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 1ksf_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 GTXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXRLE 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 XXXNSTDAME EIKKIFTPEF RNRLDNIIWF DATA SEQUENCE DHLSTDVIHQ VVDKFIVELQ VQLDQKGVSL EVSQEARNWL AEKGYDRAMG DATA SEQUENCE ARPMARVIQD NLKKPLANEL LFGSLVDGGQ VTVALDKEKN ELTYGFQSAQ DATA SEQUENCE KHKAE 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 0.000 176.317 176.300 0.028 0.000 1.140 1 M CA 0.000 55.317 55.300 0.028 0.000 0.988 1 M CB 0.000 32.621 32.600 0.035 0.000 1.302 2 L N 1.092 122.333 121.223 0.029 0.000 2.331 2 L HA 0.521 4.861 4.340 -0.000 0.000 0.275 2 L C 0.454 177.340 176.870 0.026 0.000 1.022 2 L CA -1.070 53.788 54.840 0.030 0.000 0.812 2 L CB 0.973 43.053 42.059 0.036 0.000 1.257 2 L HN 0.082 nan 8.230 nan 0.000 0.435 3 N N 0.958 119.674 118.700 0.027 0.000 2.267 3 N HA -0.088 4.652 4.740 -0.000 0.000 0.226 3 N C 0.639 176.165 175.510 0.027 0.000 1.314 3 N CA 0.139 53.204 53.050 0.026 0.000 0.887 3 N CB 0.515 39.019 38.487 0.028 0.000 1.120 3 N HN 0.667 nan 8.380 nan 0.000 0.440 4 Q N 0.363 120.177 119.800 0.024 0.000 2.137 4 Q HA -0.110 4.230 4.340 -0.000 0.000 0.198 4 Q C 0.939 176.957 176.000 0.030 0.000 0.960 4 Q CA 1.192 57.010 55.803 0.024 0.000 0.847 4 Q CB 0.034 28.784 28.738 0.020 0.000 0.915 4 Q HN 0.561 nan 8.270 nan 0.000 0.448 5 E N 0.550 120.769 120.200 0.032 0.000 2.072 5 E HA -0.161 4.189 4.350 -0.000 0.000 0.191 5 E C 1.888 178.515 176.600 0.045 0.000 0.985 5 E CA 1.058 57.480 56.400 0.037 0.000 0.801 5 E CB -0.151 29.571 29.700 0.035 0.000 0.750 5 E HN 0.354 nan 8.360 nan 0.000 0.452 6 L N 0.789 122.038 121.223 0.044 0.000 2.156 6 L HA -0.022 4.318 4.340 -0.000 0.000 0.208 6 L C 1.992 178.902 176.870 0.067 0.000 1.095 6 L CA 1.809 56.681 54.840 0.053 0.000 0.770 6 L CB -0.338 41.747 42.059 0.043 0.000 0.914 6 L HN 0.149 nan 8.230 nan 0.000 0.439 7 E N -0.856 119.377 120.200 0.054 0.000 2.204 7 E HA -0.185 4.165 4.350 -0.000 0.000 0.194 7 E C 2.110 178.744 176.600 0.058 0.000 0.989 7 E CA 0.621 57.053 56.400 0.053 0.000 0.824 7 E CB -0.001 29.718 29.700 0.031 0.000 0.756 7 E HN 0.481 nan 8.360 nan 0.000 0.477 8 L N 0.322 121.579 121.223 0.056 0.000 2.044 8 L HA -0.092 4.248 4.340 -0.000 0.000 0.205 8 L C 2.241 179.163 176.870 0.086 0.000 1.075 8 L CA 1.324 56.199 54.840 0.059 0.000 0.747 8 L CB -0.629 41.459 42.059 0.048 0.000 0.903 8 L HN 0.125 nan 8.230 nan 0.000 0.435 9 S N 0.199 115.953 115.700 0.089 0.000 2.400 9 S HA -0.173 4.297 4.470 -0.000 0.000 0.232 9 S C 1.950 176.651 174.600 0.167 0.000 1.025 9 S CA 1.100 59.365 58.200 0.109 0.000 0.993 9 S CB -0.140 63.114 63.200 0.090 0.000 0.808 9 S HN 0.347 nan 8.310 nan 0.000 0.478 10 L N 1.202 122.541 121.223 0.192 0.000 2.044 10 L HA -0.082 4.258 4.340 -0.000 0.000 0.205 10 L C 2.162 179.257 176.870 0.376 0.000 1.075 10 L CA 0.906 55.940 54.840 0.323 0.000 0.747 10 L CB -0.658 41.582 42.059 0.303 0.000 0.903 10 L HN 0.245 nan 8.230 nan 0.000 0.435 11 N N -0.193 118.625 118.700 0.196 0.000 2.166 11 N HA -0.161 4.579 4.740 -0.000 0.000 0.186 11 N C 1.748 177.377 175.510 0.197 0.000 1.019 11 N CA 1.299 54.434 53.050 0.142 0.000 0.856 11 N CB -0.182 38.333 38.487 0.046 0.000 0.993 11 N HN 0.206 nan 8.380 nan 0.000 0.426 12 M N 0.202 119.902 119.600 0.167 0.000 2.319 12 M HA 0.095 4.575 4.480 -0.000 0.000 0.265 12 M C 1.918 178.324 176.300 0.176 0.000 1.068 12 M CA 0.539 55.927 55.300 0.147 0.000 1.118 12 M CB -1.086 31.581 32.600 0.111 0.000 1.395 12 M HN 0.098 nan 8.290 nan 0.000 0.435 13 A N -1.271 121.678 122.820 0.215 0.000 2.021 13 A HA -0.005 4.315 4.320 -0.000 0.000 0.216 13 A C 1.971 179.669 177.584 0.189 0.000 1.163 13 A CA 0.531 52.688 52.037 0.200 0.000 0.676 13 A CB -0.672 18.454 19.000 0.210 0.000 0.818 13 A HN 0.315 nan 8.150 nan 0.000 0.453 14 F N 0.313 120.321 119.950 0.096 0.000 2.206 14 F HA -0.021 4.506 4.527 -0.000 0.000 0.298 14 F C 2.678 178.518 175.800 0.066 0.000 1.090 14 F CA 0.974 59.008 58.000 0.057 0.000 1.323 14 F CB -0.155 38.868 39.000 0.039 0.000 1.028 14 F HN 0.271 nan 8.300 nan 0.000 0.492 15 A N 0.425 123.403 122.820 0.262 0.000 1.845 15 A HA -0.263 4.057 4.320 -0.000 0.000 0.215 15 A C 2.207 179.883 177.584 0.152 0.000 1.195 15 A CA 1.974 54.114 52.037 0.172 0.000 0.616 15 A CB -0.912 18.168 19.000 0.134 0.000 0.832 15 A HN 0.376 nan 8.150 nan 0.000 0.443 16 R N -0.088 120.515 120.500 0.172 0.000 2.159 16 R HA -0.065 4.275 4.340 -0.000 0.000 0.237 16 R C 1.920 178.363 176.300 0.239 0.000 1.131 16 R CA 1.628 57.858 56.100 0.217 0.000 0.982 16 R CB -0.439 29.985 30.300 0.206 0.000 0.868 16 R HN 0.392 nan 8.270 nan 0.000 0.453 17 A N 0.889 123.828 122.820 0.198 0.000 2.066 17 A HA -0.014 4.306 4.320 -0.000 0.000 0.218 17 A C 1.459 179.089 177.584 0.077 0.000 1.157 17 A CA 0.804 52.962 52.037 0.202 0.000 0.670 17 A CB -0.098 18.946 19.000 0.073 0.000 0.804 17 A HN 0.425 nan 8.150 nan 0.000 0.453 18 R N -0.705 119.836 120.500 0.069 0.000 2.507 18 R HA 0.264 4.604 4.340 -0.000 0.000 0.298 18 R C 0.314 176.619 176.300 0.007 0.000 0.999 18 R CA 0.251 56.369 56.100 0.031 0.000 1.082 18 R CB 0.227 30.558 30.300 0.052 0.000 1.246 18 R HN 0.545 nan 8.270 nan 0.000 0.553 19 E N -0.664 119.539 120.200 0.005 0.000 2.399 19 E HA 0.119 4.469 4.350 -0.000 0.000 0.206 19 E C 1.152 177.668 176.600 -0.139 0.000 0.812 19 E CA -0.051 56.320 56.400 -0.048 0.000 1.138 19 E CB 0.477 30.164 29.700 -0.022 0.000 1.140 19 E HN 0.321 nan 8.360 nan 0.000 0.536 20 H N 0.900 119.858 119.070 -0.186 0.000 2.551 20 H HA 0.226 4.782 4.556 0.000 0.000 0.266 20 H C -0.028 175.067 175.328 -0.388 0.000 0.977 20 H CA 0.413 56.266 56.048 -0.326 0.000 1.163 20 H CB 0.356 29.770 29.762 -0.581 0.000 1.381 20 H HN 0.005 nan 8.280 nan 0.000 0.581 21 R N 1.634 122.036 120.500 -0.163 0.000 3.267 21 R HA -0.139 4.201 4.340 -0.000 0.000 0.254 21 R C -0.962 175.288 176.300 -0.083 0.000 0.993 21 R CA 0.083 56.120 56.100 -0.105 0.000 0.670 21 R CB -1.796 28.462 30.300 -0.070 0.000 1.125 21 R HN 0.392 nan 8.270 nan 0.000 0.434 22 H N 0.627 119.718 119.070 0.036 0.000 2.610 22 H HA 0.033 4.589 4.556 0.000 0.000 0.336 22 H C 1.279 176.538 175.328 -0.114 0.000 1.087 22 H CA -0.107 55.942 56.048 0.002 0.000 1.405 22 H CB 1.303 31.105 29.762 0.067 0.000 1.460 22 H HN 0.356 nan 8.280 nan 0.000 0.538 23 E N 2.698 122.866 120.200 -0.053 0.000 2.170 23 E HA -0.037 4.313 4.350 -0.000 0.000 0.191 23 E C -0.466 175.797 176.600 -0.562 0.000 0.981 23 E CA 0.566 56.753 56.400 -0.354 0.000 0.830 23 E CB 0.385 29.783 29.700 -0.504 0.000 0.775 23 E HN 0.224 nan 8.360 nan 0.000 0.470 24 F N 0.571 120.448 119.950 -0.121 0.000 2.495 24 F HA 0.373 4.900 4.527 0.000 0.000 0.327 24 F C 0.047 175.514 175.800 -0.556 0.000 1.103 24 F CA -1.040 56.806 58.000 -0.257 0.000 0.949 24 F CB 1.722 40.614 39.000 -0.179 0.000 1.142 24 F HN -0.094 nan 8.300 nan 0.000 0.457 25 M N 4.024 123.347 119.600 -0.462 0.000 2.061 25 M HA 0.394 4.874 4.480 -0.000 0.000 0.346 25 M C -0.134 175.757 176.300 -0.682 0.000 1.112 25 M CA -0.137 54.586 55.300 -0.963 0.000 1.021 25 M CB 0.498 32.411 32.600 -1.145 0.000 1.530 25 M HN 0.712 nan 8.290 nan 0.000 0.437 26 T N 0.961 115.227 114.554 -0.480 0.000 2.922 26 T HA 0.509 4.859 4.350 -0.000 0.000 0.281 26 T C 0.869 175.798 174.700 0.382 0.000 1.005 26 T CA -0.893 61.259 62.100 0.087 0.000 0.982 26 T CB 0.776 69.761 68.868 0.196 0.000 1.158 26 T HN 0.346 nan 8.240 nan 0.000 0.566 27 V N 0.870 120.957 119.914 0.288 0.000 2.626 27 V HA -0.060 4.060 4.120 -0.000 0.000 0.252 27 V C 2.568 178.755 176.094 0.155 0.000 1.067 27 V CA 1.828 64.243 62.300 0.191 0.000 1.081 27 V CB -1.138 30.725 31.823 0.067 0.000 0.686 27 V HN 0.828 nan 8.190 nan 0.000 0.468 28 E N -0.657 119.658 120.200 0.193 0.000 2.208 28 E HA -0.112 4.238 4.350 -0.000 0.000 0.193 28 E C 2.080 178.759 176.600 0.132 0.000 0.988 28 E CA 0.804 57.284 56.400 0.133 0.000 0.828 28 E CB -0.307 29.510 29.700 0.194 0.000 0.763 28 E HN 0.714 nan 8.360 nan 0.000 0.478 29 H N -0.550 118.570 119.070 0.083 0.000 2.389 29 H HA -0.038 4.518 4.556 -0.000 0.000 0.299 29 H C 1.704 177.103 175.328 0.119 0.000 1.081 29 H CA 1.013 57.097 56.048 0.061 0.000 1.345 29 H CB -0.103 29.662 29.762 0.004 0.000 1.393 29 H HN 0.058 nan 8.280 nan 0.000 0.520 30 L N 0.266 121.687 121.223 0.331 0.000 2.017 30 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 30 L C 2.112 179.033 176.870 0.085 0.000 1.073 30 L CA 1.445 56.418 54.840 0.222 0.000 0.745 30 L CB -0.854 41.251 42.059 0.076 0.000 0.894 30 L HN 0.336 nan 8.230 nan 0.000 0.432 31 L N -1.343 119.902 121.223 0.036 0.000 2.083 31 L HA -0.217 4.123 4.340 -0.000 0.000 0.209 31 L C 2.484 179.347 176.870 -0.012 0.000 1.083 31 L CA 1.265 56.091 54.840 -0.023 0.000 0.752 31 L CB -0.244 41.774 42.059 -0.068 0.000 0.899 31 L HN 0.377 nan 8.230 nan 0.000 0.433 32 L N 0.116 121.345 121.223 0.011 0.000 2.017 32 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 32 L C 2.646 179.534 176.870 0.029 0.000 1.073 32 L CA 2.115 56.958 54.840 0.004 0.000 0.745 32 L CB -0.747 41.305 42.059 -0.012 0.000 0.894 32 L HN 0.206 nan 8.230 nan 0.000 0.432 33 A N -0.687 122.174 122.820 0.069 0.000 1.902 33 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 33 A C 2.223 179.842 177.584 0.057 0.000 1.181 33 A CA 1.851 53.940 52.037 0.087 0.000 0.623 33 A CB -0.954 18.130 19.000 0.141 0.000 0.818 33 A HN 0.492 nan 8.150 nan 0.000 0.443 34 L N -0.363 120.882 121.223 0.037 0.000 2.353 34 L HA -0.127 4.213 4.340 -0.000 0.000 0.220 34 L C 2.075 178.943 176.870 -0.002 0.000 1.133 34 L CA 0.209 55.057 54.840 0.013 0.000 0.798 34 L CB -0.417 41.636 42.059 -0.009 0.000 0.922 34 L HN 0.318 nan 8.230 nan 0.000 0.445 35 L N -0.956 120.263 121.223 -0.006 0.000 2.291 35 L HA -0.093 4.247 4.340 -0.000 0.000 0.214 35 L C 2.412 179.282 176.870 0.000 0.000 1.120 35 L CA 1.379 56.209 54.840 -0.017 0.000 0.799 35 L CB -0.726 41.318 42.059 -0.024 0.000 0.925 35 L HN 0.197 nan 8.230 nan 0.000 0.446 36 S N -0.799 114.912 115.700 0.018 0.000 2.458 36 S HA -0.015 4.455 4.470 -0.000 0.000 0.223 36 S C 1.053 175.669 174.600 0.028 0.000 1.019 36 S CA -0.169 58.047 58.200 0.027 0.000 0.937 36 S CB -0.132 63.093 63.200 0.041 0.000 0.788 36 S HN 0.442 nan 8.310 nan 0.000 0.511 37 N N 2.430 121.147 118.700 0.028 0.000 2.438 37 N HA 0.039 4.779 4.740 -0.000 0.000 0.267 37 N C -2.223 173.303 175.510 0.025 0.000 1.222 37 N CA -1.386 51.682 53.050 0.031 0.000 0.930 37 N CB 1.235 39.742 38.487 0.033 0.000 1.083 37 N HN -0.038 nan 8.380 nan 0.000 0.476 38 P HA -0.212 nan 4.420 nan 0.000 0.216 38 P C 1.491 178.821 177.300 0.050 0.000 1.157 38 P CA 1.771 64.894 63.100 0.037 0.000 0.880 38 P CB 0.092 31.817 31.700 0.042 0.000 0.791 39 S N -0.691 115.046 115.700 0.063 0.000 2.368 39 S HA -0.103 4.367 4.470 -0.000 0.000 0.224 39 S C 2.136 176.775 174.600 0.065 0.000 1.029 39 S CA 1.243 59.505 58.200 0.103 0.000 0.988 39 S CB -1.506 61.757 63.200 0.104 0.000 0.838 39 S HN 0.135 nan 8.310 nan 0.000 0.462 40 A N 2.118 124.952 122.820 0.023 0.000 1.969 40 A HA 0.035 4.355 4.320 -0.000 0.000 0.218 40 A C 2.335 179.878 177.584 -0.069 0.000 1.169 40 A CA 1.275 53.300 52.037 -0.020 0.000 0.635 40 A CB -0.712 18.280 19.000 -0.012 0.000 0.810 40 A HN 0.560 nan 8.150 nan 0.000 0.445 41 R N -0.112 120.362 120.500 -0.043 0.000 2.075 41 R HA -0.126 4.214 4.340 -0.000 0.000 0.232 41 R C 1.911 178.154 176.300 -0.096 0.000 1.126 41 R CA 1.676 57.742 56.100 -0.056 0.000 0.963 41 R CB -0.255 30.033 30.300 -0.019 0.000 0.858 41 R HN 0.660 nan 8.270 nan 0.000 0.435 42 E N -0.293 119.861 120.200 -0.077 0.000 2.150 42 E HA -0.140 4.210 4.350 -0.000 0.000 0.193 42 E C 1.835 178.117 176.600 -0.531 0.000 0.985 42 E CA 0.920 57.258 56.400 -0.103 0.000 0.814 42 E CB 0.018 29.805 29.700 0.143 0.000 0.752 42 E HN 0.425 nan 8.360 nan 0.000 0.466 43 A N 1.049 123.437 122.820 -0.720 0.000 1.898 43 A HA -0.114 4.206 4.320 -0.000 0.000 0.216 43 A C 2.140 179.383 177.584 -0.570 0.000 1.181 43 A CA 0.884 52.238 52.037 -1.138 0.000 0.620 43 A CB -0.451 18.211 19.000 -0.562 0.000 0.819 43 A HN 0.119 nan 8.150 nan 0.000 0.442 44 L N -0.943 120.095 121.223 -0.309 0.000 2.156 44 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 44 L C 2.436 179.214 176.870 -0.153 0.000 1.095 44 L CA 1.175 55.906 54.840 -0.182 0.000 0.770 44 L CB -0.400 41.580 42.059 -0.133 0.000 0.914 44 L HN 0.425 nan 8.230 nan 0.000 0.439 45 E N 0.188 120.288 120.200 -0.165 0.000 2.152 45 E HA -0.153 4.197 4.350 -0.000 0.000 0.192 45 E C 2.331 178.876 176.600 -0.092 0.000 0.983 45 E CA 0.950 57.291 56.400 -0.099 0.000 0.818 45 E CB -0.094 29.566 29.700 -0.068 0.000 0.758 45 E HN 0.471 nan 8.360 nan 0.000 0.467 46 A N 0.339 123.057 122.820 -0.170 0.000 1.972 46 A HA -0.176 4.144 4.320 -0.000 0.000 0.219 46 A C 2.086 179.641 177.584 -0.049 0.000 1.169 46 A CA 1.015 52.998 52.037 -0.090 0.000 0.635 46 A CB -0.469 18.442 19.000 -0.149 0.000 0.810 46 A HN 0.374 nan 8.150 nan 0.000 0.446 47 C N -0.153 119.099 119.300 -0.080 0.000 2.613 47 C HA 0.375 4.835 4.460 -0.000 0.000 0.273 47 C C 1.041 176.023 174.990 -0.013 0.000 1.304 47 C CA 0.271 59.270 59.018 -0.032 0.000 1.702 47 C CB -1.706 26.017 27.740 -0.029 0.000 1.792 47 C HN 0.576 nan 8.230 nan 0.000 0.588 48 S N 0.255 115.944 115.700 -0.019 0.000 3.766 48 S HA -0.117 4.353 4.470 -0.000 0.000 0.416 48 S C -0.304 174.301 174.600 0.009 0.000 0.902 48 S CA 0.070 58.268 58.200 -0.003 0.000 1.283 48 S CB -1.092 62.111 63.200 0.005 0.000 0.891 48 S HN 0.475 nan 8.310 nan 0.000 0.556 49 V N 1.893 121.806 119.914 -0.002 0.000 2.417 49 V HA 0.348 4.468 4.120 -0.000 0.000 0.291 49 V C 0.333 176.436 176.094 0.015 0.000 1.024 49 V CA -0.776 61.535 62.300 0.018 0.000 0.861 49 V CB 2.000 33.801 31.823 -0.036 0.000 0.985 49 V HN 0.578 nan 8.190 nan 0.000 0.436 50 D N 3.843 124.279 120.400 0.061 0.000 2.344 50 D HA 0.189 4.829 4.640 -0.000 0.000 0.253 50 D C 1.152 177.464 176.300 0.019 0.000 1.255 50 D CA 0.003 54.030 54.000 0.045 0.000 0.894 50 D CB 0.770 41.611 40.800 0.068 0.000 1.067 50 D HN 0.454 nan 8.370 nan 0.000 0.492 51 L N 3.106 124.322 121.223 -0.012 0.000 2.127 51 L HA -0.176 4.164 4.340 -0.000 0.000 0.211 51 L C 2.097 178.956 176.870 -0.018 0.000 1.089 51 L CA 0.500 55.319 54.840 -0.035 0.000 0.757 51 L CB -0.455 41.586 42.059 -0.030 0.000 0.899 51 L HN 0.399 nan 8.230 nan 0.000 0.434 52 V N 0.179 120.097 119.914 0.008 0.000 2.323 52 V HA -0.175 3.945 4.120 -0.000 0.000 0.244 52 V C 2.806 178.924 176.094 0.039 0.000 1.041 52 V CA 1.641 63.952 62.300 0.019 0.000 1.025 52 V CB -0.906 30.929 31.823 0.020 0.000 0.656 52 V HN 0.450 nan 8.190 nan 0.000 0.451 53 A N -0.651 122.212 122.820 0.072 0.000 2.024 53 A HA -0.144 4.176 4.320 -0.000 0.000 0.220 53 A C 2.254 179.957 177.584 0.199 0.000 1.164 53 A CA 1.726 53.844 52.037 0.134 0.000 0.643 53 A CB -0.437 18.663 19.000 0.165 0.000 0.806 53 A HN 0.495 nan 8.150 nan 0.000 0.451 54 L N -1.603 119.665 121.223 0.074 0.000 2.162 54 L HA -0.047 4.293 4.340 -0.000 0.000 0.205 54 L C 2.670 179.515 176.870 -0.041 0.000 1.086 54 L CA 1.228 55.998 54.840 -0.117 0.000 0.778 54 L CB -0.232 41.591 42.059 -0.394 0.000 0.928 54 L HN 0.431 nan 8.230 nan 0.000 0.446 55 R N 0.122 120.610 120.500 -0.021 0.000 2.082 55 R HA -0.214 4.126 4.340 -0.000 0.000 0.234 55 R C 2.255 178.566 176.300 0.017 0.000 1.136 55 R CA 1.881 57.977 56.100 -0.006 0.000 0.935 55 R CB -0.587 29.715 30.300 0.003 0.000 0.842 55 R HN 0.322 nan 8.270 nan 0.000 0.430 56 Q N 0.532 120.352 119.800 0.032 0.000 2.061 56 Q HA -0.205 4.135 4.340 -0.000 0.000 0.204 56 Q C 2.101 178.132 176.000 0.051 0.000 0.984 56 Q CA 2.070 57.897 55.803 0.040 0.000 0.846 56 Q CB -0.272 28.488 28.738 0.036 0.000 0.902 56 Q HN 0.607 nan 8.270 nan 0.000 0.421 57 E N 0.453 120.694 120.200 0.069 0.000 2.051 57 E HA -0.124 4.226 4.350 -0.000 0.000 0.192 57 E C 2.282 178.943 176.600 0.102 0.000 0.991 57 E CA 0.631 57.087 56.400 0.094 0.000 0.799 57 E CB -0.102 29.681 29.700 0.138 0.000 0.748 57 E HN 0.247 nan 8.360 nan 0.000 0.449 58 L N 0.914 122.173 121.223 0.060 0.000 2.017 58 L HA -0.220 4.120 4.340 -0.000 0.000 0.208 58 L C 2.419 179.323 176.870 0.056 0.000 1.073 58 L CA 1.308 56.181 54.840 0.055 0.000 0.745 58 L CB -0.257 41.799 42.059 -0.005 0.000 0.894 58 L HN 0.146 nan 8.230 nan 0.000 0.432 59 E N -0.312 119.899 120.200 0.019 0.000 2.077 59 E HA -0.246 4.104 4.350 -0.000 0.000 0.193 59 E C 2.244 178.850 176.600 0.009 0.000 0.989 59 E CA 1.205 57.598 56.400 -0.011 0.000 0.800 59 E CB -0.148 29.555 29.700 0.005 0.000 0.746 59 E HN 0.513 nan 8.360 nan 0.000 0.452 60 A N 0.754 123.605 122.820 0.050 0.000 1.902 60 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 60 A C 1.979 179.594 177.584 0.052 0.000 1.181 60 A CA 1.175 53.242 52.037 0.051 0.000 0.623 60 A CB -0.723 18.311 19.000 0.057 0.000 0.818 60 A HN 0.364 nan 8.150 nan 0.000 0.443 61 F N 0.638 120.573 119.950 -0.025 0.000 2.102 61 F HA -0.148 4.379 4.527 -0.000 0.000 0.298 61 F C 1.962 177.729 175.800 -0.055 0.000 1.105 61 F CA 1.714 59.699 58.000 -0.026 0.000 1.239 61 F CB -0.305 38.691 39.000 -0.006 0.000 0.991 61 F HN 0.177 nan 8.300 nan 0.000 0.474 62 I N 0.280 120.800 120.570 -0.084 0.000 2.151 62 I HA -0.306 3.864 4.170 -0.000 0.000 0.243 62 I C 2.357 178.310 176.117 -0.274 0.000 1.080 62 I CA 1.920 63.058 61.300 -0.269 0.000 1.339 62 I CB -0.497 37.264 38.000 -0.398 0.000 1.039 62 I HN 0.169 nan 8.210 nan 0.000 0.409 63 E N 0.665 120.777 120.200 -0.146 0.000 2.208 63 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 63 E C 2.104 178.663 176.600 -0.069 0.000 0.988 63 E CA 1.248 57.631 56.400 -0.028 0.000 0.828 63 E CB -0.021 29.699 29.700 0.034 0.000 0.763 63 E HN 0.454 nan 8.360 nan 0.000 0.478 64 Q N -1.137 118.568 119.800 -0.158 0.000 2.245 64 Q HA -0.035 4.305 4.340 -0.000 0.000 0.201 64 Q C 1.540 177.408 176.000 -0.220 0.000 0.955 64 Q CA 1.678 57.381 55.803 -0.167 0.000 0.870 64 Q CB 0.314 28.945 28.738 -0.180 0.000 0.945 64 Q HN 0.431 nan 8.270 nan 0.000 0.461 65 T N -4.107 110.233 114.554 -0.356 0.000 2.969 65 T HA 0.102 4.452 4.350 -0.000 0.000 0.250 65 T C 0.854 175.453 174.700 -0.167 0.000 1.021 65 T CA -0.216 61.682 62.100 -0.337 0.000 1.003 65 T CB 0.226 68.694 68.868 -0.666 0.000 1.040 65 T HN -0.118 nan 8.240 nan 0.000 0.492 66 T N 4.819 119.295 114.554 -0.129 0.000 2.851 66 T HA 0.439 4.789 4.350 -0.000 0.000 0.298 66 T C -2.578 172.171 174.700 0.083 0.000 0.977 66 T CA -0.891 61.208 62.100 -0.001 0.000 1.126 66 T CB 0.918 69.716 68.868 -0.117 0.000 0.916 66 T HN 0.173 nan 8.240 nan 0.000 0.529 67 P HA 0.265 nan 4.420 nan 0.000 0.271 67 P C -0.960 176.392 177.300 0.087 0.000 1.218 67 P CA -0.467 62.686 63.100 0.089 0.000 0.780 67 P CB 0.439 32.197 31.700 0.096 0.000 0.901 68 V N 3.225 123.172 119.914 0.056 0.000 2.459 68 V HA 0.287 4.407 4.120 -0.000 0.000 0.295 68 V C 0.834 176.926 176.094 -0.003 0.000 1.029 68 V CA -0.349 61.977 62.300 0.043 0.000 0.874 68 V CB 1.537 33.385 31.823 0.041 0.000 0.985 68 V HN 0.472 nan 8.190 nan 0.000 0.438 69 L N 3.787 124.994 121.223 -0.026 0.000 2.910 69 L HA 0.308 4.648 4.340 -0.000 0.000 0.252 69 L C -1.736 175.113 176.870 -0.035 0.000 1.195 69 L CA -0.802 54.013 54.840 -0.042 0.000 1.003 69 L CB 0.777 42.791 42.059 -0.075 0.000 1.328 69 L HN 0.579 nan 8.230 nan 0.000 0.540 70 P HA 0.144 nan 4.420 nan 0.000 0.263 70 P C 0.047 177.335 177.300 -0.019 0.000 1.601 70 P CA 0.239 63.324 63.100 -0.025 0.000 1.161 70 P CB 0.915 32.601 31.700 -0.024 0.000 1.730 71 A N 1.463 124.271 122.820 -0.020 0.000 2.085 71 A HA 0.752 5.072 4.320 -0.000 0.000 0.202 71 A C 0.121 177.696 177.584 -0.015 0.000 2.124 71 A CA 0.269 52.296 52.037 -0.016 0.000 1.584 71 A CB 0.331 19.320 19.000 -0.017 0.000 1.136 71 A HN 0.309 nan 8.150 nan 0.000 0.493 72 S N -1.376 114.314 115.700 -0.015 0.000 2.565 72 S HA 0.437 4.907 4.470 -0.000 0.000 0.269 72 S C -0.215 174.377 174.600 -0.014 0.000 1.153 72 S CA -0.135 58.057 58.200 -0.013 0.000 0.835 72 S CB 1.511 64.705 63.200 -0.010 0.000 1.122 72 S HN 0.471 nan 8.310 nan 0.000 0.462 73 E N 0.995 121.188 120.200 -0.012 0.000 4.430 73 E HA -0.302 4.048 4.350 -0.000 0.000 0.191 73 E C -0.065 176.527 176.600 -0.013 0.000 1.304 73 E CA 2.164 58.557 56.400 -0.011 0.000 2.098 73 E CB -0.862 28.833 29.700 -0.009 0.000 1.915 73 E HN 0.800 nan 8.360 nan 0.000 0.266 74 E N 2.115 122.306 120.200 -0.015 0.000 1.909 74 E HA 0.009 4.359 4.350 -0.000 0.000 0.253 74 E C 0.131 176.717 176.600 -0.022 0.000 1.268 74 E CA 0.337 56.727 56.400 -0.017 0.000 0.999 74 E CB -0.419 29.274 29.700 -0.012 0.000 1.072 74 E HN 0.233 nan 8.360 nan 0.000 0.428 75 E N 0.934 121.122 120.200 -0.019 0.000 2.941 75 E HA -0.287 4.063 4.350 -0.000 0.000 0.265 75 E C -0.123 176.457 176.600 -0.032 0.000 1.160 75 E CA 0.808 57.195 56.400 -0.021 0.000 0.730 75 E CB -0.431 29.259 29.700 -0.017 0.000 1.359 75 E HN 0.316 nan 8.360 nan 0.000 0.451 76 R N 1.897 122.371 120.500 -0.042 0.000 2.265 76 R HA 0.264 4.604 4.340 -0.000 0.000 0.314 76 R C 0.062 176.327 176.300 -0.058 0.000 1.053 76 R CA 0.176 56.238 56.100 -0.063 0.000 0.931 76 R CB 0.475 30.718 30.300 -0.094 0.000 1.024 76 R HN 0.109 nan 8.270 nan 0.000 0.457 77 D N 0.450 120.812 120.400 -0.064 0.000 2.559 77 D HA 0.148 4.788 4.640 -0.000 0.000 0.250 77 D C -0.423 175.832 176.300 -0.075 0.000 1.135 77 D CA -0.691 53.284 54.000 -0.043 0.000 0.955 77 D CB 1.371 42.167 40.800 -0.007 0.000 1.442 77 D HN 0.128 nan 8.370 nan 0.000 0.471 78 T N 1.009 115.532 114.554 -0.052 0.000 2.871 78 T HA 0.018 4.368 4.350 -0.000 0.000 0.296 78 T C -0.149 174.490 174.700 -0.103 0.000 0.998 78 T CA 0.647 62.679 62.100 -0.114 0.000 1.162 78 T CB 0.181 68.970 68.868 -0.131 0.000 0.947 78 T HN 0.194 nan 8.240 nan 0.000 0.536 79 Q N 4.834 124.535 119.800 -0.165 0.000 2.310 79 Q HA 0.367 4.707 4.340 -0.000 0.000 0.270 79 Q C -2.682 173.282 176.000 -0.060 0.000 1.025 79 Q CA -2.361 53.400 55.803 -0.070 0.000 0.772 79 Q CB 1.869 30.581 28.738 -0.043 0.000 1.253 79 Q HN 0.320 nan 8.270 nan 0.000 0.450 80 P HA 0.029 nan 4.420 nan 0.000 0.271 80 P C -0.591 176.706 177.300 -0.005 0.000 1.218 80 P CA 0.031 62.964 63.100 -0.279 0.000 0.780 80 P CB 0.693 32.264 31.700 -0.215 0.000 0.901 81 T N 0.041 114.591 114.554 -0.007 0.000 2.828 81 T HA 0.133 4.483 4.350 -0.000 0.000 0.290 81 T C 1.260 176.007 174.700 0.079 0.000 1.019 81 T CA -0.572 61.527 62.100 -0.002 0.000 1.031 81 T CB 0.247 69.043 68.868 -0.119 0.000 1.001 81 T HN 0.095 nan 8.240 nan 0.000 0.531 82 L N 1.283 122.524 121.223 0.030 0.000 2.081 82 L HA -0.088 4.252 4.340 -0.000 0.000 0.212 82 L C 2.992 179.901 176.870 0.064 0.000 1.080 82 L CA 1.927 56.796 54.840 0.047 0.000 0.754 82 L CB -0.838 41.228 42.059 0.011 0.000 0.893 82 L HN 0.928 nan 8.230 nan 0.000 0.433 83 S N -1.494 114.235 115.700 0.049 0.000 2.368 83 S HA -0.242 4.228 4.470 -0.000 0.000 0.225 83 S C 2.020 176.679 174.600 0.098 0.000 1.030 83 S CA 1.374 59.605 58.200 0.051 0.000 0.999 83 S CB -0.493 62.724 63.200 0.028 0.000 0.844 83 S HN 0.492 nan 8.310 nan 0.000 0.459 84 F N 1.904 121.845 119.950 -0.015 0.000 2.134 84 F HA -0.099 4.428 4.527 -0.000 0.000 0.299 84 F C 2.431 178.246 175.800 0.026 0.000 1.097 84 F CA 1.781 59.782 58.000 0.001 0.000 1.264 84 F CB -0.283 38.709 39.000 -0.014 0.000 1.001 84 F HN 0.281 nan 8.300 nan 0.000 0.479 85 Q N -0.351 119.609 119.800 0.267 0.000 2.172 85 Q HA -0.168 4.172 4.340 -0.000 0.000 0.200 85 Q C 2.345 178.376 176.000 0.051 0.000 0.964 85 Q CA 1.037 56.941 55.803 0.168 0.000 0.855 85 Q CB -0.270 28.572 28.738 0.173 0.000 0.918 85 Q HN 0.411 nan 8.270 nan 0.000 0.444 86 R N 0.387 120.910 120.500 0.038 0.000 2.081 86 R HA -0.123 4.217 4.340 -0.000 0.000 0.235 86 R C 2.096 178.388 176.300 -0.014 0.000 1.131 86 R CA 1.142 57.248 56.100 0.011 0.000 0.960 86 R CB -0.049 30.258 30.300 0.012 0.000 0.856 86 R HN 0.105 nan 8.270 nan 0.000 0.436 87 V N 1.382 121.262 119.914 -0.057 0.000 2.343 87 V HA -0.244 3.876 4.120 -0.000 0.000 0.247 87 V C 2.393 178.434 176.094 -0.088 0.000 1.051 87 V CA 1.541 63.790 62.300 -0.085 0.000 1.036 87 V CB -0.363 31.366 31.823 -0.157 0.000 0.654 87 V HN 0.339 nan 8.190 nan 0.000 0.451 88 L N -0.669 