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 1r6b_1_X DATA FIRST_RESID 1 DATA SEQUENCE MLNQELELSL NMAFARAREH RHEFMTVEHL LLALLSNPSA REALEACSVD DATA SEQUENCE LVALRQELEA FIEQTTPVLP ASEEERDTQP TLSFQRVLQR AVFHVQSSGR DATA SEQUENCE NEVTGANVLV AIFSEQESQA AYLLRKHEVS RLDVVNFISH GXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXLE NFTTNLNQLA RVGGIDPLIG REKELERAIQ DATA SEQUENCE VLCRRRKNNP LLVGESGVGK TAIAEGLAWR IVQGDVPEVM ADCTIYSLDI DATA SEQUENCE GXXXAGTKYR GDFEKRFKAL LKQLEQDTNS ILFIDEIHTI IGAGAASGGQ DATA SEQUENCE VDAANLIKPL LSSGKIRVIG STTYQEFSNI FEKDRALARR FQKIDITEPS DATA SEQUENCE IEETVQIING LKPKYEAHHD VRYTAKAVRA AVELAVKYIN DRHLPDKAID DATA SEQUENCE VIDEAGARAR LMPVSKRKKT VNVADIESVV ARIARIPEKS VSQSDRDTLK DATA SEQUENCE NLGDRLKMLV FGQDKAIEAL TEAIKMARAG LGHEHKPVGS FLFAGPTGVG DATA SEQUENCE KTEVTVQLSK ALGIELLRFD MSEYMERHTV SRLIGAPPGY VGFDQGGLLT DATA SEQUENCE DAVIKHPHAV LLLDEIEKAH PDVFNILLQV MDNGTLTDNN GRKADFRNVV DATA SEQUENCE LVMTTNAGVR XXXXXXXXXX XXXXXXXAME EIKKIFTPEF RNRLDNIIWF DATA SEQUENCE DHLSTDVIHQ VVDKFIVELQ VQLDQKGVSL EVSQEARNWL AEKGYDRAMG DATA SEQUENCE ARPMARVIQD NLKKPLANEL LFGSLVDGGQ VTVALDKEKN ELTYGFQSAQ DATA SEQUENCE K 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.319 176.300 0.031 0.000 1.140 1 M CA 0.000 55.318 55.300 0.030 0.000 0.988 1 M CB 0.000 32.623 32.600 0.038 0.000 1.302 2 L N 1.349 122.591 121.223 0.033 0.000 2.334 2 L HA 0.505 4.845 4.340 -0.000 0.000 0.275 2 L C 0.370 177.258 176.870 0.031 0.000 1.036 2 L CA -1.047 53.813 54.840 0.035 0.000 0.807 2 L CB 0.829 42.914 42.059 0.042 0.000 1.231 2 L HN 0.093 nan 8.230 nan 0.000 0.438 3 N N 1.139 119.857 118.700 0.031 0.000 2.307 3 N HA -0.096 4.644 4.740 -0.000 0.000 0.230 3 N C 0.713 176.242 175.510 0.031 0.000 1.297 3 N CA 0.177 53.244 53.050 0.029 0.000 0.884 3 N CB 0.557 39.062 38.487 0.031 0.000 1.115 3 N HN 0.658 nan 8.380 nan 0.000 0.436 4 Q N 1.081 120.898 119.800 0.027 0.000 2.079 4 Q HA -0.145 4.195 4.340 -0.000 0.000 0.200 4 Q C 0.766 176.786 176.000 0.033 0.000 0.974 4 Q CA 1.407 57.227 55.803 0.027 0.000 0.840 4 Q CB 0.057 28.808 28.738 0.023 0.000 0.898 4 Q HN 0.610 nan 8.270 nan 0.000 0.430 5 E N 0.758 120.979 120.200 0.035 0.000 2.106 5 E HA -0.146 4.204 4.350 -0.000 0.000 0.192 5 E C 2.194 178.823 176.600 0.048 0.000 0.984 5 E CA 0.839 57.263 56.400 0.039 0.000 0.806 5 E CB -0.077 29.645 29.700 0.037 0.000 0.750 5 E HN 0.365 nan 8.360 nan 0.000 0.458 6 L N 1.018 122.270 121.223 0.048 0.000 2.027 6 L HA -0.196 4.144 4.340 -0.000 0.000 0.206 6 L C 2.404 179.318 176.870 0.073 0.000 1.074 6 L CA 1.518 56.392 54.840 0.056 0.000 0.745 6 L CB -0.137 41.950 42.059 0.047 0.000 0.898 6 L HN 0.153 nan 8.230 nan 0.000 0.433 7 E N -0.216 120.022 120.200 0.063 0.000 2.204 7 E HA -0.261 4.089 4.350 -0.000 0.000 0.194 7 E C 2.201 178.844 176.600 0.072 0.000 0.989 7 E CA 0.797 57.237 56.400 0.067 0.000 0.824 7 E CB 0.045 29.771 29.700 0.044 0.000 0.756 7 E HN 0.490 nan 8.360 nan 0.000 0.477 8 L N -0.192 121.070 121.223 0.064 0.000 2.044 8 L HA -0.107 4.232 4.340 -0.000 0.000 0.205 8 L C 2.204 179.128 176.870 0.089 0.000 1.075 8 L CA 1.222 56.101 54.840 0.065 0.000 0.747 8 L CB -0.136 41.954 42.059 0.051 0.000 0.903 8 L HN 0.009 nan 8.230 nan 0.000 0.435 9 S N 0.065 115.820 115.700 0.092 0.000 2.400 9 S HA -0.148 4.322 4.470 -0.000 0.000 0.232 9 S C 1.866 176.562 174.600 0.159 0.000 1.025 9 S CA 1.519 59.783 58.200 0.107 0.000 0.993 9 S CB -0.400 62.852 63.200 0.088 0.000 0.808 9 S HN 0.390 nan 8.310 nan 0.000 0.478 10 L N 1.431 122.769 121.223 0.192 0.000 2.056 10 L HA -0.107 4.233 4.340 -0.000 0.000 0.207 10 L C 2.189 179.289 176.870 0.383 0.000 1.078 10 L CA 0.899 55.930 54.840 0.319 0.000 0.749 10 L CB -0.665 41.587 42.059 0.322 0.000 0.901 10 L HN 0.254 nan 8.230 nan 0.000 0.433 11 N N -0.288 118.547 118.700 0.225 0.000 2.120 11 N HA -0.144 4.595 4.740 -0.000 0.000 0.188 11 N C 1.802 177.432 175.510 0.199 0.000 1.024 11 N CA 1.260 54.417 53.050 0.178 0.000 0.852 11 N CB -0.185 38.346 38.487 0.074 0.000 1.003 11 N HN 0.196 nan 8.380 nan 0.000 0.424 12 M N 0.510 120.205 119.600 0.158 0.000 2.229 12 M HA 0.049 4.529 4.480 -0.000 0.000 0.264 12 M C 2.017 178.407 176.300 0.150 0.000 1.063 12 M CA 0.691 56.070 55.300 0.132 0.000 1.114 12 M CB -1.252 31.409 32.600 0.102 0.000 1.387 12 M HN 0.100 nan 8.290 nan 0.000 0.420 13 A N -1.180 121.746 122.820 0.177 0.000 1.970 13 A HA -0.049 4.271 4.320 -0.000 0.000 0.216 13 A C 2.027 179.668 177.584 0.095 0.000 1.170 13 A CA 0.764 52.889 52.037 0.146 0.000 0.645 13 A CB -0.778 18.318 19.000 0.160 0.000 0.816 13 A HN 0.343 nan 8.150 nan 0.000 0.447 14 F N 0.121 120.103 119.950 0.053 0.000 2.259 14 F HA -0.011 4.516 4.527 -0.000 0.000 0.298 14 F C 2.667 178.478 175.800 0.019 0.000 1.088 14 F CA 0.965 58.971 58.000 0.009 0.000 1.358 14 F CB -0.061 38.942 39.000 0.006 0.000 1.040 14 F HN 0.272 nan 8.300 nan 0.000 0.505 15 A N 0.227 123.180 122.820 0.221 0.000 1.873 15 A HA -0.219 4.101 4.320 -0.000 0.000 0.215 15 A C 2.200 179.854 177.584 0.117 0.000 1.186 15 A CA 1.753 53.876 52.037 0.142 0.000 0.616 15 A CB -0.778 18.291 19.000 0.115 0.000 0.823 15 A HN 0.360 nan 8.150 nan 0.000 0.442 16 R N -0.148 120.427 120.500 0.125 0.000 2.120 16 R HA -0.040 4.300 4.340 -0.000 0.000 0.234 16 R C 1.977 178.355 176.300 0.131 0.000 1.123 16 R CA 1.516 57.707 56.100 0.150 0.000 0.975 16 R CB -0.402 29.972 30.300 0.124 0.000 0.866 16 R HN 0.382 nan 8.270 nan 0.000 0.446 17 A N 0.771 123.632 122.820 0.069 0.000 2.119 17 A HA -0.016 4.304 4.320 -0.000 0.000 0.217 17 A C 1.726 179.301 177.584 -0.014 0.000 1.153 17 A CA 0.763 52.810 52.037 0.017 0.000 0.692 17 A CB -0.148 18.773 19.000 -0.131 0.000 0.799 17 A HN 0.390 nan 8.150 nan 0.000 0.458 18 R N -0.127 120.387 120.500 0.023 0.000 2.312 18 R HA 0.047 4.387 4.340 -0.000 0.000 0.205 18 R C 1.298 177.598 176.300 -0.000 0.000 0.904 18 R CA 0.861 56.969 56.100 0.013 0.000 1.052 18 R CB 0.105 30.431 30.300 0.043 0.000 1.014 18 R HN 0.818 nan 8.270 nan 0.000 0.503 19 E N -0.228 119.981 120.200 0.014 0.000 2.389 19 E HA -0.003 4.347 4.350 -0.000 0.000 0.199 19 E C 1.132 177.672 176.600 -0.099 0.000 0.978 19 E CA 0.292 56.677 56.400 -0.024 0.000 0.912 19 E CB 0.061 29.759 29.700 -0.004 0.000 0.907 19 E HN 0.423 nan 8.360 nan 0.000 0.494 20 H N 0.979 119.938 119.070 -0.186 0.000 2.563 20 H HA 0.245 4.801 4.556 -0.000 0.000 0.264 20 H C 0.296 175.416 175.328 -0.346 0.000 0.957 20 H CA 0.331 56.188 56.048 -0.319 0.000 1.173 20 H CB 0.462 29.855 29.762 -0.616 0.000 1.420 20 H HN 0.042 nan 8.280 nan 0.000 0.551 21 R N 1.452 121.873 120.500 -0.131 0.000 3.423 21 R HA -0.152 4.188 4.340 -0.000 0.000 0.271 21 R C -0.962 175.314 176.300 -0.039 0.000 1.093 21 R CA 0.003 56.055 56.100 -0.079 0.000 0.730 21 R CB -1.618 28.650 30.300 -0.053 0.000 1.190 21 R HN 0.347 nan 8.270 nan 0.000 0.437 22 H N 0.318 119.397 119.070 0.015 0.000 2.764 22 H HA -0.001 4.555 4.556 -0.000 0.000 0.341 22 H C 1.269 176.511 175.328 -0.142 0.000 1.072 22 H CA 0.380 56.411 56.048 -0.028 0.000 1.444 22 H CB 1.303 31.067 29.762 0.005 0.000 1.458 22 H HN 0.377 nan 8.280 nan 0.000 0.572 23 E N 2.635 122.790 120.200 -0.075 0.000 2.112 23 E HA -0.044 4.306 4.350 -0.000 0.000 0.190 23 E C -0.439 175.813 176.600 -0.580 0.000 0.979 23 E CA 0.627 56.796 56.400 -0.385 0.000 0.814 23 E CB 0.364 29.728 29.700 -0.560 0.000 0.762 23 E HN 0.254 nan 8.360 nan 0.000 0.460 24 F N 0.236 120.126 119.950 -0.100 0.000 2.522 24 F HA 0.382 4.909 4.527 -0.000 0.000 0.324 24 F C 0.028 175.588 175.800 -0.400 0.000 1.077 24 F CA -1.127 56.760 58.000 -0.189 0.000 0.944 24 F CB 1.682 40.615 39.000 -0.113 0.000 1.175 24 F HN -0.120 nan 8.300 nan 0.000 0.468 25 M N 3.388 122.798 119.600 -0.318 0.000 2.066 25 M HA 0.393 4.873 4.480 -0.000 0.000 0.340 25 M C -0.197 175.862 176.300 -0.401 0.000 1.053 25 M CA -0.214 54.638 55.300 -0.747 0.000 0.983 25 M CB 0.511 32.462 32.600 -1.082 0.000 1.520 25 M HN 0.718 nan 8.290 nan 0.000 0.428 26 T N 0.986 115.533 114.554 -0.012 0.000 2.893 26 T HA 0.511 4.860 4.350 -0.000 0.000 0.279 26 T C 0.908 175.878 174.700 0.450 0.000 0.991 26 T CA -0.824 61.443 62.100 0.278 0.000 0.950 26 T CB 0.723 69.773 68.868 0.302 0.000 1.223 26 T HN 0.362 nan 8.240 nan 0.000 0.585 27 V N 0.936 121.033 119.914 0.304 0.000 2.515 27 V HA -0.062 4.058 4.120 -0.000 0.000 0.250 27 V C 2.665 178.842 176.094 0.139 0.000 1.058 27 V CA 1.863 64.274 62.300 0.184 0.000 1.064 27 V CB -1.149 30.713 31.823 0.064 0.000 0.675 27 V HN 0.828 nan 8.190 nan 0.000 0.461 28 E N -0.510 119.777 120.200 0.146 0.000 2.150 28 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 28 E C 2.077 178.717 176.600 0.067 0.000 0.985 28 E CA 1.071 57.516 56.400 0.074 0.000 0.814 28 E CB -0.363 29.402 29.700 0.108 0.000 0.752 28 E HN 0.726 nan 8.360 nan 0.000 0.466 29 H N -0.554 118.576 119.070 0.099 0.000 2.353 29 H HA -0.076 4.480 4.556 -0.000 0.000 0.300 29 H C 1.790 177.189 175.328 0.118 0.000 1.090 29 H CA 1.270 57.366 56.048 0.079 0.000 1.327 29 H CB -0.066 29.719 29.762 0.038 0.000 1.383 29 H HN 0.060 nan 8.280 nan 0.000 0.508 30 L N 0.366 121.783 121.223 0.324 0.000 1.994 30 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 30 L C 2.129 179.049 176.870 0.083 0.000 1.071 30 L CA 1.471 56.441 54.840 0.217 0.000 0.745 30 L CB -0.898 41.205 42.059 0.073 0.000 0.892 30 L HN 0.351 nan 8.230 nan 0.000 0.431 31 L N -1.233 120.010 121.223 0.034 0.000 2.042 31 L HA -0.241 4.099 4.340 -0.000 0.000 0.210 31 L C 2.553 179.419 176.870 -0.007 0.000 1.076 31 L CA 1.670 56.498 54.840 -0.021 0.000 0.749 31 L CB -0.349 41.674 42.059 -0.060 0.000 0.893 31 L HN 0.422 nan 8.230 nan 0.000 0.432 32 L N 0.253 121.483 121.223 0.013 0.000 1.989 32 L HA -0.202 4.138 4.340 -0.000 0.000 0.211 32 L C 2.649 179.537 176.870 0.031 0.000 1.071 32 L CA 2.236 57.082 54.840 0.009 0.000 0.749 32 L CB -0.840 41.218 42.059 -0.001 0.000 0.890 32 L HN 0.228 nan 8.230 nan 0.000 0.431 33 A N -0.605 122.256 122.820 0.068 0.000 1.940 33 A HA -0.189 4.131 4.320 -0.000 0.000 0.219 33 A C 2.237 179.852 177.584 0.053 0.000 1.176 33 A CA 1.929 54.015 52.037 0.080 0.000 0.631 33 A CB -1.007 18.070 19.000 0.127 0.000 0.814 33 A HN 0.524 nan 8.150 nan 0.000 0.446 34 L N -0.414 120.830 121.223 0.035 0.000 2.353 34 L HA -0.148 4.192 4.340 -0.000 0.000 0.220 34 L C 2.077 178.945 176.870 -0.003 0.000 1.133 34 L CA 0.604 55.452 54.840 0.013 0.000 0.798 34 L CB -0.559 41.495 42.059 -0.009 0.000 0.922 34 L HN 0.430 nan 8.230 nan 0.000 0.445 35 L N -1.450 119.769 121.223 -0.007 0.000 2.291 35 L HA -0.088 4.252 4.340 -0.000 0.000 0.214 35 L C 2.285 179.153 176.870 -0.004 0.000 1.120 35 L CA 0.596 55.424 54.840 -0.020 0.000 0.799 35 L CB -0.294 41.749 42.059 -0.026 0.000 0.925 35 L HN 0.151 nan 8.230 nan 0.000 0.446 36 S N -1.157 114.551 115.700 0.014 0.000 2.486 36 S HA 0.003 4.473 4.470 -0.000 0.000 0.220 36 S C 0.929 175.544 174.600 0.025 0.000 1.011 36 S CA -0.174 58.039 58.200 0.022 0.000 0.921 36 S CB -0.198 63.023 63.200 0.036 0.000 0.785 36 S HN 0.377 nan 8.310 nan 0.000 0.517 37 N N 2.491 121.207 118.700 0.026 0.000 2.452 37 N HA 0.070 4.810 4.740 -0.000 0.000 0.266 37 N C -2.236 173.288 175.510 0.024 0.000 1.175 37 N CA -1.487 51.581 53.050 0.030 0.000 0.945 37 N CB 1.336 39.843 38.487 0.033 0.000 1.063 37 N HN -0.075 nan 8.380 nan 0.000 0.472 38 P HA -0.197 nan 4.420 nan 0.000 0.215 38 P C 1.453 178.782 177.300 0.049 0.000 1.163 38 P CA 1.887 65.009 63.100 0.036 0.000 0.894 38 P CB 0.058 31.782 31.700 0.041 0.000 0.791 39 S N -0.360 115.379 115.700 0.065 0.000 2.356 39 S HA -0.161 4.309 4.470 -0.000 0.000 0.223 39 S C 2.170 176.815 174.600 0.074 0.000 1.032 39 S CA 1.383 59.648 58.200 0.108 0.000 1.005 39 S CB -1.642 61.624 63.200 0.110 0.000 0.867 39 S HN 0.153 nan 8.310 nan 0.000 0.449 40 A N 2.313 125.151 122.820 0.029 0.000 1.930 40 A HA -0.025 4.295 4.320 -0.000 0.000 0.217 40 A C 2.321 179.862 177.584 -0.071 0.000 1.175 40 A CA 1.407 53.435 52.037 -0.015 0.000 0.627 40 A CB -0.753 18.242 19.000 -0.009 0.000 0.815 40 A HN 0.543 nan 8.150 nan 0.000 0.443 41 R N -0.025 120.446 120.500 -0.048 0.000 2.080 41 R HA -0.180 4.160 4.340 -0.000 0.000 0.236 41 R C 1.988 178.220 176.300 -0.115 0.000 1.137 41 R CA 1.943 58.003 56.100 -0.066 0.000 0.943 41 R CB -0.338 29.945 30.300 -0.028 0.000 0.846 41 R HN 0.681 nan 8.270 nan 0.000 0.431 42 E N -0.310 119.831 120.200 -0.097 0.000 2.153 42 E HA -0.173 4.177 4.350 -0.000 0.000 0.194 42 E C 1.871 178.117 176.600 -0.592 0.000 0.988 42 E CA 1.038 57.349 56.400 -0.148 0.000 0.811 42 E CB -0.056 29.701 29.700 0.095 0.000 0.746 42 E HN 0.466 nan 8.360 nan 0.000 0.466 43 A N 1.011 123.377 122.820 -0.756 0.000 1.898 43 A HA -0.117 4.203 4.320 -0.000 0.000 0.216 43 A C 2.140 179.388 177.584 -0.560 0.000 1.181 43 A CA 0.905 52.261 52.037 -1.134 0.000 0.620 43 A CB -0.458 18.233 19.000 -0.516 0.000 0.819 43 A HN 0.126 nan 8.150 nan 0.000 0.442 44 L N -0.869 120.167 121.223 -0.312 0.000 2.217 44 L HA -0.124 4.216 4.340 -0.000 0.000 0.211 44 L C 2.421 179.190 176.870 -0.169 0.000 1.107 44 L CA 1.160 55.886 54.840 -0.189 0.000 0.783 44 L CB -0.436 41.536 42.059 -0.144 0.000 0.919 44 L HN 0.444 nan 8.230 nan 0.000 0.442 45 E N 0.265 120.354 120.200 -0.185 0.000 2.152 45 E HA -0.134 4.215 4.350 -0.000 0.000 0.192 45 E C 2.272 178.805 176.600 -0.112 0.000 0.983 45 E CA 0.923 57.251 56.400 -0.120 0.000 0.818 45 E CB -0.070 29.576 29.700 -0.090 0.000 0.758 45 E HN 0.468 nan 8.360 nan 0.000 0.467 46 A N 0.185 122.889 122.820 -0.193 0.000 2.066 46 A HA -0.119 4.201 4.320 -0.000 0.000 0.218 46 A C 1.953 179.498 177.584 -0.065 0.000 1.157 46 A CA 0.680 52.650 52.037 -0.113 0.000 0.670 46 A CB -0.240 18.662 19.000 -0.164 0.000 0.804 46 A HN 0.331 nan 8.150 nan 0.000 0.453 47 C N -0.604 118.641 119.300 -0.091 0.000 2.754 47 C HA 0.441 4.901 4.460 -0.000 0.000 0.276 47 C C 1.328 176.304 174.990 -0.023 0.000 1.264 47 C CA 0.285 59.278 59.018 -0.041 0.000 1.700 47 C CB -1.598 26.121 27.740 -0.036 0.000 1.885 47 C HN 0.732 nan 8.230 nan 0.000 0.607 48 S N 0.691 116.372 115.700 -0.031 0.000 3.667 48 S HA -0.150 4.320 4.470 -0.000 0.000 0.405 48 S C -0.416 174.181 174.600 -0.006 0.000 0.913 48 S CA 0.120 58.311 58.200 -0.015 0.000 1.288 48 S CB -1.092 62.108 63.200 -0.001 0.000 0.905 48 S HN 0.451 nan 8.310 nan 0.000 0.550 49 V N 3.090 122.986 119.914 -0.030 0.000 2.417 49 V HA 0.377 4.497 4.120 -0.000 0.000 0.291 49 V C 0.387 176.449 176.094 -0.053 0.000 1.024 49 V CA -0.535 61.742 62.300 -0.039 0.000 0.861 49 V CB 1.795 33.550 31.823 -0.113 0.000 0.985 49 V HN 0.697 nan 8.190 nan 0.000 0.436 50 D N 4.060 124.455 120.400 -0.008 0.000 2.348 50 D HA 0.149 4.789 4.640 -0.000 0.000 0.259 50 D C 1.136 177.394 176.300 -0.070 0.000 1.296 50 D CA 0.059 54.055 54.000 -0.007 0.000 0.931 50 D CB 0.590 41.422 40.800 0.053 0.000 1.067 50 D HN 0.486 nan 8.370 nan 0.000 0.503 51 L N 3.160 124.336 121.223 -0.079 0.000 2.265 51 L HA -0.136 4.203 4.340 -0.000 0.000 0.215 51 L C 2.006 178.839 176.870 -0.063 0.000 1.117 51 L CA 0.308 55.090 54.840 -0.097 0.000 0.782 51 L CB -0.288 41.727 42.059 -0.073 0.000 0.914 51 L HN 0.429 nan 8.230 nan 0.000 0.441 52 V N 0.125 120.023 119.914 -0.027 0.000 2.323 52 V HA -0.193 3.927 4.120 -0.000 0.000 0.244 52 V C 2.804 178.905 176.094 0.013 0.000 1.041 52 V CA 1.660 63.957 62.300 -0.005 0.000 1.025 52 V CB -0.844 30.982 31.823 0.005 0.000 0.656 52 V HN 0.449 nan 8.190 nan 0.000 0.451 53 A N -0.438 122.406 122.820 0.040 0.000 1.933 53 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 53 A C 2.281 179.933 177.584 0.113 0.000 1.175 53 A CA 1.824 53.922 52.037 0.102 0.000 0.628 53 A CB -0.519 18.598 19.000 0.194 0.000 0.814 53 A HN 0.477 nan 8.150 nan 0.000 0.444 54 L N -1.236 119.978 121.223 -0.016 0.000 2.109 54 L HA -0.142 4.198 4.340 -0.000 0.000 0.207 54 L C 2.743 179.597 176.870 -0.027 0.000 1.086 54 L CA 1.712 56.495 54.840 -0.095 0.000 0.760 54 L CB -0.268 41.572 42.059 -0.365 0.000 0.910 54 L HN 0.479 nan 8.230 nan 0.000 0.437 55 R N -0.314 120.169 120.500 -0.028 0.000 2.083 55 R HA -0.205 4.135 4.340 -0.000 0.000 0.237 55 R C 2.323 178.633 176.300 0.017 0.000 1.137 55 R CA 1.650 57.746 56.100 -0.007 0.000 0.951 55 R CB -0.237 30.061 30.300 -0.004 0.000 0.851 55 R HN 0.359 nan 8.270 nan 0.000 0.434 56 Q N 0.397 120.214 119.800 0.029 0.000 2.050 56 Q HA -0.181 4.159 4.340 -0.000 0.000 0.202 56 Q C 2.073 178.104 176.000 0.051 0.000 0.980 56 Q CA 1.942 57.768 55.803 0.037 0.000 0.840 56 Q CB -0.175 28.582 28.738 0.031 0.000 0.898 56 Q HN 0.581 nan 8.270 nan 0.000 0.424 57 E N 0.505 120.747 120.200 0.070 0.000 2.110 57 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 57 E C 2.213 178.874 176.600 0.102 0.000 0.988 57 E CA 0.588 57.044 56.400 0.093 0.000 0.804 57 E CB -0.035 29.746 29.700 0.134 0.000 0.745 57 E HN 0.225 nan 8.360 nan 0.000 0.458 58 L N 0.782 122.046 121.223 0.068 0.000 2.027 58 L HA -0.187 4.153 4.340 -0.000 0.000 0.206 58 L C 2.350 179.253 176.870 0.056 0.000 1.074 58 L CA 1.243 56.117 54.840 0.058 0.000 0.745 58 L CB -0.231 41.831 42.059 0.005 0.000 0.898 58 L HN 0.118 nan 8.230 nan 0.000 0.433 59 E N -0.107 120.107 120.200 0.024 0.000 2.085 59 E HA -0.245 4.104 4.350 -0.000 0.000 0.194 59 E C 2.239 178.851 176.600 0.021 0.000 0.994 59 E CA 1.186 57.587 56.400 0.001 0.000 0.801 59 E CB -0.163 29.549 29.700 0.020 0.000 0.743 59 E HN 0.509 nan 8.360 nan 0.000 0.453 60 A N 0.931 123.783 122.820 0.053 0.000 1.877 60 A HA -0.195 4.125 4.320 -0.000 0.000 0.216 60 A C 1.990 179.601 177.584 0.045 0.000 1.186 60 A CA 1.183 53.249 52.037 0.049 0.000 0.620 60 A CB -0.750 18.282 19.000 0.053 0.000 0.822 60 A HN 0.348 nan 8.150 nan 0.000 0.443 61 F N 0.537 120.463 119.950 -0.040 0.000 2.134 61 F HA -0.139 4.388 4.527 -0.000 0.000 0.299 61 F C 1.952 177.699 175.800 -0.088 0.000 1.097 61 F CA 1.657 59.627 58.000 -0.050 0.000 1.264 61 F CB -0.225 38.755 39.000 -0.034 0.000 1.001 61 F HN 0.178 nan 8.300 nan 0.000 0.479 62 I N 0.234 120.757 120.570 -0.078 0.000 2.163 62 I HA -0.286 3.884 4.170 -0.000 0.000 0.243 62 I C 2.374 178.307 176.117 -0.307 0.000 1.085 62 I CA 1.461 62.591 61.300 -0.283 0.000 1.347 62 I CB -0.492 37.268 38.000 -0.400 0.000 1.044 62 I HN 0.143 nan 8.210 nan 0.000 0.408 63 E N 0.408 120.517 120.200 -0.151 0.000 2.150 63 E HA -0.216 4.134 4.350 -0.000 0.000 0.193 63 E C 2.180 178.727 176.600 -0.089 0.000 0.985 63 E CA 1.114 57.490 56.400 -0.039 0.000 0.814 63 E CB -0.133 29.601 29.700 0.057 0.000 0.752 63 E HN 0.614 nan 8.360 nan 0.000 0.466 64 Q N -0.415 119.282 119.800 -0.171 0.000 2.123 64 Q HA -0.073 4.267 4.340 -0.000 0.000 0.199 64 Q C 2.033 177.888 176.000 -0.241 0.000 0.966 64 Q CA 1.839 57.533 55.803 -0.183 0.000 0.845 64 Q CB 0.093 28.712 28.738 -0.199 0.000 0.907 64 Q HN 0.316 nan 8.270 nan 0.000 0.439 65 T N -3.560 110.753 114.554 -0.402 0.000 3.015 65 T HA 0.089 4.439 4.350 -0.000 0.000 0.250 65 T C 0.919 175.491 174.700 -0.212 0.000 1.057 65 T CA -0.113 61.760 62.100 -0.378 0.000 1.066 65 T CB 0.172 68.622 68.868 -0.697 0.000 0.959 65 T HN -0.115 nan 8.240 nan 0.000 0.488 66 T N 4.915 119.342 114.554 -0.212 0.000 2.761 66 T HA 0.431 4.781 4.350 -0.000 0.000 0.296 66 T C -2.631 172.064 174.700 -0.008 0.000 0.934 66 T CA -0.923 61.112 62.100 -0.109 0.000 1.091 66 T CB 1.009 69.688 68.868 -0.315 0.000 0.896 66 T HN 0.199 nan 8.240 nan 0.000 0.515 67 P HA 0.273 nan 4.420 nan 0.000 0.276 67 P C -0.793 176.551 177.300 0.073 0.000 1.230 67 P CA -0.465 62.673 63.100 0.064 0.000 0.776 67 P CB 0.480 32.228 31.700 0.079 0.000 0.888 68 V N 4.074 124.034 119.914 0.076 0.000 2.539 68 V HA 0.290 4.410 4.120 -0.000 0.000 0.292 68 V C 0.878 176.977 176.094 0.009 0.000 1.045 68 V CA -0.352 61.994 62.300 0.077 0.000 0.945 68 V CB 1.400 33.272 31.823 0.082 0.000 0.993 68 V HN 0.471 nan 8.190 nan 0.000 0.464 69 L N 3.917 125.129 121.223 -0.018 0.000 3.255 69 L HA 0.338 4.678 4.340 -0.000 0.000 0.293 69 L C -2.285 174.565 176.870 -0.033 0.000 1.302 69 L CA -0.971 53.845 54.840 -0.039 0.000 0.977 69 L CB 1.308 43.320 42.059 -0.079 0.000 1.390 69 L HN 0.562 nan 8.230 nan 0.000 0.588 70 P HA 0.389 nan 4.420 nan 0.000 0.281 70 P C -0.233 177.056 177.300 -0.017 0.000 1.286 70 P CA 0.185 63.272 63.100 -0.021 0.000 0.772 70 P CB 1.751 33.439 31.700 -0.019 0.000 0.862 71 A N 2.241 125.050 122.820 -0.018 0.000 5.450 71 A HA 0.767 5.087 4.320 -0.000 0.000 0.198 71 A C -0.448 177.128 177.584 -0.014 0.000 0.883 71 A CA -0.112 51.916 52.037 -0.014 0.000 0.784 71 A CB 0.258 19.249 19.000 -0.014 0.000 2.043 71 A HN 0.333 nan 8.150 nan 0.000 0.994 72 S N -0.743 114.950 115.700 -0.012 0.000 2.837 72 S HA 0.677 5.146 4.470 -0.000 0.000 0.314 72 S C -0.603 173.991 174.600 -0.011 0.000 1.098 72 S CA -0.092 58.101 58.200 -0.011 0.000 0.903 72 S CB 0.702 63.898 63.200 -0.008 0.000 1.310 72 S HN 0.729 nan 8.310 nan 0.000 0.581 73 E N 1.089 121.284 120.200 -0.009 0.000 3.675 73 E HA -0.223 4.127 4.350 -0.000 0.000 0.252 73 E C -0.632 175.962 176.600 -0.010 0.000 1.502 73 E CA 1.101 57.496 56.400 -0.009 0.000 2.293 73 E CB -0.874 28.822 29.700 -0.007 0.000 2.078 73 E HN 0.771 nan 8.360 nan 0.000 0.461 74 E N 2.359 122.553 120.200 -0.009 0.000 2.104 74 E HA 0.264 4.614 4.350 -0.000 0.000 0.278 74 E C 0.258 176.850 176.600 -0.014 0.000 1.127 74 E CA 0.340 56.734 56.400 -0.010 0.000 0.897 74 E CB 0.466 30.162 29.700 -0.007 0.000 1.043 74 E HN 0.196 nan 8.360 nan 0.000 0.410 75 E N 1.996 122.184 120.200 -0.019 0.000 2.446 75 E HA 0.476 4.826 4.350 -0.000 0.000 0.267 75 E C -0.445 176.135 176.600 -0.032 0.000 0.955 75 E CA -0.913 55.470 56.400 -0.028 0.000 0.842 75 E CB 1.760 31.441 29.700 -0.033 0.000 1.504 75 E HN 0.224 nan 8.360 nan 0.000 0.438 76 R N 0.212 120.683 120.500 -0.049 0.000 2.893 76 R HA 0.396 4.735 4.340 -0.000 0.000 0.245 76 R C -0.437 175.825 176.300 -0.064 0.000 1.192 76 R CA -0.631 55.436 56.100 -0.054 0.000 1.077 76 R CB 0.716 30.976 30.300 -0.066 0.000 1.253 76 R HN 0.436 nan 8.270 nan 0.000 0.505 77 D N -0.322 120.044 120.400 -0.057 0.000 2.560 77 D HA 0.165 4.805 4.640 -0.000 0.000 0.277 77 D C -0.311 175.941 176.300 -0.081 0.000 1.194 77 D CA -0.400 53.571 54.000 -0.048 0.000 1.092 77 D CB 0.329 41.122 40.800 -0.011 0.000 1.169 77 D HN 0.273 nan 8.370 nan 0.000 0.607 78 T N 0.639 115.164 114.554 -0.049 0.000 2.851 78 T HA 0.204 4.554 4.350 -0.000 0.000 0.298 78 T C 0.039 174.701 174.700 -0.064 0.000 0.977 78 T CA 0.020 62.064 62.100 -0.094 0.000 1.126 78 T CB 0.595 69.415 68.868 -0.080 0.000 0.916 78 T HN 0.221 nan 8.240 nan 0.000 0.529 79 Q N 3.967 123.696 119.800 -0.119 0.000 2.304 79 Q HA 0.377 4.717 4.340 -0.000 0.000 0.270 79 Q C -2.907 173.066 176.000 -0.046 0.000 1.035 79 Q CA -2.435 53.351 55.803 -0.029 0.000 0.781 79 Q CB 2.042 30.792 28.738 0.019 0.000 1.261 79 Q HN 0.262 nan 8.270 nan 0.000 0.444 80 P HA 0.019 nan 4.420 nan 0.000 0.268 80 P C -0.524 176.780 177.300 0.007 0.000 1.204 80 P CA 0.173 63.109 63.100 -0.273 0.000 0.768 80 P CB 0.699 32.294 31.700 -0.175 0.000 0.842 81 T N 0.403 114.973 114.554 0.027 0.000 2.813 81 T HA 0.103 4.453 4.350 -0.000 0.000 0.297 81 T C 1.240 176.007 174.700 0.111 0.000 1.036 81 T CA -0.549 61.577 62.100 0.042 0.000 1.044 81 T CB 0.258 69.098 68.868 -0.046 0.000 0.993 81 T HN 0.078 nan 8.240 nan 0.000 0.535 82 L N 1.252 122.507 121.223 0.054 0.000 2.079 82 L HA -0.056 4.284 4.340 -0.000 0.000 0.210 82 L C 2.971 179.890 176.870 0.082 0.000 1.081 82 L CA 1.988 56.867 54.840 0.064 0.000 0.752 82 L CB -0.939 41.134 42.059 0.023 0.000 0.896 82 L HN 0.938 nan 8.230 nan 0.000 0.433 83 S N -1.573 114.171 115.700 0.072 0.000 2.383 83 S HA -0.225 4.245 4.470 -0.000 0.000 0.227 83 S C 2.052 176.716 174.600 0.107 0.000 1.026 83 S CA 1.187 59.428 58.200 0.068 0.000 0.981 83 S CB -0.495 62.733 63.200 0.047 0.000 0.818 83 S HN 0.484 nan 8.310 nan 0.000 0.472 84 F N 1.979 121.936 119.950 0.011 0.000 2.102 84 F HA -0.086 4.441 4.527 -0.000 0.000 0.298 84 F C 2.458 178.284 175.800 0.042 0.000 1.105 84 F CA 1.862 59.877 58.000 0.026 0.000 1.239 84 F CB -0.406 38.607 39.000 0.021 0.000 0.991 84 F HN 0.266 nan 8.300 nan 0.000 0.474 85 Q N -0.124 119.856 119.800 0.300 0.000 2.124 85 Q HA -0.223 4.117 4.340 -0.000 0.000 0.202 85 Q C 2.380 178.416 176.000 0.060 0.000 0.977 85 Q CA 1.498 57.417 55.803 0.192 0.000 0.850 85 Q CB -0.374 28.478 28.738 0.190 0.000 0.901 85 Q HN 0.436 nan 8.270 nan 0.000 0.429 86 R N 0.485 121.013 120.500 0.048 0.000 2.081 86 R HA -0.143 4.197 4.340 -0.000 0.000 0.235 86 R C 2.134 178.431 176.300 -0.005 0.000 1.131 86 R CA 1.259 57.371 56.100 0.020 0.000 0.960 86 R CB -0.120 30.193 30.300 0.022 0.000 0.856 86 R HN 0.104 nan 8.270 nan 0.000 0.436 87 V N 1.456 121.340 119.914 -0.049 0.000 2.261 87 V HA -0.265 3.855 4.120 -0.000 0.000 0.246 87 V C 2.442 