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 2oi7_1_B DATA FIRST_RESID 3 DATA SEQUENCE NNAMSVVILA AGKGTRMYSD LPKVLHTLAG KAMVQHVIDA ANELGAAHVH DATA SEQUENCE LVYGHGGDLL KQALKDDNLN WVLQAEQLGT GHAMQQAAPF FADDEDILML DATA SEQUENCE YGDVPLISVE TLQRLRDAKP QGGIGLLTVK LDDPTGYGRI TRENGKVTGI DATA SEQUENCE VEHKDATDEQ RQIQEINTGI LIANGADMKR WLAKLTNNNA QGEYYITDII DATA SEQUENCE ALAYQEGREI VAVHPQRLSE VEGVNNRLQL SRLERVYQSE QAEKLLLAGV DATA SEQUENCE MLRDPARFDL RGTLTHGRDV EIDTNVIIEG NVTLGHRVKI GTGCVIKNSV DATA SEQUENCE IGDDCEISPY TVVEDANLAA ACTIGPFARL RPGAELLEGA HVGNFVEMKK DATA SEQUENCE ARLGKGSKAG HLTYLGDAEI GDNVNIGAGT ITCNYDGANK FKTIIGDDVF DATA SEQUENCE VGSDTQLVAP VTVGKGATIA AGTTVTRNVG ENALAISRVP QTQKEGWRRP 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 3 N HA 0.000 nan 4.740 nan 0.000 0.220 3 N C 0.000 175.507 175.510 -0.006 0.000 1.280 3 N CA 0.000 53.047 53.050 -0.005 0.000 0.885 3 N CB 0.000 38.485 38.487 -0.003 0.000 1.341 4 N N 0.005 118.701 118.700 -0.007 0.000 2.701 4 N HA 0.774 5.514 4.740 0.000 0.000 0.290 4 N C -0.626 174.875 175.510 -0.014 0.000 1.338 4 N CA -0.705 52.340 53.050 -0.008 0.000 0.799 4 N CB 2.555 41.039 38.487 -0.006 0.000 1.491 4 N HN 0.205 nan 8.380 nan 0.000 0.540 5 A N -0.059 122.752 122.820 -0.016 0.000 2.336 5 A HA 0.769 5.089 4.320 0.000 0.000 0.291 5 A C -0.165 177.402 177.584 -0.028 0.000 1.266 5 A CA -0.570 51.451 52.037 -0.027 0.000 0.891 5 A CB 0.337 19.316 19.000 -0.035 0.000 1.366 5 A HN 0.881 nan 8.150 nan 0.000 0.507 6 M N -2.117 117.458 119.600 -0.041 0.000 2.520 6 M HA 0.683 5.163 4.480 0.000 0.000 0.280 6 M C -1.190 175.080 176.300 -0.050 0.000 1.232 6 M CA -0.230 55.045 55.300 -0.042 0.000 0.892 6 M CB 1.952 34.525 32.600 -0.045 0.000 1.728 6 M HN 0.349 nan 8.290 nan 0.000 0.475 7 S N 1.005 116.685 115.700 -0.034 0.000 2.542 7 S HA 0.855 5.325 4.470 0.000 0.000 0.293 7 S C -0.975 173.599 174.600 -0.043 0.000 1.089 7 S CA -0.779 57.405 58.200 -0.026 0.000 0.961 7 S CB 2.252 65.520 63.200 0.115 0.000 1.062 7 S HN 0.590 nan 8.310 nan 0.000 0.483 8 V N 2.093 121.967 119.914 -0.066 0.000 2.547 8 V HA 0.680 4.800 4.120 0.000 0.000 0.299 8 V C -0.365 175.744 176.094 0.025 0.000 1.040 8 V CA -0.673 61.607 62.300 -0.033 0.000 0.913 8 V CB 1.700 33.495 31.823 -0.047 0.000 0.992 8 V HN 0.632 nan 8.190 nan 0.000 0.449 9 V N 6.337 126.305 119.914 0.090 0.000 2.483 9 V HA 0.599 4.719 4.120 0.000 0.000 0.297 9 V C -0.745 175.427 176.094 0.131 0.000 1.027 9 V CA -0.331 62.081 62.300 0.186 0.000 0.855 9 V CB 1.545 33.564 31.823 0.327 0.000 0.995 9 V HN 0.751 nan 8.190 nan 0.000 0.424 10 I N 7.599 128.227 120.570 0.096 0.000 2.355 10 I HA 0.399 4.569 4.170 0.000 0.000 0.288 10 I C -0.391 175.785 176.117 0.097 0.000 0.999 10 I CA -0.531 60.821 61.300 0.086 0.000 1.163 10 I CB 1.618 39.629 38.000 0.017 0.000 1.316 10 I HN 0.407 nan 8.210 nan 0.000 0.454 11 L N 6.487 127.797 121.223 0.144 0.000 2.278 11 L HA 0.500 4.840 4.340 0.000 0.000 0.287 11 L C 0.789 177.684 176.870 0.042 0.000 1.072 11 L CA 0.036 54.928 54.840 0.087 0.000 0.819 11 L CB 1.020 43.113 42.059 0.057 0.000 1.176 11 L HN 0.796 nan 8.230 nan 0.000 0.435 12 A N 2.310 125.160 122.820 0.051 0.000 2.622 12 A HA 0.510 4.830 4.320 0.000 0.000 0.283 12 A C 1.277 178.920 177.584 0.100 0.000 0.998 12 A CA 0.440 52.514 52.037 0.061 0.000 0.985 12 A CB 0.361 19.403 19.000 0.070 0.000 1.236 12 A HN 0.721 nan 8.150 nan 0.000 0.559 13 A N 0.043 122.914 122.820 0.084 0.000 2.123 13 A HA 0.470 4.790 4.320 0.000 0.000 0.214 13 A C 1.472 179.114 177.584 0.096 0.000 1.152 13 A CA 0.878 52.977 52.037 0.104 0.000 0.728 13 A CB -0.531 18.499 19.000 0.050 0.000 0.814 13 A HN 0.966 nan 8.150 nan 0.000 0.464 14 G N -0.390 108.433 108.800 0.038 0.000 2.544 14 G HA2 0.451 4.411 3.960 0.000 0.000 0.242 14 G HA3 0.451 4.411 3.960 0.000 0.000 0.242 14 G C -0.036 174.856 174.900 -0.014 0.000 1.247 14 G CA 0.354 45.450 45.100 -0.007 0.000 0.840 14 G HN 0.738 nan 8.290 nan 0.000 0.578 15 K N 0.377 120.698 120.400 -0.132 0.000 2.159 15 K HA 0.691 5.011 4.320 0.000 0.000 0.266 15 K C 0.571 177.040 176.600 -0.218 0.000 0.975 15 K CA -0.233 55.877 56.287 -0.294 0.000 0.865 15 K CB 1.642 33.634 32.500 -0.847 0.000 1.087 15 K HN 1.224 nan 8.250 nan 0.000 0.446 16 G N 1.673 110.372 108.800 -0.168 0.000 3.209 16 G HA2 0.271 4.231 3.960 0.000 0.000 0.274 16 G HA3 0.271 4.231 3.960 0.000 0.000 0.274 16 G C 0.941 175.690 174.900 -0.251 0.000 0.850 16 G CA 0.244 45.227 45.100 -0.194 0.000 1.907 16 G HN 0.727 nan 8.290 nan 0.000 0.591 17 T N 1.132 115.526 114.554 -0.268 0.000 2.721 17 T HA -0.192 4.158 4.350 0.000 0.000 0.268 17 T C 2.500 176.843 174.700 -0.594 0.000 1.038 17 T CA 1.134 63.043 62.100 -0.318 0.000 1.145 17 T CB -0.060 68.668 68.868 -0.234 0.000 0.858 17 T HN 0.471 nan 8.240 nan 0.000 0.459 18 R N 0.158 120.342 120.500 -0.527 0.000 2.316 18 R HA 0.171 4.511 4.340 0.000 0.000 0.202 18 R C 1.944 177.879 176.300 -0.609 0.000 1.029 18 R CA 0.521 56.227 56.100 -0.658 0.000 1.018 18 R CB -0.043 30.054 30.300 -0.339 0.000 0.888 18 R HN 0.351 nan 8.270 nan 0.000 0.471 19 M N -0.757 118.577 119.600 -0.442 0.000 2.556 19 M HA 0.017 4.497 4.480 0.000 0.000 0.245 19 M C -0.295 175.951 176.300 -0.089 0.000 1.128 19 M CA 0.397 55.540 55.300 -0.262 0.000 1.069 19 M CB -0.063 32.345 32.600 -0.320 0.000 1.469 19 M HN 0.100 nan 8.290 nan 0.000 0.494 20 Y N 0.544 120.825 120.300 -0.031 0.000 2.981 20 Y HA -0.251 4.299 4.550 0.000 0.000 0.204 20 Y C 0.633 176.558 175.900 0.042 0.000 1.265 20 Y CA 0.168 58.270 58.100 0.003 0.000 0.941 20 Y CB -1.678 36.783 38.460 0.002 0.000 1.254 20 Y HN 0.237 nan 8.280 nan 0.000 0.469 21 S N -0.631 115.161 115.700 0.154 0.000 2.632 21 S HA 0.506 4.976 4.470 0.000 0.000 0.289 21 S C 0.253 174.961 174.600 0.180 0.000 1.115 21 S CA -0.852 57.465 58.200 0.196 0.000 0.889 21 S CB 1.533 64.919 63.200 0.309 0.000 1.116 21 S HN 0.228 nan 8.310 nan 0.000 0.486 22 D N 1.376 121.874 120.400 0.163 0.000 2.363 22 D HA 0.243 4.883 4.640 0.000 0.000 0.214 22 D C -0.458 175.927 176.300 0.142 0.000 1.093 22 D CA 0.166 54.252 54.000 0.144 0.000 0.837 22 D CB 0.241 41.098 40.800 0.095 0.000 0.948 22 D HN 0.273 nan 8.370 nan 0.000 0.507 23 L N 0.878 122.207 121.223 0.177 0.000 2.341 23 L HA 0.478 4.818 4.340 0.000 0.000 0.278 23 L C -2.598 174.427 176.870 0.257 0.000 1.005 23 L CA -2.099 52.831 54.840 0.150 0.000 0.818 23 L CB 1.723 43.799 42.059 0.028 0.000 1.259 23 L HN -0.325 nan 8.230 nan 0.000 0.418 24 P HA -0.019 nan 4.420 nan 0.000 0.263 24 P C 0.194 177.656 177.300 0.270 0.000 1.175 24 P CA 0.185 63.447 63.100 0.271 0.000 0.761 24 P CB 0.495 32.324 31.700 0.214 0.000 0.794 25 K N 3.117 123.618 120.400 0.169 0.000 2.015 25 K HA -0.195 4.125 4.320 0.000 0.000 0.216 25 K C 1.572 178.263 176.600 0.152 0.000 1.052 25 K CA 2.494 58.822 56.287 0.069 0.000 0.937 25 K CB -0.686 31.778 32.500 -0.060 0.000 0.719 25 K HN 0.379 nan 8.250 nan 0.000 0.446 26 V N -0.369 119.615 119.914 0.117 0.000 2.828 26 V HA -0.169 3.951 4.120 0.000 0.000 0.260 26 V C 1.882 178.054 176.094 0.129 0.000 1.101 26 V CA 1.464 63.829 62.300 0.107 0.000 1.123 26 V CB -0.563 31.310 31.823 0.083 0.000 0.704 26 V HN 0.262 nan 8.190 nan 0.000 0.493 27 L N -0.807 120.514 121.223 0.164 0.000 2.492 27 L HA 0.206 4.546 4.340 0.000 0.000 0.223 27 L C 0.901 177.823 176.870 0.088 0.000 1.132 27 L CA 0.060 54.967 54.840 0.111 0.000 0.850 27 L CB -0.482 41.626 42.059 0.081 0.000 0.966 27 L HN 0.419 nan 8.230 nan 0.000 0.454 28 H N 0.469 119.563 119.070 0.039 0.000 2.928 28 H HA 0.043 4.599 4.556 0.000 0.000 0.338 28 H C 0.684 176.035 175.328 0.038 0.000 1.047 28 H CA 0.040 56.109 56.048 0.036 0.000 1.435 28 H CB 0.580 30.360 29.762 0.031 0.000 1.428 28 H HN 0.036 nan 8.280 nan 0.000 0.590 29 T N 1.359 115.965 114.554 0.086 0.000 2.909 29 T HA 0.433 4.783 4.350 0.000 0.000 0.289 29 T C -0.032 174.729 174.700 0.102 0.000 1.005 29 T CA -1.026 61.119 62.100 0.076 0.000 1.084 29 T CB 0.771 69.658 68.868 0.032 0.000 0.975 29 T HN 0.426 nan 8.240 nan 0.000 0.509 30 L N 2.696 123.993 121.223 0.123 0.000 2.404 30 L HA 0.557 4.897 4.340 0.000 0.000 0.272 30 L C 0.543 177.494 176.870 0.135 0.000 0.980 30 L CA -0.417 54.477 54.840 0.089 0.000 0.836 30 L CB 1.094 43.149 42.059 -0.007 0.000 1.238 30 L HN 1.208 nan 8.230 nan 0.000 0.408 31 A N 3.310 126.204 122.820 0.123 0.000 2.832 31 A HA -0.060 4.260 4.320 0.000 0.000 0.280 31 A C 1.363 179.029 177.584 0.137 0.000 1.464 31 A CA 1.307 53.455 52.037 0.184 0.000 0.804 31 A CB -2.174 17.057 19.000 0.385 0.000 1.020 31 A HN 2.167 nan 8.150 nan 0.000 0.563 32 G N -1.896 106.956 108.800 0.087 0.000 2.217 32 G HA2 -0.254 3.706 3.960 0.000 0.000 0.246 32 G HA3 -0.254 3.706 3.960 0.000 0.000 0.246 32 G C 0.094 175.001 174.900 0.013 0.000 0.990 32 G CA 1.275 46.402 45.100 0.045 0.000 0.627 32 G HN 1.613 nan 8.290 nan 0.000 0.522 33 K N 0.980 121.382 120.400 0.004 0.000 2.244 33 K HA 0.734 5.054 4.320 0.000 0.000 0.260 33 K C 0.651 177.193 176.600 -0.097 0.000 0.951 33 K CA -0.141 56.063 56.287 -0.137 0.000 0.826 33 K CB 1.330 33.586 32.500 -0.408 0.000 1.108 33 K HN 0.690 nan 8.250 nan 0.000 0.433 34 A N 5.011 127.787 122.820 -0.075 0.000 2.565 34 A HA -0.026 4.294 4.320 0.000 0.000 0.237 34 A C 1.352 178.966 177.584 0.051 0.000 1.053 34 A CA 0.254 52.293 52.037 0.003 0.000 0.755 34 A CB 0.027 19.025 19.000 -0.004 0.000 0.980 34 A HN 1.047 nan 8.150 nan 0.000 0.506 35 M N 2.785 122.470 119.600 0.141 0.000 2.082 35 M HA -0.184 4.296 4.480 0.000 0.000 0.258 35 M C 2.073 178.447 176.300 0.124 0.000 1.069 35 M CA 2.221 57.631 55.300 0.183 0.000 1.102 35 M CB -0.593 32.076 32.600 0.115 0.000 1.336 35 M HN 0.714 nan 8.290 nan 0.000 0.404 36 V N 0.107 120.065 119.914 0.073 0.000 2.469 36 V HA -0.298 3.822 4.120 0.000 0.000 0.251 36 V C 2.269 178.368 176.094 0.009 0.000 1.064 36 V CA 2.360 64.685 62.300 0.040 0.000 1.066 36 V CB -0.415 31.425 31.823 0.028 0.000 0.667 36 V HN 0.542 nan 8.190 nan 0.000 0.461 37 Q N -0.315 119.473 119.800 -0.019 0.000 2.119 37 Q HA -0.189 4.151 4.340 0.000 0.000 0.201 37 Q C 1.895 177.845 176.000 -0.083 0.000 0.972 37 Q CA 2.315 58.074 55.803 -0.074 0.000 0.847 37 Q CB -0.510 28.153 28.738 -0.125 0.000 0.903 37 Q HN 0.867 nan 8.270 nan 0.000 0.433 38 H N -1.487 117.568 119.070 -0.026 0.000 2.321 38 H HA -0.083 4.473 4.556 0.000 0.000 0.300 38 H C 1.851 177.163 175.328 -0.027 0.000 1.087 38 H CA 1.800 57.826 56.048 -0.037 0.000 1.319 38 H CB 0.194 29.916 29.762 -0.067 0.000 1.379 38 H HN 0.096 nan 8.280 nan 0.000 0.501 39 V N 0.676 120.659 119.914 0.115 0.000 2.295 39 V HA -0.247 3.873 4.120 0.000 0.000 0.246 39 V C 2.318 178.425 176.094 0.022 0.000 1.049 39 V CA 1.821 64.156 62.300 0.058 0.000 1.024 39 V CB -0.491 31.364 31.823 0.052 0.000 0.648 39 V HN 0.406 nan 8.190 nan 0.000 0.447 40 I N 0.256 120.826 120.570 -0.001 0.000 2.286 40 I HA -0.229 3.941 4.170 0.000 0.000 0.248 40 I C 2.255 178.359 176.117 -0.022 0.000 1.115 40 I CA 1.540 62.822 61.300 -0.030 0.000 1.392 40 I CB -0.495 37.471 38.000 -0.056 0.000 1.065 40 I HN 0.315 nan 8.210 nan 0.000 0.418 41 D N 0.954 121.347 120.400 -0.011 0.000 2.178 41 D HA -0.117 4.523 4.640 0.000 0.000 0.201 41 D C 2.173 178.478 176.300 0.008 0.000 0.980 41 D CA 1.413 55.411 54.000 -0.004 0.000 0.842 41 D CB 0.006 40.806 40.800 0.000 0.000 0.948 41 D HN 0.367 nan 8.370 nan 0.000 0.472 42 A N 0.601 123.431 122.820 0.018 0.000 1.975 42 A HA 0.192 4.512 4.320 0.000 0.000 0.215 42 A C 2.234 179.816 177.584 -0.003 0.000 1.170 42 A CA 1.341 53.387 52.037 0.014 0.000 0.656 42 A CB -0.309 18.704 19.000 0.022 0.000 0.821 42 A HN 0.193 nan 8.150 nan 0.000 0.449 43 A N 0.244 123.057 122.820 -0.011 0.000 1.969 43 A HA -0.102 4.218 4.320 0.000 0.000 0.218 43 A C 1.546 179.110 177.584 -0.033 0.000 1.169 43 A CA 1.408 53.430 52.037 -0.025 0.000 0.635 43 A CB -0.444 18.537 19.000 -0.033 0.000 0.810 43 A HN 0.449 nan 8.150 nan 0.000 0.445 44 N N 0.414 119.097 118.700 -0.029 0.000 2.434 44 N HA 0.007 4.747 4.740 0.000 0.000 0.196 44 N C 0.187 175.683 175.510 -0.023 0.000 1.183 44 N CA 0.408 53.440 53.050 -0.031 0.000 0.849 44 N CB 0.253 38.723 38.487 -0.028 0.000 0.992 44 N HN 0.445 nan 8.380 nan 0.000 0.460 45 E N -0.174 120.014 120.200 -0.018 0.000 2.734 45 E HA 0.217 4.567 4.350 0.000 0.000 0.211 45 E C 0.736 177.326 176.600 -0.017 0.000 0.991 45 E CA -0.002 56.390 56.400 -0.013 0.000 1.065 45 E CB 0.591 30.288 29.700 -0.004 0.000 1.047 45 E HN 0.316 nan 8.360 nan 0.000 0.470 46 L N -0.587 120.621 121.223 -0.025 0.000 2.766 46 L HA 0.315 4.655 4.340 0.000 0.000 0.242 46 L C 0.895 177.744 176.870 -0.034 0.000 1.136 46 L CA 0.021 54.845 54.840 -0.028 0.000 0.933 46 L CB 0.409 42.449 42.059 -0.031 0.000 1.241 46 L HN 0.115 nan 8.230 nan 0.000 0.522 47 G N 1.868 110.645 108.800 -0.038 0.000 2.374 47 G HA2 -0.112 3.848 3.960 0.000 0.000 0.289 47 G HA3 -0.112 3.848 3.960 0.000 0.000 0.289 47 G C 0.033 174.897 174.900 -0.060 0.000 1.004 47 G CA 0.306 45.379 45.100 -0.045 0.000 1.292 47 G HN 0.488 nan 8.290 nan 0.000 0.502 48 A N 0.395 123.169 122.820 -0.077 0.000 2.337 48 A HA 1.023 5.343 4.320 0.000 0.000 0.331 48 A C 1.272 178.760 177.584 -0.160 0.000 1.137 48 A CA 0.318 52.294 52.037 -0.102 0.000 0.807 48 A CB 1.247 20.190 19.000 -0.094 0.000 1.250 48 A HN 1.922 nan 8.150 nan 0.000 0.468 49 A N 0.890 123.571 122.820 -0.231 0.000 1.834 49 A HA 0.119 4.439 4.320 0.000 0.000 0.216 49 A C 0.764 177.987 177.584 -0.603 0.000 1.203 49 A CA 2.030 53.779 52.037 -0.481 0.000 0.621 49 A CB -0.809 17.815 19.000 -0.627 0.000 0.841 49 A HN 0.973 nan 8.150 nan 0.000 0.446 50 H N -3.644 115.355 119.070 -0.119 0.000 2.821 50 H HA 0.633 5.189 4.556 0.000 0.000 0.373 50 H C -1.332 173.763 175.328 -0.388 0.000 1.165 50 H CA -0.908 55.002 56.048 -0.230 0.000 1.154 50 H CB 1.824 31.432 29.762 -0.256 0.000 1.765 50 H HN 0.025 nan 8.280 nan 0.000 0.549 51 V N 3.463 123.241 119.914 -0.228 0.000 2.326 51 V HA 0.152 4.272 4.120 0.000 0.000 0.281 51 V C -0.392 175.535 176.094 -0.277 0.000 1.015 51 V CA -0.735 61.420 62.300 -0.241 0.000 0.823 51 V CB 0.220 31.960 31.823 -0.138 0.000 1.009 51 V HN 0.754 nan 8.190 nan 0.000 0.436 52 H N 4.773 123.824 119.070 -0.032 0.000 2.582 52 H HA 0.472 5.028 4.556 0.000 0.000 0.345 52 H C -0.454 174.799 175.328 -0.124 0.000 1.104 52 H CA -0.709 55.279 56.048 -0.100 0.000 1.390 52 H CB 2.152 31.891 29.762 -0.038 0.000 1.461 52 H HN 0.426 nan 8.280 nan 0.000 0.551 53 L N 4.003 125.177 121.223 -0.082 0.000 2.417 53 L HA 0.208 4.548 4.340 0.000 0.000 0.259 53 L C -0.995 175.877 176.870 0.002 0.000 1.023 53 L CA -0.601 54.145 54.840 -0.157 0.000 0.901 53 L CB 0.692 42.430 42.059 -0.534 0.000 1.227 53 L HN 0.285 nan 8.230 nan 0.000 0.454 54 V N 5.919 125.874 119.914 0.069 0.000 2.446 54 V HA 0.147 4.267 4.120 0.000 0.000 0.276 54 V C -0.055 176.135 176.094 0.160 0.000 1.030 54 V CA 0.044 62.402 62.300 0.097 0.000 1.033 54 V CB -0.708 31.148 31.823 0.056 0.000 0.993 54 V HN 0.708 nan 8.190 nan 0.000 0.477 55 Y N 3.094 123.451 120.300 0.094 0.000 2.598 55 Y HA 0.997 5.547 4.550 0.000 0.000 0.340 55 Y C 0.465 176.446 175.900 0.135 0.000 1.038 55 Y CA -0.173 58.011 58.100 0.140 0.000 1.100 55 Y CB 2.202 40.822 38.460 0.267 0.000 1.281 55 Y HN 0.599 nan 8.280 nan 0.000 0.488 56 G N 0.373 109.225 108.800 0.088 0.000 3.364 56 G HA2 -0.011 3.949 3.960 0.000 0.000 0.137 56 G HA3 -0.011 3.949 3.960 0.000 0.000 0.137 56 G C -1.189 173.793 174.900 0.137 0.000 1.298 56 G CA -0.381 44.713 45.100 -0.010 0.000 1.341 56 G HN 0.927 nan 8.290 nan 0.000 0.718 57 H N 1.380 120.492 119.070 0.071 0.000 3.157 57 H HA 0.385 4.941 4.556 0.000 0.000 0.299 57 H C 1.366 176.763 175.328 0.114 0.000 0.961 57 H CA 1.658 57.751 56.048 0.075 0.000 1.428 57 H CB 0.091 29.882 29.762 0.050 0.000 1.459 57 H HN 1.454 nan 8.280 nan 0.000 0.566 