120.473 121.223 -0.135 0.000 2.027 88 L HA -0.213 4.127 4.340 -0.000 0.000 0.206 88 L C 2.742 179.613 176.870 0.002 0.000 1.074 88 L CA 1.643 56.432 54.840 -0.085 0.000 0.745 88 L CB -0.598 41.405 42.059 -0.093 0.000 0.898 88 L HN 0.366 nan 8.230 nan 0.000 0.433 89 Q N -0.431 119.381 119.800 0.020 0.000 2.124 89 Q HA -0.258 4.082 4.340 -0.000 0.000 0.202 89 Q C 2.298 178.358 176.000 0.100 0.000 0.977 89 Q CA 1.419 57.255 55.803 0.056 0.000 0.850 89 Q CB -0.131 28.627 28.738 0.032 0.000 0.901 89 Q HN 0.388 nan 8.270 nan 0.000 0.429 90 R N 0.171 120.718 120.500 0.079 0.000 2.096 90 R HA -0.114 4.226 4.340 -0.000 0.000 0.235 90 R C 2.059 178.464 176.300 0.174 0.000 1.127 90 R CA 1.156 57.339 56.100 0.138 0.000 0.968 90 R CB -0.106 30.248 30.300 0.091 0.000 0.861 90 R HN 0.205 nan 8.270 nan 0.000 0.440 91 A N -0.021 122.856 122.820 0.095 0.000 1.929 91 A HA -0.038 4.282 4.320 -0.000 0.000 0.216 91 A C 2.160 179.809 177.584 0.108 0.000 1.176 91 A CA 1.135 53.215 52.037 0.072 0.000 0.628 91 A CB -0.231 18.776 19.000 0.012 0.000 0.816 91 A HN 0.208 nan 8.150 nan 0.000 0.444 92 V N -1.354 118.629 119.914 0.116 0.000 2.379 92 V HA -0.193 3.927 4.120 -0.000 0.000 0.245 92 V C 2.240 178.432 176.094 0.164 0.000 1.044 92 V CA 1.881 64.251 62.300 0.117 0.000 1.036 92 V CB -0.886 30.999 31.823 0.103 0.000 0.664 92 V HN 0.649 nan 8.190 nan 0.000 0.453 93 F N 0.457 120.441 119.950 0.058 0.000 2.134 93 F HA -0.240 4.287 4.527 -0.000 0.000 0.299 93 F C 2.459 178.298 175.800 0.064 0.000 1.097 93 F CA 2.256 60.286 58.000 0.049 0.000 1.264 93 F CB -0.197 38.828 39.000 0.041 0.000 1.001 93 F HN 0.270 nan 8.300 nan 0.000 0.479 94 H N -0.850 118.205 119.070 -0.025 0.000 2.326 94 H HA -0.144 4.412 4.556 0.000 0.000 0.301 94 H C 2.221 177.466 175.328 -0.138 0.000 1.081 94 H CA 2.136 58.113 56.048 -0.117 0.000 1.334 94 H CB -0.316 29.446 29.762 -0.000 0.000 1.385 94 H HN 0.130 nan 8.280 nan 0.000 0.504 95 V N 0.791 120.795 119.914 0.149 0.000 2.332 95 V HA -0.293 3.827 4.120 -0.000 0.000 0.248 95 V C 2.255 178.337 176.094 -0.019 0.000 1.055 95 V CA 2.227 64.574 62.300 0.079 0.000 1.038 95 V CB -0.488 31.370 31.823 0.058 0.000 0.651 95 V HN 0.560 nan 8.190 nan 0.000 0.450 96 Q N -0.676 119.089 119.800 -0.058 0.000 2.167 96 Q HA -0.145 4.195 4.340 -0.000 0.000 0.202 96 Q C 2.395 178.296 176.000 -0.165 0.000 0.970 96 Q CA 1.748 57.498 55.803 -0.087 0.000 0.855 96 Q CB -0.167 28.538 28.738 -0.056 0.000 0.911 96 Q HN 0.562 nan 8.270 nan 0.000 0.438 97 S N -0.026 115.493 115.700 -0.303 0.000 2.461 97 S HA -0.007 4.463 4.470 -0.000 0.000 0.228 97 S C 1.788 176.238 174.600 -0.249 0.000 1.005 97 S CA 0.516 58.501 58.200 -0.358 0.000 0.942 97 S CB 0.155 62.980 63.200 -0.625 0.000 0.776 97 S HN 0.199 nan 8.310 nan 0.000 0.514 98 S N 0.059 115.642 115.700 -0.193 0.000 2.528 98 S HA 0.302 4.772 4.470 -0.000 0.000 0.219 98 S C 1.430 175.986 174.600 -0.075 0.000 0.985 98 S CA 0.527 58.655 58.200 -0.120 0.000 0.914 98 S CB 0.274 63.453 63.200 -0.034 0.000 0.776 98 S HN 0.701 nan 8.310 nan 0.000 0.526 99 G N 2.250 111.008 108.800 -0.071 0.000 2.132 99 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.228 99 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.228 99 G C -0.133 174.747 174.900 -0.032 0.000 1.000 99 G CA -0.482 44.588 45.100 -0.050 0.000 0.693 99 G HN 0.403 nan 8.290 nan 0.000 0.515 100 R N -0.062 120.423 120.500 -0.024 0.000 2.540 100 R HA 0.386 4.726 4.340 -0.000 0.000 0.287 100 R C 1.136 177.432 176.300 -0.007 0.000 0.980 100 R CA -0.379 55.714 56.100 -0.012 0.000 0.966 100 R CB 0.778 31.077 30.300 -0.001 0.000 1.106 100 R HN 0.202 nan 8.270 nan 0.000 0.480 101 N N 0.908 119.606 118.700 -0.005 0.000 2.058 101 N HA -0.135 4.605 4.740 -0.000 0.000 0.191 101 N C -0.354 175.160 175.510 0.007 0.000 1.037 101 N CA 1.313 54.363 53.050 -0.000 0.000 0.848 101 N CB 0.506 38.993 38.487 -0.001 0.000 1.021 101 N HN 0.522 nan 8.380 nan 0.000 0.422 102 E N -0.501 119.705 120.200 0.010 0.000 2.408 102 E HA 0.298 4.648 4.350 -0.000 0.000 0.275 102 E C -1.416 175.196 176.600 0.019 0.000 0.935 102 E CA -0.726 55.684 56.400 0.016 0.000 0.775 102 E CB 3.091 32.801 29.700 0.016 0.000 1.277 102 E HN -0.185 nan 8.360 nan 0.000 0.455 103 V N 2.115 122.044 119.914 0.024 0.000 2.488 103 V HA 0.202 4.322 4.120 -0.000 0.000 0.277 103 V C 0.496 176.603 176.094 0.023 0.000 1.046 103 V CA -0.063 62.251 62.300 0.024 0.000 0.986 103 V CB 0.686 32.525 31.823 0.027 0.000 0.989 103 V HN 0.802 nan 8.190 nan 0.000 0.475 104 T N 1.842 116.409 114.554 0.022 0.000 2.937 104 T HA 0.516 4.866 4.350 -0.000 0.000 0.283 104 T C 1.401 176.117 174.700 0.026 0.000 1.012 104 T CA 0.017 62.135 62.100 0.028 0.000 0.997 104 T CB 1.653 70.543 68.868 0.036 0.000 1.136 104 T HN 0.643 nan 8.240 nan 0.000 0.551 105 G N -0.019 108.800 108.800 0.032 0.000 2.422 105 G HA2 0.002 3.962 3.960 -0.000 0.000 0.218 105 G HA3 0.002 3.962 3.960 -0.000 0.000 0.218 105 G C 1.719 176.633 174.900 0.024 0.000 1.146 105 G CA 0.735 45.850 45.100 0.025 0.000 0.769 105 G HN 1.093 nan 8.290 nan 0.000 0.547 106 A N 1.153 124.001 122.820 0.047 0.000 1.972 106 A HA -0.092 4.228 4.320 -0.000 0.000 0.219 106 A C 2.258 179.866 177.584 0.039 0.000 1.169 106 A CA 1.796 53.872 52.037 0.064 0.000 0.635 106 A CB -0.350 18.735 19.000 0.142 0.000 0.810 106 A HN 0.360 nan 8.150 nan 0.000 0.446 107 N N 0.080 118.787 118.700 0.012 0.000 2.216 107 N HA -0.091 4.649 4.740 -0.000 0.000 0.183 107 N C 1.673 177.164 175.510 -0.032 0.000 1.017 107 N CA 1.533 54.561 53.050 -0.036 0.000 0.861 107 N CB -0.406 38.061 38.487 -0.032 0.000 0.986 107 N HN 0.293 nan 8.380 nan 0.000 0.428 108 V N 1.489 121.394 119.914 -0.015 0.000 2.427 108 V HA -0.137 3.983 4.120 -0.000 0.000 0.248 108 V C 2.355 178.439 176.094 -0.017 0.000 1.051 108 V CA 0.803 63.086 62.300 -0.029 0.000 1.048 108 V CB -0.487 31.309 31.823 -0.044 0.000 0.666 108 V HN 0.165 nan 8.190 nan 0.000 0.456 109 L N 0.231 121.458 121.223 0.008 0.000 2.042 109 L HA -0.124 4.216 4.340 -0.000 0.000 0.210 109 L C 2.368 179.344 176.870 0.176 0.000 1.076 109 L CA 1.883 56.746 54.840 0.038 0.000 0.749 109 L CB -0.600 41.492 42.059 0.054 0.000 0.893 109 L HN 0.144 nan 8.230 nan 0.000 0.432 110 V N -0.067 119.940 119.914 0.155 0.000 2.407 110 V HA -0.259 3.861 4.120 -0.000 0.000 0.248 110 V C 2.752 178.959 176.094 0.189 0.000 1.055 110 V CA 1.506 63.918 62.300 0.187 0.000 1.049 110 V CB -1.281 30.507 31.823 -0.058 0.000 0.662 110 V HN 0.601 nan 8.190 nan 0.000 0.455 111 A N -0.366 122.494 122.820 0.067 0.000 2.067 111 A HA -0.108 4.212 4.320 -0.000 0.000 0.219 111 A C 2.140 179.752 177.584 0.046 0.000 1.158 111 A CA 1.414 53.482 52.037 0.051 0.000 0.661 111 A CB -0.503 18.503 19.000 0.010 0.000 0.801 111 A HN 0.537 nan 8.150 nan 0.000 0.452 112 I N -1.804 118.768 120.570 0.003 0.000 2.394 112 I HA -0.207 3.963 4.170 -0.000 0.000 0.251 112 I C 1.958 178.005 176.117 -0.117 0.000 1.136 112 I CA 1.032 62.269 61.300 -0.105 0.000 1.425 112 I CB -0.394 37.475 38.000 -0.218 0.000 1.079 112 I HN 0.304 nan 8.210 nan 0.000 0.425 113 F N 0.988 120.925 119.950 -0.021 0.000 2.202 113 F HA -0.225 4.302 4.527 0.000 0.000 0.301 113 F C 2.611 178.411 175.800 0.001 0.000 1.082 113 F CA 1.337 59.331 58.000 -0.010 0.000 1.313 113 F CB -0.540 38.454 39.000 -0.010 0.000 1.024 113 F HN -0.025 nan 8.300 nan 0.000 0.495 114 S N -1.383 114.417 115.700 0.167 0.000 2.522 114 S HA -0.039 4.431 4.470 -0.000 0.000 0.227 114 S C 0.640 175.275 174.600 0.057 0.000 0.986 114 S CA 0.333 58.597 58.200 0.107 0.000 0.929 114 S CB -0.222 63.037 63.200 0.099 0.000 0.769 114 S HN 0.159 nan 8.310 nan 0.000 0.529 115 E N 2.499 122.716 120.200 0.028 0.000 1.802 115 E HA 0.125 4.475 4.350 -0.000 0.000 0.265 115 E C 0.698 177.302 176.600 0.006 0.000 1.168 115 E CA -0.109 56.294 56.400 0.004 0.000 1.033 115 E CB 0.214 29.901 29.700 -0.020 0.000 1.095 115 E HN 0.392 nan 8.360 nan 0.000 0.436 116 Q N 0.911 120.724 119.800 0.022 0.000 2.181 116 Q HA -0.169 4.171 4.340 -0.000 0.000 0.205 116 Q C 0.704 176.713 176.000 0.014 0.000 0.980 116 Q CA 1.262 57.082 55.803 0.028 0.000 0.862 116 Q CB 0.241 28.997 28.738 0.032 0.000 0.905 116 Q HN 0.541 nan 8.270 nan 0.000 0.429 117 E N 0.597 120.796 120.200 -0.001 0.000 2.481 117 E HA 0.042 4.392 4.350 -0.000 0.000 0.198 117 E C 0.422 177.001 176.600 -0.034 0.000 1.027 117 E CA -0.172 56.219 56.400 -0.016 0.000 0.900 117 E CB 0.571 30.261 29.700 -0.017 0.000 0.993 117 E HN 0.131 nan 8.360 nan 0.000 0.482 118 S N 0.262 115.941 115.700 -0.034 0.000 2.593 118 S HA -0.020 4.450 4.470 -0.000 0.000 0.269 118 S C 1.089 175.632 174.600 -0.097 0.000 1.334 118 S CA -0.350 57.814 58.200 -0.061 0.000 1.015 118 S CB 1.778 64.945 63.200 -0.055 0.000 0.912 118 S HN 0.016 nan 8.310 nan 0.000 0.541 119 Q N 2.121 121.797 119.800 -0.207 0.000 2.187 119 Q HA 0.167 4.507 4.340 -0.000 0.000 0.199 119 Q C 2.140 178.035 176.000 -0.175 0.000 0.957 119 Q CA 1.811 57.422 55.803 -0.320 0.000 0.857 119 Q CB -0.906 27.218 28.738 -1.024 0.000 0.929 119 Q HN 0.926 nan 8.270 nan 0.000 0.453 120 A N 0.423 123.137 122.820 -0.177 0.000 1.908 120 A HA -0.089 4.231 4.320 -0.000 0.000 0.218 120 A C 2.273 179.751 177.584 -0.176 0.000 1.181 120 A CA 1.892 53.838 52.037 -0.152 0.000 0.627 120 A CB -1.151 17.773 19.000 -0.126 0.000 0.818 120 A HN 0.512 nan 8.150 nan 0.000 0.445 121 A N -1.598 121.128 122.820 -0.156 0.000 1.930 121 A HA -0.069 4.251 4.320 -0.000 0.000 0.217 121 A C 2.127 179.660 177.584 -0.086 0.000 1.175 121 A CA 1.503 53.425 52.037 -0.191 0.000 0.627 121 A CB -0.811 18.120 19.000 -0.113 0.000 0.815 121 A HN 0.790 nan 8.150 nan 0.000 0.443 122 Y N 0.491 120.711 120.300 -0.133 0.000 2.181 122 Y HA -0.180 4.370 4.550 -0.000 0.000 0.288 122 Y C 1.866 177.737 175.900 -0.047 0.000 1.146 122 Y CA 1.951 60.001 58.100 -0.083 0.000 1.164 122 Y CB -0.215 38.184 38.460 -0.101 0.000 0.982 122 Y HN 0.210 nan 8.280 nan 0.000 0.515 123 L N -0.286 120.819 121.223 -0.197 0.000 2.093 123 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 123 L C 2.387 179.236 176.870 -0.034 0.000 1.085 123 L CA 0.877 55.618 54.840 -0.165 0.000 0.755 123 L CB -0.481 41.557 42.059 -0.035 0.000 0.904 123 L HN 0.319 nan 8.230 nan 0.000 0.435 124 L N -0.562 120.583 121.223 -0.129 0.000 2.093 124 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 124 L C 2.838 179.709 176.870 0.002 0.000 1.085 124 L CA 1.116 55.888 54.840 -0.113 0.000 0.755 124 L CB -0.468 41.384 42.059 -0.345 0.000 0.904 124 L HN 0.255 nan 8.230 nan 0.000 0.435 125 R N 0.649 121.125 120.500 -0.040 0.000 2.115 125 R HA -0.178 4.162 4.340 -0.000 0.000 0.226 125 R C 2.306 178.555 176.300 -0.085 0.000 1.100 125 R CA 1.288 57.383 56.100 -0.008 0.000 0.980 125 R CB -0.015 30.282 30.300 -0.006 0.000 0.875 125 R HN 0.242 nan 8.270 nan 0.000 0.445 126 K N -0.322 119.956 120.400 -0.203 0.000 2.097 126 K HA -0.155 4.165 4.320 -0.000 0.000 0.205 126 K C 0.822 177.298 176.600 -0.207 0.000 1.050 126 K CA 1.492 57.616 56.287 -0.271 0.000 0.938 126 K CB -0.043 32.195 32.500 -0.437 0.000 0.718 126 K HN 0.314 nan 8.250 nan 0.000 0.442 127 H N 0.932 119.929 119.070 -0.122 0.000 2.566 127 H HA 0.122 4.678 4.556 -0.000 0.000 0.280 127 H C -0.451 174.850 175.328 -0.046 0.000 1.042 127 H CA 0.545 56.550 56.048 -0.071 0.000 1.168 127 H CB 0.051 29.777 29.762 -0.061 0.000 1.340 127 H HN 0.286 nan 8.280 nan 0.000 0.597 128 E N -0.609 119.609 120.200 0.030 0.000 2.539 128 E HA -0.173 4.177 4.350 -0.000 0.000 0.253 128 E C -0.846 175.790 176.600 0.060 0.000 1.145 128 E CA 0.242 56.657 56.400 0.025 0.000 0.738 128 E CB -1.193 28.505 29.700 -0.004 0.000 1.308 128 E HN 0.166 nan 8.360 nan 0.000 0.409 129 V N 1.774 121.753 119.914 0.108 0.000 2.364 129 V HA 0.223 4.343 4.120 -0.000 0.000 0.272 129 V C 0.711 176.943 176.094 0.230 0.000 1.036 129 V CA 0.161 62.552 62.300 0.152 0.000 0.880 129 V CB 1.439 33.379 31.823 0.194 0.000 0.991 129 V HN 0.323 nan 8.190 nan 0.000 0.460 130 S N 5.133 120.870 115.700 0.062 0.000 2.672 130 S HA 0.435 4.905 4.470 -0.000 0.000 0.276 130 S C 1.012 175.286 174.600 -0.542 0.000 1.207 130 S CA -0.602 57.547 58.200 -0.086 0.000 1.002 130 S CB 1.595 64.745 63.200 -0.084 0.000 0.998 130 S HN 0.684 nan 8.310 nan 0.000 0.542 131 R N -0.525 119.418 120.500 -0.928 0.000 2.092 131 R HA -0.032 4.308 4.340 -0.000 0.000 0.231 131 R C 2.029 178.021 176.300 -0.513 0.000 1.119 131 R CA 1.121 56.456 56.100 -1.275 0.000 0.970 131 R CB -0.561 29.218 30.300 -0.868 0.000 0.864 131 R HN 0.698 nan 8.270 nan 0.000 0.440 132 L N 1.360 122.409 121.223 -0.291 0.000 2.083 132 L HA -0.139 4.201 4.340 -0.000 0.000 0.209 132 L C 1.160 177.979 176.870 -0.084 0.000 1.083 132 L CA 1.926 56.684 54.840 -0.137 0.000 0.752 132 L CB -0.410 41.600 42.059 -0.083 0.000 0.899 132 L HN 0.119 nan 8.230 nan 0.000 0.433 133 D N -0.844 119.499 120.400 -0.094 0.000 2.144 133 D HA -0.134 4.505 4.640 -0.000 0.000 0.199 133 D C 2.268 178.582 176.300 0.023 0.000 0.984 133 D CA 1.612 55.600 54.000 -0.020 0.000 0.834 133 D CB -0.120 40.670 40.800 -0.017 0.000 0.955 133 D HN 0.313 nan 8.370 nan 0.000 0.465 134 V N 0.252 120.143 119.914 -0.039 0.000 2.488 134 V HA -0.128 3.992 4.120 -0.000 0.000 0.246 134 V C 2.588 178.723 176.094 0.069 0.000 1.046 134 V CA 0.672 62.992 62.300 0.034 0.000 1.053 134 V CB -0.341 31.490 31.823 0.013 0.000 0.679 134 V HN 0.041 nan 8.190 nan 0.000 0.458 135 V N 0.906 120.809 119.914 -0.018 0.000 2.295 135 V HA -0.225 3.895 4.120 -0.000 0.000 0.246 135 V C 2.340 178.456 176.094 0.037 0.000 1.049 135 V CA 2.135 64.430 62.300 -0.007 0.000 1.024 135 V CB -0.771 31.032 31.823 -0.033 0.000 0.648 135 V HN 0.553 nan 8.190 nan 0.000 0.447 136 N N -0.606 118.142 118.700 0.079 0.000 2.381 136 N HA -0.113 4.627 4.740 -0.000 0.000 0.182 136 N C 1.550 177.161 175.510 0.168 0.000 1.025 136 N CA 1.132 54.274 53.050 0.154 0.000 0.888 136 N CB -0.341 38.230 38.487 0.140 0.000 0.965 136 N HN 0.574 nan 8.380 nan 0.000 0.438 137 F N 1.209 121.173 119.950 0.024 0.000 2.206 137 F HA 0.113 4.640 4.527 -0.000 0.000 0.298 137 F C 1.959 177.759 175.800 -0.001 0.000 1.090 137 F CA 0.762 58.774 58.000 0.019 0.000 1.323 137 F CB -0.075 38.929 39.000 0.008 0.000 1.028 137 F HN -0.111 nan 8.300 nan 0.000 0.492 138 I N -0.715 119.861 120.570 0.010 0.000 2.193 138 I HA -0.265 3.905 4.170 -0.000 0.000 0.240 138 I C 2.442 178.442 176.117 -0.195 0.000 1.084 138 I CA 1.225 62.467 61.300 -0.097 0.000 1.365 138 I CB -0.753 37.251 38.000 0.007 0.000 1.064 138 I HN 0.057 nan 8.210 nan 0.000 0.410 139 S N -0.445 115.127 115.700 -0.214 0.000 2.363 139 S HA -0.191 4.279 4.470 -0.000 0.000 0.218 139 S C 0.668 174.984 174.600 -0.474 0.000 1.035 139 S CA 1.296 59.254 58.200 -0.403 0.000 1.043 139 S CB -0.592 62.227 63.200 -0.636 0.000 0.986 139 S HN 0.462 nan 8.310 nan 0.000 0.423 140 H N 0.437 119.450 119.070 -0.095 0.000 3.008 140 H HA 0.526 5.082 4.556 -0.000 0.000 0.268 140 H C 0.659 175.896 175.328 -0.152 0.000 1.323 140 H CA 0.219 56.209 56.048 -0.097 0.000 1.401 140 H CB 0.040 29.764 29.762 -0.063 0.000 1.556 140 H HN 0.459 nan 8.280 nan 0.000 0.502 141 G N 1.982 110.723 108.800 -0.097 0.000 3.198 141 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.228 141 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.228 141 G C 0.012 174.821 174.900 -0.153 0.000 1.499 141 G CA -0.227 44.784 45.100 -0.149 0.000 1.104 141 G HN 0.661 nan 8.290 nan 0.000 0.563 169 L N 0.565 121.734 121.223 -0.090 0.000 2.503 169 L HA 0.420 4.760 4.340 -0.000 0.000 0.248 169 L C 0.533 177.410 176.870 0.011 0.000 1.126 169 L CA -0.440 54.372 54.840 -0.047 0.000 0.929 169 L CB 1.690 43.740 42.059 -0.016 0.000 1.544 169 L HN 0.818 nan 8.230 nan 0.000 0.404 170 E N 0.549 120.769 120.200 0.034 0.000 3.677 170 E HA 0.024 4.374 4.350 -0.000 0.000 0.523 170 E C -0.735 175.908 176.600 0.071 0.000 0.493 170 E CA 0.063 56.494 56.400 0.051 0.000 3.274 170 E CB -0.116 29.627 29.700 0.072 0.000 1.915 170 E HN 0.593 nan 8.360 nan 0.000 0.413 171 N N -1.140 117.612 118.700 0.086 0.000 2.480 171 N HA 0.460 5.200 4.740 -0.000 0.000 0.289 171 N C -1.467 174.049 175.510 0.011 0.000 1.073 171 N CA -0.260 52.809 53.050 0.032 0.000 0.885 171 N CB 1.717 40.167 38.487 -0.062 0.000 1.421 171 N HN 0.289 nan 8.380 nan 0.000 0.503 172 F N -0.434 119.539 119.950 0.038 0.000 1.923 172 F HA 0.230 4.757 4.527 -0.000 0.000 0.230 172 F C 0.408 176.238 175.800 0.049 0.000 1.286 172 F CA -0.383 57.642 58.000 0.041 0.000 1.181 172 F CB 0.830 39.857 39.000 0.045 0.000 2.091 172 F HN 0.307 nan 8.300 nan 0.000 0.104 173 T N 1.044 115.795 114.554 0.329 0.000 3.967 173 T HA 0.343 4.693 4.350 -0.000 0.000 0.262 173 T C -0.600 174.209 174.700 0.183 0.000 0.966 173 T CA -0.000 62.222 62.100 0.205 0.000 1.169 173 T CB -0.533 68.449 68.868 0.190 0.000 1.038 173 T HN 0.237 nan 8.240 nan 0.000 0.541 174 T N 1.965 116.630 114.554 0.185 0.000 2.810 174 T HA 0.373 4.723 4.350 -0.000 0.000 0.277 174 T C 0.383 175.176 174.700 0.154 0.000 0.973 174 T CA -0.519 61.691 62.100 0.183 0.000 0.949 174 T CB 0.269 69.254 68.868 0.195 0.000 1.075 174 T HN 0.470 nan 8.240 nan 0.000 0.537 175 N N 0.670 119.469 118.700 0.166 0.000 2.586 175 N HA -0.138 4.602 4.740 -0.000 0.000 0.282 175 N C 0.558 176.078 175.510 0.018 0.000 1.171 175 N CA 0.084 53.167 53.050 0.055 0.000 0.733 175 N CB -1.014 37.530 38.487 0.095 0.000 0.910 175 N HN 0.583 nan 8.380 nan 0.000 0.548 176 L N 0.690 121.914 121.223 0.002 0.000 2.291 176 L HA -0.048 4.292 4.340 -0.000 0.000 0.214 176 L C 2.082 178.948 176.870 -0.007 0.000 1.120 176 L CA 0.671 55.521 54.840 0.016 0.000 0.799 176 L CB -0.286 41.785 42.059 0.019 0.000 0.925 176 L HN 0.436 nan 8.230 nan 0.000 0.446 177 N N -0.009 118.652 118.700 -0.065 0.000 2.142 177 N HA -0.229 4.511 4.740 -0.000 0.000 0.186 177 N C 1.895 177.384 175.510 -0.034 0.000 1.023 177 N CA 1.101 54.110 53.050 -0.068 0.000 0.852 177 N CB 0.008 38.416 38.487 -0.133 0.000 0.998 177 N HN 0.466 nan 8.380 nan 0.000 0.424 178 Q N 1.035 120.820 119.800 -0.025 0.000 2.167 178 Q HA -0.041 4.299 4.340 -0.000 0.000 0.202 178 Q C 2.052 178.064 176.000 0.021 0.000 0.970 178 Q CA 0.666 56.470 55.803 0.001 0.000 0.855 178 Q CB 0.149 28.896 28.738 0.016 0.000 0.911 178 Q HN 0.400 nan 8.270 nan 0.000 0.438 179 L N -0.230 121.013 121.223 0.032 0.000 2.291 179 L HA -0.050 4.290 4.340 -0.000 0.000 0.214 179 L C 2.341 179.251 176.870 0.067 0.000 1.120 179 L CA 0.719 55.587 54.840 0.048 0.000 0.799 179 L CB -0.405 41.686 42.059 0.054 0.000 0.925 179 L HN 0.202 nan 8.230 nan 0.000 0.446 180 A N 0.220 123.088 122.820 0.080 0.000 1.975 180 A HA -0.098 4.222 4.320 -0.000 0.000 0.215 180 A C 2.330 179.987 177.584 0.121 0.000 1.170 180 A CA 0.652 52.784 52.037 0.159 0.000 0.656 180 A CB -0.240 18.871 19.000 0.186 0.000 0.821 180 A HN 0.271 nan 8.150 nan 0.000 0.449 181 R N -0.442 120.081 120.500 0.038 0.000 2.120 181 R HA -0.039 4.301 4.340 -0.000 0.000 0.234 181 R C 1.537 177.850 176.300 0.022 0.000 1.123 181 R CA 1.366 57.467 56.100 0.002 0.000 0.975 181 R CB -0.370 29.917 30.300 -0.022 0.000 0.866 181 R HN 0.448 nan 8.270 nan 0.000 0.446 182 V N -1.662 118.274 119.914 0.037 0.000 2.913 182 V HA 0.246 4.366 4.120 -0.000 0.000 0.193 182 V C 1.354 177.479 176.094 0.052 0.000 1.208 182 V CA 0.978 63.299 62.300 0.035 0.000 1.335 182 V CB -0.031 31.809 31.823 0.028 0.000 1.011 182 V HN 0.406 nan 8.190 nan 0.000 0.493 183 G N -1.157 107.671 108.800 0.046 0.000 5.542 183 G HA2 0.345 4.305 3.960 -0.000 0.000 0.207 183 G HA3 0.345 4.305 3.960 -0.000 0.000 0.207 183 G C 0.712 175.627 174.900 0.026 0.000 0.764 183 G CA 0.439 45.564 45.100 0.042 0.000 0.692 183 G HN 0.746 nan 8.290 nan 0.000 0.330 184 G N 0.492 109.312 108.800 0.034 0.000 2.464 184 G HA2 0.174 4.134 3.960 -0.000 0.000 0.217 184 G HA3 0.174 4.134 3.960 -0.000 0.000 0.217 184 G C 0.672 175.584 174.900 0.020 0.000 1.138 184 G CA 0.288 45.404 45.100 0.027 0.000 0.793 184 G HN 0.429 nan 8.290 nan 0.000 0.539 185 I N 1.608 122.192 120.570 0.023 0.000 2.315 185 I HA 0.182 4.352 4.170 -0.000 0.000 0.291 185 I C -0.719 175.370 176.117 -0.046 0.000 1.006 185 I CA -0.866 60.435 61.300 0.002 0.000 1.265 185 I CB 1.491 39.504 38.000 0.022 0.000 1.387 185 I HN -0.125 nan 8.210 nan 0.000 0.475 186 D N 8.523 128.892 120.400 -0.052 0.000 2.414 186 D HA 0.178 4.818 4.640 -0.000 0.000 0.242 186 D C -2.089 174.129 176.300 -0.136 0.000 1.129 186 D CA -0.967 52.987 54.000 -0.077 0.000 0.885 186 D CB 0.862 41.637 40.800 -0.041 0.000 1.198 186 D HN 0.195 nan 8.370 nan 0.000 0.437 187 P HA 0.045 nan 4.420 nan 0.000 0.268 187 P C -0.561 176.603 177.300 -0.227 0.000 1.208 187 P CA -0.383 62.526 63.100 -0.317 0.000 0.777 187 P CB 0.444 31.970 31.700 -0.289 0.000 0.875 188 L N 3.714 124.775 121.223 -0.271 0.000 2.265 188 L HA 0.415 4.755 4.340 -0.000 0.000 0.289 188 L C -0.751 176.043 176.870 -0.127 0.000 1.033 188 L CA -0.178 54.569 54.840 -0.155 0.000 0.814 188 L CB 0.134 42.120 42.059 -0.122 0.000 1.203 188 L HN 0.227 nan 8.230 nan 0.000 0.423 189 I N 6.134 126.655 120.570 -0.081 0.000 2.336 189 I HA 0.633 4.803 4.170 -0.000 0.000 0.292 189 I C 1.059 177.155 176.117 -0.035 0.000 0.991 189 I CA 0.245 61.512 61.300 -0.054 0.000 1.227 189 I CB 0.887 38.860 38.000 -0.044 0.000 1.366 189 I HN 0.861 nan 8.210 nan 0.000 0.466 190 G N 5.303 114.089 108.800 -0.022 0.000 2.539 190 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.256 190 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.256 190 G C 0.310 175.201 174.900 -0.014 0.000 1.233 190 G CA -0.043 45.048 45.100 -0.015 0.000 0.936 190 G HN 0.779 nan 8.290 nan 0.000 0.571 191 R N -0.713 119.778 120.500 -0.014 0.000 3.422 191 R HA -0.166 4.174 4.340 -0.000 0.000 0.267 191 R C 1.405 177.699 176.300 -0.010 0.000 1.074 191 R CA 1.025 57.116 56.100 -0.015 0.000 0.718 191 R CB -1.122 29.166 30.300 -0.020 0.000 1.157 191 R HN 0.645 nan 8.270 nan 0.000 0.440 192 E N 0.979 121.176 120.200 -0.005 0.000 2.072 192 E HA -0.164 4.186 4.350 -0.000 0.000 0.191 192 E C 1.441 178.038 176.600 -0.005 0.000 0.985 192 E CA 1.138 57.538 56.400 -0.000 0.000 0.801 192 E CB 0.052 29.754 29.700 0.002 0.000 0.750 192 E HN 0.456 nan 8.360 nan 0.000 0.452 193 K N 0.684 121.079 120.400 -0.009 0.000 2.103 193 K HA -0.188 4.132 4.320 -0.000 0.000 0.207 193 K C 2.095 178.685 176.600 -0.016 0.000 1.048 193 K CA 1.357 57.637 56.287 -0.012 0.000 0.930 193 K CB -0.062 32.430 32.500 -0.012 0.000 0.716 193 K HN 0.009 nan 8.250 nan 0.000 0.444 194 E N 0.843 121.032 120.200 -0.019 0.000 2.107 194 E HA -0.081 4.269 4.350 -0.000 0.000 0.191 194 E C 1.911 178.497 176.600 -0.024 0.000 0.982 194 E CA 0.717 57.101 56.400 -0.026 0.000 0.809 194 E CB -0.034 29.648 29.700 -0.031 0.000 0.756 194 E HN 0.164 nan 8.360 nan 0.000 0.459 195 L N 0.321 121.534 121.223 -0.017 0.000 2.072 195 L HA -0.151 4.189 4.340 -0.000 0.000 0.205 195 L C 2.293 179.157 176.870 -0.009 0.000 1.079 195 L CA 1.064 55.896 54.840 -0.012 0.000 0.752 195 L CB -0.127 41.933 42.059 0.001 0.000 0.906 195 L HN 0.070 nan 8.230 nan 0.000 0.436 196 E N 0.033 120.229 120.200 -0.007 0.000 2.058 196 E HA -0.270 4.080 4.350 -0.000 0.000 0.194 196 E C 2.195 178.789 176.600 -0.010 0.000 0.997 196 E CA 1.206 57.603 56.400 -0.006 0.000 0.801 196 E CB -0.017 29.680 29.700 -0.005 0.000 0.746 196 E HN 0.142 nan 8.360 nan 0.000 0.450 197 R N 0.032 120.523 120.500 -0.014 0.000 2.096 197 R HA -0.050 4.290 4.340 -0.000 0.000 0.235 197 R C 1.946 178.237 176.300 -0.015 0.000 1.127 197 R CA 1.575 57.665 56.100 -0.017 0.000 0.968 197 R CB -0.460 29.826 30.300 -0.024 0.000 0.861 197 R HN 0.187 nan 8.270 nan 0.000 0.440 198 A N 0.248 123.058 122.820 -0.016 0.000 1.929 198 A HA -0.036 4.284 4.320 -0.000 0.000 0.216 198 A C 2.202 179.781 177.584 -0.008 0.000 1.176 198 A CA 1.371 53.400 52.037 -0.013 0.000 0.628 198 A CB -0.442 18.546 19.000 -0.020 0.000 0.816 198 A HN 0.365 nan 8.150 nan 0.000 0.444 199 I N -0.732 119.833 120.570 -0.009 0.000 2.252 199 I HA -0.274 3.896 4.170 -0.000 0.000 0.245 199 I C 2.770 178.884 176.117 -0.006 0.000 1.102 199 I CA 1.657 62.952 61.300 -0.007 0.000 1.385 199 I CB -0.216 37.780 38.000 -0.006 0.000 1.064 199 I HN 0.489 nan 8.210 nan 0.000 0.414 200 Q N 0.500 120.296 119.800 -0.006 0.000 2.119 200 Q HA -0.167 