178.488 176.094 -0.080 0.000 1.047 87 V CA 1.747 64.001 62.300 -0.077 0.000 1.015 87 V CB -0.422 31.312 31.823 -0.148 0.000 0.642 87 V HN 0.354 nan 8.190 nan 0.000 0.446 88 L N -0.540 120.597 121.223 -0.144 0.000 2.083 88 L HA -0.257 4.082 4.340 -0.000 0.000 0.209 88 L C 2.648 179.519 176.870 0.002 0.000 1.083 88 L CA 1.881 56.666 54.840 -0.092 0.000 0.752 88 L CB -0.489 41.501 42.059 -0.116 0.000 0.899 88 L HN 0.420 nan 8.230 nan 0.000 0.433 89 Q N -0.004 119.809 119.800 0.021 0.000 2.167 89 Q HA -0.237 4.103 4.340 -0.000 0.000 0.202 89 Q C 2.328 178.390 176.000 0.103 0.000 0.970 89 Q CA 1.270 57.109 55.803 0.059 0.000 0.855 89 Q CB 0.075 28.838 28.738 0.041 0.000 0.911 89 Q HN 0.306 nan 8.270 nan 0.000 0.438 90 R N -0.479 120.074 120.500 0.087 0.000 2.092 90 R HA -0.107 4.233 4.340 -0.000 0.000 0.231 90 R C 1.965 178.377 176.300 0.187 0.000 1.119 90 R CA 1.190 57.379 56.100 0.148 0.000 0.970 90 R CB -0.190 30.173 30.300 0.104 0.000 0.864 90 R HN 0.281 nan 8.270 nan 0.000 0.440 91 A N 0.144 123.029 122.820 0.109 0.000 1.897 91 A HA -0.045 4.275 4.320 -0.000 0.000 0.215 91 A C 2.195 179.850 177.584 0.118 0.000 1.181 91 A CA 1.213 53.304 52.037 0.089 0.000 0.620 91 A CB -0.352 18.664 19.000 0.026 0.000 0.821 91 A HN 0.205 nan 8.150 nan 0.000 0.443 92 V N -1.229 118.756 119.914 0.119 0.000 2.343 92 V HA -0.238 3.882 4.120 -0.000 0.000 0.247 92 V C 2.265 178.458 176.094 0.165 0.000 1.051 92 V CA 2.079 64.450 62.300 0.120 0.000 1.036 92 V CB -0.906 30.982 31.823 0.108 0.000 0.654 92 V HN 0.649 nan 8.190 nan 0.000 0.451 93 F N 0.034 120.018 119.950 0.058 0.000 2.134 93 F HA -0.228 4.299 4.527 -0.000 0.000 0.299 93 F C 2.611 178.445 175.800 0.058 0.000 1.097 93 F CA 2.122 60.151 58.000 0.047 0.000 1.264 93 F CB -0.265 38.757 39.000 0.038 0.000 1.001 93 F HN 0.232 nan 8.300 nan 0.000 0.479 94 H N -0.043 119.004 119.070 -0.038 0.000 2.321 94 H HA -0.134 4.422 4.556 -0.000 0.000 0.300 94 H C 2.319 177.560 175.328 -0.145 0.000 1.087 94 H CA 2.208 58.181 56.048 -0.126 0.000 1.319 94 H CB -0.469 29.292 29.762 -0.002 0.000 1.379 94 H HN 0.214 nan 8.280 nan 0.000 0.501 95 V N 1.285 121.286 119.914 0.144 0.000 2.343 95 V HA -0.265 3.855 4.120 -0.000 0.000 0.247 95 V C 2.641 178.724 176.094 -0.018 0.000 1.051 95 V CA 2.063 64.410 62.300 0.079 0.000 1.036 95 V CB -0.519 31.340 31.823 0.059 0.000 0.654 95 V HN 0.440 nan 8.190 nan 0.000 0.451 96 Q N -0.409 119.354 119.800 -0.062 0.000 2.119 96 Q HA -0.140 4.200 4.340 -0.000 0.000 0.201 96 Q C 2.408 178.308 176.000 -0.167 0.000 0.972 96 Q CA 1.768 57.518 55.803 -0.088 0.000 0.847 96 Q CB -0.182 28.524 28.738 -0.053 0.000 0.903 96 Q HN 0.582 nan 8.270 nan 0.000 0.433 97 S N 0.122 115.630 115.700 -0.319 0.000 2.481 97 S HA -0.018 4.452 4.470 -0.000 0.000 0.231 97 S C 1.778 176.230 174.600 -0.246 0.000 0.996 97 S CA 0.606 58.585 58.200 -0.369 0.000 0.942 97 S CB 0.129 62.941 63.200 -0.647 0.000 0.768 97 S HN 0.195 nan 8.310 nan 0.000 0.520 98 S N 0.008 115.598 115.700 -0.183 0.000 2.524 98 S HA 0.331 4.801 4.470 -0.000 0.000 0.216 98 S C 1.428 175.988 174.600 -0.067 0.000 0.987 98 S CA 0.499 58.635 58.200 -0.106 0.000 0.909 98 S CB 0.356 63.549 63.200 -0.012 0.000 0.781 98 S HN 0.698 nan 8.310 nan 0.000 0.521 99 G N 1.977 110.738 108.800 -0.065 0.000 2.132 99 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.228 99 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.228 99 G C -0.127 174.754 174.900 -0.031 0.000 1.000 99 G CA -0.476 44.597 45.100 -0.046 0.000 0.693 99 G HN 0.415 nan 8.290 nan 0.000 0.515 100 R N -0.226 120.260 120.500 -0.023 0.000 2.540 100 R HA 0.419 4.759 4.340 -0.000 0.000 0.287 100 R C 1.237 177.533 176.300 -0.007 0.000 0.980 100 R CA -0.371 55.721 56.100 -0.012 0.000 0.966 100 R CB 0.822 31.121 30.300 -0.002 0.000 1.106 100 R HN 0.175 nan 8.270 nan 0.000 0.480 101 N N 1.051 119.748 118.700 -0.005 0.000 2.142 101 N HA -0.112 4.628 4.740 -0.000 0.000 0.186 101 N C -0.441 175.073 175.510 0.007 0.000 1.023 101 N CA 1.217 54.267 53.050 -0.000 0.000 0.852 101 N CB 0.531 39.017 38.487 -0.001 0.000 0.998 101 N HN 0.515 nan 8.380 nan 0.000 0.424 102 E N -0.260 119.946 120.200 0.010 0.000 2.383 102 E HA 0.284 4.634 4.350 -0.000 0.000 0.275 102 E C -1.356 175.255 176.600 0.020 0.000 0.918 102 E CA -0.703 55.707 56.400 0.016 0.000 0.764 102 E CB 3.174 32.884 29.700 0.016 0.000 1.252 102 E HN -0.179 nan 8.360 nan 0.000 0.449 103 V N 2.179 122.108 119.914 0.026 0.000 2.530 103 V HA 0.225 4.345 4.120 -0.000 0.000 0.282 103 V C 0.556 176.666 176.094 0.026 0.000 1.048 103 V CA -0.029 62.287 62.300 0.026 0.000 0.997 103 V CB 0.778 32.620 31.823 0.031 0.000 0.987 103 V HN 0.830 nan 8.190 nan 0.000 0.477 104 T N 1.561 116.130 114.554 0.024 0.000 2.938 104 T HA 0.541 4.890 4.350 -0.000 0.000 0.285 104 T C 1.342 176.059 174.700 0.029 0.000 1.028 104 T CA 0.011 62.130 62.100 0.031 0.000 1.005 104 T CB 1.656 70.547 68.868 0.038 0.000 1.157 104 T HN 0.663 nan 8.240 nan 0.000 0.550 105 G N -0.035 108.786 108.800 0.035 0.000 2.422 105 G HA2 0.024 3.984 3.960 -0.000 0.000 0.218 105 G HA3 0.024 3.984 3.960 -0.000 0.000 0.218 105 G C 1.711 176.628 174.900 0.028 0.000 1.146 105 G CA 0.792 45.909 45.100 0.028 0.000 0.769 105 G HN 1.101 nan 8.290 nan 0.000 0.547 106 A N 1.290 124.141 122.820 0.052 0.000 1.933 106 A HA -0.095 4.224 4.320 -0.000 0.000 0.218 106 A C 2.269 179.882 177.584 0.048 0.000 1.175 106 A CA 1.762 53.843 52.037 0.073 0.000 0.628 106 A CB -0.393 18.698 19.000 0.153 0.000 0.814 106 A HN 0.365 nan 8.150 nan 0.000 0.444 107 N N 0.206 118.918 118.700 0.020 0.000 2.188 107 N HA -0.114 4.626 4.740 -0.000 0.000 0.184 107 N C 1.707 177.204 175.510 -0.022 0.000 1.018 107 N CA 1.625 54.659 53.050 -0.027 0.000 0.858 107 N CB -0.423 38.049 38.487 -0.025 0.000 0.989 107 N HN 0.301 nan 8.380 nan 0.000 0.426 108 V N 1.982 121.891 119.914 -0.007 0.000 2.427 108 V HA -0.124 3.996 4.120 -0.000 0.000 0.248 108 V C 2.461 178.546 176.094 -0.016 0.000 1.051 108 V CA 0.875 63.161 62.300 -0.023 0.000 1.048 108 V CB -0.460 31.339 31.823 -0.040 0.000 0.666 108 V HN 0.254 nan 8.190 nan 0.000 0.456 109 L N -0.262 120.966 121.223 0.008 0.000 2.042 109 L HA -0.177 4.162 4.340 -0.000 0.000 0.210 109 L C 2.460 179.429 176.870 0.165 0.000 1.076 109 L CA 1.512 56.369 54.840 0.028 0.000 0.749 109 L CB -0.166 41.927 42.059 0.057 0.000 0.893 109 L HN 0.196 nan 8.230 nan 0.000 0.432 110 V N -0.051 119.963 119.914 0.167 0.000 2.343 110 V HA -0.313 3.807 4.120 -0.000 0.000 0.247 110 V C 2.729 178.947 176.094 0.205 0.000 1.051 110 V CA 1.768 64.194 62.300 0.209 0.000 1.036 110 V CB -0.960 30.839 31.823 -0.039 0.000 0.654 110 V HN 0.573 nan 8.190 nan 0.000 0.451 111 A N -0.301 122.565 122.820 0.077 0.000 1.972 111 A HA -0.170 4.150 4.320 -0.000 0.000 0.219 111 A C 2.166 179.783 177.584 0.055 0.000 1.169 111 A CA 1.760 53.836 52.037 0.064 0.000 0.635 111 A CB -0.580 18.435 19.000 0.025 0.000 0.810 111 A HN 0.536 nan 8.150 nan 0.000 0.446 112 I N -1.661 118.908 120.570 -0.002 0.000 2.361 112 I HA -0.249 3.921 4.170 -0.000 0.000 0.251 112 I C 1.952 178.002 176.117 -0.111 0.000 1.133 112 I CA 1.166 62.403 61.300 -0.106 0.000 1.413 112 I CB -0.370 37.498 38.000 -0.219 0.000 1.073 112 I HN 0.325 nan 8.210 nan 0.000 0.424 113 F N 0.515 120.458 119.950 -0.012 0.000 2.307 113 F HA -0.188 4.339 4.527 -0.000 0.000 0.301 113 F C 2.499 178.303 175.800 0.007 0.000 1.076 113 F CA 1.057 59.055 58.000 -0.003 0.000 1.383 113 F CB -0.452 38.546 39.000 -0.004 0.000 1.055 113 F HN -0.044 nan 8.300 nan 0.000 0.526 114 S N -1.298 114.504 115.700 0.170 0.000 2.603 114 S HA -0.010 4.460 4.470 -0.000 0.000 0.220 114 S C 0.664 175.303 174.600 0.065 0.000 0.967 114 S CA 0.242 58.509 58.200 0.112 0.000 0.920 114 S CB -0.186 63.077 63.200 0.105 0.000 0.773 114 S HN 0.135 nan 8.310 nan 0.000 0.529 115 E N 2.408 122.631 120.200 0.038 0.000 1.892 115 E HA 0.149 4.499 4.350 -0.000 0.000 0.271 115 E C 0.767 177.376 176.600 0.016 0.000 1.146 115 E CA -0.152 56.256 56.400 0.014 0.000 1.096 115 E CB 0.158 29.850 29.700 -0.013 0.000 1.155 115 E HN 0.369 nan 8.360 nan 0.000 0.458 116 Q N 0.679 120.498 119.800 0.032 0.000 2.173 116 Q HA -0.199 4.141 4.340 -0.000 0.000 0.208 116 Q C 0.612 176.627 176.000 0.024 0.000 0.989 116 Q CA 1.424 57.249 55.803 0.037 0.000 0.872 116 Q CB 0.149 28.910 28.738 0.038 0.000 0.909 116 Q HN 0.528 nan 8.270 nan 0.000 0.420 117 E N 0.824 121.029 120.200 0.009 0.000 2.419 117 E HA 0.061 4.411 4.350 -0.000 0.000 0.190 117 E C 0.146 176.731 176.600 -0.024 0.000 1.040 117 E CA -0.221 56.176 56.400 -0.005 0.000 0.900 117 E CB 0.503 30.199 29.700 -0.006 0.000 1.054 117 E HN 0.158 nan 8.360 nan 0.000 0.462 118 S N -0.079 115.606 115.700 -0.025 0.000 2.632 118 S HA 0.065 4.535 4.470 -0.000 0.000 0.271 118 S C 1.048 175.588 174.600 -0.100 0.000 1.260 118 S CA -0.588 57.579 58.200 -0.055 0.000 1.010 118 S CB 2.067 65.239 63.200 -0.047 0.000 0.965 118 S HN 0.023 nan 8.310 nan 0.000 0.534 119 Q N 2.176 121.841 119.800 -0.225 0.000 2.123 119 Q HA 0.109 4.449 4.340 -0.000 0.000 0.199 119 Q C 2.106 178.001 176.000 -0.174 0.000 0.966 119 Q CA 1.957 57.541 55.803 -0.366 0.000 0.845 119 Q CB -0.957 27.112 28.738 -1.116 0.000 0.907 119 Q HN 0.937 nan 8.270 nan 0.000 0.439 120 A N 0.652 123.370 122.820 -0.170 0.000 1.865 120 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 120 A C 2.336 179.831 177.584 -0.147 0.000 1.191 120 A CA 2.181 54.137 52.037 -0.135 0.000 0.623 120 A CB -1.392 17.536 19.000 -0.120 0.000 0.826 120 A HN 0.554 nan 8.150 nan 0.000 0.444 121 A N -1.659 121.077 122.820 -0.140 0.000 1.933 121 A HA -0.114 4.206 4.320 -0.000 0.000 0.218 121 A C 2.144 179.691 177.584 -0.061 0.000 1.175 121 A CA 1.675 53.611 52.037 -0.167 0.000 0.628 121 A CB -0.863 18.082 19.000 -0.092 0.000 0.814 121 A HN 0.842 nan 8.150 nan 0.000 0.444 122 Y N 0.489 120.718 120.300 -0.118 0.000 2.165 122 Y HA -0.191 4.359 4.550 -0.000 0.000 0.286 122 Y C 1.886 177.752 175.900 -0.057 0.000 1.155 122 Y CA 1.970 60.021 58.100 -0.081 0.000 1.164 122 Y CB -0.217 38.180 38.460 -0.105 0.000 0.978 122 Y HN 0.213 nan 8.280 nan 0.000 0.513 123 L N -0.386 120.761 121.223 -0.127 0.000 2.093 123 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 123 L C 2.430 179.273 176.870 -0.046 0.000 1.085 123 L CA 0.944 55.710 54.840 -0.123 0.000 0.755 123 L CB -0.529 41.541 42.059 0.019 0.000 0.904 123 L HN 0.337 nan 8.230 nan 0.000 0.435 124 L N -0.450 120.716 121.223 -0.095 0.000 2.046 124 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 124 L C 2.844 179.725 176.870 0.017 0.000 1.077 124 L CA 1.270 56.069 54.840 -0.069 0.000 0.747 124 L CB -0.492 41.393 42.059 -0.290 0.000 0.896 124 L HN 0.270 nan 8.230 nan 0.000 0.432 125 R N 0.672 121.152 120.500 -0.034 0.000 2.115 125 R HA -0.185 4.155 4.340 -0.000 0.000 0.230 125 R C 2.333 178.560 176.300 -0.123 0.000 1.111 125 R CA 1.321 57.406 56.100 -0.025 0.000 0.976 125 R CB -0.041 30.242 30.300 -0.028 0.000 0.870 125 R HN 0.230 nan 8.270 nan 0.000 0.445 126 K N -0.389 119.852 120.400 -0.264 0.000 2.097 126 K HA -0.158 4.162 4.320 -0.000 0.000 0.206 126 K C 1.100 177.548 176.600 -0.254 0.000 1.049 126 K CA 1.276 57.360 56.287 -0.338 0.000 0.933 126 K CB -0.071 32.127 32.500 -0.504 0.000 0.717 126 K HN 0.375 nan 8.250 nan 0.000 0.442 127 H N 0.921 119.920 119.070 -0.117 0.000 2.547 127 H HA 0.048 4.604 4.556 -0.000 0.000 0.274 127 H C -0.268 175.033 175.328 -0.045 0.000 1.024 127 H CA 0.633 56.641 56.048 -0.066 0.000 1.155 127 H CB 0.201 29.931 29.762 -0.054 0.000 1.344 127 H HN 0.364 nan 8.280 nan 0.000 0.598 128 E N -0.367 119.847 120.200 0.023 0.000 2.722 128 E HA -0.158 4.192 4.350 -0.000 0.000 0.265 128 E C -0.518 176.115 176.600 0.055 0.000 1.081 128 E CA 0.169 56.581 56.400 0.019 0.000 0.781 128 E CB -1.347 28.350 29.700 -0.006 0.000 1.372 128 E HN 0.082 nan 8.360 nan 0.000 0.423 129 V N 1.798 121.775 119.914 0.105 0.000 2.432 129 V HA 0.212 4.332 4.120 -0.000 0.000 0.271 129 V C 0.730 176.948 176.094 0.206 0.000 1.046 129 V CA 0.269 62.658 62.300 0.147 0.000 0.945 129 V CB 1.410 33.352 31.823 0.198 0.000 0.992 129 V HN 0.319 nan 8.190 nan 0.000 0.471 130 S N 5.142 120.869 115.700 0.044 0.000 2.608 130 S HA 0.446 4.916 4.470 -0.000 0.000 0.291 130 S C 0.967 175.250 174.600 -0.527 0.000 1.146 130 S CA -0.694 57.433 58.200 -0.122 0.000 1.043 130 S CB 1.685 64.825 63.200 -0.100 0.000 1.037 130 S HN 0.693 nan 8.310 nan 0.000 0.520 131 R N 0.026 119.922 120.500 -1.007 0.000 2.105 131 R HA -0.105 4.235 4.340 -0.000 0.000 0.239 131 R C 1.968 177.957 176.300 -0.518 0.000 1.135 131 R CA 1.544 56.852 56.100 -1.321 0.000 0.967 131 R CB -0.590 29.148 30.300 -0.936 0.000 0.861 131 R HN 0.734 nan 8.270 nan 0.000 0.442 132 L N 1.335 122.377 121.223 -0.301 0.000 2.083 132 L HA -0.159 4.180 4.340 -0.000 0.000 0.209 132 L C 1.357 178.176 176.870 -0.086 0.000 1.083 132 L CA 1.924 56.678 54.840 -0.142 0.000 0.752 132 L CB -0.459 41.545 42.059 -0.091 0.000 0.899 132 L HN 0.147 nan 8.230 nan 0.000 0.433 133 D N -0.699 119.644 120.400 -0.096 0.000 2.117 133 D HA -0.146 4.494 4.640 -0.000 0.000 0.197 133 D C 2.231 178.550 176.300 0.032 0.000 0.987 133 D CA 1.789 55.777 54.000 -0.020 0.000 0.829 133 D CB -0.068 40.721 40.800 -0.019 0.000 0.961 133 D HN 0.345 nan 8.370 nan 0.000 0.460 134 V N 0.613 120.519 119.914 -0.013 0.000 2.548 134 V HA -0.136 3.984 4.120 -0.000 0.000 0.249 134 V C 2.649 178.803 176.094 0.099 0.000 1.055 134 V CA 0.696 63.038 62.300 0.071 0.000 1.065 134 V CB -0.366 31.504 31.823 0.078 0.000 0.681 134 V HN 0.025 nan 8.190 nan 0.000 0.462 135 V N 0.777 120.698 119.914 0.012 0.000 2.358 135 V HA -0.195 3.925 4.120 -0.000 0.000 0.246 135 V C 2.356 178.490 176.094 0.067 0.000 1.047 135 V CA 1.988 64.298 62.300 0.016 0.000 1.035 135 V CB -0.800 31.014 31.823 -0.015 0.000 0.658 135 V HN 0.533 nan 8.190 nan 0.000 0.452 136 N N -0.389 118.372 118.700 0.101 0.000 2.309 136 N HA -0.126 4.614 4.740 -0.000 0.000 0.182 136 N C 1.577 177.205 175.510 0.196 0.000 1.018 136 N CA 1.251 54.406 53.050 0.174 0.000 0.876 136 N CB -0.360 38.201 38.487 0.123 0.000 0.972 136 N HN 0.569 nan 8.380 nan 0.000 0.434 137 F N 1.204 121.180 119.950 0.045 0.000 2.187 137 F HA 0.122 4.649 4.527 -0.000 0.000 0.295 137 F C 2.005 177.815 175.800 0.016 0.000 1.091 137 F CA 0.714 58.735 58.000 0.035 0.000 1.308 137 F CB -0.136 38.876 39.000 0.019 0.000 1.030 137 F HN -0.106 nan 8.300 nan 0.000 0.487 138 I N 0.091 120.668 120.570 0.013 0.000 2.226 138 I HA -0.294 3.876 4.170 -0.000 0.000 0.245 138 I C 2.583 178.581 176.117 -0.198 0.000 1.100 138 I CA 1.594 62.837 61.300 -0.096 0.000 1.374 138 I CB -0.604 37.401 38.000 0.008 0.000 1.057 138 I HN 0.304 nan 8.210 nan 0.000 0.413 139 S N -0.579 115.005 115.700 -0.193 0.000 2.377 139 S HA -0.090 4.379 4.470 -0.000 0.000 0.223 139 S C 1.538 175.826 174.600 -0.519 0.000 1.030 139 S CA 0.698 58.683 58.200 -0.359 0.000 0.970 139 S CB -0.326 62.615 63.200 -0.431 0.000 0.830 139 S HN 0.481 nan 8.310 nan 0.000 0.473 140 H N 1.107 120.100 119.070 -0.128 0.000 2.429 140 H HA 0.689 5.245 4.556 -0.000 0.000 0.303 140 H C 1.133 176.345 175.328 -0.193 0.000 1.201 140 H CA 0.358 56.333 56.048 -0.122 0.000 1.776 140 H CB -0.200 29.521 29.762 -0.069 0.000 1.505 140 H HN 0.590 nan 8.280 nan 0.000 0.631 170 E N 2.335 122.533 120.200 -0.003 0.000 2.325 170 E HA 0.622 4.972 4.350 -0.000 0.000 0.248 170 E C -1.201 175.444 176.600 0.075 0.000 0.912 170 E CA -0.539 55.879 56.400 0.030 0.000 0.782 170 E CB 0.843 30.551 29.700 0.013 0.000 1.264 170 E HN 0.646 nan 8.360 nan 0.000 0.417 171 N N 2.194 120.954 118.700 0.099 0.000 4.054 171 N HA -0.262 4.478 4.740 -0.000 0.000 0.317 171 N C -0.773 174.895 175.510 0.263 0.000 2.176 171 N CA 0.964 54.095 53.050 0.135 0.000 3.071 171 N CB -0.169 38.373 38.487 0.092 0.000 0.268 171 N HN 0.613 nan 8.380 nan 0.000 0.822 172 F N -0.422 119.554 119.950 0.043 0.000 1.836 172 F HA -0.018 4.509 4.527 -0.000 0.000 0.247 172 F C -0.869 174.963 175.800 0.054 0.000 1.284 172 F CA 0.675 58.703 58.000 0.047 0.000 1.181 172 F CB 0.157 39.187 39.000 0.049 0.000 2.127 172 F HN 0.417 nan 8.300 nan 0.000 0.101 173 T N 0.733 115.523 114.554 0.393 0.000 3.746 173 T HA 0.332 4.682 4.350 -0.000 0.000 0.254 173 T C -0.258 174.594 174.700 0.253 0.000 0.628 173 T CA 0.390 62.648 62.100 0.262 0.000 1.163 173 T CB 1.060 70.106 68.868 0.296 0.000 1.083 173 T HN 0.331 nan 8.240 nan 0.000 0.521 174 T N 0.729 115.403 114.554 0.199 0.000 3.538 174 T HA 0.192 4.542 4.350 -0.000 0.000 0.204 174 T C 1.024 175.821 174.700 0.161 0.000 0.870 174 T CA -0.314 61.908 62.100 0.204 0.000 1.727 174 T CB -0.133 68.862 68.868 0.211 0.000 1.685 174 T HN 0.414 nan 8.240 nan 0.000 0.454 175 N N 2.700 121.476 118.700 0.125 0.000 2.380 175 N HA 0.003 4.743 4.740 -0.000 0.000 0.292 175 N C 0.954 176.449 175.510 -0.026 0.000 1.302 175 N CA 0.015 53.053 53.050 -0.020 0.000 1.007 175 N CB -0.132 38.354 38.487 -0.002 0.000 1.408 175 N HN 0.355 nan 8.380 nan 0.000 0.487 176 L N 2.211 123.409 121.223 -0.041 0.000 2.201 176 L HA -0.129 4.211 4.340 -0.000 0.000 0.212 176 L C 1.958 178.813 176.870 -0.026 0.000 1.105 176 L CA 0.751 55.587 54.840 -0.008 0.000 0.775 176 L CB -0.295 41.763 42.059 -0.003 0.000 0.913 176 L HN 0.529 nan 8.230 nan 0.000 0.440 177 N N -0.224 118.423 118.700 -0.087 0.000 2.166 177 N HA -0.235 4.505 4.740 -0.000 0.000 0.186 177 N C 1.893 177.375 175.510 -0.045 0.000 1.019 177 N CA 1.076 54.079 53.050 -0.079 0.000 0.856 177 N CB -0.007 38.399 38.487 -0.135 0.000 0.993 177 N HN 0.466 nan 8.380 nan 0.000 0.426 178 Q N 1.196 120.971 119.800 -0.042 0.000 2.123 178 Q HA -0.039 4.301 4.340 -0.000 0.000 0.199 178 Q C 2.218 178.226 176.000 0.013 0.000 0.966 178 Q CA 0.624 56.420 55.803 -0.012 0.000 0.845 178 Q CB 0.086 28.823 28.738 -0.002 0.000 0.907 178 Q HN 0.382 nan 8.270 nan 0.000 0.439 179 L N 0.246 121.483 121.223 0.023 0.000 2.083 179 L HA -0.179 4.161 4.340 -0.000 0.000 0.209 179 L C 2.485 179.392 176.870 0.062 0.000 1.083 179 L CA 1.055 55.919 54.840 0.041 0.000 0.752 179 L CB -0.490 41.597 42.059 0.046 0.000 0.899 179 L HN 0.267 nan 8.230 nan 0.000 0.433 180 A N 0.001 122.868 122.820 0.079 0.000 1.930 180 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 180 A C 2.293 179.956 177.584 0.132 0.000 1.175 180 A CA 1.190 53.327 52.037 0.166 0.000 0.627 180 A CB -0.406 18.709 19.000 0.192 0.000 0.815 180 A HN 0.321 nan 8.150 nan 0.000 0.443 181 R N -0.663 119.865 120.500 0.046 0.000 2.159 181 R HA -0.071 4.269 4.340 -0.000 0.000 0.237 181 R C 1.547 177.868 176.300 0.035 0.000 1.131 181 R CA 1.429 57.538 56.100 0.015 0.000 0.982 181 R CB -0.389 29.904 30.300 -0.012 0.000 0.868 181 R HN 0.470 nan 8.270 nan 0.000 0.453 182 V N -1.956 117.985 119.914 0.045 0.000 3.324 182 V HA 0.300 4.420 4.120 -0.000 0.000 0.192 182 V C 1.202 177.331 176.094 0.057 0.000 1.223 182 V CA 0.820 63.145 62.300 0.042 0.000 1.400 182 V CB 0.211 32.052 31.823 0.030 0.000 1.277 182 V HN 0.393 nan 8.190 nan 0.000 0.486 183 G N -0.933 107.895 108.800 0.046 0.000 5.362 183 G HA2 0.325 4.285 3.960 -0.000 0.000 0.208 183 G HA3 0.325 4.285 3.960 -0.000 0.000 0.208 183 G C 0.566 175.475 174.900 0.015 0.000 1.166 183 G CA 0.297 45.418 45.100 0.036 0.000 0.659 183 G HN 0.761 nan 8.290 nan 0.000 0.249 184 G N 0.216 109.030 108.800 0.023 0.000 2.683 184 G HA2 0.286 4.246 3.960 -0.000 0.000 0.213 184 G HA3 0.286 4.246 3.960 -0.000 0.000 0.213 184 G C 0.607 175.513 174.900 0.009 0.000 1.142 184 G CA 0.262 45.371 45.100 0.015 0.000 0.793 184 G HN 0.451 nan 8.290 nan 0.000 0.534 185 I N 1.147 121.723 120.570 0.010 0.000 2.354 185 I HA 0.231 4.401 4.170 -0.000 0.000 0.292 185 I C -0.884 175.200 176.117 -0.054 0.000 0.989 185 I CA -0.924 60.371 61.300 -0.008 0.000 1.188 185 I CB 1.840 39.847 38.000 0.012 0.000 1.342 185 I HN -0.172 nan 8.210 nan 0.000 0.457 186 D N 7.917 128.281 120.400 -0.060 0.000 2.372 186 D HA 0.226 4.866 4.640 -0.000 0.000 0.243 186 D C -2.195 174.018 176.300 -0.146 0.000 1.121 186 D CA -0.892 53.056 54.000 -0.087 0.000 0.898 186 D CB 0.833 41.604 40.800 -0.049 0.000 1.202 186 D HN 0.179 nan 8.370 nan 0.000 0.428 187 P HA 0.087 nan 4.420 nan 0.000 0.267 187 P C -0.733 176.434 177.300 -0.222 0.000 1.200 187 P CA -0.385 62.525 63.100 -0.318 0.000 0.772 187 P CB 0.436 31.963 31.700 -0.288 0.000 0.855 188 L N 3.928 124.997 121.223 -0.257 0.000 2.265 188 L HA 0.406 4.746 4.340 -0.000 0.000 0.289 188 L C -0.814 175.982 176.870 -0.122 0.000 1.033 188 L CA -0.277 54.476 54.840 -0.146 0.000 0.814 188 L CB 0.219 42.212 42.059 -0.110 0.000 1.203 188 L HN 0.172 nan 8.230 nan 0.000 0.423 189 I N 5.833 126.356 120.570 -0.079 0.000 2.353 189 I HA 0.696 4.865 4.170 -0.000 0.000 0.293 189 I C 1.047 177.143 176.117 -0.036 0.000 0.992 189 I CA 0.676 61.944 61.300 -0.055 0.000 1.268 189 I CB 1.041 39.014 38.000 -0.045 0.000 1.387 189 I HN 0.858 nan 8.210 nan 0.000 0.478 190 G N 5.125 113.911 108.800 -0.024 0.000 2.552 190 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.265 190 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.265 190 G C 0.370 175.262 174.900 -0.013 0.000 1.234 190 G CA 0.062 45.153 45.100 -0.015 0.000 0.944 190 G HN 0.776 nan 8.290 nan 0.000 0.568 191 R N -0.639 119.854 120.500 -0.012 0.000 3.416 191 R HA -0.175 4.165 4.340 -0.000 0.000 0.263 191 R C 1.428 177.725 176.300 -0.006 0.000 1.053 191 R CA 1.064 57.157 56.100 -0.011 0.000 0.705 191 R CB -1.111 29.179 30.300 -0.016 0.000 1.124 191 R HN 0.673 nan 8.270 nan 0.000 0.444 192 E N 0.985 121.184 120.200 -0.001 0.000 2.072 192 E HA -0.159 4.191 4.350 -0.000 0.000 0.191 192 E C 1.511 178.111 176.600 0.000 0.000 0.985 192 E CA 1.162 57.565 56.400 0.004 0.000 0.801 192 E CB 0.030 29.733 29.700 0.005 0.000 0.750 192 E HN 0.481 nan 8.360 nan 0.000 0.452 193 K N 0.781 121.179 120.400 -0.004 0.000 2.063 193 K HA -0.175 4.145 4.320 -0.000 0.000 0.208 193 K C 2.149 178.744 176.600 -0.009 0.000 1.048 193 K CA 1.377 57.660 56.287 -0.006 0.000 0.928 193 K CB -0.074 32.421 32.500 -0.007 0.000 0.713 193 K HN -0.000 nan 8.250 nan 0.000 0.442 194 E N 0.954 121.147 120.200 -0.012 0.000 2.106 194 E HA -0.110 4.240 4.350 -0.000 0.000 0.192 194 E C 1.908 178.499 176.600 -0.015 0.000 0.984 194 E CA 0.810 57.199 56.400 -0.018 0.000 0.806 194 E CB -0.072 29.614 29.700 -0.023 0.000 0.750 194 E HN 0.182 nan 8.360 nan 0.000 0.458 195 L N 0.296 121.514 121.223 -0.009 0.000 2.093 195 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 195 L C 2.275 179.144 176.870 -0.001 0.000 1.085 195 L CA 1.061 55.899 54.840 -0.004 0.000 0.755 195 L CB -0.128 41.936 42.059 0.009 0.000 0.904 195 L HN 0.095 nan 8.230 nan 0.000 0.435 196 E N -0.004 120.196 120.200 0.000 0.000 2.077 196 E HA -0.252 4.098 4.350 -0.000 0.000 0.193 196 E C 2.165 178.763 176.600 -0.003 0.000 0.989 196 E CA 1.051 57.452 56.400 0.000 0.000 0.800 196 E CB 0.018 29.718 29.700 0.000 0.000 0.746 196 E HN 0.152 nan 8.360 nan 0.000 0.452 197 R N 0.107 120.603 120.500 -0.006 0.000 2.096 197 R HA -0.034 4.306 4.340 -0.000 0.000 0.235 197 R C 1.970 178.266 176.300 -0.006 0.000 1.127 197 R CA 1.593 57.688 56.100 -0.008 0.000 0.968 197 R CB -0.485 29.805 30.300 -0.015 0.000 0.861 197 R HN 0.173 nan 8.270 nan 0.000 0.440 198 A N 0.440 123.256 122.820 -0.007 0.000 1.898 198 A HA -0.055 4.265 4.320 -0.000 0.000 0.216 198 A C 2.231 179.816 177.584 0.003 0.000 1.181 198 A CA 1.466 53.502 52.037 -0.001 0.000 0.620 198 A CB -0.504 18.492 19.000 -0.007 0.000 0.819 198 A HN 0.374 nan 8.150 nan 0.000 0.442 199 I N -0.756 119.814 120.570 0.000 0.000 2.179 199 I HA -0.300 3.870 4.170 -0.000 0.000 0.242 199 I C 2.807 178.924 176.117 0.001 0.000 1.088 199 I CA 1.764 63.065 61.300 0.001 0.000 1.357 199 I CB -0.324 37.676 38.000 0.000 0.000 1.051 199 I HN 0.499 nan 8.210 nan 0.000 0.409 200 Q N 0.612 120.413 119.800 0.001 0.000 2.096 200 Q HA -0.201 4.139 4.340 -0.000 0.000 0.204 200 Q C 2.361 178.362 176.000 0.002 0.000 0.982 200 Q CA 1.947 57.750 55.803 0.001 0.000 0.850 200 Q CB 0.067 28.805 28.738 -0.000 0.000 0.901 200 Q HN 0.346 nan 8.270 nan 0.000 0.422 201 V N 0.929 120.845 119.914 0.004 0.000 2.295 201 V HA -0.291 3.829 4.120 -0.000 0.000 0.246 201 V C 2.297 178.395 176.094 0.006 0.000 1.049 201 V CA 1.683 63.987 62.300 0.007 0.000 1.024 201 V CB -0.484 31.347 31.823 0.014 0.000 0.648 201 V HN 0.409 nan 8.190 nan 0.000 0.447 202 L N -0.960 120.268 121.223 0.009 0.000 2.265 202 L HA -0.207 4.133 4.340 -0.000 0.000 0.215 202 L C 2.275 179.147 176.870 0.003 0.000 1.117 202 L CA 1.080 55.925 54.840 0.008 0.000 0.782 202 L CB -0.567 41.499 42.059 0.012 0.000 0.914 202 L HN 0.397 nan 8.230 nan 0.000 0.441 203 C N -0.865 118.436 119.300 0.002 0.000 2.562 203 C HA 0.063 4.523 4.460 -0.000 0.000 0.266 203 C C 1.649 176.638 174.990 -0.001 0.000 