58 G N 3.147 111.730 108.800 -0.362 0.000 2.176 58 G HA2 -0.298 3.662 3.960 0.000 0.000 0.252 58 G HA3 -0.298 3.662 3.960 0.000 0.000 0.252 58 G C 1.397 176.314 174.900 0.028 0.000 1.024 58 G CA 0.710 45.688 45.100 -0.203 0.000 0.755 58 G HN 1.065 nan 8.290 nan 0.000 0.507 59 G N 0.160 109.046 108.800 0.142 0.000 2.469 59 G HA2 -0.232 3.728 3.960 0.000 0.000 0.220 59 G HA3 -0.232 3.728 3.960 0.000 0.000 0.220 59 G C 1.319 176.258 174.900 0.064 0.000 1.136 59 G CA 1.583 46.863 45.100 0.300 0.000 0.759 59 G HN 0.517 nan 8.290 nan 0.000 0.562 60 D N 0.433 120.841 120.400 0.014 0.000 2.149 60 D HA -0.076 4.564 4.640 0.000 0.000 0.198 60 D C 2.663 178.929 176.300 -0.056 0.000 0.990 60 D CA 0.565 54.532 54.000 -0.055 0.000 0.839 60 D CB -0.177 40.598 40.800 -0.042 0.000 0.948 60 D HN 0.330 nan 8.370 nan 0.000 0.460 61 L N 0.311 121.524 121.223 -0.016 0.000 2.027 61 L HA -0.118 4.222 4.340 0.000 0.000 0.206 61 L C 2.675 179.564 176.870 0.031 0.000 1.074 61 L CA 0.595 55.436 54.840 0.000 0.000 0.745 61 L CB -0.389 41.677 42.059 0.012 0.000 0.898 61 L HN 0.037 nan 8.230 nan 0.000 0.433 62 L N -0.137 121.136 121.223 0.084 0.000 2.046 62 L HA -0.223 4.117 4.340 0.000 0.000 0.208 62 L C 2.703 179.706 176.870 0.221 0.000 1.077 62 L CA 1.449 56.402 54.840 0.188 0.000 0.747 62 L CB -0.406 41.837 42.059 0.307 0.000 0.896 62 L HN 0.285 nan 8.230 nan 0.000 0.432 63 K N -0.580 119.775 120.400 -0.074 0.000 2.148 63 K HA -0.212 4.108 4.320 0.000 0.000 0.204 63 K C 1.882 178.368 176.600 -0.190 0.000 1.050 63 K CA 0.925 56.936 56.287 -0.460 0.000 0.942 63 K CB -0.076 31.986 32.500 -0.731 0.000 0.724 63 K HN 0.101 nan 8.250 nan 0.000 0.446 64 Q N -0.071 119.669 119.800 -0.100 0.000 2.403 64 Q HA 0.132 4.472 4.340 0.000 0.000 0.203 64 Q C 0.920 176.915 176.000 -0.008 0.000 0.932 64 Q CA 0.273 56.040 55.803 -0.061 0.000 0.945 64 Q CB 0.489 29.192 28.738 -0.058 0.000 1.045 64 Q HN 0.293 nan 8.270 nan 0.000 0.511 65 A N -0.980 121.862 122.820 0.036 0.000 2.211 65 A HA 0.331 4.651 4.320 0.000 0.000 0.208 65 A C 0.017 177.644 177.584 0.071 0.000 1.250 65 A CA -0.152 51.912 52.037 0.044 0.000 0.935 65 A CB 0.552 19.578 19.000 0.044 0.000 0.982 65 A HN 0.229 nan 8.150 nan 0.000 0.490 66 L N 1.431 122.741 121.223 0.146 0.000 2.337 66 L HA 0.320 4.660 4.340 0.000 0.000 0.269 66 L C -0.420 176.574 176.870 0.207 0.000 1.018 66 L CA -0.679 54.264 54.840 0.172 0.000 0.876 66 L CB 1.202 43.393 42.059 0.220 0.000 1.236 66 L HN 0.295 nan 8.230 nan 0.000 0.436 67 K N -0.419 120.046 120.400 0.108 0.000 3.001 67 K HA 0.336 4.657 4.320 0.000 0.000 0.257 67 K C -0.775 175.879 176.600 0.090 0.000 1.290 67 K CA -0.293 56.048 56.287 0.089 0.000 1.252 67 K CB -0.142 32.381 32.500 0.039 0.000 1.656 67 K HN 0.313 nan 8.250 nan 0.000 0.351 68 D N 1.105 121.586 120.400 0.135 0.000 2.232 68 D HA 0.002 4.642 4.640 0.000 0.000 0.242 68 D C 0.192 176.566 176.300 0.123 0.000 1.093 68 D CA -0.381 53.671 54.000 0.088 0.000 0.845 68 D CB 1.477 42.295 40.800 0.030 0.000 1.124 68 D HN 0.398 nan 8.370 nan 0.000 0.467 69 D N 2.270 122.716 120.400 0.077 0.000 2.110 69 D HA -0.177 4.463 4.640 0.000 0.000 0.202 69 D C 1.154 177.498 176.300 0.073 0.000 0.975 69 D CA 0.658 54.706 54.000 0.080 0.000 0.839 69 D CB 0.122 40.952 40.800 0.050 0.000 0.996 69 D HN 0.294 nan 8.370 nan 0.000 0.464 70 N N 0.006 118.728 118.700 0.037 0.000 2.617 70 N HA -0.017 4.723 4.740 0.000 0.000 0.198 70 N C -0.346 175.158 175.510 -0.010 0.000 1.317 70 N CA 0.114 53.175 53.050 0.017 0.000 0.892 70 N CB -0.454 38.029 38.487 -0.007 0.000 1.041 70 N HN 0.237 nan 8.380 nan 0.000 0.450 71 L N 0.489 121.713 121.223 0.002 0.000 2.295 71 L HA 0.300 4.640 4.340 0.000 0.000 0.285 71 L C 0.091 176.941 176.870 -0.034 0.000 1.035 71 L CA -0.608 54.167 54.840 -0.108 0.000 0.806 71 L CB 1.343 43.240 42.059 -0.269 0.000 1.214 71 L HN 0.179 nan 8.230 nan 0.000 0.426 72 N N 3.293 121.939 118.700 -0.090 0.000 2.546 72 N HA 0.183 4.923 4.740 0.000 0.000 0.238 72 N C -1.355 174.140 175.510 -0.024 0.000 0.984 72 N CA -0.684 52.378 53.050 0.021 0.000 0.935 72 N CB 0.696 39.205 38.487 0.038 0.000 1.122 72 N HN 0.370 nan 8.380 nan 0.000 0.510 73 W N 3.447 124.740 121.300 -0.011 0.000 2.368 73 W HA 0.250 4.910 4.660 0.000 0.000 0.316 73 W C -0.087 176.520 176.519 0.147 0.000 1.375 73 W CA -0.475 56.917 57.345 0.079 0.000 1.261 73 W CB 0.565 30.003 29.460 -0.036 0.000 1.298 73 W HN 0.060 nan 8.180 nan 0.000 0.539 74 V N 6.534 126.645 119.914 0.329 0.000 2.326 74 V HA 0.183 4.303 4.120 0.000 0.000 0.281 74 V C -0.161 175.948 176.094 0.025 0.000 1.015 74 V CA -1.179 61.193 62.300 0.119 0.000 0.823 74 V CB 0.773 32.548 31.823 -0.080 0.000 1.009 74 V HN 0.363 nan 8.190 nan 0.000 0.436 75 L N 4.325 125.486 121.223 -0.103 0.000 2.426 75 L HA 0.332 4.672 4.340 0.000 0.000 0.271 75 L C 0.273 176.982 176.870 -0.268 0.000 1.169 75 L CA 0.883 55.419 54.840 -0.507 0.000 0.836 75 L CB 0.707 42.564 42.059 -0.335 0.000 1.112 75 L HN 0.805 nan 8.230 nan 0.000 0.465 76 Q N 4.164 123.793 119.800 -0.285 0.000 2.907 76 Q HA 0.343 4.683 4.340 0.000 0.000 0.262 76 Q C 0.700 176.667 176.000 -0.055 0.000 0.997 76 Q CA 0.130 55.877 55.803 -0.092 0.000 0.797 76 Q CB 1.121 29.844 28.738 -0.026 0.000 1.228 76 Q HN 1.011 nan 8.270 nan 0.000 0.466 77 A N 3.085 125.879 122.820 -0.043 0.000 1.971 77 A HA -0.194 4.126 4.320 0.000 0.000 0.222 77 A C 0.335 177.930 177.584 0.019 0.000 1.182 77 A CA 1.482 53.511 52.037 -0.015 0.000 0.649 77 A CB 0.059 19.058 19.000 -0.000 0.000 0.818 77 A HN 0.684 nan 8.150 nan 0.000 0.458 78 E N -0.625 119.604 120.200 0.048 0.000 2.216 78 E HA 0.402 4.752 4.350 0.000 0.000 0.260 78 E C -1.312 175.295 176.600 0.012 0.000 0.880 78 E CA -0.462 55.945 56.400 0.012 0.000 0.765 78 E CB 1.279 30.955 29.700 -0.040 0.000 1.174 78 E HN 0.290 nan 8.360 nan 0.000 0.417 79 Q N 2.588 122.398 119.800 0.017 0.000 2.641 79 Q HA 0.138 4.478 4.340 0.000 0.000 0.225 79 Q C 0.122 176.122 176.000 -0.001 0.000 1.309 79 Q CA 0.296 56.120 55.803 0.035 0.000 0.935 79 Q CB 0.039 28.791 28.738 0.024 0.000 1.557 79 Q HN 0.542 nan 8.270 nan 0.000 0.563 80 L N 0.448 121.647 121.223 -0.040 0.000 2.728 80 L HA 0.444 4.784 4.340 0.000 0.000 0.235 80 L C 0.675 177.639 176.870 0.157 0.000 1.197 80 L CA -0.371 54.451 54.840 -0.030 0.000 0.992 80 L CB -0.434 41.485 42.059 -0.233 0.000 1.263 80 L HN 0.662 nan 8.230 nan 0.000 0.484 81 G N -0.383 108.515 108.800 0.163 0.000 2.406 81 G HA2 -0.170 3.790 3.960 0.000 0.000 0.680 81 G HA3 -0.170 3.790 3.960 0.000 0.000 0.680 81 G C 0.444 175.471 174.900 0.211 0.000 1.338 81 G CA -0.228 44.998 45.100 0.209 0.000 0.941 81 G HN 0.103 nan 8.290 nan 0.000 0.633 82 T N -1.728 112.930 114.554 0.173 0.000 2.788 82 T HA 0.086 4.436 4.350 0.000 0.000 0.268 82 T C 2.551 177.370 174.700 0.198 0.000 1.044 82 T CA 2.248 64.427 62.100 0.131 0.000 1.139 82 T CB -0.480 68.446 68.868 0.097 0.000 0.867 82 T HN 1.808 nan 8.240 nan 0.000 0.454 83 G N 0.885 109.842 108.800 0.261 0.000 2.421 83 G HA2 -0.274 3.686 3.960 0.000 0.000 0.216 83 G HA3 -0.274 3.686 3.960 0.000 0.000 0.216 83 G C 1.554 176.556 174.900 0.170 0.000 1.171 83 G CA 0.822 46.072 45.100 0.248 0.000 0.775 83 G HN 0.663 nan 8.290 nan 0.000 0.543 84 H N 1.357 120.494 119.070 0.111 0.000 2.387 84 H HA 0.030 4.586 4.556 0.000 0.000 0.299 84 H C 2.698 178.023 175.328 -0.005 0.000 1.090 84 H CA 1.490 57.521 56.048 -0.029 0.000 1.332 84 H CB -0.169 29.594 29.762 0.001 0.000 1.386 84 H HN 0.288 nan 8.280 nan 0.000 0.516 85 A N 1.403 124.271 122.820 0.080 0.000 1.902 85 A HA -0.156 4.164 4.320 0.000 0.000 0.217 85 A C 2.588 180.160 177.584 -0.020 0.000 1.181 85 A CA 1.605 53.660 52.037 0.029 0.000 0.623 85 A CB -0.536 18.511 19.000 0.079 0.000 0.818 85 A HN 0.353 nan 8.150 nan 0.000 0.443 86 M N -0.509 119.119 119.600 0.046 0.000 2.229 86 M HA -0.157 4.323 4.480 0.000 0.000 0.264 86 M C 2.166 178.438 176.300 -0.047 0.000 1.063 86 M CA 1.337 56.692 55.300 0.091 0.000 1.114 86 M CB -1.179 31.547 32.600 0.210 0.000 1.387 86 M HN 0.551 nan 8.290 nan 0.000 0.420 87 Q N -0.287 119.438 119.800 -0.126 0.000 2.291 87 Q HA -0.181 4.159 4.340 0.000 0.000 0.206 87 Q C 1.921 177.755 176.000 -0.277 0.000 0.976 87 Q CA 0.896 56.570 55.803 -0.215 0.000 0.875 87 Q CB -0.005 28.567 28.738 -0.276 0.000 0.927 87 Q HN 0.509 nan 8.270 nan 0.000 0.450 88 Q N -0.406 119.233 119.800 -0.269 0.000 2.172 88 Q HA -0.013 4.327 4.340 0.000 0.000 0.200 88 Q C 1.720 177.624 176.000 -0.159 0.000 0.964 88 Q CA 1.313 56.990 55.803 -0.209 0.000 0.855 88 Q CB -0.098 28.538 28.738 -0.169 0.000 0.918 88 Q HN 0.365 nan 8.270 nan 0.000 0.444 89 A N 0.635 123.312 122.820 -0.239 0.000 2.081 89 A HA 0.292 4.612 4.320 0.000 0.000 0.214 89 A C 2.267 179.342 177.584 -0.847 0.000 1.158 89 A CA 0.932 52.767 52.037 -0.337 0.000 0.724 89 A CB -0.324 18.552 19.000 -0.206 0.000 0.826 89 A HN 0.269 nan 8.150 nan 0.000 0.463 90 A N 1.308 123.522 122.820 -1.009 0.000 1.929 90 A HA -0.184 4.136 4.320 0.000 0.000 0.221 90 A C 0.170 177.338 177.584 -0.692 0.000 1.211 90 A CA 2.326 53.670 52.037 -1.156 0.000 0.657 90 A CB -1.873 16.846 19.000 -0.468 0.000 0.827 90 A HN 0.437 nan 8.150 nan 0.000 0.462 91 P HA -0.153 nan 4.420 nan 0.000 0.217 91 P C 0.562 177.547 177.300 -0.526 0.000 1.148 91 P CA 1.117 63.930 63.100 -0.479 0.000 0.834 91 P CB -0.184 31.154 31.700 -0.603 0.000 0.783 92 F N -2.964 116.795 119.950 -0.318 0.000 2.692 92 F HA 0.216 4.743 4.527 0.000 0.000 0.303 92 F C 0.802 176.708 175.800 0.178 0.000 1.114 92 F CA -0.410 57.503 58.000 -0.145 0.000 1.361 92 F CB -0.929 37.871 39.000 -0.333 0.000 1.063 92 F HN -0.169 nan 8.300 nan 0.000 0.550 93 F N 1.499 121.506 119.950 0.095 0.000 2.413 93 F HA 0.495 5.022 4.527 0.000 0.000 0.359 93 F C 0.920 176.758 175.800 0.064 0.000 1.122 93 F CA -1.340 56.722 58.000 0.102 0.000 1.160 93 F CB 0.339 39.372 39.000 0.056 0.000 1.146 93 F HN -0.076 nan 8.300 nan 0.000 0.514 94 A N 3.412 126.398 122.820 0.276 0.000 2.425 94 A HA 0.057 4.377 4.320 0.000 0.000 0.242 94 A C 0.977 178.621 177.584 0.099 0.000 1.077 94 A CA -0.460 51.671 52.037 0.158 0.000 0.781 94 A CB 0.294 19.384 19.000 0.151 0.000 1.020 94 A HN 0.802 nan 8.150 nan 0.000 0.494 95 D N 0.410 120.843 120.400 0.056 0.000 2.317 95 D HA -0.098 4.542 4.640 0.000 0.000 0.211 95 D C 0.091 176.394 176.300 0.003 0.000 0.966 95 D CA 1.251 55.261 54.000 0.017 0.000 0.876 95 D CB 0.120 40.921 40.800 0.001 0.000 0.927 95 D HN 0.762 nan 8.370 nan 0.000 0.519 96 D N 0.640 121.051 120.400 0.017 0.000 2.398 96 D HA -0.033 4.607 4.640 0.000 0.000 0.210 96 D C 0.474 176.778 176.300 0.008 0.000 1.094 96 D CA -0.041 53.965 54.000 0.009 0.000 0.839 96 D CB -0.158 40.650 40.800 0.013 0.000 0.963 96 D HN 0.390 nan 8.370 nan 0.000 0.506 97 E N 0.109 120.317 120.200 0.013 0.000 2.244 97 E HA 0.350 4.700 4.350 0.000 0.000 0.266 97 E C -1.001 175.582 176.600 -0.029 0.000 0.914 97 E CA -0.888 55.513 56.400 0.002 0.000 0.794 97 E CB 1.507 31.224 29.700 0.029 0.000 1.210 97 E HN -0.271 nan 8.360 nan 0.000 0.414 98 D N 1.816 122.194 120.400 -0.038 0.000 2.345 98 D HA 0.212 4.852 4.640 0.000 0.000 0.247 98 D C -0.219 176.021 176.300 -0.101 0.000 1.108 98 D CA -0.053 53.912 54.000 -0.058 0.000 0.894 98 D CB 0.988 41.765 40.800 -0.039 0.000 1.203 98 D HN 0.340 nan 8.370 nan 0.000 0.430 99 I N 3.126 123.602 120.570 -0.156 0.000 2.354 99 I HA 0.132 4.302 4.170 0.000 0.000 0.286 99 I C -0.135 175.893 176.117 -0.148 0.000 1.007 99 I CA -0.761 60.383 61.300 -0.259 0.000 1.167 99 I CB 1.000 38.637 38.000 -0.605 0.000 1.320 99 I HN 0.131 nan 8.210 nan 0.000 0.458 100 L N 8.088 129.252 121.223 -0.100 0.000 2.264 100 L HA 0.489 4.829 4.340 0.000 0.000 0.289 100 L C -0.295 176.558 176.870 -0.027 0.000 1.044 100 L CA -0.003 54.804 54.840 -0.055 0.000 0.807 100 L CB 1.084 43.116 42.059 -0.044 0.000 1.192 100 L HN 0.621 nan 8.230 nan 0.000 0.425 101 M N 6.395 125.987 119.600 -0.014 0.000 2.129 101 M HA 0.494 4.974 4.480 0.000 0.000 0.348 101 M C -1.739 174.552 176.300 -0.016 0.000 1.116 101 M CA -0.360 54.959 55.300 0.032 0.000 1.022 101 M CB 0.669 33.310 32.600 0.068 0.000 1.599 101 M HN 0.594 nan 8.290 nan 0.000 0.449 102 L N 5.114 126.364 121.223 0.046 0.000 2.342 102 L HA 0.530 4.870 4.340 0.000 0.000 0.271 102 L C -1.209 175.799 176.870 0.230 0.000 1.008 102 L CA -0.875 53.987 54.840 0.037 0.000 0.818 102 L CB 2.016 44.095 42.059 0.034 0.000 1.296 102 L HN 0.661 nan 8.230 nan 0.000 0.427 103 Y N -0.190 120.126 120.300 0.026 0.000 2.361 103 Y HA 0.183 4.733 4.550 0.000 0.000 0.332 103 Y C 1.257 177.171 175.900 0.022 0.000 1.101 103 Y CA -0.875 57.241 58.100 0.028 0.000 1.137 103 Y CB 2.108 40.584 38.460 0.027 0.000 1.207 103 Y HN 0.793 nan 8.280 nan 0.000 0.463 104 G N 0.700 109.599 108.800 0.166 0.000 2.848 104 G HA2 -0.177 3.783 3.960 0.000 0.000 0.208 104 G HA3 -0.177 3.783 3.960 0.000 0.000 0.208 104 G C 0.543 175.494 174.900 0.084 0.000 1.152 104 G CA 0.388 45.546 45.100 0.097 0.000 0.789 104 G HN 0.767 nan 8.290 nan 0.000 0.531 105 D N -0.180 120.276 120.400 0.094 0.000 2.440 105 D HA 0.063 4.703 4.640 0.000 0.000 0.216 105 D C 0.303 176.651 176.300 0.080 0.000 1.150 105 D CA -0.204 53.832 54.000 0.060 0.000 0.832 105 D CB 0.287 41.092 40.800 0.009 0.000 0.992 105 D HN 0.065 nan 8.370 nan 0.000 0.502 106 V N 2.814 122.793 119.914 0.108 0.000 2.271 106 V HA 0.168 4.288 4.120 0.000 0.000 0.259 106 V C -1.310 174.802 176.094 0.031 0.000 1.030 106 V CA -1.148 61.200 62.300 0.079 0.000 0.957 106 V CB 1.238 33.121 31.823 0.100 0.000 1.186 106 V HN -0.010 nan 8.190 nan 0.000 0.471 107 P HA -0.150 nan 4.420 nan 0.000 0.213 107 P C 1.447 178.665 177.300 -0.136 0.000 1.170 107 P CA 1.336 64.398 63.100 -0.062 0.000 0.898 107 P CB 0.452 32.067 31.700 -0.142 0.000 0.787 108 L N -0.911 120.189 121.223 -0.205 0.000 2.700 108 L HA -0.011 4.329 4.340 0.000 0.000 0.240 108 L C 1.439 178.270 176.870 -0.065 0.000 1.162 108 L CA -0.431 54.298 54.840 -0.185 0.000 0.874 108 L CB -1.112 40.847 42.059 -0.166 0.000 1.001 108 L HN 0.008 nan 8.230 nan 0.000 0.447 109 I N 0.753 121.300 120.570 -0.039 0.000 2.741 109 I HA -0.091 4.079 4.170 0.000 0.000 0.288 109 I C 0.987 177.103 176.117 -0.002 0.000 1.192 109 I CA 0.154 61.444 61.300 -0.016 0.000 1.426 109 I CB 0.638 38.629 38.000 -0.015 0.000 1.367 109 I HN 0.137 nan 8.210 nan 0.000 0.563 110 S N 5.793 121.496 115.700 0.004 0.000 2.616 110 S HA 0.351 4.821 4.470 0.000 0.000 0.277 110 S C 1.128 175.733 174.600 0.009 0.000 1.234 110 S CA -0.527 57.682 58.200 0.016 0.000 1.028 110 S CB 1.590 64.803 63.200 0.022 0.000 0.988 110 S HN 0.522 nan 8.310 nan 0.000 0.522 111 V N 2.175 122.098 119.914 0.014 0.000 2.287 111 V HA -0.163 3.957 4.120 0.000 0.000 0.248 111 V C 2.573 178.668 176.094 0.002 0.000 1.053 111 V CA 2.432 64.736 62.300 0.006 0.000 1.027 111 V CB -1.354 30.475 31.823 0.010 0.000 0.646 111 V HN 0.892 nan 8.190 nan 0.000 0.447 112 E N 0.521 120.725 120.200 0.006 0.000 2.026 112 E HA -0.233 4.117 4.350 0.000 0.000 0.206 112 E C 2.309 178.908 176.600 -0.001 0.000 1.028 112 E CA 2.294 58.696 56.400 0.003 0.000 0.845 112 E CB -1.215 28.489 29.700 0.008 0.000 0.772 112 E HN 0.591 nan 8.360 nan 0.000 0.462 113 T N 1.271 115.824 114.554 -0.001 0.000 2.685 113 T HA -0.203 4.147 4.350 0.000 0.000 0.268 113 T C 1.912 176.602 174.700 -0.017 0.000 1.034 113 T CA 1.403 63.498 62.100 -0.008 0.000 1.149 113 T CB -0.365 68.498 68.868 -0.008 0.000 0.860 113 T HN 0.049 nan 8.240 nan 0.000 0.449 114 L N 0.546 121.759 121.223 -0.017 0.000 2.005 114 L HA -0.120 4.220 4.340 0.000 0.000 0.207 114 L C 3.089 179.947 176.870 -0.021 0.000 1.072 114 L CA 1.165 55.991 54.840 -0.023 0.000 0.744 114 L CB -0.598 41.448 42.059 -0.021 0.000 0.895 114 L HN 0.196 nan 8.230 nan 0.000 0.433 115 Q N 0.115 119.906 119.800 -0.016 0.000 2.152 115 Q HA -0.230 4.110 