4.173 4.340 -0.000 0.000 0.201 200 Q C 2.341 178.338 176.000 -0.005 0.000 0.972 200 Q CA 1.521 57.321 55.803 -0.006 0.000 0.847 200 Q CB 0.168 28.902 28.738 -0.006 0.000 0.903 200 Q HN 0.342 nan 8.270 nan 0.000 0.433 201 V N 0.954 120.865 119.914 -0.005 0.000 2.295 201 V HA -0.280 3.840 4.120 -0.000 0.000 0.246 201 V C 2.274 178.365 176.094 -0.004 0.000 1.049 201 V CA 1.561 63.860 62.300 -0.003 0.000 1.024 201 V CB -0.448 31.376 31.823 0.002 0.000 0.648 201 V HN 0.403 nan 8.190 nan 0.000 0.447 202 L N -0.959 120.263 121.223 -0.002 0.000 2.265 202 L HA -0.206 4.134 4.340 -0.000 0.000 0.215 202 L C 2.232 179.099 176.870 -0.006 0.000 1.117 202 L CA 1.046 55.884 54.840 -0.003 0.000 0.782 202 L CB -0.511 41.549 42.059 0.001 0.000 0.914 202 L HN 0.398 nan 8.230 nan 0.000 0.441 203 C N -0.832 118.464 119.300 -0.006 0.000 2.618 203 C HA 0.069 4.529 4.460 -0.000 0.000 0.264 203 C C 1.664 176.650 174.990 -0.006 0.000 1.334 203 C CA -0.561 58.454 59.018 -0.006 0.000 1.731 203 C CB -1.099 26.637 27.740 -0.006 0.000 1.852 203 C HN 0.290 nan 8.230 nan 0.000 0.566 204 R N 0.614 121.110 120.500 -0.007 0.000 2.774 204 R HA 0.113 4.453 4.340 -0.000 0.000 0.269 204 R C 1.616 177.911 176.300 -0.009 0.000 1.068 204 R CA -0.156 55.940 56.100 -0.007 0.000 1.180 204 R CB 0.536 30.832 30.300 -0.007 0.000 1.077 204 R HN 0.349 nan 8.270 nan 0.000 0.513 205 R N 0.875 121.371 120.500 -0.007 0.000 2.062 205 R HA 0.004 4.344 4.340 -0.000 0.000 0.226 205 R C 0.226 176.520 176.300 -0.010 0.000 1.125 205 R CA 1.211 57.307 56.100 -0.007 0.000 0.966 205 R CB 0.362 30.660 30.300 -0.004 0.000 0.861 205 R HN 0.406 nan 8.270 nan 0.000 0.433 206 R N -0.184 120.311 120.500 -0.009 0.000 2.854 206 R HA 0.266 4.606 4.340 -0.000 0.000 0.271 206 R C -0.651 175.640 176.300 -0.016 0.000 0.996 206 R CA -0.763 55.330 56.100 -0.012 0.000 0.961 206 R CB 1.568 31.865 30.300 -0.005 0.000 1.182 206 R HN 0.027 nan 8.270 nan 0.000 0.479 207 K N 0.655 121.039 120.400 -0.027 0.000 3.150 207 K HA -0.242 4.078 4.320 -0.000 0.000 0.267 207 K C -0.215 176.360 176.600 -0.041 0.000 1.028 207 K CA 0.575 56.843 56.287 -0.032 0.000 0.753 207 K CB -1.358 31.145 32.500 0.005 0.000 1.288 207 K HN 0.642 nan 8.250 nan 0.000 0.473 208 N N 0.742 119.404 118.700 -0.064 0.000 2.521 208 N HA -0.033 4.707 4.740 -0.000 0.000 0.188 208 N C -0.509 174.962 175.510 -0.065 0.000 1.146 208 N CA 0.027 53.046 53.050 -0.052 0.000 0.893 208 N CB 0.235 38.692 38.487 -0.049 0.000 0.975 208 N HN 0.301 nan 8.380 nan 0.000 0.451 209 N N 1.670 120.295 118.700 -0.124 0.000 2.501 209 N HA 0.227 4.967 4.740 -0.000 0.000 0.245 209 N C -2.847 172.694 175.510 0.053 0.000 0.974 209 N CA -1.286 51.683 53.050 -0.134 0.000 0.941 209 N CB 1.528 39.682 38.487 -0.556 0.000 1.122 209 N HN -0.034 nan 8.380 nan 0.000 0.507 210 P HA 0.079 nan 4.420 nan 0.000 0.268 210 P C -0.444 176.989 177.300 0.222 0.000 1.205 210 P CA -0.323 62.850 63.100 0.122 0.000 0.771 210 P CB 0.672 32.415 31.700 0.072 0.000 0.858 211 L N 4.522 125.820 121.223 0.125 0.000 2.427 211 L HA 0.336 4.676 4.340 -0.000 0.000 0.264 211 L C -1.083 175.726 176.870 -0.101 0.000 0.989 211 L CA -0.321 54.533 54.840 0.024 0.000 0.865 211 L CB 0.525 42.523 42.059 -0.102 0.000 1.209 211 L HN 0.172 nan 8.230 nan 0.000 0.430 212 L N 5.769 126.964 121.223 -0.048 0.000 2.369 212 L HA 0.386 4.726 4.340 -0.000 0.000 0.279 212 L C -0.416 176.364 176.870 -0.149 0.000 1.108 212 L CA -0.385 54.406 54.840 -0.081 0.000 0.852 212 L CB 0.766 42.824 42.059 -0.002 0.000 1.169 212 L HN 0.294 nan 8.230 nan 0.000 0.452 213 V N 3.186 122.947 119.914 -0.256 0.000 2.409 213 V HA 0.892 5.012 4.120 -0.000 0.000 0.291 213 V C 0.442 176.334 176.094 -0.337 0.000 1.020 213 V CA -0.279 61.811 62.300 -0.350 0.000 0.848 213 V CB 1.377 32.832 31.823 -0.613 0.000 0.990 213 V HN 0.954 nan 8.190 nan 0.000 0.430 214 G N 3.448 112.148 108.800 -0.167 0.000 2.466 214 G HA2 0.460 4.420 3.960 -0.000 0.000 0.291 214 G HA3 0.460 4.420 3.960 -0.000 0.000 0.291 214 G C -1.226 173.730 174.900 0.094 0.000 1.460 214 G CA -0.729 44.377 45.100 0.009 0.000 0.791 214 G HN 0.420 nan 8.290 nan 0.000 0.505 215 E N 0.223 120.454 120.200 0.052 0.000 2.410 215 E HA 0.291 4.641 4.350 -0.000 0.000 0.255 215 E C 0.270 176.814 176.600 -0.093 0.000 1.194 215 E CA -0.063 56.248 56.400 -0.149 0.000 0.955 215 E CB 0.616 29.874 29.700 -0.737 0.000 0.988 215 E HN 0.275 nan 8.360 nan 0.000 0.461 216 S N -0.197 115.487 115.700 -0.028 0.000 2.531 216 S HA 0.379 4.849 4.470 -0.000 0.000 0.279 216 S C 1.054 175.707 174.600 0.088 0.000 1.305 216 S CA 0.387 58.622 58.200 0.058 0.000 1.058 216 S CB 0.723 63.982 63.200 0.098 0.000 0.899 216 S HN 0.735 nan 8.310 nan 0.000 0.493 217 G N 1.727 110.572 108.800 0.075 0.000 2.213 217 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.236 217 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.236 217 G C 0.787 175.725 174.900 0.064 0.000 0.991 217 G CA 0.115 45.266 45.100 0.084 0.000 0.629 217 G HN 0.589 nan 8.290 nan 0.000 0.517 218 V N 0.536 120.471 119.914 0.035 0.000 2.626 218 V HA 0.367 4.487 4.120 -0.000 0.000 0.252 218 V C 2.126 178.229 176.094 0.015 0.000 1.067 218 V CA 3.002 65.313 62.300 0.017 0.000 1.081 218 V CB -0.120 31.692 31.823 -0.018 0.000 0.686 218 V HN 2.153 nan 8.190 nan 0.000 0.468 219 G N -0.581 108.230 108.800 0.019 0.000 2.245 219 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.130 219 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.130 219 G C 0.493 175.395 174.900 0.004 0.000 1.040 219 G CA 0.274 45.381 45.100 0.011 0.000 0.713 219 G HN 0.408 nan 8.290 nan 0.000 0.488 220 K N -0.529 119.885 120.400 0.024 0.000 2.031 220 K HA 0.014 4.334 4.320 -0.000 0.000 0.205 220 K C 2.522 179.142 176.600 0.034 0.000 1.049 220 K CA 1.621 57.926 56.287 0.030 0.000 0.939 220 K CB -0.205 32.332 32.500 0.062 0.000 0.717 220 K HN 0.223 nan 8.250 nan 0.000 0.438 221 T N 1.362 115.972 114.554 0.094 0.000 2.788 221 T HA -0.142 4.208 4.350 -0.000 0.000 0.268 221 T C 1.968 176.648 174.700 -0.034 0.000 1.044 221 T CA 1.350 63.515 62.100 0.108 0.000 1.139 221 T CB -0.251 68.723 68.868 0.176 0.000 0.867 221 T HN 0.335 nan 8.240 nan 0.000 0.454 222 A N 0.885 123.695 122.820 -0.017 0.000 1.940 222 A HA -0.033 4.287 4.320 -0.000 0.000 0.219 222 A C 2.235 179.772 177.584 -0.078 0.000 1.176 222 A CA 1.214 53.226 52.037 -0.041 0.000 0.631 222 A CB -0.675 18.311 19.000 -0.023 0.000 0.814 222 A HN 0.548 nan 8.150 nan 0.000 0.446 223 I N -0.681 119.834 120.570 -0.091 0.000 2.286 223 I HA -0.197 3.973 4.170 -0.000 0.000 0.245 223 I C 2.938 178.954 176.117 -0.169 0.000 1.104 223 I CA 0.848 62.087 61.300 -0.102 0.000 1.397 223 I CB -0.259 37.693 38.000 -0.079 0.000 1.072 223 I HN 0.352 nan 8.210 nan 0.000 0.417 224 A N 0.508 123.138 122.820 -0.318 0.000 1.877 224 A HA -0.216 4.104 4.320 -0.000 0.000 0.216 224 A C 2.205 179.579 177.584 -0.349 0.000 1.186 224 A CA 1.622 53.333 52.037 -0.543 0.000 0.620 224 A CB -0.552 17.585 19.000 -1.439 0.000 0.822 224 A HN 0.409 nan 8.150 nan 0.000 0.443 225 E N -0.816 119.233 120.200 -0.252 0.000 2.106 225 E HA -0.102 4.248 4.350 -0.000 0.000 0.192 225 E C 2.079 178.655 176.600 -0.039 0.000 0.984 225 E CA 0.717 57.053 56.400 -0.107 0.000 0.806 225 E CB -0.324 29.344 29.700 -0.053 0.000 0.750 225 E HN 0.618 nan 8.360 nan 0.000 0.458 226 G N 1.248 110.017 108.800 -0.052 0.000 2.443 226 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.219 226 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.219 226 G C 1.531 176.472 174.900 0.069 0.000 1.131 226 G CA 0.240 45.341 45.100 0.001 0.000 0.775 226 G HN 0.128 nan 8.290 nan 0.000 0.547 227 L N 1.323 122.546 121.223 -0.001 0.000 2.093 227 L HA 0.260 4.600 4.340 -0.000 0.000 0.208 227 L C 2.961 179.848 176.870 0.029 0.000 1.085 227 L CA 1.927 56.772 54.840 0.007 0.000 0.755 227 L CB -0.712 41.317 42.059 -0.051 0.000 0.904 227 L HN 0.193 nan 8.230 nan 0.000 0.435 228 A N -1.313 121.516 122.820 0.014 0.000 1.978 228 A HA -0.283 4.037 4.320 -0.000 0.000 0.220 228 A C 2.144 179.771 177.584 0.071 0.000 1.170 228 A CA 1.736 53.781 52.037 0.013 0.000 0.636 228 A CB -1.410 17.587 19.000 -0.004 0.000 0.810 228 A HN 0.742 nan 8.150 nan 0.000 0.448 229 W N 0.684 121.950 121.300 -0.057 0.000 2.409 229 W HA -0.093 4.567 4.660 0.000 0.000 0.299 229 W C 2.308 178.805 176.519 -0.036 0.000 1.203 229 W CA 1.630 58.949 57.345 -0.043 0.000 1.298 229 W CB -0.046 29.394 29.460 -0.034 0.000 1.127 229 W HN 0.230 nan 8.180 nan 0.000 0.528 230 R N -0.094 120.513 120.500 0.178 0.000 2.189 230 R HA -0.109 4.231 4.340 -0.000 0.000 0.223 230 R C 1.928 178.174 176.300 -0.091 0.000 1.092 230 R CA 1.511 57.632 56.100 0.035 0.000 0.989 230 R CB -0.627 29.739 30.300 0.111 0.000 0.876 230 R HN 0.340 nan 8.270 nan 0.000 0.457 231 I N 0.172 120.694 120.570 -0.080 0.000 2.406 231 I HA -0.181 3.989 4.170 -0.000 0.000 0.249 231 I C 2.141 178.168 176.117 -0.150 0.000 1.122 231 I CA 0.854 62.097 61.300 -0.095 0.000 1.431 231 I CB -0.107 37.849 38.000 -0.072 0.000 1.087 231 I HN -0.077 nan 8.210 nan 0.000 0.424 232 V N 0.342 120.128 119.914 -0.214 0.000 2.379 232 V HA -0.198 3.922 4.120 -0.000 0.000 0.245 232 V C 2.260 178.152 176.094 -0.336 0.000 1.044 232 V CA 1.418 63.561 62.300 -0.261 0.000 1.036 232 V CB -0.583 31.061 31.823 -0.299 0.000 0.664 232 V HN 0.436 nan 8.190 nan 0.000 0.453 233 Q N 0.112 119.615 119.800 -0.495 0.000 2.488 233 Q HA 0.060 4.400 4.340 -0.000 0.000 0.211 233 Q C 1.776 177.620 176.000 -0.260 0.000 0.967 233 Q CA 0.905 56.410 55.803 -0.496 0.000 0.926 233 Q CB -0.089 28.163 28.738 -0.811 0.000 0.992 233 Q HN 0.803 nan 8.270 nan 0.000 0.506 234 G N 1.845 110.531 108.800 -0.190 0.000 2.160 234 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.251 234 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.251 234 G C -0.024 174.831 174.900 -0.075 0.000 1.008 234 G CA 0.423 45.456 45.100 -0.112 0.000 0.724 234 G HN 0.386 nan 8.290 nan 0.000 0.514 235 D N -0.115 120.238 120.400 -0.077 0.000 3.179 235 D HA 0.430 5.070 4.640 -0.000 0.000 0.267 235 D C 0.471 176.763 176.300 -0.012 0.000 1.348 235 D CA 0.207 54.193 54.000 -0.023 0.000 0.897 235 D CB 0.375 41.181 40.800 0.011 0.000 1.062 235 D HN 0.388 nan 8.370 nan 0.000 0.494 236 V N 1.961 121.861 119.914 -0.023 0.000 5.734 236 V HA 0.081 4.201 4.120 -0.000 0.000 0.906 236 V C -2.457 173.624 176.094 -0.022 0.000 2.533 236 V CA -0.745 61.544 62.300 -0.017 0.000 4.566 236 V CB 0.758 32.568 31.823 -0.021 0.000 0.488 236 V HN 0.131 nan 8.190 nan 0.000 0.663 237 P HA 0.115 nan 4.420 nan 0.000 0.277 237 P C 1.081 178.369 177.300 -0.019 0.000 1.269 237 P CA 0.858 63.944 63.100 -0.023 0.000 0.840 237 P CB 0.426 32.115 31.700 -0.018 0.000 1.156 238 E N -2.188 118.001 120.200 -0.019 0.000 4.560 238 E HA -0.340 4.010 4.350 -0.000 0.000 0.192 238 E C 1.040 177.631 176.600 -0.015 0.000 1.355 238 E CA 2.684 59.075 56.400 -0.016 0.000 2.225 238 E CB -1.271 28.422 29.700 -0.012 0.000 1.915 238 E HN 0.371 nan 8.360 nan 0.000 0.298 239 V N -2.143 117.763 119.914 -0.014 0.000 3.643 239 V HA 0.325 4.445 4.120 -0.000 0.000 0.280 239 V C 1.452 177.538 176.094 -0.013 0.000 1.351 239 V CA 1.086 63.379 62.300 -0.012 0.000 1.073 239 V CB 0.637 32.454 31.823 -0.009 0.000 0.863 239 V HN 0.289 nan 8.190 nan 0.000 0.436 240 M N 0.725 120.315 119.600 -0.017 0.000 2.673 240 M HA 0.617 5.097 4.480 -0.000 0.000 0.334 240 M C 1.444 177.727 176.300 -0.028 0.000 1.211 240 M CA 0.448 55.736 55.300 -0.019 0.000 0.962 240 M CB 0.563 33.152 32.600 -0.018 0.000 1.343 240 M HN 0.394 nan 8.290 nan 0.000 0.511 241 A N -0.308 122.495 122.820 -0.029 0.000 1.935 241 A HA -0.007 4.313 4.320 -0.000 0.000 0.214 241 A C 1.056 178.617 177.584 -0.038 0.000 1.178 241 A CA 1.085 53.099 52.037 -0.038 0.000 0.640 241 A CB -0.123 18.856 19.000 -0.035 0.000 0.825 241 A HN 0.500 nan 8.150 nan 0.000 0.447 242 D N -0.316 120.068 120.400 -0.027 0.000 2.344 242 D HA 0.153 4.793 4.640 -0.000 0.000 0.242 242 D C -0.276 176.012 176.300 -0.021 0.000 1.159 242 D CA 0.020 54.007 54.000 -0.022 0.000 0.859 242 D CB -0.590 40.204 40.800 -0.010 0.000 0.925 242 D HN 0.253 nan 8.370 nan 0.000 0.510 243 C N 0.204 119.484 119.300 -0.032 0.000 2.401 243 C HA 0.625 5.085 4.460 -0.000 0.000 0.365 243 C C 0.797 175.741 174.990 -0.076 0.000 1.250 243 C CA -0.604 58.392 59.018 -0.037 0.000 2.131 243 C CB 0.827 28.549 27.740 -0.030 0.000 2.445 243 C HN 0.248 nan 8.230 nan 0.000 0.550 244 T N 3.557 118.047 114.554 -0.107 0.000 2.921 244 T HA 0.583 4.933 4.350 -0.000 0.000 0.297 244 T C -0.983 173.510 174.700 -0.346 0.000 1.013 244 T CA -0.441 61.502 62.100 -0.262 0.000 0.990 244 T CB 0.375 69.025 68.868 -0.365 0.000 1.023 244 T HN 0.517 nan 8.240 nan 0.000 0.447 245 I N 5.733 126.115 120.570 -0.313 0.000 2.307 245 I HA 0.296 4.466 4.170 -0.000 0.000 0.287 245 I C -0.779 175.225 176.117 -0.190 0.000 1.054 245 I CA -0.875 60.325 61.300 -0.168 0.000 1.218 245 I CB 0.349 38.311 38.000 -0.064 0.000 1.398 245 I HN 0.641 nan 8.210 nan 0.000 0.475 246 Y N 3.954 124.303 120.300 0.082 0.000 2.327 246 Y HA 0.210 4.760 4.550 -0.000 0.000 0.336 246 Y C 0.945 176.919 175.900 0.123 0.000 1.035 246 Y CA -0.212 57.936 58.100 0.080 0.000 1.165 246 Y CB 1.305 39.787 38.460 0.037 0.000 1.181 246 Y HN 0.455 nan 8.280 nan 0.000 0.494 247 S N 4.736 120.596 115.700 0.266 0.000 2.438 247 S HA 0.398 4.868 4.470 -0.000 0.000 0.293 247 S C -0.509 174.151 174.600 0.099 0.000 1.141 247 S CA -0.721 57.619 58.200 0.233 0.000 1.080 247 S CB 0.096 63.477 63.200 0.301 0.000 0.978 247 S HN 0.581 nan 8.310 nan 0.000 0.479 248 L N 4.044 125.266 121.223 -0.002 0.000 2.482 248 L HA 0.510 4.850 4.340 -0.000 0.000 0.242 248 L C -0.449 176.317 176.870 -0.173 0.000 1.210 248 L CA 0.303 55.111 54.840 -0.054 0.000 0.819 248 L CB 0.615 42.666 42.059 -0.013 0.000 1.203 248 L HN 0.614 nan 8.230 nan 0.000 0.495 249 D N 2.563 122.807 120.400 -0.259 0.000 2.303 249 D HA 0.348 4.988 4.640 -0.000 0.000 0.236 249 D C 0.331 176.410 176.300 -0.368 0.000 1.068 249 D CA -0.228 53.425 54.000 -0.578 0.000 0.830 249 D CB 2.238 42.316 40.800 -1.204 0.000 1.109 249 D HN 0.279 nan 8.370 nan 0.000 0.496 250 I N -0.284 120.095 120.570 -0.318 0.000 3.075 250 I HA 0.271 4.441 4.170 -0.000 0.000 0.279 250 I C 0.958 176.986 176.117 -0.148 0.000 0.981 250 I CA 0.105 61.286 61.300 -0.198 0.000 2.020 250 I CB 0.028 37.907 38.000 -0.201 0.000 1.756 250 I HN 0.483 nan 8.210 nan 0.000 0.415 256 G N 0.118 108.882 108.800 -0.060 0.000 2.661 256 G HA2 0.484 4.444 3.960 -0.000 0.000 0.262 256 G HA3 0.484 4.444 3.960 -0.000 0.000 0.262 256 G C -0.495 174.329 174.900 -0.126 0.000 1.310 256 G CA 0.260 45.290 45.100 -0.115 0.000 1.160 256 G HN 1.599 nan 8.290 nan 0.000 0.598 257 T N 0.939 115.354 114.554 -0.232 0.000 3.029 257 T HA 0.670 5.020 4.350 -0.000 0.000 0.346 257 T C -0.213 174.353 174.700 -0.223 0.000 1.211 257 T CA -0.372 61.608 62.100 -0.201 0.000 1.009 257 T CB 0.214 68.943 68.868 -0.232 0.000 1.084 257 T HN 0.720 nan 8.240 nan 0.000 0.536 258 K N 4.719 125.067 120.400 -0.086 0.000 2.805 258 K HA 0.173 4.493 4.320 -0.000 0.000 0.276 258 K C -1.290 175.268 176.600 -0.069 0.000 1.209 258 K CA -0.512 55.745 56.287 -0.049 0.000 1.065 258 K CB 0.676 33.110 32.500 -0.111 0.000 1.363 258 K HN 0.555 nan 8.250 nan 0.000 0.546 259 Y N 1.541 121.861 120.300 0.033 0.000 2.439 259 Y HA 0.340 4.890 4.550 -0.000 0.000 0.281 259 Y C 0.462 176.386 175.900 0.041 0.000 1.145 259 Y CA 0.323 58.443 58.100 0.033 0.000 1.252 259 Y CB 0.906 39.391 38.460 0.042 0.000 1.271 259 Y HN 0.387 nan 8.280 nan 0.000 0.516 260 R N -1.449 119.194 120.500 0.239 0.000 2.633 260 R HA 0.449 4.789 4.340 -0.000 0.000 0.255 260 R C -0.502 175.879 176.300 0.136 0.000 1.106 260 R CA 0.493 56.684 56.100 0.152 0.000 0.959 260 R CB 1.484 31.866 30.300 0.137 0.000 1.259 260 R HN 0.373 nan 8.270 nan 0.000 0.453 261 G N 2.263 111.128 108.800 0.107 0.000 2.318 261 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.172 261 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.172 261 G C -0.570 174.386 174.900 0.093 0.000 1.002 261 G CA -0.115 45.041 45.100 0.094 0.000 0.697 261 G HN 0.884 nan 8.290 nan 0.000 0.483 262 D N -1.757 118.709 120.400 0.109 0.000 3.908 262 D HA -0.195 4.445 4.640 -0.000 0.000 0.237 262 D C 0.633 177.019 176.300 0.143 0.000 1.091 262 D CA 1.059 55.126 54.000 0.111 0.000 1.147 262 D CB -1.273 39.570 40.800 0.072 0.000 0.857 262 D HN 0.574 nan 8.370 nan 0.000 0.410 263 F N 2.246 122.213 119.950 0.027 0.000 2.192 263 F HA -0.172 4.355 4.527 -0.000 0.000 0.301 263 F C 1.964 177.787 175.800 0.037 0.000 1.079 263 F CA 2.044 60.057 58.000 0.021 0.000 1.303 263 F CB 0.119 39.088 39.000 -0.052 0.000 1.024 263 F HN 0.486 nan 8.300 nan 0.000 0.494 264 E N -0.300 120.008 120.200 0.180 0.000 2.077 264 E HA -0.233 4.117 4.350 -0.000 0.000 0.193 264 E C 1.976 178.618 176.600 0.069 0.000 0.989 264 E CA 1.326 57.798 56.400 0.120 0.000 0.800 264 E CB -0.243 29.517 29.700 0.100 0.000 0.746 264 E HN 0.397 nan 8.360 nan 0.000 0.452 265 K N 0.380 120.809 120.400 0.047 0.000 2.314 265 K HA 0.079 4.399 4.320 -0.000 0.000 0.198 265 K C 2.078 178.681 176.600 0.005 0.000 1.045 265 K CA 0.163 56.466 56.287 0.027 0.000 0.988 265 K CB 0.308 32.822 32.500 0.024 0.000 0.783 265 K HN -0.028 nan 8.250 nan 0.000 0.484 266 R N -0.888 119.605 120.500 -0.012 0.000 2.100 266 R HA 0.005 4.345 4.340 -0.000 0.000 0.220 266 R C 1.782 178.042 176.300 -0.068 0.000 1.091 266 R CA 0.855 56.929 56.100 -0.043 0.000 0.986 266 R CB -0.209 30.061 30.300 -0.050 0.000 0.888 266 R HN 0.070 nan 8.270 nan 0.000 0.444 267 F N 2.246 122.029 119.950 -0.279 0.000 2.163 267 F HA -0.074 4.453 4.527 -0.000 0.000 0.297 267 F C 2.481 178.196 175.800 -0.140 0.000 1.094 267 F CA 1.347 59.181 58.000 -0.277 0.000 1.290 267 F CB 0.001 38.761 39.000 -0.399 0.000 1.017 267 F HN -0.168 nan 8.300 nan 0.000 0.483 268 K N 0.034 120.475 120.400 0.069 0.000 2.097 268 K HA -0.156 4.164 4.320 -0.000 0.000 0.206 268 K C 2.110 178.686 176.600 -0.039 0.000 1.049 268 K CA 1.225 57.528 56.287 0.028 0.000 0.933 268 K CB -0.253 32.271 32.500 0.040 0.000 0.717 268 K HN 0.247 nan 8.250 nan 0.000 0.442 269 A N 0.986 123.771 122.820 -0.058 0.000 1.968 269 A HA -0.083 4.237 4.320 -0.000 0.000 0.217 269 A C 1.944 179.453 177.584 -0.125 0.000 1.169 269 A CA 0.932 52.924 52.037 -0.075 0.000 0.638 269 A CB -0.389 18.575 19.000 -0.060 0.000 0.812 269 A HN 0.382 nan 8.150 nan 0.000 0.446 270 L N -0.176 120.929 121.223 -0.197 0.000 2.023 270 L HA -0.004 4.336 4.340 -0.000 0.000 0.205 270 L C 2.133 178.840 176.870 -0.271 0.000 1.073 270 L CA 1.696 56.369 54.840 -0.277 0.000 0.745 270 L CB -0.633 41.163 42.059 -0.438 0.000 0.900 270 L HN 0.350 nan 8.230 nan 0.000 0.435 271 L N -0.317 120.741 121.223 -0.275 0.000 2.131 271 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 271 L C 2.599 179.400 176.870 -0.115 0.000 1.092 271 L CA 1.456 56.184 54.840 -0.187 0.000 0.759 271 L CB -0.646 41.338 42.059 -0.124 0.000 0.903 271 L HN 0.344 nan 8.230 nan 0.000 0.435 272 K N 0.065 120.405 120.400 -0.099 0.000 2.228 272 K HA -0.172 4.148 4.320 -0.000 0.000 0.202 272 K C 2.138 178.690 176.600 -0.080 0.000 1.051 272 K CA 0.829 57.075 56.287 -0.069 0.000 0.960 272 K CB 0.190 32.660 32.500 -0.050 0.000 0.743 272 K HN 0.235 nan 8.250 nan 0.000 0.458 273 Q N 0.256 119.989 119.800 -0.110 0.000 2.269 273 Q HA 0.041 4.381 4.340 -0.000 0.000 0.201 273 Q C 1.604 177.519 176.000 -0.141 0.000 0.946 273 Q CA 0.501 56.234 55.803 -0.117 0.000 0.877 273 Q CB 0.260 28.917 28.738 -0.134 0.000 0.963 273 Q HN 0.297 nan 8.270 nan 0.000 0.472 274 L N 0.519 121.645 121.223 -0.162 0.000 2.552 274 L HA 0.060 4.400 4.340 -0.000 0.000 0.227 274 L C 0.600 177.424 176.870 -0.077 0.000 1.146 274 L CA 0.490 55.234 54.840 -0.161 0.000 0.858 274 L CB 0.205 42.166 42.059 -0.163 0.000 0.969 274 L HN 0.175 nan 8.230 nan 0.000 0.451 275 E N 0.180 120.341 120.200 -0.065 0.000 2.331 275 E HA 0.134 4.484 4.350 -0.000 0.000 0.243 275 E C -0.329 176.253 176.600 -0.030 0.000 0.925 275 E CA -0.097 56.281 56.400 -0.036 0.000 0.760 275 E CB 1.109 30.790 29.700 -0.031 0.000 1.254 275 E HN 0.005 nan 8.360 nan 0.000 0.419 276 Q N 2.453 122.240 119.800 -0.021 0.000 2.127 276 Q HA 0.166 4.506 4.340 -0.000 0.000 0.222 276 Q C -1.397 174.598 176.000 -0.008 0.000 0.794 276 Q CA 0.012 55.806 55.803 -0.016 0.000 1.010 276 Q CB 0.717 29.445 28.738 -0.017 0.000 1.170 276 Q HN 0.573 nan 8.270 nan 0.000 0.479 277 D N 0.321 120.718 120.400 -0.005 0.000 3.826 277 D HA -0.076 4.564 4.640 -0.000 0.000 0.233 277 D C -1.163 175.141 176.300 0.007 0.000 1.047 277 D CA 0.944 54.944 54.000 0.000 0.000 1.052 277 D CB -1.064 39.736 40.800 -0.001 0.000 0.840 277 D HN 0.236 nan 8.370 nan 0.000 0.389 278 T N 0.331 114.893 114.554 0.014 0.000 2.816 278 T HA 0.430 4.780 4.350 -0.000 0.000 0.299 278 T C 0.126 174.844 174.700 0.030 0.000 1.230 278 T CA -0.840 61.276 62.100 0.026 0.000 1.007 278 T CB 1.626 70.521 68.868 0.044 0.000 1.289 278 T HN 0.054 nan 8.240 nan 0.000 0.508 279 N N 1.744 120.463 118.700 0.033 0.000 3.234 279 N HA 0.331 5.071 4.740 -0.000 0.000 0.272 279 N C -0.916 174.623 175.510 0.049 0.000 1.254 279 N CA -0.157 52.910 53.050 0.029 0.000 1.087 279 N CB 0.182 38.676 38.487 0.013 0.000 1.356 279 N HN 0.587 nan 8.380 nan 0.000 0.511 280 S N 2.211 117.960 115.700 0.081 0.000 2.437 280 S HA 0.555 5.025 4.470 -0.000 0.000 0.305 280 S C -0.217 174.462 174.600 0.131 0.000 1.109 280 S CA -0.726 57.565 58.200 0.151 0.000 1.099 280 S CB 0.284 63.631 63.200 0.245 0.000 1.004 280 S HN 0.293 nan 8.310 nan 0.000 0.475 281 I N 4.412 125.055 120.570 0.122 0.000 2.412 281 I HA 0.433 4.603 4.170 -0.000 0.000 0.296 281 I C -0.737 175.489 176.117 0.182 0.000 0.987 281 I CA -1.003 60.365 61.300 0.115 0.000 1.180 281 I CB 1.742 39.783 38.000 0.068 0.000 1.340 281 I HN 0.491 nan 8.210 nan 0.000 0.455 282 L N 7.220 128.554 121.223 0.184 0.000 2.295 282 L HA 0.437 4.777 4.340 -0.000 0.000 0.281 282 L C -0.932 176.094 176.870 0.260 0.000 1.018 282 L CA -0.246 54.722 54.840 0.213 0.000 0.841 282 L CB 0.846 42.987 42.059 0.138 0.000 1.218 282 L HN 0.367 nan 8.230 nan 0.000 0.424 283 F N 6.782 126.794 119.950 0.103 0.000 2.444 283 F HA 0.467 4.994 4.527 -0.000 0.000 0.360 283 F C -0.247 175.609 175.800 0.094 0.000 1.106 283 F CA -0.914 57.140 58.000 0.091 0.000 1.170 283 F CB 0.327 39.366 39.000 0.064 0.000 1.113 283 F HN 0.343 nan 8.300 nan 0.000 0.521 284 I N 6.122 126.497 120.570 -0.325 0.000 2.412 284 I HA 0.114 4.284 4.170 -0.000 0.000 0.279 284 I C -0.185 175.533 176.117 -0.666 0.000 1.063 284 I CA -0.721 60.350 61.300 -0.382 0.000 1.193 284 I CB 0.353 38.331 38.000 -0.036 0.000 1.370 284 I HN 0.424 nan 8.210 nan 0.000 0.479 285 D N 6.317 126.086 120.400 -1.052 0.000 2.455 285 D HA -0.007 4.633 4.640 -0.000 0.000 0.241 285 D C 0.413 176.509 176.300 -0.341 0.000 1.138 285 D CA 0.666 54.236 54.000 -0.717 0.000 0.877 285 D CB 0.668 41.171 40.800 -0.495 0.000 1.187 285 D HN 0.507 nan 8.370 nan 0.000 0.451 286 E N 1.870 121.943 120.200 -0.211 0.000 2.230 286 E HA -0.263 4.087 4.350 -0.000 0.000 0.206 286 E C 0.946 177.292 176.600 -0.424 0.000 1.309 286 E CA -0.046 56.177 56.400 -0.295 0.000 0.697 286 E CB -1.343 28.188 29.700 -0.282 0.000 1.146 286 E HN 0.556 nan 8.360 nan 0.000 0.363 287 I N 0.744 121.181 120.570 -0.221 0.000 2.850 287 I HA -0.242 3.928 4.170 -0.000 0.000 0.266 287 I C 2.128 178.219 176.117 -0.043 0.000 1.257 287 I CA 1.586 62.825 61.300 -0.102 0.000 1.465 287 I CB -0.050 37.951 38.000 0.002 0.000 1.091 287 I HN 0.416 nan 8.210 nan 0.000 0.467 288 H N -2.176 116.936 119.070 0.070 0.000 2.559 288 H HA 0.020 4.576 4.556 -0.000 0.000 0.273 288 H C 1.797 177.122 175.328 -0.005 0.000 1.000 288 H CA 1.069 57.162 56.048 0.075 0.000 1.195 288 H CB -0.898 28.921 29.762 0.094 0.000 1.368 288 H HN 0.088 nan 8.280 nan 0.000 0.592 289 T N 0.752 115.183 114.554 -0.205 0.000 2.732 289 T HA 0.029 4.379 4.350 -0.000 0.000 0.261 289 T C 1.998 176.615 174.700 -0.138 0.000 1.040 289 T CA 1.389 63.414 62.100 -0.125 0.000 1.145 289 T CB -0.076 68.684 68.868 -0.180 0.000 0.866 289 T HN 0.294 nan 8.240 nan 0.000 0.427 290 I N 1.058 121.531 120.570 -0.162 0.000 2.141 290 I HA 0.077 4.247 4.170 -0.000 0.000 0.236 290 I C 1.249 177.248 176.117 -0.197 0.000 1.071 290 I CA 0.797 61.957 61.300 -0.234 0.000 1.345 290 I CB -0.180 37.720 38.000 -0.166 0.000 1.066 290 I HN 0.289 nan 8.210 nan 0.000 0.406 291 I N -1.490 119.000 120.570 -0.135 0.000 2.664 291 I HA 0.621 4.791 4.170 -0.000 0.000 0.308 291 I C 1.035 177.054 176.117 -0.164 0.000 0.984 291 I CA 0.070 61.272 61.300 -0.164 0.000 1.213 291 I CB 1.653 39.536 38.000 -0.194 0.000 1.379 291 I HN 0.415 nan 8.210 nan 0.000 0.501 292 G N 3.391 112.069 108.800 -0.204 0.000 2.640 292 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.226 292 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.226 292 G C 1.094 175.941 174.900 -0.087 0.000 1.222 292 G CA 0.639 45.636 45.100 -0.171 0.000 0.729 292 G HN 1.368 nan 8.290 nan 0.000 0.516 293 A N 0.986 123.773 122.820 -0.055 0.000 2.168 293 A HA 0.543 4.863 4.320 -0.000 0.000 0.215 293 A C 2.164 179.708 177.584 -0.066 0.000 1.152 293 A CA 1.880 53.893 52.037 -0.039 0.000 0.716 293 A CB -0.702 18.294 19.000 -0.007 0.000 0.794 293 A HN 2.690 nan 8.150 nan 0.000 0.465 294 G N -1.202 107.543 108.800 -0.092 0.000 3.429 294 G HA2 0.310 4.270 3.960 -0.000 0.000 0.605 294 G HA3 0.310 4.270 3.960 -0.000 0.000 0.605 294 G C 0.085 174.918 174.900 -0.112 0.000 0.973 294 G CA -0.008 45.034 45.100 -0.096 0.000 0.774 294 G HN 1.409 nan 8.290 nan 0.000 0.422 295 A N 2.212 124.948 122.820 -0.141 0.000 2.275 295 A HA 1.004 5.324 4.320 -0.000 0.000 0.282 295 A C 1.676 179.181 177.584 -0.130 0.000 1.275 295 A CA 0.665 52.600 52.037 -0.168 0.000 0.842 295 A CB 0.473 19.326 19.000 -0.245 0.000 1.280 295 A HN 2.377 nan 8.150 nan 0.000 0.508 296 A N -0.756 121.984 122.820 -0.134 0.000 1.887 296 A HA 0.342 4.662 4.320 -0.000 0.000 0.210 296 A C 1.681 179.218 177.584 -0.079 0.000 1.221 296 A CA 1.455 53.431 52.037 -0.101 0.000 0.635 296 A CB -1.092 17.845 19.000 -0.106 0.000 0.881 296 A HN 1.377 nan 8.150 nan 0.000 0.456 297 S N -1.093 114.561 115.700 -0.077 0.000 2.647 297 S HA 0.617 5.087 4.470 -0.000 0.000 0.284 297 S C 1.021 175.593 174.600 -0.046 0.000 1.134 297 S CA -0.094 58.079 58.200 -0.045 0.000 1.027 297 S CB 0.251 63.441 63.200 -0.017 0.000 1.180 297 S HN 0.696 nan 8.310 nan 0.000 0.521 298 G N -0.759 108.032 108.800 -0.015 0.000 2.735 298 G HA2 0.481 4.441 3.960 -0.000 0.000 0.192 298 G HA3 0.481 4.441 3.960 -0.000 0.000 0.192 298 G C 1.043 175.952 174.900 0.014 0.000 1.547 298 G CA -0.088 45.008 45.100 -0.007 0.000 1.080 298 G HN 1.837 nan 8.290 nan 0.000 0.569 299 G N -1.572 107.254 108.800 0.044 0.000 3.729 299 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.327 299 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.327 299 G C 1.748 176.686 174.900 0.063 0.000 1.293 299 G CA 3.101 48.257 45.100 0.093 0.000 1.011 299 G HN 1.984 nan 8.290 nan 0.000 0.673 300 Q N -1.341 118.495 119.800 0.061 0.000 2.748 300 Q HA -0.376 3.964 4.340 -0.000 0.000 0.481 300 Q C 3.315 179.272 176.000 -0.073 0.000 0.492 300 Q CA 5.065 60.800 55.803 -0.114 0.000 1.018 300 Q CB -1.624 26.915 28.738 -0.330 0.000 1.624 300 Q HN 2.094 nan 8.270 nan 0.000 1.119 301 V N 1.386 121.247 119.914 -0.088 0.000 2.343 301 V HA -0.249 3.871 4.120 -0.000 0.000 0.247 301 V C 2.189 178.283 176.094 0.000 0.000 1.051 301 V CA 2.728 65.000 62.300 -0.048 0.000 1.036 301 V CB -1.282 30.493 31.823 -0.080 0.000 0.654 301 V HN 0.867 nan 8.190 nan 0.000 0.451 302 D N 1.536 121.934 120.400 -0.004 0.000 2.182 302 D HA -0.118 4.522 4.640 -0.000 0.000 0.201 302 D C 1.934 178.262 176.300 0.048 0.000 0.986 302 D CA 1.505 55.515 54.000 0.016 0.000 0.847 302 D CB -0.290 40.516 40.800 0.009 0.000 0.942 302 D HN 0.523 nan 8.370 nan 0.000 0.467 303 A N 0.273 123.136 122.820 0.073 0.000 2.095 303 A HA 0.465 4.785 4.320 -0.000 0.000 0.212 303 A C 2.131 179.812 177.584 0.162 0.000 1.162 303 A CA 0.790 52.899 52.037 0.121 0.000 0.753 303 A CB -0.170 18.930 19.000 0.167 0.000 0.840 303 A HN 0.224 nan 8.150 nan 0.000 0.468 304 A N -0.201 122.715 122.820 0.160 0.000 2.072 304 A HA -0.014 4.306 4.320 -0.000 0.000 0.216 304 A C 1.835 179.504 177.584 0.143 0.000 1.156 304 A CA 1.234 53.391 52.037 0.200 0.000 0.701 304 A CB -0.369 18.763 19.000 0.219 0.000 0.816 304 A HN 0.435 nan 8.150 nan 0.000 0.458 305 N N 0.034 118.794 118.700 0.101 0.000 2.416 305 N HA 0.044 4.784 4.740 -0.000 0.000 0.177 305 N C 1.536 177.082 175.510 0.059 0.000 1.036 305 N CA 0.504 53.601 53.050 0.078 0.000 0.901 305 N CB -0.246 38.273 38.487 0.053 0.000 0.976 305 N HN 0.490 nan 8.380 nan 0.000 0.444 306 L N 0.860 122.120 121.223 0.062 0.000 1.970 306 L HA -0.130 4.210 4.340 -0.000 0.000 0.212 306 L C 1.778 178.672 176.870 0.039 0.000 1.071 306 L CA 1.012 55.881 54.840 0.048 0.000 0.751 306 L CB -0.342 41.750 42.059 0.054 0.000 0.889 306 L HN 0.158 nan 8.230 nan 0.000 0.432 307 I N -1.317 119.281 120.570 0.047 0.000 3.444 307 I HA -0.147 4.023 4.170 -0.000 0.000 0.287 307 I C 1.939 178.065 176.117 0.016 0.000 1.302 307 I CA 0.842 62.160 61.300 0.030 0.000 1.368 307 I CB -1.018 37.001 38.000 0.031 0.000 1.048 307 I HN 0.282 nan 8.210 nan 0.000 0.487 308 K N 1.104 121.513 120.400 0.014 0.000 2.148 308 K HA -0.045 4.275 4.320 -0.000 0.000 0.204 308 K C -0.729 175.859 176.600 -0.020 0.000 1.050 308 K CA 1.259 57.537 56.287 -0.016 0.000 0.942 308 K CB -0.550 31.928 32.500 -0.036 0.000 0.724 308 K HN 0.404 nan 8.250 nan 0.000 0.446 309 P HA 0.113 nan 4.420 nan 0.000 0.187 309 P C -1.000 176.299 177.300 -0.002 0.000 1.106 309 P CA -0.042 63.055 63.100 -0.005 0.000 0.793 309 P CB 0.629 32.331 31.700 0.002 0.000 0.787 310 L N -0.660 120.565 121.223 0.003 0.000 2.595 310 L HA 0.390 4.730 4.340 -0.000 0.000 0.259 310 L C -0.964 175.909 176.870 0.006 0.000 1.033 310 L CA 0.221 55.062 54.840 0.003 0.000 0.901 310 L CB 0.654 42.714 42.059 0.001 0.000 1.151 310 L HN -0.107 nan 8.230 nan 0.000 0.453 311 L N 2.323 123.551 121.223 0.008 0.000 3.202 311 L HA 0.561 4.901 4.340 -0.000 0.000 0.278 311 L C 0.260 177.134 176.870 0.008 0.000 1.268 311 L CA 0.328 55.174 54.840 0.009 0.000 1.034 311 L CB 0.735 42.802 42.059 0.014 0.000 1.407 311 L HN 0.627 nan 8.230 nan 0.000 0.581 312 S N -1.602 114.100 115.700 0.005 0.000 2.755 312 S HA 0.299 4.769 4.470 -0.000 0.000 0.286 312 S C -0.581 174.019 174.600 -0.000 0.000 1.207 312 S CA 0.014 58.215 58.200 0.002 0.000 0.892 312 S CB 0.994 64.194 63.200 0.001 0.000 1.240 312 S HN 0.011 nan 8.310 nan 0.000 0.525 313 S N 0.745 116.444 115.700 -0.002 0.000 3.208 313 S HA 0.690 5.160 4.470 -0.000 0.000 0.195 313 S C 0.313 174.910 174.600 -0.004 0.000 1.394 313 S CA 0.140 58.339 58.200 -0.003 0.000 1.127 313 S CB -0.380 62.818 63.200 -0.003 0.000 1.282 313 S HN 1.446 nan 8.310 nan 0.000 0.513 314 G N 0.458 109.256 108.800 -0.003 0.000 2.315 314 G HA2 0.451 4.411 3.960 -0.000 0.000 0.294 314 G HA3 0.451 4.411 3.960 -0.000 0.000 0.294 314 G C -2.136 172.763 174.900 -0.002 0.000 1.300 314 G CA -0.945 44.153 45.100 -0.003 0.000 0.843 314 G HN 0.412 nan 8.290 nan 0.000 0.527 315 K N -0.701 119.698 120.400 -0.002 0.000 2.551 315 K HA 0.674 4.994 4.320 -0.000 0.000 0.269 315 K C -0.994 175.607 176.600 0.001 0.000 0.949 315 K CA -0.918 55.367 56.287 -0.002 0.000 0.849 315 K CB 2.255 34.752 32.500 -0.005 0.000 1.411 315 K HN 0.919 nan 8.250 nan 0.000 0.432 316 I N -0.885 119.686 120.570 0.001 0.000 2.892 316 I HA 0.644 4.814 4.170 -0.000 0.000 0.306 316 I C -1.115 175.004 176.117 0.004 0.000 1.078 316 I CA -1.173 60.133 61.300 0.010 0.000 1.032 316 I CB 2.278 40.286 38.000 0.014 0.000 1.229 316 I HN 0.444 nan 8.210 nan 0.000 0.435 317 R N 2.757 123.269 120.500 0.019 0.000 2.637 317 R HA 0.799 5.139 4.340 -0.000 0.000 0.291 317 R C -1.424 174.905 176.300 0.049 0.000 0.963 317 R CA -0.754 55.352 56.100 0.009 0.000 0.901 317 R CB 2.531 32.838 30.300 0.012 0.000 1.160 317 R HN 0.544 nan 8.270 nan 0.000 0.457 318 V N 4.617 124.556 119.914 0.042 0.000 2.588 318 V HA 0.458 4.578 4.120 -0.000 0.000 0.304 318 V C -0.449 175.781 176.094 0.227 0.000 1.042 318 V CA -0.690 61.699 62.300 0.148 0.000 0.877 318 V CB 2.042 33.985 31.823 0.199 0.000 0.996 318 V HN 0.621 nan 8.190 nan 0.000 0.425 319 I N 4.027 124.781 120.570 0.306 0.000 2.321 319 I HA 0.608 4.778 4.170 -0.000 0.000 0.291 319 I C 0.795 177.186 176.117 0.457 0.000 0.998 319 I CA -0.052 61.469 61.300 0.368 0.000 1.227 319 I CB 1.590 39.796 38.000 0.343 0.000 1.368 319 I HN 0.718 nan 8.210 nan 0.000 0.466 320 G N 3.237 112.266 108.800 0.380 0.000 2.471 320 G HA2 0.584 4.544 3.960 -0.000 0.000 0.332 320 G HA3 0.584 4.544 3.960 -0.000 0.000 0.332 320 G C -1.214 173.781 174.900 0.159 0.000 1.176 320 G CA -0.422 44.802 45.100 0.206 0.000 0.949 320 G HN 0.464 nan 8.290 nan 0.000 0.488 321 S N -0.936 114.799 115.700 0.058 0.000 2.619 321 S HA 0.742 5.212 4.470 -0.000 0.000 0.280 321 S C -0.637 173.976 174.600 0.022 0.000 1.150 321 S CA -0.390 57.853 58.200 0.072 0.000 0.978 321 S CB 1.788 65.096 63.200 0.181 0.000 1.041 321 S HN 0.970 nan 8.310 nan 0.000 0.485 322 T N 1.899 116.461 114.554 0.012 0.000 2.762 322 T HA 0.703 5.053 4.350 -0.000 0.000 0.301 322 T C -0.596 174.131 174.700 0.046 0.000 1.299 322 T CA -0.220 61.940 62.100 0.099 0.000 1.005 322 T CB 1.300 70.193 68.868 0.042 0.000 1.377 322 T HN 0.799 nan 8.240 nan 0.000 0.504 323 T N 0.374 114.973 114.554 0.076 0.000 2.912 323 T HA 0.447 4.797 4.350 -0.000 0.000 0.280 323 T C 0.804 175.570 174.700 0.110 0.000 0.989 323 T CA -0.485 61.660 62.100 0.075 0.000 0.995 323 T CB 0.521 69.428 68.868 0.065 0.000 1.077 323 T HN 0.571 nan 8.240 nan 0.000 0.531 324 Y N 0.605 120.912 120.300 0.010 0.000 2.114 324 Y HA -0.181 4.369 4.550 0.000 0.000 0.282 324 Y C 3.058 179.033 175.900 0.124 0.000 1.165 324 Y CA 1.934 60.078 58.100 0.073 0.000 1.148 324 Y CB -0.415 38.062 38.460 0.029 0.000 0.972 324 Y HN 0.687 nan 8.280 nan 0.000 0.504 325 Q N -0.706 119.230 119.800 0.225 0.000 2.163 325 Q HA -0.124 4.216 4.340 -0.000 0.000 0.198 325 Q C 1.888 177.922 176.000 0.056 0.000 0.954 325 Q CA 1.107 56.979 55.803 0.115 0.000 0.851 325 Q CB -0.023 28.751 28.738 0.060 0.000 0.928 325 Q HN 0.522 nan 8.270 nan 0.000 0.459 326 E N -0.151 120.071 120.200 0.036 0.000 2.418 326 E HA -0.131 4.219 4.350 -0.000 0.000 0.197 326 E C 1.272 177.939 176.600 0.112 0.000 1.026 326 E CA 0.374 56.778 56.400 0.006 0.000 0.862 326 E CB 0.091 29.692 29.700 -0.164 0.000 0.799 326 E HN 0.303 nan 8.360 nan 0.000 0.518 327 F N 0.423 120.353 119.950 -0.033 0.000 2.262 327 F HA 0.041 4.568 4.527 -0.000 0.000 0.292 327 F C 2.104 177.916 175.800 0.020 0.000 1.081 327 F CA 0.747 58.688 58.000 -0.098 0.000 1.355 327 F CB -0.252 38.602 39.000 -0.244 0.000 1.069 327 F HN -0.196 nan 8.300 nan 0.000 0.506 328 S N 1.430 116.890 115.700 -0.401 0.000 2.354 328 S HA -0.198 4.272 4.470 -0.000 0.000 0.219 328 S C 1.661 176.082 174.600 -0.298 0.000 1.035 328 S CA 1.898 59.834 58.200 -0.441 0.000 1.037 328 S CB -0.457 62.691 63.200 -0.087 0.000 0.956 328 S HN 0.520 nan 8.310 nan 0.000 0.428 329 N N 0.950 119.566 118.700 -0.139 0.000 2.420 329 N HA 0.160 4.900 4.740 -0.000 0.000 0.185 329 N C 1.846 177.320 175.510 -0.060 0.000 1.033 329 N CA 0.781 53.779 53.050 -0.087 0.000 0.879 329 N CB -0.552 37.906 38.487 -0.049 0.000 1.071 329 N HN 0.462 nan 8.380 nan 0.000 0.437 330 I N -1.232 119.323 120.570 -0.024 0.000 2.676 330 I HA -0.042 4.128 4.170 -0.000 0.000 0.259 330 I C 1.501 177.621 176.117 0.005 0.000 1.194 330 I CA 1.072 62.367 61.300 -0.008 0.000 1.473 330 I CB 0.021 38.026 38.000 0.007 0.000 1.096 330 I HN -0.099 nan 8.210 nan 0.000 0.443 331 F N 1.138 121.016 119.950 -0.120 0.000 2.390 331 F HA 0.093 4.620 4.527 -0.000 0.000 0.281 331 F C 2.497 178.213 175.800 -0.139 0.000 1.016 331 F CA 0.981 58.918 58.000 -0.105 0.000 1.286 331 F CB 0.049 39.011 39.000 -0.064 0.000 1.134 331 F HN -0.051 nan 8.300 nan 0.000 0.597 332 E N 0.197 120.387 120.200 -0.017 0.000 2.076 332 E HA -0.147 4.203 4.350 -0.000 0.000 0.190 332 E C 1.892 178.449 176.600 -0.072 0.000 0.979 332 E CA 0.971 57.310 56.400 -0.101 0.000 0.807 332 E CB 0.156 29.617 29.700 -0.399 0.000 0.761 332 E HN 0.344 nan 8.360 nan 0.000 0.454 333 K N 0.245 120.589 120.400 -0.093 0.000 2.098 333 K HA -0.083 4.237 4.320 -0.000 0.000 0.203 333 K C 1.861 178.432 176.600 -0.047 0.000 1.051 333 K CA 1.246 57.497 56.287 -0.061 0.000 0.957 333 K CB -0.037 32.425 32.500 -0.063 0.000 0.738 333 K HN 0.028 nan 8.250 nan 0.000 0.447 334 D N 0.783 121.150 120.400 -0.055 0.000 2.183 334 D HA -0.127 4.513 4.640 -0.000 0.000 0.203 334 D C -0.294 175.966 176.300 -0.065 0.000 0.969 334 D CA 0.450 54.415 54.000 -0.058 0.000 0.842 334 D CB 0.177 40.937 40.800 -0.067 0.000 0.957 334 D HN -0.005 nan 8.370 nan 0.000 0.484 335 R N -1.756 118.700 120.500 -0.074 0.000 1.709 335 R HA -0.191 4.149 4.340 -0.000 0.000 0.388 335 R C -0.373 175.858 176.300 -0.116 0.000 1.255 335 R CA 0.422 56.479 56.100 -0.073 0.000 1.080 335 R CB -1.026 29.259 30.300 -0.025 0.000 3.200 335 R HN 0.264 nan 8.270 nan 0.000 0.488 336 A N 3.722 126.417 122.820 -0.208 0.000 2.066 336 A HA 0.386 4.706 4.320 -0.000 0.000 0.198 336 A C 1.218 178.716 177.584 -0.143 0.000 1.405 336 A CA 0.562 52.470 52.037 -0.215 0.000 0.973 336 A CB 0.606 19.401 19.000 -0.341 0.000 1.026 336 A HN 0.517 nan 8.150 nan 0.000 0.474 337 L N -2.637 118.505 121.223 -0.134 0.000 4.757 337 L HA 0.185 4.525 4.340 -0.000 0.000 0.477 337 L C 2.008 179.095 176.870 0.361 0.000 0.932 337 L CA 0.625 55.547 54.840 0.136 0.000 1.868 337 L CB -0.060 42.171 42.059 0.287 0.000 1.883 337 L HN 0.241 nan 8.230 nan 0.000 0.620 338 A N 0.844 123.847 122.820 0.304 0.000 1.957 338 A HA -0.368 3.952 4.320 -0.000 0.000 0.224 338 A C 2.125 179.972 177.584 0.438 0.000 1.287 338 A CA 2.867 55.230 52.037 0.545 0.000 0.682 338 A CB -0.653 18.598 19.000 0.418 0.000 0.833 338 A HN 0.471 nan 8.150 nan 0.000 0.482 339 R N -1.126 119.546 120.500 0.286 0.000 2.115 339 R HA -0.007 4.333 4.340 -0.000 0.000 0.226 339 R C 2.296 178.714 176.300 0.196 0.000 1.100 339 R CA 1.194 57.419 56.100 0.207 0.000 0.980 339 R CB -0.150 30.228 30.300 0.130 0.000 0.875 339 R HN 0.565 nan 8.270 nan 0.000 0.445 340 R N -1.097 119.534 120.500 0.219 0.000 2.280 340 R HA 0.019 4.359 4.340 -0.000 0.000 0.207 340 R C -0.300 175.989 176.300 -0.018 0.000 1.043 340 R CA 0.423 56.567 56.100 0.074 0.000 1.006 340 R CB 0.169 30.470 30.300 0.002 0.000 0.885 340 R HN -0.008 nan 8.270 nan 0.000 0.467 341 F N -0.314 119.718 119.950 0.138 0.000 2.425 341 F HA 0.279 4.806 4.527 0.000 0.000 0.331 341 F C 0.309 176.145 175.800 0.060 0.000 1.085 341 F CA -0.851 57.215 58.000 0.110 0.000 1.028 341 F CB 1.455 40.545 39.000 0.151 0.000 1.177 341 F HN -0.286 nan 8.300 nan 0.000 0.487 342 Q N 2.830 122.749 119.800 0.199 0.000 2.325 342 Q HA 0.245 4.585 4.340 -0.000 0.000 0.262 342 Q C -0.755 175.260 176.000 0.026 0.000 0.968 342 Q CA -0.637 55.218 55.803 0.087 0.000 0.877 342 Q CB 1.297 30.060 28.738 0.041 0.000 1.253 342 Q HN 0.468 nan 8.270 nan 0.000 0.448 343 K N 4.342 124.704 120.400 -0.063 0.000 2.297 343 K HA 0.340 4.660 4.320 -0.000 0.000 0.286 343 K C -0.925 175.562 176.600 -0.189 0.000 1.053 343 K CA -0.207 55.947 56.287 -0.222 0.000 0.940 343 K CB 0.461 32.698 32.500 -0.438 0.000 1.019 343 K HN 0.678 nan 8.250 nan 0.000 0.475 344 I N 4.152 124.603 120.570 -0.198 0.000 2.411 344 I HA 0.115 4.285 4.170 -0.000 0.000 0.284 344 I C -0.561 175.430 176.117 -0.211 0.000 1.012 344 I CA -0.940 60.266 61.300 -0.156 0.000 1.119 344 I CB 1.614 39.556 38.000 -0.097 0.000 1.261 344 I HN 0.505 nan 8.210 nan 0.000 0.448 345 D N 7.237 127.510 120.400 -0.211 0.000 2.401 345 D HA 0.190 4.830 4.640 -0.000 0.000 0.254 345 D C -0.071 176.142 176.300 -0.145 0.000 1.192 345 D CA 0.277 54.134 54.000 -0.238 0.000 0.885 345 D CB 1.391 42.083 40.800 -0.179 0.000 1.147 345 D HN 0.206 nan 8.370 nan 0.000 0.478 346 I N 3.245 123.730 120.570 -0.142 0.000 2.337 346 I HA 0.093 4.263 4.170 -0.000 0.000 0.285 346 I C 0.802 176.913 176.117 -0.010 0.000 1.041 346 I CA -0.389 60.872 61.300 -0.065 0.000 1.199 346 I CB 0.248 38.212 38.000 -0.060 0.000 1.370 346 I HN 0.023 nan 8.210 nan 0.000 0.470 347 T N 4.154 118.715 114.554 0.011 0.000 2.788 347 T HA 0.151 4.501 4.350 -0.000 0.000 0.287 347 T C 0.404 175.123 174.700 0.032 0.000 1.007 347 T CA -0.556 61.575 62.100 0.050 0.000 1.005 347 T CB 1.340 70.233 68.868 0.042 0.000 1.012 347 T HN 0.467 nan 8.240 nan 0.000 0.530 348 E N 1.850 122.073 120.200 0.038 0.000 2.316 348 E HA 0.170 4.520 4.350 -0.000 0.000 0.275 348 E C -2.252 174.363 176.600 0.025 0.000 1.029 348 E CA -1.818 54.603 56.400 0.036 0.000 0.871 348 E CB 0.355 30.094 29.700 0.065 0.000 1.022 348 E HN 0.243 nan 8.360 nan 0.000 0.418 349 P HA 0.025 nan 4.420 nan 0.000 0.269 349 P C -0.731 176.572 177.300 0.004 0.000 1.209 349 P CA -0.104 62.999 63.100 0.006 0.000 0.776 349 P CB 1.041 32.741 31.700 -0.001 0.000 0.876 350 S N 1.036 116.734 115.700 -0.003 0.000 2.626 350 S HA 0.174 4.644 4.470 -0.000 0.000 0.257 350 S C 1.801 176.393 174.600 -0.013 0.000 1.288 350 S CA -0.512 57.683 58.200 -0.007 0.000 0.980 350 S CB 0.002 63.196 63.200 -0.009 0.000 0.975 350 S HN 0.345 nan 8.310 nan 0.000 0.577 351 I N 1.264 121.823 120.570 -0.018 0.000 2.127 351 I HA -0.177 3.993 4.170 -0.000 0.000 0.241 351 I C 2.549 178.653 176.117 -0.023 0.000 1.075 351 I CA 1.349 62.636 61.300 -0.023 0.000 1.334 351 I CB -0.240 37.745 38.000 -0.026 0.000 1.040 351 I HN 0.615 nan 8.210 nan 0.000 0.405 352 E N 0.235 120.423 120.200 -0.020 0.000 2.208 352 E HA -0.232 4.118 4.350 -0.000 0.000 0.193 352 E C 1.937 178.523 176.600 -0.022 0.000 0.988 352 E CA 0.872 57.260 56.400 -0.020 0.000 0.828 352 E CB 0.039 29.730 29.700 -0.016 0.000 0.763 352 E HN 0.323 nan 8.360 nan 0.000 0.478 353 E N 0.083 120.271 120.200 -0.020 0.000 2.152 353 E HA -0.069 4.281 4.350 -0.000 0.000 0.192 353 E C 1.761 178.346 176.600 -0.025 0.000 0.983 353 E CA 1.215 57.602 56.400 -0.021 0.000 0.818 353 E CB -0.183 29.507 29.700 -0.016 0.000 0.758 353 E HN 0.035 nan 8.360 nan 0.000 0.467 354 T N -0.338 114.201 114.554 -0.025 0.000 2.904 354 T HA -0.032 4.318 4.350 -0.000 0.000 0.267 354 T C 1.821 176.496 174.700 -0.042 0.000 1.059 354 T CA 0.984 63.065 62.100 -0.032 0.000 1.137 354 T CB -0.111 68.740 68.868 -0.029 0.000 0.879 354 T HN -0.007 nan 8.240 nan 0.000 0.467 355 V N 1.558 121.449 119.914 -0.038 0.000 2.343 355 V HA -0.176 3.944 4.120 -0.000 0.000 0.247 355 V C 2.686 178.756 176.094 -0.040 0.000 1.051 355 V CA 1.567 63.843 62.300 -0.040 0.000 1.036 355 V CB -0.527 31.278 31.823 -0.029 0.000 0.654 355 V HN 0.481 nan 8.190 nan 0.000 0.451 356 Q N -0.734 119.044 119.800 -0.037 0.000 2.119 356 Q HA -0.145 4.195 4.340 -0.000 0.000 0.201 356 Q C 2.307 178.282 176.000 -0.040 0.000 0.972 356 Q CA 1.645 57.423 55.803 -0.040 0.000 0.847 356 Q CB -0.152 28.562 28.738 -0.040 0.000 0.903 356 Q HN 0.598 nan 8.270 nan 0.000 0.433 357 I N 0.549 121.095 120.570 -0.040 0.000 2.179 357 I HA -0.288 3.882 4.170 -0.000 0.000 0.242 357 I C 2.113 178.201 176.117 -0.048 0.000 1.088 357 I CA 0.763 62.039 61.300 -0.040 0.000 1.357 357 I CB -0.211 37.767 38.000 -0.038 0.000 1.051 357 I HN 0.217 nan 8.210 nan 0.000 0.409 358 I N 0.783 121.311 120.570 -0.069 0.000 2.226 358 I HA -0.266 3.904 4.170 -0.000 0.000 0.245 358 I C 2.154 178.225 176.117 -0.078 0.000 1.100 358 I CA 1.544 62.778 61.300 -0.109 0.000 1.374 358 I CB -1.533 36.381 38.000 -0.144 0.000 1.057 358 I HN 0.320 nan 8.210 nan 0.000 0.413 359 N N 1.200 119.871 118.700 -0.049 0.000 2.223 359 N HA -0.109 4.630 4.740 -0.000 0.000 0.185 359 N C 1.906 177.414 175.510 -0.003 0.000 1.016 359 N CA 1.433 54.472 53.050 -0.018 0.000 0.863 359 N CB -0.451 38.025 38.487 -0.018 0.000 0.983 359 N HN 0.433 nan 8.380 nan 0.000 0.429 360 G N -0.435 108.357 108.800 -0.012 0.000 2.623 360 G HA2 0.006 3.966 3.960 -0.000 0.000 0.214 360 G HA3 0.006 3.966 3.960 -0.000 0.000 0.214 360 G C 1.428 176.344 174.900 0.027 0.000 1.138 360 G CA 0.117 45.217 45.100 0.001 0.000 0.794 360 G HN 0.245 nan 8.290 nan 0.000 0.535 361 L N -0.514 120.735 121.223 0.044 0.000 2.609 361 L HA 0.260 4.600 4.340 -0.000 0.000 0.230 361 L C 2.461 179.467 176.870 0.227 0.000 1.087 361 L CA -0.011 54.909 54.840 0.133 0.000 0.874 361 L CB 0.005 42.162 42.059 0.163 0.000 1.114 361 L HN 0.040 nan 8.230 nan 0.000 0.488 362 K N 1.461 121.928 120.400 0.113 0.000 2.059 362 K HA -0.216 4.104 4.320 -0.000 0.000 0.212 362 K C -0.588 176.161 176.600 0.249 0.000 1.050 362 K CA 1.990 58.359 56.287 0.136 0.000 0.927 362 K CB -0.879 31.661 32.500 0.067 0.000 0.714 362 K HN 0.167 nan 8.250 nan 0.000 0.447 363 P HA -0.158 nan 4.420 nan 0.000 0.215 363 P C 0.532 177.915 177.300 0.139 0.000 1.153 363 P CA 1.789 64.982 63.100 0.155 0.000 0.853 363 P CB -0.015 31.743 31.700 0.096 0.000 0.788 364 K N -2.048 118.411 120.400 0.100 0.000 2.211 364 K HA -0.115 4.205 4.320 -0.000 0.000 0.203 364 K C 1.974 178.535 176.600 -0.066 0.000 1.050 364 K CA 1.182 57.464 56.287 -0.008 0.000 0.945 364 K CB -0.533 31.914 32.500 -0.089 0.000 0.732 364 K HN 0.226 nan 8.250 nan 0.000 0.451 365 Y N 1.421 121.775 120.300 0.090 0.000 2.365 365 Y HA -0.040 4.510 4.550 -0.000 0.000 0.293 365 Y C 2.002 178.067 175.900 0.275 0.000 1.119 365 Y CA 0.929 59.117 58.100 0.145 0.000 1.203 365 Y CB 0.249 38.823 38.460 0.191 0.000 1.026 365 Y HN 0.084 nan 8.280 nan 0.000 0.549 366 E N -0.250 120.208 120.200 0.430 0.000 2.107 366 E HA -0.153 4.197 4.350 -0.000 0.000 0.191 366 E C 2.362 179.071 176.600 0.180 0.000 0.982 366 E CA 0.789 57.384 56.400 0.325 0.000 0.809 366 E CB -0.170 29.703 29.700 0.289 0.000 0.756 366 E HN 0.431 nan 8.360 nan 0.000 0.459 367 A N 1.472 124.371 122.820 0.132 0.000 1.877 367 A HA -0.239 4.081 4.320 -0.000 0.000 0.216 367 A C 2.088 179.697 177.584 0.043 0.000 1.186 367 A CA 1.638 53.717 52.037 0.071 0.000 0.620 367 A CB -0.773 18.256 19.000 0.048 0.000 0.822 367 A HN 0.337 nan 8.150 nan 0.000 0.443 368 H N -1.114 117.902 119.070 -0.090 0.000 2.353 368 H HA -0.135 4.421 4.556 -0.000 0.000 0.300 368 H C 1.509 176.748 175.328 -0.149 0.000 1.090 368 H CA 1.869 57.807 56.048 -0.183 0.000 1.327 368 H CB -0.134 29.411 29.762 -0.360 0.000 1.383 368 H HN 0.582 nan 8.280 nan 0.000 0.508 369 H N 0.175 119.358 119.070 0.189 0.000 2.548 369 H HA 0.026 4.582 4.556 0.000 0.000 0.265 369 H C 0.108 175.442 175.328 0.010 0.000 0.969 369 H CA 0.741 56.855 56.048 0.111 0.000 1.155 369 H CB -0.169 29.699 29.762 0.176 0.000 1.394 369 H HN 0.395 nan 8.280 nan 0.000 0.570 370 D N 0.423 120.880 120.400 0.094 0.000 2.812 370 D HA -0.155 4.484 4.640 -0.000 0.000 0.237 370 D C -0.997 175.316 176.300 0.022 0.000 1.162 370 D CA 0.441 54.465 54.000 0.040 0.000 0.740 370 D CB -1.060 39.747 40.800 0.011 0.000 1.000 370 D HN 0.108 nan 8.370 nan 0.000 0.416 371 V N 1.141 121.060 119.914 0.010 0.000 3.264 371 V HA 0.620 4.740 4.120 -0.000 0.000 0.294 371 V C -1.211 174.814 176.094 -0.115 0.000 1.429 371 V CA -0.920 61.329 62.300 -0.084 0.000 1.053 371 V CB 2.219 33.941 31.823 -0.168 0.000 1.128 371 V HN 0.316 nan 8.190 nan 0.000 0.452 372 R N 3.178 123.579 120.500 -0.164 0.000 2.439 372 R HA 0.586 4.926 4.340 -0.000 0.000 0.310 372 R C -1.899 174.304 176.300 -0.162 0.000 0.955 372 R CA -0.598 55.437 56.100 -0.108 0.000 0.853 372 R CB 1.218 31.472 30.300 -0.077 0.000 1.171 372 R HN 0.575 nan 8.270 nan 0.000 0.449 373 Y N 1.444 121.756 120.300 0.020 0.000 2.316 373 Y HA 0.144 4.694 4.550 -0.000 0.000 0.331 373 Y C 1.419 177.303 175.900 -0.027 0.000 1.083 373 Y CA -0.280 57.821 58.100 0.003 0.000 1.206 373 Y CB 1.366 39.839 38.460 0.022 0.000 1.195 373 Y HN 0.621 nan 8.280 nan 0.000 0.497 374 T N -1.223 113.391 114.554 0.100 0.000 2.868 374 T HA 0.386 4.736 4.350 -0.000 0.000 0.292 374 T C 1.274 176.005 174.700 0.051 0.000 1.028 374 T CA -0.336 61.780 62.100 0.026 0.000 1.059 374 T CB 1.436 70.303 68.868 -0.002 0.000 0.991 374 T HN 0.801 nan 8.240 nan 0.000 0.531 375 A N 1.182 124.017 122.820 0.025 0.000 2.019 375 A HA -0.053 4.267 4.320 -0.000 0.000 0.219 375 A C 2.347 179.941 177.584 0.017 0.000 1.164 375 A CA 1.649 53.703 52.037 0.029 0.000 0.644 375 A CB -0.795 18.219 19.000 0.023 0.000 0.805 375 A HN 0.946 nan 8.150 nan 0.000 0.449 376 K N -0.613 119.795 120.400 0.013 