P HA -0.094 nan 4.420 nan 0.000 0.215 380 P C 1.188 178.542 177.300 0.089 0.000 1.157 380 P CA 2.061 65.206 63.100 0.075 0.000 0.874 380 P CB 0.158 31.897 31.700 0.064 0.000 0.790 381 E N -0.645 119.618 120.200 0.106 0.000 2.110 381 E HA -0.129 4.220 4.350 -0.001 0.000 0.193 381 E C 2.091 178.755 176.600 0.106 0.000 0.988 381 E CA 0.892 57.384 56.400 0.154 0.000 0.804 381 E CB -1.066 28.742 29.700 0.181 0.000 0.745 381 E HN 0.201 nan 8.360 nan 0.000 0.458 382 L N 0.839 122.108 121.223 0.077 0.000 2.027 382 L HA -0.199 4.141 4.340 -0.001 0.000 0.206 382 L C 1.746 178.631 176.870 0.024 0.000 1.074 382 L CA 1.161 56.026 54.840 0.042 0.000 0.745 382 L CB -0.338 41.781 42.059 0.100 0.000 0.898 382 L HN 0.133 nan 8.230 nan 0.000 0.433 383 D N -0.445 120.010 120.400 0.092 0.000 2.123 383 D HA -0.263 4.376 4.640 -0.001 0.000 0.196 383 D C 2.062 178.373 176.300 0.017 0.000 0.992 383 D CA 1.349 55.407 54.000 0.098 0.000 0.833 383 D CB -0.195 40.683 40.800 0.130 0.000 0.954 383 D HN 0.432 nan 8.370 nan 0.000 0.455 384 Q N 0.147 119.970 119.800 0.037 0.000 2.084 384 Q HA -0.163 4.177 4.340 -0.001 0.000 0.202 384 Q C 2.183 178.176 176.000 -0.012 0.000 0.978 384 Q CA 0.917 56.745 55.803 0.043 0.000 0.844 384 Q CB -0.207 28.598 28.738 0.111 0.000 0.898 384 Q HN 0.196 nan 8.270 nan 0.000 0.426 385 L N 0.467 121.619 121.223 -0.119 0.000 2.056 385 L HA -0.095 4.244 4.340 -0.001 0.000 0.207 385 L C 2.238 179.000 176.870 -0.182 0.000 1.078 385 L CA 1.282 55.933 54.840 -0.315 0.000 0.749 385 L CB -0.629 41.076 42.059 -0.590 0.000 0.901 385 L HN 0.137 nan 8.230 nan 0.000 0.433 386 V N 0.031 119.837 119.914 -0.180 0.000 2.332 386 V HA -0.307 3.812 4.120 -0.001 0.000 0.248 386 V C 2.295 178.319 176.094 -0.116 0.000 1.055 386 V CA 1.991 64.169 62.300 -0.203 0.000 1.038 386 V CB -0.740 30.803 31.823 -0.467 0.000 0.651 386 V HN 0.458 nan 8.190 nan 0.000 0.450 387 D N -0.113 120.235 120.400 -0.088 0.000 2.123 387 D HA -0.152 4.488 4.640 -0.001 0.000 0.196 387 D C 2.042 178.304 176.300 -0.064 0.000 0.992 387 D CA 1.422 55.386 54.000 -0.060 0.000 0.833 387 D CB -0.221 40.555 40.800 -0.040 0.000 0.954 387 D HN 0.407 nan 8.370 nan 0.000 0.455 388 I N 0.436 120.984 120.570 -0.037 0.000 2.179 388 I HA -0.292 3.878 4.170 -0.001 0.000 0.242 388 I C 2.463 178.624 176.117 0.073 0.000 1.088 388 I CA 0.689 61.995 61.300 0.009 0.000 1.357 388 I CB -0.089 37.974 38.000 0.104 0.000 1.051 388 I HN 0.074 nan 8.210 nan 0.000 0.409 389 C N 0.491 119.842 119.300 0.086 0.000 2.413 389 C HA -0.152 4.308 4.460 -0.001 0.000 0.276 389 C C 2.901 178.076 174.990 0.309 0.000 1.248 389 C CA 0.798 59.982 59.018 0.276 0.000 1.742 389 C CB -1.254 26.676 27.740 0.315 0.000 2.017 