4.340 0.000 0.000 0.206 115 Q C 2.290 178.281 176.000 -0.014 0.000 0.985 115 Q CA 1.572 57.367 55.803 -0.015 0.000 0.863 115 Q CB -0.332 28.399 28.738 -0.010 0.000 0.904 115 Q HN 0.496 nan 8.270 nan 0.000 0.422 116 R N 0.043 120.535 120.500 -0.013 0.000 2.092 116 R HA -0.105 4.235 4.340 0.000 0.000 0.231 116 R C 2.319 178.607 176.300 -0.020 0.000 1.119 116 R CA 0.763 56.855 56.100 -0.013 0.000 0.970 116 R CB -0.282 30.012 30.300 -0.009 0.000 0.864 116 R HN 0.130 nan 8.270 nan 0.000 0.440 117 L N 1.096 122.303 121.223 -0.027 0.000 2.056 117 L HA -0.119 4.221 4.340 0.000 0.000 0.207 117 L C 2.336 179.190 176.870 -0.028 0.000 1.078 117 L CA 1.676 56.495 54.840 -0.036 0.000 0.749 117 L CB -0.410 41.623 42.059 -0.045 0.000 0.901 117 L HN -0.010 nan 8.230 nan 0.000 0.433 118 R N -0.660 119.826 120.500 -0.024 0.000 2.096 118 R HA -0.166 4.174 4.340 0.000 0.000 0.235 118 R C 1.488 177.779 176.300 -0.015 0.000 1.127 118 R CA 1.821 57.908 56.100 -0.021 0.000 0.968 118 R CB -0.265 30.022 30.300 -0.022 0.000 0.861 118 R HN 0.437 nan 8.270 nan 0.000 0.440 119 D N -0.185 120.207 120.400 -0.014 0.000 2.289 119 D HA -0.016 4.624 4.640 0.000 0.000 0.207 119 D C 1.282 177.577 176.300 -0.008 0.000 0.966 119 D CA 1.018 55.013 54.000 -0.009 0.000 0.868 119 D CB 0.251 41.047 40.800 -0.008 0.000 0.943 119 D HN 0.372 nan 8.370 nan 0.000 0.514 120 A N 0.422 123.234 122.820 -0.013 0.000 2.218 120 A HA -0.044 4.276 4.320 0.000 0.000 0.209 120 A C 1.286 178.866 177.584 -0.008 0.000 1.168 120 A CA -0.027 52.002 52.037 -0.013 0.000 0.804 120 A CB -0.185 18.800 19.000 -0.025 0.000 0.834 120 A HN -0.093 nan 8.150 nan 0.000 0.482 121 K N 2.388 122.785 120.400 -0.005 0.000 2.361 121 K HA 0.094 4.414 4.320 0.000 0.000 0.283 121 K C -2.306 174.305 176.600 0.018 0.000 1.078 121 K CA -1.343 54.949 56.287 0.008 0.000 1.041 121 K CB 0.391 32.897 32.500 0.010 0.000 0.932 121 K HN 0.228 nan 8.250 nan 0.000 0.462 122 P HA -0.032 nan 4.420 nan 0.000 0.272 122 P C -0.510 176.816 177.300 0.043 0.000 1.230 122 P CA -0.323 62.797 63.100 0.032 0.000 0.788 122 P CB 0.606 32.328 31.700 0.036 0.000 0.949 123 Q N 0.895 120.716 119.800 0.036 0.000 2.300 123 Q HA 0.151 4.491 4.340 0.000 0.000 0.280 123 Q C 1.426 177.459 176.000 0.055 0.000 1.033 123 Q CA 1.499 57.323 55.803 0.036 0.000 0.903 123 Q CB -0.396 28.357 28.738 0.025 0.000 1.195 123 Q HN 0.862 nan 8.270 nan 0.000 0.386 124 G N 2.931 111.766 108.800 0.058 0.000 2.212 124 G HA2 -0.270 3.690 3.960 0.000 0.000 0.267 124 G HA3 -0.270 3.690 3.960 0.000 0.000 0.267 124 G C 0.398 175.403 174.900 0.175 0.000 1.002 124 G CA 0.656 45.806 45.100 0.084 0.000 0.729 124 G HN 0.880 nan 8.290 nan 0.000 0.517 125 G N -1.358 107.543 108.800 0.168 0.000 3.209 125 G HA2 0.776 4.736 3.960 0.000 0.000 0.236 125 G HA3 0.776 4.736 3.960 0.000 0.000 0.236 125 G C -0.608 174.419 174.900 0.212 0.000 1.329 125 G CA -0.928 44.289 45.100 0.196 0.000 1.015 125 G HN 0.593 nan 8.290 nan 0.000 0.571 126 I N -0.092 120.547 120.570 0.115 0.000 2.608 126 I HA 0.510 4.680 4.170 0.000 0.000 0.295 126 I C 0.103 176.232 176.117 0.020 0.000 1.049 126 I CA -0.982 60.365 61.300 0.078 0.000 1.063 126 I CB 2.598 40.592 38.000 -0.010 0.000 1.248 126 I HN 0.570 nan 8.210 nan 0.000 0.424 127 G N 5.637 114.442 108.800 0.009 0.000 2.547 127 G HA2 0.548 4.508 3.960 0.000 0.000 0.327 127 G HA3 0.548 4.508 3.960 0.000 0.000 0.327 127 G C -1.256 173.616 174.900 -0.048 0.000 1.118 127 G CA -0.269 44.817 45.100 -0.023 0.000 1.022 127 G HN 0.339 nan 8.290 nan 0.000 0.464 128 L N 3.343 124.523 121.223 -0.072 0.000 2.272 128 L HA 0.607 4.947 4.340 0.000 0.000 0.289 128 L C -0.461 176.334 176.870 -0.125 0.000 1.032 128 L CA -1.068 53.717 54.840 -0.092 0.000 0.810 128 L CB 1.658 43.662 42.059 -0.092 0.000 1.205 128 L HN 0.359 nan 8.230 nan 0.000 0.422 129 L N 5.606 126.755 121.223 -0.123 0.000 2.278 129 L HA 0.593 4.933 4.340 0.000 0.000 0.287 129 L C 0.133 176.920 176.870 -0.138 0.000 1.072 129 L CA 0.544 55.301 54.840 -0.139 0.000 0.819 129 L CB 0.800 42.792 42.059 -0.111 0.000 1.176 129 L HN 0.885 nan 8.230 nan 0.000 0.435 130 T N 2.427 116.874 114.554 -0.178 0.000 2.901 130 T HA 0.821 5.171 4.350 0.000 0.000 0.293 130 T C -0.940 173.776 174.700 0.025 0.000 1.084 130 T CA -0.691 61.346 62.100 -0.104 0.000 1.008 130 T CB 1.736 70.545 68.868 -0.100 0.000 1.170 130 T HN 0.578 nan 8.240 nan 0.000 0.509 131 V N 0.138 120.081 119.914 0.049 0.000 3.204 131 V HA 0.637 4.757 4.120 0.000 0.000 0.298 131 V C -1.564 174.519 176.094 -0.019 0.000 1.328 131 V CA -1.030 61.323 62.300 0.088 0.000 1.035 131 V CB 2.371 34.197 31.823 0.004 0.000 1.095 131 V HN 1.181 nan 8.190 nan 0.000 0.442 132 K N 3.714 124.088 120.400 -0.043 0.000 2.156 132 K HA 0.729 5.049 4.320 0.000 0.000 0.271 132 K C -1.444 175.105 176.600 -0.086 0.000 0.995 132 K CA -0.541 55.706 56.287 -0.066 0.000 0.890 132 K CB 1.157 33.616 32.500 -0.069 0.000 1.073 132 K HN 0.600 nan 8.250 nan 0.000 0.454 133 L N 2.930 124.099 121.223 -0.090 0.000 2.381 133 L HA 0.244 4.584 4.340 0.000 0.000 0.268 133 L C 0.581 177.423 176.870 -0.046 0.000 0.997 133 L CA -0.897 53.891 54.840 -0.087 0.000 0.818 133 L CB 1.905 43.879 42.059 -0.143 0.000 1.310 133 L HN 0.698 nan 8.230 nan 0.000 0.416 134 D N 0.530 120.911 120.400 -0.031 0.000 2.144 134 D HA -0.125 4.515 4.640 0.000 0.000 0.199 134 D C 0.257 176.557 176.300 -0.000 0.000 0.984 134 D CA 1.743 55.735 54.000 -0.014 0.000 0.834 134 D CB 0.328 41.122 40.800 -0.009 0.000 0.955 134 D HN 0.494 nan 8.370 nan 0.000 0.465 135 D N -0.271 120.132 120.400 0.006 0.000 2.438 135 D HA 0.120 4.760 4.640 0.000 0.000 0.257 135 D C -2.025 174.306 176.300 0.051 0.000 1.148 135 D CA -1.839 52.178 54.000 0.027 0.000 0.902 135 D CB 1.482 42.300 40.800 0.030 0.000 1.062 135 D HN -0.081 nan 8.370 nan 0.000 0.518 136 P HA 0.038 nan 4.420 nan 0.000 0.249 136 P C 0.004 177.390 177.300 0.144 0.000 1.241 136 P CA -0.129 63.029 63.100 0.098 0.000 0.781 136 P CB -0.033 31.700 31.700 0.056 0.000 1.088 137 T N 0.733 115.310 114.554 0.039 0.000 2.905 137 T HA 0.270 4.620 4.350 0.000 0.000 0.299 137 T C 1.549 176.034 174.700 -0.358 0.000 1.024 137 T CA 1.584 63.560 62.100 -0.206 0.000 1.151 137 T CB -0.042 68.735 68.868 -0.151 0.000 0.987 137 T HN 0.379 nan 8.240 nan 0.000 0.535 138 G N 2.396 110.688 108.800 -0.846 0.000 2.284 138 G HA2 -0.252 3.708 3.960 0.000 0.000 0.247 138 G HA3 -0.252 3.708 3.960 0.000 0.000 0.247 138 G C 0.014 174.721 174.900 -0.322 0.000 1.012 138 G CA -0.170 44.602 45.100 -0.547 0.000 0.618 138 G HN 0.695 nan 8.290 nan 0.000 0.521 139 Y N 1.176 121.398 120.300 -0.130 0.000 2.335 139 Y HA 0.520 5.070 4.550 0.000 0.000 0.323 139 Y C 1.384 177.281 175.900 -0.004 0.000 1.224 139 Y CA 0.057 58.129 58.100 -0.047 0.000 1.241 139 Y CB 1.253 39.692 38.460 -0.036 0.000 1.235 139 Y HN 0.288 nan 8.280 nan 0.000 0.492 140 G N 2.322 111.220 108.800 0.164 0.000 2.406 140 G HA2 0.371 4.331 3.960 0.000 0.000 0.251 140 G HA3 0.371 4.331 3.960 0.000 0.000 0.251 140 G C -0.483 174.464 174.900 0.079 0.000 1.271 140 G CA -0.588 44.558 45.100 0.077 0.000 0.859 140 G HN 0.431 nan 8.290 nan 0.000 0.540 141 R N 0.500 121.033 120.500 0.056 0.000 2.459 141 R HA 0.367 4.707 4.340 0.000 0.000 0.281 141 R C 0.428 176.729 176.300 0.002 0.000 1.050 141 R CA -0.705 55.416 56.100 0.034 0.000 1.055 141 R CB 0.846 31.168 30.300 0.036 0.000 1.045 141 R HN 0.307 nan 8.270 nan 0.000 0.495 142 I N 2.564 123.127 120.570 -0.012 0.000 2.315 142 I HA 0.203 4.373 4.170 0.000 0.000 0.291 142 I C 0.450 176.542 176.117 -0.042 0.000 1.006 142 I CA -0.325 60.955 61.300 -0.034 0.000 1.265 142 I CB 1.028 39.007 38.000 -0.035 0.000 1.387 142 I HN 0.650 nan 8.210 nan 0.000 0.475 143 T N 5.111 119.626 114.554 -0.066 0.000 2.902 143 T HA 0.748 5.098 4.350 0.000 0.000 0.283 143 T C -0.025 174.607 174.700 -0.113 0.000 1.009 143 T CA -0.883 61.170 62.100 -0.078 0.000 1.051 143 T CB 2.184 71.001 68.868 -0.084 0.000 0.999 143 T HN 0.574 nan 8.240 nan 0.000 0.474 144 R N 0.757 121.198 120.500 -0.099 0.000 2.740 144 R HA 0.531 4.871 4.340 0.000 0.000 0.273 144 R C -1.203 175.042 176.300 -0.091 0.000 0.998 144 R CA -0.895 55.139 56.100 -0.109 0.000 0.900 144 R CB 2.171 32.431 30.300 -0.066 0.000 1.223 144 R HN 0.649 nan 8.270 nan 0.000 0.466 145 E N 2.288 122.432 120.200 -0.093 0.000 2.343 145 E HA 0.172 4.522 4.350 0.000 0.000 0.260 145 E C -1.046 175.550 176.600 -0.007 0.000 0.908 145 E CA -0.464 55.912 56.400 -0.041 0.000 0.814 145 E CB 1.391 31.074 29.700 -0.028 0.000 1.302 145 E HN 0.575 nan 8.360 nan 0.000 0.408 146 N N 1.786 120.487 118.700 0.001 0.000 2.771 146 N HA -0.188 4.552 4.740 0.000 0.000 0.249 146 N C 0.717 176.232 175.510 0.009 0.000 1.069 146 N CA 1.125 54.182 53.050 0.012 0.000 0.688 146 N CB -1.108 37.397 38.487 0.030 0.000 0.928 146 N HN 0.986 nan 8.380 nan 0.000 0.551 147 G N -0.751 108.047 108.800 -0.002 0.000 2.186 147 G HA2 -0.365 3.595 3.960 0.000 0.000 0.266 147 G HA3 -0.365 3.595 3.960 0.000 0.000 0.266 147 G C 0.105 175.002 174.900 -0.006 0.000 0.982 147 G CA 1.254 46.353 45.100 -0.002 0.000 0.670 147 G HN 0.542 nan 8.290 nan 0.000 0.533 148 K N 0.068 120.459 120.400 -0.015 0.000 2.244 148 K HA 0.547 4.867 4.320 0.000 0.000 0.260 148 K C 0.436 176.973 176.600 -0.105 0.000 0.951 148 K CA -0.915 55.358 56.287 -0.023 0.000 0.826 148 K CB 2.453 34.977 32.500 0.040 0.000 1.108 148 K HN 0.020 nan 8.250 nan 0.000 0.433 149 V N 2.872 122.722 119.914 -0.107 0.000 2.599 149 V HA -0.051 4.069 4.120 0.000 0.000 0.300 149 V C 1.406 177.300 176.094 -0.332 0.000 1.034 149 V CA 0.590 62.792 62.300 -0.164 0.000 1.115 149 V CB 0.769 32.525 31.823 -0.112 0.000 0.934 149 V HN 1.055 nan 8.190 nan 0.000 0.485 150 T N 0.345 114.639 114.554 -0.433 0.000 2.955 150 T HA 0.552 4.902 4.350 0.000 0.000 0.251 150 T C 0.640 175.106 174.700 -0.390 0.000 1.002 150 T CA 0.442 62.074 62.100 -0.779 0.000 0.970 150 T CB 0.783 69.187 68.868 -0.773 0.000 1.091 150 T HN 1.256 nan 8.240 nan 0.000 0.495 151 G N 0.560 109.228 108.800 -0.221 0.000 2.321 151 G HA2 0.502 4.462 3.960 0.000 0.000 0.296 151 G HA3 0.502 4.462 3.960 0.000 0.000 0.296 151 G C -2.295 172.556 174.900 -0.081 0.000 1.287 151 G CA -0.994 44.032 45.100 -0.122 0.000 0.846 151 G HN 0.337 nan 8.290 nan 0.000 0.508 152 I N 0.342 120.886 120.570 -0.043 0.000 2.499 152 I HA 0.480 4.650 4.170 0.000 0.000 0.288 152 I C -0.587 175.528 176.117 -0.004 0.000 1.048 152 I CA -1.079 60.206 61.300 -0.025 0.000 1.062 152 I CB 2.305 40.293 38.000 -0.021 0.000 1.238 152 I HN 0.241 nan 8.210 nan 0.000 0.426 153 V N 5.395 125.307 119.914 -0.002 0.000 2.357 153 V HA 0.295 4.415 4.120 0.000 0.000 0.284 153 V C 0.266 176.361 176.094 0.001 0.000 1.018 153 V CA -0.835 61.472 62.300 0.012 0.000 0.841 153 V CB 1.254 33.083 31.823 0.010 0.000 0.991 153 V HN 0.590 nan 8.190 nan 0.000 0.437 154 E N 1.868 122.048 120.200 -0.032 0.000 2.436 154 E HA -0.033 4.317 4.350 0.000 0.000 0.262 154 E C 0.983 177.598 176.600 0.025 0.000 1.063 154 E CA 0.203 56.560 56.400 -0.072 0.000 0.944 154 E CB 0.644 30.193 29.700 -0.253 0.000 0.950 154 E HN 0.726 nan 8.360 nan 0.000 0.444 155 H N 2.829 121.873 119.070 -0.043 0.000 2.319 155 H HA -0.099 4.457 4.556 0.000 0.000 0.299 155 H C 1.419 176.745 175.328 -0.004 0.000 1.092 155 H CA 2.128 58.166 56.048 -0.015 0.000 1.302 155 H CB 0.414 30.162 29.762 -0.024 0.000 1.373 155 H HN 0.281 nan 8.280 nan 0.000 0.497 156 K N -0.052 120.363 120.400 0.024 0.000 2.147 156 K HA -0.113 4.207 4.320 0.000 0.000 0.205 156 K C 1.162 177.748 176.600 -0.022 0.000 1.049 156 K CA 1.451 57.732 56.287 -0.010 0.000 0.936 156 K CB 0.094 32.631 32.500 0.061 0.000 0.722 156 K HN 0.585 nan 8.250 nan 0.000 0.446 157 D N 0.554 120.964 120.400 0.016 0.000 2.354 157 D HA 0.051 4.691 4.640 0.000 0.000 0.209 157 D C 0.320 176.612 176.300 -0.013 0.000 1.015 157 D CA 0.073 54.090 54.000 0.028 0.000 0.867 157 D CB 0.388 41.253 40.800 0.108 0.000 0.933 157 D HN 0.060 nan 8.370 nan 0.000 0.520 158 A N 1.684 124.471 122.820 -0.055 0.000 2.401 158 A HA 0.345 4.665 4.320 0.000 0.000 0.259 158 A C 0.905 178.441 177.584 -0.080 0.000 1.103 158 A CA -0.325 51.676 52.037 -0.060 0.000 0.789 158 A CB 0.321 19.284 19.000 -0.062 0.000 1.035 158 A HN 0.116 nan 8.150 nan 0.000 0.491 159 T N -0.704 113.822 114.554 -0.047 0.000 2.788 159 T HA 0.452 4.802 4.350 0.000 0.000 0.287 159 T C 1.252 175.927 174.700 -0.042 0.000 1.007 159 T CA 0.468 62.542 62.100 -0.042 0.000 1.005 159 T CB 0.323 69.176 68.868 -0.024 0.000 1.012 159 T HN 0.913 nan 8.240 nan 0.000 0.530 160 D N 0.603 120.983 120.400 -0.034 0.000 2.157 160 D HA -0.221 4.419 4.640 0.000 0.000 0.191 160 D C 1.808 178.100 176.300 -0.012 0.000 1.004 160 D CA 2.250 56.236 54.000 -0.023 0.000 0.854 160 D CB -1.012 39.779 40.800 -0.015 0.000 0.936 160 D HN 0.901 nan 8.370 nan 0.000 0.446 161 E N -0.064 120.130 120.200 -0.011 0.000 2.046 161 E HA -0.077 4.273 4.350 0.000 0.000 0.190 161 E C 2.562 179.160 176.600 -0.003 0.000 0.982 161 E CA 1.065 57.462 56.400 -0.005 0.000 0.800 161 E CB -0.179 29.518 29.700 -0.006 0.000 0.756 161 E HN 0.635 nan 8.360 nan 0.000 0.449 162 Q N 0.474 120.269 119.800 -0.008 0.000 2.234 162 Q HA -0.137 4.203 4.340 0.000 0.000 0.206 162 Q C 1.996 178.002 176.000 0.010 0.000 0.980 162 Q CA 0.985 56.786 55.803 -0.003 0.000 0.869 162 Q CB -0.172 28.560 28.738 -0.009 0.000 0.912 162 Q HN 0.170 nan 8.270 nan 0.000 0.436 163 R N 0.377 120.880 120.500 0.006 0.000 2.280 163 R HA -0.063 4.277 4.340 0.000 0.000 0.207 163 R C 1.324 177.655 176.300 0.052 0.000 1.043 163 R CA 0.615 56.738 56.100 0.038 0.000 1.006 163 R CB 0.179 30.483 30.300 0.006 0.000 0.885 163 R HN 0.310 nan 8.270 nan 0.000 0.467 164 Q N 0.061 119.878 119.800 0.028 0.000 2.320 164 Q HA 0.167 4.507 4.340 0.000 0.000 0.201 164 Q C -0.358 175.653 176.000 0.018 0.000 0.910 164 Q CA 0.041 55.858 55.803 0.024 0.000 0.946 164 Q CB 0.572 29.318 28.738 0.013 0.000 1.062 164 Q HN 0.260 nan 8.270 nan 0.000 0.503 165 I N 1.264 121.847 120.570 0.021 0.000 2.337 165 I HA 0.012 4.182 4.170 0.000 0.000 0.291 165 I C 0.938 177.064 176.117 0.015 0.000 1.046 165 I CA 0.116 61.423 61.300 0.012 0.000 1.324 165 I CB 1.178 39.184 38.000 0.009 0.000 1.409 165 I HN 0.095 nan 8.210 nan 0.000 0.494 166 Q N 3.516 123.318 119.800 0.002 0.000 2.425 166 Q HA 0.021 4.361 4.340 0.000 0.000 0.204 166 Q C 0.420 176.406 176.000 -0.024 0.000 0.933 166 Q CA 0.276 56.074 55.803 -0.007 0.000 0.939 166 Q CB 0.351 29.080 28.738 -0.015 0.000 1.044 166 Q HN 0.558 nan 8.270 nan 0.000 0.513 167 E N 1.660 121.851 120.200 -0.015 0.000 2.105 167 E HA 0.179 4.529 4.350 0.000 0.000 0.285 167 E C -0.751 175.836 176.600 -0.022 0.000 1.055 167 E CA -0.465 55.926 56.400 -0.015 0.000 0.843 167 E CB 0.385 30.089 29.700 0.006 0.000 1.067 167 E HN 0.147 nan 8.360 nan 0.000 0.398 168 I N 1.514 122.050 120.570 -0.057 0.000 2.947 168 I HA 0.449 4.619 4.170 0.000 0.000 0.314 168 I C -0.250 175.833 176.117 -0.057 0.000 1.028 168 I CA -1.097 60.170 61.300 -0.056 0.000 1.077 168 I CB 1.132 39.053 38.000 -0.132 0.000 1.274 168 I HN 0.261 nan 8.210 nan 0.000 0.485 169 N N 0.899 119.595 118.700 -0.007 0.000 2.444 169 N HA 0.227 4.967 4.740 0.000 0.000 0.271 169 N C 0.781 176.294 175.510 0.005 0.000 1.069 169 N CA 0.178 53.222 53.050 -0.011 0.000 0.965 169 N CB 1.036 39.529 38.487 0.010 0.000 1.092 169 N HN 0.859 nan 8.380 nan 0.000 0.476 170 T N 0.689 115.210 114.554 -0.055 0.000 3.085 170 T HA 0.177 4.527 4.350 0.000 0.000 0.263 170 T C 1.364 176.011 174.700 -0.088 0.000 1.127 170 T CA 0.552 62.622 62.100 -0.050 0.000 1.103 170 T CB -0.465 68.352 68.868 -0.085 0.000 0.921 170 T HN 0.765 nan 8.240 nan 0.000 0.510 171 G N 1.123 109.823 108.800 -0.167 0.000 2.195 171 G HA2 -0.201 3.759 3.960 0.000 0.000 0.246 171 G HA3 -0.201 3.759 3.960 0.000 0.000 0.246 171 G