0.000 2.155 376 K HA 0.054 4.374 4.320 -0.000 0.000 0.203 376 K C 2.071 178.681 176.600 0.017 0.000 1.052 376 K CA 0.868 57.161 56.287 0.010 0.000 0.948 376 K CB -0.200 32.303 32.500 0.004 0.000 0.728 376 K HN 0.413 nan 8.250 nan 0.000 0.448 377 A N 0.283 123.123 122.820 0.034 0.000 1.929 377 A HA -0.049 4.271 4.320 -0.000 0.000 0.216 377 A C 2.117 179.714 177.584 0.023 0.000 1.176 377 A CA 0.920 52.986 52.037 0.048 0.000 0.628 377 A CB -0.326 18.735 19.000 0.102 0.000 0.816 377 A HN 0.111 nan 8.150 nan 0.000 0.444 378 V N 0.114 120.032 119.914 0.008 0.000 2.261 378 V HA -0.257 3.863 4.120 -0.000 0.000 0.246 378 V C 2.657 178.729 176.094 -0.036 0.000 1.047 378 V CA 2.360 64.634 62.300 -0.044 0.000 1.015 378 V CB -0.736 31.065 31.823 -0.038 0.000 0.642 378 V HN 0.694 nan 8.190 nan 0.000 0.446 379 R N 0.163 120.653 120.500 -0.017 0.000 2.105 379 R HA -0.168 4.172 4.340 -0.000 0.000 0.239 379 R C 2.222 178.514 176.300 -0.013 0.000 1.135 379 R CA 1.730 57.820 56.100 -0.016 0.000 0.967 379 R CB -0.475 29.820 30.300 -0.008 0.000 0.861 379 R HN 0.494 nan 8.270 nan 0.000 0.442 380 A N 0.577 123.396 122.820 -0.002 0.000 1.933 380 A HA -0.073 4.247 4.320 -0.000 0.000 0.218 380 A C 2.365 179.953 177.584 0.006 0.000 1.175 380 A CA 1.548 53.591 52.037 0.010 0.000 0.628 380 A CB -0.807 18.206 19.000 0.021 0.000 0.814 380 A HN 0.541 nan 8.150 nan 0.000 0.444 381 A N -0.423 122.390 122.820 -0.011 0.000 1.883 381 A HA -0.042 4.278 4.320 -0.000 0.000 0.217 381 A C 2.253 179.820 177.584 -0.029 0.000 1.186 381 A CA 2.011 54.033 52.037 -0.026 0.000 0.624 381 A CB -0.982 17.975 19.000 -0.071 0.000 0.822 381 A HN 0.405 nan 8.150 nan 0.000 0.444 382 V N 0.054 119.945 119.914 -0.038 0.000 2.244 382 V HA -0.248 3.872 4.120 -0.000 0.000 0.244 382 V C 2.416 178.490 176.094 -0.034 0.000 1.042 382 V CA 2.212 64.488 62.300 -0.039 0.000 1.006 382 V CB -1.006 30.793 31.823 -0.041 0.000 0.641 382 V HN 0.629 nan 8.190 nan 0.000 0.446 383 E N 0.134 120.317 120.200 -0.029 0.000 2.077 383 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 383 E C 2.238 178.809 176.600 -0.048 0.000 0.989 383 E CA 1.228 57.605 56.400 -0.039 0.000 0.800 383 E CB -0.206 29.477 29.700 -0.028 0.000 0.746 383 E HN 0.498 nan 8.360 nan 0.000 0.452 384 L N 0.462 121.689 121.223 0.007 0.000 2.109 384 L HA -0.101 4.239 4.340 -0.000 0.000 0.207 384 L C 2.561 179.466 176.870 0.058 0.000 1.086 384 L CA 0.773 55.663 54.840 0.083 0.000 0.760 384 L CB -0.389 41.771 42.059 0.167 0.000 0.910 384 L HN 0.123 nan 8.230 nan 0.000 0.437 385 A N -0.446 122.384 122.820 0.018 0.000 1.969 385 A HA -0.102 4.218 4.320 -0.000 0.000 0.218 385 A C 2.323 179.876 177.584 -0.053 0.000 1.169 385 A CA 1.266 53.304 52.037 0.002 0.000 0.635 385 A CB -0.581 18.413 19.000 -0.011 0.000 0.810 385 A HN 0.185 nan 8.150 nan 0.000 0.445 386 V N 0.011 119.874 119.914 -0.085 0.000 2.358 386 V HA -0.248 3.872 4.120 -0.000 0.000 0.246 386 V C 2.445 178.428 176.094 -0.185 0.000 1.047 386 V CA 2.384 64.616 62.300 -0.113 0.000 1.035 386 V CB -0.558 31.207 31.823 -0.097 0.000 0.658 386 V HN 0.559 nan 8.190 nan 0.000 0.452 387 K N -1.077 119.135 120.400 -0.313 0.000 2.062 387 K HA -0.075 4.245 4.320 -0.000 0.000 0.205 387 K C 1.933 178.166 176.600 -0.612 0.000 1.051 387 K CA 1.711 57.649 56.287 -0.582 0.000 0.941 387 K CB -0.170 31.712 32.500 -1.030 0.000 0.719 387 K HN 0.561 nan 8.250 nan 0.000 0.440 388 Y N -0.308 119.981 120.300 -0.018 0.000 2.498 388 Y HA 0.260 4.810 4.550 0.000 0.000 0.259 388 Y C 0.797 176.687 175.900 -0.017 0.000 1.086 388 Y CA -0.332 57.762 58.100 -0.010 0.000 1.287 388 Y CB 0.621 39.077 38.460 -0.007 0.000 1.146 388 Y HN -0.160 nan 8.280 nan 0.000 0.523 389 I N 1.880 122.490 120.570 0.066 0.000 2.325 389 I HA 0.093 4.263 4.170 -0.000 0.000 0.285 389 I C 0.255 176.341 176.117 -0.051 0.000 1.128 389 I CA -0.095 61.215 61.300 0.018 0.000 1.261 389 I CB 0.033 38.041 38.000 0.012 0.000 1.529 389 I HN 0.279 nan 8.210 nan 0.000 0.557 390 N N 1.765 120.438 118.700 -0.045 0.000 2.396 390 N HA -0.151 4.589 4.740 -0.000 0.000 0.180 390 N C 1.261 176.684 175.510 -0.145 0.000 1.028 390 N CA 0.878 53.870 53.050 -0.097 0.000 0.893 390 N CB 0.188 38.645 38.487 -0.049 0.000 0.967 390 N HN 0.492 nan 8.380 nan 0.000 0.440 391 D N 0.518 120.863 120.400 -0.092 0.000 2.312 391 D HA 0.033 4.673 4.640 -0.000 0.000 0.211 391 D C 0.461 176.677 176.300 -0.140 0.000 0.964 391 D CA 0.632 54.584 54.000 -0.080 0.000 0.877 391 D CB 0.439 41.228 40.800 -0.020 0.000 0.924 391 D HN 0.218 nan 8.370 nan 0.000 0.515 392 R N -1.535 118.841 120.500 -0.207 0.000 2.960 392 R HA 0.585 4.925 4.340 -0.000 0.000 0.249 392 R C -0.718 175.322 176.300 -0.433 0.000 1.192 392 R CA -0.801 55.184 56.100 -0.192 0.000 1.035 392 R CB 1.154 31.428 30.300 -0.044 0.000 1.234 392 R HN 0.075 nan 8.270 nan 0.000 0.493 393 H N -0.438 118.634 119.070 0.003 0.000 2.747 393 H HA 0.308 4.864 4.556 0.000 0.000 0.371 393 H C 0.871 176.195 175.328 -0.006 0.000 1.161 393 H CA -0.699 55.347 56.048 -0.003 0.000 1.167 393 H CB 1.277 31.041 29.762 0.004 0.000 1.732 393 H HN 0.358 nan 8.280 nan 0.000 0.544 394 L N 0.552 121.844 121.223 0.114 0.000 3.637 394 L HA -0.381 3.959 4.340 -0.000 0.000 0.119 394 L C -0.788 176.095 176.870 0.021 0.000 3.802 394 L CA 2.064 56.933 54.840 0.049 0.000 1.267 394 L CB -1.844 40.229 42.059 0.023 0.000 3.122 394 L HN 0.578 nan 8.230 nan 0.000 0.622 395 P HA -0.137 nan 4.420 nan 0.000 0.211 395 P C 1.046 178.343 177.300 -0.006 0.000 1.179 395 P CA 1.929 65.027 63.100 -0.003 0.000 0.910 395 P CB -0.110 31.591 31.700 0.002 0.000 0.785 396 D N 0.181 120.592 120.400 0.019 0.000 2.204 396 D HA -0.247 4.393 4.640 -0.000 0.000 0.189 396 D C 1.868 178.172 176.300 0.007 0.000 1.006 396 D CA 2.230 56.243 54.000 0.023 0.000 0.855 396 D CB -0.332 40.498 40.800 0.051 0.000 0.946 396 D HN 0.255 nan 8.370 nan 0.000 0.448 397 K N -0.338 120.068 120.400 0.009 0.000 2.217 397 K HA 0.073 4.393 4.320 -0.000 0.000 0.202 397 K C 2.100 178.684 176.600 -0.026 0.000 1.051 397 K CA 1.189 57.473 56.287 -0.004 0.000 0.952 397 K CB -0.106 32.390 32.500 -0.007 0.000 0.736 397 K HN 0.143 nan 8.250 nan 0.000 0.453 398 A N 1.909 124.705 122.820 -0.040 0.000 1.897 398 A HA 0.035 4.355 4.320 -0.000 0.000 0.215 398 A C 2.156 179.669 177.584 -0.119 0.000 1.181 398 A CA 0.859 52.855 52.037 -0.068 0.000 0.620 398 A CB -0.480 18.479 19.000 -0.068 0.000 0.821 398 A HN 0.273 nan 8.150 nan 0.000 0.443 399 I N -0.103 120.393 120.570 -0.123 0.000 2.286 399 I HA -0.216 3.954 4.170 -0.000 0.000 0.248 399 I C 1.708 177.722 176.117 -0.171 0.000 1.115 399 I CA 1.355 62.536 61.300 -0.198 0.000 1.392 399 I CB -0.380 37.544 38.000 -0.126 0.000 1.065 399 I HN 0.209 nan 8.210 nan 0.000 0.418 400 D N 0.394 120.753 120.400 -0.070 0.000 2.144 400 D HA -0.110 4.530 4.640 -0.000 0.000 0.200 400 D C 2.347 178.632 176.300 -0.026 0.000 0.978 400 D CA 0.977 54.964 54.000 -0.021 0.000 0.833 400 D CB -0.089 40.716 40.800 0.008 0.000 0.961 400 D HN 0.103 nan 8.370 nan 0.000 0.470 401 V N 1.186 121.073 119.914 -0.046 0.000 2.358 401 V HA -0.184 3.936 4.120 -0.000 0.000 0.246 401 V C 2.395 178.463 176.094 -0.045 0.000 1.047 401 V CA 0.851 63.133 62.300 -0.031 0.000 1.035 401 V CB -0.113 31.692 31.823 -0.029 0.000 0.658 401 V HN 0.198 nan 8.190 nan 0.000 0.452 402 I N 0.295 120.783 120.570 -0.137 0.000 2.226 402 I HA -0.189 3.981 4.170 -0.000 0.000 0.245 402 I C 2.379 178.452 176.117 -0.074 0.000 1.100 402 I CA 1.810 62.971 61.300 -0.231 0.000 1.374 402 I CB -1.059 36.620 38.000 -0.535 0.000 1.057 402 I HN 0.394 nan 8.210 nan 0.000 0.413 403 D N 0.701 121.055 120.400 -0.077 0.000 2.097 403 D HA -0.220 4.420 4.640 -0.000 0.000 0.197 403 D C 2.071 178.463 176.300 0.152 0.000 0.984 403 D CA 1.227 55.360 54.000 0.222 0.000 0.826 403 D CB 0.140 41.094 40.800 0.258 0.000 0.973 403 D HN 0.118 nan 8.370 nan 0.000 0.460 404 E N 0.076 120.315 120.200 0.066 0.000 2.085 404 E HA -0.083 4.267 4.350 -0.000 0.000 0.194 404 E C 1.888 178.479 176.600 -0.015 0.000 0.994 404 E CA 1.430 57.848 56.400 0.030 0.000 0.801 404 E CB -0.480 29.235 29.700 0.026 0.000 0.743 404 E HN 0.281 nan 8.360 nan 0.000 0.453 405 A N -0.208 122.619 122.820 0.012 0.000 1.933 405 A HA -0.038 4.282 4.320 -0.000 0.000 0.218 405 A C 2.408 179.951 177.584 -0.068 0.000 1.175 405 A CA 1.716 53.764 52.037 0.018 0.000 0.628 405 A CB -1.062 18.006 19.000 0.112 0.000 0.814 405 A HN 0.389 nan 8.150 nan 0.000 0.444 406 G N -0.811 107.899 108.800 -0.150 0.000 2.421 406 G HA2 0.114 4.074 3.960 -0.000 0.000 0.217 406 G HA3 0.114 4.074 3.960 -0.000 0.000 0.217 406 G C 1.654 176.127 174.900 -0.712 0.000 1.143 406 G CA 1.147 45.951 45.100 -0.495 0.000 0.784 406 G HN 0.736 nan 8.290 nan 0.000 0.541 407 A N 0.685 123.115 122.820 -0.651 0.000 1.929 407 A HA 0.074 4.394 4.320 -0.000 0.000 0.216 407 A C 2.262 179.795 177.584 -0.084 0.000 1.176 407 A CA 1.599 53.511 52.037 -0.208 0.000 0.628 407 A CB -0.400 18.609 19.000 0.014 0.000 0.816 407 A HN 0.342 nan 8.150 nan 0.000 0.444 408 R N -0.151 120.295 120.500 -0.090 0.000 2.127 408 R HA -0.126 4.214 4.340 -0.000 0.000 0.238 408 R C 2.154 178.427 176.300 -0.046 0.000 1.134 408 R CA 1.382 57.454 56.100 -0.046 0.000 0.975 408 R CB -0.378 29.899 30.300 -0.038 0.000 0.865 408 R HN 0.435 nan 8.270 nan 0.000 0.447 409 A N 1.196 123.973 122.820 -0.072 0.000 1.933 409 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 409 A C 1.988 179.554 177.584 -0.030 0.000 1.175 409 A CA 1.085 53.087 52.037 -0.057 0.000 0.628 409 A CB -0.388 18.563 19.000 -0.081 0.000 0.814 409 A HN 0.238 nan 8.150 nan 0.000 0.444 410 R N -0.317 120.173 120.500 -0.016 0.000 2.105 410 R HA -0.067 4.273 4.340 -0.000 0.000 0.239 410 R C 1.879 178.180 176.300 0.001 0.000 1.135 410 R CA 1.075 57.178 56.100 0.005 0.000 0.967 410 R CB -1.012 29.306 30.300 0.030 0.000 0.861 410 R HN 0.594 nan 8.270 nan 0.000 0.442 411 L N 0.477 121.699 121.223 -0.002 0.000 2.353 411 L HA -0.042 4.298 4.340 -0.000 0.000 0.220 411 L C 0.825 177.692 176.870 -0.005 0.000 1.133 411 L CA 0.678 55.518 54.840 -0.001 0.000 0.798 411 L CB -0.185 41.873 42.059 -0.001 0.000 0.922 411 L HN 0.068 nan 8.230 nan 0.000 0.445 412 M N 0.206 119.800 119.600 -0.010 0.000 2.589 412 M HA 0.198 4.678 4.480 -0.000 0.000 0.340 412 M C -1.465 174.829 176.300 -0.009 0.000 1.308 412 M CA -1.654 53.639 55.300 -0.011 0.000 1.332 412 M CB 0.539 33.130 32.600 -0.016 0.000 1.219 412 M HN -0.238 nan 8.290 nan 0.000 0.467 413 P HA -0.369 nan 4.420 nan 0.000 0.231 413 P C 1.160 178.458 177.300 -0.004 0.000 0.925 413 P CA 1.650 64.748 63.100 -0.004 0.000 1.094 413 P CB -0.287 31.410 31.700 -0.004 0.000 0.679 414 V N -2.784 117.126 119.914 -0.007 0.000 2.267 414 V HA 0.046 4.166 4.120 -0.000 0.000 0.228 414 V C 1.187 177.276 176.094 -0.008 0.000 1.040 414 V CA 1.778 64.074 62.300 -0.008 0.000 1.010 414 V CB -1.014 30.803 31.823 -0.010 0.000 0.649 414 V HN 0.414 nan 8.190 nan 0.000 0.464 415 S N -0.624 115.067 115.700 -0.014 0.000 4.342 415 S HA -0.016 4.454 4.470 -0.000 0.000 0.081 415 S C -0.460 174.122 174.600 -0.030 0.000 0.852 415 S CA -0.641 57.547 58.200 -0.020 0.000 0.836 415 S CB -0.892 62.303 63.200 -0.007 0.000 0.861 415 S HN 0.521 nan 8.310 nan 0.000 0.741 416 K N 3.259 123.638 120.400 -0.035 0.000 1.948 416 K HA 0.112 4.432 4.320 -0.000 0.000 0.231 416 K C 1.581 178.150 176.600 -0.052 0.000 1.136 416 K CA 0.482 56.746 56.287 -0.038 0.000 1.185 416 K CB -0.131 32.349 32.500 -0.033 0.000 1.090 416 K HN 0.640 nan 8.250 nan 0.000 0.302 417 R N 2.831 123.302 120.500 -0.048 0.000 2.667 417 R HA -0.412 3.928 4.340 -0.000 0.000 0.139 417 R C -0.728 175.520 176.300 -0.087 0.000 0.581 417 R CA 2.714 58.779 56.100 -0.057 0.000 0.270 417 R CB -0.476 29.799 30.300 -0.041 0.000 0.607 417 R HN 0.779 nan 8.270 nan 0.000 0.249 418 K N -1.096 119.257 120.400 -0.079 0.000 5.384 418 K HA -0.132 4.188 4.320 -0.000 0.000 0.808 418 K C -0.043 176.510 176.600 -0.078 0.000 1.522 418 K CA 0.768 57.003 56.287 -0.086 0.000 1.573 418 K CB -0.363 32.058 32.500 -0.131 0.000 2.342 418 K HN 0.360 nan 8.250 nan 0.000 0.297 419 K N 0.378 120.741 120.400 -0.061 0.000 2.057 419 K HA 0.032 4.352 4.320 -0.000 0.000 0.197 419 K C 0.555 177.114 176.600 -0.068 0.000 1.055 419 K CA 1.123 57.373 56.287 -0.060 0.000 1.028 419 K CB 0.091 32.565 32.500 -0.044 0.000 1.289 419 K HN 0.440 nan 8.250 nan 0.000 0.462 420 T N 1.548 116.070 114.554 -0.053 0.000 3.378 420 T HA 0.433 4.783 4.350 -0.000 0.000 0.359 420 T C -1.269 173.411 174.700 -0.033 0.000 1.815 420 T CA -0.463 61.607 62.100 -0.050 0.000 1.509 420 T CB 0.231 69.069 68.868 -0.051 0.000 1.049 420 T HN 0.101 nan 8.240 nan 0.000 0.705 421 V N 2.201 122.098 119.914 -0.028 0.000 2.850 421 V HA 0.264 4.384 4.120 -0.000 0.000 0.244 421 V C -0.441 175.644 176.094 -0.014 0.000 1.817 421 V CA -0.756 61.533 62.300 -0.017 0.000 0.827 421 V CB 1.535 33.352 31.823 -0.010 0.000 1.252 421 V HN 0.736 nan 8.190 nan 0.000 0.503 422 N N 1.874 120.574 118.700 0.001 0.000 1.900 422 N HA 0.088 4.828 4.740 -0.000 0.000 0.227 422 N C 1.175 176.699 175.510 0.023 0.000 1.411 422 N CA 0.299 53.357 53.050 0.012 0.000 0.780 422 N CB 1.289 39.798 38.487 0.037 0.000 1.082 422 N HN 0.422 nan 8.380 nan 0.000 0.505 423 V N 1.468 121.393 119.914 0.018 0.000 2.324 423 V HA -0.275 3.845 4.120 -0.000 0.000 0.250 423 V C 2.465 178.567 176.094 0.014 0.000 1.060 423 V CA 2.431 64.742 62.300 0.019 0.000 1.042 423 V CB -0.643 31.188 31.823 0.014 0.000 0.650 423 V HN 0.397 nan 8.190 nan 0.000 0.450 424 A N -0.504 122.319 122.820 0.006 0.000 1.972 424 A HA -0.239 4.081 4.320 -0.000 0.000 0.219 424 A C 2.024 179.608 177.584 -0.001 0.000 1.169 424 A CA 1.902 53.939 52.037 -0.001 0.000 0.635 424 A CB -0.489 18.507 19.000 -0.006 0.000 0.810 424 A HN 0.593 nan 8.150 nan 0.000 0.446 425 D N 0.151 120.553 120.400 0.003 0.000 2.097 425 D HA -0.110 4.530 4.640 -0.000 0.000 0.197 425 D C 1.942 178.250 176.300 0.013 0.000 0.984 425 D CA 1.083 55.085 54.000 0.003 0.000 0.826 425 D CB -0.249 40.552 40.800 0.003 0.000 0.973 425 D HN 0.318 nan 8.370 nan 0.000 0.460 426 I N 1.709 122.295 120.570 0.026 0.000 2.208 426 I HA -0.217 3.953 4.170 -0.000 0.000 0.245 426 I C 2.260 178.388 176.117 0.018 0.000 1.097 426 I CA 1.141 62.459 61.300 0.029 0.000 1.363 426 I CB -1.180 36.841 38.000 0.035 0.000 1.051 426 I HN 0.069 nan 8.210 nan 0.000 0.413 427 E N 0.644 120.851 120.200 0.011 0.000 2.085 427 E HA -0.187 4.163 4.350 -0.000 0.000 0.194 427 E C 2.351 178.938 176.600 -0.021 0.000 0.994 427 E CA 1.826 58.224 56.400 -0.004 0.000 0.801 427 E CB -0.064 29.630 29.700 -0.010 0.000 0.743 427 E HN 0.375 nan 8.360 nan 0.000 0.453 428 S N 0.066 115.757 115.700 -0.015 0.000 2.383 428 S HA -0.111 4.359 4.470 -0.000 0.000 0.227 428 S C 2.157 176.749 174.600 -0.014 0.000 1.026 428 S CA 0.781 58.969 58.200 -0.019 0.000 0.981 428 S CB -0.048 63.143 63.200 -0.015 0.000 0.818 428 S HN 0.057 nan 8.310 nan 0.000 0.472 429 V N 1.400 121.312 119.914 -0.004 0.000 2.307 429 V HA -0.122 3.998 4.120 -0.000 0.000 0.245 429 V C 2.314 178.410 176.094 0.003 0.000 1.045 429 V CA 1.403 63.704 62.300 0.002 0.000 1.024 429 V CB -0.718 31.111 31.823 0.010 0.000 0.651 429 V HN 0.329 nan 8.190 nan 0.000 0.449 430 V N 0.316 120.234 119.914 0.008 0.000 2.343 430 V HA -0.242 3.878 4.120 -0.000 0.000 0.247 430 V C 2.706 178.796 176.094 -0.008 0.000 1.051 430 V CA 1.925 64.237 62.300 0.019 0.000 1.036 430 V CB -1.091 30.765 31.823 0.055 0.000 0.654 430 V HN 0.557 nan 8.190 nan 0.000 0.451 431 A N -0.145 122.651 122.820 -0.041 0.000 1.902 431 A HA -0.259 4.061 4.320 -0.000 0.000 0.217 431 A C 2.441 180.001 177.584 -0.039 0.000 1.181 431 A CA 2.009 54.005 52.037 -0.068 0.000 0.623 431 A CB -0.571 18.381 19.000 -0.079 0.000 0.818 431 A HN 0.450 nan 8.150 nan 0.000 0.443 432 R N -0.428 120.059 120.500 -0.021 0.000 2.092 432 R HA -0.030 4.310 4.340 -0.000 0.000 0.231 432 R C 1.863 178.161 176.300 -0.003 0.000 1.119 432 R CA 1.493 57.586 56.100 -0.011 0.000 0.970 432 R CB -0.299 29.998 30.300 -0.005 0.000 0.864 432 R HN 0.589 nan 8.270 nan 0.000 0.440 433 I N 0.238 120.810 120.570 0.003 0.000 2.277 433 I HA -0.139 4.031 4.170 -0.000 0.000 0.243 433 I C 2.500 178.625 176.117 0.012 0.000 1.094 433 I CA 1.070 62.376 61.300 0.011 0.000 1.393 433 I CB -0.301 37.709 38.000 0.017 0.000 1.078 433 I HN 0.165 nan 8.210 nan 0.000 0.417 434 A N 0.999 123.828 122.820 0.014 0.000 1.969 434 A HA -0.097 4.223 4.320 -0.000 0.000 0.218 434 A C 1.431 179.015 177.584 -0.000 0.000 1.169 434 A CA 1.496 53.546 52.037 0.023 0.000 0.635 434 A CB -0.267 18.761 19.000 0.047 0.000 0.810 434 A HN 0.560 nan 8.150 nan 0.000 0.445 435 R N -5.195 115.296 120.500 -0.016 0.000 3.853 435 R HA 0.753 5.093 4.340 -0.000 0.000 0.253 435 R C 0.422 176.711 176.300 -0.019 0.000 1.046 435 R CA -0.267 55.818 56.100 -0.025 0.000 0.856 435 R CB 0.278 30.552 30.300 -0.044 0.000 1.667 435 R HN 0.185 nan 8.270 nan 0.000 0.400 436 I N -2.875 117.681 120.570 -0.023 0.000 4.472 436 I HA -0.221 3.949 4.170 -0.000 0.000 0.065 436 I C -1.672 174.443 176.117 -0.003 0.000 0.593 436 I CA 0.728 62.019 61.300 -0.015 0.000 1.030 436 I CB -2.479 35.512 38.000 -0.015 0.000 1.268 436 I HN 0.534 nan 8.210 nan 0.000 0.212 437 P HA 0.170 nan 4.420 nan 0.000 0.251 437 P C -0.727 176.591 177.300 0.030 0.000 1.154 437 P CA 1.477 64.591 63.100 0.023 0.000 0.805 437 P CB 0.127 31.851 31.700 0.040 0.000 0.759 438 E N 2.000 122.213 120.200 0.022 0.000 3.287 438 E HA 0.093 4.443 4.350 -0.000 0.000 0.355 438 E C -1.142 175.464 176.600 0.012 0.000 1.027 438 E CA -0.780 55.634 56.400 0.024 0.000 0.840 438 E CB 1.069 30.781 29.700 0.021 0.000 1.273 438 E HN 0.278 nan 8.360 nan 0.000 0.458 439 K N 1.586 121.992 120.400 0.010 0.000 2.307 439 K HA 0.675 4.995 4.320 -0.000 0.000 0.263 439 K C -0.820 175.783 176.600 0.005 0.000 0.973 439 K CA -0.781 55.508 56.287 0.003 0.000 0.846 439 K CB 1.950 34.448 32.500 -0.003 0.000 1.100 439 K HN 0.207 nan 8.250 nan 0.000 0.438 440 S N 1.720 117.422 115.700 0.004 0.000 2.769 440 S HA 0.107 4.577 4.470 -0.000 0.000 0.150 440 S C -0.121 174.480 174.600 0.002 0.000 1.034 440 S CA -0.620 57.583 58.200 0.005 0.000 1.096 440 S CB 0.322 63.527 63.200 0.008 0.000 1.567 440 S HN 0.505 nan 8.310 nan 0.000 0.435 441 V N -0.256 119.658 119.914 0.000 0.000 5.598 441 V HA 0.593 4.713 4.120 -0.000 0.000 0.109 441 V C 1.344 177.437 176.094 -0.001 0.000 0.868 441 V CA 0.232 62.531 62.300 -0.001 0.000 1.370 441 V CB -0.079 31.743 31.823 -0.002 0.000 2.450 441 V HN 0.585 nan 8.190 nan 0.000 0.366 442 S N 0.534 116.233 115.700 -0.002 0.000 2.614 442 S HA 0.304 4.774 4.470 -0.000 0.000 0.230 442 S C 0.684 175.283 174.600 -0.002 0.000 0.952 442 S CA 0.393 58.592 58.200 -0.002 0.000 0.949 442 S CB -0.508 62.690 63.200 -0.002 0.000 0.786 442 S HN 0.910 nan 8.310 nan 0.000 0.478 443 Q N -0.314 119.485 119.800 -0.002 0.000 1.618 443 Q HA 0.315 4.655 4.340 -0.000 0.000 0.147 443 Q C 1.279 177.278 176.000 -0.002 0.000 0.403 443 Q CA 0.043 55.845 55.803 -0.002 0.000 0.687 443 Q CB -0.723 28.013 28.738 -0.003 0.000 0.812 443 Q HN 0.180 nan 8.270 nan 0.000 0.189 444 S N 2.037 117.735 115.700 -0.003 0.000 2.377 444 S HA -0.192 4.278 4.470 -0.000 0.000 0.224 444 S C 1.394 175.993 174.600 -0.003 0.000 1.042 444 S CA 2.186 60.384 58.200 -0.004 0.000 1.086 444 S CB -0.614 62.582 63.200 -0.006 0.000 0.995 444 S HN 0.373 nan 8.310 nan 0.000 0.428 445 D N 0.432 120.831 120.400 -0.001 0.000 2.178 445 D HA -0.042 4.598 4.640 -0.000 0.000 0.202 445 D C 2.008 178.310 176.300 0.003 0.000 0.974 445 D CA 0.531 54.532 54.000 0.002 0.000 0.841 445 D CB -0.300 40.503 40.800 0.004 0.000 0.953 445 D HN 0.300 nan 8.370 nan 0.000 0.478 446 R N 0.924 121.425 120.500 0.001 0.000 2.070 446 R HA -0.175 4.165 4.340 -0.000 0.000 0.233 446 R C 1.618 177.919 176.300 0.001 0.000 1.137 446 R CA 1.901 58.001 56.100 0.001 0.000 0.945 446 R CB -0.333 29.967 30.300 0.000 0.000 0.845 446 R HN 0.060 nan 8.270 nan 0.000 0.430 447 D N -0.607 119.793 120.400 -0.000 0.000 2.117 447 D HA -0.135 4.505 4.640 -0.000 0.000 0.197 447 D C 1.840 178.140 176.300 -0.000 0.000 0.987 447 D CA 2.264 56.264 54.000 -0.000 0.000 0.829 447 D CB 0.079 40.879 40.800 -0.001 0.000 0.961 447 D HN 0.474 nan 8.370 nan 0.000 0.460 448 T N -1.132 113.422 114.554 0.000 0.000 2.674 448 T HA -0.154 4.196 4.350 -0.000 0.000 0.265 448 T C 2.228 176.929 174.700 0.002 0.000 1.039 448 T CA 1.039 63.139 62.100 0.000 0.000 1.150 448 T CB -0.836 68.032 68.868 0.001 0.000 0.864 448 T HN 0.161 nan 8.240 nan 0.000 0.427 449 L N 0.815 122.040 121.223 0.004 0.000 2.131 449 L HA 0.026 4.366 4.340 -0.000 0.000 0.210 449 L C 3.031 179.902 176.870 0.002 0.000 1.092 449 L CA 1.390 56.233 54.840 0.005 0.000 0.759 449 L CB -0.547 41.517 42.059 0.009 0.000 0.903 449 L HN 0.278 nan 8.230 nan 0.000 0.435 450 K N 0.554 120.955 120.400 0.001 0.000 2.217 450 K HA -0.099 4.221 4.320 -0.000 0.000 0.202 450 K C 0.947 177.547 176.600 -0.001 0.000 1.051 450 K CA 1.231 57.518 56.287 -0.000 0.000 0.952 450 K CB 0.125 32.625 32.500 -0.000 0.000 0.736 450 K HN 0.359 nan 8.250 nan 0.000 0.453 451 N N 0.165 118.865 118.700 -0.001 0.000 2.187 451 N HA 0.101 4.841 4.740 -0.000 0.000 0.212 451 N C 1.009 176.517 175.510 -0.004 0.000 1.152 451 N CA -0.215 52.834 53.050 -0.002 0.000 0.872 451 N CB 0.523 39.010 38.487 -0.000 0.000 1.025 451 N HN 0.023 nan 8.380 nan 0.000 0.514 452 L N 0.335 121.555 121.223 -0.005 0.000 2.012 452 L HA -0.101 4.239 4.340 -0.000 0.000 0.210 452 L C 2.142 179.003 176.870 -0.014 0.000 1.073 452 L CA 1.503 56.339 54.840 -0.008 0.000 0.748 452 L CB -0.525 41.531 42.059 -0.005 0.000 0.891 452 L HN 0.333 nan 8.230 nan 0.000 0.431 453 G N -1.311 107.479 108.800 -0.016 0.000 2.471 453 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.219 453 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.219 453 G C 1.040 175.931 174.900 -0.015 0.000 1.125 453 G CA 0.746 45.832 45.100 -0.023 0.000 0.775 453 G HN 0.362 nan 8.290 nan 0.000 0.548 454 D N -0.505 119.891 120.400 -0.006 0.000 2.262 454 D HA 0.038 4.678 4.640 -0.000 0.000 0.212 454 D C 2.380 178.683 176.300 0.006 0.000 0.964 454 D CA 0.178 54.181 54.000 0.004 0.000 0.875 454 D CB -0.109 40.695 40.800 0.006 0.000 0.996 454 D HN 0.246 nan 8.370 nan 0.000 0.497 455 R N 0.521 121.020 120.500 -0.002 0.000 2.081 455 R HA -0.030 4.310 4.340 -0.000 0.000 0.235 455 R C 2.141 178.429 176.300 -0.021 0.000 1.131 455 R CA 0.862 56.959 56.100 -0.006 0.000 0.960 455 R CB -0.182 30.113 30.300 -0.009 0.000 0.856 455 R HN 0.157 nan 8.270 nan 0.000 0.436 456 L N 0.295 121.500 121.223 -0.030 0.000 2.109 456 L HA -0.080 4.260 4.340 -0.000 0.000 0.207 456 L C 2.224 179.047 176.870 -0.078 0.000 1.086 456 L CA 1.195 56.002 54.840 -0.055 0.000 0.760 456 L CB -0.226 41.805 42.059 -0.047 0.000 0.910 456 L HN 0.129 nan 8.230 nan 0.000 0.437 457 K N -0.238 120.143 120.400 -0.032 0.000 2.442 457 K HA -0.077 4.243 4.320 -0.000 0.000 0.198 457 K C 1.626 178.281 176.600 0.092 0.000 1.042 457 K CA 0.720 57.015 56.287 0.013 0.000 0.958 457 K CB 0.106 32.632 32.500 0.043 0.000 0.766 457 K HN 0.246 nan 8.250 nan 0.000 0.474 458 M N 0.635 120.266 119.600 0.051 0.000 2.475 458 M HA 0.130 4.610 4.480 -0.000 0.000 0.261 458 M C 0.278 176.580 176.300 0.005 0.000 1.177 458 M CA 0.343 55.734 55.300 0.152 0.000 0.979 458 M CB 0.484 33.139 32.600 0.091 0.000 1.482 458 M HN 0.092 nan 8.290 nan 0.000 0.484 459 L N -1.820 119.219 121.223 -0.306 0.000 3.048 459 L HA 0.299 4.639 4.340 -0.000 0.000 0.278 459 L C -0.425 175.974 176.870 -0.786 0.000 1.057 459 L CA -0.156 54.426 54.840 -0.429 0.000 1.073 459 L CB 1.485 43.418 42.059 -0.211 0.000 1.802 459 L HN -0.150 nan 8.230 nan 0.000 0.562 460 V N 0.704 120.167 119.914 -0.752 0.000 2.483 460 V HA 0.450 4.570 4.120 -0.000 0.000 0.297 460 V C -0.861 174.891 176.094 -0.570 0.000 1.027 460 V CA -0.503 61.436 62.300 -0.602 0.000 0.855 460 V CB 1.584 33.280 31.823 -0.210 0.000 0.995 460 V HN -0.038 nan 8.190 nan 0.000 0.424 461 F N 1.277 121.248 119.950 0.035 0.000 2.541 461 F HA 0.733 5.261 4.527 0.000 0.000 0.331 461 F C 1.338 177.155 175.800 0.028 0.000 1.057 461 F CA -0.196 57.818 58.000 0.024 0.000 0.975 461 F CB 1.649 40.665 39.000 0.027 0.000 1.246 