1.382 203 C CA -0.585 58.433 59.018 -0.000 0.000 1.742 203 C CB -1.064 26.676 27.740 -0.001 0.000 1.812 203 C HN 0.289 nan 8.230 nan 0.000 0.559 204 R N 0.769 121.268 120.500 -0.001 0.000 2.738 204 R HA 0.093 4.433 4.340 -0.000 0.000 0.268 204 R C 1.589 177.887 176.300 -0.004 0.000 1.062 204 R CA -0.149 55.950 56.100 -0.002 0.000 1.158 204 R CB 0.546 30.845 30.300 -0.001 0.000 1.046 204 R HN 0.374 nan 8.270 nan 0.000 0.493 205 R N 1.078 121.576 120.500 -0.003 0.000 2.073 205 R HA -0.018 4.322 4.340 -0.000 0.000 0.229 205 R C 0.254 176.550 176.300 -0.007 0.000 1.120 205 R CA 1.284 57.382 56.100 -0.004 0.000 0.967 205 R CB 0.359 30.658 30.300 -0.002 0.000 0.862 205 R HN 0.428 nan 8.270 nan 0.000 0.436 206 R N -0.356 120.140 120.500 -0.007 0.000 2.892 206 R HA 0.276 4.616 4.340 -0.000 0.000 0.265 206 R C -0.630 175.662 176.300 -0.013 0.000 1.025 206 R CA -0.829 55.264 56.100 -0.010 0.000 0.982 206 R CB 1.454 31.752 30.300 -0.004 0.000 1.185 206 R HN 0.008 nan 8.270 nan 0.000 0.484 207 K N 0.635 121.021 120.400 -0.023 0.000 3.257 207 K HA -0.258 4.062 4.320 -0.000 0.000 0.270 207 K C -0.186 176.395 176.600 -0.031 0.000 0.984 207 K CA 0.602 56.874 56.287 -0.025 0.000 0.739 207 K CB -1.369 31.137 32.500 0.009 0.000 1.351 207 K HN 0.646 nan 8.250 nan 0.000 0.463 208 N N 0.601 119.268 118.700 -0.055 0.000 2.398 208 N HA -0.022 4.717 4.740 -0.000 0.000 0.188 208 N C -0.510 174.971 175.510 -0.048 0.000 1.122 208 N CA -0.126 52.900 53.050 -0.041 0.000 0.866 208 N CB 0.278 38.741 38.487 -0.040 0.000 0.970 208 N HN 0.289 nan 8.380 nan 0.000 0.462 209 N N 1.741 120.380 118.700 -0.102 0.000 2.501 209 N HA 0.240 4.980 4.740 -0.000 0.000 0.245 209 N C -2.846 172.726 175.510 0.102 0.000 0.974 209 N CA -1.270 51.722 53.050 -0.097 0.000 0.941 209 N CB 1.635 39.830 38.487 -0.486 0.000 1.122 209 N HN -0.029 nan 8.380 nan 0.000 0.507 210 P HA 0.083 nan 4.420 nan 0.000 0.271 210 P C -0.425 177.021 177.300 0.244 0.000 1.216 210 P CA -0.383 62.807 63.100 0.150 0.000 0.771 210 P CB 0.678 32.432 31.700 0.090 0.000 0.864 211 L N 4.768 126.064 121.223 0.122 0.000 2.388 211 L HA 0.327 4.667 4.340 -0.000 0.000 0.267 211 L C -0.996 175.793 176.870 -0.134 0.000 0.995 211 L CA -0.355 54.466 54.840 -0.032 0.000 0.864 211 L CB 0.302 42.239 42.059 -0.204 0.000 1.216 211 L HN 0.189 nan 8.230 nan 0.000 0.430 212 L N 5.691 126.870 121.223 -0.073 0.000 2.433 212 L HA 0.364 4.704 4.340 -0.000 0.000 0.275 212 L C -0.437 176.322 176.870 -0.184 0.000 1.128 212 L CA -0.356 54.424 54.840 -0.100 0.000 0.875 212 L CB 0.687 42.742 42.059 -0.006 0.000 1.171 212 L HN 0.286 nan 8.230 nan 0.000 0.463 213 V N 3.121 122.852 119.914 -0.306 0.000 2.407 213 V HA 0.891 5.011 4.120 -0.000 0.000 0.291 213 V C 0.413 176.215 176.094 -0.485 0.000 1.018 213 V CA -0.331 61.698 62.300 -0.452 0.000 0.842 213 V CB 1.400 32.774 31.823 -0.749 0.000 0.996 213 V HN 0.963 nan 8.190 nan 0.000 0.426 214 G N 3.269 111.891 108.800 -0.298 0.000 2.523 214 G HA2 0.495 4.455 3.960 -0.000 0.000 0.291 214 G HA3 0.495 4.455 3.960 -0.000 0.000 0.291 214 G C -1.315 173.599 174.900 0.023 0.000 1.450 214 G CA -0.710 44.339 45.100 -0.085 0.000 0.790 214 G HN 0.412 nan 8.290 nan 0.000 0.496 215 E N 0.297 120.505 120.200 0.014 0.000 2.409 215 E HA 0.312 4.662 4.350 -0.000 0.000 0.257 215 E C 0.302 176.846 176.600 -0.093 0.000 1.150 215 E CA -0.115 56.198 56.400 -0.145 0.000 0.942 215 E CB 0.790 30.081 29.700 -0.683 0.000 0.979 215 E HN 0.274 nan 8.360 nan 0.000 0.447 216 S N -0.056 115.641 115.700 -0.006 0.000 2.533 216 S HA 0.350 4.820 4.470 -0.000 0.000 0.282 216 S C 1.113 175.778 174.600 0.107 0.000 1.304 216 S CA 0.497 58.741 58.200 0.073 0.000 1.063 216 S CB 0.605 63.871 63.200 0.110 0.000 0.881 216 S HN 0.738 nan 8.310 nan 0.000 0.493 217 G N 1.624 110.477 108.800 0.088 0.000 2.195 217 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.246 217 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.246 217 G C 0.734 175.677 174.900 0.072 0.000 0.984 217 G CA 0.138 45.295 45.100 0.094 0.000 0.633 217 G HN 0.601 nan 8.290 nan 0.000 0.525 218 V N 0.383 120.320 119.914 0.038 0.000 2.667 218 V HA 0.386 4.506 4.120 -0.000 0.000 0.252 218 V C 2.162 178.266 176.094 0.016 0.000 1.065 218 V CA 2.444 64.754 62.300 0.017 0.000 1.083 218 V CB -0.262 31.546 31.823 -0.025 0.000 0.692 218 V HN 2.106 nan 8.190 nan 0.000 0.468 219 G N -0.134 108.680 108.800 0.023 0.000 2.245 219 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.130 219 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.130 219 G C 0.513 175.420 174.900 0.012 0.000 1.040 219 G CA 0.260 45.370 45.100 0.016 0.000 0.713 219 G HN 0.397 nan 8.290 nan 0.000 0.488 220 K N -0.513 119.906 120.400 0.031 0.000 2.031 220 K HA -0.011 4.309 4.320 -0.000 0.000 0.205 220 K C 2.562 179.195 176.600 0.056 0.000 1.049 220 K CA 1.726 58.037 56.287 0.041 0.000 0.939 220 K CB -0.212 32.328 32.500 0.067 0.000 0.717 220 K HN 0.260 nan 8.250 nan 0.000 0.438 221 T N 1.300 115.921 114.554 0.112 0.000 2.746 221 T HA -0.146 4.204 4.350 -0.000 0.000 0.267 221 T C 1.995 176.679 174.700 -0.026 0.000 1.039 221 T CA 1.377 63.552 62.100 0.124 0.000 1.142 221 T CB -0.277 68.707 68.868 0.193 0.000 0.866 221 T HN 0.335 nan 8.240 nan 0.000 0.444 222 A N 0.942 123.758 122.820 -0.006 0.000 1.940 222 A HA -0.052 4.268 4.320 -0.000 0.000 0.219 222 A C 2.252 179.796 177.584 -0.068 0.000 1.176 222 A CA 1.256 53.274 52.037 -0.033 0.000 0.631 222 A CB -0.733 18.256 19.000 -0.018 0.000 0.814 222 A HN 0.550 nan 8.150 nan 0.000 0.446 223 I N -0.681 119.844 120.570 -0.076 0.000 2.286 223 I HA -0.208 3.962 4.170 -0.000 0.000 0.245 223 I C 2.943 178.972 176.117 -0.147 0.000 1.104 223 I CA 0.881 62.130 61.300 -0.085 0.000 1.397 223 I CB -0.284 37.678 38.000 -0.063 0.000 1.072 223 I HN 0.356 nan 8.210 nan 0.000 0.417 224 A N 0.465 123.113 122.820 -0.285 0.000 1.902 224 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 224 A C 2.203 179.582 177.584 -0.341 0.000 1.181 224 A CA 1.585 53.321 52.037 -0.502 0.000 0.623 224 A CB -0.508 17.698 19.000 -1.323 0.000 0.818 224 A HN 0.417 nan 8.150 nan 0.000 0.443 225 E N -0.829 119.222 120.200 -0.249 0.000 2.106 225 E HA -0.088 4.262 4.350 -0.000 0.000 0.192 225 E C 2.095 178.676 176.600 -0.031 0.000 0.984 225 E CA 0.695 57.030 56.400 -0.109 0.000 0.806 225 E CB -0.326 29.339 29.700 -0.059 0.000 0.750 225 E HN 0.609 nan 8.360 nan 0.000 0.458 226 G N 1.303 110.080 108.800 -0.038 0.000 2.471 226 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.219 226 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.219 226 G C 1.534 176.489 174.900 0.091 0.000 1.125 226 G CA 0.258 45.371 45.100 0.021 0.000 0.775 226 G HN 0.124 nan 8.290 nan 0.000 0.548 227 L N 1.204 122.437 121.223 0.016 0.000 2.072 227 L HA 0.303 4.643 4.340 -0.000 0.000 0.205 227 L C 2.936 179.826 176.870 0.032 0.000 1.079 227 L CA 1.937 56.788 54.840 0.018 0.000 0.752 227 L CB -0.695 41.340 42.059 -0.039 0.000 0.906 227 L HN 0.175 nan 8.230 nan 0.000 0.436 228 A N -1.236 121.594 122.820 0.016 0.000 1.972 228 A HA -0.272 4.048 4.320 -0.000 0.000 0.219 228 A C 2.140 179.760 177.584 0.059 0.000 1.169 228 A CA 1.652 53.694 52.037 0.008 0.000 0.635 228 A CB -1.420 17.573 19.000 -0.012 0.000 0.810 228 A HN 0.747 nan 8.150 nan 0.000 0.446 229 W N 0.562 121.826 121.300 -0.059 0.000 2.381 229 W HA -0.098 4.562 4.660 -0.000 0.000 0.301 229 W C 2.332 178.828 176.519 -0.039 0.000 1.205 229 W CA 1.676 58.993 57.345 -0.046 0.000 1.285 229 W CB -0.106 29.332 29.460 -0.037 0.000 1.133 229 W HN 0.207 nan 8.180 nan 0.000 0.521 230 R N -0.093 120.484 120.500 0.127 0.000 2.120 230 R HA -0.148 4.192 4.340 -0.000 0.000 0.234 230 R C 2.036 178.255 176.300 -0.134 0.000 1.123 230 R CA 1.763 57.849 56.100 -0.023 0.000 0.975 230 R CB -0.623 29.729 30.300 0.087 0.000 0.866 230 R HN 0.332 nan 8.270 nan 0.000 0.446 231 I N 0.006 120.515 120.570 -0.102 0.000 2.353 231 I HA -0.216 3.954 4.170 -0.000 0.000 0.248 231 I C 2.176 178.193 176.117 -0.167 0.000 1.119 231 I CA 0.926 62.160 61.300 -0.110 0.000 1.417 231 I CB -0.176 37.776 38.000 -0.080 0.000 1.078 231 I HN -0.048 nan 8.210 nan 0.000 0.421 232 V N 0.463 120.241 119.914 -0.228 0.000 2.358 232 V HA -0.239 3.881 4.120 -0.000 0.000 0.246 232 V C 2.356 178.238 176.094 -0.354 0.000 1.047 232 V CA 1.525 63.660 62.300 -0.275 0.000 1.035 232 V CB -0.619 31.019 31.823 -0.308 0.000 0.658 232 V HN 0.448 nan 8.190 nan 0.000 0.452 233 Q N -0.011 119.473 119.800 -0.526 0.000 2.436 233 Q HA 0.077 4.417 4.340 -0.000 0.000 0.209 233 Q C 1.851 177.680 176.000 -0.285 0.000 0.965 233 Q CA 0.972 56.466 55.803 -0.516 0.000 0.910 233 Q CB -0.334 27.917 28.738 -0.811 0.000 0.980 233 Q HN 0.813 nan 8.270 nan 0.000 0.491 234 G N 1.799 110.470 108.800 -0.215 0.000 2.147 234 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.244 234 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.244 234 G C 0.181 175.023 174.900 -0.096 0.000 1.005 234 G CA 0.426 45.447 45.100 -0.131 0.000 0.713 234 G HN 0.352 nan 8.290 nan 0.000 0.515 235 D N -0.155 120.181 120.400 -0.106 0.000 2.434 235 D HA 0.368 5.008 4.640 -0.000 0.000 0.232 235 D C 0.197 176.481 176.300 -0.026 0.000 1.166 235 D CA 0.199 54.172 54.000 -0.045 0.000 0.830 235 D CB 0.320 41.109 40.800 -0.018 0.000 0.960 235 D HN 0.375 nan 8.370 nan 0.000 0.497 236 V N 1.231 121.122 119.914 -0.038 0.000 2.567 236 V HA 0.357 4.477 4.120 -0.000 0.000 0.298 236 V C -2.310 173.768 176.094 -0.027 0.000 1.047 236 V CA -1.970 60.314 62.300 -0.026 0.000 0.880 236 V CB 1.976 33.782 31.823 -0.028 0.000 1.009 236 V HN 0.003 nan 8.190 nan 0.000 0.429 237 P HA -0.030 nan 4.420 nan 0.000 0.267 237 P C 1.009 178.298 177.300 -0.018 0.000 1.175 237 P CA 0.478 63.569 63.100 -0.016 0.000 0.763 237 P CB 0.494 32.188 31.700 -0.010 0.000 0.795 238 E N 0.884 121.073 120.200 -0.018 0.000 2.197 238 E HA -0.261 4.089 4.350 -0.000 0.000 0.205 238 E C 1.553 178.144 176.600 -0.015 0.000 1.029 238 E CA 1.939 58.329 56.400 -0.018 0.000 0.828 238 E CB -0.398 29.293 29.700 -0.015 0.000 0.737 238 E HN 0.464 nan 8.360 nan 0.000 0.464 239 V N -1.913 117.994 119.914 -0.012 0.000 2.759 239 V HA -0.128 3.992 4.120 -0.000 0.000 0.256 239 V C 1.817 177.906 176.094 -0.010 0.000 1.080 239 V CA 1.507 63.802 62.300 -0.009 0.000 1.101 239 V CB -0.316 31.503 31.823 -0.006 0.000 0.698 239 V HN 0.185 nan 8.190 nan 0.000 0.477 240 M N -0.019 119.573 119.600 -0.013 0.000 2.404 240 M HA 0.453 4.933 4.480 -0.000 0.000 0.271 240 M C 1.993 178.278 176.300 -0.025 0.000 1.128 240 M CA 0.547 55.838 55.300 -0.015 0.000 0.982 240 M CB 0.446 33.037 32.600 -0.015 0.000 1.445 240 M HN 0.425 nan 8.290 nan 0.000 0.495 241 A N 0.747 123.551 122.820 -0.027 0.000 1.902 241 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 241 A C 1.433 178.995 177.584 -0.037 0.000 1.181 241 A CA 1.661 53.676 52.037 -0.037 0.000 0.623 241 A CB -0.305 18.674 19.000 -0.035 0.000 0.818 241 A HN 0.371 nan 8.150 nan 0.000 0.443 242 D N -0.756 119.630 120.400 -0.024 0.000 2.349 242 D HA 0.087 4.727 4.640 -0.000 0.000 0.224 242 D C 0.203 176.494 176.300 -0.015 0.000 1.029 242 D CA 0.045 54.033 54.000 -0.018 0.000 0.879 242 D CB -0.640 40.156 40.800 -0.008 0.000 0.906 242 D HN 0.313 nan 8.370 nan 0.000 0.528 243 C N 0.946 120.234 119.300 -0.020 0.000 2.653 243 C HA 0.399 4.859 4.460 -0.000 0.000 0.421 243 C C 1.015 175.974 174.990 -0.052 0.000 1.334 243 C CA -0.434 58.573 59.018 -0.018 0.000 1.885 243 C CB -0.077 27.654 27.740 -0.014 0.000 2.645 243 C HN 0.203 nan 8.230 nan 0.000 0.601 244 T N 3.977 118.491 114.554 -0.067 0.000 2.848 244 T HA 0.591 4.941 4.350 -0.000 0.000 0.285 244 T C -0.798 173.729 174.700 -0.288 0.000 0.995 244 T CA -0.518 61.456 62.100 -0.210 0.000 0.970 244 T CB 0.332 69.028 68.868 -0.287 0.000 0.976 244 T HN 0.515 nan 8.240 nan 0.000 0.441 245 I N 5.390 125.789 120.570 -0.284 0.000 2.304 245 I HA 0.322 4.492 4.170 -0.000 0.000 0.291 245 I C -0.855 175.125 176.117 -0.229 0.000 1.018 245 I CA -0.866 60.340 61.300 -0.156 0.000 1.260 245 I CB 0.655 38.616 38.000 -0.064 0.000 1.390 245 I HN 0.650 nan 8.210 nan 0.000 0.475 246 Y N 4.188 124.540 120.300 0.087 0.000 2.331 246 Y HA 0.289 4.839 4.550 -0.000 0.000 0.338 246 Y C 0.646 176.630 175.900 0.140 0.000 0.992 246 Y CA -0.487 57.665 58.100 0.087 0.000 1.121 246 Y CB 1.774 40.257 38.460 0.037 0.000 1.184 246 Y HN 0.460 nan 8.280 nan 0.000 0.469 247 S N 4.559 120.434 115.700 0.292 0.000 2.480 247 S HA 0.468 4.938 4.470 -0.000 0.000 0.286 247 S C -0.667 174.000 174.600 0.112 0.000 1.180 247 S CA -0.662 57.699 58.200 0.267 0.000 1.075 247 S CB 0.276 63.693 63.200 0.362 0.000 0.996 247 S HN 0.688 nan 8.310 nan 0.000 0.487 248 L N 3.565 124.778 121.223 -0.016 0.000 2.395 248 L HA 0.375 4.715 4.340 -0.000 0.000 0.269 248 L C -0.320 176.380 176.870 -0.283 0.000 1.133 248 L CA -0.694 54.082 54.840 -0.106 0.000 0.812 248 L CB 0.663 42.671 42.059 -0.084 0.000 1.125 248 L HN 0.647 nan 8.230 nan 0.000 0.452 249 D N 5.516 125.682 120.400 -0.389 0.000 2.482 249 D HA 0.149 4.789 4.640 -0.000 0.000 0.244 249 D C 0.124 176.010 176.300 -0.690 0.000 1.242 249 D CA 0.318 53.760 54.000 -0.930 0.000 1.097 249 D CB -0.202 40.309 40.800 -0.481 0.000 1.109 249 D HN 0.147 nan 8.370 nan 0.000 0.510 250 I N 0.048 120.221 120.570 -0.663 0.000 3.540 250 I HA 0.777 4.947 4.170 -0.000 0.000 0.288 250 I C 1.219 177.235 176.117 -0.168 0.000 1.169 250 I CA -0.620 60.507 61.300 -0.288 0.000 1.038 250 I CB 1.119 39.001 38.000 -0.196 0.000 1.338 250 I HN 0.444 nan 8.210 nan 0.000 0.507 256 G N -0.485 108.301 108.800 -0.023 0.000 2.677 256 G HA2 0.512 4.472 3.960 -0.000 0.000 0.321 256 G HA3 0.512 4.472 3.960 -0.000 0.000 0.321 256 G C -0.677 174.182 174.900 -0.068 0.000 1.449 256 G CA 0.386 45.451 45.100 -0.059 0.000 1.064 256 G HN 1.450 nan 8.290 nan 0.000 0.627 257 T N 1.210 115.670 114.554 -0.157 0.000 2.809 257 T HA 0.745 5.095 4.350 -0.000 0.000 0.284 257 T C -0.482 174.081 174.700 -0.228 0.000 0.992 257 T CA -0.607 61.404 62.100 -0.148 0.000 0.957 257 T CB 1.222 70.001 68.868 -0.149 0.000 0.942 257 T HN 0.725 nan 8.240 nan 0.000 0.439 258 K N 5.105 125.484 120.400 -0.035 0.000 2.792 258 K HA 0.087 4.407 4.320 -0.000 0.000 0.264 258 K C -2.239 174.372 176.600 0.018 0.000 1.373 258 K CA -0.341 55.912 56.287 -0.056 0.000 0.940 258 K CB 0.341 32.761 32.500 -0.133 0.000 1.377 258 K HN 0.795 nan 8.250 nan 0.000 0.527 259 Y N 2.019 122.320 120.300 0.002 0.000 2.609 259 Y HA 0.365 4.914 4.550 -0.000 0.000 0.350 259 Y C -0.024 175.899 175.900 0.040 0.000 1.050 259 Y CA -0.283 57.828 58.100 0.018 0.000 1.290 259 Y CB 1.020 39.490 38.460 0.017 0.000 1.094 259 Y HN 0.545 nan 8.280 nan 0.000 0.583 260 R N 1.225 121.760 120.500 0.057 0.000 1.024 260 R HA -0.025 4.315 4.340 -0.000 0.000 0.429 260 R C 0.680 177.035 176.300 0.092 0.000 1.365 260 R CA 1.138 57.279 56.100 0.068 0.000 1.302 260 R CB -0.812 29.544 30.300 0.094 0.000 3.631 260 R HN 1.155 nan 8.270 nan 0.000 0.508 261 G N 1.486 110.327 108.800 0.070 0.000 2.938 261 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.234 261 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.234 261 G C -0.653 174.287 174.900 0.067 0.000 1.707 261 G CA 0.879 46.022 45.100 0.073 0.000 1.299 261 G HN 1.087 nan 8.290 nan 0.000 0.515 262 D N -2.341 118.116 120.400 0.095 0.000 3.102 262 D HA 0.149 4.789 4.640 -0.000 0.000 0.130 262 D C 0.106 176.483 176.300 0.129 0.000 0.974 262 D CA 0.067 54.124 54.000 0.095 0.000 1.775 262 D CB -0.853 39.980 40.800 0.055 0.000 1.204 262 D HN 0.435 nan 8.370 nan 0.000 0.835 263 F N 2.017 121.980 119.950 0.023 0.000 2.333 263 F HA -0.004 4.523 4.527 -0.000 0.000 0.300 263 F C 1.781 177.606 175.800 0.042 0.000 1.083 263 F CA 1.506 59.525 58.000 0.031 0.000 1.395 263 F CB 0.331 39.316 39.000 -0.026 0.000 1.056 263 F HN 0.402 nan 8.300 nan 0.000 0.529 264 E N -0.130 120.159 120.200 0.149 0.000 2.016 264 E HA -0.230 4.120 4.350 -0.000 0.000 0.190 264 E C 2.096 178.725 176.600 0.049 0.000 0.985 264 E CA 1.270 57.724 56.400 0.090 0.000 0.802 264 E CB -0.251 29.493 29.700 0.074 0.000 0.762 264 E HN 0.310 nan 8.360 nan 0.000 0.448 265 K N 1.067 121.487 120.400 0.033 0.000 2.103 265 K HA -0.060 4.260 4.320 -0.000 0.000 0.204 265 K C 2.248 178.843 176.600 -0.008 0.000 1.052 265 K CA 0.687 56.983 56.287 0.014 0.000 0.945 265 K CB 0.145 32.652 32.500 0.011 0.000 0.722 265 K HN -0.093 nan 8.250 nan 0.000 0.443 266 R N -0.644 119.842 120.500 -0.023 0.000 2.096 266 R HA -0.113 4.227 4.340 -0.000 0.000 0.235 266 R C 2.141 178.379 176.300 -0.105 0.000 1.127 266 R CA 1.556 57.619 56.100 -0.062 0.000 0.968 266 R CB -0.244 30.019 30.300 -0.062 0.000 0.861 266 R HN 0.209 nan 8.270 nan 0.000 0.440 267 F N 1.395 121.169 119.950 -0.292 0.000 2.259 267 F HA -0.106 4.421 4.527 -0.000 0.000 0.298 267 F C 2.416 178.111 175.800 -0.174 0.000 1.088 267 F CA 1.316 59.125 58.000 -0.319 0.000 1.358 267 F CB 0.075 38.781 39.000 -0.491 0.000 1.040 267 F HN -0.159 nan 8.300 nan 0.000 0.505 268 K N 0.142 120.576 120.400 0.056 0.000 2.097 268 K HA -0.119 4.201 4.320 -0.000 0.000 0.205 268 K C 2.115 178.685 176.600 -0.049 0.000 1.050 268 K CA 1.176 57.477 56.287 0.023 0.000 0.938 268 K CB -0.266 32.252 32.500 0.031 0.000 0.718 268 K HN 0.248 nan 8.250 nan 0.000 0.442 269 A N 1.320 124.098 122.820 -0.070 0.000 2.014 269 A HA -0.065 4.255 4.320 -0.000 0.000 0.218 269 A C 2.030 179.532 177.584 -0.136 0.000 1.163 269 A CA 0.745 52.731 52.037 -0.085 0.000 0.652 269 A CB -0.392 18.567 19.000 -0.069 0.000 0.808 269 A HN 0.404 nan 8.150 nan 0.000 0.449 270 L N -0.590 120.508 121.223 -0.209 0.000 2.044 270 L HA -0.066 4.274 4.340 -0.000 0.000 0.205 270 L C 2.346 179.045 176.870 -0.286 0.000 1.075 270 L CA 1.158 55.823 54.840 -0.292 0.000 0.747 270 L CB -0.224 41.556 42.059 -0.464 0.000 0.903 270 L HN 0.388 nan 8.230 nan 0.000 0.435 271 L N -0.228 120.826 121.223 -0.281 0.000 2.141 271 L HA -0.238 4.102 4.340 -0.000 0.000 0.209 271 L C 2.526 179.325 176.870 -0.118 0.000 1.094 271 L CA 1.137 55.863 54.840 -0.191 0.000 0.763 271 L CB -0.428 41.565 42.059 -0.110 0.000 0.908 271 L HN 0.284 nan 8.230 nan 0.000 0.437 272 K N 0.071 120.411 120.400 -0.101 0.000 2.217 272 K HA -0.196 4.123 4.320 -0.000 0.000 0.202 272 K C 2.107 178.656 176.600 -0.085 0.000 1.051 272 K CA 0.929 57.173 56.287 -0.072 0.000 0.952 272 K CB 0.165 32.633 32.500 -0.054 0.000 0.736 272 K HN 0.215 nan 8.250 nan 0.000 0.453 273 Q N 0.100 119.830 119.800 -0.117 0.000 2.311 273 Q HA 0.019 4.359 4.340 -0.000 0.000 0.203 273 Q C 1.662 177.570 176.000 -0.154 0.000 0.954 273 Q CA 0.573 56.299 55.803 -0.127 0.000 0.885 273 Q CB 0.297 28.947 28.738 -0.147 0.000 0.963 273 Q HN 0.309 nan 8.270 nan 0.000 0.471 274 L N -0.525 120.597 121.223 -0.168 0.000 2.202 274 L HA 0.040 4.380 4.340 -0.000 0.000 0.205 274 L C 1.923 178.743 176.870 -0.085 0.000 1.083 274 L CA 0.671 55.411 54.840 -0.166 0.000 0.790 274 L CB -0.026 41.925 42.059 -0.179 0.000 0.942 274 L HN 0.176 nan 8.230 nan 0.000 0.452 275 E N 0.351 120.509 120.200 -0.070 0.000 2.511 275 E HA -0.156 4.194 4.350 -0.000 0.000 0.196 275 E C 0.732 177.312 176.600 -0.033 0.000 1.066 275 E CA -0.137 56.239 56.400 -0.039 0.000 0.871 275 E CB 0.299 29.980 29.700 -0.033 0.000 0.863 275 E HN 0.172 nan 8.360 nan 0.000 0.520 276 Q N 1.673 121.447 119.800 -0.044 0.000 3.025 276 Q HA -0.048 4.292 4.340 -0.000 0.000 0.251 276 Q C -1.058 174.930 176.000 -0.020 0.000 1.348 276 Q CA 0.214 55.996 55.803 -0.035 0.000 0.906 276 Q CB -0.600 28.111 28.738 -0.045 0.000 1.764 276 Q HN 0.071 nan 8.270 nan 0.000 0.535 277 D N 1.606 121.998 120.400 -0.013 0.000 2.886 277 D HA -0.191 4.449 4.640 -0.000 0.000 0.221 277 D C -1.034 175.267 176.300 0.002 0.000 1.227 277 D CA 1.474 55.471 54.000 -0.005 0.000 0.746 277 D CB -0.726 40.071 40.800 -0.005 0.000 0.935 277 D HN 0.451 nan 8.370 nan 0.000 0.399 278 T N -0.103 114.455 114.554 0.008 0.000 2.843 278 T HA 0.345 4.695 4.350 -0.000 0.000 0.302 278 T C 0.217 174.935 174.700 0.030 0.000 1.232 278 T CA -0.916 61.198 62.100 0.023 0.000 1.009 278 T CB 1.452 70.343 68.868 0.038 0.000 1.254 278 T HN -0.022 nan 8.240 nan 0.000 0.504 279 N N 1.764 120.487 118.700 0.038 0.000 3.322 279 N HA 0.296 5.036 4.740 -0.000 0.000 0.290 279 N C -0.721 174.827 175.510 0.065 0.000 1.297 279 N CA -0.103 52.969 53.050 0.037 0.000 1.167 279 N CB 0.077 38.577 38.487 0.022 0.000 1.434 279 N HN 0.572 nan 8.380 nan 0.000 0.526 280 S N 1.517 117.272 115.700 0.092 0.000 2.462 280 S HA 0.547 5.017 4.470 -0.000 0.000 0.294 280 S C -0.196 174.492 174.600 0.147 0.000 1.144 280 S CA -0.710 57.593 58.200 0.171 0.000 1.088 280 S CB 0.373 63.701 63.200 0.213 0.000 1.009 280 S HN 0.283 nan 8.310 nan 0.000 0.484 281 I N 4.648 125.319 120.570 0.168 0.000 2.354 281 I HA 0.377 4.547 4.170 -0.000 0.000 0.292 281 I C -0.719 175.527 176.117 0.215 0.000 0.989 281 I CA -0.880 60.507 61.300 0.145 0.000 1.188 281 I CB 1.659 39.716 38.000 0.094 0.000 1.342 281 I HN 0.481 nan 8.210 nan 0.000 0.457 282 L N 7.853 129.192 121.223 0.192 0.000 2.262 282 L HA 0.427 4.767 4.340 -0.000 0.000 0.288 282 L C -0.884 176.140 176.870 0.255 0.000 1.035 282 L CA -0.118 54.846 54.840 0.207 0.000 0.820 282 L CB 0.596 42.723 42.059 0.114 0.000 1.204 282 L HN 0.374 nan 8.230 nan 0.000 0.424 283 F N 7.386 127.405 119.950 0.113 0.000 2.424 283 F HA 0.498 5.025 4.527 -0.000 0.000 0.356 283 F C -0.013 175.844 175.800 0.095 0.000 1.110 283 F CA -1.351 56.709 58.000 0.100 0.000 1.161 283 F CB 0.619 39.666 39.000 0.079 0.000 1.115 283 F HN 0.444 nan 8.300 nan 0.000 0.507 284 I N 3.586 123.901 120.570 -0.424 0.000 2.464 284 I HA 0.393 4.563 4.170 -0.000 0.000 0.277 284 I C -0.764 174.927 176.117 -0.710 0.000 1.040 284 I CA -0.818 60.200 61.300 -0.469 0.000 1.153 284 I CB 0.887 38.843 38.000 -0.073 0.000 1.274 284 I HN 0.330 nan 8.210 nan 0.000 0.469 285 D N 4.840 124.654 120.400 -0.977 0.000 2.399 285 D HA 0.071 4.711 4.640 -0.000 0.000 0.241 285 D C 0.250 176.380 176.300 -0.282 0.000 1.133 285 D CA 0.981 54.623 54.000 -0.597 0.000 0.890 285 D CB 0.773 41.376 40.800 -0.329 0.000 1.201 285 D HN 0.646 nan 8.370 nan 0.000 0.432 286 E N 1.018 121.128 120.200 -0.150 0.000 2.210 286 E HA -0.237 4.113 4.350 -0.000 0.000 0.201 286 E C 0.908 177.271 176.600 -0.394 0.000 1.339 286 E CA 0.164 56.422 56.400 -0.238 0.000 0.699 286 E CB -1.473 28.069 29.700 -0.263 0.000 1.126 286 E HN 0.540 nan 8.360 nan 0.000 0.355 287 I N 0.461 120.935 120.570 -0.160 0.000 2.657 287 I HA -0.295 3.875 4.170 -0.000 0.000 0.261 287 I C 1.959 178.087 176.117 0.017 0.000 1.212 287 I CA 1.839 63.109 61.300 -0.049 0.000 1.453 287 I CB 0.003 38.025 38.000 0.036 0.000 1.092 287 I HN 0.555 nan 8.210 nan 0.000 0.452 288 H N -1.731 117.405 119.070 0.111 0.000 2.561 288 H HA -0.018 4.538 4.556 -0.000 0.000 0.278 288 H C 1.758 177.099 175.328 0.022 0.000 1.014 288 H CA 1.171 57.287 56.048 0.114 0.000 1.211 288 H CB -0.891 28.939 29.762 0.113 0.000 1.365 288 H HN 0.131 nan 8.280 nan 0.000 0.594 289 T N 0.965 115.322 114.554 -0.329 0.000 2.735 289 T HA 0.019 4.369 4.350 -0.000 0.000 0.256 289 T C 2.033 176.647 174.700 -0.143 0.000 1.042 289 T CA 1.445 63.422 62.100 -0.204 0.000 1.147 289 T CB -0.124 68.596 68.868 -0.247 0.000 0.865 289 T HN 0.326 nan 8.240 nan 0.000 0.421 290 I N 1.556 122.042 120.570 -0.140 0.000 2.179 290 I HA 0.030 4.200 4.170 -0.000 0.000 0.242 290 I C 1.297 177.308 176.117 -0.175 0.000 1.088 290 I CA 0.935 62.132 61.300 -0.170 0.000 1.357 290 I CB -0.366 37.591 38.000 -0.073 0.000 1.051 290 I HN 0.319 nan 8.210 nan 0.000 0.409 291 I N -2.399 118.089 120.570 -0.137 0.000 3.023 291 I HA 0.712 4.882 4.170 -0.000 0.000 0.312 291 I C 0.927 176.920 176.117 -0.206 0.000 1.056 291 I CA -0.173 61.012 61.300 -0.191 0.000 1.033 291 I CB 1.916 39.771 38.000 -0.243 0.000 1.233 291 I HN 0.310 nan 8.210 nan 0.000 0.462 292 G N 2.140 110.787 108.800 -0.256 0.000 2.579 292 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.222 292 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.222 292 G C 0.783 175.621 174.900 -0.104 0.000 1.201 292 G CA 0.852 45.821 45.100 -0.218 0.000 0.710 292 G HN 1.323 nan 8.290 nan 0.000 0.516 293 A N 0.366 123.147 122.820 -0.064 0.000 2.260 293 A HA 0.658 4.978 4.320 -0.000 0.000 0.208 293 A C 1.512 179.063 177.584 -0.054 0.000 1.588 293 A CA 1.981 53.997 52.037 -0.036 0.000 0.600 293 A CB -0.490 18.506 19.000 -0.007 0.000 1.142 293 A HN 2.339 nan 8.150 nan 0.000 0.494 294 G N -2.528 106.234 108.800 -0.062 0.000 2.761 294 G HA2 0.643 4.603 3.960 -0.000 0.000 0.296 294 G HA3 0.643 4.603 3.960 -0.000 0.000 0.296 294 G C -0.375 174.472 174.900 -0.088 0.000 1.416 294 G CA 0.296 45.356 45.100 -0.067 0.000 1.105 294 G HN 0.946 nan 8.290 nan 0.000 0.565 295 A N 1.368 124.125 122.820 -0.105 0.000 3.337 295 A HA 