C 0.009 174.481 174.900 -0.713 0.000 0.984 171 G CA 0.049 44.844 45.100 -0.508 0.000 0.633 171 G HN 0.641 nan 8.290 nan 0.000 0.525 172 I N 1.498 121.840 120.570 -0.381 0.000 2.336 172 I HA 0.657 4.827 4.170 0.000 0.000 0.292 172 I C 0.223 176.239 176.117 -0.168 0.000 0.991 172 I CA -1.024 60.111 61.300 -0.275 0.000 1.227 172 I CB 1.318 39.209 38.000 -0.183 0.000 1.366 172 I HN 0.328 nan 8.210 nan 0.000 0.466 173 L N 6.174 127.324 121.223 -0.122 0.000 2.622 173 L HA 0.713 5.053 4.340 0.000 0.000 0.258 173 L C -1.287 175.561 176.870 -0.036 0.000 0.996 173 L CA -0.645 54.154 54.840 -0.068 0.000 0.858 173 L CB 1.777 43.805 42.059 -0.051 0.000 1.449 173 L HN 0.525 nan 8.230 nan 0.000 0.411 174 I N 0.441 121.002 120.570 -0.016 0.000 2.865 174 I HA 0.973 5.143 4.170 0.000 0.000 0.302 174 I C -1.012 175.128 176.117 0.037 0.000 1.140 174 I CA -0.424 60.872 61.300 -0.006 0.000 1.021 174 I CB 2.033 40.020 38.000 -0.021 0.000 1.233 174 I HN 1.237 nan 8.210 nan 0.000 0.427 175 A N 5.291 128.134 122.820 0.038 0.000 2.566 175 A HA 0.324 4.644 4.320 0.000 0.000 0.290 175 A C -1.507 176.083 177.584 0.011 0.000 1.071 175 A CA -0.754 51.339 52.037 0.094 0.000 0.658 175 A CB 1.231 20.402 19.000 0.286 0.000 1.285 175 A HN 0.766 nan 8.150 nan 0.000 0.427 176 N N 0.184 118.885 118.700 0.001 0.000 2.492 176 N HA 0.158 4.898 4.740 0.000 0.000 0.260 176 N C 1.284 176.729 175.510 -0.108 0.000 1.215 176 N CA 0.683 53.698 53.050 -0.058 0.000 0.923 176 N CB 1.314 39.765 38.487 -0.060 0.000 1.092 176 N HN 0.848 nan 8.380 nan 0.000 0.448 177 G N 2.946 111.690 108.800 -0.093 0.000 2.459 177 G HA2 -0.295 3.665 3.960 0.000 0.000 0.217 177 G HA3 -0.295 3.665 3.960 0.000 0.000 0.217 177 G C 1.426 176.300 174.900 -0.045 0.000 1.183 177 G CA 1.210 46.272 45.100 -0.063 0.000 0.776 177 G HN 0.778 nan 8.290 nan 0.000 0.552 178 A N 1.278 124.050 122.820 -0.080 0.000 1.859 178 A HA -0.148 4.172 4.320 0.000 0.000 0.217 178 A C 2.115 179.542 177.584 -0.261 0.000 1.198 178 A CA 2.220 54.185 52.037 -0.119 0.000 0.629 178 A CB -0.695 18.241 19.000 -0.107 0.000 0.830 178 A HN 0.355 nan 8.150 nan 0.000 0.446 179 D N -0.984 119.168 120.400 -0.412 0.000 2.104 179 D HA -0.199 4.441 4.640 0.000 0.000 0.194 179 D C 1.857 177.503 176.300 -1.089 0.000 0.994 179 D CA 1.931 55.367 54.000 -0.940 0.000 0.830 179 D CB -0.370 39.773 40.800 -1.096 0.000 0.959 179 D HN 0.403 nan 8.370 nan 0.000 0.452 180 M N 1.527 120.833 119.600 -0.491 0.000 2.082 180 M HA -0.180 4.300 4.480 0.000 0.000 0.258 180 M C 1.801 178.127 176.300 0.044 0.000 1.069 180 M CA 1.668 56.940 55.300 -0.046 0.000 1.102 180 M CB -0.172 32.478 32.600 0.083 0.000 1.336 180 M HN -0.183 nan 8.290 nan 0.000 0.404 181 K N -0.814 119.600 120.400 0.023 0.000 2.097 181 K HA -0.155 4.165 4.320 0.000 0.000 0.206 181 K C 2.062 178.640 176.600 -0.037 0.000 1.049 181 K CA 1.596 57.905 56.287 0.036 0.000 0.933 181 K CB -0.228 32.286 32.500 0.022 0.000 0.717 181 K HN 0.445 nan 8.250 nan 0.000 0.442 182 R N -0.006 120.392 120.500 -0.169 0.000 2.070 182 R HA -0.126 4.214 4.340 0.000 0.000 0.233 182 R C 2.197 178.498 176.300 0.002 0.000 1.137 182 R CA 1.499 57.503 56.100 -0.159 0.000 0.945 182 R CB -0.258 29.846 30.300 -0.326 0.000 0.845 182 R HN 0.317 nan 8.270 nan 0.000 0.430 183 W N 1.093 122.429 121.300 0.061 0.000 2.425 183 W HA -0.024 4.636 4.660 0.000 0.000 0.277 183 W C 1.913 178.476 176.519 0.072 0.000 1.231 183 W CA 0.488 57.874 57.345 0.067 0.000 1.248 183 W CB -0.683 28.822 29.460 0.075 0.000 1.117 183 W HN 0.123 nan 8.180 nan 0.000 0.568 184 L N 0.136 121.519 121.223 0.268 0.000 2.156 184 L HA -0.093 4.247 4.340 0.000 0.000 0.208 184 L C 2.524 179.457 176.870 0.105 0.000 1.095 184 L CA 1.233 56.180 54.840 0.178 0.000 0.770 184 L CB -1.032 41.106 42.059 0.132 0.000 0.914 184 L HN -0.153 nan 8.230 nan 0.000 0.439 185 A N -0.219 122.649 122.820 0.081 0.000 2.168 185 A HA -0.118 4.202 4.320 0.000 0.000 0.215 185 A C 1.906 179.534 177.584 0.073 0.000 1.152 185 A CA 1.005 53.069 52.037 0.044 0.000 0.716 185 A CB -0.218 18.795 19.000 0.020 0.000 0.794 185 A HN 0.340 nan 8.150 nan 0.000 0.465 186 K N -0.410 120.062 120.400 0.121 0.000 2.372 186 K HA 0.336 4.656 4.320 0.000 0.000 0.200 186 K C -0.454 176.230 176.600 0.140 0.000 1.022 186 K CA -0.225 56.138 56.287 0.128 0.000 1.125 186 K CB 0.247 32.841 32.500 0.156 0.000 0.855 186 K HN 0.376 nan 8.250 nan 0.000 0.524 187 L N 1.784 123.100 121.223 0.156 0.000 2.397 187 L HA 0.156 4.496 4.340 0.000 0.000 0.271 187 L C 0.833 177.873 176.870 0.283 0.000 1.148 187 L CA -0.062 54.904 54.840 0.211 0.000 0.825 187 L CB 0.886 43.092 42.059 0.246 0.000 1.117 187 L HN 0.187 nan 8.230 nan 0.000 0.456 188 T N -1.940 112.764 114.554 0.250 0.000 2.645 188 T HA 0.365 4.715 4.350 0.000 0.000 0.273 188 T C -0.075 174.546 174.700 -0.130 0.000 0.960 188 T CA -0.779 61.426 62.100 0.174 0.000 1.051 188 T CB 1.600 70.500 68.868 0.053 0.000 1.366 188 T HN 0.642 nan 8.240 nan 0.000 0.536 189 N N -0.534 117.954 118.700 -0.353 0.000 2.466 189 N HA 0.129 4.869 4.740 0.000 0.000 0.272 189 N C -1.178 174.113 175.510 -0.366 0.000 1.455 189 N CA -0.537 52.165 53.050 -0.578 0.000 0.875 189 N CB -0.635 37.281 38.487 -0.952 0.000 1.372 189 N HN 0.471 nan 8.380 nan 0.000 0.492 190 N N 1.372 119.930 118.700 -0.238 0.000 3.124 190 N HA 0.113 4.853 4.740 0.000 0.000 0.284 190 N C -0.866 174.542 175.510 -0.169 0.000 1.209 190 N CA -0.269 52.684 53.050 -0.162 0.000 1.149 190 N CB 0.017 38.450 38.487 -0.091 0.000 1.434 190 N HN 0.586 nan 8.380 nan 0.000 0.529 191 N N -1.764 116.799 118.700 -0.229 0.000 2.902 191 N HA 0.492 5.232 4.740 0.000 0.000 0.268 191 N C 0.403 175.843 175.510 -0.118 0.000 1.450 191 N CA -0.979 51.959 53.050 -0.187 0.000 0.819 191 N CB 0.362 38.616 38.487 -0.388 0.000 1.540 191 N HN -0.076 nan 8.380 nan 0.000 0.545 192 A N -0.931 121.880 122.820 -0.016 0.000 2.131 192 A HA -0.174 4.146 4.320 0.000 0.000 0.220 192 A C 1.424 179.009 177.584 0.002 0.000 1.158 192 A CA 1.491 53.533 52.037 0.009 0.000 0.665 192 A CB -0.701 18.329 19.000 0.049 0.000 0.795 192 A HN 0.707 nan 8.150 nan 0.000 0.460 193 Q N -2.706 117.090 119.800 -0.007 0.000 2.246 193 Q HA 0.297 4.637 4.340 0.000 0.000 0.222 193 Q C 1.041 176.980 176.000 -0.102 0.000 0.851 193 Q CA 0.310 56.105 55.803 -0.013 0.000 0.945 193 Q CB 0.630 29.425 28.738 0.096 0.000 1.122 193 Q HN 0.821 nan 8.270 nan 0.000 0.508 194 G N 1.699 110.380 108.800 -0.197 0.000 2.168 194 G HA2 -0.293 3.667 3.960 0.000 0.000 0.257 194 G HA3 -0.293 3.667 3.960 0.000 0.000 0.257 194 G C -0.152 174.532 174.900 -0.360 0.000 0.997 194 G CA 0.573 45.518 45.100 -0.259 0.000 0.708 194 G HN 0.337 nan 8.290 nan 0.000 0.520 195 E N -1.364 118.614 120.200 -0.370 0.000 2.254 195 E HA 0.566 4.916 4.350 0.000 0.000 0.258 195 E C -0.751 175.554 176.600 -0.493 0.000 1.033 195 E CA -1.026 55.191 56.400 -0.305 0.000 0.893 195 E CB 0.792 30.498 29.700 0.010 0.000 1.204 195 E HN 0.254 nan 8.360 nan 0.000 0.425 196 Y N 0.808 121.097 120.300 -0.018 0.000 2.594 196 Y HA 0.164 4.714 4.550 0.000 0.000 0.342 196 Y C -0.468 175.549 175.900 0.195 0.000 1.010 196 Y CA -0.516 57.605 58.100 0.034 0.000 1.270 196 Y CB -0.047 38.479 38.460 0.110 0.000 1.125 196 Y HN 0.322 nan 8.280 nan 0.000 0.513 197 Y N 3.661 124.048 120.300 0.145 0.000 2.496 197 Y HA -0.054 4.496 4.550 0.000 0.000 0.334 197 Y C 1.465 177.455 175.900 0.150 0.000 1.080 197 Y CA -0.716 57.457 58.100 0.122 0.000 1.355 197 Y CB 0.686 39.190 38.460 0.074 0.000 1.193 197 Y HN 0.644 nan 8.280 nan 0.000 0.523 198 I N 3.162 123.917 120.570 0.308 0.000 2.493 198 I HA -0.237 3.933 4.170 0.000 0.000 0.254 198 I C 2.374 178.606 176.117 0.192 0.000 1.160 198 I CA 1.884 63.332 61.300 0.247 0.000 1.445 198 I CB -0.426 37.724 38.000 0.250 0.000 1.086 198 I HN 0.739 nan 8.210 nan 0.000 0.433 199 T N -2.940 111.715 114.554 0.167 0.000 3.025 199 T HA -0.133 4.217 4.350 0.000 0.000 0.270 199 T C 1.520 176.269 174.700 0.082 0.000 1.126 199 T CA 1.262 63.416 62.100 0.091 0.000 1.105 199 T CB -0.649 68.239 68.868 0.034 0.000 0.884 199 T HN 0.283 nan 8.240 nan 0.000 0.522 200 D N 1.535 122.020 120.400 0.143 0.000 2.312 200 D HA 0.048 4.688 4.640 0.000 0.000 0.211 200 D C 1.995 178.308 176.300 0.022 0.000 0.964 200 D CA 0.538 54.602 54.000 0.107 0.000 0.877 200 D CB -0.328 40.565 40.800 0.154 0.000 0.924 200 D HN 0.735 nan 8.370 nan 0.000 0.515 201 I N -2.239 118.334 120.570 0.006 0.000 2.454 201 I HA -0.182 3.988 4.170 0.000 0.000 0.254 201 I C 1.666 177.551 176.117 -0.387 0.000 1.156 201 I CA 0.621 61.828 61.300 -0.154 0.000 1.433 201 I CB -0.208 37.780 38.000 -0.021 0.000 1.082 201 I HN -0.165 nan 8.210 nan 0.000 0.432 202 I N 2.717 123.155 120.570 -0.219 0.000 2.113 202 I HA -0.255 3.915 4.170 0.000 0.000 0.238 202 I C 3.117 179.129 176.117 -0.174 0.000 1.070 202 I CA 1.891 63.060 61.300 -0.218 0.000 1.332 202 I CB -1.698 36.227 38.000 -0.125 0.000 1.044 202 I HN 0.349 nan 8.210 nan 0.000 0.402 203 A N 0.722 123.485 122.820 -0.093 0.000 1.940 203 A HA -0.179 4.141 4.320 0.000 0.000 0.219 203 A C 2.446 180.021 177.584 -0.014 0.000 1.176 203 A CA 1.383 53.412 52.037 -0.013 0.000 0.631 203 A CB -0.823 18.182 19.000 0.008 0.000 0.814 203 A HN 0.411 nan 8.150 nan 0.000 0.446 204 L N -0.963 120.185 121.223 -0.125 0.000 1.994 204 L HA -0.211 4.129 4.340 0.000 0.000 0.208 204 L C 3.171 179.891 176.870 -0.250 0.000 1.071 204 L CA 1.198 55.946 54.840 -0.154 0.000 0.745 204 L CB -0.647 41.298 42.059 -0.190 0.000 0.892 204 L HN 0.441 nan 8.230 nan 0.000 0.431 205 A N -0.756 121.692 122.820 -0.621 0.000 1.917 205 A HA -0.322 3.998 4.320 0.000 0.000 0.219 205 A C 2.190 179.721 177.584 -0.087 0.000 1.182 205 A CA 1.974 53.719 52.037 -0.488 0.000 0.633 205 A CB -1.040 17.506 19.000 -0.756 0.000 0.819 205 A HN 0.507 nan 8.150 nan 0.000 0.448 206 Y N 0.636 120.830 120.300 -0.176 0.000 2.097 206 Y HA -0.262 4.288 4.550 0.000 0.000 0.282 206 Y C 2.553 178.432 175.900 -0.035 0.000 1.152 206 Y CA 2.318 60.368 58.100 -0.083 0.000 1.136 206 Y CB -0.315 38.099 38.460 -0.078 0.000 0.975 206 Y HN 0.349 nan 8.280 nan 0.000 0.498 207 Q N 0.420 120.179 119.800 -0.067 0.000 2.181 207 Q HA -0.219 4.121 4.340 0.000 0.000 0.205 207 Q C 1.938 177.883 176.000 -0.091 0.000 0.980 207 Q CA 1.769 57.505 55.803 -0.112 0.000 0.862 207 Q CB -0.539 28.200 28.738 0.002 0.000 0.905 207 Q HN 0.659 nan 8.270 nan 0.000 0.429 208 E N -0.529 119.662 120.200 -0.015 0.000 2.516 208 E HA 0.013 4.364 4.350 0.000 0.000 0.199 208 E C 0.690 177.291 176.600 0.001 0.000 1.069 208 E CA 0.335 56.764 56.400 0.047 0.000 0.876 208 E CB -0.125 29.689 29.700 0.190 0.000 0.843 208 E HN 0.553 nan 8.360 nan 0.000 0.530 209 G N 1.381 110.123 108.800 -0.096 0.000 2.184 209 G HA2 -0.290 3.670 3.960 0.000 0.000 0.264 209 G HA3 -0.290 3.670 3.960 0.000 0.000 0.264 209 G C 0.352 175.235 174.900 -0.028 0.000 0.975 209 G CA 0.132 45.169 45.100 -0.105 0.000 0.642 209 G HN 0.066 nan 8.290 nan 0.000 0.536 210 R N 0.896 121.417 120.500 0.034 0.000 2.774 210 R HA 0.445 4.785 4.340 0.000 0.000 0.269 210 R C 0.428 176.773 176.300 0.075 0.000 1.068 210 R CA -0.226 55.928 56.100 0.089 0.000 1.180 210 R CB 0.284 30.699 30.300 0.192 0.000 1.077 210 R HN 0.569 nan 8.270 nan 0.000 0.513 211 E N 0.945 121.193 120.200 0.081 0.000 2.204 211 E HA 0.319 4.669 4.350 0.000 0.000 0.276 211 E C -0.721 175.911 176.600 0.054 0.000 0.974 211 E CA -0.797 55.648 56.400 0.074 0.000 0.815 211 E CB 1.090 30.825 29.700 0.058 0.000 1.119 211 E HN 0.256 nan 8.360 nan 0.000 0.393 212 I N 3.498 124.092 120.570 0.039 0.000 2.382 212 I HA 0.174 4.345 4.170 0.000 0.000 0.286 212 I C -0.636 175.472 176.117 -0.015 0.000 1.002 212 I CA -0.606 60.691 61.300 -0.005 0.000 1.135 212 I CB 1.730 39.706 38.000 -0.039 0.000 1.288 212 I HN 0.173 nan 8.210 nan 0.000 0.448 213 V N 5.977 125.878 119.914 -0.022 0.000 2.364 213 V HA 0.620 4.740 4.120 0.000 0.000 0.272 213 V C 0.611 176.660 176.094 -0.075 0.000 1.036 213 V CA -0.726 61.553 62.300 -0.035 0.000 0.880 213 V CB 1.225 33.034 31.823 -0.022 0.000 0.991 213 V HN 0.824 nan 8.190 nan 0.000 0.460 214 A N 5.551 128.311 122.820 -0.100 0.000 2.409 214 A HA 0.675 4.995 4.320 0.000 0.000 0.262 214 A C -0.342 177.077 177.584 -0.275 0.000 1.113 214 A CA -0.191 51.731 52.037 -0.191 0.000 0.790 214 A CB 0.492 19.378 19.000 -0.189 0.000 1.046 214 A HN 0.707 nan 8.150 nan 0.000 0.496 215 V N 4.230 123.933 119.914 -0.352 0.000 2.656 215 V HA 0.405 4.525 4.120 0.000 0.000 0.307 215 V C -0.512 175.317 176.094 -0.441 0.000 1.051 215 V CA -0.770 61.338 62.300 -0.320 0.000 0.893 215 V CB 1.774 33.506 31.823 -0.151 0.000 0.999 215 V HN 0.966 nan 8.190 nan 0.000 0.426 216 H N 4.009 123.059 119.070 -0.034 0.000 2.573 216 H HA 0.546 5.102 4.556 0.000 0.000 0.351 216 H C -2.308 173.000 175.328 -0.034 0.000 1.163 216 H CA -1.648 54.377 56.048 -0.039 0.000 1.205 216 H CB 2.496 32.236 29.762 -0.036 0.000 1.605 216 H HN 0.462 nan 8.280 nan 0.000 0.525 217 P HA 0.158 nan 4.420 nan 0.000 0.282 217 P C 0.093 177.413 177.300 0.034 0.000 1.287 217 P CA -0.381 62.740 63.100 0.034 0.000 0.792 217 P CB 1.831 33.538 31.700 0.011 0.000 1.163 218 Q N -0.521 119.290 119.800 0.018 0.000 2.033 218 Q HA 0.004 4.344 4.340 0.000 0.000 0.196 218 Q C 0.484 176.489 176.000 0.008 0.000 0.970 218 Q CA 1.164 56.975 55.803 0.013 0.000 0.828 218 Q CB -0.089 28.656 28.738 0.012 0.000 0.895 218 Q HN 0.336 nan 8.270 nan 0.000 0.440 219 R N 0.234 120.740 120.500 0.009 0.000 2.664 219 R HA 0.248 4.588 4.340 0.000 0.000 0.286 219 R C 0.804 177.104 176.300 -0.000 0.000 0.967 219 R CA -0.382 55.722 56.100 0.006 0.000 0.933 219 R CB 0.984 31.294 30.300 0.016 0.000 1.146 219 R HN 0.021 nan 8.270 nan 0.000 0.468 220 L N 0.926 122.144 121.223 -0.008 0.000 2.141 220 L HA -0.125 4.215 4.340 0.000 0.000 0.209 220 L C 1.884 178.745 176.870 -0.016 0.000 1.094 220 L CA 1.901 56.728 54.840 -0.021 0.000 0.763 220 L CB -1.034 41.008 42.059 -0.029 0.000 0.908 220 L HN 0.801 nan 8.230 nan 0.000 0.437 221 S N 0.374 116.076 115.700 0.003 0.000 2.419 221 S HA -0.219 4.251 4.470 0.000 0.000 0.233 221 S C 1.559 176.162 174.600 0.005 0.000 1.016 221 S CA 1.165 59.374 58.200 0.014 0.000 0.974 221 S CB -0.506 62.719 63.200 0.042 0.000 0.786 221 S HN 0.703 nan 8.310 nan 0.000 0.492 222 E N 1.427 121.629 120.200 0.003 0.000 2.418 222 E HA -0.029 4.321 4.350 0.000 0.000 0.197 222 E C 1.424 178.014 176.600 -0.016 0.000 1.026 222 E CA 1.001 57.396 56.400 -0.007 0.000 0.862 222 E CB -0.280 29.421 29.700 0.001 0.000 0.799 222 E HN 0.657 nan 8.360 nan 0.000 0.518 223 V N -1.935 117.968 119.914 -0.019 0.000 3.380 223 V HA 0.212 4.332 4.120 0.000 0.000 0.307 223 V C 0.169 176.260 176.094 -0.004 0.000 1.434 223 V CA -0.662 61.625 62.300 -0.023 0.000 1.075 223 V CB 0.008 31.803 31.823 -0.047 0.000 0.954 223 V HN -0.009 nan 8.190 nan 0.000 0.444 224 E N 2.214 122.423 120.200 0.014 0.000 2.360 224 E HA 0.462 4.812 4.350 0.000 0.000 0.269 224 E C 0.370 177.058 176.600 0.147 0.000 1.022 224 E CA 0.615 57.062 56.400 0.078 0.000 0.887 224 E CB 1.969 31.704 29.700 0.059 0.000 0.990 224 E HN 0.576 nan 8.360 nan 0.000 0.426 225 G N 0.815 109.797 108.800 0.303 0.000 2.434 225 G HA2 0.456 4.416 3.960 0.000 0.000 0.330 225 G HA3 0.456 4.416 3.960 0.000 0.000 0.330 225 G C -0.778 174.161 174.900 0.065 0.000 1.155 225 G CA -0.498 44.710 45.100 0.181 0.000 0.917 225 G HN 0.285 nan 8.290 nan 0.000 0.493 226 V N 1.906 121.823 119.914 0.006 0.000 2.350 226 V HA 0.285 4.405 4.120 0.000 0.000 0.285 226 V C -0.219 175.819 176.094 -0.093 0.000 1.014 226 V CA -0.758 61.518 62.300 -0.040 0.000 0.831 226 V CB 1.458 33.264 31.823 -0.028 0.000 1.000 226 V HN 0.746 nan 8.190 nan 0.000 0.433 227 N N 3.308 121.930 118.700 -0.129 0.000 2.210 227 N HA 0.122 4.862 4.740 0.000 0.000 0.203 227 N C 0.059 175.467 175.510 -0.171 