461 F HN 0.682 nan 8.300 nan 0.000 0.484 462 G N 1.159 110.085 108.800 0.210 0.000 2.168 462 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.257 462 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.257 462 G C 0.005 174.933 174.900 0.047 0.000 0.997 462 G CA 0.189 45.356 45.100 0.113 0.000 0.708 462 G HN 0.613 nan 8.290 nan 0.000 0.520 463 Q N -0.299 119.499 119.800 -0.003 0.000 2.366 463 Q HA 0.263 4.603 4.340 -0.000 0.000 0.356 463 Q C 1.086 176.979 176.000 -0.178 0.000 0.866 463 Q CA -0.251 55.473 55.803 -0.132 0.000 1.109 463 Q CB 0.539 29.147 28.738 -0.217 0.000 1.361 463 Q HN 0.309 nan 8.270 nan 0.000 0.404 464 D N 0.378 120.721 120.400 -0.096 0.000 2.133 464 D HA -0.229 4.411 4.640 -0.000 0.000 0.195 464 D C 1.553 177.777 176.300 -0.127 0.000 0.997 464 D CA 1.270 55.218 54.000 -0.087 0.000 0.840 464 D CB 0.424 41.198 40.800 -0.043 0.000 0.947 464 D HN 0.134 nan 8.370 nan 0.000 0.452 465 K N 1.292 121.606 120.400 -0.143 0.000 2.002 465 K HA -0.084 4.236 4.320 -0.000 0.000 0.209 465 K C 1.936 178.403 176.600 -0.222 0.000 1.048 465 K CA 1.688 57.890 56.287 -0.141 0.000 0.930 465 K CB -0.691 31.745 32.500 -0.106 0.000 0.714 465 K HN 0.012 nan 8.250 nan 0.000 0.438 466 A N 0.936 123.514 122.820 -0.404 0.000 1.859 466 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 466 A C 2.355 179.684 177.584 -0.425 0.000 1.198 466 A CA 2.209 53.865 52.037 -0.634 0.000 0.629 466 A CB -0.961 17.171 19.000 -1.448 0.000 0.830 466 A HN 0.393 nan 8.150 nan 0.000 0.446 467 I N -0.720 119.650 120.570 -0.332 0.000 2.208 467 I HA -0.291 3.879 4.170 -0.000 0.000 0.245 467 I C 2.549 178.581 176.117 -0.141 0.000 1.097 467 I CA 1.891 63.072 61.300 -0.198 0.000 1.363 467 I CB -0.447 37.470 38.000 -0.138 0.000 1.051 467 I HN 0.453 nan 8.210 nan 0.000 0.413 468 E N 0.671 120.795 120.200 -0.126 0.000 2.107 468 E HA -0.152 4.198 4.350 -0.000 0.000 0.191 468 E C 2.322 178.880 176.600 -0.071 0.000 0.982 468 E CA 1.165 57.517 56.400 -0.080 0.000 0.809 468 E CB -0.151 29.511 29.700 -0.062 0.000 0.756 468 E HN 0.501 nan 8.360 nan 0.000 0.459 469 A N 0.763 123.528 122.820 -0.092 0.000 1.969 469 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 469 A C 2.081 179.623 177.584 -0.070 0.000 1.169 469 A CA 0.797 52.803 52.037 -0.053 0.000 0.635 469 A CB -0.326 18.648 19.000 -0.043 0.000 0.810 469 A HN 0.212 nan 8.150 nan 0.000 0.445 470 L N 0.350 121.474 121.223 -0.165 0.000 2.044 470 L HA -0.086 4.254 4.340 -0.000 0.000 0.205 470 L C 2.728 179.523 176.870 -0.124 0.000 1.075 470 L CA 2.859 57.541 54.840 -0.263 0.000 0.747 470 L CB -0.926 40.969 42.059 -0.272 0.000 0.903 470 L HN 0.522 nan 8.230 nan 0.000 0.435 471 T N -3.556 110.953 114.554 -0.075 0.000 2.915 471 T HA -0.186 4.164 4.350 -0.000 0.000 0.269 471 T C 1.735 176.435 174.700 0.001 0.000 1.071 471 T CA 1.201 63.284 62.100 -0.027 0.000 1.132 471 T CB -0.480 68.371 68.868 -0.028 0.000 0.878 471 T HN 0.535 nan 8.240 nan 0.000 0.479 472 E N 1.547 121.748 120.200 0.002 0.000 2.072 472 E HA -0.053 4.297 4.350 -0.000 0.000 0.191 472 E C 2.394 179.025 176.600 0.050 0.000 0.985 472 E CA 0.949 57.362 56.400 0.020 0.000 0.801 472 E CB -0.409 29.302 29.700 0.018 0.000 0.750 472 E HN 0.637 nan 8.360 nan 0.000 0.452 473 A N 1.005 123.879 122.820 0.090 0.000 1.968 473 A HA -0.098 4.222 4.320 -0.000 0.000 0.217 473 A C 2.049 179.726 177.584 0.155 0.000 1.169 473 A CA 0.802 52.939 52.037 0.167 0.000 0.638 473 A CB -0.282 18.943 19.000 0.376 0.000 0.812 473 A HN 0.284 nan 8.150 nan 0.000 0.446 474 I N -0.044 120.599 120.570 0.122 0.000 2.233 474 I HA -0.159 4.011 4.170 -0.000 0.000 0.243 474 I C 2.188 178.342 176.117 0.062 0.000 1.093 474 I CA 1.403 62.764 61.300 0.101 0.000 1.380 474 I CB -1.278 36.765 38.000 0.072 0.000 1.067 474 I HN 0.335 nan 8.210 nan 0.000 0.413 475 K N 0.287 120.712 120.400 0.043 0.000 2.063 475 K HA -0.205 4.115 4.320 -0.000 0.000 0.208 475 K C 2.150 178.764 176.600 0.024 0.000 1.048 475 K CA 1.518 57.822 56.287 0.027 0.000 0.928 475 K CB -0.208 32.303 32.500 0.018 0.000 0.713 475 K HN 0.222 nan 8.250 nan 0.000 0.442 476 M N 0.425 120.042 119.600 0.027 0.000 2.117 476 M HA -0.180 4.300 4.480 -0.000 0.000 0.262 476 M C 2.068 178.372 176.300 0.008 0.000 1.065 476 M CA 1.790 57.099 55.300 0.014 0.000 1.114 476 M CB -0.054 32.556 32.600 0.017 0.000 1.361 476 M HN 0.193 nan 8.290 nan 0.000 0.408 477 A N -0.608 122.225 122.820 0.021 0.000 2.066 477 A HA -0.099 4.221 4.320 -0.000 0.000 0.218 477 A C 1.958 179.552 177.584 0.016 0.000 1.157 477 A CA 1.249 53.294 52.037 0.013 0.000 0.670 477 A CB -0.418 18.599 19.000 0.029 0.000 0.804 477 A HN 0.454 nan 8.150 nan 0.000 0.453 478 R N -0.444 120.070 120.500 0.023 0.000 2.275 478 R HA 0.242 4.582 4.340 -0.000 0.000 0.199 478 R C 1.594 177.902 176.300 0.013 0.000 0.989 478 R CA 0.937 57.051 56.100 0.023 0.000 1.016 478 R CB -0.457 29.860 30.300 0.028 0.000 0.918 478 R HN 0.375 nan 8.270 nan 0.000 0.473 479 A N -0.992 121.832 122.820 0.007 0.000 2.275 479 A HA 0.364 4.684 4.320 -0.000 0.000 0.212 479 A C 1.238 178.820 177.584 -0.004 0.000 1.201 479 A CA 0.487 52.525 52.037 0.001 0.000 0.843 479 A CB -0.314 18.686 19.000 -0.001 0.000 0.873 479 A HN 0.352 nan 8.150 nan 0.000 0.492 480 G N -1.107 107.690 108.800 -0.006 0.000 2.143 480 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.249 480 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.249 480 G C -0.018 174.869 174.900 -0.023 0.000 0.981 480 G CA 0.286 45.379 45.100 -0.012 0.000 0.665 480 G HN 0.465 nan 8.290 nan 0.000 0.528 481 L N 0.462 121.668 121.223 -0.029 0.000 2.272 481 L HA 0.695 5.035 4.340 -0.000 0.000 0.289 481 L C 0.902 177.725 176.870 -0.077 0.000 1.032 481 L CA 0.076 54.885 54.840 -0.051 0.000 0.810 481 L CB 1.153 43.188 42.059 -0.040 0.000 1.205 481 L HN 0.821 nan 8.230 nan 0.000 0.422 482 G N 1.519 110.233 108.800 -0.142 0.000 2.359 482 G HA2 0.022 3.982 3.960 -0.000 0.000 0.303 482 G HA3 0.022 3.982 3.960 -0.000 0.000 0.303 482 G C -1.554 173.212 174.900 -0.224 0.000 1.293 482 G CA -0.907 44.070 45.100 -0.205 0.000 0.964 482 G HN 0.468 nan 8.290 nan 0.000 0.531 483 H N -0.046 119.016 119.070 -0.015 0.000 2.502 483 H HA 0.494 5.050 4.556 0.000 0.000 0.338 483 H C 1.041 176.337 175.328 -0.054 0.000 1.155 483 H CA -0.108 55.934 56.048 -0.011 0.000 1.237 483 H CB 2.102 31.883 29.762 0.031 0.000 1.534 483 H HN 0.735 nan 8.280 nan 0.000 0.523 484 E N 1.046 121.263 120.200 0.028 0.000 2.318 484 E HA -0.073 4.277 4.350 -0.000 0.000 0.193 484 E C 0.205 176.657 176.600 -0.247 0.000 0.998 484 E CA 0.267 56.565 56.400 -0.171 0.000 0.859 484 E CB 0.347 29.861 29.700 -0.309 0.000 0.812 484 E HN 0.544 nan 8.360 nan 0.000 0.492 485 H N 0.281 119.373 119.070 0.036 0.000 2.524 485 H HA 0.271 4.827 4.556 0.000 0.000 0.280 485 H C -0.164 175.166 175.328 0.002 0.000 1.018 485 H CA 0.304 56.351 56.048 -0.001 0.000 1.165 485 H CB 0.394 30.128 29.762 -0.047 0.000 1.411 485 H HN -0.012 nan 8.280 nan 0.000 0.569 486 K N 0.764 121.221 120.400 0.095 0.000 2.480 486 K HA 0.385 4.705 4.320 -0.000 0.000 0.258 486 K C -2.850 173.762 176.600 0.020 0.000 0.990 486 K CA -1.944 54.373 56.287 0.050 0.000 0.857 486 K CB 1.931 34.467 32.500 0.059 0.000 1.384 486 K HN -0.132 nan 8.250 nan 0.000 0.446 487 P HA -0.010 nan 4.420 nan 0.000 0.271 487 P C 0.879 178.160 177.300 -0.033 0.000 1.233 487 P CA -0.363 62.735 63.100 -0.004 0.000 0.789 487 P CB 0.514 32.199 31.700 -0.025 0.000 0.951 488 V N 0.274 120.179 119.914 -0.014 0.000 2.282 488 V HA -0.074 4.046 4.120 -0.000 0.000 0.249 488 V C 1.256 177.331 176.094 -0.032 0.000 1.057 488 V CA 2.379 64.679 62.300 -0.000 0.000 1.032 488 V CB -1.343 30.504 31.823 0.040 0.000 0.645 488 V HN 0.878 nan 8.190 nan 0.000 0.447 489 G N -1.680 107.058 108.800 -0.104 0.000 2.755 489 G HA2 0.537 4.497 3.960 -0.000 0.000 0.297 489 G HA3 0.537 4.497 3.960 -0.000 0.000 0.297 489 G C -1.349 173.145 174.900 -0.678 0.000 1.441 489 G CA -0.258 44.575 45.100 -0.444 0.000 0.964 489 G HN 0.017 nan 8.290 nan 0.000 0.540 490 S N 0.463 115.553 115.700 -1.016 0.000 2.707 490 S HA 0.715 5.185 4.470 -0.000 0.000 0.312 490 S C -1.092 173.009 174.600 -0.833 0.000 1.116 490 S CA -0.393 57.402 58.200 -0.674 0.000 1.078 490 S CB 0.329 63.275 63.200 -0.425 0.000 0.997 490 S HN 0.411 nan 8.310 nan 0.000 0.477 491 F N 1.887 121.759 119.950 -0.129 0.000 2.561 491 F HA 0.657 5.184 4.527 0.000 0.000 0.321 491 F C -0.402 175.322 175.800 -0.126 0.000 1.065 491 F CA -1.208 56.736 58.000 -0.093 0.000 0.934 491 F CB 1.223 40.225 39.000 0.003 0.000 1.215 491 F HN 0.299 nan 8.300 nan 0.000 0.471 492 L N 3.249 124.556 121.223 0.140 0.000 2.324 492 L HA 0.469 4.809 4.340 -0.000 0.000 0.274 492 L C -1.388 175.605 176.870 0.204 0.000 1.012 492 L CA -0.383 54.477 54.840 0.033 0.000 0.859 492 L CB 0.056 42.020 42.059 -0.158 0.000 1.224 492 L HN 0.498 nan 8.230 nan 0.000 0.429 493 F N 4.868 124.797 119.950 -0.035 0.000 2.434 493 F HA 0.520 5.047 4.527 0.000 0.000 0.358 493 F C 0.889 176.632 175.800 -0.094 0.000 1.136 493 F CA -0.631 57.356 58.000 -0.021 0.000 1.157 493 F CB 0.868 39.793 39.000 -0.126 0.000 1.167 493 F HN 0.658 nan 8.300 nan 0.000 0.539 494 A N 3.479 126.345 122.820 0.077 0.000 2.337 494 A HA 0.939 5.259 4.320 -0.000 0.000 0.329 494 A C -0.010 177.677 177.584 0.171 0.000 1.146 494 A CA -0.182 51.883 52.037 0.045 0.000 0.800 494 A CB 1.538 20.464 19.000 -0.124 0.000 1.220 494 A HN 0.901 nan 8.150 nan 0.000 0.472 495 G N 0.859 109.741 108.800 0.137 0.000 2.320 495 G HA2 0.485 4.445 3.960 -0.000 0.000 0.297 495 G HA3 0.485 4.445 3.960 -0.000 0.000 0.297 495 G C -3.592 171.331 174.900 0.039 0.000 1.344 495 G CA -0.608 44.569 45.100 0.127 0.000 0.851 495 G HN 0.580 nan 8.290 nan 0.000 0.567 496 P HA 0.375 nan 4.420 nan 0.000 0.275 496 P C 0.237 177.541 177.300 0.007 0.000 1.270 496 P CA -0.048 63.036 63.100 -0.027 0.000 0.791 496 P CB 0.346 31.954 31.700 -0.153 0.000 1.089 497 T N 0.230 114.803 114.554 0.030 0.000 2.884 497 T HA 0.401 4.751 4.350 -0.000 0.000 0.298 497 T C 0.976 175.698 174.700 0.036 0.000 0.998 497 T CA 1.067 63.180 62.100 0.022 0.000 1.124 497 T CB -0.453 68.424 68.868 0.016 0.000 0.931 497 T HN 0.813 nan 8.240 nan 0.000 0.531 498 G N 1.808 110.627 108.800 0.032 0.000 2.246 498 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.273 498 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.273 498 G C 0.612 175.585 174.900 0.123 0.000 1.055 498 G CA 0.268 45.407 45.100 0.066 0.000 0.851 498 G HN 1.174 nan 8.290 nan 0.000 0.500 499 V N -4.023 115.945 119.914 0.090 0.000 3.528 499 V HA 0.708 4.828 4.120 -0.000 0.000 0.294 499 V C 1.616 177.794 176.094 0.138 0.000 1.404 499 V CA 1.056 63.444 62.300 0.146 0.000 1.065 499 V CB 0.351 32.271 31.823 0.161 0.000 0.904 499 V HN 2.133 nan 8.190 nan 0.000 0.435 500 G N 0.668 109.491 108.800 0.038 0.000 2.183 500 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.168 500 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.168 500 G C 0.626 175.456 174.900 -0.118 0.000 1.008 500 G CA 0.236 45.356 45.100 0.034 0.000 0.677 500 G HN 0.424 nan 8.290 nan 0.000 0.498 501 K N 0.008 120.158 120.400 -0.416 0.000 2.002 501 K HA -0.032 4.288 4.320 -0.000 0.000 0.209 501 K C 2.568 179.133 176.600 -0.058 0.000 1.048 501 K CA 1.943 57.894 56.287 -0.561 0.000 0.930 501 K CB -0.280 31.893 32.500 -0.546 0.000 0.714 501 K HN 0.295 nan 8.250 nan 0.000 0.438 502 T N 0.869 115.395 114.554 -0.047 0.000 2.777 502 T HA -0.147 4.203 4.350 -0.000 0.000 0.266 502 T C 1.771 176.481 174.700 0.017 0.000 1.040 502 T CA 1.513 63.613 62.100 -0.000 0.000 1.141 502 T CB -0.170 68.694 68.868 -0.007 0.000 0.868 502 T HN 0.257 nan 8.240 nan 0.000 0.444 503 E N 1.126 121.332 120.200 0.009 0.000 2.085 503 E HA -0.108 4.242 4.350 -0.000 0.000 0.194 503 E C 2.103 178.715 176.600 0.020 0.000 0.994 503 E CA 0.976 57.377 56.400 0.002 0.000 0.801 503 E CB -0.715 28.976 29.700 -0.015 0.000 0.743 503 E HN 0.224 nan 8.360 nan 0.000 0.453 504 V N 0.483 120.441 119.914 0.072 0.000 2.332 504 V HA -0.291 3.829 4.120 -0.000 0.000 0.248 504 V C 2.640 178.819 176.094 0.141 0.000 1.055 504 V CA 2.343 64.717 62.300 0.124 0.000 1.038 504 V CB -1.028 30.940 31.823 0.242 0.000 0.651 504 V HN 0.663 nan 8.190 nan 0.000 0.450 505 T N -2.285 112.366 114.554 0.162 0.000 2.904 505 T HA -0.103 4.247 4.350 -0.000 0.000 0.267 505 T C 1.806 176.521 174.700 0.025 0.000 1.059 505 T CA 1.610 63.759 62.100 0.082 0.000 1.137 505 T CB -0.149 68.717 68.868 -0.003 0.000 0.879 505 T HN 0.211 nan 8.240 nan 0.000 0.467 506 V N 1.677 121.599 119.914 0.014 0.000 2.343 506 V HA -0.121 3.999 4.120 -0.000 0.000 0.247 506 V C 3.072 179.159 176.094 -0.012 0.000 1.051 506 V CA 1.709 64.004 62.300 -0.009 0.000 1.036 506 V CB -0.671 31.144 31.823 -0.015 0.000 0.654 506 V HN 0.449 nan 8.190 nan 0.000 0.451 507 Q N -0.768 119.027 119.800 -0.007 0.000 2.167 507 Q HA -0.102 4.238 4.340 -0.000 0.000 0.202 507 Q C 2.161 178.157 176.000 -0.006 0.000 0.970 507 Q CA 1.195 56.988 55.803 -0.017 0.000 0.855 507 Q CB -0.623 28.096 28.738 -0.032 0.000 0.911 507 Q HN 0.552 nan 8.270 nan 0.000 0.438 508 L N 1.103 122.333 121.223 0.013 0.000 2.046 508 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 508 L C 2.165 179.040 176.870 0.009 0.000 1.077 508 L CA 2.145 56.995 54.840 0.018 0.000 0.747 508 L CB -0.681 41.402 42.059 0.039 0.000 0.896 508 L HN 0.218 nan 8.230 nan 0.000 0.432 509 S N -1.634 114.067 115.700 0.001 0.000 2.406 509 S HA -0.150 4.320 4.470 -0.000 0.000 0.228 509 S C 1.986 176.577 174.600 -0.016 0.000 1.020 509 S CA 0.840 59.035 58.200 -0.008 0.000 0.965 509 S CB -0.480 62.706 63.200 -0.023 0.000 0.798 509 S HN 0.479 nan 8.310 nan 0.000 0.488 510 K N 1.319 121.708 120.400 -0.018 0.000 2.167 510 K HA 0.225 4.545 4.320 -0.000 0.000 0.203 510 K C 2.322 178.913 176.600 -0.015 0.000 1.052 510 K CA 0.906 57.181 56.287 -0.021 0.000 0.956 510 K CB -0.304 32.181 32.500 -0.025 0.000 0.735 510 K HN 0.474 nan 8.250 nan 0.000 0.451 511 A N 0.736 123.550 122.820 -0.011 0.000 2.067 511 A HA 0.023 4.343 4.320 -0.000 0.000 0.217 511 A C 1.793 179.376 177.584 -0.002 0.000 1.156 511 A CA 0.767 52.799 52.037 -0.008 0.000 0.683 511 A CB -0.135 18.860 19.000 -0.008 0.000 0.808 511 A HN 0.135 nan 8.150 nan 0.000 0.455 512 L N -1.566 119.659 121.223 0.002 0.000 2.554 512 L HA 0.216 4.556 4.340 -0.000 0.000 0.225 512 L C 1.528 178.401 176.870 0.005 0.000 1.104 512 L CA 0.556 55.402 54.840 0.011 0.000 0.866 512 L CB -0.043 42.031 42.059 0.025 0.000 1.047 512 L HN 0.534 nan 8.230 nan 0.000 0.468 513 G N 2.010 110.806 108.800 -0.005 0.000 2.198 513 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.257 513 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.257 513 G C 0.127 175.019 174.900 -0.014 0.000 1.042 513 G CA 0.590 45.682 45.100 -0.013 0.000 0.791 513 G HN 0.448 nan 8.290 nan 0.000 0.502 514 I N -4.324 116.240 120.570 -0.010 0.000 2.957 514 I HA 0.791 4.961 4.170 -0.000 0.000 0.310 514 I C 0.215 176.299 176.117 -0.055 0.000 1.063 514 I CA -1.532 59.764 61.300 -0.008 0.000 1.033 514 I CB 1.505 39.528 38.000 0.038 0.000 1.230 514 I HN -0.128 nan 8.210 nan 0.000 0.447 515 E N 1.702 121.839 120.200 -0.105 0.000 2.392 515 E HA 0.273 4.623 4.350 -0.000 0.000 0.259 515 E C -1.234 175.279 176.600 -0.145 0.000 1.108 515 E CA -0.360 55.910 56.400 -0.217 0.000 0.916 515 E CB 1.757 31.126 29.700 -0.551 0.000 0.989 515 E HN 0.457 nan 8.360 nan 0.000 0.432 516 L N 3.638 124.769 121.223 -0.154 0.000 2.319 516 L HA 0.327 4.667 4.340 -0.000 0.000 0.281 516 L C -1.280 175.517 176.870 -0.122 0.000 1.005 516 L CA -0.239 54.538 54.840 -0.105 0.000 0.828 516 L CB 0.715 42.724 42.059 -0.084 0.000 1.227 516 L HN 0.302 nan 8.230 nan 0.000 0.415 517 L N 5.508 126.677 121.223 -0.090 0.000 2.282 517 L HA 0.631 4.971 4.340 -0.000 0.000 0.288 517 L C -0.032 176.738 176.870 -0.166 0.000 1.033 517 L CA -0.525 54.242 54.840 -0.121 0.000 0.807 517 L CB 1.368 43.439 42.059 0.020 0.000 1.209 517 L HN 0.614 nan 8.230 nan 0.000 0.423 518 R N 3.026 123.301 120.500 -0.375 0.000 2.621 518 R HA 0.695 5.035 4.340 -0.000 0.000 0.292 518 R C -1.827 174.123 176.300 -0.583 0.000 0.969 518 R CA -0.513 55.407 56.100 -0.299 0.000 0.887 518 R CB 1.585 31.779 30.300 -0.176 0.000 1.180 518 R HN 0.421 nan 8.270 nan 0.000 0.450 519 F N 1.639 121.600 119.950 0.019 0.000 2.561 519 F HA 0.223 4.750 4.527 0.000 0.000 0.313 519 F C -0.210 175.630 175.800 0.066 0.000 1.126 519 F CA -0.880 57.150 58.000 0.051 0.000 0.918 519 F CB 2.034 41.012 39.000 -0.037 0.000 1.199 519 F HN 0.337 nan 8.300 nan 0.000 0.444 520 D N 3.857 124.445 120.400 0.313 0.000 2.295 520 D HA 0.174 4.814 4.640 -0.000 0.000 0.248 520 D C 0.749 177.215 176.300 0.277 0.000 1.154 520 D CA -0.170 53.956 54.000 0.210 0.000 0.857 520 D CB 1.203 42.085 40.800 0.137 0.000 1.117 520 D HN 0.412 nan 8.370 nan 0.000 0.468 521 M N 2.147 121.846 119.600 0.166 0.000 2.562 521 M HA -0.096 4.384 4.480 -0.000 0.000 0.257 521 M C 1.836 178.178 176.300 0.070 0.000 1.099 521 M CA 0.484 55.868 55.300 0.141 0.000 1.099 521 M CB -0.854 31.778 32.600 0.052 0.000 1.427 521 M HN 0.360 nan 8.290 nan 0.000 0.489 522 S N -0.626 115.090 115.700 0.027 0.000 2.522 522 S HA 0.004 4.474 4.470 -0.000 0.000 0.227 522 S C 1.320 175.831 174.600 -0.149 0.000 0.986 522 S CA 0.516 58.685 58.200 -0.052 0.000 0.929 522 S CB -0.080 63.105 63.200 -0.025 0.000 0.769 522 S HN 0.325 nan 8.310 nan 0.000 0.529 523 E N 0.276 120.379 120.200 -0.162 0.000 2.474 523 E HA 0.198 4.548 4.350 -0.000 0.000 0.195 523 E C -0.461 175.557 176.600 -0.970 0.000 1.039 523 E CA 0.176 56.316 56.400 -0.434 0.000 0.881 523 E CB 0.026 29.552 29.700 -0.289 0.000 0.970 523 E HN 0.766 nan 8.360 nan 0.000 0.486 524 Y N -0.543 119.521 120.300 -0.393 0.000 2.706 524 Y HA 0.307 4.857 4.550 -0.000 0.000 0.255 524 Y C 0.574 176.247 175.900 -0.379 0.000 1.163 524 Y CA -0.326 57.513 58.100 -0.435 0.000 1.174 524 Y CB 0.268 38.621 38.460 -0.179 0.000 1.200 524 Y HN -0.118 nan 8.280 nan 0.000 0.544 525 M N 0.041 119.415 119.600 -0.377 0.000 2.250 525 M HA 0.132 4.612 4.480 -0.000 0.000 0.344 525 M C 1.336 177.418 176.300 -0.363 0.000 1.150 525 M CA 0.247 55.353 55.300 -0.322 0.000 1.147 525 M CB 1.258 33.592 32.600 -0.443 0.000 1.498 525 M HN 0.240 nan 8.290 nan 0.000 0.461 526 E N 1.591 121.680 120.200 -0.185 0.000 2.107 526 E HA -0.127 4.223 4.350 -0.000 0.000 0.191 526 E C 0.876 177.561 176.600 0.142 0.000 0.982 526 E CA 1.180 57.555 56.400 -0.041 0.000 0.809 526 E CB 0.360 29.896 29.700 -0.273 0.000 0.756 526 E HN 0.676 nan 8.360 nan 0.000 0.459 527 R N -1.951 118.652 120.500 0.172 0.000 2.517 527 R HA 0.163 4.503 4.340 -0.000 0.000 0.434 527 R C 0.453 176.898 176.300 0.242 0.000 0.884 527 R CA -0.216 56.001 56.100 0.195 0.000 1.090 527 R CB -0.440 29.932 30.300 0.120 0.000 1.601 527 R HN 0.009 nan 8.270 nan 0.000 0.579 528 H N 0.880 119.947 119.070 -0.005 0.000 2.470 528 H HA 0.142 4.698 4.556 -0.000 0.000 0.289 528 H C 0.012 175.332 175.328 -0.014 0.000 1.033 528 H CA 1.048 57.088 56.048 -0.014 0.000 1.331 528 H CB 0.490 30.237 29.762 -0.025 0.000 1.414 528 H HN 0.074 nan 8.280 nan 0.000 0.545 529 T N 0.762 115.378 114.554 0.104 0.000 2.743 529 T HA 0.381 4.731 4.350 -0.000 0.000 0.292 529 T C 0.818 175.540 174.700 0.037 0.000 0.972 529 T CA -0.070 62.060 62.100 0.050 0.000 0.967 529 T CB 1.689 70.574 68.868 0.027 0.000 0.926 529 T HN 0.134 nan 8.240 nan 0.000 0.459 530 V N 2.635 122.560 119.914 0.018 0.000 4.060 530 V HA 0.151 4.271 4.120 -0.000 0.000 0.170 530 V C 2.073 178.167 176.094 0.001 0.000 1.358 530 V CA 0.842 63.147 62.300 0.008 0.000 1.213 530 V CB 0.090 31.915 31.823 0.003 0.000 1.269 530 V HN 0.721 nan 8.190 nan 0.000 0.591 531 S N 0.009 115.707 115.700 -0.003 0.000 2.500 531 S HA -0.106 4.364 4.470 -0.000 0.000 0.239 531 S C 1.769 176.367 174.600 -0.002 0.000 0.989 531 S CA 1.926 60.123 58.200 -0.005 0.000 0.951 531 S CB -0.396 62.799 63.200 -0.008 0.000 0.759 531 S HN 0.639 nan 8.310 nan 0.000 0.523 532 R N -0.268 120.232 120.500 0.000 0.000 2.060 532 R HA 0.308 4.648 4.340 -0.000 0.000 0.218 532 R C 1.652 177.953 176.300 0.002 0.000 1.200 532 R CA 1.444 57.545 56.100 0.002 0.000 0.935 532 R CB -0.185 30.117 30.300 0.004 0.000 0.814 532 R HN 0.329 nan 8.270 nan 0.000 0.460 533 L N -1.641 119.584 121.223 0.003 0.000 1.589 533 L HA 0.246 4.586 4.340 -0.000 0.000 0.161 533 L C -0.365 176.506 176.870 0.002 0.000 1.300 533 L CA -0.256 54.586 54.840 0.002 0.000 1.196 533 L CB 0.480 42.541 42.059 0.003 0.000 2.497 533 L HN 0.043 nan 8.230 nan 0.000 0.492 534 I N 1.471 122.045 120.570 0.006 0.000 2.710 534 I HA 0.311 4.481 4.170 -0.000 0.000 0.286 534 I C 0.429 176.550 176.117 0.008 0.000 1.181 534 I CA 0.719 62.023 61.300 0.007 0.000 1.430 534 I CB 0.346 38.353 38.000 0.011 0.000 1.367 534 I HN 0.246 nan 8.210 nan 0.000 0.577 535 G N 4.399 113.196 108.800 -0.005 0.000 2.152 535 G HA2 0.591 4.551 3.960 -0.000 0.000 0.290 535 G HA3 0.591 4.551 3.960 -0.000 0.000 0.290 535 G C -0.916 173.933 174.900 -0.086 0.000 1.307 535 G CA -0.165 44.924 45.100 -0.019 0.000 1.289 535 G HN 0.852 nan 8.290 nan 0.000 0.612 536 A N 3.668 126.380 122.820 -0.180 0.000 3.422 536 A HA 0.711 5.030 4.320 -0.000 0.000 0.271 536 A C -2.255 174.733 177.584 -0.992 0.000 1.104 536 A CA -0.904 50.888 52.037 -0.408 0.000 0.899 536 A CB 1.235 20.039 19.000 -0.326 0.000 1.309 536 A HN 0.308 nan 8.150 nan 0.000 0.580 537 P HA 0.127 nan 4.420 nan 0.000 0.249 537 P C -1.748 175.232 177.300 -0.533 0.000 1.229 537 P CA 0.303 62.852 63.100 -0.920 0.000 0.788 537 P CB -0.349 31.154 31.700 -0.328 0.000 1.072 538 P HA -0.049 nan 4.420 nan 0.000 0.231 538 P C 1.138 178.362 177.300 -0.126 0.000 1.158 538 P CA 1.294 64.288 63.100 -0.175 0.000 0.763 538 P CB -0.228 31.407 31.700 -0.108 0.000 0.805 539 G N -2.902 105.738 108.800 -0.267 0.000 3.345 539 G HA2 0.232 4.192 3.960 -0.000 0.000 0.202 539 G HA3 0.232 4.192 3.960 -0.000 0.000 0.202 539 G C 0.138 174.999 174.900 -0.064 0.000 1.740 539 G CA 0.117 45.199 45.100 -0.030 0.000 0.806 539 G HN 0.111 nan 8.290 nan 0.000 0.718 540 Y N -1.523 118.676 120.300 -0.168 0.000 2.709 540 Y HA -0.385 4.165 4.550 0.000 0.000 0.481 540 Y C 2.586 178.654 175.900 0.280 0.000 1.059 540 Y CA 1.172 59.294 58.100 0.035 0.000 3.016 540 Y CB -1.370 37.017 38.460 -0.122 0.000 1.024 540 Y HN 0.133 nan 8.280 nan 0.000 0.589 541 V N 0.144 120.242 119.914 0.306 0.000 2.453 541 V HA -0.185 3.935 4.120 -0.000 0.000 0.247 541 V C 2.306 178.506 176.094 0.177 0.000 1.048 541 V CA 2.145 64.560 62.300 0.191 0.000 1.049 541 V CB -0.934 30.963 31.823 0.123 0.000 0.672 541 V HN 0.731 nan 8.190 nan 0.000 0.457 542 G N -1.110 107.803 108.800 0.187 0.000 2.448 542 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.218 542 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.218 542 G C 1.421 176.501 174.900 0.300 0.000 1.135 542 G CA 0.317 45.527 45.100 0.184 0.000 0.784 542 G HN 0.391 nan 8.290 nan 0.000 0.543 543 F N 1.451 121.487 119.950 0.143 0.000 2.128 543 F HA 0.080 4.607 4.527 -0.000 0.000 0.295 543 F C 2.317 178.193 175.800 0.127 0.000 1.100 543 F CA 0.795 58.910 58.000 0.193 0.000 1.260 543 F CB -0.250 38.985 39.000 0.392 0.000 1.009 543 F HN 0.054 nan 8.300 nan 0.000 0.476 544 D N -0.561 119.995 120.400 0.260 0.000 2.077 544 D HA -0.133 4.507 4.640 -0.000 0.000 0.196 544 D C 2.323 178.606 176.300 -0.029 0.000 0.986 544 D CA 1.025 54.990 54.000 -0.058 0.000 0.829 544 D CB -0.364 40.308 40.800 -0.213 0.000 0.983 544 D HN 0.088 nan 8.370 nan 0.000 0.453 545 Q N 0.360 120.172 119.800 0.021 0.000 1.917 545 Q HA -0.059 4.281 4.340 -0.000 0.000 0.205 545 Q C 2.303 178.317 176.000 0.023 0.000 0.988 545 Q CA 1.665 57.480 55.803 0.019 0.000 0.851 545 Q CB -1.269 27.486 28.738 0.030 0.000 0.916 545 Q HN 0.328 nan 8.270 nan 0.000 0.424 546 G N -0.305 108.517 108.800 0.036 0.000 2.631 546 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.219 546 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.219 546 G C 1.141 176.042 174.900 0.001 0.000 1.214 546 G CA 1.647 46.759 45.100 0.020 0.000 0.785 546 G HN 0.533 nan 8.290 nan 0.000 0.596 547 G N -0.606 108.188 108.800 -0.010 0.000 2.727 547 G HA2 0.366 4.326 3.960 -0.000 0.000 0.212 547 G HA3 0.366 4.326 