0.997 5.317 4.320 -0.000 0.000 0.173 295 A C 1.244 178.763 177.584 -0.107 0.000 1.986 295 A CA 0.577 52.532 52.037 -0.136 0.000 0.954 295 A CB 0.456 19.361 19.000 -0.159 0.000 1.899 295 A HN 2.315 nan 8.150 nan 0.000 0.732 296 A N -2.627 120.127 122.820 -0.111 0.000 2.509 296 A HA 0.345 4.665 4.320 -0.000 0.000 0.157 296 A C 1.121 178.657 177.584 -0.080 0.000 1.886 296 A CA 1.091 53.075 52.037 -0.088 0.000 1.223 296 A CB -1.196 17.747 19.000 -0.096 0.000 1.330 296 A HN 1.496 nan 8.150 nan 0.000 0.381 297 S N -0.624 115.022 115.700 -0.089 0.000 2.666 297 S HA 0.649 5.119 4.470 -0.000 0.000 0.230 297 S C 1.000 175.579 174.600 -0.036 0.000 1.146 297 S CA 0.262 58.431 58.200 -0.052 0.000 1.162 297 S CB 0.510 63.689 63.200 -0.034 0.000 1.085 297 S HN 1.499 nan 8.310 nan 0.000 0.514 298 G N -1.390 107.405 108.800 -0.008 0.000 5.253 298 G HA2 0.555 4.515 3.960 -0.000 0.000 0.238 298 G HA3 0.555 4.515 3.960 -0.000 0.000 0.238 298 G C 0.189 175.099 174.900 0.015 0.000 0.867 298 G CA 0.164 45.262 45.100 -0.004 0.000 0.717 298 G HN 0.970 nan 8.290 nan 0.000 0.405 299 G N -1.058 107.762 108.800 0.032 0.000 2.449 299 G HA2 0.503 4.463 3.960 -0.000 0.000 0.192 299 G HA3 0.503 4.463 3.960 -0.000 0.000 0.192 299 G C 1.187 176.088 174.900 0.002 0.000 1.776 299 G CA 1.817 46.948 45.100 0.052 0.000 0.699 299 G HN 1.135 nan 8.290 nan 0.000 0.745 300 Q N -0.873 118.947 119.800 0.034 0.000 2.687 300 Q HA -0.414 3.926 4.340 -0.000 0.000 0.467 300 Q C 2.492 178.419 176.000 -0.123 0.000 0.501 300 Q CA 4.458 60.203 55.803 -0.097 0.000 1.020 300 Q CB -1.976 26.620 28.738 -0.236 0.000 1.707 300 Q HN 1.076 nan 8.270 nan 0.000 1.103 301 V N 1.366 121.217 119.914 -0.103 0.000 2.307 301 V HA -0.202 3.918 4.120 -0.000 0.000 0.245 301 V C 2.126 178.200 176.094 -0.033 0.000 1.045 301 V CA 2.340 64.595 62.300 -0.076 0.000 1.024 301 V CB -0.825 30.940 31.823 -0.096 0.000 0.651 301 V HN 0.840 nan 8.190 nan 0.000 0.449 302 D N 0.818 121.200 120.400 -0.030 0.000 2.219 302 D HA -0.056 4.584 4.640 -0.000 0.000 0.205 302 D C 2.150 178.459 176.300 0.015 0.000 0.970 302 D CA 1.456 55.452 54.000 -0.007 0.000 0.851 302 D CB -0.296 40.499 40.800 -0.009 0.000 0.943 302 D HN 0.468 nan 8.370 nan 0.000 0.488 303 A N 1.057 123.885 122.820 0.013 0.000 1.897 303 A HA 0.095 4.415 4.320 -0.000 0.000 0.215 303 A C 2.301 179.949 177.584 0.107 0.000 1.181 303 A CA 1.802 53.873 52.037 0.057 0.000 0.620 303 A CB -0.548 18.482 19.000 0.049 0.000 0.821 303 A HN 0.239 nan 8.150 nan 0.000 0.443 304 A N -0.195 122.687 122.820 0.103 0.000 1.930 304 A HA -0.100 4.220 4.320 -0.000 0.000 0.215 304 A C 1.919 179.564 177.584 0.102 0.000 1.176 304 A CA 1.323 53.454 52.037 0.157 0.000 0.632 304 A CB -0.552 18.562 19.000 0.191 0.000 0.819 304 A HN 0.497 nan 8.150 nan 0.000 0.445 305 N N 0.330 119.073 118.700 0.071 0.000 2.137 305 N HA -0.150 4.590 4.740 -0.000 0.000 0.190 305 N C 1.659 177.193 175.510 0.039 0.000 1.017 305 N CA 1.472 54.554 53.050 0.052 0.000 0.859 305 N CB -0.415 38.093 38.487 0.035 0.000 1.002 305 N HN 0.521 nan 8.380 nan 0.000 0.428 306 L N 0.751 121.997 121.223 0.040 0.000 2.017 306 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 306 L C 2.091 178.977 176.870 0.027 0.000 1.073 306 L CA 0.763 55.621 54.840 0.030 0.000 0.745 306 L CB -0.336 41.741 42.059 0.031 0.000 0.894 306 L HN 0.127 nan 8.230 nan 0.000 0.432 307 I N -0.168 120.425 120.570 0.038 0.000 2.394 307 I HA -0.215 3.955 4.170 -0.000 0.000 0.251 307 I C 2.378 178.503 176.117 0.014 0.000 1.136 307 I CA 1.280 62.598 61.300 0.029 0.000 1.425 307 I CB -1.174 36.851 38.000 0.043 0.000 1.079 307 I HN 0.346 nan 8.210 nan 0.000 0.425 308 K N 0.990 121.396 120.400 0.010 0.000 1.978 308 K HA -0.143 4.177 4.320 -0.000 0.000 0.214 308 K C -0.202 176.385 176.600 -0.021 0.000 1.049 308 K CA 1.471 57.746 56.287 -0.020 0.000 0.939 308 K CB -1.757 30.712 32.500 -0.051 0.000 0.721 308 K HN 0.345 nan 8.250 nan 0.000 0.441 309 P HA 0.004 nan 4.420 nan 0.000 0.200 309 P C -0.114 177.183 177.300 -0.005 0.000 1.186 309 P CA 0.603 63.698 63.100 -0.009 0.000 0.896 309 P CB 0.385 32.084 31.700 -0.003 0.000 0.729 310 L N -1.798 119.424 121.223 -0.000 0.000 2.751 310 L HA 0.392 4.732 4.340 -0.000 0.000 0.261 310 L C -1.200 175.672 176.870 0.003 0.000 0.927 310 L CA -0.276 54.565 54.840 0.001 0.000 0.968 310 L CB 1.174 43.232 42.059 -0.001 0.000 1.432 310 L HN -0.121 nan 8.230 nan 0.000 0.439 311 L N 3.909 125.134 121.223 0.004 0.000 3.584 311 L HA 0.324 4.664 4.340 -0.000 0.000 0.354 311 L C 0.020 176.893 176.870 0.004 0.000 1.345 311 L CA 0.474 55.317 54.840 0.005 0.000 0.970 311 L CB 1.141 43.206 42.059 0.009 0.000 1.374 311 L HN 0.679 nan 8.230 nan 0.000 0.612 312 S N -0.990 114.711 115.700 0.002 0.000 4.659 312 S HA 0.291 4.761 4.470 -0.000 0.000 0.164 312 S C 0.253 174.851 174.600 -0.003 0.000 1.222 312 S CA 0.621 58.820 58.200 -0.001 0.000 1.108 312 S CB 0.635 63.834 63.200 -0.002 0.000 2.063 312 S HN 0.134 nan 8.310 nan 0.000 0.747 313 S N 0.388 116.086 115.700 -0.004 0.000 3.029 313 S HA 0.621 5.091 4.470 -0.000 0.000 0.244 313 S C 0.083 174.680 174.600 -0.006 0.000 0.814 313 S CA 0.306 58.503 58.200 -0.005 0.000 1.148 313 S CB 0.295 63.491 63.200 -0.006 0.000 1.253 313 S HN 1.211 nan 8.310 nan 0.000 0.555 314 G N 0.721 109.518 108.800 -0.005 0.000 2.561 314 G HA2 0.639 4.599 3.960 -0.000 0.000 0.310 314 G HA3 0.639 4.599 3.960 -0.000 0.000 0.310 314 G C -2.240 172.658 174.900 -0.004 0.000 1.292 314 G CA -0.792 44.305 45.100 -0.005 0.000 0.811 314 G HN 0.400 nan 8.290 nan 0.000 0.482 315 K N -0.311 120.087 120.400 -0.003 0.000 2.561 315 K HA 0.545 4.865 4.320 -0.000 0.000 0.254 315 K C -1.008 175.592 176.600 -0.000 0.000 0.942 315 K CA -0.819 55.467 56.287 -0.003 0.000 0.818 315 K CB 1.802 34.299 32.500 -0.005 0.000 1.306 315 K HN 0.823 nan 8.250 nan 0.000 0.435 316 I N -0.323 120.247 120.570 0.001 0.000 2.750 316 I HA 0.641 4.811 4.170 -0.000 0.000 0.308 316 I C -0.956 175.165 176.117 0.007 0.000 1.016 316 I CA -1.107 60.199 61.300 0.010 0.000 1.098 316 I CB 2.055 40.062 38.000 0.011 0.000 1.279 316 I HN 0.512 nan 8.210 nan 0.000 0.454 317 R N 2.890 123.404 120.500 0.024 0.000 2.637 317 R HA 0.785 5.125 4.340 -0.000 0.000 0.291 317 R C -1.501 174.836 176.300 0.061 0.000 0.963 317 R CA -0.889 55.222 56.100 0.019 0.000 0.901 317 R CB 2.578 32.892 30.300 0.023 0.000 1.160 317 R HN 0.542 nan 8.270 nan 0.000 0.457 318 V N 4.651 124.601 119.914 0.060 0.000 2.588 318 V HA 0.439 4.559 4.120 -0.000 0.000 0.304 318 V C -0.309 175.937 176.094 0.253 0.000 1.042 318 V CA -0.701 61.698 62.300 0.165 0.000 0.877 318 V CB 2.069 34.017 31.823 0.207 0.000 0.996 318 V HN 0.617 nan 8.190 nan 0.000 0.425 319 I N 4.058 124.817 120.570 0.316 0.000 2.321 319 I HA 0.598 4.768 4.170 -0.000 0.000 0.291 319 I C 0.858 177.232 176.117 0.429 0.000 0.998 319 I CA 0.017 61.541 61.300 0.373 0.000 1.227 319 I CB 1.513 39.731 38.000 0.363 0.000 1.368 319 I HN 0.722 nan 8.210 nan 0.000 0.466 320 G N 3.322 112.322 108.800 0.333 0.000 2.509 320 G HA2 0.597 4.557 3.960 -0.000 0.000 0.328 320 G HA3 0.597 4.557 3.960 -0.000 0.000 0.328 320 G C -1.183 173.778 174.900 0.101 0.000 1.194 320 G CA -0.418 44.760 45.100 0.129 0.000 0.967 320 G HN 0.479 nan 8.290 nan 0.000 0.488 321 S N -1.110 114.601 115.700 0.018 0.000 2.572 321 S HA 0.752 5.222 4.470 -0.000 0.000 0.274 321 S C -0.705 173.915 174.600 0.032 0.000 1.150 321 S CA -0.331 57.902 58.200 0.055 0.000 0.944 321 S CB 1.925 65.231 63.200 0.176 0.000 1.071 321 S HN 1.008 nan 8.310 nan 0.000 0.479 322 T N 1.703 116.262 114.554 0.008 0.000 2.739 322 T HA 0.663 5.013 4.350 -0.000 0.000 0.303 322 T C -0.666 174.027 174.700 -0.010 0.000 1.389 322 T CA -0.118 62.031 62.100 0.081 0.000 1.001 322 T CB 1.198 70.100 68.868 0.057 0.000 1.436 322 T HN 0.887 nan 8.240 nan 0.000 0.500 323 T N 0.297 114.843 114.554 -0.013 0.000 2.881 323 T HA 0.442 4.792 4.350 -0.000 0.000 0.278 323 T C 0.853 175.572 174.700 0.030 0.000 0.982 323 T CA -0.428 61.669 62.100 -0.006 0.000 0.989 323 T CB 0.532 69.399 68.868 -0.002 0.000 1.058 323 T HN 0.579 nan 8.240 nan 0.000 0.529 324 Y N 0.513 120.809 120.300 -0.006 0.000 2.165 324 Y HA -0.163 4.387 4.550 -0.000 0.000 0.286 324 Y C 3.102 179.068 175.900 0.111 0.000 1.155 324 Y CA 1.827 59.956 58.100 0.048 0.000 1.164 324 Y CB -0.305 38.160 38.460 0.008 0.000 0.978 324 Y HN 0.688 nan 8.280 nan 0.000 0.513 325 Q N -0.560 119.370 119.800 0.217 0.000 2.187 325 Q HA -0.147 4.193 4.340 -0.000 0.000 0.199 325 Q C 1.858 177.906 176.000 0.080 0.000 0.957 325 Q CA 1.177 57.057 55.803 0.128 0.000 0.857 325 Q CB 0.009 28.791 28.738 0.075 0.000 0.929 325 Q HN 0.547 nan 8.270 nan 0.000 0.453 326 E N -0.313 119.918 120.200 0.052 0.000 2.358 326 E HA -0.120 4.230 4.350 -0.000 0.000 0.195 326 E C 1.353 178.029 176.600 0.126 0.000 1.010 326 E CA 0.314 56.732 56.400 0.030 0.000 0.856 326 E CB 0.095 29.726 29.700 -0.115 0.000 0.795 326 E HN 0.290 nan 8.360 nan 0.000 0.504 327 F N 0.941 120.884 119.950 -0.011 0.000 2.179 327 F HA -0.044 4.483 4.527 -0.000 0.000 0.292 327 F C 2.188 178.013 175.800 0.042 0.000 1.089 327 F CA 1.070 59.041 58.000 -0.047 0.000 1.295 327 F CB -0.217 38.673 39.000 -0.183 0.000 1.041 327 F HN -0.186 nan 8.300 nan 0.000 0.487 328 S N 1.256 116.828 115.700 -0.213 0.000 2.348 328 S HA -0.161 4.309 4.470 -0.000 0.000 0.221 328 S C 1.635 176.114 174.600 -0.200 0.000 1.033 328 S CA 1.498 59.527 58.200 -0.285 0.000 1.010 328 S CB -0.474 62.738 63.200 0.020 0.000 0.891 328 S HN 0.446 nan 8.310 nan 0.000 0.442 329 N N 1.804 120.457 118.700 -0.078 0.000 2.220 329 N HA 0.067 4.807 4.740 -0.000 0.000 0.193 329 N C 1.953 177.437 175.510 -0.042 0.000 1.052 329 N CA 1.330 54.351 53.050 -0.047 0.000 0.898 329 N CB -0.894 37.586 38.487 -0.012 0.000 1.080 329 N HN 0.501 nan 8.380 nan 0.000 0.467 330 I N -2.164 118.401 120.570 -0.008 0.000 2.567 330 I HA -0.062 4.107 4.170 -0.000 0.000 0.257 330 I C 1.751 177.850 176.117 -0.030 0.000 1.184 330 I CA 1.291 62.583 61.300 -0.013 0.000 1.451 330 I CB -0.185 37.818 38.000 0.006 0.000 1.089 330 I HN -0.051 nan 8.210 nan 0.000 0.441 331 F N 1.368 121.242 119.950 -0.127 0.000 2.298 331 F HA 0.082 4.609 4.527 -0.000 0.000 0.282 331 F C 2.589 178.276 175.800 -0.189 0.000 1.045 331 F CA 1.060 58.978 58.000 -0.137 0.000 1.280 331 F CB 0.125 39.050 39.000 -0.124 0.000 1.114 331 F HN -0.031 nan 8.300 nan 0.000 0.546 332 E N 0.036 120.183 120.200 -0.087 0.000 2.158 332 E HA -0.157 4.193 4.350 -0.000 0.000 0.191 332 E C 1.777 178.323 176.600 -0.090 0.000 0.982 332 E CA 1.001 57.301 56.400 -0.166 0.000 0.823 332 E CB 0.204 29.620 29.700 -0.472 0.000 0.766 332 E HN 0.341 nan 8.360 nan 0.000 0.468 333 K N 0.042 120.387 120.400 -0.091 0.000 2.141 333 K HA -0.041 4.279 4.320 -0.000 0.000 0.202 333 K C 1.791 178.361 176.600 -0.050 0.000 1.045 333 K CA 1.039 57.291 56.287 -0.059 0.000 0.971 333 K CB 0.067 32.534 32.500 -0.054 0.000 0.795 333 K HN -0.050 nan 8.250 nan 0.000 0.459 334 D N 0.891 121.254 120.400 -0.062 0.000 2.224 334 D HA -0.108 4.532 4.640 -0.000 0.000 0.205 334 D C -0.424 175.827 176.300 -0.080 0.000 0.965 334 D CA 0.431 54.390 54.000 -0.068 0.000 0.852 334 D CB 0.158 40.910 40.800 -0.080 0.000 0.947 334 D HN 0.025 nan 8.370 nan 0.000 0.494 335 R N -1.552 118.894 120.500 -0.091 0.000 1.933 335 R HA -0.220 4.120 4.340 -0.000 0.000 0.367 335 R C -0.029 176.189 176.300 -0.136 0.000 1.206 335 R CA 0.340 56.390 56.100 -0.084 0.000 1.060 335 R CB -0.968 29.317 30.300 -0.024 0.000 3.102 335 R HN 0.186 nan 8.270 nan 0.000 0.490 336 A N 4.369 127.035 122.820 -0.257 0.000 1.941 336 A HA 0.283 4.603 4.320 -0.000 0.000 0.214 336 A C 1.381 178.912 177.584 -0.088 0.000 1.368 336 A CA 0.810 52.686 52.037 -0.268 0.000 0.651 336 A CB 0.287 18.953 19.000 -0.557 0.000 1.064 336 A HN 0.583 nan 8.150 nan 0.000 0.492 337 L N -2.227 119.006 121.223 0.017 0.000 3.521 337 L HA 0.406 4.746 4.340 -0.000 0.000 0.323 337 L C 1.815 178.994 176.870 0.515 0.000 1.268 337 L CA 0.323 55.329 54.840 0.278 0.000 1.064 337 L CB -0.010 42.313 42.059 0.441 0.000 1.455 337 L HN 0.264 nan 8.230 nan 0.000 0.622 338 A N 1.356 124.484 122.820 0.513 0.000 1.969 338 A HA -0.330 3.990 4.320 -0.000 0.000 0.223 338 A C 2.417 180.253 177.584 0.420 0.000 1.218 338 A CA 2.727 55.112 52.037 0.580 0.000 0.667 338 A CB -0.586 18.653 19.000 0.398 0.000 0.826 338 A HN 0.521 nan 8.150 nan 0.000 0.472 339 R N -1.014 119.655 120.500 0.280 0.000 2.148 339 R HA -0.007 4.333 4.340 -0.000 0.000 0.223 339 R C 2.016 178.416 176.300 0.168 0.000 1.088 339 R CA 0.757 56.972 56.100 0.192 0.000 0.985 339 R CB -0.100 30.273 30.300 0.122 0.000 0.880 339 R HN 0.512 nan 8.270 nan 0.000 0.451 340 R N -0.671 119.933 120.500 0.173 0.000 2.276 340 R HA 0.024 4.364 4.340 -0.000 0.000 0.203 340 R C -0.131 176.097 176.300 -0.120 0.000 1.017 340 R CA 0.462 56.561 56.100 -0.001 0.000 1.010 340 R CB 0.145 30.392 30.300 -0.088 0.000 0.900 340 R HN 0.042 nan 8.270 nan 0.000 0.469 341 F N 0.284 120.300 119.950 0.110 0.000 2.440 341 F HA 0.275 4.801 4.527 -0.000 0.000 0.328 341 F C 0.481 176.306 175.800 0.042 0.000 1.070 341 F CA -0.928 57.116 58.000 0.072 0.000 1.011 341 F CB 1.245 40.280 39.000 0.059 0.000 1.226 341 F HN -0.288 nan 8.300 nan 0.000 0.491 342 Q N 2.623 122.550 119.800 0.212 0.000 2.341 342 Q HA 0.238 4.578 4.340 -0.000 0.000 0.268 342 Q C -0.778 175.241 176.000 0.032 0.000 1.013 342 Q CA -0.717 55.144 55.803 0.096 0.000 0.798 342 Q CB 1.350 30.119 28.738 0.052 0.000 1.253 342 Q HN 0.481 nan 8.270 nan 0.000 0.457 343 K N 4.176 124.545 120.400 -0.052 0.000 2.368 343 K HA 0.313 4.633 4.320 -0.000 0.000 0.282 343 K C -0.901 175.587 176.600 -0.186 0.000 1.035 343 K CA -0.077 56.076 56.287 -0.224 0.000 0.973 343 K CB 0.449 32.673 32.500 -0.461 0.000 0.957 343 K HN 0.684 nan 8.250 nan 0.000 0.474 344 I N 4.045 124.490 120.570 -0.209 0.000 2.439 344 I HA 0.119 4.289 4.170 -0.000 0.000 0.283 344 I C -0.761 175.227 176.117 -0.214 0.000 1.023 344 I CA -0.997 60.209 61.300 -0.157 0.000 1.100 344 I CB 1.734 39.677 38.000 -0.095 0.000 1.238 344 I HN 0.540 nan 8.210 nan 0.000 0.445 345 D N 7.204 127.489 120.400 -0.192 0.000 2.358 345 D HA 0.193 4.833 4.640 -0.000 0.000 0.258 345 D C -0.030 176.206 176.300 -0.107 0.000 1.223 345 D CA 0.186 54.070 54.000 -0.193 0.000 0.886 345 D CB 1.353 42.106 40.800 -0.078 0.000 1.120 345 D HN 0.197 nan 8.370 nan 0.000 0.482 346 I N 3.356 123.855 120.570 -0.118 0.000 2.361 346 I HA 0.077 4.247 4.170 -0.000 0.000 0.282 346 I C 0.751 176.876 176.117 0.014 0.000 1.075 346 I CA -0.337 60.933 61.300 -0.050 0.000 1.205 346 I CB -0.150 37.814 38.000 -0.061 0.000 1.406 346 I HN 0.005 nan 8.210 nan 0.000 0.481 347 T N 4.321 118.896 114.554 0.034 0.000 2.868 347 T HA 0.098 4.448 4.350 -0.000 0.000 0.292 347 T C 0.492 175.206 174.700 0.023 0.000 1.028 347 T CA -0.450 61.683 62.100 0.055 0.000 1.059 347 T CB 1.228 70.120 68.868 0.040 0.000 0.991 347 T HN 0.480 nan 8.240 nan 0.000 0.531 348 E N 2.195 122.405 120.200 0.016 0.000 2.376 348 E HA 0.104 4.454 4.350 -0.000 0.000 0.266 348 E C -2.184 174.427 176.600 0.017 0.000 1.009 348 E CA -1.624 54.788 56.400 0.020 0.000 0.902 348 E CB 0.304 30.034 29.700 0.050 0.000 0.972 348 E HN 0.229 nan 8.360 nan 0.000 0.439 349 P HA 0.003 nan 4.420 nan 0.000 0.269 349 P C -0.795 176.506 177.300 0.002 0.000 1.215 349 P CA -0.111 62.992 63.100 0.004 0.000 0.780 349 P CB 0.877 32.577 31.700 -0.001 0.000 0.898 350 S N 0.769 116.466 115.700 -0.005 0.000 2.641 350 S HA 0.174 4.644 4.470 -0.000 0.000 0.261 350 S C 1.750 176.342 174.600 -0.014 0.000 1.257 350 S CA -0.501 57.693 58.200 -0.010 0.000 0.983 350 S CB 0.026 63.219 63.200 -0.012 0.000 0.990 350 S HN 0.347 nan 8.310 nan 0.000 0.572 351 I N 1.142 121.701 120.570 -0.018 0.000 2.179 351 I HA -0.148 4.022 4.170 -0.000 0.000 0.242 351 I C 2.574 178.678 176.117 -0.022 0.000 1.088 351 I CA 1.206 62.493 61.300 -0.022 0.000 1.357 351 I CB -0.203 37.782 38.000 -0.025 0.000 1.051 351 I HN 0.578 nan 8.210 nan 0.000 0.409 352 E N 0.752 120.941 120.200 -0.020 0.000 2.110 352 E HA -0.218 4.131 4.350 -0.000 0.000 0.193 352 E C 2.050 178.636 176.600 -0.023 0.000 0.988 352 E CA 1.234 57.623 56.400 -0.020 0.000 0.804 352 E CB -0.077 29.613 29.700 -0.017 0.000 0.745 352 E HN 0.544 nan 8.360 nan 0.000 0.458 353 E N -0.375 119.813 120.200 -0.021 0.000 2.110 353 E HA -0.112 4.238 4.350 -0.000 0.000 0.193 353 E C 1.957 178.542 176.600 -0.025 0.000 0.988 353 E CA 1.364 57.751 56.400 -0.022 0.000 0.804 353 E CB -0.024 29.666 29.700 -0.017 0.000 0.745 353 E HN 0.139 nan 8.360 nan 0.000 0.458 354 T N 0.573 115.112 114.554 -0.024 0.000 2.857 354 T HA -0.070 4.280 4.350 -0.000 0.000 0.266 354 T C 2.090 176.767 174.700 -0.039 0.000 1.048 354 T CA 0.575 62.657 62.100 -0.030 0.000 1.139 354 T CB -0.032 68.820 68.868 -0.026 0.000 0.874 354 T HN -0.029 nan 8.240 nan 0.000 0.455 355 V N 1.630 121.523 119.914 -0.035 0.000 2.343 355 V HA -0.199 3.921 4.120 -0.000 0.000 0.247 355 V C 2.698 178.770 176.094 -0.038 0.000 1.051 355 V CA 1.616 63.894 62.300 -0.037 0.000 1.036 355 V CB -0.570 31.238 31.823 -0.026 0.000 0.654 355 V HN 0.489 nan 8.190 nan 0.000 0.451 356 Q N -0.764 119.014 119.800 -0.037 0.000 2.084 356 Q HA -0.163 4.177 4.340 -0.000 0.000 0.202 356 Q C 2.317 178.292 176.000 -0.042 0.000 0.978 356 Q CA 1.716 57.494 55.803 -0.043 0.000 0.844 356 Q CB -0.173 28.538 28.738 -0.045 0.000 0.898 356 Q HN 0.600 nan 8.270 nan 0.000 0.426 357 I N 0.594 121.141 120.570 -0.039 0.000 2.179 357 I HA -0.296 3.874 4.170 -0.000 0.000 0.242 357 I C 2.098 178.189 176.117 -0.044 0.000 1.088 357 I CA 0.810 62.087 61.300 -0.038 0.000 1.357 357 I CB -0.244 37.735 38.000 -0.035 0.000 1.051 357 I HN 0.230 nan 8.210 nan 0.000 0.409 358 I N 0.772 121.304 120.570 -0.063 0.000 2.226 358 I HA -0.263 3.907 4.170 -0.000 0.000 0.245 358 I C 2.151 178.226 176.117 -0.069 0.000 1.100 358 I CA 1.529 62.770 61.300 -0.098 0.000 1.374 358 I CB -1.640 36.277 38.000 -0.137 0.000 1.057 358 I HN 0.321 nan 8.210 nan 0.000 0.413 359 N N 1.250 119.924 118.700 -0.043 0.000 2.223 359 N HA -0.108 4.632 4.740 -0.000 0.000 0.185 359 N C 1.938 177.448 175.510 -0.001 0.000 1.016 359 N CA 1.464 54.506 53.050 -0.013 0.000 0.863 359 N CB -0.476 38.003 38.487 -0.012 0.000 0.983 359 N HN 0.439 nan 8.380 nan 0.000 0.429 360 G N -0.314 108.478 108.800 -0.012 0.000 2.511 360 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.217 360 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.217 360 G C 1.453 176.365 174.900 0.020 0.000 1.133 360 G CA 0.123 45.222 45.100 -0.002 0.000 0.792 360 G HN 0.240 nan 8.290 nan 0.000 0.539 361 L N -0.407 120.839 121.223 0.038 0.000 2.515 361 L HA 0.243 4.583 4.340 -0.000 0.000 0.223 361 L C 2.488 179.480 176.870 0.202 0.000 1.079 361 L CA 0.045 54.954 54.840 0.115 0.000 0.857 361 L CB -0.023 42.133 42.059 0.162 0.000 1.050 361 L HN 0.067 nan 8.230 nan 0.000 0.476 362 K N 1.527 121.992 120.400 0.108 0.000 2.059 362 K HA -0.219 4.101 4.320 -0.000 0.000 0.212 362 K C -0.629 176.101 176.600 0.217 0.000 1.050 362 K CA 1.976 58.331 56.287 0.114 0.000 0.927 362 K CB -0.910 31.614 32.500 0.040 0.000 0.714 362 K HN 0.167 nan 8.250 nan 0.000 0.447 363 P HA -0.143 nan 4.420 nan 0.000 0.218 363 P C 0.508 177.880 177.300 0.120 0.000 1.148 363 P CA 1.668 64.855 63.100 0.145 0.000 0.822 363 P CB 0.005 31.761 31.700 0.094 0.000 0.784 364 K N -2.044 118.402 120.400 0.077 0.000 2.217 364 K HA -0.095 4.225 4.320 -0.000 0.000 0.202 364 K C 1.945 178.483 176.600 -0.104 0.000 1.051 364 K CA 1.122 57.384 56.287 -0.041 0.000 0.952 364 K CB -0.453 31.967 32.500 -0.133 0.000 0.736 364 K HN 0.216 nan 8.250 nan 0.000 0.453 365 Y N 1.375 121.723 120.300 0.079 0.000 2.337 365 Y HA -0.053 4.497 4.550 -0.000 0.000 0.293 365 Y C 1.951 178.025 175.900 0.290 0.000 1.123 365 Y CA 0.938 59.126 58.100 0.147 0.000 1.201 365 Y CB 0.204 38.769 38.460 0.176 0.000 1.011 365 Y HN 0.085 nan 8.280 nan 0.000 0.545 366 E N -0.217 120.243 120.200 0.433 0.000 2.107 366 E HA -0.155 4.195 4.350 -0.000 0.000 0.191 366 E C 2.338 179.049 176.600 0.185 0.000 0.982 366 E CA 0.843 57.445 56.400 0.336 0.000 0.809 366 E CB -0.178 29.701 29.700 0.300 0.000 0.756 366 E HN 0.442 nan 8.360 nan 0.000 0.459 367 A N 1.316 124.214 122.820 0.129 0.000 1.898 367 A HA -0.202 4.118 4.320 -0.000 0.000 0.216 367 A C 2.061 179.663 177.584 0.030 0.000 1.181 367 A CA 1.354 53.430 52.037 0.065 0.000 0.620 367 A CB -0.627 18.398 19.000 0.041 0.000 0.819 367 A HN 0.303 nan 8.150 nan 0.000 0.442 368 H N -1.034 117.978 119.070 -0.098 0.000 2.326 368 H HA -0.117 4.439 4.556 -0.000 0.000 0.301 368 H C 1.453 176.688 175.328 -0.154 0.000 1.081 368 H CA 1.785 57.714 56.048 -0.199 0.000 1.334 368 H CB -0.101 29.419 29.762 -0.402 0.000 1.385 368 H HN 0.563 nan 8.280 nan 0.000 0.504 369 H N 0.135 119.315 119.070 0.182 0.000 2.548 369 H HA 0.021 4.577 4.556 -0.000 0.000 0.265 369 H C 0.181 175.520 175.328 0.019 0.000 0.969 369 H CA 0.803 56.918 56.048 0.111 0.000 1.155 369 H CB -0.113 29.761 29.762 0.186 0.000 1.394 369 H HN 0.407 nan 8.280 nan 0.000 0.570 370 D N 0.323 120.786 120.400 0.105 0.000 2.705 370 D HA -0.159 4.481 4.640 -0.000 0.000 0.240 370 D C -0.817 175.504 176.300 0.036 0.000 1.137 370 D CA 0.478 54.508 54.000 0.050 0.000 0.677 370 D CB -1.164 39.647 40.800 0.017 0.000 1.049 370 D HN 0.149 nan 8.370 nan 0.000 0.427 371 V N 0.392 120.328 119.914 0.037 0.000 3.232 371 V HA 0.678 4.798 4.120 -0.000 0.000 0.303 371 V C -1.045 175.011 176.094 -0.063 0.000 1.311 371 V CA -0.876 61.392 62.300 -0.053 0.000 1.061 371 V CB 2.293 34.025 31.823 -0.151 0.000 1.085 371 V HN 0.263 nan 8.190 nan 0.000 0.447 372 R N 1.850 122.273 120.500 -0.127 0.000 2.513 372 R HA 0.544 4.884 4.340 -0.000 0.000 0.301 372 R C -2.087 174.130 176.300 -0.138 0.000 0.968 372 R CA -0.454 55.606 56.100 -0.066 0.000 0.872 372 R CB 1.486 31.754 30.300 -0.054 0.000 1.177 372 R HN 0.698 nan 8.270 nan 0.000 0.444 373 Y N 2.279 122.587 120.300 0.014 0.000 2.327 373 Y HA 0.152 4.702 4.550 -0.000 0.000 0.336 373 Y C 1.038 176.915 175.900 -0.037 0.000 1.035 373 Y CA -0.214 57.885 58.100 -0.002 0.000 1.165 373 Y CB 1.668 40.140 38.460 0.020 0.000 1.181 373 Y HN 0.584 nan 8.280 nan 0.000 0.494 374 T N -1.120 113.483 114.554 0.083 0.000 2.860 374 T HA 0.326 4.676 4.350 -0.000 0.000 0.299 374 T C 1.333 176.060 174.700 0.046 0.000 1.045 374 T CA -0.262 61.846 62.100 0.014 0.000 1.071 374 T CB 1.312 70.173 68.868 -0.011 0.000 0.985 374 T HN 0.793 nan 8.240 nan 0.000 0.537 375 A N 1.122 123.954 122.820 0.020 0.000 1.933 375 A HA -0.063 4.257 4.320 -0.000 0.000 0.218 375 A C 2.373 179.972 177.584 0.024 0.000 1.175 375 A CA 1.750 53.808 52.037 0.034 0.000 0.628 375 A CB -0.829 18.191 19.000 0.033 0.000 0.814 375 A HN 0.950 nan 8.150 nan 0.000 0.444 376 K N -0.601 119.808 120.400 0.016 0.000 2.155 376 K HA 0.019 4.339 4.320 -0.000 0.000 0.203 376 K C 2.115 178.729 176.600 0.022 0.000 1.052 376 K CA 0.912 57.207 56.287 0.014 0.000 0.948 376 K CB -0.224 32.280 32.500 0.007 0.000 0.728 376 K HN 0.413 nan 8.250 nan 0.000 0.448 377 A N 0.370 123.213 122.820 0.038 0.000 1.897 377 A HA -0.072 4.248 4.320 -0.000 0.000 0.215 377 A C 2.161 179.771 177.584 0.042 0.000 1.181 377 A CA 1.085 53.156 52.037 0.056 0.000 0.620 377 A CB -0.481 18.581 19.000 0.103 0.000 0.821 377 A HN 0.120 nan 8.150 nan 0.000 0.443 378 V N 0.219 120.151 119.914 0.031 0.000 2.287 378 V HA -0.286 3.834 4.120 -0.000 0.000 0.248 378 V C 2.697 178.777 176.094 -0.023 0.000 1.053 378 V CA 2.460 64.746 62.300 -0.023 0.000 1.027 378 V CB -0.745 31.064 31.823 -0.024 0.000 0.646 378 V HN 0.708 nan 8.190 nan 0.000 0.447 379 R N 0.078 120.575 120.500 -0.006 0.000 2.096 379 R HA -0.141 4.199 4.340 -0.000 0.000 0.235 379 R C 2.229 178.526 176.300 -0.005 0.000 1.127 379 R CA 1.644 57.739 56.100 -0.008 0.000 0.968 379 R CB -0.444 29.855 30.300 -0.002 0.000 0.861 379 R HN 0.486 nan 8.270 nan 0.000 0.440 380 A N 0.674 123.498 122.820 0.007 0.000 1.930 380 A HA -0.061 4.259 4.320 -0.000 0.000 0.217 380 A C 2.352 179.946 177.584 0.016 0.000 1.175 380 A CA 1.499 53.547 52.037 0.018 0.000 0.627 380 A CB -0.725 18.291 19.000 0.028 0.000 0.815 380 A HN 0.543 nan 8.150 nan 0.000 0.443 381 A N -0.435 122.386 122.820 0.002 0.000 1.883 381 A HA -0.038 4.282 4.320 -0.000 0.000 0.217 381 A C 2.253 179.826 177.584 -0.019 0.000 1.186 381 A CA 1.966 53.996 52.037 -0.011 0.000 0.624 381 A CB -0.972 18.000 19.000 -0.046 0.000 0.822 381 A HN 0.386 nan 8.150 nan 0.000 0.444 382 V N 0.034 119.931 119.914 -0.029 0.000 2.244 382 V HA -0.252 3.868 4.120 -0.000 0.000 0.244 382 V C 2.433 178.509 176.094 -0.030 0.000 1.042 382 V CA 2.259 64.540 62.300 -0.032 0.000 1.006 382 V CB -0.958 30.844 31.823 -0.035 0.000 0.641 382 V HN 0.638 nan 8.190 nan 0.000 