0.000 1.175 227 N CA 0.107 53.058 53.050 -0.165 0.000 0.894 227 N CB 0.687 39.054 38.487 -0.200 0.000 1.041 227 N HN 0.889 nan 8.380 nan 0.000 0.506 228 N N -1.535 117.083 118.700 -0.137 0.000 2.825 228 N HA 0.297 5.037 4.740 0.000 0.000 0.253 228 N C 0.395 175.860 175.510 -0.075 0.000 1.426 228 N CA -0.658 52.321 53.050 -0.119 0.000 0.851 228 N CB 1.236 39.673 38.487 -0.085 0.000 1.470 228 N HN -0.398 nan 8.380 nan 0.000 0.517 229 R N -0.397 120.080 120.500 -0.039 0.000 2.105 229 R HA -0.075 4.265 4.340 0.000 0.000 0.239 229 R C 1.451 177.758 176.300 0.012 0.000 1.135 229 R CA 0.902 57.002 56.100 0.000 0.000 0.967 229 R CB -1.182 29.143 30.300 0.041 0.000 0.861 229 R HN 0.633 nan 8.270 nan 0.000 0.442 230 L N 1.836 123.066 121.223 0.011 0.000 2.012 230 L HA -0.191 4.149 4.340 0.000 0.000 0.210 230 L C 2.253 179.129 176.870 0.010 0.000 1.073 230 L CA 1.803 56.652 54.840 0.015 0.000 0.748 230 L CB -0.518 41.549 42.059 0.013 0.000 0.891 230 L HN 0.153 nan 8.230 nan 0.000 0.431 231 Q N -1.127 118.670 119.800 -0.004 0.000 2.119 231 Q HA -0.206 4.134 4.340 0.000 0.000 0.201 231 Q C 2.218 178.224 176.000 0.009 0.000 0.972 231 Q CA 1.598 57.402 55.803 0.002 0.000 0.847 231 Q CB -0.381 28.346 28.738 -0.018 0.000 0.903 231 Q HN 0.491 nan 8.270 nan 0.000 0.433 232 L N 0.339 121.562 121.223 -0.000 0.000 2.017 232 L HA -0.166 4.174 4.340 0.000 0.000 0.208 232 L C 2.360 179.246 176.870 0.027 0.000 1.073 232 L CA 1.849 56.695 54.840 0.010 0.000 0.745 232 L CB -0.781 41.284 42.059 0.010 0.000 0.894 232 L HN 0.024 nan 8.230 nan 0.000 0.432 233 S N -0.784 114.935 115.700 0.032 0.000 2.370 233 S HA -0.182 4.288 4.470 0.000 0.000 0.226 233 S C 2.125 176.750 174.600 0.040 0.000 1.033 233 S CA 1.294 59.518 58.200 0.039 0.000 1.011 233 S CB -0.220 63.003 63.200 0.037 0.000 0.852 233 S HN 0.492 nan 8.310 nan 0.000 0.457 234 R N 0.038 120.559 120.500 0.035 0.000 2.096 234 R HA -0.043 4.297 4.340 0.000 0.000 0.235 234 R C 2.229 178.556 176.300 0.045 0.000 1.127 234 R CA 1.209 57.332 56.100 0.038 0.000 0.968 234 R CB -0.543 29.777 30.300 0.034 0.000 0.861 234 R HN 0.343 nan 8.270 nan 0.000 0.440 235 L N 1.440 122.687 121.223 0.040 0.000 2.093 235 L HA -0.128 4.212 4.340 0.000 0.000 0.208 235 L C 2.213 179.123 176.870 0.066 0.000 1.085 235 L CA 1.802 56.666 54.840 0.039 0.000 0.755 235 L CB -0.458 41.607 42.059 0.011 0.000 0.904 235 L HN 0.031 nan 8.230 nan 0.000 0.435 236 E N -0.500 119.738 120.200 0.063 0.000 2.038 236 E HA -0.236 4.114 4.350 0.000 0.000 0.195 236 E C 2.294 178.969 176.600 0.124 0.000 1.000 236 E CA 1.319 57.780 56.400 0.102 0.000 0.803 236 E CB -0.123 29.622 29.700 0.077 0.000 0.750 236 E HN 0.196 nan 8.360 nan 0.000 0.448 237 R N 0.069 120.619 120.500 0.083 0.000 2.091 237 R HA -0.105 4.235 4.340 0.000 0.000 0.238 237 R C 2.433 178.778 176.300 0.075 0.000 1.136 237 R CA 1.344 57.486 56.100 0.069 0.000 0.959 237 R CB -1.133 29.197 30.300 0.051 0.000 0.856 237 R HN 0.248 nan 8.270 nan 0.000 0.437 238 V N 0.223 120.187 119.914 0.083 0.000 2.295 238 V HA -0.261 3.859 4.120 0.000 0.000 0.246 238 V C 2.108 178.269 176.094 0.112 0.000 1.049 238 V CA 1.760 64.108 62.300 0.080 0.000 1.024 238 V CB -0.731 31.136 31.823 0.073 0.000 0.648 238 V HN 0.223 nan 8.190 nan 0.000 0.447 239 Y N 0.989 121.291 120.300 0.003 0.000 2.181 239 Y HA -0.223 4.327 4.550 0.000 0.000 0.288 239 Y C 2.699 178.613 175.900 0.023 0.000 1.146 239 Y CA 1.706 59.807 58.100 0.001 0.000 1.164 239 Y CB -0.267 38.181 38.460 -0.020 0.000 0.982 239 Y HN 0.214 nan 8.280 nan 0.000 0.515 240 Q N -0.507 119.307 119.800 0.024 0.000 2.124 240 Q HA -0.173 4.167 4.340 0.000 0.000 0.202 240 Q C 2.586 178.570 176.000 -0.026 0.000 0.977 240 Q CA 1.571 57.347 55.803 -0.044 0.000 0.850 240 Q CB -0.777 27.978 28.738 0.029 0.000 0.901 240 Q HN 0.406 nan 8.270 nan 0.000 0.429 241 S N 0.739 116.441 115.700 0.003 0.000 2.368 241 S HA -0.153 4.317 4.470 0.000 0.000 0.225 241 S C 1.779 176.366 174.600 -0.023 0.000 1.030 241 S CA 1.162 59.367 58.200 0.008 0.000 0.999 241 S CB 0.020 63.231 63.200 0.018 0.000 0.844 241 S HN 0.379 nan 8.310 nan 0.000 0.459 242 E N 0.098 120.266 120.200 -0.053 0.000 2.150 242 E HA -0.092 4.258 4.350 0.000 0.000 0.193 242 E C 2.352 178.888 176.600 -0.107 0.000 0.985 242 E CA 0.732 57.091 56.400 -0.068 0.000 0.814 242 E CB 0.060 29.728 29.700 -0.054 0.000 0.752 242 E HN 0.307 nan 8.360 nan 0.000 0.466 243 Q N -0.282 119.411 119.800 -0.179 0.000 2.123 243 Q HA -0.014 4.326 4.340 0.000 0.000 0.199 243 Q C 2.123 178.106 176.000 -0.028 0.000 0.966 243 Q CA 1.240 56.956 55.803 -0.144 0.000 0.845 243 Q CB -0.264 28.335 28.738 -0.231 0.000 0.907 243 Q HN 0.254 nan 8.270 nan 0.000 0.439 244 A N 1.041 123.869 122.820 0.014 0.000 1.930 244 A HA -0.177 4.143 4.320 0.000 0.000 0.217 244 A C 2.014 179.554 177.584 -0.074 0.000 1.175 244 A CA 1.280 53.313 52.037 -0.007 0.000 0.627 244 A CB -0.308 18.725 19.000 0.055 0.000 0.815 244 A HN 0.317 nan 8.150 nan 0.000 0.443 245 E N -0.091 120.079 120.200 -0.050 0.000 2.047 245 E HA -0.171 4.179 4.350 0.000 0.000 0.191 245 E C 2.024 178.592 176.600 -0.053 0.000 0.987 245 E CA 1.269 57.639 56.400 -0.051 0.000 0.799 245 E CB -0.141 29.538 29.700 -0.035 0.000 0.752 245 E HN 0.600 nan 8.360 nan 0.000 0.449 246 K N 0.495 120.869 120.400 -0.045 0.000 2.097 246 K HA -0.124 4.196 4.320 0.000 0.000 0.206 246 K C 2.244 178.820 176.600 -0.040 0.000 1.049 246 K CA 0.851 57.120 56.287 -0.030 0.000 0.933 246 K CB -0.091 32.398 32.500 -0.017 0.000 0.717 246 K HN 0.098 nan 8.250 nan 0.000 0.442 247 L N 0.665 121.843 121.223 -0.075 0.000 2.056 247 L HA -0.175 4.165 4.340 0.000 0.000 0.207 247 L C 2.306 179.065 176.870 -0.185 0.000 1.078 247 L CA 0.961 55.714 54.840 -0.145 0.000 0.749 247 L CB -0.331 41.601 42.059 -0.211 0.000 0.901 247 L HN 0.150 nan 8.230 nan 0.000 0.433 248 L N -0.553 120.573 121.223 -0.162 0.000 1.994 248 L HA -0.259 4.081 4.340 0.000 0.000 0.208 248 L C 2.442 179.255 176.870 -0.095 0.000 1.071 248 L CA 1.374 56.128 54.840 -0.142 0.000 0.745 248 L CB -0.442 41.546 42.059 -0.118 0.000 0.892 248 L HN 0.230 nan 8.230 nan 0.000 0.431 249 L N -0.630 120.554 121.223 -0.066 0.000 2.265 249 L HA -0.179 4.161 4.340 0.000 0.000 0.215 249 L C 2.502 179.357 176.870 -0.024 0.000 1.117 249 L CA 0.834 55.651 54.840 -0.039 0.000 0.782 249 L CB -0.620 41.424 42.059 -0.026 0.000 0.914 249 L HN 0.267 nan 8.230 nan 0.000 0.441 250 A N -0.768 122.036 122.820 -0.027 0.000 2.208 250 A HA 0.308 4.628 4.320 0.000 0.000 0.209 250 A C 1.732 179.324 177.584 0.014 0.000 1.161 250 A CA 0.868 52.919 52.037 0.024 0.000 0.782 250 A CB -0.105 18.948 19.000 0.088 0.000 0.816 250 A HN 0.495 nan 8.150 nan 0.000 0.477 251 G N -2.007 106.757 108.800 -0.060 0.000 2.192 251 G HA2 -0.135 3.825 3.960 0.000 0.000 0.193 251 G HA3 -0.135 3.825 3.960 0.000 0.000 0.193 251 G C 0.040 174.859 174.900 -0.134 0.000 0.999 251 G CA -0.078 44.987 45.100 -0.060 0.000 0.659 251 G HN 0.666 nan 8.290 nan 0.000 0.503 252 V N 1.741 121.503 119.914 -0.252 0.000 2.488 252 V HA 0.615 4.735 4.120 0.000 0.000 0.277 252 V C 0.678 176.631 176.094 -0.235 0.000 1.046 252 V CA -0.172 61.937 62.300 -0.320 0.000 0.986 252 V CB 1.488 33.019 31.823 -0.487 0.000 0.989 252 V HN 0.350 nan 8.190 nan 0.000 0.475 253 M N 7.351 126.836 119.600 -0.191 0.000 2.151 253 M HA 0.425 4.905 4.480 0.000 0.000 0.349 253 M C -0.878 175.307 176.300 -0.192 0.000 1.284 253 M CA -0.207 54.998 55.300 -0.158 0.000 1.173 253 M CB -0.103 32.433 32.600 -0.106 0.000 1.469 253 M HN 0.449 nan 8.290 nan 0.000 0.439 254 L N 4.782 125.872 121.223 -0.222 0.000 2.265 254 L HA 0.419 4.759 4.340 0.000 0.000 0.289 254 L C 1.151 177.941 176.870 -0.134 0.000 1.033 254 L CA -0.788 53.907 54.840 -0.241 0.000 0.814 254 L CB 0.981 42.824 42.059 -0.361 0.000 1.203 254 L HN 0.621 nan 8.230 nan 0.000 0.423 255 R N 0.934 121.378 120.500 -0.094 0.000 2.127 255 R HA -0.105 4.235 4.340 0.000 0.000 0.238 255 R C -0.030 176.247 176.300 -0.039 0.000 1.134 255 R CA 1.161 57.227 56.100 -0.056 0.000 0.975 255 R CB -0.137 30.138 30.300 -0.042 0.000 0.865 255 R HN 0.589 nan 8.270 nan 0.000 0.447 256 D N -2.647 117.734 120.400 -0.031 0.000 2.470 256 D HA 0.177 4.817 4.640 0.000 0.000 0.233 256 D C -2.328 173.982 176.300 0.015 0.000 1.372 256 D CA -1.900 52.097 54.000 -0.005 0.000 0.994 256 D CB 1.660 42.470 40.800 0.016 0.000 1.377 256 D HN -0.238 nan 8.370 nan 0.000 0.586 257 P HA -0.035 nan 4.420 nan 0.000 0.218 257 P C 1.048 178.396 177.300 0.080 0.000 1.148 257 P CA 1.060 64.174 63.100 0.023 0.000 0.822 257 P CB 0.335 32.028 31.700 -0.011 0.000 0.784 258 A N -0.601 122.252 122.820 0.054 0.000 2.172 258 A HA -0.063 4.257 4.320 0.000 0.000 0.216 258 A C 1.534 179.160 177.584 0.070 0.000 1.154 258 A CA 0.920 52.990 52.037 0.056 0.000 0.701 258 A CB -0.639 18.383 19.000 0.037 0.000 0.789 258 A HN 0.116 nan 8.150 nan 0.000 0.465 259 R N -1.413 119.142 120.500 0.091 0.000 2.989 259 R HA 0.382 4.722 4.340 0.000 0.000 0.340 259 R C -1.458 174.940 176.300 0.163 0.000 1.205 259 R CA -0.151 56.005 56.100 0.094 0.000 1.235 259 R CB 0.220 30.562 30.300 0.070 0.000 1.394 259 R HN 0.359 nan 8.270 nan 0.000 0.598 260 F N 0.067 120.012 119.950 -0.009 0.000 2.591 260 F HA 0.410 4.937 4.527 0.000 0.000 0.309 260 F C -1.626 174.170 175.800 -0.007 0.000 1.098 260 F CA -1.017 56.974 58.000 -0.015 0.000 0.937 260 F CB 2.117 41.099 39.000 -0.030 0.000 1.250 260 F HN -0.029 nan 8.300 nan 0.000 0.447 261 D N 4.760 124.598 120.400 -0.937 0.000 2.863 261 D HA 0.450 5.090 4.640 0.000 0.000 0.245 261 D C -1.759 174.051 176.300 -0.817 0.000 1.211 261 D CA -0.201 53.413 54.000 -0.643 0.000 0.888 261 D CB 2.268 42.899 40.800 -0.282 0.000 1.483 261 D HN 0.505 nan 8.370 nan 0.000 0.533 262 L N 2.659 123.581 121.223 -0.503 0.000 2.318 262 L HA 0.517 4.857 4.340 0.000 0.000 0.277 262 L C -0.942 175.894 176.870 -0.057 0.000 1.008 262 L CA -0.347 54.343 54.840 -0.250 0.000 0.846 262 L CB 0.765 42.786 42.059 -0.063 0.000 1.220 262 L HN 0.336 nan 8.230 nan 0.000 0.423 263 R N 4.680 125.160 120.500 -0.034 0.000 2.860 263 R HA 0.727 5.067 4.340 0.000 0.000 0.282 263 R C 0.145 176.471 176.300 0.044 0.000 1.408 263 R CA 0.029 56.152 56.100 0.038 0.000 1.636 263 R CB 0.838 31.147 30.300 0.016 0.000 1.187 263 R HN 0.969 nan 8.270 nan 0.000 0.611 264 G N -0.222 108.621 108.800 0.072 0.000 2.480 264 G HA2 -0.073 3.887 3.960 0.000 0.000 0.109 264 G HA3 -0.073 3.887 3.960 0.000 0.000 0.109 264 G C -1.083 173.860 174.900 0.071 0.000 1.172 264 G CA -0.637 44.499 45.100 0.061 0.000 1.091 264 G HN 0.148 nan 8.290 nan 0.000 0.464 265 T N 0.703 115.290 114.554 0.056 0.000 2.861 265 T HA 0.631 4.981 4.350 0.000 0.000 0.287 265 T C -1.403 173.336 174.700 0.064 0.000 1.003 265 T CA -0.209 61.927 62.100 0.060 0.000 0.977 265 T CB 1.877 70.772 68.868 0.045 0.000 0.996 265 T HN 1.062 nan 8.240 nan 0.000 0.448 266 L N 2.951 124.226 121.223 0.086 0.000 2.376 266 L HA 0.665 5.005 4.340 0.000 0.000 0.275 266 L C -0.581 176.352 176.870 0.107 0.000 0.987 266 L CA -0.010 54.894 54.840 0.107 0.000 0.828 266 L CB 1.800 43.955 42.059 0.159 0.000 1.249 266 L HN 0.596 nan 8.230 nan 0.000 0.409 267 T N 4.236 118.825 114.554 0.057 0.000 2.794 267 T HA 0.655 5.005 4.350 0.000 0.000 0.280 267 T C -0.879 173.826 174.700 0.008 0.000 0.987 267 T CA -0.188 61.900 62.100 -0.021 0.000 0.993 267 T CB 0.572 69.410 68.868 -0.050 0.000 0.939 267 T HN 0.825 nan 8.240 nan 0.000 0.449 268 H N 0.009 119.056 119.070 -0.039 0.000 2.894 268 H HA 0.840 5.396 4.556 0.000 0.000 0.368 268 H C 0.225 175.496 175.328 -0.095 0.000 1.181 268 H CA -1.149 54.863 56.048 -0.061 0.000 1.146 268 H CB 0.956 30.693 29.762 -0.041 0.000 1.839 268 H HN 0.703 nan 8.280 nan 0.000 0.557 269 G N -0.024 108.781 108.800 0.007 0.000 2.857 269 G HA2 0.410 4.370 3.960 0.000 0.000 0.217 269 G HA3 0.410 4.370 3.960 0.000 0.000 0.217 269 G C -0.557 174.478 174.900 0.225 0.000 1.357 269 G CA -1.226 43.808 45.100 -0.111 0.000 1.033 269 G HN 0.473 nan 8.290 nan 0.000 0.571 270 R N 0.593 121.361 120.500 0.446 0.000 2.459 270 R HA 0.284 4.624 4.340 0.000 0.000 0.281 270 R C -0.595 175.799 176.300 0.156 0.000 1.050 270 R CA -0.465 55.795 56.100 0.267 0.000 1.055 270 R CB 0.248 30.662 30.300 0.190 0.000 1.045 270 R HN 0.617 nan 8.270 nan 0.000 0.495 271 D N 0.168 120.611 120.400 0.073 0.000 2.699 271 D HA -0.144 4.496 4.640 0.000 0.000 0.239 271 D C -0.678 175.629 176.300 0.012 0.000 1.136 271 D CA 0.623 54.639 54.000 0.026 0.000 0.668 271 D CB -0.938 39.877 40.800 0.025 0.000 1.060 271 D HN 0.114 nan 8.370 nan 0.000 0.429 272 V N 0.973 120.881 119.914 -0.011 0.000 2.461 272 V HA 0.131 4.251 4.120 0.000 0.000 0.275 272 V C 0.810 176.861 176.094 -0.072 0.000 1.047 272 V CA -0.068 62.212 62.300 -0.033 0.000 0.955 272 V CB 1.618 33.415 31.823 -0.044 0.000 0.988 272 V HN 0.026 nan 8.190 nan 0.000 0.471 273 E N 5.916 126.080 120.200 -0.059 0.000 2.145 273 E HA 0.555 4.905 4.350 0.000 0.000 0.270 273 E C -1.072 175.483 176.600 -0.075 0.000 0.906 273 E CA -0.426 55.930 56.400 -0.073 0.000 0.761 273 E CB 2.278 31.946 29.700 -0.054 0.000 1.116 273 E HN 0.518 nan 8.360 nan 0.000 0.408 274 I N 2.773 123.282 120.570 -0.102 0.000 2.411 274 I HA 0.185 4.355 4.170 0.000 0.000 0.284 274 I C 0.195 176.271 176.117 -0.069 0.000 1.012 274 I CA -0.719 60.533 61.300 -0.079 0.000 1.119 274 I CB 1.323 39.257 38.000 -0.111 0.000 1.261 274 I HN 0.469 nan 8.210 nan 0.000 0.448 275 D N 3.620 123.990 120.400 -0.049 0.000 2.398 275 D HA 0.130 4.770 4.640 0.000 0.000 0.264 275 D C 0.304 176.597 176.300 -0.012 0.000 1.263 275 D CA 0.159 54.131 54.000 -0.046 0.000 1.037 275 D CB 1.044 41.802 40.800 -0.070 0.000 1.101 275 D HN 0.548 nan 8.370 nan 0.000 0.551 276 T N -0.579 113.968 114.554 -0.013 0.000 2.903 276 T HA 0.054 4.404 4.350 0.000 0.000 0.314 276 T C 0.464 175.180 174.700 0.027 0.000 1.078 276 T CA -0.488 61.624 62.100 0.020 0.000 1.114 276 T CB 0.197 69.075 68.868 0.018 0.000 0.987 276 T HN 0.447 nan 8.240 nan 0.000 0.548 277 N N -0.573 118.163 118.700 0.061 0.000 2.727 277 N HA -0.134 4.606 4.740 0.000 0.000 0.249 277 N C -0.682 174.848 175.510 0.034 0.000 1.048 277 N CA 0.458 53.539 53.050 0.052 0.000 0.714 277 N CB -1.739 36.785 38.487 0.061 0.000 0.959 277 N HN 0.591 nan 8.380 nan 0.000 0.544 278 V N 1.141 121.098 119.914 0.071 0.000 2.472 278 V HA 0.499 4.619 4.120 0.000 0.000 0.290 278 V C 0.862 176.930 176.094 -0.045 0.000 1.037 278 V CA -0.548 61.782 62.300 0.051 0.000 0.908 278 V CB 2.050 33.956 31.823 0.138 0.000 0.985 278 V HN 0.116 nan 8.190 nan 0.000 0.454 279 I N 5.370 125.899 120.570 -0.068 0.000 2.406 279 I HA 0.483 4.653 4.170 0.000 0.000 0.290 279 I C -0.963 175.087 176.117 -0.110 0.000 0.999 279 I CA -0.517 60.696 61.300 -0.145 0.000 1.124 279 I CB 1.945 39.895 38.000 -0.084 0.000 1.289 279 I HN 0.397 nan 8.210 nan 0.000 0.441 280 I N 6.124 126.592 120.570 -0.170 0.000 2.355 280 I HA 0.286 4.456 4.170 0.000 0.000 0.288 280 I C -0.232 175.850 176.117 -0.058 0.000 0.999 280 I CA 0.005 61.262 61.300 -0.070 0.000 1.163 280 I CB 1.312 39.302 38.000 -0.016 0.000 1.316 280 I HN 0.526 nan 8.210 nan 0.000 0.454 281 E N 4.112 124.298 120.200 -0.024 0.000 2.227 281 E HA 0.738 5.088 4.350 0.000 0.000 0.268 281 E C 0.316 176.918 176.600 0.003 0.000 0.907 281 E CA -0.668 55.725 56.400 -0.011 0.000 0.786 281 E CB 1.898 31.592 29.700 -0.010 0.000 1.191 281 E HN 0.760 nan 8.360 nan 0.000 0.411 282 G N 2.769 111.574 108.800 0.009 0.000 2.569 282 G HA2 -0.260 3.700 3.960 0.000 0.000 0.259 282 G HA3 -0.260 3.700 3.960 0.000 0.000 0.259 282 G C -0.547 174.363 174.900 0.017 0.000 1.263 282 G CA -0.644 44.462 45.100 0.011 0.000 0.928 282 G HN 0.543 nan 8.290 nan 0.000 0.572 283 N N 0.194 118.902 118.700 0.014 0.000 2.414 283 N HA 0.511 5.251 4.740 0.000 0.000 0.256 283 N C -0.360 