389 C HN 0.412 nan 8.230 nan 0.000 0.481 390 R N 0.907 121.469 120.500 0.103 0.000 2.073 390 R HA -0.144 4.195 4.340 -0.001 0.000 0.234 390 R C 2.331 178.623 176.300 -0.013 0.000 1.134 390 R CA 1.209 57.335 56.100 0.044 0.000 0.952 390 R CB -0.510 29.782 30.300 -0.014 0.000 0.850 390 R HN 0.578 nan 8.270 nan 0.000 0.433 391 K N 0.513 120.826 120.400 -0.145 0.000 2.113 391 K HA -0.156 4.164 4.320 -0.001 0.000 0.208 391 K C 1.289 177.637 176.600 -0.421 0.000 1.047 391 K CA 1.541 57.603 56.287 -0.375 0.000 0.928 391 K CB -0.076 32.029 32.500 -0.657 0.000 0.716 391 K HN 0.114 nan 8.250 nan 0.000 0.446 392 F N -0.787 119.206 119.950 0.072 0.000 2.773 392 F HA 0.197 4.724 4.527 -0.001 0.000 0.304 392 F C 1.415 177.370 175.800 0.258 0.000 1.129 392 F CA 0.314 58.382 58.000 0.113 0.000 1.378 392 F CB 1.087 40.076 39.000 -0.019 0.000 1.095 392 F HN 0.332 nan 8.300 nan 0.000 0.565 393 G N -0.176 108.803 108.800 0.299 0.000 2.421 393 G HA2 -0.081 3.879 3.960 -0.001 0.000 0.188 393 G HA3 -0.081 3.879 3.960 -0.001 0.000 0.188 393 G C 0.277 175.224 174.900 0.078 0.000 1.001 393 G CA -0.446 44.779 45.100 0.208 0.000 0.693 393 G HN 0.463 nan 8.290 nan 0.000 0.479 394 A N 0.812 123.704 122.820 0.121 0.000 2.492 394 A HA 0.570 4.889 4.320 -0.001 0.000 0.254 394 A C 1.427 178.979 177.584 -0.053 0.000 1.091 394 A CA 0.754 52.748 52.037 -0.071 0.000 0.768 394 A CB 0.462 19.462 19.000 0.001 0.000 1.028 394 A HN 0.219 nan 8.150 nan 0.000 0.498 395 Q N 1.394 121.131 119.800 -0.104 0.000 2.172 395 Q HA 0.039 4.379 4.340 -0.001 0.000 0.200 395 Q C 0.879 176.850 176.000 -0.048 0.000 0.964 395 Q CA 1.437 57.195 55.803 -0.074 0.000 0.855 395 Q CB 0.139 28.819 28.738 -0.097 0.000 0.918 395 Q HN 0.908 nan 8.270 nan 0.000 0.444 396 G N -0.628 108.138 108.800 -0.056 0.000 2.682 396 G HA2 0.499 4.458 3.960 -0.001 0.000 0.300 396 G HA3 0.499 4.458 3.960 -0.001 0.000 0.300 396 G C -1.517 173.378 174.900 -0.009 0.000 1.391 396 G CA -0.256 44.841 45.100 -0.005 0.000 0.990 396 G HN -0.046 nan 8.290 nan 0.000 0.501 397 S N 0.232 115.934 115.700 0.003 0.000 2.543 397 S HA 0.828 5.298 4.470 -0.001 0.000 0.273 397 S C -0.542 174.016 174.600 -0.069 0.000 1.152 397 S CA -0.806 57.381 58.200 -0.022 0.000 0.910 397 S CB 1.123 64.304 63.200 -0.032 0.000 1.105 397 S HN 1.233 nan 8.310 nan 0.000 0.465 398 R N 1.892 122.362 120.500 -0.050 0.000 2.728 398 R HA 0.606 4.946 4.340 -0.001 0.000 0.274 398 R C -1.277 175.068 176.300 0.075 0.000 1.030 398 R CA -1.167 54.934 56.100 0.003 0.000 0.876 398 R CB 0.057 30.455 30.300 0.163 0.000 1.259 398 R HN 0.507 nan 8.270 nan 0.000 0.468 399 L N -0.862 120.534 121.223 0.289 0.000 2.473 399 L HA 0.628 4.968 4.340 -0.001 0.000 0.268 