0.446 383 E N 0.109 120.293 120.200 -0.026 0.000 2.077 383 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 383 E C 2.205 178.774 176.600 -0.052 0.000 0.989 383 E CA 1.269 57.646 56.400 -0.039 0.000 0.800 383 E CB -0.206 29.478 29.700 -0.027 0.000 0.746 383 E HN 0.503 nan 8.360 nan 0.000 0.452 384 L N 0.361 121.588 121.223 0.006 0.000 2.156 384 L HA -0.074 4.266 4.340 -0.000 0.000 0.208 384 L C 2.524 179.431 176.870 0.062 0.000 1.095 384 L CA 0.667 55.556 54.840 0.082 0.000 0.770 384 L CB -0.363 41.805 42.059 0.182 0.000 0.914 384 L HN 0.121 nan 8.230 nan 0.000 0.439 385 A N -0.380 122.452 122.820 0.019 0.000 1.968 385 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 385 A C 2.334 179.889 177.584 -0.049 0.000 1.169 385 A CA 1.208 53.248 52.037 0.005 0.000 0.638 385 A CB -0.559 18.436 19.000 -0.008 0.000 0.812 385 A HN 0.169 nan 8.150 nan 0.000 0.446 386 V N 0.024 119.889 119.914 -0.082 0.000 2.358 386 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 386 V C 2.432 178.417 176.094 -0.182 0.000 1.047 386 V CA 2.321 64.556 62.300 -0.109 0.000 1.035 386 V CB -0.517 31.251 31.823 -0.092 0.000 0.658 386 V HN 0.550 nan 8.190 nan 0.000 0.452 387 K N -1.185 119.029 120.400 -0.311 0.000 2.076 387 K HA -0.066 4.254 4.320 -0.000 0.000 0.204 387 K C 1.845 178.071 176.600 -0.623 0.000 1.051 387 K CA 1.645 57.578 56.287 -0.591 0.000 0.949 387 K CB -0.110 31.766 32.500 -1.039 0.000 0.726 387 K HN 0.570 nan 8.250 nan 0.000 0.443 388 Y N -0.506 119.785 120.300 -0.014 0.000 2.483 388 Y HA 0.277 4.827 4.550 -0.000 0.000 0.258 388 Y C 0.725 176.620 175.900 -0.008 0.000 1.083 388 Y CA -0.453 57.645 58.100 -0.004 0.000 1.283 388 Y CB 0.718 39.179 38.460 0.000 0.000 1.178 388 Y HN -0.174 nan 8.280 nan 0.000 0.515 389 I N 2.099 122.718 120.570 0.081 0.000 2.325 389 I HA 0.092 4.262 4.170 -0.000 0.000 0.285 389 I C 0.259 176.352 176.117 -0.040 0.000 1.128 389 I CA -0.046 61.271 61.300 0.029 0.000 1.261 389 I CB 0.065 38.075 38.000 0.017 0.000 1.529 389 I HN 0.283 nan 8.210 nan 0.000 0.557 390 N N 2.561 121.241 118.700 -0.033 0.000 2.457 390 N HA -0.105 4.635 4.740 -0.000 0.000 0.180 390 N C 0.950 176.377 175.510 -0.138 0.000 1.050 390 N CA 0.731 53.729 53.050 -0.087 0.000 0.906 390 N CB 0.209 38.664 38.487 -0.054 0.000 0.968 390 N HN 0.605 nan 8.380 nan 0.000 0.445 391 D N 0.008 120.347 120.400 -0.103 0.000 2.339 391 D HA 0.039 4.679 4.640 -0.000 0.000 0.217 391 D C 0.638 176.833 176.300 -0.175 0.000 1.050 391 D CA 0.187 54.125 54.000 -0.104 0.000 0.856 391 D CB 0.370 41.155 40.800 -0.025 0.000 0.922 391 D HN 0.090 nan 8.370 nan 0.000 0.518 392 R N -0.632 119.713 120.500 -0.257 0.000 2.939 392 R HA 0.511 4.851 4.340 -0.000 0.000 0.254 392 R C -0.273 175.733 176.300 -0.490 0.000 1.123 392 R CA -0.767 55.185 56.100 -0.246 0.000 1.020 392 R CB 1.647 31.906 30.300 -0.068 0.000 1.206 392 R HN 0.137 nan 8.270 nan 0.000 0.491 393 H N 0.211 119.287 119.070 0.009 0.000 2.865 393 H HA 0.354 4.910 4.556 -0.000 0.000 0.372 393 H C -0.333 174.995 175.328 -0.000 0.000 1.173 393 H CA -0.802 55.248 56.048 0.003 0.000 1.147 393 H CB 1.773 31.542 29.762 0.012 0.000 1.805 393 H HN 0.169 nan 8.280 nan 0.000 0.553 394 L N 2.231 123.529 121.223 0.125 0.000 2.436 394 L HA 0.116 4.456 4.340 -0.000 0.000 0.265 394 L C -1.406 175.500 176.870 0.061 0.000 1.168 394 L CA -1.565 53.309 54.840 0.058 0.000 0.815 394 L CB 0.601 42.677 42.059 0.029 0.000 1.109 394 L HN 0.436 nan 8.230 nan 0.000 0.462 395 P HA 0.003 nan 4.420 nan 0.000 0.251 395 P C 0.646 177.947 177.300 0.002 0.000 1.223 395 P CA 0.166 63.269 63.100 0.005 0.000 0.796 395 P CB 0.281 31.976 31.700 -0.009 0.000 1.068 396 D N 2.000 122.415 120.400 0.026 0.000 2.126 396 D HA -0.234 4.406 4.640 -0.000 0.000 0.190 396 D C 1.912 178.217 176.300 0.009 0.000 1.001 396 D CA 1.776 55.792 54.000 0.026 0.000 0.841 396 D CB -0.133 40.699 40.800 0.054 0.000 0.949 396 D HN 0.191 nan 8.370 nan 0.000 0.446 397 K N -0.237 120.170 120.400 0.012 0.000 2.211 397 K HA 0.032 4.352 4.320 -0.000 0.000 0.203 397 K C 2.079 178.666 176.600 -0.022 0.000 1.050 397 K CA 1.241 57.527 56.287 -0.003 0.000 0.945 397 K CB -0.139 32.357 32.500 -0.007 0.000 0.732 397 K HN 0.126 nan 8.250 nan 0.000 0.451 398 A N 1.817 124.616 122.820 -0.035 0.000 1.930 398 A HA 0.049 4.369 4.320 -0.000 0.000 0.215 398 A C 2.140 179.657 177.584 -0.112 0.000 1.176 398 A CA 0.768 52.768 52.037 -0.062 0.000 0.632 398 A CB -0.435 18.529 19.000 -0.061 0.000 0.819 398 A HN 0.273 nan 8.150 nan 0.000 0.445 399 I N -0.141 120.358 120.570 -0.118 0.000 2.252 399 I HA -0.214 3.956 4.170 -0.000 0.000 0.245 399 I C 1.818 177.826 176.117 -0.182 0.000 1.102 399 I CA 1.327 62.506 61.300 -0.202 0.000 1.385 399 I CB -0.404 37.521 38.000 -0.125 0.000 1.064 399 I HN 0.202 nan 8.210 nan 0.000 0.414 400 D N 0.581 120.936 120.400 -0.075 0.000 2.117 400 D HA -0.138 4.502 4.640 -0.000 0.000 0.197 400 D C 2.361 178.640 176.300 -0.034 0.000 0.987 400 D CA 1.112 55.094 54.000 -0.029 0.000 0.829 400 D CB -0.241 40.560 40.800 0.002 0.000 0.961 400 D HN 0.090 nan 8.370 nan 0.000 0.460 401 V N 1.264 121.150 119.914 -0.045 0.000 2.343 401 V HA -0.214 3.906 4.120 -0.000 0.000 0.247 401 V C 2.437 178.508 176.094 -0.039 0.000 1.051 401 V CA 0.942 63.225 62.300 -0.029 0.000 1.036 401 V CB -0.202 31.608 31.823 -0.023 0.000 0.654 401 V HN 0.213 nan 8.190 nan 0.000 0.451 402 I N 0.258 120.750 120.570 -0.130 0.000 2.179 402 I HA -0.205 3.965 4.170 -0.000 0.000 0.242 402 I C 2.399 178.479 176.117 -0.062 0.000 1.088 402 I CA 1.917 63.094 61.300 -0.204 0.000 1.357 402 I CB -1.122 36.553 38.000 -0.543 0.000 1.051 402 I HN 0.399 nan 8.210 nan 0.000 0.409 403 D N 0.662 120.994 120.400 -0.113 0.000 2.117 403 D HA -0.224 4.416 4.640 -0.000 0.000 0.198 403 D C 2.084 178.462 176.300 0.130 0.000 0.982 403 D CA 1.223 55.328 54.000 0.175 0.000 0.828 403 D CB 0.144 41.072 40.800 0.213 0.000 0.967 403 D HN 0.149 nan 8.370 nan 0.000 0.464 404 E N -0.177 120.054 120.200 0.052 0.000 2.110 404 E HA -0.027 4.322 4.350 -0.000 0.000 0.193 404 E C 1.869 178.458 176.600 -0.019 0.000 0.988 404 E CA 1.264 57.676 56.400 0.020 0.000 0.804 404 E CB -0.376 29.336 29.700 0.019 0.000 0.745 404 E HN 0.276 nan 8.360 nan 0.000 0.458 405 A N -0.174 122.655 122.820 0.015 0.000 1.930 405 A HA -0.002 4.318 4.320 -0.000 0.000 0.217 405 A C 2.384 179.918 177.584 -0.083 0.000 1.175 405 A CA 1.585 53.629 52.037 0.012 0.000 0.627 405 A CB -1.027 18.036 19.000 0.105 0.000 0.815 405 A HN 0.384 nan 8.150 nan 0.000 0.443 406 G N -0.540 108.186 108.800 -0.123 0.000 2.402 406 G HA2 0.067 4.027 3.960 -0.000 0.000 0.216 406 G HA3 0.067 4.027 3.960 -0.000 0.000 0.216 406 G C 1.718 176.195 174.900 -0.706 0.000 1.162 406 G CA 1.247 46.081 45.100 -0.444 0.000 0.777 406 G HN 0.736 nan 8.290 nan 0.000 0.539 407 A N 0.698 123.093 122.820 -0.708 0.000 1.930 407 A HA 0.019 4.339 4.320 -0.000 0.000 0.217 407 A C 2.292 179.809 177.584 -0.111 0.000 1.175 407 A CA 1.762 53.635 52.037 -0.274 0.000 0.627 407 A CB -0.456 18.520 19.000 -0.041 0.000 0.815 407 A HN 0.354 nan 8.150 nan 0.000 0.443 408 R N -0.182 120.256 120.500 -0.104 0.000 2.105 408 R HA -0.148 4.192 4.340 -0.000 0.000 0.239 408 R C 2.163 178.428 176.300 -0.059 0.000 1.135 408 R CA 1.473 57.539 56.100 -0.058 0.000 0.967 408 R CB -0.421 29.850 30.300 -0.048 0.000 0.861 408 R HN 0.433 nan 8.270 nan 0.000 0.442 409 A N 1.059 123.826 122.820 -0.088 0.000 2.024 409 A HA -0.137 4.182 4.320 -0.000 0.000 0.220 409 A C 1.946 179.505 177.584 -0.042 0.000 1.164 409 A CA 1.106 53.099 52.037 -0.073 0.000 0.643 409 A CB -0.373 18.564 19.000 -0.104 0.000 0.806 409 A HN 0.251 nan 8.150 nan 0.000 0.451 410 R N -0.469 120.014 120.500 -0.028 0.000 2.148 410 R HA 0.037 4.377 4.340 -0.000 0.000 0.227 410 R C 1.899 178.196 176.300 -0.005 0.000 1.103 410 R CA 0.808 56.907 56.100 -0.003 0.000 0.983 410 R CB -0.758 29.556 30.300 0.024 0.000 0.874 410 R HN 0.586 nan 8.270 nan 0.000 0.451 411 L N 0.298 121.515 121.223 -0.009 0.000 2.093 411 L HA -0.033 4.307 4.340 -0.000 0.000 0.208 411 L C 1.033 177.897 176.870 -0.010 0.000 1.085 411 L CA 0.707 55.543 54.840 -0.007 0.000 0.755 411 L CB -0.233 41.822 42.059 -0.008 0.000 0.904 411 L HN 0.102 nan 8.230 nan 0.000 0.435 412 M N 0.001 119.592 119.600 -0.016 0.000 2.219 412 M HA 0.116 4.596 4.480 -0.000 0.000 0.353 412 M C -1.330 174.961 176.300 -0.014 0.000 1.304 412 M CA -1.412 53.878 55.300 -0.016 0.000 1.115 412 M CB 0.371 32.957 32.600 -0.022 0.000 1.664 412 M HN -0.213 nan 8.290 nan 0.000 0.459 413 P HA -0.348 nan 4.420 nan 0.000 0.262 413 P C 1.040 178.336 177.300 -0.008 0.000 0.791 413 P CA 1.248 64.342 63.100 -0.009 0.000 1.083 413 P CB -0.275 31.420 31.700 -0.010 0.000 0.832 414 V N -3.023 116.886 119.914 -0.009 0.000 2.341 414 V HA 0.128 4.248 4.120 -0.000 0.000 0.240 414 V C 1.079 177.169 176.094 -0.008 0.000 1.035 414 V CA 1.804 64.100 62.300 -0.007 0.000 1.033 414 V CB -0.132 31.686 31.823 -0.007 0.000 0.678 414 V HN 0.529 nan 8.190 nan 0.000 0.464 415 S N -0.239 115.453 115.700 -0.013 0.000 2.532 415 S HA 0.084 4.554 4.470 -0.000 0.000 0.184 415 S C -0.700 173.884 174.600 -0.027 0.000 0.639 415 S CA -0.751 57.438 58.200 -0.018 0.000 0.834 415 S CB -0.160 63.035 63.200 -0.007 0.000 1.421 415 S HN 0.386 nan 8.310 nan 0.000 0.444 416 K N 3.520 123.899 120.400 -0.034 0.000 2.165 416 K HA 0.232 4.552 4.320 -0.000 0.000 0.270 416 K C 1.572 178.141 176.600 -0.053 0.000 1.091 416 K CA -0.286 55.979 56.287 -0.038 0.000 1.019 416 K CB 0.102 32.581 32.500 -0.035 0.000 1.101 416 K HN 0.606 nan 8.250 nan 0.000 0.397 417 R N 2.667 123.139 120.500 -0.046 0.000 2.405 417 R HA -0.326 4.014 4.340 -0.000 0.000 0.255 417 R C 0.048 176.298 176.300 -0.083 0.000 1.056 417 R CA 2.244 58.311 56.100 -0.055 0.000 0.949 417 R CB -0.656 29.623 30.300 -0.036 0.000 0.909 417 R HN 0.750 nan 8.270 nan 0.000 0.466 418 K N -3.554 116.800 120.400 -0.075 0.000 2.972 418 K HA -0.209 4.111 4.320 -0.000 0.000 0.853 418 K C 0.061 176.621 176.600 -0.066 0.000 2.102 418 K CA 1.101 57.340 56.287 -0.080 0.000 1.382 418 K CB -0.685 31.745 32.500 -0.115 0.000 2.605 418 K HN 0.160 nan 8.250 nan 0.000 0.218 419 K N -2.104 118.256 120.400 -0.066 0.000 2.828 419 K HA 0.128 4.448 4.320 -0.000 0.000 0.299 419 K C -0.918 175.643 176.600 -0.064 0.000 2.714 419 K CA 0.292 56.542 56.287 -0.061 0.000 1.435 419 K CB 0.661 33.134 32.500 -0.045 0.000 3.131 419 K HN 0.525 nan 8.250 nan 0.000 0.496 420 T N 1.471 115.996 114.554 -0.048 0.000 3.516 420 T HA 0.524 4.874 4.350 -0.000 0.000 0.245 420 T C -1.523 173.158 174.700 -0.031 0.000 1.077 420 T CA -0.359 61.715 62.100 -0.043 0.000 1.222 420 T CB 0.607 69.453 68.868 -0.037 0.000 1.045 420 T HN 0.146 nan 8.240 nan 0.000 0.585 421 V N 0.914 120.810 119.914 -0.030 0.000 2.811 421 V HA 0.358 4.478 4.120 -0.000 0.000 0.253 421 V C -0.297 175.784 176.094 -0.022 0.000 1.801 421 V CA -0.963 61.325 62.300 -0.021 0.000 0.886 421 V CB 1.826 33.637 31.823 -0.020 0.000 1.362 421 V HN 0.520 nan 8.190 nan 0.000 0.455 422 N N 0.929 119.623 118.700 -0.011 0.000 1.912 422 N HA -0.009 4.731 4.740 -0.000 0.000 0.255 422 N C 0.930 176.448 175.510 0.012 0.000 1.405 422 N CA 0.671 53.717 53.050 -0.006 0.000 0.728 422 N CB 0.483 38.971 38.487 0.002 0.000 1.236 422 N HN 0.388 nan 8.380 nan 0.000 0.600 423 V N 1.510 121.431 119.914 0.013 0.000 2.392 423 V HA -0.193 3.927 4.120 -0.000 0.000 0.249 423 V C 2.524 178.626 176.094 0.013 0.000 1.059 423 V CA 2.385 64.696 62.300 0.018 0.000 1.051 423 V CB -0.678 31.154 31.823 0.015 0.000 0.658 423 V HN 0.451 nan 8.190 nan 0.000 0.455 424 A N -0.311 122.510 122.820 0.003 0.000 1.972 424 A HA -0.245 4.075 4.320 -0.000 0.000 0.219 424 A C 2.020 179.601 177.584 -0.005 0.000 1.169 424 A CA 1.929 53.964 52.037 -0.004 0.000 0.635 424 A CB -0.493 18.502 19.000 -0.009 0.000 0.810 424 A HN 0.587 nan 8.150 nan 0.000 0.446 425 D N 0.152 120.549 120.400 -0.004 0.000 2.097 425 D HA -0.116 4.524 4.640 -0.000 0.000 0.197 425 D C 1.935 178.239 176.300 0.007 0.000 0.984 425 D CA 1.094 55.090 54.000 -0.006 0.000 0.826 425 D CB -0.266 40.525 40.800 -0.014 0.000 0.973 425 D HN 0.317 nan 8.370 nan 0.000 0.460 426 I N 1.760 122.344 120.570 0.023 0.000 2.163 426 I HA -0.219 3.951 4.170 -0.000 0.000 0.243 426 I C 2.258 178.388 176.117 0.021 0.000 1.085 426 I CA 1.179 62.498 61.300 0.032 0.000 1.347 426 I CB -1.170 36.855 38.000 0.042 0.000 1.044 426 I HN 0.078 nan 8.210 nan 0.000 0.408 427 E N 0.439 120.647 120.200 0.014 0.000 2.118 427 E HA -0.174 4.176 4.350 -0.000 0.000 0.195 427 E C 2.352 178.941 176.600 -0.018 0.000 0.992 427 E CA 1.597 57.998 56.400 0.001 0.000 0.804 427 E CB -0.063 29.634 29.700 -0.006 0.000 0.741 427 E HN 0.361 nan 8.360 nan 0.000 0.458 428 S N 0.073 115.764 115.700 -0.015 0.000 2.371 428 S HA -0.095 4.375 4.470 -0.000 0.000 0.224 428 S C 2.146 176.737 174.600 -0.014 0.000 1.029 428 S CA 0.614 58.802 58.200 -0.020 0.000 0.978 428 S CB 0.021 63.210 63.200 -0.017 0.000 0.833 428 S HN 0.056 nan 8.310 nan 0.000 0.466 429 V N 1.401 121.312 119.914 -0.005 0.000 2.307 429 V HA -0.118 4.002 4.120 -0.000 0.000 0.245 429 V C 2.287 178.384 176.094 0.004 0.000 1.045 429 V CA 1.395 63.696 62.300 0.001 0.000 1.024 429 V CB -0.637 31.192 31.823 0.009 0.000 0.651 429 V HN 0.325 nan 8.190 nan 0.000 0.449 430 V N 0.299 120.219 119.914 0.010 0.000 2.407 430 V HA -0.233 3.887 4.120 -0.000 0.000 0.248 430 V C 2.659 178.752 176.094 -0.002 0.000 1.055 430 V CA 1.906 64.220 62.300 0.024 0.000 1.049 430 V CB -1.034 30.827 31.823 0.064 0.000 0.662 430 V HN 0.561 nan 8.190 nan 0.000 0.455 431 A N -0.237 122.562 122.820 -0.036 0.000 1.969 431 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 431 A C 2.436 179.998 177.584 -0.036 0.000 1.169 431 A CA 1.757 53.755 52.037 -0.064 0.000 0.635 431 A CB -0.510 18.442 19.000 -0.080 0.000 0.810 431 A HN 0.450 nan 8.150 nan 0.000 0.445 432 R N -0.275 120.213 120.500 -0.020 0.000 2.090 432 R HA -0.013 4.327 4.340 -0.000 0.000 0.228 432 R C 1.881 178.180 176.300 -0.002 0.000 1.110 432 R CA 1.441 57.535 56.100 -0.011 0.000 0.973 432 R CB -0.309 29.987 30.300 -0.006 0.000 0.869 432 R HN 0.562 nan 8.270 nan 0.000 0.440 433 I N 0.671 121.244 120.570 0.005 0.000 2.202 433 I HA -0.183 3.987 4.170 -0.000 0.000 0.242 433 I C 2.420 178.547 176.117 0.017 0.000 1.091 433 I CA 1.196 62.504 61.300 0.013 0.000 1.368 433 I CB -0.380 37.632 38.000 0.019 0.000 1.058 433 I HN 0.194 nan 8.210 nan 0.000 0.410 434 A N 0.160 122.992 122.820 0.019 0.000 2.186 434 A HA -0.069 4.251 4.320 -0.000 0.000 0.219 434 A C 0.836 178.425 177.584 0.008 0.000 1.159 434 A CA 0.747 52.801 52.037 0.029 0.000 0.680 434 A CB -0.214 18.809 19.000 0.039 0.000 0.787 434 A HN 0.504 nan 8.150 nan 0.000 0.467 435 R N -3.904 116.594 120.500 -0.004 0.000 7.145 435 R HA -0.037 4.303 4.340 -0.000 0.000 0.218 435 R C -0.590 175.699 176.300 -0.019 0.000 0.853 435 R CA 0.540 56.636 56.100 -0.008 0.000 1.646 435 R CB -1.013 29.282 30.300 -0.008 0.000 1.270 435 R HN 0.479 nan 8.270 nan 0.000 0.824 436 I N 0.322 120.885 120.570 -0.011 0.000 4.944 436 I HA 0.064 4.233 4.170 -0.000 0.000 0.397 436 I C -1.902 174.214 176.117 -0.003 0.000 1.068 436 I CA -0.336 60.955 61.300 -0.014 0.000 1.481 436 I CB 0.772 38.762 38.000 -0.017 0.000 2.322 436 I HN 0.390 nan 8.210 nan 0.000 0.736 437 P HA -0.094 nan 4.420 nan 0.000 0.214 437 P C -0.075 177.236 177.300 0.020 0.000 0.970 437 P CA 1.105 64.217 63.100 0.021 0.000 1.047 437 P CB 0.094 31.820 31.700 0.043 0.000 1.015 438 E N 2.882 123.088 120.200 0.010 0.000 3.268 438 E HA 0.144 4.494 4.350 -0.000 0.000 0.447 438 E C 0.020 176.625 176.600 0.009 0.000 0.300 438 E CA -0.658 55.747 56.400 0.008 0.000 2.603 438 E CB 0.094 29.794 29.700 -0.000 0.000 2.252 438 E HN 0.349 nan 8.360 nan 0.000 0.437 439 K N -0.050 120.352 120.400 0.003 0.000 3.795 439 K HA -0.117 4.203 4.320 -0.000 0.000 0.287 439 K C -1.551 175.051 176.600 0.003 0.000 1.083 439 K CA 0.504 56.791 56.287 0.000 0.000 0.875 439 K CB -2.186 30.311 32.500 -0.005 0.000 1.413 439 K HN 0.169 nan 8.250 nan 0.000 0.447 440 S N 0.529 116.231 115.700 0.002 0.000 2.680 440 S HA 0.334 4.804 4.470 -0.000 0.000 0.140 440 S C 0.157 174.758 174.600 0.001 0.000 1.357 440 S CA -0.226 57.976 58.200 0.004 0.000 1.201 440 S CB 1.098 64.302 63.200 0.008 0.000 1.547 440 S HN 0.617 nan 8.310 nan 0.000 0.411 441 V N -0.970 118.944 119.914 -0.001 0.000 7.022 441 V HA 0.668 4.788 4.120 -0.000 0.000 0.242 441 V C 0.536 176.628 176.094 -0.003 0.000 1.627 441 V CA -0.267 62.032 62.300 -0.002 0.000 0.737 441 V CB 0.088 31.909 31.823 -0.004 0.000 1.827 441 V HN 0.518 nan 8.190 nan 0.000 0.336 442 S N 1.004 116.702 115.700 -0.003 0.000 3.700 442 S HA 0.703 5.173 4.470 -0.000 0.000 0.192 442 S C -0.291 174.307 174.600 -0.004 0.000 1.430 442 S CA -0.267 57.931 58.200 -0.003 0.000 0.999 442 S CB -1.184 62.014 63.200 -0.004 0.000 1.411 442 S HN 0.791 nan 8.310 nan 0.000 0.491 443 Q N 0.358 120.156 119.800 -0.003 0.000 3.191 443 Q HA 0.088 4.428 4.340 -0.000 0.000 0.172 443 Q C -0.017 175.980 176.000 -0.004 0.000 1.015 443 Q CA -0.100 55.700 55.803 -0.004 0.000 1.081 443 Q CB -0.369 28.366 28.738 -0.004 0.000 2.182 443 Q HN 0.481 nan 8.270 nan 0.000 0.576 444 S N -0.032 115.665 115.700 -0.004 0.000 4.155 444 S HA -0.297 4.173 4.470 -0.000 0.000 0.346 444 S C 0.921 175.519 174.600 -0.004 0.000 1.863 444 S CA 1.854 60.051 58.200 -0.005 0.000 4.245 444 S CB -1.249 61.947 63.200 -0.007 0.000 0.217 444 S HN 0.898 nan 8.310 nan 0.000 0.454 445 D N 1.485 121.884 120.400 -0.003 0.000 2.144 445 D HA -0.074 4.566 4.640 -0.000 0.000 0.199 445 D C 1.971 178.272 176.300 0.001 0.000 0.984 445 D CA 1.516 55.516 54.000 -0.000 0.000 0.834 445 D CB -0.374 40.427 40.800 0.002 0.000 0.955 445 D HN 0.557 nan 8.370 nan 0.000 0.465 446 R N 0.890 121.390 120.500 -0.000 0.000 2.091 446 R HA -0.196 4.144 4.340 -0.000 0.000 0.238 446 R C 1.602 177.902 176.300 -0.001 0.000 1.136 446 R CA 1.967 58.067 56.100 -0.000 0.000 0.959 446 R CB -0.359 29.941 30.300 -0.001 0.000 0.856 446 R HN 0.061 nan 8.270 nan 0.000 0.437 447 D N -0.703 119.696 120.400 -0.002 0.000 2.144 447 D HA -0.145 4.495 4.640 -0.000 0.000 0.199 447 D C 1.919 178.217 176.300 -0.003 0.000 0.984 447 D CA 1.985 55.983 54.000 -0.002 0.000 0.834 447 D CB 0.066 40.864 40.800 -0.003 0.000 0.955 447 D HN 0.469 nan 8.370 nan 0.000 0.465 448 T N -1.738 112.815 114.554 -0.002 0.000 2.851 448 T HA -0.052 4.298 4.350 -0.000 0.000 0.262 448 T C 2.171 176.870 174.700 -0.002 0.000 1.043 448 T CA 0.642 62.741 62.100 -0.002 0.000 1.140 448 T CB -0.511 68.356 68.868 -0.002 0.000 0.872 448 T HN 0.152 nan 8.240 nan 0.000 0.446 449 L N 0.611 121.834 121.223 0.000 0.000 2.093 449 L HA 0.066 4.406 4.340 -0.000 0.000 0.208 449 L C 3.033 179.902 176.870 -0.002 0.000 1.085 449 L CA 1.564 56.405 54.840 0.001 0.000 0.755 449 L CB -0.521 41.541 42.059 0.005 0.000 0.904 449 L HN 0.278 nan 8.230 nan 0.000 0.435 450 K N 0.469 120.868 120.400 -0.003 0.000 2.211 450 K HA -0.133 4.187 4.320 -0.000 0.000 0.203 450 K C 1.247 177.844 176.600 -0.006 0.000 1.050 450 K CA 1.501 57.786 56.287 -0.004 0.000 0.945 450 K CB 0.095 32.593 32.500 -0.003 0.000 0.732 450 K HN 0.324 nan 8.250 nan 0.000 0.451 451 N N 0.033 118.730 118.700 -0.005 0.000 2.254 451 N HA 0.110 4.850 4.740 -0.000 0.000 0.190 451 N C 1.160 176.664 175.510 -0.009 0.000 1.107 451 N CA -0.178 52.868 53.050 -0.006 0.000 0.869 451 N CB 0.362 38.847 38.487 -0.004 0.000 0.983 451 N HN 0.024 nan 8.380 nan 0.000 0.487 452 L N 0.521 121.738 121.223 -0.011 0.000 1.978 452 L HA -0.233 4.107 4.340 -0.000 0.000 0.218 452 L C 2.355 179.212 176.870 -0.023 0.000 1.075 452 L CA 1.846 56.677 54.840 -0.015 0.000 0.767 452 L CB -0.945 41.105 42.059 -0.014 0.000 0.890 452 L HN 0.343 nan 8.230 nan 0.000 0.434 453 G N -0.642 108.143 108.800 -0.026 0.000 2.529 453 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.219 453 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.219 453 G C 1.117 176.002 174.900 -0.025 0.000 1.177 453 G CA 1.231 46.311 45.100 -0.033 0.000 0.773 453 G HN 0.369 nan 8.290 nan 0.000 0.573 454 D N -0.299 120.093 120.400 -0.013 0.000 2.117 454 D HA -0.046 4.594 4.640 -0.000 0.000 0.198 454 D C 2.397 178.697 176.300 -0.001 0.000 0.982 454 D CA 0.604 54.603 54.000 -0.002 0.000 0.828 454 D CB -0.265 40.536 40.800 0.002 0.000 0.967 454 D HN 0.324 nan 8.370 nan 0.000 0.464 455 R N 0.497 120.992 120.500 -0.009 0.000 2.073 455 R HA -0.075 4.265 4.340 -0.000 0.000 0.234 455 R C 2.351 178.634 176.300 -0.028 0.000 1.134 455 R CA 0.916 57.009 56.100 -0.012 0.000 0.952 455 R CB -0.315 29.977 30.300 -0.014 0.000 0.850 455 R HN 0.176 nan 8.270 nan 0.000 0.433 456 L N 0.485 121.685 121.223 -0.039 0.000 2.141 456 L HA -0.118 4.222 4.340 -0.000 0.000 0.209 456 L C 2.238 179.054 176.870 -0.090 0.000 1.094 456 L CA 1.313 56.115 54.840 -0.063 0.000 0.763 456 L CB -0.254 41.771 42.059 -0.057 0.000 0.908 456 L HN 0.160 nan 8.230 nan 0.000 0.437 457 K N -0.336 120.035 120.400 -0.049 0.000 2.442 457 K HA -0.110 4.210 4.320 -0.000 0.000 0.198 457 K C 1.918 178.548 176.600 0.050 0.000 1.042 457 K CA 0.833 57.112 56.287 -0.013 0.000 0.958 457 K CB 0.049 32.564 32.500 0.025 0.000 0.766 457 K HN 0.277 nan 8.250 nan 0.000 0.474 458 M N 0.058 119.671 119.600 0.021 0.000 2.510 458 M HA 0.048 4.528 4.480 -0.000 0.000 0.256 458 M C 1.044 177.328 176.300 -0.026 0.000 1.132 458 M CA 1.000 56.369 55.300 0.116 0.000 1.105 458 M CB 0.504 33.148 32.600 0.073 0.000 1.375 458 M HN 0.065 nan 8.290 nan 0.000 0.477 459 L N -0.957 120.113 121.223 -0.256 0.000 2.537 459 L HA 0.265 4.605 4.340 -0.000 0.000 0.224 459 L C -0.099 176.332 176.870 -0.731 0.000 1.065 459 L CA -0.295 54.322 54.840 -0.372 0.000 0.860 459 L CB 0.949 42.893 42.059 -0.192 0.000 1.086 459 L HN -0.105 nan 8.230 nan 0.000 0.482 460 V N 0.380 119.871 119.914 -0.705 0.000 2.444 460 V HA 0.395 4.515 4.120 -0.000 0.000 0.294 460 V C -0.707 175.046 176.094 -0.568 0.000 1.022 460 V CA -0.569 61.371 62.300 -0.600 0.000 0.850 460 V CB 1.504 33.204 31.823 -0.206 0.000 0.992 460 V HN -0.050 nan 8.190 nan 0.000 0.426 461 F N 1.369 121.343 119.950 0.040 0.000 2.541 461 F HA 0.743 5.270 4.527 0.000 0.000 0.331 461 F C 1.377 177.195 175.800 0.029 0.000 1.057 461 F CA -0.137 57.879 58.000 0.027 0.000 0.975 461 F CB 1.571 40.591 39.000 0.034 0.000 1.246 461 F HN 0.674 nan 8.300 nan 0.000 0.484 462 G N 0.941 109.868 108.800 0.211 0.000 2.168 462 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.263 462 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.263 462 G C 0.060 174.985 174.900 0.041 0.000 0.977 462 G CA 0.233 45.401 45.100 0.114 0.000 0.659 462 G HN 0.640 nan 8.290 nan 0.000 0.533 463 Q N -0.294 119.497 119.800 -0.015 0.000 2.409 463 Q HA 0.246 4.586 4.340 -0.000 0.000 0.345 463 Q C 0.878 176.763 176.000 -0.192 0.000 0.847 463 Q CA -0.332 55.381 55.803 -0.151 0.000 1.092 463 Q CB 0.574 29.149 28.738 -0.273 0.000 1.377 463 Q HN 0.277 nan 8.270 nan 0.000 0.399 464 D N 0.636 120.973 120.400 -0.104 0.000 2.116 464 D HA -0.220 4.420 4.640 -0.000 0.000 0.193 464 D C 1.625 177.846 176.300 -0.133 0.000 0.998 464 D CA 1.332 55.276 54.000 -0.094 0.000 0.836 464 D CB 0.419 41.191 40.800 -0.047 0.000 0.951 464 D HN 0.114 nan 8.370 nan 0.000 0.449 465 K N 1.258 121.576 120.400 -0.138 0.000 2.026 465 K HA -0.061 4.259 4.320 -0.000 0.000 0.208 465 K C 1.876 178.349 176.600 -0.211 0.000 1.048 465 K CA 1.586 57.794 56.287 -0.133 0.000 0.929 465 K CB -0.662 31.785 32.500 -0.090 0.000 0.713 465 K HN 0.021 nan 8.250 nan 0.000 0.439 466 A N 0.820 123.418 122.820 -0.370 0.000 1.873 466 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 466 A C 2.351 179.659 177.584 -0.460 0.000 1.193 466 A CA 2.077 53.753 52.037 -0.602 0.000 0.629 466 A CB -0.852 17.344 19.000 -1.339 0.000 0.826 466 A HN 0.366 nan 8.150 nan 0.000 0.447 467 I N -0.681 119.668 120.570 -0.367 0.000 2.226 467 I HA -0.270 3.900 4.170 -0.000 0.000 0.245 467 I C 2.538 178.555 176.117 -0.167 0.000 1.100 467 I CA 1.708 62.869 61.300 -0.232 0.000 1.374 467 I CB -0.424 37.477 38.000 -0.164 0.000 1.057 467 I HN 0.439 nan 8.210 nan 0.000 0.413 468 E N 0.772 120.886 120.200 -0.144 0.000 2.051 468 E HA -0.227 4.123 4.350 -0.000 0.000 0.192 468 E C 2.326 178.873 176.600 -0.088 0.000 0.991 468 E CA 1.421 57.765 56.400 -0.094 0.000 0.799 468 E CB -0.200 29.456 29.700 -0.073 0.000 0.748 468 E HN 0.523 nan 8.360 nan 0.000 0.449 469 A N 0.770 123.525 122.820 -0.109 0.000 1.969 469 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 469 A C 2.107 179.626 177.584 -0.107 0.000 1.169 469 A CA 0.859 52.850 52.037 -0.077 0.000 0.635 469 A CB -0.392 18.568 19.000 -0.066 0.000 0.810 469 A HN 0.231 nan 8.150 nan 0.000 0.445 470 L N 0.528 121.627 121.223 -0.207 0.000 2.056 470 L HA -0.105 4.235 4.340 -0.000 0.000 0.207 470 L C 2.645 179.416 176.870 -0.166 0.000 1.078 470 L CA 2.952 57.605 54.840 -0.312 0.000 0.749 470 L CB -0.993 40.880 42.059 -0.311 0.000 0.901 470 L HN 0.522 nan 8.230 nan 0.000 0.433 471 T N -3.655 110.837 114.554 -0.102 0.000 2.951 471 T HA -0.171 4.179 4.350 -0.000 0.000 0.268 471 T C 1.753 176.444 174.700 -0.016 0.000 1.073 471 T CA 1.139 63.211 62.100 -0.048 0.000 1.134 471 T CB -0.484 68.358 68.868 -0.044 0.000 0.884 471 T HN 0.536 nan 8.240 nan 0.000 0.479 472 E N 1.411 121.602 120.200 -0.015 0.000 2.150 472 E HA -0.024 4.326 4.350 -0.000 0.000 0.193 472 E C 2.343 178.967 176.600 0.040 0.000 0.985 472 E CA 0.873 57.278 56.400 0.008 0.000 0.814 472 E CB -0.321 29.382 29.700 0.005 0.000 0.752 472 E HN 0.647 nan 8.360 nan 0.000 0.466 473 A N 0.954 123.819 122.820 0.075 0.000 1.970 473 A HA -0.077 4.243 4.320 -0.000 0.000 0.216 473 A C 2.018 179.694 177.584 0.153 0.000 1.170 473 A CA 0.646 52.779 52.037 0.160 0.000 0.645 473 A CB -0.217 19.004 19.000 0.369 0.000 0.816 473 A HN 0.247 nan 8.150 nan 0.000 0.447 474 I N 0.213 120.854 120.570 0.119 0.000 2.233 474 I HA -0.170 4.000 4.170 -0.000 0.000 0.243 474 I C 2.170 178.323 176.117 0.060 0.000 1.093 474 I CA 1.428 62.788 61.300 0.099 0.000 1.380 474 I CB -1.276 36.764 38.000 0.066 0.000 1.067 474 I HN 0.335 nan 8.210 nan 0.000 0.413 475 K N 0.077 120.500 120.400 0.039 0.000 2.057 475 K HA -0.174 4.146 4.320 -0.000 0.000 0.207 475 K C 2.142 178.755 176.600 0.021 0.000 1.049 475 K CA 1.265 57.567 56.287 0.024 0.000 0.931 475 K CB -0.168 32.340 32.500 0.013 0.000 0.714 475 K HN 0.257 nan 8.250 nan 0.000 0.440 476 M N 0.449 120.064 119.600 0.025 0.000 2.117 476 M HA -0.169 4.311 4.480 -0.000 0.000 0.262 476 M C 2.118 178.422 176.300 0.007 0.000 1.065 476 M CA 1.727 57.035 55.300 0.013 0.000 1.114 476 M CB -0.152 32.458 32.600 0.015 0.000 1.361 476 M HN 0.186 nan 8.290 nan 0.000 0.408 477 A N -0.573 122.260 122.820 0.021 0.000 2.016 477 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 477 A C 1.966 179.559 177.584 0.015 0.000 1.162 477 A CA 1.221 53.266 52.037 0.013 0.000 0.662 477 A CB -0.438 18.579 19.000 0.028 0.000 0.812 477 A HN 0.455 nan 8.150 nan 0.000 0.450 478 R N -0.147 120.367 120.500 0.024 0.000 2.193 478 R HA 0.186 4.526 4.340 -0.000 0.000 0.213 478 R C 1.687 177.995 176.300 0.012 0.000 1.055 478 R CA 1.083 57.197 56.100 0.023 0.000 0.995 478 R CB -0.523 29.794 30.300 0.028 0.000 0.893 478 R HN 0.368 nan 8.270 nan 0.000 0.459 479 A N -0.886 121.938 122.820 0.007 0.000 2.259 479 A HA 0.324 4.644 4.320 -0.000 0.000 0.208 479 A C 1.262 178.843 177.584 -0.005 0.000 1.201 479 A CA 0.574 52.611 52.037 0.001 0.000 0.824 479 A CB -0.489 18.510 19.000 -0.001 0.000 0.838 479 A HN 0.407 nan 8.150 nan 0.000 0.485 480 G N -1.237 107.559 108.800 -0.006 0.000 2.143 480 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.249 480 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.249 480 G C -0.021 174.866 174.900 -0.022 0.000 0.981 480 G CA 0.279 45.371 45.100 -0.013 0.000 0.665 480 G HN 0.492 nan 8.290 nan 0.000 0.528 481 L N 0.518 121.726 121.223 -0.026 0.000 2.262 481 L HA 0.703 5.043 4.340 -0.000 0.000 0.288 481 L C 0.834 177.664 176.870 -0.067 0.000 1.035 481 L CA 0.008 54.822 54.840 -0.043 0.000 0.820 481 L CB 1.079 43.117 42.059 -0.036 0.000 1.204 481 L HN 0.706 nan 8.230 nan 0.000 0.424 482 G N 1.205 109.942 108.800 -0.106 0.000 2.368 482 G HA2 0.073 4.033 3.960 -0.000 0.000 0.302 482 G HA3 0.073 4.033 3.960 -0.000 0.000 0.302 482 G C -1.553 173.262 174.900 -0.143 0.000 1.329 482 G CA -0.932 44.066 45.100 -0.171 0.000 0.935 482 G HN 0.416 nan 8.290 nan 0.000 0.590 483 H N 0.186 119.238 119.070 -0.030 0.000 2.511 483 H HA 0.376 4.932 4.556 -0.000 0.000 0.346 483 H C 1.234 176.511 175.328 -0.084 0.000 1.128 483 H CA 0.177 56.204 56.048 -0.035 0.000 1.342 483 H CB 2.096 31.860 29.762 0.004 0.000 1.470 483 H HN 0.776 nan 8.280 nan 0.000 0.546 484 E N 1.950 122.127 120.200 -0.038 0.000 2.112 484 E HA -0.103 4.247 4.350 -0.000 0.000 0.190 484 E C 0.100 176.549 176.600 -0.252 0.000 0.979 484 E CA 0.384 56.650 56.400 -0.225 0.000 0.814 484 E CB 0.266 29.721 29.700 -0.408 0.000 0.762 484 E HN 0.586 nan 8.360 nan 0.000 0.460 485 H N 0.633 119.725 119.070 0.037 0.000 2.770 485 H HA 0.299 4.855 4.556 -0.000 0.000 0.315 485 H C -0.369 174.966 175.328 0.012 0.000 1.127 485 H CA 0.315 56.368 56.048 0.010 0.000 1.155 485 H CB -0.039 29.708 29.762 -0.026 0.000 1.397 485 H HN -0.015 nan 8.280 nan 0.000 0.538 486 K N 0.731 121.183 120.400 0.087 0.000 2.512 486 K HA 0.359 4.679 4.320 -0.000 0.000 0.263 486 K C -2.880 173.733 176.600 0.023 0.000 0.966 486 K CA -1.958 54.359 56.287 0.051 0.000 0.851 486 K CB 2.328 34.867 32.500 0.065 0.000 1.395 486 K HN -0.056 nan 8.250 nan 0.000 0.440 487 P HA -0.027 nan 4.420 nan 0.000 0.270 487 P C 0.822 178.106 177.300 -0.027 0.000 1.223 487 P CA -0.332 62.772 63.100 0.006 0.000 0.785 487 P CB 0.551 32.240 31.700 -0.019 0.000 0.923 488 V N 0.804 120.715 119.914 -0.006 0.000 2.278 488 V HA -0.132 3.988 4.120 -0.000 0.000 0.251 488 V C 1.278 177.359 176.094 -0.021 0.000 1.062 488 V CA 2.465 64.769 62.300 0.008 0.000 1.038 488 V CB -1.390 30.463 31.823 0.050 0.000 0.646 488 V HN 0.896 nan 8.190 nan 0.000 0.447 489 G N -1.890 106.856 108.800 -0.090 0.000 2.703 489 G HA2 0.545 4.504 3.960 -0.000 0.000 0.294 489 G HA3 0.545 4.504 3.960 -0.000 0.000 0.294 489 G C -1.397 173.096 174.900 -0.678 0.000 1.451 489 G CA -0.258 44.581 45.100 -0.435 0.000 0.869 489 G HN 0.027 nan 8.290 nan 0.000 0.516 490 S N 0.243 115.324 115.700 -1.033 0.000 2.707 490 S HA 0.709 5.179 4.470 -0.000 0.000 0.312 490 S C -1.173 172.934 174.600 -0.822 0.000 1.116 490 S CA -0.381 57.410 58.200 -0.681 0.000 1.078 490 S CB 0.348 63.293 63.200 -0.425 0.000 0.997 490 S HN 0.405 nan 8.310 nan 0.000 0.477 491 F N 2.002 121.884 119.950 -0.112 0.000 2.563 491 F HA 0.625 5.152 4.527 -0.000 0.000 0.316 491 F C -0.407 175.327 175.800 -0.110 0.000 1.076 491 F CA -1.155 56.804 58.000 -0.068 0.000 0.921 491 F CB 1.285 40.333 39.000 0.079 0.000 1.209 491 F HN 0.311 nan 8.300 nan 0.000 0.462 492 L N 3.758 125.062 121.223 0.135 0.000 2.295 492 L HA 0.485 4.825 4.340 -0.000 0.000 0.281 492 L C -1.371 175.634 176.870 0.224 0.000 1.018 492 L CA -0.303 54.558 54.840 0.036 0.000 0.841 492 L CB 0.065 42.036 42.059 -0.147 0.000 1.218 492 L HN 0.495 nan 8.230 nan 0.000 0.424 493 F N 5.016 124.936 119.950 -0.050 0.000 2.413 493 F HA 0.578 5.105 4.527 -0.000 0.000 0.359 493 F C 0.790 176.533 175.800 -0.095 0.000 1.122 493 F CA -0.699 57.273 58.000 -0.048 0.000 1.160 493 F CB 1.065 39.962 39.000 -0.172 0.000 1.146 493 F HN 0.657 nan 8.300 nan 0.000 0.514 494 A N 3.420 126.310 122.820 0.116 0.000 2.350 494 A HA 0.949 5.269 4.320 -0.000 0.000 0.324 494 A C -0.078 177.644 177.584 0.230 0.000 1.118 494 A CA -0.215 51.894 52.037 0.121 0.000 0.783 494 A CB 1.626 20.653 19.000 0.044 0.000 1.236 494 A HN 0.932 nan 8.150 nan 0.000 0.457 495 G N 0.783 109.688 108.800 0.175 0.000 2.337 495 G HA2 0.482 4.442 3.960 -0.000 0.000 0.298 495 G HA3 0.482 4.442 3.960 -0.000 0.000 0.298 495 G C -3.609 171.317 174.900 0.045 0.000 1.335 495 G CA -0.601 44.587 45.100 0.147 0.000 0.875 495 G HN 0.582 nan 8.290 nan 0.000 0.579 496 P HA 0.365 nan 4.420 nan 0.000 0.274 496 P C 0.208 177.502 177.300 -0.010 0.000 1.260 496 P CA -0.026 63.041 63.100 -0.055 0.000 0.793 496 P CB 0.361 31.921 31.700 -0.233 0.000 1.048 497 T N 0.704 115.264 114.554 0.009 0.000 2.870 497 T HA 0.378 4.728 4.350 -0.000 0.000 0.300 497 T C 0.981 175.691 174.700 0.015 0.000 0.989 497 T CA 1.192 63.296 62.100 0.006 0.000 1.139 497 T CB -0.695 68.174 68.868 0.002 0.000 0.920 497 T HN 0.823 nan 8.240 nan 0.000 0.537 498 G N 2.072 110.883 108.800 0.018 0.000 2.298 498 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.287 498 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.287 498 G C 0.579 175.545 174.900 0.109 0.000 1.075 498 G CA 0.195 45.325 45.100 0.051 0.000 0.960 498 G HN 1.200 nan 8.290 nan 0.000 0.502 499 V N -3.967 116.003 119.914 0.092 0.000 3.556 499 V HA 0.725 4.845 4.120 -0.000 0.000 0.287 499 V C 1.582 177.780 176.094 0.173 0.000 1.422 499 V CA 1.114 63.511 62.300 0.161 0.000 1.038 499 V CB 0.458 32.383 31.823 0.171 0.000 0.850 499 V HN 2.168 nan 8.190 nan 0.000 0.437 500 G N 0.688 109.534 108.800 0.078 0.000 2.198 500 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.156 500 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.156 500 G C 0.605 175.479 174.900 -0.043 0.000 1.012 500 G CA 0.216 45.368 45.100 0.086 0.000 0.692 500 G HN 0.410 nan 8.290 nan 0.000 0.492 501 K N 0.042 120.228 120.400 -0.356 0.000 2.002 501 K HA -0.023 4.297 4.320 -0.000 0.000 0.209 501 K C 2.551 179.108 176.600 -0.072 0.000 1.048 501 K CA 1.920 57.875 56.287 -0.553 0.000 0.930 501 K CB -0.265 31.886 32.500 -0.582 0.000 0.714 501 K HN 0.281 nan 8.250 nan 0.000 0.438 502 T N 0.895 115.416 114.554 -0.054 0.000 2.777 502 T HA -0.142 4.208 4.350 -0.000 0.000 0.266 502 T C 1.767 176.474 174.700 0.013 0.000 1.040 502 T CA 1.461 63.553 62.100 -0.013 0.000 1.141 502 T CB -0.173 68.684 68.868 -0.018 0.000 0.868 502 T HN 0.245 nan 8.240 nan 0.000 0.444 503 E N 1.072 121.280 120.200 0.013 0.000 2.085 503 E HA -0.115 4.235 4.350 -0.000 0.000 0.194 503 E C 2.098 178.715 176.600 0.029 0.000 0.994 503 E CA 0.957 57.363 56.400 0.011 0.000 0.801 503 E CB -0.717 28.983 29.700 0.001 0.000 0.743 503 E HN 0.215 nan 8.360 nan 0.000 0.453 504 V N 0.380 120.346 119.914 0.087 0.000 2.332 504 V HA -0.291 3.829 4.120 -0.000 0.000 0.248 504 V C 2.615 178.797 176.094 0.147 0.000 1.055 504 V CA 2.361 64.744 62.300 0.139 0.000 1.038 504 V CB -0.950 31.044 31.823 0.285 0.000 0.651 504 V HN 0.672 nan 8.190 nan 0.000 0.450 505 T N -2.697 111.954 114.554 0.162 0.000 2.942 505 T HA -0.090 4.260 4.350 -0.000 0.000 0.265 505 T C 1.783 176.495 174.700 0.021 0.000 1.062 505 T CA 1.547 63.695 62.100 0.080 0.000 1.139 505 T CB -0.073 68.782 68.868 -0.021 0.000 0.883 505 T HN 0.212 nan 8.240 nan 0.000 0.468 506 V N 1.548 121.468 119.914 0.009 0.000 2.358 506 V HA -0.090 4.030 4.120 -0.000 0.000 0.246 506 V C 3.026 179.112 176.094 -0.013 0.000 1.047 506 V CA 1.577 63.869 62.300 -0.013 0.000 1.035 506 V CB -0.582 31.230 31.823 -0.019 0.000 0.658 506 V HN 0.440 nan 8.190 nan 0.000 0.452 507 Q N -0.707 119.088 119.800 -0.008 0.000 2.172 507 Q HA -0.080 4.260 4.340 -0.000 0.000 0.200 507 Q C 2.137 178.133 176.000 -0.008 0.000 0.964 507 Q CA 1.106 56.898 55.803 -0.018 0.000 0.855 507 Q CB -0.546 28.172 28.738 -0.032 0.000 0.918 507 Q HN 0.567 nan 8.270 nan 0.000 0.444 508 L N 1.071 122.301 121.223 0.012 0.000 2.046 508 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 508 L C 2.216 179.091 176.870 0.009 0.000 1.077 508 L CA 2.204 57.054 54.840 0.016 0.000 0.747 508 L CB -0.768 41.315 42.059 0.040 0.000 0.896 508 L HN 0.221 nan 8.230 nan 0.000 0.432 509 S N -1.333 114.367 115.700 0.001 0.000 2.402 509 S HA -0.175 4.295 4.470 -0.000 0.000 0.229 509 S C 1.994 176.586 174.600 -0.014 0.000 1.021 509 S CA 1.019 59.215 58.200 -0.007 0.000 0.974 509 S CB -0.544 62.642 63.200 -0.022 0.000 0.800 509 S HN 0.538 nan 8.310 nan 0.000 0.484 510 K N 1.320 121.709 120.400 -0.018 0.000 2.167 510 K HA 0.226 4.546 4.320 -0.000 0.000 0.203 510 K C 2.437 179.027 176.600 -0.016 0.000 1.052 510 K CA 0.910 57.184 56.287 -0.022 0.000 0.956 510 K CB -0.371 32.113 32.500 -0.026 0.000 0.735 510 K HN 0.491 nan 8.250 nan 0.000 0.451 511 A N 1.014 123.826 122.820 -0.012 0.000 2.014 511 A HA -0.031 4.289 4.320 -0.000 0.000 0.218 511 A C 1.908 179.489 177.584 -0.004 0.000 1.163 511 A CA 0.970 53.001 52.037 -0.010 0.000 0.652 511 A CB -0.268 18.726 19.000 -0.010 0.000 0.808 511 A HN 0.141 nan 8.150 nan 0.000 0.449 512 L N -1.650 119.574 121.223 0.002 0.000 2.477 512 L HA 0.194 4.534 4.340 -0.000 0.000 0.220 512 L C 1.607 178.480 176.870 0.005 0.000 1.106 512 L CA 0.591 55.437 54.840 0.010 0.000 0.851 512 L CB -0.116 41.958 42.059 0.025 0.000 0.994 512 L HN 0.555 nan 8.230 nan 0.000 0.462 513 G N 1.739 110.536 108.800 -0.005 0.000 2.160 513 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.244 513 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.244 513 G C 0.147 175.041 174.900 -0.011 0.000 1.022 513 G CA 0.504 45.597 45.100 -0.012 0.000 0.741 513 G HN 0.432 nan 8.290 nan 0.000 0.508 514 I N -4.091 116.476 120.570 -0.005 0.000 2.910 514 I HA 0.790 4.960 4.170 -0.000 0.000 0.310 514 I C 0.197 176.288 176.117 -0.044 0.000 1.043 514 I CA -1.498 59.802 61.300 0.001 0.000 1.053 514 I CB 1.463 39.492 38.000 0.048 0.000 1.242 514 I HN -0.136 nan 8.210 nan 0.000 0.452 515 E N 1.855 122.003 120.200 -0.087 0.000 2.392 515 E HA 0.241 4.591 4.350 -0.000 0.000 0.259 515 E C -1.121 175.395 176.600 -0.140 0.000 1.108 515 E CA -0.372 55.910 56.400 -0.197 0.000 0.916 515 E CB 1.843 31.246 29.700 -0.495 0.000 0.989 515 E HN 0.448 nan 8.360 nan 0.000 0.432 516 L N 3.699 124.830 121.223 -0.153 0.000 2.298 516 L HA 0.306 4.646 4.340 -0.000 0.000 0.284 516 L C -1.188 175.600 176.870 -0.136 0.000 1.013 516 L CA -0.182 54.591 54.840 -0.111 0.000 0.824 516 L CB 0.591 42.596 42.059 -0.091 0.000 1.221 516 L HN 0.310 nan 8.230 nan 0.000 0.418 517 L N 5.809 126.971 121.223 -0.101 0.000 2.272 517 L HA 0.603 4.943 4.340 -0.000 0.000 0.289 517 L C -0.042 176.722 176.870 -0.177 0.000 1.032 517 L CA -0.469 54.294 54.840 -0.128 0.000 0.810 517 L CB 1.281 43.352 42.059 0.020 0.000 1.205 517 L HN 0.629 nan 8.230 nan 0.000 0.422 518 R N 3.217 123.484 120.500 -0.388 0.000 2.599 518 R HA 0.683 5.023 4.340 -0.000 0.000 0.295 518 R C -1.794 174.130 176.300 -0.628 0.000 0.963 518 R CA -0.497 55.406 56.100 -0.328 0.000 0.883 518 R CB 1.555 31.735 30.300 -0.199 0.000 1.171 518 R HN 0.383 nan 8.270 nan 0.000 0.450 519 F N 1.489 121.429 119.950 -0.017 0.000 2.569 519 F HA 0.239 4.766 4.527 -0.000 0.000 0.312 519 F C -0.212 175.598 175.800 0.018 0.000 1.109 519 F CA -0.875 57.125 58.000 0.000 0.000 0.919 519 F CB 2.069 41.018 39.000 -0.084 0.000 1.211 519 F HN 0.354 nan 8.300 nan 0.000 0.446 520 D N 3.576 124.133 120.400 0.262 0.000 2.274 520 D HA 0.213 4.853 4.640 -0.000 0.000 0.239 520 D C 0.704 177.149 176.300 0.241 0.000 1.104 520 D CA -0.250 53.855 54.000 0.176 0.000 0.840 520 D CB 1.212 42.078 40.800 0.111 0.000 1.100 520 D HN 0.385 nan 8.370 nan 0.000 0.477 521 M N 2.092 121.781 119.600 0.148 0.000 2.557 521 M HA -0.091 4.389 4.480 -0.000 0.000 0.259 521 M C 1.783 178.148 176.300 0.108 0.000 1.086 521 M CA 0.457 55.843 55.300 0.143 0.000 1.096 521 M CB -0.953 31.676 32.600 0.049 0.000 1.424 521 M HN 0.386 nan 8.290 nan 0.000 0.488 522 S N -0.416 115.320 115.700 0.060 0.000 2.561 522 S HA -0.002 4.468 4.470 -0.000 0.000 0.225 522 S C 1.190 175.755 174.600 -0.058 0.000 0.977 522 S CA 0.506 58.710 58.200 0.008 0.000 0.926 522 S CB -0.096 63.106 63.200 0.005 0.000 0.769 522 S HN 0.350 nan 8.310 nan 0.000 0.533 523 E N 0.182 120.312 120.200 -0.115 0.000 2.481 523 E HA 0.199 4.549 4.350 -0.000 0.000 0.198 523 E C -0.651 175.312 176.600 -1.062 0.000 1.027 523 E CA 0.129 56.256 56.400 -0.454 0.000 0.900 523 E CB 0.057 29.534 29.700 -0.372 0.000 0.993 523 E HN 0.765 nan 8.360 nan 0.000 0.482 524 Y N -0.367 119.736 120.300 -0.330 0.000 2.696 524 Y HA 0.285 4.835 4.550 -0.000 0.000 0.255 524 Y C 1.421 177.319 175.900 -0.004 0.000 1.103 524 Y CA -0.069 57.869 58.100 -0.269 0.000 1.126 524 Y CB 0.232 38.611 38.460 -0.135 0.000 1.197 524 Y HN -0.059 nan 8.280 nan 0.000 0.574 525 M N -0.772 118.899 119.600 0.119 0.000 2.595 525 M HA 0.026 4.506 4.480 -0.000 0.000 0.248 525 M C 1.301 177.820 176.300 0.366 0.000 1.119 525 M CA 1.097 56.551 55.300 0.256 0.000 1.079 525 M CB 0.289 33.001 32.600 0.185 0.000 1.472 525 M HN 0.497 nan 8.290 nan 0.000 0.501 526 E N 1.902 122.318 120.200 0.360 0.000 4.458 526 E HA -0.299 4.051 4.350 -0.000 0.000 0.172 526 E C 0.365 177.006 176.600 0.068 0.000 1.192 526 E CA 2.148 58.663 56.400 0.192 0.000 2.456 526 E CB -0.597 28.961 29.700 -0.237 0.000 1.755 526 E HN 0.702 nan 8.360 nan 0.000 0.473 527 R N -0.649 119.890 120.500 0.064 0.000 2.687 527 R HA 0.492 4.832 4.340 -0.000 0.000 0.264 527 R C -0.257 175.844 176.300 -0.331 0.000 1.715 527 R CA -0.156 55.872 56.100 -0.119 0.000 1.633 527 R CB 0.138 30.331 30.300 -0.179 0.000 1.353 527 R HN 0.165 nan 8.270 nan 0.000 0.653 528 H N -0.767 118.335 119.070 0.052 0.000 3.207 528 H HA 0.217 4.773 4.556 -0.000 0.000 0.237 528 H C -0.318 175.029 175.328 0.032 0.000 0.959 528 H CA 0.352 56.425 56.048 0.041 0.000 1.091 528 H CB 1.605 31.397 29.762 0.050 0.000 1.447 528 H HN 0.267 nan 8.280 nan 0.000 0.477 529 T N 0.928 115.569 114.554 0.145 0.000 2.743 529 T HA 0.399 4.749 4.350 -0.000 0.000 0.292 529 T C 0.316 175.042 174.700 0.044 0.000 0.972 529 T CA -0.032 62.121 62.100 0.088 0.000 0.967 529 T CB 1.826 70.748 68.868 0.090 0.000 0.926 529 T HN 0.154 nan 8.240 nan 0.000 0.459 530 V N 2.591 122.517 119.914 0.021 0.000 3.062 530 V HA 0.102 4.222 4.120 -0.000 0.000 0.231 530 V C 1.957 178.049 176.094 -0.003 0.000 1.632 530 V CA 0.891 63.189 62.300 -0.003 0.000 1.115 530 V CB 0.062 31.868 31.823 -0.028 0.000 1.041 530 V HN 0.728 nan 8.190 nan 0.000 0.443 531 S N 0.226 115.928 115.700 0.002 0.000 2.474 531 S HA -0.037 4.433 4.470 -0.000 0.000 0.235 531 S C 1.600 176.203 174.600 0.004 0.000 0.997 531 S CA 1.729 59.930 58.200 0.001 0.000 0.949 531 S CB -0.259 62.943 63.200 0.004 0.000 0.766 531 S HN 0.681 nan 8.310 nan 0.000 0.517 532 R N -0.124 120.381 120.500 0.008 0.000 1.583 532 R HA 0.361 4.701 4.340 -0.000 0.000 0.123 532 R C 1.592 177.896 176.300 0.007 0.000 1.213 532 R CA 0.777 56.883 56.100 0.009 0.000 1.768 532 R CB -0.351 29.958 30.300 0.015 0.000 0.787 532 R HN 0.255 nan 8.270 nan 0.000 0.619 533 L N -0.655 120.573 121.223 0.009 0.000 2.860 533 L HA 0.332 4.672 4.340 -0.000 0.000 0.251 533 L C 0.097 176.972 176.870 0.009 0.000 1.041 533 L CA -0.172 54.672 54.840 0.007 0.000 0.985 533 L CB 0.749 42.813 42.059 0.008 0.000 1.656 533 L HN 0.212 nan 8.230 nan 0.000 0.526 534 I N 1.833 122.413 120.570 0.016 0.000 2.372 534 I HA 0.083 4.253 4.170 -0.000 0.000 0.298 534 I C 0.534 176.660 176.117 0.016 0.000 1.137 534 I CA 0.297 61.611 61.300 0.023 0.000 1.314 534 I CB 0.203 38.225 38.000 0.036 0.000 1.444 534 I HN 0.144 nan 8.210 nan 0.000 0.541 535 G N 5.241 114.038 108.800 -0.005 0.000 5.001 535 G HA2 0.546 4.506 3.960 -0.000 0.000 0.304 535 G HA3 0.546 4.506 3.960 -0.000 0.000 0.304 535 G C 0.057 174.915 174.900 -0.071 0.000 1.400 535 G CA -0.129 44.951 45.100 -0.032 0.000 1.029 535 G HN 0.658 nan 8.290 nan 0.000 0.584 536 A N 1.504 124.271 122.820 -0.088 0.000 3.159 536 A HA 0.704 5.024 4.320 -0.000 0.000 0.330 536 A C -2.053 175.316 177.584 -0.359 0.000 1.032 536 A CA -1.153 50.787 52.037 -0.161 0.000 0.841 536 A CB 1.206 20.154 19.000 -0.087 0.000 1.093 536 A HN 0.145 nan 8.150 nan 0.000 0.478 537 P HA 0.253 nan 4.420 nan 0.000 0.269 537 P C -2.577 174.143 177.300 -0.966 0.000 1.478 537 P CA -0.932 61.453 63.100 -1.192 0.000 1.045 537 P CB -0.411 30.801 31.700 -0.814 0.000 1.512 538 P HA 0.027 nan 4.420 nan 0.000 0.255 538 P C 1.318 178.369 177.300 -0.415 0.000 1.173 538 P CA 1.892 64.750 63.100 -0.402 0.000 0.780 538 P CB -0.332 31.198 31.700 -0.283 0.000 0.758 539 G N 2.964 111.582 108.800 -0.304 0.000 4.039 539 G HA2 -0.432 3.528 3.960 -0.000 0.000 0.220 539 G HA3 -0.432 3.528 3.960 -0.000 0.000 0.220 539 G C 0.961 175.808 174.900 -0.088 0.000 1.391 539 G CA 0.568 45.563 45.100 -0.174 0.000 0.920 539 G HN 0.531 nan 8.290 nan 0.000 0.599 540 Y N -1.334 118.848 120.300 -0.196 0.000 2.777 540 Y HA -0.425 4.125 4.550 -0.000 0.000 0.489 540 Y C 2.627 178.653 175.900 0.210 0.000 1.088 540 Y CA 2.036 60.089 58.100 -0.078 0.000 2.968 540 Y CB -1.601 36.795 38.460 -0.107 0.000 0.892 540 Y HN 0.562 nan 8.280 nan 0.000 0.556 541 V N 0.193 120.280 119.914 0.288 0.000 2.759 541 V HA -0.243 3.877 4.120 -0.000 0.000 0.256 541 V C 2.305 178.511 176.094 0.186 0.000 1.080 541 V CA 2.001 64.425 62.300 0.208 0.000 1.101 541 V CB -0.921 30.981 31.823 0.131 0.000 0.698 541 V HN 0.691 nan 8.190 nan 0.000 0.477 542 G N -0.822 108.087 108.800 0.182 0.000 2.422 542 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.218 542 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.218 542 G C 1.393 176.510 174.900 0.361 0.000 1.140 542 G CA 0.396 45.611 45.100 0.192 0.000 0.775 542 G HN 0.413 nan 8.290 nan 0.000 0.545 543 F N 1.447 121.513 119.950 0.193 0.000 2.206 543 F HA 0.078 4.605 4.527 -0.000 0.000 0.298 543 F C 2.283 178.173 175.800 0.150 0.000 1.090 543 F CA 0.383 58.516 58.000 0.221 0.000 1.323 543 F CB -0.328 38.883 39.000 0.351 0.000 1.028 543 F HN 0.087 nan 8.300 nan 0.000 0.492 544 D N -0.589 119.971 120.400 0.267 0.000 2.097 544 D HA -0.121 4.519 4.640 -0.000 0.000 0.197 544 D C 2.303 178.590 176.300 -0.023 0.000 0.984 544 D CA 0.947 54.903 54.000 -0.073 0.000 0.826 544 D CB -0.096 40.555 40.800 -0.249 0.000 0.973 544 D HN 0.169 nan 8.370 nan 0.000 0.460 545 Q N 0.123 119.952 119.800 0.047 0.000 1.896 545 Q HA 0.002 4.342 4.340 -0.000 0.000 0.205 545 Q C 2.337 178.373 176.000 0.060 0.000 0.978 545 Q CA 1.271 57.101 55.803 0.046 0.000 0.850 545 Q CB -1.196 27.576 28.738 0.056 0.000 0.908 545 Q HN 0.286 nan 8.270 nan 0.000 0.431 546 G N -0.402 108.454 108.800 0.093 0.000 2.659 546 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.219 546 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.219 546 G C 0.868 175.801 174.900 0.055 0.000 1.105 546 G CA 1.574 46.725 45.100 0.085 0.000 0.727 546 G HN 0.533 nan 8.290 nan 0.000 0.583 547 G N -0.860 107.964 108.800 0.040 0.000 3.394 547 G HA2 0.130 4.090 3.960 -0.000 0.000 0.132 547 G HA3 0.130 4.090 3.960 -0.000 0.000 0.132 547 G C 1.160 176.061 174.900 0.002 0.000 1.220 547 G CA 0.159 45.259 45.100 0.001 0.000 1.421 547 G HN 0.169 nan 8.290 nan 0.000 0.711 548 L N 0.571 121.793 121.223 -0.001 0.000 2.059 548 L HA -0.261 4.079 4.340 -0.000 0.000 0.242 548 L C 2.747 179.657 176.870 0.066 0.000 1.107 548 L CA 2.217 57.097 54.840 0.067 0.000 0.836 548 L CB -0.980 41.170 42.059 0.151 0.000 0.933 548 L HN 0.363 nan 8.230 nan 0.000 0.446 549 L N -0.771 120.356 121.223 -0.160 0.000 2.021 549 L HA -0.229 4.111 4.340 -0.000 0.000 0.215 549 L C 2.476 179.338 176.870 -0.012 0.000 1.074 549 L CA 2.575 57.273 54.840 -0.237 0.000 0.760 549 L CB -0.882 40.940 42.059 -0.394 0.000 0.889 549 L HN 0.293 nan 8.230 nan 0.000 0.433 550 T N -1.173 113.381 114.554 0.000 0.000 2.812 550 T HA -0.152 4.198 4.350 -0.000 0.000 0.264 550 T C 1.507 176.195 174.700 -0.020 0.000 1.042 550 T CA 1.257 63.361 62.100 0.006 0.000 1.140 550 T CB -0.323 68.563 68.868 0.030 0.000 0.870 550 T HN 0.507 nan 8.240 nan 0.000 0.445 551 D N 1.445 121.846 120.400 0.003 0.000 2.123 551 D HA -0.068 4.572 4.640 -0.000 0.000 0.196 551 D C 2.181 178.478 176.300 -0.004 0.000 0.992 551 D CA 1.358 55.356 54.000 -0.004 0.000 0.833 551 D CB -0.306 40.498 40.800 0.007 0.000 0.954 551 D HN 0.344 nan 8.370 nan 0.000 0.455 552 A N -0.322 122.533 122.820 0.058 0.000 1.969 552 A HA -0.056 4.264 4.320 -0.000 0.000 0.218 552 A C 2.476 180.086 177.584 0.044 0.000 1.169 552 A CA 1.404 53.504 52.037 0.104 0.000 0.635 552 A CB -0.523 18.622 19.000 0.241 0.000 0.810 552 A HN 0.229 nan 8.150 nan 0.000 0.445 553 V N -0.087 119.793 119.914 -0.055 0.000 2.591 553 V HA -0.141 3.979 4.120 -0.000 0.000 0.249 553 V C 2.297 178.278 176.094 -0.188 0.000 1.053 553 V CA 1.452 63.627 62.300 -0.208 0.000 1.068 553 V CB -0.471 31.003 31.823 -0.581 0.000 0.689 553 V HN 0.550 nan 8.190 nan 0.000 0.462 554 I N -0.265 120.220 120.570 -0.143 0.000 2.353 554 I HA -0.198 3.972 4.170 -0.000 0.000 0.248 554 I C 2.505 178.548 176.117 -0.123 0.000 1.119 554 I CA 1.436 62.668 61.300 -0.114 0.000 1.417 554 I CB -0.259 37.695 38.000 -0.077 0.000 1.078 554 I HN 0.223 nan 8.210 nan 0.000 0.421 555 K N -0.126 120.175 120.400 -0.166 0.000 2.155 555 K HA -0.081 4.239 4.320 -0.000 0.000 0.203 555 K C 0.168 176.466 176.600 -0.503 0.000 1.052 555 K CA 0.971 57.065 56.287 -0.321 0.000 0.948 555 K CB 0.247 32.525 32.500 -0.370 0.000 0.728 555 K HN 0.312 nan 8.250 nan 0.000 0.448 556 H N -0.576 118.474 119.070 -0.033 0.000 2.448 556 H HA 0.170 4.726 4.556 -0.000 0.000 0.237 556 H C -2.276 173.028 175.328 -0.040 0.000 1.391 556 H CA -1.945 54.092 56.048 -0.017 0.000 1.477 556 H CB 1.516 31.270 29.762 -0.014 0.000 1.520 556 H HN 0.067 nan 8.280 nan 0.000 0.502 557 P HA -0.135 nan 4.420 nan 0.000 0.216 557 P C 0.336 177.577 177.300 -0.098 0.000 1.150 557 P CA 1.362 64.431 63.100 -0.051 0.000 0.837 557 P CB 0.277 31.971 31.700 -0.010 0.000 0.786 558 H N -0.240 118.840 119.070 0.017 0.000 