175.160 175.510 0.017 0.000 1.029 283 N CA -0.108 52.953 53.050 0.017 0.000 0.948 283 N CB 1.650 40.144 38.487 0.012 0.000 1.102 283 N HN 0.571 nan 8.380 nan 0.000 0.496 284 V N 1.849 121.778 119.914 0.026 0.000 2.540 284 V HA 0.436 4.556 4.120 0.000 0.000 0.302 284 V C 0.078 176.188 176.094 0.026 0.000 1.035 284 V CA -0.579 61.737 62.300 0.026 0.000 0.873 284 V CB 2.135 33.979 31.823 0.035 0.000 0.992 284 V HN 0.538 nan 8.190 nan 0.000 0.428 285 T N 6.356 120.918 114.554 0.012 0.000 2.797 285 T HA 0.706 5.056 4.350 0.000 0.000 0.279 285 T C -0.598 174.101 174.700 -0.002 0.000 0.991 285 T CA -0.333 61.767 62.100 0.000 0.000 0.979 285 T CB 0.915 69.773 68.868 -0.017 0.000 0.943 285 T HN 0.370 nan 8.240 nan 0.000 0.444 286 L N 2.539 123.762 121.223 -0.001 0.000 2.381 286 L HA 0.635 4.975 4.340 0.000 0.000 0.274 286 L C 1.039 177.876 176.870 -0.055 0.000 0.988 286 L CA -1.069 53.767 54.840 -0.006 0.000 0.824 286 L CB 1.742 43.817 42.059 0.027 0.000 1.263 286 L HN 0.764 nan 8.230 nan 0.000 0.410 287 G N 0.385 109.139 108.800 -0.076 0.000 2.570 287 G HA2 0.199 4.159 3.960 0.000 0.000 0.276 287 G HA3 0.199 4.159 3.960 0.000 0.000 0.276 287 G C -0.396 174.408 174.900 -0.161 0.000 1.346 287 G CA -0.383 44.621 45.100 -0.160 0.000 1.034 287 G HN 0.647 nan 8.290 nan 0.000 0.512 288 H N -1.002 118.078 119.070 0.016 0.000 2.815 288 H HA 0.316 4.872 4.556 0.000 0.000 0.350 288 H C 0.689 176.022 175.328 0.009 0.000 1.080 288 H CA 0.355 56.413 56.048 0.017 0.000 1.433 288 H CB 0.472 30.239 29.762 0.010 0.000 1.432 288 H HN 0.586 nan 8.280 nan 0.000 0.592 289 R N -0.249 120.329 120.500 0.129 0.000 3.641 289 R HA -0.160 4.180 4.340 0.000 0.000 0.286 289 R C -0.961 175.358 176.300 0.031 0.000 1.153 289 R CA 0.109 56.246 56.100 0.063 0.000 0.775 289 R CB -1.950 28.384 30.300 0.057 0.000 1.215 289 R HN 0.238 nan 8.270 nan 0.000 0.474 290 V N 1.385 121.312 119.914 0.021 0.000 2.555 290 V HA 0.099 4.219 4.120 0.000 0.000 0.286 290 V C 0.742 176.831 176.094 -0.009 0.000 1.044 290 V CA 0.273 62.575 62.300 0.004 0.000 1.026 290 V CB 1.391 33.214 31.823 0.000 0.000 0.981 290 V HN 0.113 nan 8.190 nan 0.000 0.480 291 K N 6.212 126.603 120.400 -0.015 0.000 2.265 291 K HA 0.617 4.937 4.320 0.000 0.000 0.267 291 K C -0.961 175.619 176.600 -0.034 0.000 0.994 291 K CA -0.244 56.027 56.287 -0.027 0.000 0.860 291 K CB 1.598 34.081 32.500 -0.028 0.000 1.099 291 K HN 0.525 nan 8.250 nan 0.000 0.448 292 I N 2.403 122.948 120.570 -0.040 0.000 2.362 292 I HA 0.257 4.427 4.170 0.000 0.000 0.289 292 I C 0.806 176.880 176.117 -0.072 0.000 0.994 292 I CA -0.770 60.502 61.300 -0.046 0.000 1.158 292 I CB 1.762 39.750 38.000 -0.020 0.000 1.315 292 I HN 0.662 nan 8.210 nan 0.000 0.451 293 G N 3.347 112.083 108.800 -0.106 0.000 2.634 293 G HA2 0.179 4.139 3.960 0.000 0.000 0.255 293 G HA3 0.179 4.139 3.960 0.000 0.000 0.255 293 G C 0.054 174.831 174.900 -0.204 0.000 1.205 293 G CA -0.203 44.803 45.100 -0.157 0.000 0.884 293 G HN 0.513 nan 8.290 nan 0.000 0.549 294 T N -1.188 113.205 114.554 -0.268 0.000 2.932 294 T HA 0.393 4.743 4.350 0.000 0.000 0.312 294 T C 1.646 176.016 174.700 -0.549 0.000 1.071 294 T CA 1.676 63.591 62.100 -0.308 0.000 1.128 294 T CB 0.038 68.754 68.868 -0.253 0.000 0.984 294 T HN 2.037 nan 8.240 nan 0.000 0.549 295 G N 2.662 111.280 108.800 -0.303 0.000 2.168 295 G HA2 -0.250 3.710 3.960 0.000 0.000 0.263 295 G HA3 -0.250 3.710 3.960 0.000 0.000 0.263 295 G C 0.560 175.404 174.900 -0.093 0.000 0.977 295 G CA 0.120 45.108 45.100 -0.186 0.000 0.659 295 G HN 0.968 nan 8.290 nan 0.000 0.533 296 C N 0.071 119.300 119.300 -0.118 0.000 2.605 296 C HA 0.567 5.027 4.460 0.000 0.000 0.404 296 C C 0.957 175.941 174.990 -0.009 0.000 1.284 296 C CA -0.328 58.657 59.018 -0.055 0.000 2.199 296 C CB 1.057 28.757 27.740 -0.066 0.000 2.647 296 C HN 0.421 nan 8.230 nan 0.000 0.604 297 V N 4.962 124.881 119.914 0.007 0.000 2.407 297 V HA 0.471 4.591 4.120 0.000 0.000 0.291 297 V C -0.315 175.783 176.094 0.007 0.000 1.018 297 V CA -0.111 62.194 62.300 0.008 0.000 0.842 297 V CB 1.124 32.961 31.823 0.022 0.000 0.996 297 V HN 0.672 nan 8.190 nan 0.000 0.426 298 I N 4.764 125.336 120.570 0.003 0.000 2.418 298 I HA 0.551 4.721 4.170 0.000 0.000 0.287 298 I C -0.308 175.812 176.117 0.005 0.000 1.008 298 I CA -0.442 60.863 61.300 0.007 0.000 1.104 298 I CB 1.778 39.786 38.000 0.013 0.000 1.264 298 I HN 0.477 nan 8.210 nan 0.000 0.438 299 K N 5.630 126.034 120.400 0.006 0.000 2.324 299 K HA 0.381 4.701 4.320 0.000 0.000 0.253 299 K C -0.424 176.180 176.600 0.006 0.000 0.932 299 K CA -0.614 55.676 56.287 0.005 0.000 0.799 299 K CB 1.052 33.555 32.500 0.004 0.000 1.154 299 K HN 0.578 nan 8.250 nan 0.000 0.425 300 N N 2.063 120.767 118.700 0.006 0.000 2.691 300 N HA -0.168 4.572 4.740 0.000 0.000 0.277 300 N C -1.421 174.091 175.510 0.004 0.000 1.029 300 N CA 1.070 54.123 53.050 0.005 0.000 0.798 300 N CB -0.698 37.791 38.487 0.003 0.000 0.922 300 N HN 0.483 nan 8.380 nan 0.000 0.562 301 S N -0.758 114.945 115.700 0.006 0.000 2.627 301 S HA 0.680 5.150 4.470 0.000 0.000 0.283 301 S C -0.180 174.421 174.600 0.002 0.000 1.127 301 S CA -0.750 57.452 58.200 0.003 0.000 0.863 301 S CB 3.014 66.216 63.200 0.003 0.000 1.121 301 S HN 0.044 nan 8.310 nan 0.000 0.479 302 V N 2.769 122.682 119.914 -0.002 0.000 2.444 302 V HA 0.531 4.651 4.120 0.000 0.000 0.294 302 V C -1.092 174.998 176.094 -0.007 0.000 1.022 302 V CA -0.612 61.685 62.300 -0.005 0.000 0.850 302 V CB 1.335 33.154 31.823 -0.008 0.000 0.992 302 V HN 0.671 nan 8.190 nan 0.000 0.426 303 I N 4.046 124.611 120.570 -0.008 0.000 2.389 303 I HA 0.520 4.690 4.170 0.000 0.000 0.288 303 I C 0.908 177.016 176.117 -0.014 0.000 0.999 303 I CA -0.118 61.176 61.300 -0.008 0.000 1.129 303 I CB 1.259 39.256 38.000 -0.005 0.000 1.288 303 I HN 0.680 nan 8.210 nan 0.000 0.444 304 G N 4.680 113.474 108.800 -0.010 0.000 2.653 304 G HA2 0.187 4.147 3.960 0.000 0.000 0.265 304 G HA3 0.187 4.147 3.960 0.000 0.000 0.265 304 G C -0.182 174.716 174.900 -0.003 0.000 1.237 304 G CA -0.379 44.715 45.100 -0.009 0.000 0.946 304 G HN 0.561 nan 8.290 nan 0.000 0.522 305 D N 0.096 120.502 120.400 0.010 0.000 2.400 305 D HA 0.108 4.748 4.640 0.000 0.000 0.238 305 D C 0.575 176.895 176.300 0.033 0.000 1.157 305 D CA 0.364 54.386 54.000 0.037 0.000 0.889 305 D CB 0.504 41.354 40.800 0.084 0.000 1.199 305 D HN 0.450 nan 8.370 nan 0.000 0.436 306 D N -0.826 119.597 120.400 0.039 0.000 2.955 306 D HA -0.204 4.436 4.640 0.000 0.000 0.226 306 D C -0.216 176.092 176.300 0.013 0.000 1.178 306 D CA 0.557 54.572 54.000 0.025 0.000 0.808 306 D CB -1.395 39.419 40.800 0.023 0.000 1.099 306 D HN 0.289 nan 8.370 nan 0.000 0.421 307 C N 0.859 120.165 119.300 0.010 0.000 2.605 307 C HA 0.264 4.724 4.460 0.000 0.000 0.404 307 C C 0.888 175.877 174.990 -0.001 0.000 1.284 307 C CA -0.187 58.834 59.018 0.005 0.000 2.199 307 C CB 0.532 28.273 27.740 0.001 0.000 2.647 307 C HN 0.092 nan 8.230 nan 0.000 0.604 308 E N 3.038 123.236 120.200 -0.002 0.000 2.220 308 E HA 0.372 4.722 4.350 0.000 0.000 0.256 308 E C -0.983 175.606 176.600 -0.019 0.000 0.881 308 E CA -0.342 56.051 56.400 -0.012 0.000 0.766 308 E CB 1.024 30.718 29.700 -0.010 0.000 1.187 308 E HN 0.428 nan 8.360 nan 0.000 0.419 309 I N 2.689 123.240 120.570 -0.033 0.000 2.307 309 I HA 0.189 4.359 4.170 0.000 0.000 0.287 309 I C 0.520 176.590 176.117 -0.078 0.000 1.054 309 I CA -0.321 60.951 61.300 -0.048 0.000 1.218 309 I CB 0.451 38.424 38.000 -0.044 0.000 1.398 309 I HN 0.356 nan 8.210 nan 0.000 0.475 310 S N 8.058 123.706 115.700 -0.088 0.000 2.580 310 S HA 0.203 4.673 4.470 0.000 0.000 0.266 310 S C -2.096 172.382 174.600 -0.203 0.000 1.354 310 S CA -0.571 57.552 58.200 -0.128 0.000 1.008 310 S CB 0.130 63.260 63.200 -0.115 0.000 0.898 310 S HN 0.424 nan 8.310 nan 0.000 0.555 311 P HA -0.040 nan 4.420 nan 0.000 0.266 311 P C -0.763 176.251 177.300 -0.477 0.000 1.180 311 P CA 0.513 63.330 63.100 -0.471 0.000 0.765 311 P CB -0.179 31.248 31.700 -0.454 0.000 0.806 312 Y N -1.267 118.912 120.300 -0.201 0.000 2.988 312 Y HA -0.224 4.326 4.550 0.000 0.000 0.193 312 Y C 0.264 176.100 175.900 -0.107 0.000 1.388 312 Y CA 0.284 58.296 58.100 -0.147 0.000 0.904 312 Y CB -2.543 35.814 38.460 -0.171 0.000 1.297 312 Y HN 0.215 nan 8.280 nan 0.000 0.432 313 T N 0.611 115.157 114.554 -0.013 0.000 2.841 313 T HA 0.685 5.035 4.350 0.000 0.000 0.283 313 T C -0.187 174.532 174.700 0.031 0.000 1.000 313 T CA -0.816 61.290 62.100 0.010 0.000 0.977 313 T CB 2.031 70.874 68.868 -0.042 0.000 0.979 313 T HN 0.065 nan 8.240 nan 0.000 0.446 314 V N 3.592 123.537 119.914 0.052 0.000 2.398 314 V HA 0.626 4.746 4.120 0.000 0.000 0.286 314 V C -0.467 175.645 176.094 0.030 0.000 1.026 314 V CA -0.668 61.660 62.300 0.046 0.000 0.868 314 V CB 1.644 33.505 31.823 0.063 0.000 0.982 314 V HN 0.704 nan 8.190 nan 0.000 0.443 315 V N 4.359 124.284 119.914 0.019 0.000 2.482 315 V HA 0.535 4.655 4.120 0.000 0.000 0.295 315 V C -0.474 175.627 176.094 0.011 0.000 1.026 315 V CA -0.528 61.779 62.300 0.012 0.000 0.856 315 V CB 1.751 33.576 31.823 0.004 0.000 1.001 315 V HN 0.999 nan 8.190 nan 0.000 0.424 316 E N 3.597 123.804 120.200 0.012 0.000 2.246 316 E HA 0.371 4.721 4.350 0.000 0.000 0.266 316 E C -0.545 176.059 176.600 0.007 0.000 0.880 316 E CA -0.531 55.874 56.400 0.009 0.000 0.762 316 E CB 1.406 31.113 29.700 0.011 0.000 1.180 316 E HN 0.722 nan 8.360 nan 0.000 0.416 317 D N 1.849 122.252 120.400 0.004 0.000 2.701 317 D HA -0.223 4.417 4.640 0.000 0.000 0.235 317 D C -0.727 175.574 176.300 0.001 0.000 1.155 317 D CA 1.272 55.273 54.000 0.002 0.000 0.649 317 D CB -0.841 39.960 40.800 0.002 0.000 1.050 317 D HN 0.473 nan 8.370 nan 0.000 0.425 318 A N 0.518 123.338 122.820 0.000 0.000 2.269 318 A HA 0.680 5.000 4.320 0.000 0.000 0.327 318 A C 0.182 177.763 177.584 -0.004 0.000 1.112 318 A CA -0.525 51.511 52.037 -0.003 0.000 0.865 318 A CB 1.303 20.301 19.000 -0.004 0.000 1.227 318 A HN 0.201 nan 8.150 nan 0.000 0.498 319 N N -0.439 118.257 118.700 -0.007 0.000 2.519 319 N HA 0.530 5.270 4.740 0.000 0.000 0.286 319 N C -2.008 173.497 175.510 -0.008 0.000 1.079 319 N CA -0.258 52.788 53.050 -0.007 0.000 0.878 319 N CB 0.848 39.332 38.487 -0.006 0.000 1.375 319 N HN 0.410 nan 8.380 nan 0.000 0.514 320 L N 2.565 123.784 121.223 -0.007 0.000 2.322 320 L HA 0.774 5.114 4.340 0.000 0.000 0.281 320 L C 0.486 177.354 176.870 -0.004 0.000 1.014 320 L CA -0.528 54.308 54.840 -0.006 0.000 0.815 320 L CB 1.459 43.514 42.059 -0.007 0.000 1.247 320 L HN 0.636 nan 8.230 nan 0.000 0.421 321 A N 2.483 125.302 122.820 -0.001 0.000 2.251 321 A HA 0.814 5.134 4.320 0.000 0.000 0.278 321 A C 0.294 177.881 177.584 0.005 0.000 1.206 321 A CA 0.065 52.103 52.037 0.002 0.000 0.822 321 A CB 0.036 19.038 19.000 0.004 0.000 1.187 321 A HN 0.827 nan 8.150 nan 0.000 0.504 322 A N -1.894 120.931 122.820 0.009 0.000 2.445 322 A HA 0.539 4.859 4.320 0.000 0.000 0.242 322 A C 1.230 178.822 177.584 0.013 0.000 1.075 322 A CA 0.753 52.798 52.037 0.013 0.000 0.777 322 A CB -0.772 18.239 19.000 0.019 0.000 1.013 322 A HN 2.673 nan 8.150 nan 0.000 0.493 323 A N 0.145 122.974 122.820 0.014 0.000 2.887 323 A HA -0.164 4.156 4.320 0.000 0.000 0.257 323 A C 0.574 178.169 177.584 0.017 0.000 1.372 323 A CA 0.709 52.754 52.037 0.014 0.000 0.879 323 A CB -2.713 16.294 19.000 0.012 0.000 1.082 323 A HN 1.256 nan 8.150 nan 0.000 0.703 324 C N 0.602 119.912 119.300 0.017 0.000 2.459 324 C HA 0.752 5.212 4.460 0.000 0.000 0.374 324 C C 1.028 176.037 174.990 0.032 0.000 1.241 324 C CA 0.594 59.626 59.018 0.024 0.000 2.352 324 C CB 1.002 28.749 27.740 0.011 0.000 2.490 324 C HN 1.139 nan 8.230 nan 0.000 0.583 325 T N 1.030 115.623 114.554 0.065 0.000 2.949 325 T HA 0.668 5.018 4.350 0.000 0.000 0.300 325 T C -0.889 173.865 174.700 0.091 0.000 0.988 325 T CA -0.388 61.769 62.100 0.095 0.000 0.993 325 T CB 0.699 69.651 68.868 0.141 0.000 0.984 325 T HN 0.725 nan 8.240 nan 0.000 0.442 326 I N -0.311 120.263 120.570 0.006 0.000 2.730 326 I HA 0.917 5.087 4.170 0.000 0.000 0.298 326 I C 0.254 176.328 176.117 -0.072 0.000 1.089 326 I CA -0.647 60.609 61.300 -0.073 0.000 1.041 326 I CB 1.804 39.760 38.000 -0.074 0.000 1.235 326 I HN 1.209 nan 8.210 nan 0.000 0.423 327 G N 4.232 112.966 108.800 -0.110 0.000 2.631 327 G HA2 -0.045 3.915 3.960 0.000 0.000 0.504 327 G HA3 -0.045 3.915 3.960 0.000 0.000 0.504 327 G C -3.206 171.630 174.900 -0.107 0.000 1.306 327 G CA -0.515 44.517 45.100 -0.113 0.000 0.897 327 G HN 0.697 nan 8.290 nan 0.000 0.520 328 P HA 0.528 nan 4.420 nan 0.000 0.276 328 P C 0.147 177.310 177.300 -0.229 0.000 1.261 328 P CA 0.189 63.096 63.100 -0.322 0.000 0.800 328 P CB 0.115 31.499 31.700 -0.526 0.000 1.066 329 F N -3.520 116.437 119.950 0.012 0.000 3.071 329 F HA -0.176 4.351 4.527 0.000 0.000 0.295 329 F C 0.564 176.362 175.800 -0.002 0.000 0.919 329 F CA 0.619 58.646 58.000 0.044 0.000 1.050 329 F CB -2.495 36.530 39.000 0.040 0.000 1.040 329 F HN 0.408 nan 8.300 nan 0.000 0.692 330 A N 0.507 123.382 122.820 0.091 0.000 2.312 330 A HA 0.881 5.201 4.320 0.000 0.000 0.328 330 A C 0.228 177.856 177.584 0.074 0.000 1.158 330 A CA -0.695 51.371 52.037 0.048 0.000 0.821 330 A CB 1.350 20.332 19.000 -0.030 0.000 1.170 330 A HN 0.254 nan 8.150 nan 0.000 0.490 331 R N 2.764 123.307 120.500 0.073 0.000 2.467 331 R HA 0.405 4.745 4.340 0.000 0.000 0.299 331 R C -1.937 174.394 176.300 0.052 0.000 1.120 331 R CA -0.323 55.821 56.100 0.074 0.000 0.940 331 R CB 0.397 30.758 30.300 0.101 0.000 1.161 331 R HN 0.744 nan 8.270 nan 0.000 0.506 332 L N 5.188 126.431 121.223 0.032 0.000 2.265 332 L HA 0.544 4.884 4.340 0.000 0.000 0.289 332 L C 0.958 177.843 176.870 0.025 0.000 1.033 332 L CA -0.612 54.240 54.840 0.019 0.000 0.814 332 L CB 1.440 43.499 42.059 0.002 0.000 1.203 332 L HN 0.315 nan 8.230 nan 0.000 0.423 333 R N 2.974 123.492 120.500 0.031 0.000 2.608 333 R HA 0.440 4.780 4.340 0.000 0.000 0.255 333 R C -2.362 173.948 176.300 0.017 0.000 1.086 333 R CA -1.942 54.176 56.100 0.030 0.000 1.125 333 R CB 0.814 31.142 30.300 0.048 0.000 1.193 333 R HN 0.254 nan 8.270 nan 0.000 0.553 334 P HA -0.086 nan 4.420 nan 0.000 0.260 334 P C 0.323 177.626 177.300 0.005 0.000 1.172 334 P CA 1.384 64.488 63.100 0.007 0.000 0.760 334 P CB 0.320 32.024 31.700 0.006 0.000 0.773 335 G N 2.576 111.376 108.800 0.000 0.000 2.259 335 G HA2 -0.193 3.767 3.960 0.000 0.000 0.217 335 G HA3 -0.193 3.767 3.960 0.000 0.000 0.217 335 G C 0.426 175.321 174.900 -0.009 0.000 1.001 335 G CA -0.105 44.992 45.100 -0.004 0.000 0.627 335 G HN 0.821 nan 8.290 nan 0.000 0.501 336 A N 0.667 123.482 122.820 -0.009 0.000 2.561 336 A HA 0.483 4.803 4.320 0.000 0.000 0.251 336 A C 0.369 177.944 177.584 -0.016 0.000 1.062 336 A CA 1.536 53.563 52.037 -0.016 0.000 0.761 336 A CB 0.084 19.076 19.000 -0.013 0.000 0.986 336 A HN 0.695 nan 8.150 nan 0.000 0.510 337 E N 2.493 122.681 120.200 -0.020 0.000 2.260 337 E HA 0.529 4.879 4.350 0.000 0.000 0.266 337 E C -1.906 174.684 176.600 -0.018 0.000 0.887 337 E CA -0.624 55.767 56.400 -0.016 0.000 0.777 337 E CB 0.974 30.666 29.700 -0.012 0.000 1.205 337 E HN 0.531 nan 8.360 nan 0.000 0.414 338 L N 4.351 125.565 121.223 -0.015 0.000 2.329 338 L HA 0.490 4.830 4.340 0.000 0.000 0.279 338 L C -0.324 176.542 176.870 -0.006 0.000 1.014 338 L CA -0.408 54.424 54.840 -0.014 0.000 0.814 338 L CB 1.489 43.538 42.059 -0.016 0.000 1.257 338 L HN 0.535 nan 8.230 nan 0.000 0.424 339 L N 0.858 122.079 121.223 -0.002 0.000 2.400 339 L HA 0.408 4.748 4.340 0.000 0.000 0.264 339 L C 0.598 177.472 176.870 0.006 0.000 1.061 339 L CA -0.916 53.925 54.840 0.002 0.000 0.799 339 L CB 0.910 42.971 42.059 0.003 0.000 1.240 339 L HN 0.622 nan 8.230 nan 0.000 0.461 340 E N 0.561 120.766 120.200 0.008 