399 L C 0.100 177.018 176.870 0.079 0.000 1.215 399 L CA 0.232 55.161 54.840 0.147 0.000 0.823 399 L CB 0.819 42.966 42.059 0.146 0.000 1.099 399 L HN 0.727 nan 8.230 nan 0.000 0.483 400 T N 0.315 114.894 114.554 0.042 0.000 2.906 400 T HA 0.716 5.066 4.350 -0.001 0.000 0.295 400 T C -0.007 174.702 174.700 0.015 0.000 1.061 400 T CA 0.373 62.482 62.100 0.014 0.000 1.000 400 T CB 0.817 69.685 68.868 0.000 0.000 1.103 400 T HN 1.645 nan 8.240 nan 0.000 0.486 401 G N 1.707 110.503 108.800 -0.007 0.000 2.642 401 G HA2 0.058 4.018 3.960 -0.001 0.000 0.231 401 G HA3 0.058 4.018 3.960 -0.001 0.000 0.231 401 G C 1.064 175.971 174.900 0.013 0.000 1.338 401 G CA 0.058 45.163 45.100 0.007 0.000 0.883 401 G HN 1.472 nan 8.290 nan 0.000 0.570 402 A N -0.790 122.099 122.820 0.114 0.000 1.972 402 A HA 0.508 4.828 4.320 -0.001 0.000 0.219 402 A C 2.649 180.378 177.584 0.241 0.000 1.169 402 A CA 2.690 54.902 52.037 0.291 0.000 0.635 402 A CB -0.888 18.494 19.000 0.636 0.000 0.810 402 A HN 3.020 nan 8.150 nan 0.000 0.446 403 G N -3.954 104.926 108.800 0.133 0.000 2.548 403 G HA2 -0.086 3.874 3.960 -0.001 0.000 0.208 403 G HA3 -0.086 3.874 3.960 -0.001 0.000 0.208 403 G C 0.113 175.090 174.900 0.129 0.000 1.308 403 G CA -0.196 44.866 45.100 -0.064 0.000 0.924 403 G HN 0.982 nan 8.290 nan 0.000 0.540 404 W N -0.856 120.451 121.300 0.012 0.000 4.551 404 W HA -0.003 4.657 4.660 -0.001 0.000 0.343 404 W C 1.181 177.692 176.519 -0.014 0.000 1.269 404 W CA 2.038 59.334 57.345 -0.082 0.000 0.799 404 W CB -2.032 27.246 29.460 -0.303 0.000 2.352 404 W HN 2.582 nan 8.180 nan 0.000 1.462 405 G N -1.361 107.541 108.800 0.170 0.000 2.302 405 G HA2 0.481 4.440 3.960 -0.001 0.000 0.276 405 G HA3 0.481 4.440 3.960 -0.001 0.000 0.276 405 G C 0.269 175.249 174.900 0.132 0.000 1.316 405 G CA 0.844 46.034 45.100 0.150 0.000 0.988 405 G HN 1.468 nan 8.290 nan 0.000 0.479 406 G N -1.921 106.957 108.800 0.131 0.000 2.593 406 G HA2 0.148 4.108 3.960 -0.001 0.000 0.237 406 G HA3 0.148 4.108 3.960 -0.001 0.000 0.237 406 G C 0.568 175.526 174.900 0.096 0.000 1.312 406 G CA 0.530 45.701 45.100 0.118 0.000 0.896 406 G HN 2.048 nan 8.290 nan 0.000 0.574 407 C N 0.409 119.757 119.300 0.080 0.000 2.422 407 C HA 0.842 5.302 4.460 -0.001 0.000 0.364 407 C C 1.219 176.225 174.990 0.027 0.000 1.251 407 C CA 0.541 59.590 59.018 0.052 0.000 2.441 407 C CB 0.661 28.428 27.740 0.045 0.000 2.393 407 C HN 1.281 nan 8.230 nan 0.000 0.606 408 T N -1.203 113.352 114.554 0.001 0.000 2.924 408 T HA 0.671 5.021 4.350 -0.001 0.000 0.291 408 T C -0.948 173.749 174.700 -0.006 0.000 1.045 408 T CA -0.655 61.440 62.100 -0.008 0.000 1.015 408 T CB 1.540 70.382 68.868 -0.044 0.000 1.103 