3.960 -0.000 0.000 0.212 547 G C 1.350 176.245 174.900 -0.007 0.000 2.076 547 G CA 0.275 45.358 45.100 -0.027 0.000 0.744 547 G HN 0.327 nan 8.290 nan 0.000 0.775 548 L N 0.033 121.255 121.223 -0.002 0.000 2.386 548 L HA -0.316 4.024 4.340 -0.000 0.000 0.248 548 L C 2.703 179.621 176.870 0.080 0.000 1.129 548 L CA 2.018 56.909 54.840 0.086 0.000 0.812 548 L CB -1.182 40.982 42.059 0.175 0.000 0.995 548 L HN 0.342 nan 8.230 nan 0.000 0.419 549 L N -0.863 120.282 121.223 -0.130 0.000 1.997 549 L HA -0.231 4.109 4.340 -0.000 0.000 0.216 549 L C 2.520 179.395 176.870 0.008 0.000 1.074 549 L CA 2.767 57.505 54.840 -0.170 0.000 0.763 549 L CB -0.898 40.977 42.059 -0.306 0.000 0.890 549 L HN 0.396 nan 8.230 nan 0.000 0.434 550 T N -0.984 113.579 114.554 0.016 0.000 2.674 550 T HA -0.213 4.137 4.350 -0.000 0.000 0.265 550 T C 1.551 176.248 174.700 -0.005 0.000 1.039 550 T CA 1.553 63.670 62.100 0.028 0.000 1.150 550 T CB -0.492 68.395 68.868 0.031 0.000 0.864 550 T HN 0.559 nan 8.240 nan 0.000 0.427 551 D N 1.251 121.656 120.400 0.008 0.000 2.123 551 D HA -0.070 4.570 4.640 -0.000 0.000 0.196 551 D C 2.204 178.503 176.300 -0.001 0.000 0.992 551 D CA 1.350 55.350 54.000 -0.000 0.000 0.833 551 D CB -0.351 40.454 40.800 0.008 0.000 0.954 551 D HN 0.347 nan 8.370 nan 0.000 0.455 552 A N -0.255 122.598 122.820 0.055 0.000 1.930 552 A HA -0.072 4.248 4.320 -0.000 0.000 0.217 552 A C 2.452 180.049 177.584 0.021 0.000 1.175 552 A CA 1.455 53.546 52.037 0.090 0.000 0.627 552 A CB -0.636 18.499 19.000 0.226 0.000 0.815 552 A HN 0.232 nan 8.150 nan 0.000 0.443 553 V N -0.168 119.700 119.914 -0.075 0.000 2.871 553 V HA -0.139 3.981 4.120 -0.000 0.000 0.256 553 V C 2.208 178.188 176.094 -0.189 0.000 1.082 553 V CA 1.485 63.641 62.300 -0.239 0.000 1.105 553 V CB -0.486 30.945 31.823 -0.654 0.000 0.713 553 V HN 0.551 nan 8.190 nan 0.000 0.473 554 I N -0.441 120.054 120.570 -0.125 0.000 2.480 554 I HA -0.128 4.042 4.170 -0.000 0.000 0.251 554 I C 2.445 178.498 176.117 -0.106 0.000 1.124 554 I CA 1.156 62.398 61.300 -0.096 0.000 1.444 554 I CB -0.159 37.804 38.000 -0.061 0.000 1.098 554 I HN 0.177 nan 8.210 nan 0.000 0.428 555 K N 0.050 120.362 120.400 -0.146 0.000 2.103 555 K HA -0.066 4.254 4.320 -0.000 0.000 0.204 555 K C 0.296 176.637 176.600 -0.430 0.000 1.052 555 K CA 1.054 57.167 56.287 -0.289 0.000 0.945 555 K CB 0.254 32.547 32.500 -0.345 0.000 0.722 555 K HN 0.264 nan 8.250 nan 0.000 0.443 556 H N -0.371 118.682 119.070 -0.030 0.000 2.541 556 H HA 0.179 4.735 4.556 0.000 0.000 0.246 556 H C -2.245 173.055 175.328 -0.046 0.000 1.341 556 H CA -2.051 53.986 56.048 -0.017 0.000 1.469 556 H CB 1.532 31.286 29.762 -0.014 0.000 1.472 556 H HN 0.115 nan 8.280 nan 0.000 0.503 557 P HA -0.122 nan 4.420 nan 0.000 0.217 557 P C 0.355 177.596 177.300 -0.098 0.000 1.150 557 P CA 1.271 64.337 63.100 -0.056 0.000 0.832 557 P CB 0.304 31.991 31.700 -0.022 0.000 0.787 558 H N -0.142 118.935 119.070 0.012 0.000 2.820 558 H HA 0.586 5.142 4.556 -0.000 0.000 0.278 558 H C 0.073 175.405 175.328 0.007 0.000 1.142 558 H CA -0.280 55.774 56.048 0.009 0.000 1.346 558 H CB 0.485 30.256 29.762 0.014 0.000 1.438 558 H HN 0.071 nan 8.280 nan 0.000 0.473 559 A N 3.008 125.859 122.820 0.050 0.000 2.564 559 A HA 0.486 4.806 4.320 -0.000 0.000 0.291 559 A C -1.283 176.312 177.584 0.018 0.000 1.102 559 A CA -0.597 51.454 52.037 0.023 0.000 0.660 559 A CB 1.271 20.276 19.000 0.008 0.000 1.283 559 A HN 0.334 nan 8.150 nan 0.000 0.430 560 V N 1.025 120.944 119.914 0.007 0.000 2.384 560 V HA 0.492 4.612 4.120 -0.000 0.000 0.287 560 V C -0.934 175.168 176.094 0.013 0.000 1.020 560 V CA -0.369 61.940 62.300 0.015 0.000 0.850 560 V CB 1.208 33.033 31.823 0.004 0.000 0.987 560 V HN 0.753 nan 8.190 nan 0.000 0.436 561 L N 6.996 128.242 121.223 0.038 0.000 2.264 561 L HA 0.575 4.915 4.340 -0.000 0.000 0.287 561 L C -0.707 176.188 176.870 0.041 0.000 1.039 561 L CA -0.244 54.640 54.840 0.073 0.000 0.829 561 L CB 1.093 43.236 42.059 0.140 0.000 1.211 561 L HN 0.601 nan 8.230 nan 0.000 0.427 562 L N 6.444 127.681 121.223 0.023 0.000 2.264 562 L HA 0.513 4.853 4.340 -0.000 0.000 0.289 562 L C -1.172 175.723 176.870 0.042 0.000 1.044 562 L CA -0.018 54.816 54.840 -0.011 0.000 0.807 562 L CB 0.924 42.960 42.059 -0.039 0.000 1.192 562 L HN 0.527 nan 8.230 nan 0.000 0.425 563 L N 5.439 126.672 121.223 0.017 0.000 2.324 563 L HA 0.423 4.763 4.340 -0.000 0.000 0.274 563 L C -0.576 176.307 176.870 0.021 0.000 1.012 563 L CA -0.655 54.211 54.840 0.044 0.000 0.859 563 L CB 1.212 43.270 42.059 -0.003 0.000 1.224 563 L HN 0.557 nan 8.230 nan 0.000 0.429 564 D N 3.945 124.372 120.400 0.044 0.000 2.345 564 D HA 0.056 4.696 4.640 -0.000 0.000 0.247 564 D C 0.280 176.608 176.300 0.048 0.000 1.108 564 D CA 0.047 54.069 54.000 0.036 0.000 0.894 564 D CB 1.108 41.931 40.800 0.039 0.000 1.203 564 D HN 0.518 nan 8.370 nan 0.000 0.430 565 E N 0.645 120.875 120.200 0.050 0.000 2.252 565 E HA -0.250 4.100 4.350 -0.000 0.000 0.218 565 E C 0.877 177.528 176.600 0.086 0.000 1.253 565 E CA -0.245 56.196 56.400 0.068 0.000 0.705 565 E CB -1.082 28.648 29.700 0.050 0.000 1.172 565 E HN 0.421 nan 8.360 nan 0.000 0.369 566 I N 1.304 121.938 120.570 0.108 0.000 2.315 566 I HA -0.295 3.875 4.170 -0.000 0.000 0.251 566 I C 2.232 178.501 176.117 0.254 0.000 1.125 566 I CA 2.456 63.824 61.300 0.114 0.000 1.392 566 I CB -0.074 37.988 38.000 0.103 0.000 1.065 566 I HN 0.329 nan 8.210 nan 0.000 0.424 567 E N -0.117 120.239 120.200 0.260 0.000 2.265 567 E HA -0.210 4.140 4.350 -0.000 0.000 0.196 567 E C 1.789 178.404 176.600 0.025 0.000 0.996 567 E CA 1.231 57.673 56.400 0.070 0.000 0.832 567 E CB -0.489 29.194 29.700 -0.028 0.000 0.756 567 E HN 0.448 nan 8.360 nan 0.000 0.491 568 K N 0.537 120.969 120.400 0.054 0.000 2.404 568 K HA 0.265 4.585 4.320 -0.000 0.000 0.194 568 K C 0.367 176.977 176.600 0.018 0.000 1.023 568 K CA 0.200 56.488 56.287 0.001 0.000 1.094 568 K CB 0.491 32.981 32.500 -0.016 0.000 0.841 568 K HN 0.148 nan 8.250 nan 0.000 0.523 569 A N 1.361 124.256 122.820 0.125 0.000 2.371 569 A HA 0.080 4.400 4.320 -0.000 0.000 0.257 569 A C -0.497 177.234 177.584 0.245 0.000 1.089 569 A CA -0.187 51.938 52.037 0.147 0.000 0.794 569 A CB 0.035 19.041 19.000 0.011 0.000 1.029 569 A HN 0.327 nan 8.150 nan 0.000 0.488 570 H N 2.174 121.298 119.070 0.090 0.000 2.707 570 H HA 0.282 4.838 4.556 -0.000 0.000 0.359 570 H C -1.838 173.608 175.328 0.196 0.000 1.113 570 H CA -1.016 55.082 56.048 0.083 0.000 1.422 570 H CB 0.871 30.660 29.762 0.045 0.000 1.443 570 H HN 0.313 nan 8.280 nan 0.000 0.591 571 P HA -0.185 nan 4.420 nan 0.000 0.217 571 P C 0.793 178.083 177.300 -0.017 0.000 1.148 571 P CA 1.493 64.468 63.100 -0.209 0.000 0.834 571 P CB 0.285 31.752 31.700 -0.390 0.000 0.783 572 D N -1.297 119.121 120.400 0.030 0.000 2.144 572 D HA -0.104 4.536 4.640 -0.000 0.000 0.199 572 D C 1.907 178.281 176.300 0.122 0.000 0.984 572 D CA 0.903 55.007 54.000 0.173 0.000 0.834 572 D CB -0.622 40.376 40.800 0.329 0.000 0.955 572 D HN -0.003 nan 8.370 nan 0.000 0.465 573 V N 0.182 120.171 119.914 0.126 0.000 2.427 573 V HA -0.192 3.928 4.120 -0.000 0.000 0.248 573 V C 2.076 178.129 176.094 -0.069 0.000 1.051 573 V CA 1.114 63.405 62.300 -0.016 0.000 1.048 573 V CB -0.614 31.158 31.823 -0.085 0.000 0.666 573 V HN 0.096 nan 8.190 nan 0.000 0.456 574 F N 1.172 121.097 119.950 -0.042 0.000 2.171 574 F HA -0.150 4.377 4.527 -0.000 0.000 0.300 574 F C 2.221 178.026 175.800 0.009 0.000 1.090 574 F CA 2.111 60.098 58.000 -0.023 0.000 1.293 574 F CB -0.667 38.286 39.000 -0.078 0.000 1.013 574 F HN 0.210 nan 8.300 nan 0.000 0.486 575 N N 0.320 119.111 118.700 0.153 0.000 2.120 575 N HA -0.150 4.590 4.740 -0.000 0.000 0.188 575 N C 1.883 177.405 175.510 0.020 0.000 1.024 575 N CA 1.154 54.251 53.050 0.078 0.000 0.852 575 N CB -0.225 38.293 38.487 0.051 0.000 1.003 575 N HN 0.177 nan 8.380 nan 0.000 0.424 576 I N 0.709 121.273 120.570 -0.010 0.000 2.286 576 I HA -0.247 3.923 4.170 -0.000 0.000 0.248 576 I C 1.839 177.877 176.117 -0.132 0.000 1.115 576 I CA 1.002 62.257 61.300 -0.075 0.000 1.392 576 I CB -0.072 37.876 38.000 -0.087 0.000 1.065 576 I HN 0.202 nan 8.210 nan 0.000 0.418 577 L N -0.108 121.050 121.223 -0.109 0.000 2.093 577 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 577 L C 2.410 179.238 176.870 -0.070 0.000 1.085 577 L CA 1.057 55.823 54.840 -0.124 0.000 0.755 577 L CB -0.324 41.674 42.059 -0.101 0.000 0.904 577 L HN 0.282 nan 8.230 nan 0.000 0.435 578 L N -0.857 120.375 121.223 0.015 0.000 2.201 578 L HA -0.216 4.124 4.340 -0.000 0.000 0.212 578 L C 2.493 179.332 176.870 -0.052 0.000 1.105 578 L CA 1.124 55.974 54.840 0.016 0.000 0.775 578 L CB -0.343 41.761 42.059 0.074 0.000 0.913 578 L HN 0.364 nan 8.230 nan 0.000 0.440 579 Q N -0.847 118.906 119.800 -0.078 0.000 2.137 579 Q HA -0.122 4.218 4.340 -0.000 0.000 0.198 579 Q C 2.372 178.275 176.000 -0.163 0.000 0.960 579 Q CA 0.970 56.713 55.803 -0.101 0.000 0.847 579 Q CB 0.058 28.741 28.738 -0.091 0.000 0.915 579 Q HN 0.286 nan 8.270 nan 0.000 0.448 580 V N 0.905 120.661 119.914 -0.263 0.000 2.295 580 V HA -0.294 3.826 4.120 -0.000 0.000 0.246 580 V C 2.093 178.042 176.094 -0.242 0.000 1.049 580 V CA 1.816 63.871 62.300 -0.408 0.000 1.024 580 V CB -0.405 31.017 31.823 -0.669 0.000 0.648 580 V HN 0.459 nan 8.190 nan 0.000 0.447 581 M N -0.699 118.786 119.600 -0.192 0.000 2.460 581 M HA -0.123 4.357 4.480 -0.000 0.000 0.263 581 M C 1.418 177.658 176.300 -0.100 0.000 1.071 581 M CA 1.290 56.500 55.300 -0.149 0.000 1.096 581 M CB -0.340 32.156 32.600 -0.173 0.000 1.408 581 M HN 0.354 nan 8.290 nan 0.000 0.463 582 D N -0.234 120.113 120.400 -0.088 0.000 2.490 582 D HA 0.021 4.661 4.640 -0.000 0.000 0.244 582 D C 1.532 177.806 176.300 -0.044 0.000 0.979 582 D CA 0.839 54.802 54.000 -0.061 0.000 0.924 582 D CB -0.063 40.701 40.800 -0.060 0.000 1.075 582 D HN 0.225 nan 8.370 nan 0.000 0.488 583 N N -0.021 118.648 118.700 -0.052 0.000 2.405 583 N HA 0.074 4.814 4.740 -0.000 0.000 0.175 583 N C 1.410 176.931 175.510 0.018 0.000 1.051 583 N CA 1.011 54.047 53.050 -0.024 0.000 0.899 583 N CB 0.709 39.173 38.487 -0.038 0.000 1.000 583 N HN 0.228 nan 8.380 nan 0.000 0.451 584 G N 0.466 109.259 108.800 -0.011 0.000 2.168 584 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.263 584 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.263 584 G C 0.032 174.997 174.900 0.109 0.000 0.977 584 G CA 1.193 46.318 45.100 0.042 0.000 0.659 584 G HN 0.445 nan 8.290 nan 0.000 0.533 585 T N -0.693 113.893 114.554 0.053 0.000 2.865 585 T HA 0.782 5.132 4.350 -0.000 0.000 0.294 585 T C -0.656 174.066 174.700 0.038 0.000 1.119 585 T CA -0.730 61.445 62.100 0.124 0.000 1.007 585 T CB 2.899 71.814 68.868 0.077 0.000 1.225 585 T HN 0.524 nan 8.240 nan 0.000 0.515 586 L N 0.729 122.027 121.223 0.127 0.000 2.482 586 L HA 0.563 4.903 4.340 -0.000 0.000 0.263 586 L C -1.157 175.762 176.870 0.082 0.000 0.957 586 L CA -0.616 54.260 54.840 0.059 0.000 0.836 586 L CB 2.693 44.812 42.059 0.100 0.000 1.324 586 L HN 0.718 nan 8.230 nan 0.000 0.406 587 T N 1.248 115.825 114.554 0.037 0.000 2.809 587 T HA 0.305 4.655 4.350 -0.000 0.000 0.296 587 T C -1.059 173.657 174.700 0.026 0.000 1.015 587 T CA -0.293 61.827 62.100 0.033 0.000 0.954 587 T CB 0.936 69.816 68.868 0.020 0.000 0.950 587 T HN 0.516 nan 8.240 nan 0.000 0.450 588 D N 4.132 124.550 120.400 0.030 0.000 2.471 588 D HA 0.358 4.998 4.640 -0.000 0.000 0.245 588 D C -0.098 176.210 176.300 0.014 0.000 1.116 588 D CA -0.118 53.894 54.000 0.020 0.000 0.853 588 D CB 0.220 41.033 40.800 0.021 0.000 1.123 588 D HN 0.644 nan 8.370 nan 0.000 0.540 589 N N 2.326 121.030 118.700 0.005 0.000 4.654 589 N HA -0.178 4.562 4.740 -0.000 0.000 0.343 589 N C -0.878 174.635 175.510 0.005 0.000 1.678 589 N CA 0.196 53.245 53.050 -0.003 0.000 2.945 589 N CB -0.029 38.455 38.487 -0.006 0.000 0.396 589 N HN 0.584 nan 8.380 nan 0.000 0.828 590 N N 0.152 118.852 118.700 -0.001 0.000 2.458 590 N HA 0.438 5.178 4.740 -0.000 0.000 0.271 590 N C 1.046 176.572 175.510 0.026 0.000 1.210 590 N CA 0.746 53.805 53.050 0.014 0.000 0.978 590 N CB 1.359 39.856 38.487 0.017 0.000 1.206 590 N HN 0.846 nan 8.380 nan 0.000 0.536 591 G N 0.308 109.132 108.800 0.040 0.000 2.154 591 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.186 591 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.186 591 G C -0.172 174.752 174.900 0.041 0.000 1.000 591 G CA -0.210 44.920 45.100 0.049 0.000 0.664 591 G HN 0.679 nan 8.290 nan 0.000 0.513 592 R N -0.683 119.840 120.500 0.037 0.000 3.079 592 R HA -0.182 4.158 4.340 -0.000 0.000 0.254 592 R C 1.841 178.165 176.300 0.040 0.000 0.900 592 R CA 1.134 57.257 56.100 0.039 0.000 0.641 592 R CB -1.015 29.308 30.300 0.038 0.000 1.307 592 R HN 0.587 nan 8.270 nan 0.000 0.477 593 K N 0.975 121.397 120.400 0.037 0.000 1.977 593 K HA -0.113 4.207 4.320 -0.000 0.000 0.218 593 K C 0.945 177.561 176.600 0.026 0.000 1.051 593 K CA 1.893 58.197 56.287 0.028 0.000 0.953 593 K CB -0.037 32.477 32.500 0.024 0.000 0.727 593 K HN 0.480 nan 8.250 nan 0.000 0.445 594 A N 2.428 125.281 122.820 0.055 0.000 2.395 594 A HA 0.046 4.366 4.320 -0.000 0.000 0.286 594 A C -0.920 176.726 177.584 0.104 0.000 1.193 594 A CA -0.147 51.920 52.037 0.051 0.000 0.852 594 A CB 0.152 19.250 19.000 0.164 0.000 1.118 594 A HN 0.275 nan 8.150 nan 0.000 0.524 595 D N 2.113 122.501 120.400 -0.019 0.000 2.392 595 D HA 0.486 5.126 4.640 -0.000 0.000 0.228 595 D C -0.382 175.881 176.300 -0.062 0.000 1.074 595 D CA -0.246 53.770 54.000 0.026 0.000 0.838 595 D CB 0.218 41.011 40.800 -0.012 0.000 1.067 595 D HN 0.343 nan 8.370 nan 0.000 0.511 596 F N 2.249 122.176 119.950 -0.038 0.000 2.645 596 F HA 0.290 4.817 4.527 -0.000 0.000 0.300 596 F C 2.093 177.854 175.800 -0.065 0.000 1.115 596 F CA -0.269 57.703 58.000 -0.048 0.000 1.355 596 F CB 0.086 39.060 39.000 -0.043 0.000 1.026 596 F HN 0.337 nan 8.300 nan 0.000 0.536 597 R N 0.304 120.836 120.500 0.052 0.000 2.105 597 R HA -0.103 4.237 4.340 -0.000 0.000 0.239 597 R C 0.536 176.794 176.300 -0.070 0.000 1.135 597 R CA 1.183 57.278 56.100 -0.009 0.000 0.967 597 R CB -0.164 30.114 30.300 -0.038 0.000 0.861 597 R HN 0.194 nan 8.270 nan 0.000 0.442 598 N N 0.177 118.778 118.700 -0.165 0.000 2.453 598 N HA 0.118 4.858 4.740 -0.000 0.000 0.270 598 N C -1.092 174.319 175.510 -0.165 0.000 1.195 598 N CA 0.089 52.976 53.050 -0.271 0.000 0.902 598 N CB 1.375 39.393 38.487 -0.781 0.000 1.186 598 N HN -0.109 nan 8.380 nan 0.000 0.510 599 V N 0.895 120.776 119.914 -0.056 0.000 2.555 599 V HA 0.357 4.477 4.120 -0.000 0.000 0.302 599 V C 0.120 176.242 176.094 0.046 0.000 1.038 599 V CA -0.807 61.493 62.300 0.000 0.000 0.887 599 V CB 2.691 34.532 31.823 0.030 0.000 0.991 599 V HN -0.152 nan 8.190 nan 0.000 0.434 600 V N 6.037 125.987 119.914 0.060 0.000 2.334 600 V HA 0.300 4.420 4.120 -0.000 0.000 0.267 600 V C -0.119 176.024 176.094 0.081 0.000 1.040 600 V CA -0.387 61.972 62.300 0.098 0.000 0.866 600 V CB 1.195 33.101 31.823 0.138 0.000 1.019 600 V HN 0.644 nan 8.190 nan 0.000 0.468 601 L N 7.737 128.987 121.223 0.045 0.000 2.290 601 L HA 0.589 4.929 4.340 -0.000 0.000 0.284 601 L C -0.351 176.517 176.870 -0.004 0.000 1.078 601 L CA 0.560 55.409 54.840 0.014 0.000 0.815 601 L CB 1.258 43.299 42.059 -0.030 0.000 1.162 601 L HN 0.394 nan 8.230 nan 0.000 0.435 602 V N 6.873 126.750 119.914 -0.062 0.000 2.525 602 V HA 0.485 4.605 4.120 -0.000 0.000 0.299 602 V C -0.198 175.778 176.094 -0.196 0.000 1.034 602 V CA -0.451 61.715 62.300 -0.224 0.000 0.863 602 V CB 1.632 33.197 31.823 -0.430 0.000 0.999 602 V HN 0.811 nan 8.190 nan 0.000 0.423 603 M N 4.450 123.943 119.600 -0.178 0.000 2.181 603 M HA 0.522 5.002 4.480 -0.000 0.000 0.323 603 M C -0.088 176.172 176.300 -0.066 0.000 1.004 603 M CA -0.373 54.879 55.300 -0.081 0.000 0.941 603 M CB 2.328 34.928 32.600 -0.001 0.000 1.579 603 M HN 0.753 nan 8.290 nan 0.000 0.427 604 T N -0.986 113.552 114.554 -0.027 0.000 2.902 604 T HA 0.721 5.071 4.350 -0.000 0.000 0.283 604 T C -0.298 174.439 174.700 0.062 0.000 1.009 604 T CA -0.710 61.403 62.100 0.021 0.000 1.051 604 T CB 2.018 70.886 68.868 -0.000 0.000 0.999 604 T HN 0.641 nan 8.240 nan 0.000 0.474 605 T N 0.582 115.182 114.554 0.077 0.000 2.900 605 T HA 0.442 4.792 4.350 -0.000 0.000 0.303 605 T C -0.030 174.735 174.700 0.108 0.000 1.142 605 T CA -0.784 61.396 62.100 0.133 0.000 1.007 605 T CB 1.706 70.729 68.868 0.258 0.000 1.156 605 T HN 0.822 nan 8.240 nan 0.000 0.490 606 N N 1.336 120.105 118.700 0.115 0.000 2.171 606 N HA 0.328 5.068 4.740 -0.000 0.000 0.212 606 N C 1.624 177.201 175.510 0.112 0.000 1.184 606 N CA 0.295 53.399 53.050 0.091 0.000 0.888 606 N CB 0.157 38.681 38.487 0.063 0.000 1.038 606 N HN 0.652 nan 8.380 nan 0.000 0.517 607 A N 0.791 123.705 122.820 0.156 0.000 2.021 607 A HA -0.034 4.286 4.320 -0.000 0.000 0.206 607 A C 1.195 178.865 177.584 0.143 0.000 1.210 607 A CA 1.617 53.743 52.037 0.148 0.000 0.733 607 A CB -1.304 17.830 19.000 0.224 0.000 0.839 607 A HN 0.280 nan 8.150 nan 0.000 0.495 608 G N -0.584 108.336 108.800 0.201 0.000 2.475 608 G HA2 0.484 4.444 3.960 -0.000 0.000 0.322 608 G HA3 0.484 4.444 3.960 -0.000 0.000 0.322 608 G C -0.409 174.615 174.900 0.206 0.000 1.044 608 G CA -0.323 44.892 45.100 0.192 0.000 1.047 608 G HN 0.487 nan 8.290 nan 0.000 0.436 609 V N 3.854 123.862 119.914 0.156 0.000 2.450 609 V HA 0.096 4.216 4.120 -0.000 0.000 0.281 609 V C 1.262 177.444 176.094 0.147 0.000 1.019 609 V CA -0.195 62.190 62.300 0.142 0.000 1.062 609 V CB 0.091 31.991 31.823 0.128 0.000 0.979 609 V HN 0.787 nan 8.190 nan 0.000 0.477 625 S N 0.106 115.845 115.700 0.065 0.000 2.571 625 S HA 0.640 5.110 4.470 -0.000 0.000 0.284 625 S C -0.319 174.325 174.600 0.072 0.000 1.128 625 S CA -0.332 57.907 58.200 0.065 0.000 0.970 625 S CB 1.681 64.925 63.200 0.073 0.000 1.039 625 S HN 0.415 nan 8.310 nan 0.000 0.485 626 T N 2.875 117.463 114.554 0.057 0.000 2.761 626 T HA 0.354 4.704 4.350 -0.000 0.000 0.296 626 T C -0.705 174.026 174.700 0.052 0.000 0.934 626 T CA -0.184 61.946 62.100 0.051 0.000 1.091 626 T CB 0.343 69.232 68.868 0.035 0.000 0.896 626 T HN 0.432 nan 8.240 nan 0.000 0.515 627 D N 1.210 121.640 120.400 0.050 0.000 2.629 627 D HA 0.636 5.276 4.640 -0.000 0.000 0.250 627 D C -0.006 176.283 176.300 -0.019 0.000 1.126 627 D CA -0.697 53.325 54.000 0.037 0.000 0.852 627 D CB 1.637 42.483 40.800 0.077 0.000 1.335 627 D HN 0.501 nan 8.370 nan 0.000 0.518 628 A N 3.534 126.330 122.820 -0.041 0.000 1.857 628 A HA 0.261 4.581 4.320 -0.000 0.000 0.198 628 A C 0.713 178.229 177.584 -0.113 0.000 1.775 628 A CA 0.146 52.130 52.037 -0.089 0.000 1.281 628 A CB 0.176 19.145 19.000 -0.051 0.000 1.355 628 A HN 0.539 nan 8.150 nan 0.000 0.417 629 M N -1.525 118.050 119.600 -0.042 0.000 2.374 629 M HA 0.213 4.693 4.480 -0.000 0.000 0.293 629 M C 0.338 176.682 176.300 0.073 0.000 2.198 629 M CA 0.480 55.778 55.300 -0.003 0.000 1.450 629 M CB -0.244 32.360 32.600 0.007 0.000 2.133 629 M HN 0.222 nan 8.290 nan 0.000 0.770 630 E N 0.947 121.190 120.200 0.072 0.000 2.315 630 E HA -0.337 4.013 4.350 -0.000 0.000 0.215 630 E C 1.329 178.002 176.600 0.122 0.000 1.069 630 E CA 2.145 58.600 56.400 0.092 0.000 0.859 630 E CB -0.361 29.377 29.700 0.063 0.000 0.743 630 E HN 0.396 nan 8.360 nan 0.000 0.469 631 E N 0.779 121.056 120.200 0.128 0.000 2.049 631 E HA -0.189 4.161 4.350 -0.000 0.000 0.198 631 E C 1.877 178.601 176.600 0.207 0.000 1.007 631 E CA 1.135 57.623 56.400 0.146 0.000 0.809 631 E CB -0.079 29.703 29.700 0.137 0.000 0.749 631 E HN 0.204 nan 8.360 nan 0.000 0.450 632 I N 0.657 121.410 120.570 0.304 0.000 2.353 632 I HA -0.197 3.973 4.170 -0.000 0.000 0.248 632 I C 1.958 178.302 176.117 0.377 0.000 1.119 632 I CA 1.246 62.782 61.300 0.393 0.000 1.417 632 I CB -0.739 37.526 38.000 0.440 0.000 1.078 632 I HN 0.170 nan 8.210 nan 0.000 0.421 633 K N 0.722 121.292 120.400 0.285 0.000 2.147 633 K HA -0.175 4.145 4.320 -0.000 0.000 0.205 633 K C 2.046 178.745 176.600 0.165 0.000 1.049 633 K CA 1.145 57.567 56.287 0.225 0.000 0.936 633 K CB -0.046 32.559 32.500 0.175 0.000 0.722 633 K HN 0.294 nan 8.250 nan 0.000 0.446 634 K N 0.788 121.263 120.400 0.126 0.000 2.031 634 K HA -0.030 4.290 4.320 -0.000 0.000 0.205 634 K C 2.083 178.685 176.600 0.004 0.000 1.049 634 K CA 1.096 57.417 56.287 0.058 0.000 0.939 634 K CB -0.040 32.485 32.500 0.042 0.000 0.717 634 K HN 0.065 nan 8.250 nan 0.000 0.438 635 I N 0.033 120.598 120.570 -0.008 0.000 2.252 635 I HA -0.167 4.003 4.170 -0.000 0.000 0.245 635 I C 0.356 176.209 176.117 -0.439 0.000 1.102 635 I CA 0.829 61.983 61.300 -0.243 0.000 1.385 635 I CB 0.049 37.860 38.000 -0.315 0.000 1.064 635 I HN -0.065 nan 8.210 nan 0.000 0.414 636 F N 0.774 120.714 119.950 -0.017 0.000 2.443 636 F HA 0.257 4.784 4.527 -0.000 0.000 0.335 636 F C 1.006 176.825 175.800 0.031 0.000 1.104 636 F CA -1.195 56.785 58.000 -0.034 0.000 1.013 636 F CB 0.985 40.060 39.000 0.126 0.000 1.136 636 F HN -0.143 nan 8.300 nan 0.000 0.470 637 T N -0.053 114.593 114.554 0.153 0.000 2.856 637 T HA 0.144 4.494 4.350 -0.000 0.000 0.306 637 T C -1.994 172.822 174.700 0.193 0.000 1.062 637 T CA -1.411 60.761 62.100 0.120 0.000 1.083 637 T CB 1.064 69.959 68.868 0.045 0.000 0.984 637 T HN 0.314 nan 8.240 nan 0.000 0.542 638 P HA -0.046 nan 4.420 nan 0.000 0.218 638 P C 1.182 178.541 177.300 0.098 0.000 1.148 638 P CA 0.953 64.117 63.100 0.107 0.000 0.822 638 P CB 0.055 31.797 31.700 0.070 0.000 0.784 639 E N -1.606 118.657 120.200 0.105 0.000 2.106 639 E HA -0.139 4.211 4.350 -0.000 0.000 0.192 639 E C 1.674 178.348 176.600 0.123 0.000 0.984 639 E CA 0.884 57.339 56.400 0.092 0.000 0.806 639 E CB -0.946 28.802 29.700 0.081 0.000 0.750 639 E HN 0.272 nan 8.360 nan 0.000 0.458 640 F N 1.041 121.032 119.950 0.068 0.000 2.187 640 F HA 0.006 4.533 4.527 -0.000 0.000 0.295 640 F C 1.964 177.798 175.800 0.055 0.000 1.091 640 F CA 1.165 59.227 58.000 0.104 0.000 1.308 640 F CB 0.146 39.279 39.000 0.222 0.000 1.030 640 F HN -0.200 nan 8.300 nan 0.000 0.487 641 R N 0.218 120.754 120.500 0.060 0.000 2.092 641 R HA -0.096 4.244 4.340 -0.000 0.000 0.231 641 R C 1.523 177.745 176.300 -0.129 0.000 1.119 641 R CA 1.271 57.328 56.100 -0.071 0.000 0.970 641 R CB -0.452 29.910 30.300 0.103 0.000 0.864 641 R HN 0.299 nan 8.270 nan 0.000 0.440 642 N N 0.567 119.227 118.700 -0.067 0.000 2.515 642 N HA -0.051 4.689 4.740 -0.000 0.000 0.185 642 N C 1.022 176.470 175.510 -0.104 0.000 1.109 642 N CA 0.684 53.698 53.050 -0.060 0.000 0.903 642 N CB 0.161 38.639 38.487 -0.015 0.000 0.969 642 N HN 0.223 nan 8.380 nan 0.000 0.450 643 R N -0.141 120.251 120.500 -0.180 0.000 2.312 643 R HA 0.252 4.592 4.340 -0.000 0.000 0.205 643 R C 0.223 176.364 176.300 -0.266 0.000 0.904 643 R CA -0.107 55.875 56.100 -0.196 0.000 1.052 643 R CB 0.395 30.581 30.300 -0.189 0.000 1.014 643 R HN 0.077 nan 8.270 nan 0.000 0.503 644 L N 0.751 121.780 121.223 -0.325 0.000 2.397 644 L HA 0.048 4.388 4.340 -0.000 0.000 0.271 644 L C 0.622 177.352 176.870 -0.232 0.000 1.148 644 L CA 0.116 54.756 54.840 -0.334 0.000 0.825 644 L CB 0.922 42.776 42.059 -0.342 0.000 1.117 644 L HN -0.017 nan 8.230 nan 0.000 0.456 645 D N 0.778 121.002 120.400 -0.294 0.000 2.277 645 D HA 0.019 4.659 4.640 -0.000 0.000 0.208 645 D C -0.257 176.007 176.300 -0.060 0.000 0.962 645 D CA 1.067 54.937 54.000 -0.216 0.000 0.865 645 D CB 0.266 40.835 40.800 -0.384 0.000 0.939 645 D HN 0.540 nan 8.370 nan 0.000 0.510 646 N N -1.167 117.523 118.700 -0.016 0.000 2.928 646 N HA 0.212 4.952 4.740 -0.000 0.000 0.247 646 N C -1.755 173.806 175.510 0.085 0.000 1.141 646 N CA -0.469 52.654 53.050 0.123 0.000 0.977 646 N CB 1.839 40.523 38.487 0.328 0.000 1.663 646 N HN -0.203 nan 8.380 nan 0.000 0.509 647 I N 2.919 123.466 120.570 -0.038 0.000 2.306 647 I HA 0.356 4.526 4.170 -0.000 0.000 0.288 647 I C -0.355 175.531 176.117 -0.385 0.000 1.036 647 I CA -0.379 60.760 61.300 -0.270 0.000 1.221 647 I CB 0.523 38.248 38.000 -0.459 0.000 1.385 647 I HN 0.393 nan 8.210 nan 0.000 0.472 648 I N 6.033 126.504 120.570 -0.166 0.000 2.301 648 I HA 0.113 4.283 4.170 -0.000 0.000 0.292 648 