0.000 2.820 340 E HA -0.022 4.328 4.350 0.000 0.000 0.251 340 E C 0.899 177.507 176.600 0.014 0.000 0.944 340 E CA 1.058 57.465 56.400 0.011 0.000 0.955 340 E CB 0.040 29.746 29.700 0.010 0.000 0.904 340 E HN 0.754 nan 8.360 nan 0.000 0.513 341 G N 2.361 111.171 108.800 0.017 0.000 2.176 341 G HA2 -0.316 3.644 3.960 0.000 0.000 0.253 341 G HA3 -0.316 3.644 3.960 0.000 0.000 0.253 341 G C 0.342 175.264 174.900 0.036 0.000 0.979 341 G CA 0.069 45.182 45.100 0.022 0.000 0.641 341 G HN 0.928 nan 8.290 nan 0.000 0.530 342 A N -0.186 122.654 122.820 0.034 0.000 2.406 342 A HA 0.617 4.937 4.320 0.000 0.000 0.243 342 A C 0.096 177.731 177.584 0.085 0.000 1.082 342 A CA 1.045 53.108 52.037 0.043 0.000 0.786 342 A CB 0.418 19.425 19.000 0.012 0.000 1.029 342 A HN 1.787 nan 8.150 nan 0.000 0.495 343 H N -0.496 118.555 119.070 -0.031 0.000 2.759 343 H HA 0.596 5.152 4.556 0.000 0.000 0.354 343 H C -1.785 173.506 175.328 -0.061 0.000 1.074 343 H CA -0.525 55.496 56.048 -0.045 0.000 1.226 343 H CB 1.583 31.317 29.762 -0.046 0.000 1.648 343 H HN 0.409 nan 8.280 nan 0.000 0.529 344 V N 5.421 124.884 119.914 -0.752 0.000 2.487 344 V HA 0.553 4.673 4.120 0.000 0.000 0.298 344 V C 0.961 176.587 176.094 -0.780 0.000 1.028 344 V CA 0.051 61.976 62.300 -0.625 0.000 0.860 344 V CB 1.415 33.070 31.823 -0.279 0.000 0.991 344 V HN 1.040 nan 8.190 nan 0.000 0.427 345 G N 3.947 112.360 108.800 -0.645 0.000 2.504 345 G HA2 0.207 4.167 3.960 0.000 0.000 0.257 345 G HA3 0.207 4.167 3.960 0.000 0.000 0.257 345 G C 0.013 174.761 174.900 -0.254 0.000 1.451 345 G CA -0.721 44.153 45.100 -0.376 0.000 1.059 345 G HN 0.828 nan 8.290 nan 0.000 0.550 346 N N -1.532 116.999 118.700 -0.282 0.000 2.524 346 N HA 0.298 5.038 4.740 0.000 0.000 0.283 346 N C -0.911 174.276 175.510 -0.538 0.000 1.142 346 N CA -0.450 52.285 53.050 -0.526 0.000 0.984 346 N CB 1.049 39.009 38.487 -0.878 0.000 1.155 346 N HN 0.350 nan 8.380 nan 0.000 0.467 347 F N -2.027 118.023 119.950 0.167 0.000 3.071 347 F HA -0.175 4.352 4.527 0.000 0.000 0.295 347 F C -0.958 174.892 175.800 0.083 0.000 0.919 347 F CA -0.362 57.698 58.000 0.101 0.000 1.050 347 F CB -2.364 36.670 39.000 0.057 0.000 1.040 347 F HN 0.226 nan 8.300 nan 0.000 0.692 348 V N -0.009 119.986 119.914 0.136 0.000 2.495 348 V HA 0.567 4.687 4.120 0.000 0.000 0.298 348 V C 0.115 176.265 176.094 0.093 0.000 1.031 348 V CA -1.067 61.285 62.300 0.087 0.000 0.871 348 V CB 2.295 34.106 31.823 -0.020 0.000 0.988 348 V HN 0.314 nan 8.190 nan 0.000 0.432 349 E N 4.659 124.937 120.200 0.130 0.000 2.212 349 E HA 0.707 5.057 4.350 0.000 0.000 0.268 349 E C -1.414 175.229 176.600 0.071 0.000 0.902 349 E CA -0.781 55.710 56.400 0.152 0.000 0.779 349 E CB 1.899 31.765 29.700 0.276 0.000 1.172 349 E HN 0.664 nan 8.360 nan 0.000 0.409 350 M N 3.813 123.434 119.600 0.034 0.000 2.263 350 M HA 0.354 4.834 4.480 0.000 0.000 0.295 350 M C -0.965 175.334 176.300 -0.002 0.000 1.028 350 M CA -0.645 54.627 55.300 -0.047 0.000 0.921 350 M CB 2.162 34.731 32.600 -0.053 0.000 1.601 350 M HN 0.286 nan 8.290 nan 0.000 0.440 351 K N 3.145 123.527 120.400 -0.030 0.000 2.471 351 K HA 0.341 4.661 4.320 0.000 0.000 0.252 351 K C -0.744 175.850 176.600 -0.011 0.000 0.938 351 K CA -0.446 55.857 56.287 0.027 0.000 0.796 351 K CB 1.381 33.957 32.500 0.126 0.000 1.161 351 K HN 0.661 nan 8.250 nan 0.000 0.425 352 K N 0.817 121.215 120.400 -0.004 0.000 3.311 352 K HA -0.240 4.080 4.320 0.000 0.000 0.270 352 K C -1.052 175.532 176.600 -0.027 0.000 0.927 352 K CA 0.874 57.155 56.287 -0.010 0.000 0.706 352 K CB -1.063 31.438 32.500 0.001 0.000 1.418 352 K HN 0.629 nan 8.250 nan 0.000 0.459 353 A N 1.093 123.889 122.820 -0.040 0.000 2.454 353 A HA 0.771 5.091 4.320 0.000 0.000 0.302 353 A C -0.828 176.732 177.584 -0.041 0.000 1.079 353 A CA -0.811 51.194 52.037 -0.054 0.000 0.731 353 A CB 1.603 20.543 19.000 -0.100 0.000 1.299 353 A HN 0.360 nan 8.150 nan 0.000 0.413 354 R N 1.035 121.513 120.500 -0.036 0.000 2.480 354 R HA 0.670 5.010 4.340 0.000 0.000 0.306 354 R C -2.065 174.218 176.300 -0.028 0.000 0.958 354 R CA -0.490 55.594 56.100 -0.026 0.000 0.861 354 R CB 1.284 31.575 30.300 -0.016 0.000 1.171 354 R HN 0.613 nan 8.270 nan 0.000 0.445 355 L N 4.237 125.444 121.223 -0.026 0.000 2.305 355 L HA 0.623 4.963 4.340 0.000 0.000 0.284 355 L C 0.193 177.057 176.870 -0.011 0.000 1.013 355 L CA -0.000 54.825 54.840 -0.024 0.000 0.819 355 L CB 1.637 43.676 42.059 -0.033 0.000 1.227 355 L HN 0.858 nan 8.230 nan 0.000 0.417 356 G N 3.520 112.317 108.800 -0.004 0.000 2.683 356 G HA2 0.131 4.091 3.960 0.000 0.000 0.260 356 G HA3 0.131 4.091 3.960 0.000 0.000 0.260 356 G C -0.513 174.392 174.900 0.009 0.000 1.238 356 G CA -0.709 44.392 45.100 0.003 0.000 0.934 356 G HN 0.674 nan 8.290 nan 0.000 0.534 357 K N 0.078 120.484 120.400 0.011 0.000 2.451 357 K HA 0.322 4.642 4.320 0.000 0.000 0.280 357 K C 1.230 177.841 176.600 0.019 0.000 1.020 357 K CA 0.781 57.076 56.287 0.014 0.000 1.008 357 K CB 0.536 33.044 32.500 0.012 0.000 0.917 357 K HN 0.994 nan 8.250 nan 0.000 0.478 358 G N 1.983 110.797 108.800 0.023 0.000 2.196 358 G HA2 -0.306 3.654 3.960 0.000 0.000 0.268 358 G HA3 -0.306 3.654 3.960 0.000 0.000 0.268 358 G C 0.171 175.094 174.900 0.039 0.000 0.975 358 G CA 0.463 45.580 45.100 0.029 0.000 0.648 358 G HN 0.551 nan 8.290 nan 0.000 0.538 359 S N 0.177 115.898 115.700 0.035 0.000 2.617 359 S HA 0.639 5.109 4.470 0.000 0.000 0.269 359 S C 0.278 174.907 174.600 0.047 0.000 1.292 359 S CA 0.439 58.661 58.200 0.036 0.000 1.010 359 S CB 1.100 64.311 63.200 0.018 0.000 0.944 359 S HN 0.776 nan 8.310 nan 0.000 0.536 360 K N -0.471 119.957 120.400 0.046 0.000 2.542 360 K HA 0.749 5.069 4.320 0.000 0.000 0.259 360 K C -1.720 174.879 176.600 -0.001 0.000 0.932 360 K CA -1.069 55.253 56.287 0.058 0.000 0.820 360 K CB 1.920 34.521 32.500 0.169 0.000 1.345 360 K HN 0.473 nan 8.250 nan 0.000 0.432 361 A N 1.388 124.159 122.820 -0.082 0.000 2.646 361 A HA 0.550 4.870 4.320 0.000 0.000 0.312 361 A C 0.503 177.948 177.584 -0.232 0.000 1.245 361 A CA -0.453 51.518 52.037 -0.110 0.000 0.755 361 A CB 0.643 19.583 19.000 -0.100 0.000 1.132 361 A HN 0.951 nan 8.150 nan 0.000 0.458 362 G N 0.727 109.354 108.800 -0.288 0.000 2.777 362 G HA2 0.337 4.297 3.960 0.000 0.000 0.211 362 G HA3 0.337 4.297 3.960 0.000 0.000 0.211 362 G C 0.506 174.937 174.900 -0.781 0.000 1.149 362 G CA 0.417 45.152 45.100 -0.608 0.000 0.785 362 G HN 0.862 nan 8.290 nan 0.000 0.536 363 H N -1.785 117.300 119.070 0.025 0.000 3.112 363 H HA 0.217 4.773 4.556 0.000 0.000 0.347 363 H C -0.351 175.042 175.328 0.108 0.000 1.188 363 H CA -1.324 54.767 56.048 0.072 0.000 1.240 363 H CB 0.670 30.494 29.762 0.104 0.000 1.920 363 H HN -0.079 nan 8.280 nan 0.000 0.535 364 L N 1.092 122.509 121.223 0.324 0.000 3.965 364 L HA -0.212 4.128 4.340 0.000 0.000 0.476 364 L C -0.483 176.491 176.870 0.174 0.000 1.201 364 L CA 0.915 55.909 54.840 0.257 0.000 0.710 364 L CB -1.757 40.426 42.059 0.208 0.000 1.509 364 L HN 0.714 nan 8.230 nan 0.000 0.815 365 T N -1.052 113.594 114.554 0.154 0.000 2.900 365 T HA 0.561 4.911 4.350 0.000 0.000 0.295 365 T C -1.114 173.677 174.700 0.152 0.000 1.044 365 T CA -0.608 61.563 62.100 0.118 0.000 0.995 365 T CB 2.076 70.978 68.868 0.057 0.000 1.072 365 T HN 0.131 nan 8.240 nan 0.000 0.473 366 Y N 3.040 123.359 120.300 0.032 0.000 2.331 366 Y HA 0.677 5.227 4.550 0.000 0.000 0.334 366 Y C -1.717 174.194 175.900 0.019 0.000 0.960 366 Y CA -1.476 56.639 58.100 0.025 0.000 1.130 366 Y CB 0.718 39.194 38.460 0.027 0.000 1.164 366 Y HN 0.489 nan 8.280 nan 0.000 0.458 367 L N 7.018 127.759 121.223 -0.803 0.000 2.342 367 L HA 0.712 5.052 4.340 0.000 0.000 0.276 367 L C 0.113 176.511 176.870 -0.787 0.000 0.997 367 L CA -0.815 53.648 54.840 -0.629 0.000 0.838 367 L CB 1.593 43.484 42.059 -0.281 0.000 1.224 367 L HN 0.899 nan 8.230 nan 0.000 0.416 368 G N 0.755 109.130 108.800 -0.708 0.000 2.513 368 G HA2 0.427 4.387 3.960 0.000 0.000 0.317 368 G HA3 0.427 4.387 3.960 0.000 0.000 0.317 368 G C -0.614 174.233 174.900 -0.088 0.000 1.277 368 G CA -0.352 44.564 45.100 -0.306 0.000 0.955 368 G HN 0.671 nan 8.290 nan 0.000 0.484 369 D N -0.625 119.756 120.400 -0.032 0.000 2.890 369 D HA -0.084 4.556 4.640 0.000 0.000 0.226 369 D C 0.426 176.724 176.300 -0.003 0.000 1.207 369 D CA 1.640 55.640 54.000 0.001 0.000 0.764 369 D CB -0.788 40.033 40.800 0.036 0.000 0.948 369 D HN 0.938 nan 8.370 nan 0.000 0.404 370 A N 1.032 123.836 122.820 -0.028 0.000 2.587 370 A HA 0.654 4.974 4.320 0.000 0.000 0.293 370 A C -0.763 176.807 177.584 -0.022 0.000 1.087 370 A CA -0.741 51.282 52.037 -0.024 0.000 0.692 370 A CB 1.856 20.826 19.000 -0.050 0.000 1.291 370 A HN 0.079 nan 8.150 nan 0.000 0.407 371 E N 1.347 121.540 120.200 -0.012 0.000 2.235 371 E HA 0.428 4.778 4.350 0.000 0.000 0.252 371 E C -1.080 175.515 176.600 -0.009 0.000 0.886 371 E CA -0.380 56.014 56.400 -0.009 0.000 0.767 371 E CB 1.393 31.093 29.700 0.000 0.000 1.205 371 E HN 0.496 nan 8.360 nan 0.000 0.421 372 I N 2.751 123.313 120.570 -0.014 0.000 2.321 372 I HA 0.324 4.495 4.170 0.000 0.000 0.291 372 I C 1.197 177.313 176.117 -0.002 0.000 0.998 372 I CA -0.384 60.910 61.300 -0.010 0.000 1.227 372 I CB 0.734 38.722 38.000 -0.019 0.000 1.368 372 I HN 0.525 nan 8.210 nan 0.000 0.466 373 G N 5.673 114.476 108.800 0.005 0.000 2.529 373 G HA2 0.108 4.068 3.960 0.000 0.000 0.277 373 G HA3 0.108 4.068 3.960 0.000 0.000 0.277 373 G C -0.193 174.714 174.900 0.012 0.000 1.383 373 G CA -0.335 44.771 45.100 0.009 0.000 1.050 373 G HN 0.590 nan 8.290 nan 0.000 0.526 374 D N -0.787 119.623 120.400 0.015 0.000 2.283 374 D HA 0.183 4.823 4.640 0.000 0.000 0.248 374 D C 0.717 177.033 176.300 0.026 0.000 1.072 374 D CA -0.163 53.848 54.000 0.018 0.000 0.929 374 D CB 0.988 41.798 40.800 0.016 0.000 1.182 374 D HN 0.443 nan 8.370 nan 0.000 0.433 375 N N -0.379 118.339 118.700 0.030 0.000 2.735 375 N HA -0.178 4.562 4.740 0.000 0.000 0.248 375 N C -1.506 174.037 175.510 0.055 0.000 1.083 375 N CA 0.271 53.346 53.050 0.041 0.000 0.703 375 N CB -0.899 37.610 38.487 0.037 0.000 1.005 375 N HN 0.150 nan 8.380 nan 0.000 0.550 376 V N 0.877 120.820 119.914 0.048 0.000 2.539 376 V HA 0.383 4.503 4.120 0.000 0.000 0.292 376 V C 0.475 176.602 176.094 0.055 0.000 1.045 376 V CA -0.814 61.517 62.300 0.052 0.000 0.945 376 V CB 1.727 33.566 31.823 0.027 0.000 0.993 376 V HN 0.391 nan 8.190 nan 0.000 0.464 377 N N 4.519 123.260 118.700 0.068 0.000 2.479 377 N HA 0.311 5.051 4.740 0.000 0.000 0.261 377 N C -1.212 174.244 175.510 -0.090 0.000 0.979 377 N CA -0.542 52.533 53.050 0.042 0.000 0.930 377 N CB 1.221 39.810 38.487 0.170 0.000 1.172 377 N HN 0.410 nan 8.380 nan 0.000 0.499 378 I N 2.804 123.334 120.570 -0.068 0.000 2.291 378 I HA 0.212 4.382 4.170 0.000 0.000 0.292 378 I C 1.518 177.585 176.117 -0.084 0.000 1.064 378 I CA -0.495 60.749 61.300 -0.095 0.000 1.269 378 I CB 0.027 37.993 38.000 -0.056 0.000 1.418 378 I HN 0.423 nan 8.210 nan 0.000 0.485 379 G N 4.875 113.570 108.800 -0.176 0.000 2.554 379 G HA2 0.340 4.300 3.960 0.000 0.000 0.238 379 G HA3 0.340 4.300 3.960 0.000 0.000 0.238 379 G C 0.357 175.273 174.900 0.026 0.000 1.259 379 G CA -0.330 44.706 45.100 -0.107 0.000 0.843 379 G HN 0.815 nan 8.290 nan 0.000 0.582 380 A N 0.004 122.893 122.820 0.115 0.000 2.520 380 A HA 0.532 4.852 4.320 0.000 0.000 0.235 380 A C 1.692 179.315 177.584 0.065 0.000 1.065 380 A CA 1.197 53.328 52.037 0.158 0.000 0.764 380 A CB -0.208 18.803 19.000 0.019 0.000 1.002 380 A HN 2.626 nan 8.150 nan 0.000 0.502 381 G N 1.324 110.176 108.800 0.087 0.000 2.179 381 G HA2 -0.214 3.746 3.960 0.000 0.000 0.260 381 G HA3 -0.214 3.746 3.960 0.000 0.000 0.260 381 G C 0.468 175.397 174.900 0.049 0.000 0.977 381 G CA 0.560 45.697 45.100 0.060 0.000 0.641 381 G HN 1.218 nan 8.290 nan 0.000 0.533 382 T N 1.020 115.597 114.554 0.038 0.000 2.901 382 T HA 0.568 4.918 4.350 0.000 0.000 0.301 382 T C 0.407 175.138 174.700 0.052 0.000 1.012 382 T CA 0.552 62.666 62.100 0.023 0.000 1.135 382 T CB 1.256 70.118 68.868 -0.010 0.000 0.936 382 T HN 0.375 nan 8.240 nan 0.000 0.539 383 I N 2.351 122.959 120.570 0.063 0.000 2.619 383 I HA 0.296 4.466 4.170 0.000 0.000 0.292 383 I C 0.281 176.459 176.117 0.102 0.000 1.100 383 I CA -1.005 60.368 61.300 0.121 0.000 1.043 383 I CB 2.477 40.572 38.000 0.158 0.000 1.239 383 I HN 0.603 nan 8.210 nan 0.000 0.420 384 T N 1.203 115.820 114.554 0.106 0.000 2.733 384 T HA 0.298 4.648 4.350 0.000 0.000 0.294 384 T C -0.199 174.617 174.700 0.194 0.000 0.956 384 T CA -0.612 61.537 62.100 0.083 0.000 0.987 384 T CB 0.207 69.059 68.868 -0.025 0.000 0.920 384 T HN 0.557 nan 8.240 nan 0.000 0.470 385 C N 5.736 125.130 119.300 0.157 0.000 2.305 385 C HA 0.250 4.710 4.460 0.000 0.000 0.378 385 C C 1.715 176.833 174.990 0.214 0.000 1.047 385 C CA -0.978 58.149 59.018 0.181 0.000 1.385 385 C CB -2.147 25.669 27.740 0.126 0.000 1.825 385 C HN 0.982 nan 8.230 nan 0.000 0.508 386 N N 0.282 119.141 118.700 0.266 0.000 2.299 386 N HA -0.021 4.719 4.740 0.000 0.000 0.187 386 N C -0.298 175.412 175.510 0.333 0.000 1.099 386 N CA 0.155 53.375 53.050 0.282 0.000 0.867 386 N CB 0.015 38.635 38.487 0.221 0.000 0.974 386 N HN 0.645 nan 8.380 nan 0.000 0.477 387 Y N 1.737 122.128 120.300 0.153 0.000 2.328 387 Y HA 0.324 4.874 4.550 0.000 0.000 0.336 387 Y C -0.189 175.793 175.900 0.137 0.000 0.960 387 Y CA -1.617 56.544 58.100 0.102 0.000 1.134 387 Y CB 1.338 39.831 38.460 0.053 0.000 1.166 387 Y HN 0.008 nan 8.280 nan 0.000 0.464 388 D N 2.341 122.601 120.400 -0.233 0.000 2.363 388 D HA 0.234 4.874 4.640 0.000 0.000 0.214 388 D C 1.389 177.421 176.300 -0.446 0.000 1.093 388 D CA 0.622 54.519 54.000 -0.172 0.000 0.837 388 D CB 0.374 41.252 40.800 0.130 0.000 0.948 388 D HN 0.879 nan 8.370 nan 0.000 0.507 389 G N -0.599 107.481 108.800 -1.199 0.000 2.253 389 G HA2 -0.131 3.829 3.960 0.000 0.000 0.209 389 G HA3 -0.131 3.829 3.960 0.000 0.000 0.209 389 G C 0.861 175.406 174.900 -0.591 0.000 0.997 389 G CA 0.122 44.684 45.100 -0.896 0.000 0.640 389 G HN 0.869 nan 8.290 nan 0.000 0.496 390 A N -0.345 122.176 122.820 -0.499 0.000 1.773 390 A HA 0.603 4.923 4.320 0.000 0.000 0.210 390 A C 0.571 178.101 177.584 -0.090 0.000 1.775 390 A CA 1.277 53.222 52.037 -0.152 0.000 1.157 390 A CB 0.200 19.148 19.000 -0.087 0.000 1.119 390 A HN 0.527 nan 8.150 nan 0.000 0.501 391 N N 0.070 118.655 118.700 -0.192 0.000 2.483 391 N HA 0.579 5.319 4.740 0.000 0.000 0.285 391 N C -0.930 174.335 175.510 -0.408 0.000 1.210 391 N CA -0.521 52.343 53.050 -0.309 0.000 0.931 391 N CB 0.958 39.162 38.487 -0.472 0.000 1.220 391 N HN 0.122 nan 8.380 nan 0.000 0.542 392 K N 0.652 120.734 120.400 -0.530 0.000 2.397 392 K HA 0.438 4.758 4.320 0.000 0.000 0.253 392 K C -1.418 174.837 176.600 -0.574 0.000 0.932 392 K CA -0.483 55.606 56.287 -0.331 0.000 0.795 392 K CB 1.399 33.869 32.500 -0.050 0.000 1.159 392 K HN 0.359 nan 8.250 nan 0.000 0.424 393 F N 1.240 121.232 119.950 0.070 0.000 2.538 393 F HA 0.434 4.961 4.527 0.000 0.000 0.325 393 F C 0.581 176.406 175.800 0.041 0.000 1.066 393 F CA -0.950 57.076 58.000 0.044 0.000 0.946 393 F CB 1.401 40.419 39.000 0.030 0.000 1.199 393 F HN 0.184 nan 8.300 nan 0.000 0.473 394 K N 0.606 121.137 120.400 0.218 0.000 2.098 394 K HA 0.505 4.825 4.320 0.000 0.000 0.261 394 K C -0.936 175.726 176.600 0.104 0.000 0.987 394 K CA -0.257 56.103 56.287 0.121 0.000 0.916 394 K CB 1.220 33.768 32.500 0.079 0.000 1.039 394 K HN 0.726 nan 8.250 nan 0.000 0.455 395 T N 3.723 118.314 114.554 0.061 0.000 2.829 395 T HA 0.501 4.851 4.350 0.000 0.000 0.280 395 T C -0.357 174.356 174.700 0.021 0.000 0.999 395 T CA -0.572 61.551 62.100 0.039 0.000 0.983 395 T CB 0.686 69.568 68.868 0.023 0.000 0.968 395 T HN 0.434 