408 T HN 0.692 nan 8.240 nan 0.000 0.496 409 V N 1.216 121.141 119.914 0.017 0.000 2.531 409 V HA 0.723 4.843 4.120 -0.001 0.000 0.301 409 V C -0.944 175.195 176.094 0.075 0.000 1.034 409 V CA -0.291 62.039 62.300 0.050 0.000 0.865 409 V CB 1.969 33.830 31.823 0.064 0.000 0.995 409 V HN 1.168 nan 8.190 nan 0.000 0.424 410 S N 7.211 122.944 115.700 0.056 0.000 2.513 410 S HA 0.611 5.080 4.470 -0.001 0.000 0.299 410 S C -0.583 173.889 174.600 -0.213 0.000 1.087 410 S CA -0.533 57.638 58.200 -0.049 0.000 1.012 410 S CB 1.704 64.857 63.200 -0.079 0.000 1.044 410 S HN 0.888 nan 8.310 nan 0.000 0.485 411 M N 4.098 123.508 119.600 -0.316 0.000 2.066 411 M HA 0.489 4.969 4.480 -0.001 0.000 0.340 411 M C -1.774 174.239 176.300 -0.479 0.000 1.053 411 M CA -0.460 54.462 55.300 -0.631 0.000 0.983 411 M CB 0.250 32.507 32.600 -0.572 0.000 1.520 411 M HN 0.384 nan 8.290 nan 0.000 0.428 412 V N 7.689 127.283 119.914 -0.534 0.000 2.417 412 V HA 0.504 4.623 4.120 -0.001 0.000 0.291 412 V C -2.208 173.702 176.094 -0.307 0.000 1.024 412 V CA -1.745 60.276 62.300 -0.464 0.000 0.861 412 V CB 1.373 32.767 31.823 -0.714 0.000 0.985 412 V HN 0.718 nan 8.190 nan 0.000 0.436 413 P HA 0.086 nan 4.420 nan 0.000 0.266 413 P C 0.721 177.956 177.300 -0.109 0.000 1.195 413 P CA 0.196 63.213 63.100 -0.138 0.000 0.768 413 P CB 0.828 32.474 31.700 -0.091 0.000 0.838 414 A N 4.499 127.269 122.820 -0.084 0.000 1.903 414 A HA -0.260 4.060 4.320 -0.001 0.000 0.219 414 A C 1.782 179.347 177.584 -0.032 0.000 1.191 414 A CA 2.269 54.272 52.037 -0.056 0.000 0.638 414 A CB -1.441 17.535 19.000 -0.039 0.000 0.823 414 A HN 0.697 nan 8.150 nan 0.000 0.451 415 D N -0.811 119.575 120.400 -0.024 0.000 2.263 415 D HA -0.171 4.469 4.640 -0.001 0.000 0.208 415 D C 1.235 177.542 176.300 0.010 0.000 0.971 415 D CA 1.209 55.205 54.000 -0.005 0.000 0.867 415 D CB -0.262 40.536 40.800 -0.004 0.000 0.929 415 D HN 0.438 nan 8.370 nan 0.000 0.492 416 K N -0.116 120.288 120.400 0.007 0.000 2.379 416 K HA 0.065 4.385 4.320 -0.001 0.000 0.194 416 K C 2.080 178.730 176.600 0.083 0.000 1.031 416 K CA -0.314 56.003 56.287 0.050 0.000 1.037 416 K CB 0.189 32.723 32.500 0.057 0.000 0.824 416 K HN 0.113 nan 8.250 nan 0.000 0.516 417 L N 2.879 124.120 121.223 0.030 0.000 1.978 417 L HA -0.188 4.151 4.340 -0.001 0.000 0.218 417 L C -1.070 175.867 176.870 0.111 0.000 1.075 417 L CA 2.273 57.141 54.840 0.046 0.000 0.767 417 L CB -1.149 40.905 42.059 -0.009 0.000 0.890 417 L HN 0.056 nan 8.230 nan 0.000 0.434 418 P HA -0.142 nan 4.420 nan 0.000 0.216 418 P C 1.919 179.257 177.300 0.062 0.000 1.153 418 P CA 2.155 65.289 63.100 0.058 0.000 0.848 418 P CB -0.358 31.362 31.700 0.033 0.000 0.787 419 