2.761 558 H HA 0.598 5.154 4.556 -0.000 0.000 0.284 558 H C 0.058 175.396 175.328 0.017 0.000 1.105 558 H CA -0.345 55.713 56.048 0.016 0.000 1.352 558 H CB 0.633 30.405 29.762 0.017 0.000 1.423 558 H HN 0.070 nan 8.280 nan 0.000 0.464 559 A N 3.007 125.866 122.820 0.065 0.000 2.586 559 A HA 0.454 4.774 4.320 -0.000 0.000 0.290 559 A C -1.311 176.290 177.584 0.030 0.000 1.086 559 A CA -0.606 51.452 52.037 0.035 0.000 0.665 559 A CB 1.222 20.236 19.000 0.022 0.000 1.279 559 A HN 0.349 nan 8.150 nan 0.000 0.423 560 V N 1.134 121.057 119.914 0.014 0.000 2.384 560 V HA 0.484 4.604 4.120 -0.000 0.000 0.287 560 V C -0.786 175.317 176.094 0.016 0.000 1.020 560 V CA -0.338 61.974 62.300 0.020 0.000 0.850 560 V CB 1.133 32.959 31.823 0.005 0.000 0.987 560 V HN 0.775 nan 8.190 nan 0.000 0.436 561 L N 7.118 128.367 121.223 0.043 0.000 2.264 561 L HA 0.588 4.928 4.340 -0.000 0.000 0.287 561 L C -0.719 176.172 176.870 0.035 0.000 1.039 561 L CA -0.146 54.739 54.840 0.074 0.000 0.829 561 L CB 1.119 43.266 42.059 0.147 0.000 1.211 561 L HN 0.606 nan 8.230 nan 0.000 0.427 562 L N 6.489 127.721 121.223 0.015 0.000 2.282 562 L HA 0.536 4.876 4.340 -0.000 0.000 0.288 562 L C -1.238 175.646 176.870 0.024 0.000 1.033 562 L CA -0.096 54.727 54.840 -0.028 0.000 0.807 562 L CB 1.073 43.096 42.059 -0.060 0.000 1.209 562 L HN 0.550 nan 8.230 nan 0.000 0.423 563 L N 5.424 126.645 121.223 -0.003 0.000 2.324 563 L HA 0.419 4.759 4.340 -0.000 0.000 0.274 563 L C -0.556 176.312 176.870 -0.003 0.000 1.012 563 L CA -0.715 54.137 54.840 0.021 0.000 0.859 563 L CB 1.106 43.150 42.059 -0.025 0.000 1.224 563 L HN 0.564 nan 8.230 nan 0.000 0.429 564 D N 3.620 124.033 120.400 0.021 0.000 2.399 564 D HA 0.020 4.660 4.640 -0.000 0.000 0.241 564 D C 0.343 176.662 176.300 0.031 0.000 1.133 564 D CA 0.070 54.079 54.000 0.016 0.000 0.890 564 D CB 0.918 41.731 40.800 0.021 0.000 1.201 564 D HN 0.509 nan 8.370 nan 0.000 0.432 565 E N 0.444 120.666 120.200 0.035 0.000 2.183 565 E HA -0.257 4.093 4.350 -0.000 0.000 0.196 565 E C 0.869 177.515 176.600 0.077 0.000 1.364 565 E CA -0.253 56.182 56.400 0.059 0.000 0.700 565 E CB -1.069 28.657 29.700 0.044 0.000 1.106 565 E HN 0.414 nan 8.360 nan 0.000 0.347 566 I N 1.197 121.821 120.570 0.090 0.000 2.399 566 I HA -0.286 3.884 4.170 -0.000 0.000 0.254 566 I C 2.146 178.402 176.117 0.230 0.000 1.146 566 I CA 2.329 63.678 61.300 0.081 0.000 1.412 566 I CB -0.021 38.012 38.000 0.054 0.000 1.076 566 I HN 0.312 nan 8.210 nan 0.000 0.432 567 E N -0.057 120.312 120.200 0.280 0.000 2.268 567 E HA -0.193 4.157 4.350 -0.000 0.000 0.195 567 E C 1.825 178.466 176.600 0.068 0.000 0.995 567 E CA 1.193 57.683 56.400 0.149 0.000 0.836 567 E CB -0.498 29.215 29.700 0.022 0.000 0.763 567 E HN 0.439 nan 8.360 nan 0.000 0.491 568 K N 0.564 121.006 120.400 0.069 0.000 2.426 568 K HA 0.270 4.590 4.320 -0.000 0.000 0.193 568 K C 0.443 177.090 176.600 0.078 0.000 1.028 568 K CA 0.225 56.525 56.287 0.022 0.000 1.047 568 K CB 0.393 32.890 32.500 -0.005 0.000 0.821 568 K HN 0.158 nan 8.250 nan 0.000 0.513 569 A N 1.435 124.337 122.820 0.136 0.000 2.445 569 A HA 0.017 4.337 4.320 -0.000 0.000 0.242 569 A C -0.466 177.283 177.584 0.275 0.000 1.075 569 A CA -0.083 52.044 52.037 0.150 0.000 0.777 569 A CB -0.043 18.913 19.000 -0.073 0.000 1.013 569 A HN 0.343 nan 8.150 nan 0.000 0.493 570 H N 2.225 121.402 119.070 0.177 0.000 2.732 570 H HA 0.291 4.847 4.556 -0.000 0.000 0.351 570 H C -1.815 173.661 175.328 0.247 0.000 1.090 570 H CA -1.054 55.109 56.048 0.192 0.000 1.431 570 H CB 0.892 30.759 29.762 0.175 0.000 1.447 570 H HN 0.315 nan 8.280 nan 0.000 0.582 571 P HA -0.192 nan 4.420 nan 0.000 0.217 571 P C 0.700 178.033 177.300 0.055 0.000 1.148 571 P CA 1.529 64.558 63.100 -0.118 0.000 0.834 571 P CB 0.284 31.792 31.700 -0.321 0.000 0.783 572 D N -1.548 118.934 120.400 0.136 0.000 2.178 572 D HA -0.087 4.553 4.640 -0.000 0.000 0.202 572 D C 1.886 178.282 176.300 0.160 0.000 0.974 572 D CA 0.732 54.867 54.000 0.225 0.000 0.841 572 D CB -0.545 40.465 40.800 0.350 0.000 0.953 572 D HN 0.003 nan 8.370 nan 0.000 0.478 573 V N 0.144 120.155 119.914 0.160 0.000 2.379 573 V HA -0.182 3.938 4.120 -0.000 0.000 0.245 573 V C 1.998 178.061 176.094 -0.053 0.000 1.044 573 V CA 1.077 63.380 62.300 0.005 0.000 1.036 573 V CB -0.563 31.221 31.823 -0.066 0.000 0.664 573 V HN 0.092 nan 8.190 nan 0.000 0.453 574 F N 1.247 121.188 119.950 -0.015 0.000 2.126 574 F HA -0.178 4.349 4.527 -0.000 0.000 0.299 574 F C 2.235 178.046 175.800 0.020 0.000 1.096 574 F CA 2.228 60.221 58.000 -0.012 0.000 1.255 574 F CB -0.754 38.209 39.000 -0.063 0.000 0.997 574 F HN 0.206 nan 8.300 nan 0.000 0.479 575 N N 0.284 119.097 118.700 0.188 0.000 2.104 575 N HA -0.180 4.560 4.740 -0.000 0.000 0.190 575 N C 1.900 177.437 175.510 0.046 0.000 1.024 575 N CA 1.317 54.430 53.050 0.104 0.000 0.853 575 N CB -0.253 38.279 38.487 0.075 0.000 1.008 575 N HN 0.191 nan 8.380 nan 0.000 0.424 576 I N 0.689 121.268 120.570 0.015 0.000 2.226 576 I HA -0.244 3.926 4.170 -0.000 0.000 0.245 576 I C 1.816 177.871 176.117 -0.103 0.000 1.100 576 I CA 0.973 62.244 61.300 -0.049 0.000 1.374 576 I CB -0.131 37.830 38.000 -0.065 0.000 1.057 576 I HN 0.201 nan 8.210 nan 0.000 0.413 577 L N 0.022 121.196 121.223 -0.081 0.000 2.141 577 L HA -0.195 4.145 4.340 -0.000 0.000 0.209 577 L C 2.442 179.284 176.870 -0.046 0.000 1.094 577 L CA 1.044 55.825 54.840 -0.098 0.000 0.763 577 L CB -0.364 41.659 42.059 -0.061 0.000 0.908 577 L HN 0.295 nan 8.230 nan 0.000 0.437 578 L N -0.873 120.372 121.223 0.036 0.000 2.141 578 L HA -0.217 4.123 4.340 -0.000 0.000 0.209 578 L C 2.533 179.378 176.870 -0.040 0.000 1.094 578 L CA 1.187 56.046 54.840 0.031 0.000 0.763 578 L CB -0.394 41.715 42.059 0.082 0.000 0.908 578 L HN 0.348 nan 8.230 nan 0.000 0.437 579 Q N -0.665 119.097 119.800 -0.063 0.000 2.083 579 Q HA -0.143 4.197 4.340 -0.000 0.000 0.198 579 Q C 2.372 178.283 176.000 -0.148 0.000 0.969 579 Q CA 1.168 56.919 55.803 -0.086 0.000 0.838 579 Q CB 0.004 28.697 28.738 -0.075 0.000 0.900 579 Q HN 0.287 nan 8.270 nan 0.000 0.436 580 V N 0.731 120.494 119.914 -0.251 0.000 2.287 580 V HA -0.295 3.825 4.120 -0.000 0.000 0.248 580 V C 2.087 178.031 176.094 -0.250 0.000 1.053 580 V CA 1.798 63.849 62.300 -0.415 0.000 1.027 580 V CB -0.397 30.996 31.823 -0.716 0.000 0.646 580 V HN 0.463 nan 8.190 nan 0.000 0.447 581 M N -0.790 118.697 119.600 -0.188 0.000 2.476 581 M HA -0.108 4.371 4.480 -0.000 0.000 0.262 581 M C 1.537 177.781 176.300 -0.092 0.000 1.079 581 M CA 1.239 56.453 55.300 -0.144 0.000 1.104 581 M CB -0.341 32.164 32.600 -0.158 0.000 1.409 581 M HN 0.358 nan 8.290 nan 0.000 0.467 582 D N 0.044 120.397 120.400 -0.079 0.000 2.414 582 D HA 0.007 4.647 4.640 -0.000 0.000 0.237 582 D C 1.536 177.812 176.300 -0.039 0.000 0.975 582 D CA 0.981 54.949 54.000 -0.053 0.000 0.917 582 D CB -0.119 40.650 40.800 -0.051 0.000 1.061 582 D HN 0.295 nan 8.370 nan 0.000 0.480 583 N N -0.165 118.508 118.700 -0.045 0.000 2.388 583 N HA 0.074 4.814 4.740 -0.000 0.000 0.176 583 N C 1.321 176.848 175.510 0.029 0.000 1.062 583 N CA 0.933 53.972 53.050 -0.019 0.000 0.895 583 N CB 0.975 39.442 38.487 -0.033 0.000 1.018 583 N HN 0.207 nan 8.380 nan 0.000 0.456 584 G N 0.821 109.620 108.800 -0.001 0.000 2.160 584 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.251 584 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.251 584 G C -0.205 174.788 174.900 0.156 0.000 1.008 584 G CA 0.916 46.052 45.100 0.061 0.000 0.724 584 G HN 0.415 nan 8.290 nan 0.000 0.514 585 T N -0.591 114.020 114.554 0.095 0.000 2.894 585 T HA 0.702 5.052 4.350 -0.000 0.000 0.309 585 T C -0.548 174.221 174.700 0.116 0.000 1.208 585 T CA -0.753 61.460 62.100 0.187 0.000 1.016 585 T CB 2.664 71.596 68.868 0.107 0.000 1.192 585 T HN 0.366 nan 8.240 nan 0.000 0.491 586 L N 1.367 122.721 121.223 0.219 0.000 2.370 586 L HA 0.682 5.022 4.340 -0.000 0.000 0.266 586 L C -0.574 176.356 176.870 0.101 0.000 1.002 586 L CA -0.838 54.085 54.840 0.139 0.000 0.818 586 L CB 2.556 44.757 42.059 0.236 0.000 1.325 586 L HN 0.722 nan 8.230 nan 0.000 0.418 587 T N 1.282 115.871 114.554 0.058 0.000 2.809 587 T HA 0.507 4.857 4.350 -0.000 0.000 0.296 587 T C -0.814 173.909 174.700 0.039 0.000 1.015 587 T CA -0.637 61.489 62.100 0.045 0.000 0.954 587 T CB 1.158 70.044 68.868 0.031 0.000 0.950 587 T HN 0.709 nan 8.240 nan 0.000 0.450 588 D N 1.932 122.355 120.400 0.039 0.000 3.103 588 D HA 0.148 4.788 4.640 -0.000 0.000 0.337 588 D C -0.516 175.800 176.300 0.028 0.000 1.356 588 D CA -0.859 53.161 54.000 0.034 0.000 0.951 588 D CB -0.029 40.794 40.800 0.037 0.000 1.438 588 D HN 0.400 nan 8.370 nan 0.000 0.562 589 N N 0.648 119.365 118.700 0.027 0.000 2.700 589 N HA -0.223 4.517 4.740 -0.000 0.000 0.265 589 N C -0.869 174.652 175.510 0.019 0.000 0.975 589 N CA 0.886 53.949 53.050 0.023 0.000 0.800 589 N CB -1.312 37.185 38.487 0.018 0.000 0.908 589 N HN 0.396 nan 8.380 nan 0.000 0.551 590 N N -0.521 118.189 118.700 0.017 0.000 2.525 590 N HA -0.165 4.575 4.740 -0.000 0.000 0.283 590 N C 0.722 176.235 175.510 0.005 0.000 1.259 590 N CA 0.927 53.983 53.050 0.009 0.000 0.689 590 N CB -0.940 37.553 38.487 0.010 0.000 0.899 590 N HN 0.804 nan 8.380 nan 0.000 0.541 591 G N 1.021 109.826 108.800 0.007 0.000 2.390 591 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.299 591 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.299 591 G C 0.257 175.168 174.900 0.018 0.000 1.002 591 G CA 0.877 45.983 45.100 0.011 0.000 0.979 591 G HN 0.684 nan 8.290 nan 0.000 0.513 592 R N -0.436 120.077 120.500 0.022 0.000 2.486 592 R HA 0.515 4.855 4.340 -0.000 0.000 0.286 592 R C 0.195 176.513 176.300 0.030 0.000 0.999 592 R CA -0.606 55.508 56.100 0.023 0.000 0.993 592 R CB 0.962 31.273 30.300 0.018 0.000 1.084 592 R HN 0.131 nan 8.270 nan 0.000 0.487 593 K N 1.443 121.860 120.400 0.028 0.000 2.339 593 K HA 0.355 4.675 4.320 -0.000 0.000 0.264 593 K C -1.118 175.498 176.600 0.026 0.000 0.986 593 K CA -0.424 55.886 56.287 0.038 0.000 0.866 593 K CB 2.031 34.554 32.500 0.039 0.000 1.103 593 K HN 0.586 nan 8.250 nan 0.000 0.441 594 A N 3.370 126.222 122.820 0.053 0.000 2.260 594 A HA 0.145 4.465 4.320 -0.000 0.000 0.312 594 A C -0.666 176.927 177.584 0.015 0.000 1.321 594 A CA -0.479 51.550 52.037 -0.014 0.000 0.928 594 A CB 0.217 19.229 19.000 0.020 0.000 1.158 594 A HN 0.667 nan 8.150 nan 0.000 0.542 595 D N 2.005 122.358 120.400 -0.078 0.000 2.316 595 D HA 0.415 5.055 4.640 -0.000 0.000 0.245 595 D C -0.249 175.977 176.300 -0.124 0.000 1.171 595 D CA 0.074 54.062 54.000 -0.019 0.000 0.856 595 D CB 0.149 40.931 40.800 -0.030 0.000 1.090 595 D HN 0.381 nan 8.370 nan 0.000 0.476 596 F N 2.260 122.191 119.950 -0.031 0.000 2.641 596 F HA 0.270 4.797 4.527 -0.000 0.000 0.302 596 F C 2.071 177.836 175.800 -0.058 0.000 1.098 596 F CA -0.308 57.667 58.000 -0.042 0.000 1.318 596 F CB 0.152 39.130 39.000 -0.037 0.000 1.035 596 F HN 0.305 nan 8.300 nan 0.000 0.551 597 R N 0.330 120.868 120.500 0.064 0.000 2.091 597 R HA -0.118 4.222 4.340 -0.000 0.000 0.238 597 R C 0.533 176.797 176.300 -0.059 0.000 1.136 597 R CA 1.228 57.329 56.100 0.002 0.000 0.959 597 R CB -0.229 30.056 30.300 -0.024 0.000 0.856 597 R HN 0.183 nan 8.270 nan 0.000 0.437 598 N N 0.346 118.953 118.700 -0.155 0.000 2.453 598 N HA 0.122 4.862 4.740 -0.000 0.000 0.270 598 N C -1.129 174.290 175.510 -0.153 0.000 1.195 598 N CA 0.112 53.008 53.050 -0.256 0.000 0.902 598 N CB 1.314 39.351 38.487 -0.750 0.000 1.186 598 N HN -0.101 nan 8.380 nan 0.000 0.510 599 V N 0.820 120.711 119.914 -0.039 0.000 2.604 599 V HA 0.373 4.493 4.120 -0.000 0.000 0.305 599 V C 0.052 176.181 176.094 0.060 0.000 1.043 599 V CA -0.808 61.505 62.300 0.022 0.000 0.888 599 V CB 2.762 34.629 31.823 0.073 0.000 0.995 599 V HN -0.159 nan 8.190 nan 0.000 0.429 600 V N 5.844 125.802 119.914 0.074 0.000 2.333 600 V HA 0.342 4.462 4.120 -0.000 0.000 0.274 600 V C -0.186 175.962 176.094 0.089 0.000 1.028 600 V CA -0.424 61.942 62.300 0.110 0.000 0.851 600 V CB 1.274 33.190 31.823 0.155 0.000 1.000 600 V HN 0.644 nan 8.190 nan 0.000 0.456 601 L N 7.713 128.963 121.223 0.046 0.000 2.281 601 L HA 0.623 4.963 4.340 -0.000 0.000 0.285 601 L C -0.393 176.470 176.870 -0.011 0.000 1.074 601 L CA 0.492 55.336 54.840 0.006 0.000 0.817 601 L CB 1.288 43.319 42.059 -0.046 0.000 1.168 601 L HN 0.412 nan 8.230 nan 0.000 0.434 602 V N 6.747 126.615 119.914 -0.076 0.000 2.531 602 V HA 0.504 4.624 4.120 -0.000 0.000 0.301 602 V C -0.189 175.768 176.094 -0.228 0.000 1.034 602 V CA -0.468 61.682 62.300 -0.249 0.000 0.865 602 V CB 1.676 33.199 31.823 -0.501 0.000 0.995 602 V HN 0.802 nan 8.190 nan 0.000 0.424 603 M N 4.378 123.852 119.600 -0.209 0.000 2.253 603 M HA 0.527 5.007 4.480 -0.000 0.000 0.314 603 M C -0.154 176.086 176.300 -0.099 0.000 1.019 603 M CA -0.381 54.853 55.300 -0.111 0.000 0.932 603 M CB 2.347 34.930 32.600 -0.028 0.000 1.606 603 M HN 0.751 nan 8.290 nan 0.000 0.430 604 T N -1.028 113.490 114.554 -0.061 0.000 2.859 604 T HA 0.720 5.070 4.350 -0.000 0.000 0.281 604 T C -0.341 174.386 174.700 0.045 0.000 1.005 604 T CA -0.714 61.382 62.100 -0.008 0.000 1.025 604 T CB 1.958 70.805 68.868 -0.035 0.000 0.977 604 T HN 0.664 nan 8.240 nan 0.000 0.458 605 T N 0.846 115.446 114.554 0.075 0.000 2.916 605 T HA 0.427 4.777 4.350 -0.000 0.000 0.305 605 T C 0.266 175.038 174.700 0.120 0.000 1.119 605 T CA -0.769 61.415 62.100 0.140 0.000 1.008 605 T CB 1.816 70.854 68.868 0.284 0.000 1.129 605 T HN 0.805 nan 8.240 nan 0.000 0.480 606 N N 1.671 120.441 118.700 0.117 0.000 2.348 606 N HA 0.215 4.955 4.740 -0.000 0.000 0.183 606 N C 2.113 177.693 175.510 0.116 0.000 1.094 606 N CA 0.577 53.682 53.050 0.091 0.000 0.885 606 N CB 0.036 38.558 38.487 0.059 0.000 1.065 606 N HN 0.691 nan 8.380 nan 0.000 0.472 607 A N 0.894 123.800 122.820 0.143 0.000 1.906 607 A HA -0.243 4.077 4.320 -0.000 0.000 0.222 607 A C 2.111 179.777 177.584 0.136 0.000 1.282 607 A CA 2.423 54.534 52.037 0.123 0.000 0.675 607 A CB -1.604 17.468 19.000 0.120 0.000 0.838 607 A HN 0.467 nan 8.150 nan 0.000 0.469 608 G N -2.059 106.867 108.800 0.209 0.000 2.404 608 G HA2 0.214 4.174 3.960 -0.000 0.000 0.214 608 G HA3 0.214 4.174 3.960 -0.000 0.000 0.214 608 G C 0.653 175.653 174.900 0.167 0.000 1.189 608 G CA 1.389 46.616 45.100 0.211 0.000 0.789 608 G HN 1.311 nan 8.290 nan 0.000 0.533 609 V N 0.688 120.700 119.914 0.164 0.000 5.149 609 V HA -0.158 3.962 4.120 -0.000 0.000 0.365 609 V C 0.717 176.885 176.094 0.123 0.000 0.607 609 V CA 0.419 62.791 62.300 0.120 0.000 1.433 609 V CB -1.836 30.056 31.823 0.115 0.000 1.723 609 V HN 0.789 nan 8.190 nan 0.000 0.491 629 M N 0.599 120.136 119.600 -0.105 0.000 2.419 629 M HA 0.013 4.493 4.480 -0.000 0.000 0.264 629 M C 1.380 177.744 176.300 0.106 0.000 1.082 629 M CA 0.938 56.154 55.300 -0.139 0.000 1.119 629 M CB -0.108 32.160 32.600 -0.553 0.000 1.398 629 M HN 0.326 nan 8.290 nan 0.000 0.453 630 E N 0.494 120.728 120.200 0.057 0.000 2.268 630 E HA -0.196 4.154 4.350 -0.000 0.000 0.195 630 E C 1.653 178.323 176.600 0.117 0.000 0.995 630 E CA 1.081 57.533 56.400 0.086 0.000 0.836 630 E CB -0.164 29.564 29.700 0.046 0.000 0.763 630 E HN 0.483 nan 8.360 nan 0.000 0.491 631 E N 0.748 121.024 120.200 0.126 0.000 2.107 631 E HA -0.088 4.262 4.350 -0.000 0.000 0.191 631 E C 1.903 178.616 176.600 0.188 0.000 0.982 631 E CA 0.449 56.926 56.400 0.129 0.000 0.809 631 E CB -0.041 29.729 29.700 0.116 0.000 0.756 631 E HN 0.085 nan 8.360 nan 0.000 0.459 632 I N 0.969 121.717 120.570 0.296 0.000 2.286 632 I HA -0.232 3.938 4.170 -0.000 0.000 0.248 632 I C 1.913 178.262 176.117 0.386 0.000 1.115 632 I CA 1.321 62.873 61.300 0.421 0.000 1.392 632 I CB -0.704 37.609 38.000 0.523 0.000 1.065 632 I HN 0.184 nan 8.210 nan 0.000 0.418 633 K N 0.753 121.323 120.400 0.283 0.000 2.147 633 K HA -0.165 4.155 4.320 -0.000 0.000 0.205 633 K C 2.044 178.736 176.600 0.154 0.000 1.049 633 K CA 1.134 57.553 56.287 0.219 0.000 0.936 633 K CB -0.012 32.588 32.500 0.167 0.000 0.722 633 K HN 0.350 nan 8.250 nan 0.000 0.446 634 K N 0.530 120.998 120.400 0.112 0.000 2.076 634 K HA 0.006 4.326 4.320 -0.000 0.000 0.204 634 K C 2.080 178.670 176.600 -0.016 0.000 1.051 634 K CA 0.880 57.194 56.287 0.044 0.000 0.949 634 K CB 0.009 32.526 32.500 0.029 0.000 0.726 634 K HN 0.049 nan 8.250 nan 0.000 0.443 635 I N 0.114 120.660 120.570 -0.040 0.000 2.252 635 I HA -0.158 4.012 4.170 -0.000 0.000 0.245 635 I C 0.355 176.188 176.117 -0.472 0.000 1.102 635 I CA 0.905 62.034 61.300 -0.286 0.000 1.385 635 I CB 0.114 37.885 38.000 -0.383 0.000 1.064 635 I HN -0.075 nan 8.210 nan 0.000 0.414 636 F N 0.777 120.721 119.950 -0.010 0.000 2.436 636 F HA 0.255 4.782 4.527 -0.000 0.000 0.340 636 F C 0.972 176.789 175.800 0.029 0.000 1.113 636 F CA -1.224 56.755 58.000 -0.036 0.000 1.022 636 F CB 1.003 40.088 39.000 0.143 0.000 1.128 636 F HN -0.139 nan 8.300 nan 0.000 0.466 637 T N 0.356 114.987 114.554 0.127 0.000 2.903 637 T HA 0.094 4.444 4.350 -0.000 0.000 0.314 637 T C -2.000 172.813 174.700 0.188 0.000 1.078 637 T CA -1.282 60.881 62.100 0.105 0.000 1.114 637 T CB 0.951 69.835 68.868 0.025 0.000 0.987 637 T HN 0.316 nan 8.240 nan 0.000 0.548 638 P HA -0.043 nan 4.420 nan 0.000 0.218 638 P C 1.264 178.619 177.300 0.092 0.000 1.148 638 P CA 0.915 64.078 63.100 0.104 0.000 0.822 638 P CB 0.060 31.801 31.700 0.068 0.000 0.784 639 E N -1.408 118.849 120.200 0.095 0.000 2.077 639 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 639 E C 1.709 178.377 176.600 0.113 0.000 0.989 639 E CA 1.002 57.452 56.400 0.083 0.000 0.800 639 E CB -1.028 28.717 29.700 0.074 0.000 0.746 639 E HN 0.265 nan 8.360 nan 0.000 0.452 640 F N 1.149 121.128 119.950 0.047 0.000 2.128 640 F HA -0.043 4.484 4.527 -0.000 0.000 0.295 640 F C 2.022 177.849 175.800 0.045 0.000 1.100 640 F CA 1.329 59.378 58.000 0.081 0.000 1.260 640 F CB 0.051 39.149 39.000 0.163 0.000 1.009 640 F HN -0.195 nan 8.300 nan 0.000 0.476 641 R N 0.256 120.768 120.500 0.020 0.000 2.096 641 R HA -0.129 4.211 4.340 -0.000 0.000 0.235 641 R C 1.530 177.738 176.300 -0.154 0.000 1.127 641 R CA 1.388 57.422 56.100 -0.110 0.000 0.968 641 R CB -0.540 29.817 30.300 0.095 0.000 0.861 641 R HN 0.318 nan 8.270 nan 0.000 0.440 642 N N 0.574 119.227 118.700 -0.078 0.000 2.521 642 N HA -0.058 4.682 4.740 -0.000 0.000 0.188 642 N C 1.006 176.451 175.510 -0.107 0.000 1.146 642 N CA 0.702 53.712 53.050 -0.066 0.000 0.893 642 N CB 0.133 38.610 38.487 -0.017 0.000 0.975 642 N HN 0.240 nan 8.380 nan 0.000 0.451 643 R N -0.237 120.153 120.500 -0.185 0.000 2.312 643 R HA 0.262 4.602 4.340 -0.000 0.000 0.205 643 R C 0.224 176.369 176.300 -0.259 0.000 0.904 643 R CA -0.113 55.873 56.100 -0.190 0.000 1.052 643 R CB 0.421 30.614 30.300 -0.179 0.000 1.014 643 R HN 0.079 nan 8.270 nan 0.000 0.503 644 L N 1.210 122.234 121.223 -0.330 0.000 2.397 644 L HA 0.031 4.371 4.340 -0.000 0.000 0.271 644 L C 1.048 177.773 176.870 -0.241 0.000 1.148 644 L CA -0.013 54.622 54.840 -0.342 0.000 0.825 644 L CB 0.735 42.576 42.059 -0.364 0.000 1.117 644 L HN 0.047 nan 8.230 nan 0.000 0.456 645 D N 1.269 121.488 120.400 -0.301 0.000 2.234 645 D HA -0.015 4.625 4.640 -0.000 0.000 0.205 645 D C 0.019 176.283 176.300 -0.060 0.000 0.962 645 D CA 1.320 55.192 54.000 -0.213 0.000 0.855 645 D CB 0.343 40.929 40.800 -0.356 0.000 0.951 645 D HN 0.565 nan 8.370 nan 0.000 0.500 646 N N -0.949 117.741 118.700 -0.017 0.000 2.710 646 N HA 0.237 4.977 4.740 -0.000 0.000 0.257 646 N C -1.388 174.150 175.510 0.047 0.000 1.140 646 N CA -0.442 52.672 53.050 0.107 0.000 0.953 646 N CB 2.547 41.222 38.487 0.313 0.000 1.664 646 N HN -0.203 nan 8.380 nan 0.000 0.497 647 I N 2.853 123.355 120.570 -0.112 0.000 2.307 647 I HA 0.335 4.505 4.170 -0.000 0.000 0.287 647 I C -0.316 175.470 176.117 -0.552 0.000 1.054 647 I CA -0.369 60.706 61.300 -0.374 0.000 1.218 647 I CB 0.373 38.023 38.000 -0.583 0.000 1.398 647 I HN 0.395 nan 8.210 nan 0.000 0.475 648 I N 5.853 126.275 120.570 -0.246 0.000 2.347 648 I HA 0.061 4.231 4.170 -0.000 0.000 0.294 648 I C -0.416 175.582 176.117 -0.197 0.000 1.090 648 I CA -0.257 60.912 61.300 -0.218 0.000 1.314 648 I CB 0.103 38.000 38.000 -0.173 0.000 1.423 648 I HN 0.462 nan 8.210 nan 0.000 0.503 649 W N 6.623 127.927 121.300 0.007 0.000 2.238 649 W HA 0.358 5.018 4.660 -0.000 0.000 0.321 649 W C -0.397 176.086 176.519 -0.061 0.000 1.293 649 W CA -0.309 57.066 57.345 0.051 0.000 1.204 649 W CB 0.341 29.811 29.460 0.015 0.000 1.167 649 W HN 0.209 nan 8.180 nan 0.000 0.553 650 F N 2.272 122.304 119.950 0.137 0.000 2.493 650 F HA 0.212 4.739 4.527 -0.000 0.000 0.329 650 F C 0.317 176.144 175.800 0.044 0.000 1.126 650 F CA -0.958 57.059 58.000 0.028 0.000 0.937 650 F CB 1.196 40.177 39.000 -0.032 0.000 1.146 650 F HN 0.189 nan 8.300 nan 0.000 0.442 651 D N 0.802 121.289 120.400 0.144 0.000 2.432 651 D HA 0.233 4.873 4.640 -0.000 0.000 0.258 651 D C -0.244 176.115 176.300 0.099 0.000 1.146 651 D CA -0.290 53.770 54.000 0.101 0.000 1.015 651 D CB 0.660 41.514 40.800 0.091 0.000 1.107 651 D HN 0.476 nan 8.370 nan 0.000 0.529 652 H N -0.871 118.284 119.070 0.141 0.000 2.730 652 H HA 0.289 4.845 4.556 -0.000 0.000 0.376 652 H C -0.266 175.143 175.328 0.136 0.000 1.299 652 H CA -0.041 56.104 56.048 0.161 0.000 1.447 652 H CB 0.467 30.316 29.762 0.146 0.000 1.493 652 H HN 0.106 nan 8.280 nan 0.000 0.619 653 L N 1.425 122.826 121.223 0.296 0.000 2.292 653 L HA 0.247 4.587 4.340 -0.000 0.000 0.284 653 L C 0.289 177.151 176.870 -0.013 0.000 1.065 653 L CA -0.610 54.299 54.840 0.115 0.000 0.806 653 L CB 1.296 43.399 42.059 0.073 0.000 1.175 653 L HN 0.619 nan 8.230 nan 0.000 0.431 654 S N 0.729 116.426 115.700 -0.006 0.000 2.617 654 S HA 0.099 4.569 4.470 -0.000 0.000 0.259 654 S C 1.222 175.769 174.600 -0.089 0.000 1.301 654 S CA -0.620 57.559 58.200 -0.035 0.000 0.984 654 S CB 1.120 64.316 63.200 -0.007 0.000 0.954 654 S HN 0.665 nan 8.310 nan 0.000 0.572 655 T N 1.386 115.902 114.554 -0.064 0.000 2.904 655 T HA -0.076 4.274 4.350 -0.000 0.000 0.267 655 T C 0.907 175.627 174.700 0.034 0.000 1.059 655 T CA 1.469 63.550 62.100 -0.032 0.000 1.137 655 T CB -0.498 68.357 68.868 -0.021 0.000 0.879 655 T HN 0.550 nan 8.240 nan 0.000 0.467 656 D N 0.647 121.035 120.400 -0.019 0.000 2.183 656 D HA -0.012 4.628 4.640 -0.000 0.000 0.203 656 D C 2.051 178.353 176.300 0.004 0.000 0.969 656 D CA 0.386 54.370 54.000 -0.028 0.000 0.842 656 D CB -0.249 40.517 40.800 -0.056 0.000 0.957 656 D HN 0.211 nan 8.370 nan 0.000 0.484 657 V N 0.672 120.591 119.914 0.009 0.000 2.379 657 V HA -0.142 3.978 4.120 -0.000 0.000 0.245 657 V C 2.285 178.415 176.094 0.061 0.000 1.044 657 V CA 0.955 63.281 62.300 0.043 0.000 1.036 657 V CB -0.342 31.533 31.823 0.087 0.000 0.664 657 V HN 0.212 nan 8.190 nan 0.000 0.453 658 I N -0.581 119.994 120.570 0.008 0.000 2.208 658 I HA -0.279 3.891 4.170 -0.000 0.000 0.245 658 I C 2.534 178.660 176.117 0.014 0.000 1.097 658 I CA 1.628 62.918 61.300 -0.017 0.000 1.363 658 I CB -0.592 37.303 38.000 -0.177 0.000 1.051 658 I HN 0.400 nan 8.210 nan 0.000 0.413 659 H N 0.043 119.089 119.070 -0.040 0.000 2.423 659 H HA -0.168 4.387 4.556 -0.000 0.000 0.297 659 H C 2.185 177.478 175.328 -0.059 0.000 1.075 659 H CA 1.393 57.422 56.048 -0.032 0.000 1.342 659 H CB 0.133 29.867 29.762 -0.046 0.000 1.395 659 H HN 0.476 nan 8.280 nan 0.000 0.530 660 Q N 0.472 120.255 119.800 -0.028 0.000 2.123 660 Q HA -0.085 4.255 4.340 -0.000 0.000 0.199 660 Q C 2.416 178.309 176.000 -0.179 0.000 0.966 660 Q CA 0.779 56.408 55.803 -0.290 0.000 0.845 660 Q CB 0.344 28.697 28.738 -0.641 0.000 0.907 660 Q HN 0.174 nan 8.270 nan 0.000 0.439 661 V N -0.177 119.806 119.914 0.114 0.000 2.343 661 V HA -0.242 3.878 4.120 -0.000 0.000 0.247 661 V C 2.216 178.538 176.094 0.379 0.000 1.051 661 V CA 1.382 63.910 62.300 0.380 0.000 1.036 661 V CB -0.399 31.654 31.823 0.384 0.000 0.654 661 V HN 0.224 nan 8.190 nan 0.000 0.451 662 V N 0.420 120.455 119.914 0.201 0.000 2.261 662 V HA -0.309 3.811 4.120 -0.000 0.000 0.246 662 V C 2.368 178.571 176.094 0.181 0.000 1.047 662 V CA 2.501 64.900 62.300 0.164 0.000 1.015 662 V CB -0.711 31.111 31.823 -0.002 0.000 0.642 662 V HN 0.627 nan 8.190 nan 0.000 0.446 663 D N 0.045 120.504 120.400 0.098 0.000 2.104 663 D HA -0.242 4.398 4.640 -0.000 0.000 0.194 663 D C 2.226 178.585 176.300 0.099 0.000 0.994 663 D CA 1.759 55.801 54.000 0.071 0.000 0.830 663 D CB -0.220 40.582 40.800 0.004 0.000 0.959 663 D HN 0.381 nan 8.370 nan 0.000 0.452 664 K N -0.993 119.479 120.400 0.120 0.000 2.044 664 K HA -0.194 4.126 4.320 -0.000 0.000 0.210 664 K C 2.187 178.822 176.600 0.058 0.000 1.049 664 K CA 1.265 57.627 56.287 0.125 0.000 0.927 664 