nan 8.240 nan 0.000 0.446 396 I N 3.445 124.026 120.570 0.018 0.000 2.498 396 I HA 0.526 4.696 4.170 0.000 0.000 0.290 396 I C -0.838 175.284 176.117 0.008 0.000 1.032 396 I CA -0.821 60.486 61.300 0.012 0.000 1.073 396 I CB 1.884 39.893 38.000 0.016 0.000 1.251 396 I HN 0.447 nan 8.210 nan 0.000 0.426 397 I N 4.726 125.299 120.570 0.005 0.000 2.478 397 I HA 0.408 4.578 4.170 0.000 0.000 0.287 397 I C 0.711 176.834 176.117 0.010 0.000 1.042 397 I CA -0.414 60.890 61.300 0.007 0.000 1.067 397 I CB 1.962 39.962 38.000 0.000 0.000 1.233 397 I HN 0.646 nan 8.210 nan 0.000 0.431 398 G N 4.369 113.178 108.800 0.015 0.000 2.570 398 G HA2 0.155 4.115 3.960 0.000 0.000 0.276 398 G HA3 0.155 4.115 3.960 0.000 0.000 0.276 398 G C -0.259 174.653 174.900 0.021 0.000 1.346 398 G CA -0.385 44.725 45.100 0.017 0.000 1.034 398 G HN 0.537 nan 8.290 nan 0.000 0.512 399 D N 0.009 120.422 120.400 0.022 0.000 2.360 399 D HA 0.156 4.796 4.640 0.000 0.000 0.242 399 D C 0.196 176.517 176.300 0.035 0.000 1.184 399 D CA 0.141 54.156 54.000 0.026 0.000 0.930 399 D CB 0.494 41.306 40.800 0.021 0.000 1.161 399 D HN 0.420 nan 8.370 nan 0.000 0.447 400 D N -0.943 119.482 120.400 0.042 0.000 2.792 400 D HA -0.161 4.479 4.640 0.000 0.000 0.231 400 D C -0.394 175.953 176.300 0.078 0.000 1.160 400 D CA 0.452 54.485 54.000 0.055 0.000 0.697 400 D CB -1.445 39.379 40.800 0.040 0.000 1.070 400 D HN 0.024 nan 8.370 nan 0.000 0.426 401 V N 0.556 120.519 119.914 0.082 0.000 2.509 401 V HA 0.397 4.517 4.120 0.000 0.000 0.284 401 V C 0.189 176.383 176.094 0.166 0.000 1.047 401 V CA -0.700 61.662 62.300 0.103 0.000 0.952 401 V CB 1.456 33.314 31.823 0.059 0.000 0.988 401 V HN 0.130 nan 8.190 nan 0.000 0.469 402 F N 5.532 125.492 119.950 0.016 0.000 2.375 402 F HA 0.610 5.137 4.527 0.000 0.000 0.361 402 F C -0.252 175.561 175.800 0.022 0.000 1.117 402 F CA -0.564 57.449 58.000 0.021 0.000 1.037 402 F CB 1.244 40.256 39.000 0.020 0.000 1.192 402 F HN 0.250 nan 8.300 nan 0.000 0.452 403 V N 6.699 126.358 119.914 -0.424 0.000 2.364 403 V HA 0.447 4.567 4.120 0.000 0.000 0.272 403 V C 0.953 176.714 176.094 -0.555 0.000 1.036 403 V CA -0.598 61.501 62.300 -0.335 0.000 0.880 403 V CB 0.620 32.332 31.823 -0.184 0.000 0.991 403 V HN 0.936 nan 8.190 nan 0.000 0.460 404 G N 3.795 112.379 108.800 -0.360 0.000 2.690 404 G HA2 0.231 4.191 3.960 0.000 0.000 0.239 404 G HA3 0.231 4.191 3.960 0.000 0.000 0.239 404 G C 0.331 175.133 174.900 -0.162 0.000 1.233 404 G CA -0.305 44.643 45.100 -0.255 0.000 0.847 404 G HN 0.708 nan 8.290 nan 0.000 0.588 405 S N -0.501 115.140 115.700 -0.098 0.000 2.563 405 S HA 0.144 4.614 4.470 0.000 0.000 0.284 405 S C 0.764 175.349 174.600 -0.026 0.000 1.331 405 S CA 0.822 58.992 58.200 -0.050 0.000 1.047 405 S CB 0.707 63.892 63.200 -0.025 0.000 0.859 405 S HN 0.932 nan 8.310 nan 0.000 0.514 406 D N 0.310 120.704 120.400 -0.011 0.000 2.772 406 D HA -0.160 4.480 4.640 0.000 0.000 0.233 406 D C -0.512 175.788 176.300 0.000 0.000 1.143 406 D CA 1.023 55.024 54.000 0.002 0.000 0.700 406 D CB -1.350 39.451 40.800 0.001 0.000 1.076 406 D HN 0.478 nan 8.370 nan 0.000 0.430 407 T N 1.241 115.790 114.554 -0.008 0.000 2.882 407 T HA 0.416 4.766 4.350 0.000 0.000 0.287 407 T C -0.161 174.544 174.700 0.008 0.000 0.992 407 T CA -0.662 61.433 62.100 -0.007 0.000 1.076 407 T CB 1.428 70.280 68.868 -0.027 0.000 0.961 407 T HN 0.231 nan 8.240 nan 0.000 0.490 408 Q N 3.415 123.224 119.800 0.015 0.000 2.333 408 Q HA 0.486 4.826 4.340 0.000 0.000 0.268 408 Q C -1.441 174.574 176.000 0.025 0.000 1.007 408 Q CA -0.843 54.977 55.803 0.029 0.000 0.810 408 Q CB 1.370 30.130 28.738 0.036 0.000 1.264 408 Q HN 0.541 nan 8.270 nan 0.000 0.452 409 L N 2.455 123.696 121.223 0.030 0.000 2.262 409 L HA 0.384 4.724 4.340 0.000 0.000 0.288 409 L C -0.273 176.620 176.870 0.038 0.000 1.035 409 L CA -1.085 53.770 54.840 0.024 0.000 0.820 409 L CB 1.482 43.551 42.059 0.017 0.000 1.204 409 L HN 0.417 nan 8.230 nan 0.000 0.424 410 V N 3.601 123.529 119.914 0.024 0.000 2.313 410 V HA 0.287 4.407 4.120 0.000 0.000 0.252 410 V C 1.032 177.129 176.094 0.004 0.000 1.112 410 V CA -0.455 61.859 62.300 0.022 0.000 0.984 410 V CB 0.354 32.175 31.823 -0.004 0.000 1.157 410 V HN 0.861 nan 8.190 nan 0.000 0.493 411 A N 8.379 131.230 122.820 0.052 0.000 2.466 411 A HA 0.482 4.802 4.320 0.000 0.000 0.238 411 A C -1.843 175.695 177.584 -0.078 0.000 1.074 411 A CA -0.819 51.255 52.037 0.061 0.000 0.774 411 A CB -0.138 18.967 19.000 0.175 0.000 1.015 411 A HN 0.621 nan 8.150 nan 0.000 0.498 412 P HA 0.397 nan 4.420 nan 0.000 0.281 412 P C -0.795 176.484 177.300 -0.035 0.000 1.252 412 P CA 0.057 63.153 63.100 -0.007 0.000 0.778 412 P CB 1.315 33.016 31.700 0.002 0.000 0.895 413 V N 2.761 122.677 119.914 0.004 0.000 3.077 413 V HA 0.512 4.632 4.120 0.000 0.000 0.299 413 V C -1.281 174.818 176.094 0.008 0.000 1.276 413 V CA -0.265 62.033 62.300 -0.004 0.000 0.993 413 V CB 2.632 34.450 31.823 -0.008 0.000 1.076 413 V HN 0.560 nan 8.190 nan 0.000 0.434 414 T N 4.532 119.089 114.554 0.004 0.000 2.824 414 T HA 0.643 4.993 4.350 0.000 0.000 0.282 414 T C -1.001 173.703 174.700 0.008 0.000 0.993 414 T CA -0.349 61.756 62.100 0.008 0.000 0.967 414 T CB 1.583 70.457 68.868 0.009 0.000 0.960 414 T HN 0.633 nan 8.240 nan 0.000 0.441 415 V N 3.081 123.001 119.914 0.010 0.000 2.326 415 V HA 0.548 4.668 4.120 0.000 0.000 0.281 415 V C 1.030 177.134 176.094 0.016 0.000 1.015 415 V CA -0.916 61.392 62.300 0.013 0.000 0.823 415 V CB 1.207 33.038 31.823 0.014 0.000 1.009 415 V HN 1.066 nan 8.190 nan 0.000 0.436 416 G N 4.438 113.248 108.800 0.016 0.000 2.562 416 G HA2 0.149 4.109 3.960 0.000 0.000 0.233 416 G HA3 0.149 4.109 3.960 0.000 0.000 0.233 416 G C 0.235 175.148 174.900 0.022 0.000 1.266 416 G CA -0.419 44.691 45.100 0.017 0.000 0.852 416 G HN 0.886 nan 8.290 nan 0.000 0.581 417 K N 0.627 121.040 120.400 0.021 0.000 2.485 417 K HA 0.383 4.703 4.320 0.000 0.000 0.277 417 K C 1.179 177.796 176.600 0.029 0.000 0.990 417 K CA 0.163 56.465 56.287 0.025 0.000 0.994 417 K CB 0.463 32.975 32.500 0.020 0.000 0.906 417 K HN 1.377 nan 8.250 nan 0.000 0.488 418 G N 0.855 109.677 108.800 0.037 0.000 2.234 418 G HA2 -0.356 3.604 3.960 0.000 0.000 0.260 418 G HA3 -0.356 3.604 3.960 0.000 0.000 0.260 418 G C 0.403 175.333 174.900 0.049 0.000 0.987 418 G CA 0.137 45.261 45.100 0.040 0.000 0.625 418 G HN 1.103 nan 8.290 nan 0.000 0.532 419 A N -0.321 122.530 122.820 0.051 0.000 2.448 419 A HA 0.613 4.933 4.320 0.000 0.000 0.239 419 A C 0.593 178.234 177.584 0.096 0.000 1.080 419 A CA 1.556 53.628 52.037 0.058 0.000 0.779 419 A CB 0.355 19.383 19.000 0.045 0.000 1.026 419 A HN 0.948 nan 8.150 nan 0.000 0.499 420 T N 1.421 116.036 114.554 0.101 0.000 2.879 420 T HA 0.514 4.864 4.350 0.000 0.000 0.290 420 T C -0.555 174.226 174.700 0.135 0.000 0.993 420 T CA 0.024 62.227 62.100 0.171 0.000 0.975 420 T CB 0.692 69.653 68.868 0.155 0.000 0.981 420 T HN 0.433 nan 8.240 nan 0.000 0.439 421 I N 2.858 123.509 120.570 0.136 0.000 2.339 421 I HA 0.542 4.712 4.170 0.000 0.000 0.290 421 I C 0.838 177.009 176.117 0.090 0.000 0.994 421 I CA -0.745 60.600 61.300 0.074 0.000 1.191 421 I CB 1.292 39.305 38.000 0.022 0.000 1.343 421 I HN 0.728 nan 8.210 nan 0.000 0.458 422 A N 5.195 128.061 122.820 0.077 0.000 2.483 422 A HA 0.563 4.883 4.320 0.000 0.000 0.238 422 A C 0.594 178.207 177.584 0.048 0.000 1.070 422 A CA -0.233 51.850 52.037 0.078 0.000 0.770 422 A CB 0.175 19.207 19.000 0.053 0.000 1.008 422 A HN 0.844 nan 8.150 nan 0.000 0.497 423 A N 0.920 123.773 122.820 0.055 0.000 2.511 423 A HA 0.484 4.804 4.320 0.000 0.000 0.242 423 A C 1.541 179.133 177.584 0.014 0.000 1.069 423 A CA 0.677 52.729 52.037 0.026 0.000 0.763 423 A CB -0.781 18.240 19.000 0.036 0.000 1.001 423 A HN 2.795 nan 8.150 nan 0.000 0.498 424 G N 2.135 110.937 108.800 0.004 0.000 2.221 424 G HA2 -0.170 3.790 3.960 0.000 0.000 0.265 424 G HA3 -0.170 3.790 3.960 0.000 0.000 0.265 424 G C 0.291 175.194 174.900 0.004 0.000 1.041 424 G CA 0.529 45.631 45.100 0.003 0.000 0.807 424 G HN 1.131 nan 8.290 nan 0.000 0.502 425 T N 0.644 115.201 114.554 0.005 0.000 2.907 425 T HA 0.591 4.941 4.350 0.000 0.000 0.284 425 T C 0.378 175.081 174.700 0.005 0.000 1.004 425 T CA 0.246 62.350 62.100 0.006 0.000 1.063 425 T CB 1.409 70.283 68.868 0.010 0.000 0.992 425 T HN 0.157 nan 8.240 nan 0.000 0.483 426 T N 2.987 117.544 114.554 0.004 0.000 2.874 426 T HA 0.357 4.707 4.350 0.000 0.000 0.321 426 T C -0.014 174.687 174.700 0.002 0.000 1.075 426 T CA -0.453 61.650 62.100 0.005 0.000 0.966 426 T CB 0.312 69.182 68.868 0.003 0.000 1.001 426 T HN 0.318 nan 8.240 nan 0.000 0.476 427 V N 4.863 124.778 119.914 0.003 0.000 2.427 427 V HA 0.228 4.348 4.120 0.000 0.000 0.268 427 V C 1.533 177.623 176.094 -0.007 0.000 1.046 427 V CA -0.037 62.262 62.300 -0.000 0.000 0.970 427 V CB 0.501 32.325 31.823 0.002 0.000 1.001 427 V HN 1.068 nan 8.190 nan 0.000 0.476 428 T N 2.022 116.567 114.554 -0.014 0.000 2.955 428 T HA 0.307 4.657 4.350 0.000 0.000 0.251 428 T C 0.698 175.377 174.700 -0.034 0.000 1.002 428 T CA -0.194 61.890 62.100 -0.028 0.000 0.970 428 T CB 0.419 69.270 68.868 -0.029 0.000 1.091 428 T HN 0.500 nan 8.240 nan 0.000 0.495 429 R N 1.311 121.797 120.500 -0.023 0.000 2.854 429 R HA 0.542 4.882 4.340 0.000 0.000 0.271 429 R C -0.948 175.343 176.300 -0.014 0.000 0.996 429 R CA -1.064 55.023 56.100 -0.023 0.000 0.961 429 R CB 0.684 30.974 30.300 -0.018 0.000 1.182 429 R HN 0.062 nan 8.270 nan 0.000 0.479 430 N N 0.428 119.120 118.700 -0.013 0.000 2.441 430 N HA 0.052 4.792 4.740 0.000 0.000 0.251 430 N C -0.585 174.925 175.510 0.000 0.000 1.242 430 N CA 0.146 53.193 53.050 -0.005 0.000 0.898 430 N CB 0.646 39.130 38.487 -0.004 0.000 1.100 430 N HN 0.188 nan 8.380 nan 0.000 0.443 431 V N 0.814 120.731 119.914 0.005 0.000 2.398 431 V HA 0.488 4.608 4.120 0.000 0.000 0.286 431 V C 1.242 177.343 176.094 0.011 0.000 1.026 431 V CA -0.965 61.341 62.300 0.010 0.000 0.868 431 V CB 1.191 33.023 31.823 0.015 0.000 0.982 431 V HN 0.730 nan 8.190 nan 0.000 0.443 432 G N 3.325 112.131 108.800 0.011 0.000 2.667 432 G HA2 0.258 4.218 3.960 0.000 0.000 0.250 432 G HA3 0.258 4.218 3.960 0.000 0.000 0.250 432 G C -0.103 174.806 174.900 0.015 0.000 1.212 432 G CA -0.460 44.647 45.100 0.011 0.000 0.874 432 G HN 0.755 nan 8.290 nan 0.000 0.561 433 E N 0.689 120.898 120.200 0.014 0.000 2.354 433 E HA 0.036 4.386 4.350 0.000 0.000 0.269 433 E C 0.041 176.651 176.600 0.017 0.000 1.036 433 E CA -0.340 56.070 56.400 0.016 0.000 0.876 433 E CB 0.516 30.224 29.700 0.013 0.000 1.009 433 E HN 0.537 nan 8.360 nan 0.000 0.416 434 N N -0.634 118.079 118.700 0.021 0.000 2.708 434 N HA -0.213 4.527 4.740 0.000 0.000 0.251 434 N C -0.827 174.694 175.510 0.019 0.000 1.123 434 N CA 1.169 54.230 53.050 0.019 0.000 0.739 434 N CB -1.141 37.353 38.487 0.012 0.000 1.113 434 N HN 0.547 nan 8.380 nan 0.000 0.561 435 A N 0.176 123.010 122.820 0.023 0.000 2.337 435 A HA 0.733 5.053 4.320 0.000 0.000 0.331 435 A C -0.028 177.575 177.584 0.031 0.000 1.137 435 A CA -0.649 51.401 52.037 0.022 0.000 0.807 435 A CB 1.391 20.402 19.000 0.018 0.000 1.250 435 A HN 0.192 nan 8.150 nan 0.000 0.468 436 L N 2.283 123.523 121.223 0.029 0.000 2.264 436 L HA 0.658 4.998 4.340 0.000 0.000 0.287 436 L C 0.366 177.256 176.870 0.033 0.000 1.039 436 L CA 0.001 54.864 54.840 0.038 0.000 0.829 436 L CB 0.609 42.688 42.059 0.033 0.000 1.211 436 L HN 0.758 nan 8.230 nan 0.000 0.427 437 A N 6.599 129.441 122.820 0.036 0.000 2.362 437 A HA 0.606 4.926 4.320 0.000 0.000 0.276 437 A C -0.428 177.173 177.584 0.028 0.000 1.153 437 A CA -0.260 51.793 52.037 0.026 0.000 0.813 437 A CB 0.140 19.154 19.000 0.023 0.000 1.081 437 A HN 0.841 nan 8.150 nan 0.000 0.507 438 I N 1.813 122.395 120.570 0.020 0.000 3.095 438 I HA 0.649 4.819 4.170 0.000 0.000 0.310 438 I C -0.268 175.856 176.117 0.012 0.000 1.196 438 I CA -0.208 61.104 61.300 0.019 0.000 0.985 438 I CB 2.448 40.461 38.000 0.021 0.000 1.250 438 I HN 0.746 nan 8.210 nan 0.000 0.446 439 S N 4.545 120.250 115.700 0.010 0.000 2.751 439 S HA 0.343 4.813 4.470 0.000 0.000 0.148 439 S C -0.742 173.860 174.600 0.003 0.000 1.057 439 S CA -0.924 57.279 58.200 0.005 0.000 1.103 439 S CB 0.021 63.223 63.200 0.003 0.000 1.709 439 S HN 0.875 nan 8.310 nan 0.000 0.484 440 R N 0.039 120.541 120.500 0.003 0.000 2.803 440 R HA 0.874 5.214 4.340 0.000 0.000 0.276 440 R C -1.351 174.947 176.300 -0.003 0.000 0.978 440 R CA -0.962 55.139 56.100 0.001 0.000 0.939 440 R CB 1.452 31.754 30.300 0.003 0.000 1.179 440 R HN 0.120 nan 8.270 nan 0.000 0.472 441 V N 2.716 122.626 119.914 -0.007 0.000 2.546 441 V HA 0.296 4.416 4.120 0.000 0.000 0.284 441 V C -1.886 174.201 176.094 -0.011 0.000 1.050 441 V CA -1.752 60.542 62.300 -0.010 0.000 0.981 441 V CB 1.031 32.845 31.823 -0.015 0.000 0.990 441 V HN 0.775 nan 8.190 nan 0.000 0.474 442 P HA 0.116 nan 4.420 nan 0.000 0.271 442 P C -0.359 176.932 177.300 -0.016 0.000 1.220 442 P CA -0.160 62.934 63.100 -0.010 0.000 0.768 442 P CB 0.302 31.998 31.700 -0.008 0.000 0.848 443 Q N 2.560 122.350 119.800 -0.017 0.000 2.244 443 Q HA 0.109 4.449 4.340 0.000 0.000 0.278 443 Q C 0.024 176.009 176.000 -0.025 0.000 1.093 443 Q CA 0.227 56.016 55.803 -0.024 0.000 0.916 443 Q CB 0.214 28.939 28.738 -0.022 0.000 1.159 443 Q HN 0.591 nan 8.270 nan 0.000 0.384 444 T N 1.066 115.600 114.554 -0.034 0.000 0.000 444 T HA 0.555 4.905 4.350 0.000 0.000 0.000 444 T C -0.511 174.164 174.700 -0.041 0.000 0.000 444 T CA -0.811 61.270 62.100 -0.031 0.000 0.000 444 T CB 1.857 70.708 68.868 -0.029 0.000 0.000 444 T HN 0.668 nan 8.240 nan 0.000 0.000 445 Q N -0.732 119.048 119.800 -0.033 0.000 2.416 445 Q HA 0.523 4.863 4.340 0.000 0.000 0.281 445 Q C -1.827 174.159 176.000 -0.022 0.000 1.067 445 Q CA -0.879 54.903 55.803 -0.036 0.000 0.809 445 Q CB 1.966 30.693 28.738 -0.017 0.000 1.418 445 Q HN 0.645 nan 8.270 nan 0.000 0.411 446 K N 2.573 122.960 120.400 -0.021 0.000 2.579 446 K HA 0.246 4.566 4.320 0.000 0.000 0.250 446 K C -1.109 175.549 176.600 0.097 0.000 0.952 446 K CA -0.560 55.750 56.287 0.037 0.000 0.857 446 K CB 1.371 33.886 32.500 0.024 0.000 1.123 446 K HN 0.619 nan 8.250 nan 0.000 0.433 447 E N 0.216 120.472 120.200 0.093 0.000 2.408 447 E HA 0.047 4.397 4.350 0.000 0.000 0.259 447 E C 0.660 177.340 176.600 0.134 0.000 1.110 447 E CA 0.212 56.669 56.400 0.095 0.000 0.929 447 E CB 0.422 30.159 29.700 0.062 0.000 0.971 447 E HN 0.809 nan 8.360 nan 0.000 0.438 448 G N 1.607 110.473 108.800 0.109 0.000 2.412 448 G HA2 -0.269 3.691 3.960 0.000 0.000 0.297 448 G HA3 -0.269 3.691 3.960 0.000 0.000 0.297 448 G C -0.515 174.457 174.900 0.119 0.000 0.965 448 G CA 0.547 45.702 45.100 0.091 0.000 1.134 448 G HN 0.459 nan 8.290 nan 0.000 0.511 449 W N 0.220 121.521 121.300 0.000 0.000 2.322 449 W HA 0.653 5.313 4.660 0.000 0.000 0.307 449 W C 0.507 177.025 176.519 -0.000 0.000 1.220 449 W CA 0.018 57.364 57.345 0.000 0.000 1.210 449 W CB 0.485 29.945 29.460 0.000 0.000 1.223 449 W HN 0.653 nan 8.180 nan 0.000 0.511 450 R N 4.776 124.974 120.500 -0.503 0.000 2.393 450 R HA 0.612 4.952 4.340 0.000 0.000 0.310 450 R C -0.553 175.402 176.300 -0.575 0.000 0.968 450 R CA -0.972 54.902 56.100 -0.375 0.000 0.867 450 R CB 0.826 30.962 30.300 -0.274 0.000 1.124 450 R HN 0.696 nan 8.270 nan 0.000 0.450 451 R N 2.437 122.803 120.500 -0.223 0.000 2.539 451 R HA 0.334 4.674 4.340 0.000 0.000 0.275 451 R C -1.422 174.788 176.300 -0.150 0.000 1.077 451 R CA -0.742 55.281 56.100 -0.129 0.000 1.097 451 R CB 0.336 30.677 30.300 0.067 0.000 1.018 451 R HN 0.688 nan 8.270 nan 0.000 0.483 452 P HA 0.000 nan 4.420 nan 0.000 0.216 452 P CA 0.000 63.049 63.100 -0.084 0.000 0.800 452 P CB 0.000 31.678 31.700 -0.037 0.000 0.726