S N -1.235 114.510 115.700 0.075 0.000 2.387 419 S HA -0.163 4.307 4.470 -0.001 0.000 0.226 419 S C 1.973 176.603 174.600 0.050 0.000 1.026 419 S CA 0.536 58.769 58.200 0.054 0.000 0.972 419 S CB -1.807 61.434 63.200 0.068 0.000 0.814 419 S HN 0.038 nan 8.310 nan 0.000 0.477 420 F N 2.703 122.649 119.950 -0.006 0.000 2.069 420 F HA -0.051 4.476 4.527 -0.000 0.000 0.298 420 F C 1.949 177.723 175.800 -0.044 0.000 1.113 420 F CA 1.595 59.599 58.000 0.007 0.000 1.214 420 F CB -0.486 38.535 39.000 0.036 0.000 0.978 420 F HN 0.148 nan 8.300 nan 0.000 0.474 421 L N 0.188 121.490 121.223 0.133 0.000 1.990 421 L HA -0.269 4.071 4.340 -0.001 0.000 0.213 421 L C 2.848 179.667 176.870 -0.085 0.000 1.072 421 L CA 1.499 56.354 54.840 0.025 0.000 0.755 421 L CB -1.341 40.770 42.059 0.087 0.000 0.889 421 L HN 0.302 nan 8.230 nan 0.000 0.432 422 A N -0.150 122.621 122.820 -0.083 0.000 1.898 422 A HA -0.180 4.140 4.320 -0.001 0.000 0.216 422 A C 2.099 179.585 177.584 -0.163 0.000 1.181 422 A CA 1.734 53.721 52.037 -0.083 0.000 0.620 422 A CB -0.529 18.430 19.000 -0.067 0.000 0.819 422 A HN 0.443 nan 8.150 nan 0.000 0.442 423 N N 0.179 118.655 118.700 -0.374 0.000 2.142 423 N HA -0.107 4.633 4.740 -0.001 0.000 0.186 423 N C 1.743 176.747 175.510 -0.843 0.000 1.023 423 N CA 1.605 54.178 53.050 -0.795 0.000 0.852 423 N CB -0.476 37.175 38.487 -1.394 0.000 0.998 423 N HN 0.256 nan 8.380 nan 0.000 0.424 424 V N 1.396 120.907 119.914 -0.671 0.000 2.427 424 V HA -0.203 3.917 4.120 -0.001 0.000 0.248 424 V C 2.312 178.413 176.094 0.013 0.000 1.051 424 V CA 1.402 63.477 62.300 -0.374 0.000 1.048 424 V CB -0.715 30.770 31.823 -0.563 0.000 0.666 424 V HN 0.469 nan 8.190 nan 0.000 0.456 425 H N 0.663 119.706 119.070 -0.046 0.000 2.290 425 H HA -0.223 4.333 4.556 -0.001 0.000 0.298 425 H C 2.510 177.917 175.328 0.133 0.000 1.087 425 H CA 2.291 58.426 56.048 0.145 0.000 1.291 425 H CB 0.176 29.933 29.762 -0.009 0.000 1.369 425 H HN 0.364 nan 8.280 nan 0.000 0.492 426 K N 0.257 120.653 120.400 -0.007 0.000 2.057 426 K HA -0.109 4.210 4.320 -0.001 0.000 0.207 426 K C 2.295 178.845 176.600 -0.084 0.000 1.049 426 K CA 1.162 57.401 56.287 -0.081 0.000 0.931 426 K CB -0.127 32.335 32.500 -0.063 0.000 0.714 426 K HN 0.284 nan 8.250 nan 0.000 0.440 427 A N -0.462 122.318 122.820 -0.065 0.000 1.929 427 A HA -0.142 4.177 4.320 -0.001 0.000 0.216 427 A C 1.851 179.446 177.584 0.017 0.000 1.176 427 A CA 1.222 53.274 52.037 0.024 0.000 0.628 427 A CB -0.418 18.687 19.000 0.176 0.000 0.816 427 A HN 0.588 nan 8.150 nan 0.000 0.444 428 Y N -2.787 117.400 120.300 -0.190 0.000 2.535 428 Y HA 0.222 4.772 4.550 -0.000 0.000 0.264 428 Y C 1.130 176.709 175.900 -0.534 