K CB -0.418 32.234 32.500 0.253 0.000 0.713 664 K HN 0.182 nan 8.250 nan 0.000 0.443 665 F N 0.999 121.009 119.950 0.100 0.000 2.171 665 F HA -0.116 4.410 4.527 -0.000 0.000 0.300 665 F C 2.097 177.935 175.800 0.062 0.000 1.090 665 F CA 1.071 59.118 58.000 0.078 0.000 1.293 665 F CB -0.050 38.995 39.000 0.077 0.000 1.013 665 F HN 0.009 nan 8.300 nan 0.000 0.486 666 I N -1.020 119.690 120.570 0.234 0.000 2.252 666 I HA -0.240 3.930 4.170 -0.000 0.000 0.245 666 I C 2.186 178.360 176.117 0.096 0.000 1.102 666 I CA 0.765 62.152 61.300 0.145 0.000 1.385 666 I CB -0.504 37.562 38.000 0.109 0.000 1.064 666 I HN -0.103 nan 8.210 nan 0.000 0.414 667 V N 0.748 120.708 119.914 0.077 0.000 2.343 667 V HA -0.270 3.849 4.120 -0.000 0.000 0.247 667 V C 2.328 178.447 176.094 0.041 0.000 1.051 667 V CA 1.822 64.152 62.300 0.050 0.000 1.036 667 V CB -0.700 31.147 31.823 0.041 0.000 0.654 667 V HN 0.433 nan 8.190 nan 0.000 0.451 668 E N -0.252 119.970 120.200 0.036 0.000 2.085 668 E HA -0.256 4.094 4.350 -0.000 0.000 0.194 668 E C 2.136 178.762 176.600 0.044 0.000 0.994 668 E CA 1.411 57.824 56.400 0.021 0.000 0.801 668 E CB -0.219 29.472 29.700 -0.014 0.000 0.743 668 E HN 0.396 nan 8.360 nan 0.000 0.453 669 L N 1.341 122.607 121.223 0.072 0.000 2.056 669 L HA -0.185 4.155 4.340 -0.000 0.000 0.207 669 L C 2.031 178.933 176.870 0.053 0.000 1.078 669 L CA 1.737 56.620 54.840 0.072 0.000 0.749 669 L CB -0.373 41.744 42.059 0.096 0.000 0.901 669 L HN 0.058 nan 8.230 nan 0.000 0.433 670 Q N -1.397 118.433 119.800 0.050 0.000 2.170 670 Q HA -0.167 4.173 4.340 -0.000 0.000 0.203 670 Q C 2.172 178.190 176.000 0.030 0.000 0.976 670 Q CA 1.620 57.446 55.803 0.038 0.000 0.858 670 Q CB -0.189 28.570 28.738 0.035 0.000 0.907 670 Q HN 0.437 nan 8.270 nan 0.000 0.433 671 V N 1.078 121.009 119.914 0.027 0.000 2.295 671 V HA -0.298 3.822 4.120 -0.000 0.000 0.246 671 V C 2.146 178.251 176.094 0.019 0.000 1.049 671 V CA 1.921 64.233 62.300 0.020 0.000 1.024 671 V CB -0.520 31.312 31.823 0.015 0.000 0.648 671 V HN 0.397 nan 8.190 nan 0.000 0.447 672 Q N -0.474 119.339 119.800 0.022 0.000 2.050 672 Q HA -0.159 4.181 4.340 -0.000 0.000 0.202 672 Q C 2.328 178.340 176.000 0.020 0.000 0.980 672 Q CA 1.591 57.406 55.803 0.020 0.000 0.840 672 Q CB -0.263 28.490 28.738 0.024 0.000 0.898 672 Q HN 0.531 nan 8.270 nan 0.000 0.424 673 L N 0.781 122.020 121.223 0.026 0.000 2.083 673 L HA -0.206 4.134 4.340 -0.000 0.000 0.209 673 L C 1.769 178.652 176.870 0.023 0.000 1.083 673 L CA 0.867 55.723 54.840 0.027 0.000 0.752 673 L CB -0.416 41.665 42.059 0.036 0.000 0.899 673 L HN 0.192 nan 8.230 nan 0.000 0.433 674 D N -0.197 120.215 120.400 0.021 0.000 2.178 674 D HA -0.188 4.452 4.640 -0.000 0.000 0.201 674 D C 2.253 178.561 176.300 0.014 0.000 0.980 674 D CA 1.023 55.033 54.000 0.017 0.000 0.842 674 D CB -0.076 40.733 40.800 0.016 0.000 0.948 674 D HN 0.393 nan 8.370 nan 0.000 0.472 675 Q N -0.080 119.727 119.800 0.013 0.000 2.297 675 Q HA 0.001 4.341 4.340 -0.000 0.000 0.204 675 Q C 1.292 177.297 176.000 0.009 0.000 0.962 675 Q CA 0.745 56.554 55.803 0.010 0.000 0.879 675 Q CB 0.222 28.965 28.738 0.009 0.000 0.947 675 Q HN 0.208 nan 8.270 nan 0.000 0.462 676 K N -0.734 119.672 120.400 0.010 0.000 2.387 676 K HA 0.153 4.473 4.320 -0.000 0.000 0.198 676 K C 0.532 177.138 176.600 0.010 0.000 1.022 676 K CA 0.455 56.746 56.287 0.007 0.000 1.128 676 K CB 0.864 33.367 32.500 0.005 0.000 0.853 676 K HN 0.249 nan 8.250 nan 0.000 0.523 677 G N 1.492 110.299 108.800 0.013 0.000 2.176 677 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.252 677 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.252 677 G C -0.096 174.816 174.900 0.020 0.000 1.024 677 G CA -0.023 45.086 45.100 0.014 0.000 0.755 677 G HN 0.142 nan 8.290 nan 0.000 0.507 678 V N 0.384 120.312 119.914 0.024 0.000 2.417 678 V HA 0.704 4.824 4.120 -0.000 0.000 0.291 678 V C 0.472 176.585 176.094 0.033 0.000 1.024 678 V CA -0.131 62.189 62.300 0.034 0.000 0.861 678 V CB 1.843 33.691 31.823 0.041 0.000 0.985 678 V HN 0.411 nan 8.190 nan 0.000 0.436 679 S N 4.845 120.564 115.700 0.032 0.000 2.429 679 S HA 0.645 5.115 4.470 -0.000 0.000 0.302 679 S C -0.777 173.838 174.600 0.024 0.000 1.115 679 S CA -0.458 57.757 58.200 0.025 0.000 1.095 679 S CB 0.658 63.869 63.200 0.018 0.000 0.987 679 S HN 0.575 nan 8.310 nan 0.000 0.474 680 L N 5.364 126.601 121.223 0.024 0.000 2.296 680 L HA 0.641 4.980 4.340 -0.000 0.000 0.286 680 L C -0.336 176.539 176.870 0.009 0.000 1.023 680 L CA 0.029 54.880 54.840 0.019 0.000 0.812 680 L CB 1.400 43.481 42.059 0.035 0.000 1.223 680 L HN 0.730 nan 8.230 nan 0.000 0.421 681 E N 4.236 124.431 120.200 -0.009 0.000 2.222 681 E HA 0.609 4.959 4.350 -0.000 0.000 0.267 681 E C -1.899 174.684 176.600 -0.028 0.000 0.884 681 E CA -0.786 55.605 56.400 -0.015 0.000 0.764 681 E CB 2.010 31.696 29.700 -0.024 0.000 1.169 681 E HN 0.498 nan 8.360 nan 0.000 0.413 682 V N 3.850 123.753 119.914 -0.017 0.000 2.483 682 V HA 0.213 4.333 4.120 -0.000 0.000 0.297 682 V C 0.259 176.339 176.094 -0.023 0.000 1.027 682 V CA -0.784 61.500 62.300 -0.027 0.000 0.855 682 V CB 1.277 33.102 31.823 0.003 0.000 0.995 682 V HN 0.817 nan 8.190 nan 0.000 0.424 683 S N 3.367 119.039 115.700 -0.047 0.000 2.589 683 S HA 0.100 4.570 4.470 -0.000 0.000 0.265 683 S C 1.014 175.615 174.600 0.001 0.000 1.342 683 S CA 0.240 58.421 58.200 -0.032 0.000 1.005 683 S CB 1.143 64.310 63.200 -0.055 0.000 0.909 683 S HN 0.692 nan 8.310 nan 0.000 0.555 684 Q N 0.785 120.594 119.800 0.014 0.000 2.061 684 Q HA -0.147 4.193 4.340 -0.000 0.000 0.204 684 Q C 1.998 178.042 176.000 0.073 0.000 0.984 684 Q CA 2.412 58.245 55.803 0.050 0.000 0.846 684 Q CB -0.440 28.317 28.738 0.032 0.000 0.902 684 Q HN 0.910 nan 8.270 nan 0.000 0.421 685 E N -0.643 119.581 120.200 0.041 0.000 2.077 685 E HA -0.188 4.161 4.350 -0.000 0.000 0.193 685 E C 1.868 178.516 176.600 0.079 0.000 0.989 685 E CA 0.947 57.381 56.400 0.057 0.000 0.800 685 E CB -0.237 29.473 29.700 0.017 0.000 0.746 685 E HN 0.477 nan 8.360 nan 0.000 0.452 686 A N 1.317 124.145 122.820 0.014 0.000 1.930 686 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 686 A C 2.047 179.691 177.584 0.100 0.000 1.175 686 A CA 1.157 53.191 52.037 -0.005 0.000 0.627 686 A CB -0.289 18.641 19.000 -0.117 0.000 0.815 686 A HN 0.058 nan 8.150 nan 0.000 0.443 687 R N -0.266 120.280 120.500 0.077 0.000 2.092 687 R HA -0.081 4.259 4.340 -0.000 0.000 0.231 687 R C 1.980 178.280 176.300 0.000 0.000 1.119 687 R CA 1.574 57.705 56.100 0.052 0.000 0.970 687 R CB -0.420 29.928 30.300 0.079 0.000 0.864 687 R HN 0.698 nan 8.270 nan 0.000 0.440 688 N N -0.374 118.402 118.700 0.127 0.000 2.104 688 N HA -0.230 4.510 4.740 -0.000 0.000 0.190 688 N C 1.424 176.999 175.510 0.108 0.000 1.024 688 N CA 1.263 54.397 53.050 0.140 0.000 0.853 688 N CB -0.173 38.428 38.487 0.191 0.000 1.008 688 N HN 0.288 nan 8.380 nan 0.000 0.424 689 W N 1.725 123.006 121.300 -0.031 0.000 2.358 689 W HA -0.045 4.615 4.660 0.000 0.000 0.303 689 W C 1.650 178.142 176.519 -0.045 0.000 1.208 689 W CA 0.950 58.277 57.345 -0.031 0.000 1.274 689 W CB -0.181 29.260 29.460 -0.033 0.000 1.138 689 W HN -0.004 nan 8.180 nan 0.000 0.515 690 L N 0.163 121.575 121.223 0.315 0.000 2.093 690 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 690 L C 2.720 179.554 176.870 -0.060 0.000 1.085 690 L CA 1.238 56.172 54.840 0.157 0.000 0.755 690 L CB -1.251 40.895 42.059 0.145 0.000 0.904 690 L HN 0.070 nan 8.230 nan 0.000 0.435 691 A N -0.207 122.538 122.820 -0.124 0.000 1.902 691 A HA -0.265 4.055 4.320 -0.000 0.000 0.217 691 A C 2.294 179.825 177.584 -0.088 0.000 1.181 691 A CA 1.920 53.855 52.037 -0.171 0.000 0.623 691 A CB -0.512 18.261 19.000 -0.379 0.000 0.818 691 A HN 0.481 nan 8.150 nan 0.000 0.443 692 E N -0.618 119.512 120.200 -0.118 0.000 2.072 692 E HA -0.236 4.114 4.350 -0.000 0.000 0.191 692 E C 1.924 178.416 176.600 -0.180 0.000 0.985 692 E CA 1.526 57.853 56.400 -0.122 0.000 0.801 692 E CB -0.061 29.535 29.700 -0.172 0.000 0.750 692 E HN 0.398 nan 8.360 nan 0.000 0.452 693 K N -0.425 119.777 120.400 -0.330 0.000 2.228 693 K HA 0.025 4.344 4.320 -0.000 0.000 0.202 693 K C 1.556 178.045 176.600 -0.184 0.000 1.051 693 K CA 1.066 57.134 56.287 -0.365 0.000 0.960 693 K CB 0.032 32.117 32.500 -0.692 0.000 0.743 693 K HN 0.183 nan 8.250 nan 0.000 0.458 694 G N -1.302 107.430 108.800 -0.114 0.000 3.088 694 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.217 694 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.217 694 G C -0.648 174.276 174.900 0.038 0.000 1.159 694 G CA -0.042 45.022 45.100 -0.061 0.000 0.760 694 G HN 0.252 nan 8.290 nan 0.000 0.550 695 Y N 0.511 120.764 120.300 -0.078 0.000 2.406 695 Y HA 0.582 5.132 4.550 -0.000 0.000 0.340 695 Y C -1.884 173.998 175.900 -0.030 0.000 0.975 695 Y CA -1.485 56.596 58.100 -0.031 0.000 1.056 695 Y CB 2.385 40.840 38.460 -0.008 0.000 1.210 695 Y HN -0.023 nan 8.280 nan 0.000 0.448 696 D N 3.811 123.793 120.400 -0.697 0.000 2.879 696 D HA 0.294 4.934 4.640 -0.000 0.000 0.236 696 D C 0.468 176.346 176.300 -0.704 0.000 1.171 696 D CA -0.571 53.139 54.000 -0.484 0.000 0.868 696 D CB 2.183 42.835 40.800 -0.247 0.000 1.598 696 D HN 0.662 nan 8.370 nan 0.000 0.497 697 R N 2.098 122.386 120.500 -0.354 0.000 2.127 697 R HA -0.023 4.317 4.340 -0.000 0.000 0.238 697 R C 1.659 177.903 176.300 -0.093 0.000 1.134 697 R CA 1.935 57.941 56.100 -0.156 0.000 0.975 697 R CB -0.066 30.227 30.300 -0.011 0.000 0.865 697 R HN 0.448 nan 8.270 nan 0.000 0.447 698 A N -1.334 121.420 122.820 -0.109 0.000 2.081 698 A HA 0.074 4.394 4.320 -0.000 0.000 0.214 698 A C 1.578 179.118 177.584 -0.074 0.000 1.158 698 A CA 0.681 52.685 52.037 -0.055 0.000 0.724 698 A CB 0.219 19.195 19.000 -0.040 0.000 0.826 698 A HN 0.158 nan 8.150 nan 0.000 0.463 699 M N -1.312 118.200 119.600 -0.146 0.000 2.306 699 M HA 0.217 4.697 4.480 -0.000 0.000 0.292 699 M C 1.278 177.493 176.300 -0.142 0.000 1.018 699 M CA 0.762 55.990 55.300 -0.119 0.000 1.007 699 M CB -0.369 32.166 32.600 -0.107 0.000 1.510 699 M HN 0.513 nan 8.290 nan 0.000 0.537 700 G N 1.735 110.370 108.800 -0.275 0.000 2.566 700 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.280 700 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.280 700 G C 0.510 175.342 174.900 -0.114 0.000 1.225 700 G CA 0.367 45.345 45.100 -0.202 0.000 0.966 700 G HN 0.576 nan 8.290 nan 0.000 0.560 701 A N -0.201 122.722 122.820 0.173 0.000 2.370 701 A HA 0.440 4.760 4.320 -0.000 0.000 0.238 701 A C 2.106 179.752 177.584 0.104 0.000 1.289 701 A CA 1.230 53.394 52.037 0.211 0.000 0.885 701 A CB -0.234 18.943 19.000 0.294 0.000 0.961 701 A HN 0.599 nan 8.150 nan 0.000 0.499 702 R N 0.367 120.892 120.500 0.042 0.000 2.091 702 R HA -0.114 4.226 4.340 -0.000 0.000 0.238 702 R C -0.895 175.407 176.300 0.003 0.000 1.136 702 R CA 1.858 57.974 56.100 0.027 0.000 0.959 702 R CB -0.889 29.413 30.300 0.003 0.000 0.856 702 R HN 0.416 nan 8.270 nan 0.000 0.437 703 P HA -0.009 nan 4.420 nan 0.000 0.245 703 P C 0.706 177.954 177.300 -0.087 0.000 1.212 703 P CA 0.472 63.542 63.100 -0.049 0.000 0.774 703 P CB 0.126 31.789 31.700 -0.062 0.000 0.999 704 M N 0.744 120.279 119.600 -0.108 0.000 2.108 704 M HA -0.124 4.356 4.480 -0.000 0.000 0.261 704 M C 1.934 177.923 176.300 -0.520 0.000 1.066 704 M CA 1.818 56.947 55.300 -0.284 0.000 1.107 704 M CB -1.252 31.184 32.600 -0.273 0.000 1.356 704 M HN -0.050 nan 8.290 nan 0.000 0.406 705 A N -0.119 122.477 122.820 -0.373 0.000 1.883 705 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 705 A C 2.352 179.863 177.584 -0.121 0.000 1.186 705 A CA 1.815 53.714 52.037 -0.230 0.000 0.624 705 A CB -0.717 18.344 19.000 0.101 0.000 0.822 705 A HN 0.475 nan 8.150 nan 0.000 0.444 706 R N -0.433 120.025 120.500 -0.070 0.000 2.081 706 R HA -0.093 4.247 4.340 -0.000 0.000 0.235 706 R C 2.133 178.415 176.300 -0.030 0.000 1.131 706 R CA 1.581 57.663 56.100 -0.029 0.000 0.960 706 R CB -0.926 29.365 30.300 -0.016 0.000 0.856 706 R HN 0.407 nan 8.270 nan 0.000 0.436 707 V N 1.427 121.302 119.914 -0.065 0.000 2.407 707 V HA -0.233 3.887 4.120 -0.000 0.000 0.248 707 V C 2.383 178.480 176.094 0.006 0.000 1.055 707 V CA 1.263 63.550 62.300 -0.021 0.000 1.049 707 V CB -0.341 31.446 31.823 -0.059 0.000 0.662 707 V HN 0.208 nan 8.190 nan 0.000 0.455 708 I N -0.339 120.175 120.570 -0.092 0.000 2.286 708 I HA -0.200 3.970 4.170 -0.000 0.000 0.245 708 I C 2.456 178.592 176.117 0.032 0.000 1.104 708 I CA 1.503 62.778 61.300 -0.043 0.000 1.397 708 I CB -1.056 36.848 38.000 -0.160 0.000 1.072 708 I HN 0.443 nan 8.210 nan 0.000 0.417 709 Q N 0.859 120.671 119.800 0.020 0.000 2.050 709 Q HA -0.230 4.110 4.340 -0.000 0.000 0.202 709 Q C 1.696 177.721 176.000 0.043 0.000 0.980 709 Q CA 1.929 57.757 55.803 0.042 0.000 0.840 709 Q CB 0.150 28.911 28.738 0.039 0.000 0.898 709 Q HN 0.381 nan 8.270 nan 0.000 0.424 710 D N -0.117 120.312 120.400 0.048 0.000 2.144 710 D HA -0.095 4.545 4.640 -0.000 0.000 0.200 710 D C 0.961 177.309 176.300 0.079 0.000 0.978 710 D CA 1.257 55.292 54.000 0.058 0.000 0.833 710 D CB -0.163 40.679 40.800 0.070 0.000 0.961 710 D HN 0.377 nan 8.370 nan 0.000 0.470 711 N N -1.018 117.755 118.700 0.122 0.000 2.282 711 N HA 0.094 4.834 4.740 -0.000 0.000 0.185 711 N C 0.873 176.489 175.510 0.178 0.000 1.099 711 N CA 0.097 53.249 53.050 0.172 0.000 0.878 711 N CB 0.746 39.383 38.487 0.249 0.000 0.993 711 N HN -0.035 nan 8.380 nan 0.000 0.481 712 L N -0.114 121.180 121.223 0.119 0.000 2.730 712 L HA 0.294 4.634 4.340 -0.000 0.000 0.236 712 L C 1.508 178.421 176.870 0.070 0.000 1.061 712 L CA 0.934 55.845 54.840 0.119 0.000 0.898 712 L CB 0.225 42.352 42.059 0.115 0.000 1.270 712 L HN -0.094 nan 8.230 nan 0.000 0.500 713 K N -0.437 119.993 120.400 0.050 0.000 2.172 713 K HA 0.074 4.394 4.320 -0.000 0.000 0.203 713 K C 1.804 178.402 176.600 -0.002 0.000 1.040 713 K CA 0.428 56.735 56.287 0.033 0.000 0.974 713 K CB 0.213 32.740 32.500 0.045 0.000 0.857 713 K HN 0.056 nan 8.250 nan 0.000 0.464 714 K N 0.827 121.221 120.400 -0.011 0.000 2.063 714 K HA -0.114 4.206 4.320 -0.000 0.000 0.208 714 K C -0.971 175.583 176.600 -0.077 0.000 1.048 714 K CA 1.337 57.604 56.287 -0.032 0.000 0.928 714 K CB -0.897 31.593 32.500 -0.016 0.000 0.713 714 K HN 0.033 nan 8.250 nan 0.000 0.442 715 P HA -0.082 nan 4.420 nan 0.000 0.231 715 P C 0.703 177.940 177.300 -0.104 0.000 1.158 715 P CA 0.994 63.951 63.100 -0.239 0.000 0.763 715 P CB 0.095 31.406 31.700 -0.647 0.000 0.805 716 L N -2.537 118.660 121.223 -0.043 0.000 2.590 716 L HA 0.239 4.579 4.340 -0.000 0.000 0.227 716 L C 2.229 179.036 176.870 -0.104 0.000 1.099 716 L CA 0.333 55.182 54.840 0.014 0.000 0.872 716 L CB -0.725 41.381 42.059 0.077 0.000 1.088 716 L HN -0.090 nan 8.230 nan 0.000 0.479 717 A N 1.296 124.043 122.820 -0.122 0.000 1.859 717 A HA -0.249 4.071 4.320 -0.000 0.000 0.217 717 A C 2.016 179.397 177.584 -0.338 0.000 1.198 717 A CA 2.160 54.093 52.037 -0.173 0.000 0.629 717 A CB -0.559 18.372 19.000 -0.115 0.000 0.830 717 A HN 0.397 nan 8.150 nan 0.000 0.446 718 N N -0.047 118.451 118.700 -0.338 0.000 2.104 718 N HA -0.134 4.606 4.740 -0.000 0.000 0.190 718 N C 1.612 176.760 175.510 -0.602 0.000 1.024 718 N CA 1.497 54.233 53.050 -0.523 0.000 0.853 718 N CB -0.389 38.011 38.487 -0.146 0.000 1.008 718 N HN 0.475 nan 8.380 nan 0.000 0.424 719 E N 0.624 120.543 120.200 -0.469 0.000 2.150 719 E HA -0.036 4.314 4.350 -0.000 0.000 0.193 719 E C 2.182 178.582 176.600 -0.334 0.000 0.985 719 E CA 0.306 56.422 56.400 -0.475 0.000 0.814 719 E CB -0.192 29.021 29.700 -0.811 0.000 0.752 719 E HN 0.405 nan 8.360 nan 0.000 0.466 720 L N -0.009 121.036 121.223 -0.297 0.000 2.156 720 L HA -0.081 4.259 4.340 -0.000 0.000 0.208 720 L C 2.313 179.036 176.870 -0.246 0.000 1.095 720 L CA 0.555 55.273 54.840 -0.203 0.000 0.770 720 L CB -0.123 41.850 42.059 -0.142 0.000 0.914 720 L HN 0.089 nan 8.230 nan 0.000 0.439 721 L N -1.518 119.434 121.223 -0.452 0.000 2.200 721 L HA -0.005 4.335 4.340 -0.000 0.000 0.200 721 L C 0.535 177.205 176.870 -0.334 0.000 1.072 721 L CA 0.737 55.291 54.840 -0.476 0.000 0.787 721 L CB 0.099 41.719 42.059 -0.732 0.000 0.957 721 L HN 0.196 nan 8.230 nan 0.000 0.459 722 F N -1.357 118.554 119.950 -0.065 0.000 2.556 722 F HA 0.710 5.237 4.527 -0.000 0.000 0.384 722 F C 0.151 175.902 175.800 -0.082 0.000 1.493 722 F CA -0.823 57.141 58.000 -0.061 0.000 1.119 722 F CB -0.562 38.407 39.000 -0.051 0.000 1.280 722 F HN -0.126 nan 8.300 nan 0.000 0.525 723 G N 0.495 109.259 108.800 -0.061 0.000 3.085 723 G HA2 0.347 4.307 3.960 -0.000 0.000 0.264 723 G HA3 0.347 4.307 3.960 -0.000 0.000 0.264 723 G C 0.420 175.265 174.900 -0.092 0.000 1.206 723 G CA -0.060 44.985 45.100 -0.091 0.000 0.809 723 G HN 0.111 nan 8.290 nan 0.000 0.592 724 S N -0.593 115.033 115.700 -0.124 0.000 2.423 724 S HA 0.006 4.476 4.470 -0.000 0.000 0.231 724 S C 1.949 176.530 174.600 -0.032 0.000 1.014 724 S CA 0.933 59.100 58.200 -0.055 0.000 0.965 724 S CB -0.283 62.906 63.200 -0.018 0.000 0.785 724 S HN 0.311 nan 8.310 nan 0.000 0.495 725 L N 1.210 122.392 121.223 -0.068 0.000 2.591 725 L HA 0.198 4.538 4.340 -0.000 0.000 0.228 725 L C 2.017 178.865 176.870 -0.036 0.000 1.133 725 L CA -0.120 54.706 54.840 -0.025 0.000 0.880 725 L CB -0.391 41.662 42.059 -0.010 0.000 1.033 725 L HN 0.167 nan 8.230 nan 0.000 0.450 726 V N 0.196 120.081 119.914 -0.049 0.000 2.278 726 V HA -0.308 3.812 4.120 -0.000 0.000 0.251 726 V C 1.225 177.309 176.094 -0.016 0.000 1.062 726 V CA 1.946 64.224 62.300 -0.037 0.000 1.038 726 V CB -0.265 31.545 31.823 -0.022 0.000 0.646 726 V HN 0.521 nan 8.190 nan 0.000 0.447 727 D N -0.391 120.006 120.400 -0.006 0.000 2.525 727 D HA 0.433 5.073 4.640 -0.000 0.000 0.229 727 D C 0.744 177.048 176.300 0.007 0.000 1.202 727 D CA 1.066 55.067 54.000 0.002 0.000 0.828 727 D CB 0.522 41.325 40.800 0.005 0.000 1.008 727 D HN 0.517 nan 8.370 nan 0.000 0.493 728 G N -0.479 108.325 108.800 0.008 0.000 2.592 728 G HA2 0.353 4.313 3.960 -0.000 0.000 0.684 728 G HA3 0.353 4.313 3.960 -0.000 0.000 0.684 728 G C 0.044 174.961 174.900 0.029 0.000 1.291 728 G CA -0.344 44.766 45.100 0.017 0.000 0.891 728 G HN 0.702 nan 8.290 nan 0.000 0.544 729 G N -1.526 107.297 108.800 0.037 0.000 2.320 729 G HA2 0.578 4.538 3.960 -0.000 0.000 0.274 729 G HA3 0.578 4.538 3.960 -0.000 0.000 0.274 729 G C -1.067 173.867 174.900 0.058 0.000 1.324 729 G CA 0.298 45.429 45.100 0.052 0.000 0.957 729 G HN 1.153 nan 8.290 nan 0.000 0.481 730 Q N -1.124 118.719 119.800 0.071 0.000 2.394 730 Q HA 0.670 5.010 4.340 -0.000 0.000 0.273 730 Q C -1.082 174.953 176.000 0.058 0.000 1.089 730 Q CA -0.969 54.865 55.803 0.051 0.000 0.812 730 Q CB 3.124 31.877 28.738 0.025 0.000 1.353 730 Q HN 0.546 nan 8.270 nan 0.000 0.438 731 V N 1.230 121.148 119.914 0.008 0.000 2.531 731 V HA 0.444 4.564 4.120 -0.000 0.000 0.301 731 V C -0.543 175.477 176.094 -0.123 0.000 1.034 731 V CA -0.658 61.584 62.300 -0.097 0.000 0.865 731 V CB 1.918 33.718 31.823 -0.038 0.000 0.995 731 V HN 0.749 nan 8.190 nan 0.000 0.424 732 T N 4.307 118.743 114.554 -0.197 0.000 2.770 732 T HA 0.536 4.886 4.350 -0.000 0.000 0.283 732 T C -0.367 174.206 174.700 -0.211 0.000 0.988 732 T CA -0.272 61.733 62.100 -0.157 0.000 0.957 732 T CB 1.422 70.213 68.868 -0.129 0.000 0.930 732 T HN 0.382 nan 8.240 nan 0.000 0.443 733 V N 3.506 123.313 119.914 -0.178 0.000 2.347 733 V HA 0.814 4.934 4.120 -0.000 0.000 0.280 733 V C 0.310 176.247 176.094 -0.262 0.000 1.021 733 V CA -0.493 61.648 62.300 -0.265 0.000 0.847 733 V CB 0.866 32.587 31.823 -0.171 0.000 0.990 733 V HN 1.061 nan 8.190 nan 0.000 0.444 734 A N 4.756 127.370 122.820 -0.343 0.000 2.470 734 A HA 1.004 5.324 4.320 -0.000 0.000 0.271 734 A C -1.358 176.029 177.584 -0.330 0.000 1.269 734 A CA -0.714 51.165 52.037 -0.263 0.000 0.828 734 A CB 1.625 20.507 19.000 -0.196 0.000 1.374 734 A HN 0.767 nan 8.150 nan 0.000 0.454 735 L N 0.189 121.269 121.223 -0.239 0.000 2.356 735 L HA 0.531 4.871 4.340 -0.000 0.000 0.277 735 L C -1.152 175.614 176.870 -0.174 0.000 0.996 735 L CA -0.281 54.407 54.840 -0.253 0.000 0.822 735 L CB 1.760 43.717 42.059 -0.169 0.000 1.256 735 L HN 0.620 nan 8.230 nan 0.000 0.413 736 D N 4.196 124.485 120.400 -0.185 0.000 2.402 736 D HA 0.085 4.725 4.640 -0.000 0.000 0.235 736 D C 0.867 177.133 176.300 -0.057 0.000 1.226 736 D CA -0.056 53.879 54.000 -0.108 0.000 0.918 736 D CB 0.863 41.600 40.800 -0.104 0.000 1.043 736 D HN 0.441 nan 8.370 nan 0.000 0.506 737 K N 2.126 122.506 120.400 -0.032 0.000 2.001 737 K HA -0.206 4.114 4.320 -0.000 0.000 0.223 737 K C 0.834 177.447 176.600 0.022 0.000 1.055 737 K CA 1.106 57.395 56.287 0.004 0.000 0.965 737 K CB -0.072 32.430 32.500 0.003 0.000 0.730 737 K HN 0.531 nan 8.250 nan 0.000 0.449 738 E N 0.565 120.773 120.200 0.013 0.000 2.452 738 E HA -0.006 4.344 4.350 -0.000 0.000 0.293 738 E C 0.581 177.195 176.600 0.023 0.000 1.535 738 E CA 0.126 56.538 56.400 0.021 0.000 1.816 738 E CB 0.099 29.808 29.700 0.014 0.000 1.494 738 E HN 0.157 nan 8.360 nan 0.000 0.464 739 K N 0.155 120.574 120.400 0.032 0.000 2.552 739 K HA 0.020 4.340 4.320 -0.000 0.000 0.196 739 K C 0.245 176.888 176.600 0.072 0.000 1.785 739 K CA -0.077 56.232 56.287 0.036 0.000 1.076 739 K CB 0.402 32.907 32.500 0.008 0.000 1.559 739 K HN 0.135 nan 8.250 nan 0.000 0.591 740 N N 1.854 120.612 118.700 0.097 0.000 2.705 740 N HA -0.216 4.524 4.740 -0.000 0.000 0.255 740 N C -1.386 174.296 175.510 0.287 0.000 1.008 740 N CA 1.252 54.439 53.050 0.229 0.000 0.742 740 N CB -0.432 38.201 38.487 0.243 0.000 0.906 740 N HN 0.515 nan 8.380 nan 0.000 0.541 741 E N 0.233 120.426 120.200 -0.012 0.000 2.331 741 E HA 0.329 4.678 4.350 -0.000 0.000 0.275 741 E C -0.817 175.492 176.600 -0.485 0.000 0.895 741 E CA -0.810 55.480 56.400 -0.183 0.000 0.753 741 E CB 1.026 30.703 29.700 -0.039 0.000 1.216 741 E HN 0.066 nan 8.360 nan 0.000 0.434 742 L N 1.839 122.613 121.223 -0.748 0.000 2.461 742 L HA 0.265 4.605 4.340 -0.000 0.000 0.272 742 L C 0.383 176.816 176.870 -0.729 0.000 1.197 742 L CA 0.700 55.048 54.840 -0.820 0.000 0.836 742 L CB 1.090 42.593 42.059 -0.928 0.000 1.105 742 L HN 0.541 nan 8.230 nan 0.000 0.477 743 T N 2.541 116.618 114.554 -0.795 0.000 2.855 743 T HA 0.570 4.920 4.350 -0.000 0.000 0.281 743 T C -1.175 172.980 174.700 -0.908 0.000 1.007 743 T CA -0.158 61.567 62.100 -0.625 0.000 1.009 743 T CB 0.610 69.274 68.868 -0.339 0.000 0.983 743 T HN 0.206 nan 8.240 nan 0.000 0.455 744 Y N 0.558 120.744 120.300 -0.189 0.000 2.338 744 Y HA 0.593 5.143 4.550 -0.000 0.000 0.333 744 Y C 0.575 176.227 175.900 -0.413 0.000 0.968 744 Y CA -1.054 56.845 58.100 -0.335 0.000 1.123 744 Y CB 1.957 40.257 38.460 -0.265 0.000 1.165 744 Y HN 0.785 nan 8.280 nan 0.000 0.452 745 G N 2.923 111.472 108.800 -0.419 0.000 2.461 745 G HA2 0.696 4.656 3.960 -0.000 0.000 0.323 745 G HA3 0.696 4.656 3.960 -0.000 0.000 0.323 745 G C -1.621 172.979 174.900 -0.501 0.000 1.229 745 G CA -0.526 44.387 45.100 -0.312 0.000 0.941 745 G HN 0.409 nan 8.290 nan 0.000 0.477 746 F N -0.133 119.837 119.950 0.035 0.000 2.563 746 F HA 0.629 5.155 4.527 -0.000 0.000 0.316 746 F C 0.240 176.048 175.800 0.015 0.000 1.076 746 F CA -0.764 57.250 58.000 0.024 0.000 0.921 746 F CB 2.925 41.936 39.000 0.019 0.000 1.209 746 F HN 0.315 nan 8.300 nan 0.000 0.462 747 Q N 1.660 121.581 119.800 0.203 0.000 2.268 747 Q HA 0.402 4.742 4.340 -0.000 0.000 0.266 747 Q C -1.319 174.739 176.000 0.098 0.000 1.006 747 Q CA -0.532 55.341 55.803 0.116 0.000 0.824 747 Q CB 2.233 31.011 28.738 0.066 0.000 1.306 747 Q HN 0.819 nan 8.270 nan 0.000 0.424 748 S N 1.131 116.874 115.700 0.072 0.000 2.589 748 S HA 0.281 4.751 4.470 -0.000 0.000 0.265 748 S C 0.458 175.081 174.600 0.038 0.000 1.342 748 S CA -0.063 58.166 58.200 0.049 0.000 1.005 748 S CB 1.064 64.283 63.200 0.032 0.000 0.909 748 S HN 0.697 nan 8.310 nan 0.000 0.555 749 A N 0.739 123.576 122.820 0.029 0.000 2.958 749 A HA 0.190 4.510 4.320 -0.000 0.000 0.247 749 A C 0.726 178.321 177.584 0.019 0.000 1.679 749 A CA -0.008 52.043 52.037 0.023 0.000 1.345 749 A CB -0.861 18.151 19.000 0.019 0.000 1.013 749 A HN 0.773 nan 8.150 nan 0.000 0.641 750 Q N 0.517 120.329 119.800 0.021 0.000 2.038 750 Q HA 0.148 4.488 4.340 -0.000 0.000 0.240 750 Q C -0.342 175.669 176.000 0.018 0.000 0.831 750 Q CA -0.349 55.464 55.803 0.017 0.000 1.068 750 Q CB 0.127 28.875 28.738 0.017 0.000 1.241 750 Q HN 0.743 nan 8.270 nan 0.000 0.435 751 K N 0.000 120.412 120.400 0.020 0.000 2.780 751 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 751 K CA 0.000 56.298 56.287 0.018 0.000 0.838 751 K CB 0.000 32.508 32.500 0.014 0.000 1.064 751 K HN 0.000 nan 8.250 nan 0.000 0.543