0.000 1.087 428 Y CA 0.157 58.018 58.100 -0.399 0.000 1.285 428 Y CB 0.565 38.655 38.460 -0.618 0.000 1.200 428 Y HN 0.283 nan 8.280 nan 0.000 0.514 429 Y N 0.300 120.534 120.300 -0.110 0.000 2.457 429 Y HA 0.303 4.852 4.550 -0.001 0.000 0.263 429 Y C 1.551 177.286 175.900 -0.276 0.000 1.164 429 Y CA 0.286 58.262 58.100 -0.206 0.000 1.274 429 Y CB -0.725 37.619 38.460 -0.194 0.000 1.097 429 Y HN 0.111 nan 8.280 nan 0.000 0.523 441 Q N 0.971 120.786 119.800 0.026 0.000 2.008 441 Q HA 0.124 4.464 4.340 -0.001 0.000 0.196 441 Q C 1.411 177.518 176.000 0.178 0.000 0.973 441 Q CA 1.744 57.565 55.803 0.030 0.000 0.826 441 Q CB 0.004 28.751 28.738 0.016 0.000 0.894 441 Q HN 0.135 nan 8.270 nan 0.000 0.439 442 S N -0.105 115.665 115.700 0.117 0.000 2.503 442 S HA 0.167 4.637 4.470 -0.001 0.000 0.215 442 S C -0.072 174.548 174.600 0.032 0.000 1.003 442 S CA -0.151 58.115 58.200 0.109 0.000 0.910 442 S CB 0.382 63.574 63.200 -0.013 0.000 0.790 442 S HN 0.126 nan 8.310 nan 0.000 0.514 443 L N 2.138 123.374 121.223 0.023 0.000 2.441 443 L HA 0.654 4.994 4.340 -0.001 0.000 0.270 443 L C -1.740 175.217 176.870 0.144 0.000 0.973 443 L CA -0.855 53.961 54.840 -0.041 0.000 0.842 443 L CB 0.900 42.850 42.059 -0.181 0.000 1.239 443 L HN 0.178 nan 8.230 nan 0.000 0.406 444 F N 3.111 123.080 119.950 0.031 0.000 2.688 444 F HA 0.895 5.422 4.527 -0.001 0.000 0.308 444 F C -0.476 175.363 175.800 0.065 0.000 1.117 444 F CA -0.916 57.103 58.000 0.031 0.000 0.976 444 F CB 0.548 39.551 39.000 0.006 0.000 1.291 444 F HN 0.630 nan 8.300 nan 0.000 0.439 445 A N 1.629 124.561 122.820 0.186 0.000 2.407 445 A HA 0.660 4.980 4.320 -0.001 0.000 0.248 445 A C 0.019 177.734 177.584 0.219 0.000 1.082 445 A CA 0.352 52.463 52.037 0.123 0.000 0.785 445 A CB 0.724 19.784 19.000 0.100 0.000 1.020 445 A HN 1.059 nan 8.150 nan 0.000 0.489 446 T N 0.057 114.710 114.554 0.165 0.000 2.838 446 T HA 0.723 5.072 4.350 -0.001 0.000 0.292 446 T C -1.094 173.693 174.700 0.144 0.000 1.113 446 T CA -0.569 61.648 62.100 0.194 0.000 1.008 446 T CB 0.996 69.988 68.868 0.207 0.000 1.259 446 T HN 0.985 nan 8.240 nan 0.000 0.520 447 K N 0.630 121.095 120.400 0.108 0.000 2.575 447 K HA 0.604 4.924 4.320 -0.001 0.000 0.279 447 K C -3.190 173.431 176.600 0.036 0.000 0.969 447 K CA -2.024 54.311 56.287 0.081 0.000 0.868 447 K CB 1.234 33.779 32.500 0.076 0.000 1.457 447 K HN 0.252 nan 8.250 nan 0.000 0.426 448 P HA 0.092 nan 4.420 nan 0.000 0.265 448 P C -0.255 177.043 177.300 -0.004 0.000 1.222 448 P CA 0.227 63.318 63.100 -0.016 0.000 0.767 448 P CB 0.730 32.414 31.700 -0.026 0.000 0.801 449 G N 2.482 111.277 108.800 -0.009 0.000 2.531 449 G HA2 0.597 4.557 3.960 -0.001 0.000 0.313 449 G HA3 0.597 4.557 3.960 -0.001 0.000 0.313 449 G C -0.008 174.882 174.900 -0.015 0.000 1.238 449 G CA -0.728 44.367 45.100 -0.008 0.000 0.994 449 G HN 0.537 nan 8.290 nan 0.000 0.493 450 G N -1.564 107.227 108.800 -0.016 0.000 2.547 450 G HA2 0.556 4.516 3.960 -0.001 0.000 0.291 450 G HA3 0.556 4.516 3.960 -0.001 0.000 0.291 450 G C 0.474 175.359 174.900 -0.025 0.000 1.211 450 G CA 0.210 45.301 45.100 -0.015 0.000 0.950 450 G HN 0.822 nan 8.290 nan 0.000 0.504 451 G N -1.061 107.728 108.800 -0.017 0.000 2.535 451 G HA2 0.593 4.552 3.960 -0.001 0.000 0.282 451 G HA3 0.593 4.552 3.960 -0.001 0.000 0.282 451 G C 0.521 175.398 174.900 -0.038 0.000 1.350 451 G CA 0.180 45.261 45.100 -0.031 0.000 1.039 451 G HN 1.127 nan 8.290 nan 0.000 0.509 452 A N -1.174 121.599 122.820 -0.079 0.000 2.531 452 A HA 0.532 4.852 4.320 -0.001 0.000 0.236 452 A C -0.072 177.537 177.584 0.041 0.000 1.062 452 A CA 0.454 52.448 52.037 -0.071 0.000 0.760 452 A CB -0.097 18.755 19.000 -0.247 0.000 0.995 452 A HN 0.563 nan 8.150 nan 0.000 0.501 453 L N 1.599 122.848 121.223 0.045 0.000 2.469 453 L HA 0.437 4.776 4.340 -0.001 0.000 0.256 453 L C -0.921 176.002 176.870 0.088 0.000 1.006 453 L CA -1.021 53.856 54.840 0.062 0.000 0.832 453 L CB 2.279 44.356 42.059 0.031 0.000 1.421 453 L HN 0.435 nan 8.230 nan 0.000 0.410 454 V N 2.787 122.750 119.914 0.082 0.000 2.439 454 V HA 0.450 4.570 4.120 -0.001 0.000 0.282 454 V C -0.242 175.914 176.094 0.103 0.000 1.039 454 V CA -0.379 61.983 62.300 0.103 0.000 0.913 454 V CB 1.541 33.379 31.823 0.025 0.000 0.983 454 V HN 0.397 nan 8.190 nan 0.000 0.460 455 L N 6.194 127.524 121.223 0.179 0.000 2.341 455 L HA 0.649 4.989 4.340 -0.001 0.000 0.278 455 L C -0.703 176.322 176.870 0.258 0.000 1.005 455 L CA -0.358 54.580 54.840 0.163 0.000 0.818 455 L CB 1.707 43.825 42.059 0.098 0.000 1.259 455 L HN 0.389 nan 8.230 nan 0.000 0.418 456 L N 2.218 123.540 121.223 0.165 0.000 2.362 456 L HA 0.440 4.780 4.340 -0.001 0.000 0.271 456 L C 0.104 177.054 176.870 0.132 0.000 1.002 456 L CA -0.686 54.258 54.840 0.174 0.000 0.818 456 L CB 2.358 44.479 42.059 0.103 0.000 1.298 456 L HN 0.583 nan 8.230 nan 0.000 0.420 457 E N 1.511 121.803 120.200 0.154 0.000 2.415 457 E HA 0.209 4.558 4.350 -0.001 0.000 0.263 457 E C 0.002 176.644 176.600 0.070 0.000 0.995 457 E CA -0.250 56.211 56.400 0.103 0.000 0.915 457 E CB 1.192 30.960 29.700 0.115 0.000 0.951 457 E HN 0.641 nan 8.360 nan 0.000 0.449 458 A N 0.000 122.853 122.820 0.054 0.000 2.254 458 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 458 A CA 0.000 52.063 52.037 0.043 0.000 0.836 458 A CB 0.000 19.024 19.000 0.040 0.000 0.831 458 A HN 0.000 nan 8.150 nan 0.000 0.486