I C -0.535 175.482 176.117 -0.167 0.000 1.046 648 I CA -0.340 60.880 61.300 -0.134 0.000 1.282 648 I CB 0.327 38.297 38.000 -0.050 0.000 1.409 648 I HN 0.462 nan 8.210 nan 0.000 0.484 649 W N 6.594 127.885 121.300 -0.016 0.000 2.261 649 W HA 0.390 5.050 4.660 -0.000 0.000 0.323 649 W C -0.486 175.963 176.519 -0.117 0.000 1.243 649 W CA -0.266 57.093 57.345 0.024 0.000 1.210 649 W CB 0.336 29.798 29.460 0.003 0.000 1.149 649 W HN 0.191 nan 8.180 nan 0.000 0.562 650 F N 2.138 122.157 119.950 0.115 0.000 2.493 650 F HA 0.193 4.720 4.527 -0.000 0.000 0.329 650 F C 0.365 176.182 175.800 0.028 0.000 1.126 650 F CA -0.982 57.023 58.000 0.009 0.000 0.937 650 F CB 1.121 40.086 39.000 -0.059 0.000 1.146 650 F HN 0.192 nan 8.300 nan 0.000 0.442 651 D N 1.100 121.576 120.400 0.126 0.000 2.423 651 D HA 0.176 4.816 4.640 -0.000 0.000 0.255 651 D C -0.278 176.079 176.300 0.095 0.000 1.174 651 D CA -0.139 53.914 54.000 0.089 0.000 1.008 651 D CB 0.600 41.444 40.800 0.074 0.000 1.101 651 D HN 0.495 nan 8.370 nan 0.000 0.516 652 H N -0.668 118.484 119.070 0.136 0.000 2.679 652 H HA 0.290 4.846 4.556 -0.000 0.000 0.369 652 H C -0.246 175.156 175.328 0.123 0.000 1.178 652 H CA -0.311 55.830 56.048 0.154 0.000 1.419 652 H CB 0.584 30.431 29.762 0.142 0.000 1.458 652 H HN 0.135 nan 8.280 nan 0.000 0.605 653 L N 1.888 123.278 121.223 0.278 0.000 2.305 653 L HA 0.179 4.519 4.340 -0.000 0.000 0.281 653 L C 0.395 177.257 176.870 -0.014 0.000 1.085 653 L CA -0.446 54.452 54.840 0.097 0.000 0.813 653 L CB 1.043 43.121 42.059 0.032 0.000 1.157 653 L HN 0.618 nan 8.230 nan 0.000 0.436 654 S N 0.948 116.647 115.700 -0.001 0.000 2.617 654 S HA 0.067 4.537 4.470 -0.000 0.000 0.259 654 S C 1.284 175.839 174.600 -0.074 0.000 1.301 654 S CA -0.572 57.612 58.200 -0.025 0.000 0.984 654 S CB 1.230 64.429 63.200 -0.001 0.000 0.954 654 S HN 0.675 nan 8.310 nan 0.000 0.572 655 T N 1.408 115.931 114.554 -0.051 0.000 2.821 655 T HA -0.090 4.260 4.350 -0.000 0.000 0.267 655 T C 1.028 175.750 174.700 0.037 0.000 1.046 655 T CA 1.433 63.519 62.100 -0.022 0.000 1.139 655 T CB -0.462 68.400 68.868 -0.011 0.000 0.871 655 T HN 0.507 nan 8.240 nan 0.000 0.454 656 D N 0.583 120.977 120.400 -0.009 0.000 2.144 656 D HA -0.041 4.599 4.640 -0.000 0.000 0.200 656 D C 2.152 178.465 176.300 0.022 0.000 0.978 656 D CA 0.552 54.542 54.000 -0.016 0.000 0.833 656 D CB -0.335 40.437 40.800 -0.047 0.000 0.961 656 D HN 0.194 nan 8.370 nan 0.000 0.470 657 V N 0.823 120.749 119.914 0.021 0.000 2.295 657 V HA -0.212 3.908 4.120 -0.000 0.000 0.246 657 V C 2.364 178.505 176.094 0.078 0.000 1.049 657 V CA 1.166 63.500 62.300 0.057 0.000 1.024 657 V CB -0.459 31.416 31.823 0.087 0.000 0.648 657 V HN 0.225 nan 8.190 nan 0.000 0.447 658 I N -0.682 119.898 120.570 0.016 0.000 2.264 658 I HA -0.295 3.875 4.170 -0.000 0.000 0.248 658 I C 2.534 178.667 176.117 0.027 0.000 1.111 658 I CA 1.656 62.947 61.300 -0.015 0.000 1.382 658 I CB -0.582 37.309 38.000 -0.183 0.000 1.060 658 I HN 0.414 nan 8.210 nan 0.000 0.418 659 H N -0.075 118.983 119.070 -0.020 0.000 2.423 659 H HA -0.143 4.413 4.556 -0.000 0.000 0.297 659 H C 2.191 177.502 175.328 -0.028 0.000 1.075 659 H CA 1.315 57.356 56.048 -0.012 0.000 1.342 659 H CB 0.177 29.920 29.762 -0.033 0.000 1.395 659 H HN 0.470 nan 8.280 nan 0.000 0.530 660 Q N 0.351 120.161 119.800 0.016 0.000 2.123 660 Q HA -0.085 4.255 4.340 -0.000 0.000 0.199 660 Q C 2.447 178.419 176.000 -0.047 0.000 0.966 660 Q CA 0.827 56.500 55.803 -0.217 0.000 0.845 660 Q CB 0.341 28.735 28.738 -0.573 0.000 0.907 660 Q HN 0.163 nan 8.270 nan 0.000 0.439 661 V N -0.206 119.831 119.914 0.204 0.000 2.343 661 V HA -0.254 3.866 4.120 -0.000 0.000 0.247 661 V C 2.194 178.532 176.094 0.407 0.000 1.051 661 V CA 1.458 63.999 62.300 0.403 0.000 1.036 661 V CB -0.454 31.599 31.823 0.384 0.000 0.654 661 V HN 0.229 nan 8.190 nan 0.000 0.451 662 V N 0.414 120.471 119.914 0.238 0.000 2.295 662 V HA -0.305 3.815 4.120 -0.000 0.000 0.246 662 V C 2.340 178.557 176.094 0.206 0.000 1.049 662 V CA 2.489 64.906 62.300 0.196 0.000 1.024 662 V CB -0.679 31.151 31.823 0.010 0.000 0.648 662 V HN 0.639 nan 8.190 nan 0.000 0.447 663 D N -0.097 120.377 120.400 0.124 0.000 2.117 663 D HA -0.216 4.424 4.640 -0.000 0.000 0.197 663 D C 2.231 178.597 176.300 0.111 0.000 0.987 663 D CA 1.461 55.513 54.000 0.087 0.000 0.829 663 D CB -0.175 40.634 40.800 0.016 0.000 0.961 663 D HN 0.355 nan 8.370 nan 0.000 0.460 664 K N -0.931 119.553 120.400 0.141 0.000 2.063 664 K HA -0.173 4.147 4.320 -0.000 0.000 0.208 664 K C 2.075 178.700 176.600 0.041 0.000 1.048 664 K CA 1.142 57.498 56.287 0.115 0.000 0.928 664 K CB -0.342 32.279 32.500 0.203 0.000 0.713 664 K HN 0.185 nan 8.250 nan 0.000 0.442 665 F N 0.981 120.992 119.950 0.101 0.000 2.186 665 F HA -0.122 4.405 4.527 -0.000 0.000 0.299 665 F C 2.098 177.935 175.800 0.063 0.000 1.090 665 F CA 0.988 59.035 58.000 0.078 0.000 1.307 665 F CB -0.055 38.991 39.000 0.076 0.000 1.019 665 F HN 0.001 nan 8.300 nan 0.000 0.489 666 I N -0.921 119.793 120.570 0.241 0.000 2.202 666 I HA -0.243 3.927 4.170 -0.000 0.000 0.242 666 I C 2.204 178.381 176.117 0.100 0.000 1.091 666 I CA 0.816 62.205 61.300 0.148 0.000 1.368 666 I CB -0.525 37.541 38.000 0.110 0.000 1.058 666 I HN -0.099 nan 8.210 nan 0.000 0.410 667 V N 0.750 120.713 119.914 0.082 0.000 2.343 667 V HA -0.277 3.843 4.120 -0.000 0.000 0.247 667 V C 2.329 178.451 176.094 0.047 0.000 1.051 667 V CA 1.844 64.176 62.300 0.053 0.000 1.036 667 V CB -0.713 31.136 31.823 0.043 0.000 0.654 667 V HN 0.432 nan 8.190 nan 0.000 0.451 668 E N -0.249 119.979 120.200 0.045 0.000 2.085 668 E HA -0.255 4.095 4.350 -0.000 0.000 0.194 668 E C 2.139 178.771 176.600 0.053 0.000 0.994 668 E CA 1.429 57.849 56.400 0.032 0.000 0.801 668 E CB -0.235 29.470 29.700 0.008 0.000 0.743 668 E HN 0.397 nan 8.360 nan 0.000 0.453 669 L N 1.355 122.627 121.223 0.082 0.000 2.056 669 L HA -0.200 4.140 4.340 -0.000 0.000 0.207 669 L C 2.052 178.957 176.870 0.058 0.000 1.078 669 L CA 1.757 56.645 54.840 0.079 0.000 0.749 669 L CB -0.395 41.725 42.059 0.101 0.000 0.901 669 L HN 0.075 nan 8.230 nan 0.000 0.433 670 Q N -1.384 118.448 119.800 0.054 0.000 2.124 670 Q HA -0.176 4.164 4.340 -0.000 0.000 0.202 670 Q C 2.182 178.202 176.000 0.034 0.000 0.977 670 Q CA 1.799 57.627 55.803 0.041 0.000 0.850 670 Q CB -0.201 28.559 28.738 0.037 0.000 0.901 670 Q HN 0.444 nan 8.270 nan 0.000 0.429 671 V N 1.221 121.154 119.914 0.032 0.000 2.287 671 V HA -0.325 3.795 4.120 -0.000 0.000 0.248 671 V C 2.179 178.288 176.094 0.025 0.000 1.053 671 V CA 2.038 64.353 62.300 0.025 0.000 1.027 671 V CB -0.605 31.231 31.823 0.021 0.000 0.646 671 V HN 0.424 nan 8.190 nan 0.000 0.447 672 Q N -0.496 119.322 119.800 0.029 0.000 2.050 672 Q HA -0.170 4.170 4.340 -0.000 0.000 0.202 672 Q C 2.315 178.332 176.000 0.027 0.000 0.980 672 Q CA 1.593 57.412 55.803 0.028 0.000 0.840 672 Q CB -0.287 28.471 28.738 0.032 0.000 0.898 672 Q HN 0.536 nan 8.270 nan 0.000 0.424 673 L N 0.803 122.045 121.223 0.032 0.000 2.093 673 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 673 L C 1.733 178.620 176.870 0.029 0.000 1.085 673 L CA 0.792 55.652 54.840 0.032 0.000 0.755 673 L CB -0.347 41.735 42.059 0.039 0.000 0.904 673 L HN 0.157 nan 8.230 nan 0.000 0.435 674 D N -0.241 120.175 120.400 0.027 0.000 2.218 674 D HA -0.191 4.449 4.640 -0.000 0.000 0.204 674 D C 2.215 178.529 176.300 0.022 0.000 0.976 674 D CA 0.988 55.003 54.000 0.025 0.000 0.853 674 D CB -0.043 40.770 40.800 0.023 0.000 0.939 674 D HN 0.381 nan 8.370 nan 0.000 0.481 675 Q N -0.146 119.666 119.800 0.020 0.000 2.297 675 Q HA 0.018 4.358 4.340 -0.000 0.000 0.204 675 Q C 1.172 177.181 176.000 0.016 0.000 0.962 675 Q CA 0.754 56.567 55.803 0.017 0.000 0.879 675 Q CB 0.272 29.019 28.738 0.015 0.000 0.947 675 Q HN 0.164 nan 8.270 nan 0.000 0.462 676 K N -0.891 119.519 120.400 0.018 0.000 2.397 676 K HA 0.176 4.496 4.320 -0.000 0.000 0.202 676 K C 0.437 177.048 176.600 0.019 0.000 1.022 676 K CA 0.401 56.698 56.287 0.016 0.000 1.141 676 K CB 0.928 33.437 32.500 0.014 0.000 0.857 676 K HN 0.231 nan 8.250 nan 0.000 0.514 677 G N 1.359 110.172 108.800 0.023 0.000 2.179 677 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.257 677 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.257 677 G C -0.055 174.865 174.900 0.033 0.000 1.010 677 G CA 0.060 45.177 45.100 0.027 0.000 0.736 677 G HN 0.156 nan 8.290 nan 0.000 0.513 678 V N 0.281 120.215 119.914 0.035 0.000 2.417 678 V HA 0.714 4.834 4.120 -0.000 0.000 0.291 678 V C 0.429 176.548 176.094 0.040 0.000 1.024 678 V CA -0.091 62.234 62.300 0.042 0.000 0.861 678 V CB 1.886 33.737 31.823 0.047 0.000 0.985 678 V HN 0.403 nan 8.190 nan 0.000 0.436 679 S N 4.795 120.520 115.700 0.043 0.000 2.433 679 S HA 0.639 5.109 4.470 -0.000 0.000 0.310 679 S C -0.838 173.774 174.600 0.020 0.000 1.097 679 S CA -0.481 57.740 58.200 0.035 0.000 1.103 679 S CB 0.738 63.964 63.200 0.044 0.000 0.992 679 S HN 0.574 nan 8.310 nan 0.000 0.469 680 L N 5.437 126.669 121.223 0.016 0.000 2.272 680 L HA 0.619 4.959 4.340 -0.000 0.000 0.289 680 L C -0.267 176.601 176.870 -0.003 0.000 1.032 680 L CA 0.059 54.901 54.840 0.003 0.000 0.810 680 L CB 1.267 43.337 42.059 0.019 0.000 1.205 680 L HN 0.741 nan 8.230 nan 0.000 0.422 681 E N 4.611 124.797 120.200 -0.023 0.000 2.199 681 E HA 0.570 4.920 4.350 -0.000 0.000 0.265 681 E C -1.884 174.691 176.600 -0.041 0.000 0.882 681 E CA -0.774 55.611 56.400 -0.024 0.000 0.759 681 E CB 1.831 31.514 29.700 -0.028 0.000 1.148 681 E HN 0.486 nan 8.360 nan 0.000 0.412 682 V N 3.932 123.831 119.914 -0.026 0.000 2.448 682 V HA 0.245 4.365 4.120 -0.000 0.000 0.295 682 V C 0.340 176.417 176.094 -0.028 0.000 1.025 682 V CA -0.727 61.551 62.300 -0.036 0.000 0.859 682 V CB 1.303 33.122 31.823 -0.007 0.000 0.988 682 V HN 0.822 nan 8.190 nan 0.000 0.431 683 S N 3.386 119.055 115.700 -0.051 0.000 2.608 683 S HA 0.134 4.604 4.470 -0.000 0.000 0.261 683 S C 0.970 175.570 174.600 0.000 0.000 1.314 683 S CA 0.194 58.374 58.200 -0.033 0.000 0.992 683 S CB 1.239 64.406 63.200 -0.055 0.000 0.935 683 S HN 0.690 nan 8.310 nan 0.000 0.564 684 Q N 0.711 120.520 119.800 0.015 0.000 2.084 684 Q HA -0.125 4.215 4.340 -0.000 0.000 0.202 684 Q C 1.954 177.999 176.000 0.075 0.000 0.978 684 Q CA 2.309 58.143 55.803 0.052 0.000 0.844 684 Q CB -0.378 28.380 28.738 0.032 0.000 0.898 684 Q HN 0.903 nan 8.270 nan 0.000 0.426 685 E N -0.611 119.615 120.200 0.043 0.000 2.110 685 E HA -0.158 4.192 4.350 -0.000 0.000 0.193 685 E C 1.813 178.460 176.600 0.079 0.000 0.988 685 E CA 0.904 57.339 56.400 0.058 0.000 0.804 685 E CB -0.191 29.522 29.700 0.021 0.000 0.745 685 E HN 0.468 nan 8.360 nan 0.000 0.458 686 A N 1.313 124.142 122.820 0.015 0.000 2.014 686 A HA -0.100 4.220 4.320 -0.000 0.000 0.218 686 A C 2.027 179.667 177.584 0.093 0.000 1.163 686 A CA 0.800 52.833 52.037 -0.006 0.000 0.652 686 A CB -0.186 18.737 19.000 -0.127 0.000 0.808 686 A HN 0.044 nan 8.150 nan 0.000 0.449 687 R N -0.208 120.341 120.500 0.082 0.000 2.090 687 R HA -0.058 4.282 4.340 -0.000 0.000 0.228 687 R C 1.837 178.151 176.300 0.023 0.000 1.110 687 R CA 1.549 57.689 56.100 0.066 0.000 0.973 687 R CB -0.372 29.991 30.300 0.104 0.000 0.869 687 R HN 0.680 nan 8.270 nan 0.000 0.440 688 N N -0.334 118.454 118.700 0.146 0.000 2.166 688 N HA -0.211 4.529 4.740 -0.000 0.000 0.186 688 N C 1.358 176.941 175.510 0.122 0.000 1.019 688 N CA 1.085 54.226 53.050 0.152 0.000 0.856 688 N CB -0.137 38.465 38.487 0.192 0.000 0.993 688 N HN 0.292 nan 8.380 nan 0.000 0.426 689 W N 1.020 122.306 121.300 -0.023 0.000 2.388 689 W HA -0.020 4.640 4.660 0.000 0.000 0.294 689 W C 1.451 177.948 176.519 -0.038 0.000 1.212 689 W CA 0.551 57.882 57.345 -0.024 0.000 1.271 689 W CB -0.014 29.430 29.460 -0.026 0.000 1.126 689 W HN -0.006 nan 8.180 nan 0.000 0.535 690 L N 0.674 122.083 121.223 0.310 0.000 2.109 690 L HA -0.024 4.316 4.340 -0.000 0.000 0.207 690 L C 2.567 179.416 176.870 -0.034 0.000 1.086 690 L CA 2.044 56.985 54.840 0.167 0.000 0.760 690 L CB -1.761 40.376 42.059 0.131 0.000 0.910 690 L HN 0.103 nan 8.230 nan 0.000 0.437 691 A N -0.859 121.899 122.820 -0.104 0.000 1.898 691 A HA -0.232 4.088 4.320 -0.000 0.000 0.216 691 A C 2.334 179.875 177.584 -0.071 0.000 1.181 691 A CA 1.616 53.561 52.037 -0.153 0.000 0.620 691 A CB -0.505 18.284 19.000 -0.351 0.000 0.819 691 A HN 0.489 nan 8.150 nan 0.000 0.442 692 E N -0.500 119.642 120.200 -0.097 0.000 2.051 692 E HA -0.256 4.094 4.350 -0.000 0.000 0.192 692 E C 1.887 178.383 176.600 -0.172 0.000 0.991 692 E CA 1.623 57.953 56.400 -0.115 0.000 0.799 692 E CB -0.083 29.510 29.700 -0.179 0.000 0.748 692 E HN 0.372 nan 8.360 nan 0.000 0.449 693 K N -0.544 119.671 120.400 -0.309 0.000 2.296 693 K HA 0.043 4.363 4.320 -0.000 0.000 0.200 693 K C 1.451 177.948 176.600 -0.171 0.000 1.048 693 K CA 0.991 57.074 56.287 -0.341 0.000 0.966 693 K CB 0.183 32.301 32.500 -0.636 0.000 0.754 693 K HN 0.204 nan 8.250 nan 0.000 0.466 694 G N -1.249 107.491 108.800 -0.099 0.000 3.189 694 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.225 694 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.225 694 G C -0.788 174.145 174.900 0.054 0.000 1.159 694 G CA -0.071 44.999 45.100 -0.050 0.000 0.763 694 G HN 0.242 nan 8.290 nan 0.000 0.549 695 Y N 0.730 120.989 120.300 -0.069 0.000 2.354 695 Y HA 0.545 5.095 4.550 0.000 0.000 0.330 695 Y C -1.730 174.155 175.900 -0.026 0.000 1.011 695 Y CA -1.410 56.675 58.100 -0.026 0.000 1.099 695 Y CB 1.949 40.408 38.460 -0.002 0.000 1.179 695 Y HN -0.052 nan 8.280 nan 0.000 0.442 696 D N 3.685 123.740 120.400 -0.576 0.000 2.198 696 D HA 0.330 4.970 4.640 -0.000 0.000 0.247 696 D C 0.738 176.546 176.300 -0.821 0.000 1.010 696 D CA -0.489 53.228 54.000 -0.473 0.000 0.880 696 D CB 1.985 42.631 40.800 -0.258 0.000 1.209 696 D HN 0.757 nan 8.370 nan 0.000 0.451 697 R N 1.813 122.049 120.500 -0.439 0.000 2.148 697 R HA 0.053 4.393 4.340 -0.000 0.000 0.223 697 R C 1.501 177.717 176.300 -0.140 0.000 1.088 697 R CA 1.331 57.268 56.100 -0.271 0.000 0.985 697 R CB 0.096 30.365 30.300 -0.052 0.000 0.880 697 R HN 0.429 nan 8.270 nan 0.000 0.451 698 A N -0.404 122.337 122.820 -0.131 0.000 2.021 698 A HA 0.051 4.371 4.320 -0.000 0.000 0.216 698 A C 1.788 179.330 177.584 -0.070 0.000 1.163 698 A CA 0.721 52.724 52.037 -0.057 0.000 0.676 698 A CB 0.089 19.063 19.000 -0.044 0.000 0.818 698 A HN 0.261 nan 8.150 nan 0.000 0.453 699 M N -1.287 118.227 119.600 -0.144 0.000 2.308 699 M HA 0.235 4.715 4.480 -0.000 0.000 0.269 699 M C 1.252 177.481 176.300 -0.119 0.000 1.040 699 M CA 0.635 55.870 55.300 -0.109 0.000 1.024 699 M CB 0.349 32.893 32.600 -0.093 0.000 1.465 699 M HN 0.540 nan 8.290 nan 0.000 0.517 700 G N 1.757 110.405 108.800 -0.252 0.000 2.547 700 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.271 700 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.271 700 G C 0.381 175.283 174.900 0.004 0.000 1.209 700 G CA 0.085 45.115 45.100 -0.117 0.000 0.959 700 G HN 0.517 nan 8.290 nan 0.000 0.563 701 A N -0.185 122.773 122.820 0.231 0.000 2.327 701 A HA 0.418 4.738 4.320 -0.000 0.000 0.228 701 A C 2.119 179.779 177.584 0.127 0.000 1.275 701 A CA 1.267 53.448 52.037 0.239 0.000 0.875 701 A CB -0.252 18.927 19.000 0.297 0.000 0.925 701 A HN 0.598 nan 8.150 nan 0.000 0.493 702 R N 0.290 120.829 120.500 0.065 0.000 2.105 702 R HA -0.109 4.231 4.340 -0.000 0.000 0.239 702 R C -0.928 175.381 176.300 0.014 0.000 1.135 702 R CA 1.723 57.849 56.100 0.042 0.000 0.967 702 R CB -0.853 29.457 30.300 0.017 0.000 0.861 702 R HN 0.411 nan 8.270 nan 0.000 0.442 703 P HA 0.002 nan 4.420 nan 0.000 0.249 703 P C 0.681 177.932 177.300 -0.081 0.000 1.229 703 P CA 0.455 63.529 63.100 -0.043 0.000 0.788 703 P CB 0.134 31.800 31.700 -0.056 0.000 1.072 704 M N 0.592 120.132 119.600 -0.099 0.000 2.117 704 M HA -0.066 4.414 4.480 -0.000 0.000 0.262 704 M C 1.916 177.885 176.300 -0.552 0.000 1.065 704 M CA 1.646 56.775 55.300 -0.284 0.000 1.114 704 M CB -1.145 31.305 32.600 -0.249 0.000 1.361 704 M HN -0.059 nan 8.290 nan 0.000 0.408 705 A N -0.300 122.285 122.820 -0.392 0.000 1.933 705 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 705 A C 2.327 179.825 177.584 -0.144 0.000 1.175 705 A CA 1.746 53.619 52.037 -0.273 0.000 0.628 705 A CB -0.601 18.454 19.000 0.092 0.000 0.814 705 A HN 0.553 nan 8.150 nan 0.000 0.444 706 R N -0.923 119.523 120.500 -0.091 0.000 2.093 706 R HA -0.011 4.329 4.340 -0.000 0.000 0.224 706 R C 2.042 178.319 176.300 -0.038 0.000 1.101 706 R CA 1.223 57.299 56.100 -0.039 0.000 0.979 706 R CB -0.372 29.916 30.300 -0.020 0.000 0.877 706 R HN 0.391 nan 8.270 nan 0.000 0.441 707 V N 1.473 121.344 119.914 -0.072 0.000 2.407 707 V HA -0.236 3.884 4.120 -0.000 0.000 0.248 707 V C 2.255 178.350 176.094 0.001 0.000 1.055 707 V CA 1.378 63.664 62.300 -0.023 0.000 1.049 707 V CB -0.299 31.489 31.823 -0.057 0.000 0.662 707 V HN 0.269 nan 8.190 nan 0.000 0.455 708 I N -0.141 120.362 120.570 -0.111 0.000 2.353 708 I HA -0.214 3.956 4.170 -0.000 0.000 0.248 708 I C 2.471 178.597 176.117 0.015 0.000 1.119 708 I CA 1.619 62.878 61.300 -0.068 0.000 1.417 708 I CB -1.040 36.824 38.000 -0.226 0.000 1.078 708 I HN 0.478 nan 8.210 nan 0.000 0.421 709 Q N 0.921 120.723 119.800 0.003 0.000 2.046 709 Q HA -0.215 4.125 4.340 -0.000 0.000 0.200 709 Q C 1.635 177.659 176.000 0.039 0.000 0.975 709 Q CA 1.846 57.669 55.803 0.034 0.000 0.836 709 Q CB 0.130 28.886 28.738 0.030 0.000 0.896 709 Q HN 0.350 nan 8.270 nan 0.000 0.428 710 D N -0.081 120.346 120.400 0.044 0.000 2.183 710 D HA -0.084 4.556 4.640 -0.000 0.000 0.203 710 D C 0.899 177.246 176.300 0.079 0.000 0.969 710 D CA 1.197 55.231 54.000 0.057 0.000 0.842 710 D CB -0.098 40.743 40.800 0.068 0.000 0.957 710 D HN 0.414 nan 8.370 nan 0.000 0.484 711 N N -1.047 117.725 118.700 0.120 0.000 2.322 711 N HA 0.098 4.838 4.740 -0.000 0.000 0.181 711 N C 0.936 176.557 175.510 0.186 0.000 1.088 711 N CA 0.097 53.250 53.050 0.172 0.000 0.885 711 N CB 0.709 39.348 38.487 0.253 0.000 1.013 711 N HN -0.045 nan 8.380 nan 0.000 0.472 712 L N -0.102 121.197 121.223 0.127 0.000 2.766 712 L HA 0.301 4.641 4.340 -0.000 0.000 0.241 712 L C 1.506 178.425 176.870 0.082 0.000 1.080 712 L CA 0.867 55.785 54.840 0.130 0.000 0.909 712 L CB 0.312 42.440 42.059 0.115 0.000 1.277 712 L HN -0.090 nan 8.230 nan 0.000 0.510 713 K N -0.596 119.839 120.400 0.057 0.000 2.172 713 K HA 0.092 4.412 4.320 -0.000 0.000 0.203 713 K C 1.785 178.389 176.600 0.006 0.000 1.040 713 K CA 0.324 56.635 56.287 0.040 0.000 0.974 713 K CB 0.244 32.772 32.500 0.048 0.000 0.857 713 K HN 0.052 nan 8.250 nan 0.000 0.464 714 K N 0.814 121.211 120.400 -0.005 0.000 2.032 714 K HA -0.112 4.208 4.320 -0.000 0.000 0.209 714 K C -0.981 175.574 176.600 -0.074 0.000 1.048 714 K CA 1.288 57.557 56.287 -0.030 0.000 0.927 714 K CB -1.023 31.466 32.500 -0.018 0.000 0.712 714 K HN 0.062 nan 8.250 nan 0.000 0.441 715 P HA -0.046 nan 4.420 nan 0.000 0.239 715 P C 0.744 177.989 177.300 -0.091 0.000 1.184 715 P CA 0.943 63.899 63.100 -0.239 0.000 0.760 715 P CB 0.051 31.358 31.700 -0.654 0.000 0.884 716 L N -2.771 118.441 121.223 -0.018 0.000 2.701 716 L HA 0.303 4.643 4.340 -0.000 0.000 0.238 716 L C 2.167 178.996 176.870 -0.068 0.000 1.106 716 L CA 0.240 55.117 54.840 0.061 0.000 0.898 716 L CB -0.636 41.498 42.059 0.125 0.000 1.188 716 L HN -0.117 nan 8.230 nan 0.000 0.508 717 A N 1.314 124.073 122.820 -0.102 0.000 1.851 717 A HA -0.243 4.077 4.320 -0.000 0.000 0.216 717 A C 2.003 179.397 177.584 -0.316 0.000 1.195 717 A CA 2.172 54.117 52.037 -0.154 0.000 0.622 717 A CB -0.554 18.384 19.000 -0.104 0.000 0.831 717 A HN 0.388 nan 8.150 nan 0.000 0.444 718 N N 0.021 118.516 118.700 -0.342 0.000 2.061 718 N HA -0.144 4.596 4.740 -0.000 0.000 0.193 718 N C 1.616 176.729 175.510 -0.662 0.000 1.030 718 N CA 1.572 54.275 53.050 -0.579 0.000 0.856 718 N CB -0.370 37.991 38.487 -0.210 0.000 1.023 718 N HN 0.488 nan 8.380 nan 0.000 0.424 719 E N 0.319 120.242 120.200 -0.462 0.000 2.204 719 E HA -0.026 4.324 4.350 -0.000 0.000 0.194 719 E C 1.985 178.408 176.600 -0.295 0.000 0.989 719 E CA 0.300 56.437 56.400 -0.438 0.000 0.824 719 E CB -0.093 29.188 29.700 -0.698 0.000 0.756 719 E HN 0.411 nan 8.360 nan 0.000 0.477 720 L N -0.022 121.047 121.223 -0.257 0.000 2.418 720 L HA -0.009 4.331 4.340 -0.000 0.000 0.218 720 L C 2.092 178.835 176.870 -0.212 0.000 1.125 720 L CA 0.294 55.035 54.840 -0.165 0.000 0.835 720 L CB 0.046 42.044 42.059 -0.102 0.000 0.953 720 L HN 0.064 nan 8.230 nan 0.000 0.454 721 L N -1.762 119.216 121.223 -0.409 0.000 2.349 721 L HA 0.091 4.431 4.340 -0.000 0.000 0.200 721 L C 0.397 177.100 176.870 -0.278 0.000 1.064 721 L CA 0.414 55.011 54.840 -0.405 0.000 0.821 721 L CB 0.259 41.957 42.059 -0.602 0.000 1.027 721 L HN 0.168 nan 8.230 nan 0.000 0.476 722 F N -1.177 118.739 119.950 -0.056 0.000 2.556 722 F HA 0.747 5.274 4.527 -0.000 0.000 0.384 722 F C 0.053 175.807 175.800 -0.077 0.000 1.493 722 F CA -0.830 57.136 58.000 -0.056 0.000 1.119 722 F CB -0.483 38.487 39.000 -0.049 0.000 1.280 722 F HN -0.112 nan 8.300 nan 0.000 0.525 723 G N 0.492 109.257 108.800 -0.058 0.000 2.976 723 G HA2 0.336 4.296 3.960 -0.000 0.000 0.276 723 G HA3 0.336 4.296 3.960 -0.000 0.000 0.276 723 G C 0.318 175.168 174.900 -0.083 0.000 1.207 723 G CA -0.095 44.954 45.100 -0.085 0.000 0.803 723 G HN 0.143 nan 8.290 nan 0.000 0.572 724 S N -0.675 114.960 115.700 -0.108 0.000 2.474 724 S HA 0.049 4.519 4.470 -0.000 0.000 0.235 724 S C 1.784 176.377 174.600 -0.012 0.000 0.997 724 S CA 0.772 58.947 58.200 -0.042 0.000 0.949 724 S CB -0.227 62.969 63.200 -0.006 0.000 0.766 724 S HN 0.309 nan 8.310 nan 0.000 0.517 725 L N 1.050 122.255 121.223 -0.030 0.000 2.607 725 L HA 0.234 4.574 4.340 -0.000 0.000 0.228 725 L C 1.881 178.742 176.870 -0.016 0.000 1.123 725 L CA -0.105 54.739 54.840 0.007 0.000 0.890 725 L CB -0.171 41.915 42.059 0.046 0.000 1.103 725 L HN 0.177 nan 8.230 nan 0.000 0.468 726 V N 0.087 119.981 119.914 -0.032 0.000 2.324 726 V HA -0.293 3.827 4.120 -0.000 0.000 0.250 726 V C 1.421 177.510 176.094 -0.008 0.000 1.060 726 V CA 1.910 64.196 62.300 -0.025 0.000 1.042 726 V CB -0.270 31.545 31.823 -0.015 0.000 0.650 726 V HN 0.522 nan 8.190 nan 0.000 0.450 727 D N -0.620 119.778 120.400 -0.003 0.000 2.368 727 D HA 0.404 5.044 4.640 -0.000 0.000 0.218 727 D C 0.866 177.170 176.300 0.006 0.000 1.112 727 D CA 1.086 55.087 54.000 0.002 0.000 0.834 727 D CB 0.949 41.750 40.800 0.001 0.000 0.953 727 D HN 0.516 nan 8.370 nan 0.000 0.505 728 G N -0.279 108.527 108.800 0.009 0.000 2.434 728 G HA2 0.321 4.281 3.960 -0.000 0.000 0.671 728 G HA3 0.321 4.281 3.960 -0.000 0.000 0.671 728 G C 0.001 174.912 174.900 0.018 0.000 1.280 728 G CA -0.380 44.730 45.100 0.017 0.000 0.975 728 G HN 0.612 nan 8.290 nan 0.000 0.510 729 G N -1.581 107.234 108.800 0.024 0.000 2.334 729 G HA2 0.577 4.537 3.960 -0.000 0.000 0.249 729 G HA3 0.577 4.537 3.960 -0.000 0.000 0.249 729 G C -1.156 173.767 174.900 0.039 0.000 1.327 729 G CA 0.431 45.541 45.100 0.017 0.000 0.979 729 G HN 1.191 nan 8.290 nan 0.000 0.471 730 Q N -0.857 118.969 119.800 0.043 0.000 2.315 730 Q HA 0.597 4.937 4.340 -0.000 0.000 0.273 730 Q C -1.260 174.735 176.000 -0.008 0.000 1.053 730 Q CA -0.831 54.992 55.803 0.034 0.000 0.817 730 Q CB 3.157 31.925 28.738 0.049 0.000 1.326 730 Q HN 0.620 nan 8.270 nan 0.000 0.423 731 V N 1.180 121.054 119.914 -0.066 0.000 2.487 731 V HA 0.529 4.649 4.120 -0.000 0.000 0.298 731 V C -0.374 175.609 176.094 -0.184 0.000 1.028 731 V CA -0.645 61.517 62.300 -0.230 0.000 0.860 731 V CB 1.785 33.480 31.823 -0.213 0.000 0.991 731 V HN 0.728 nan 8.190 nan 0.000 0.427 732 T N 4.182 118.592 114.554 -0.239 0.000 2.786 732 T HA 0.543 4.893 4.350 -0.000 0.000 0.283 732 T C -0.378 174.185 174.700 -0.228 0.000 0.992 732 T CA -0.278 61.718 62.100 -0.174 0.000 0.954 732 T CB 1.472 70.263 68.868 -0.128 0.000 0.934 732 T HN 0.413 nan 8.240 nan 0.000 0.440 733 V N 3.433 123.223 119.914 -0.205 0.000 2.370 733 V HA 0.830 4.950 4.120 -0.000 0.000 0.283 733 V C 0.281 176.205 176.094 -0.283 0.000 1.023 733 V CA -0.454 61.662 62.300 -0.307 0.000 0.857 733 V CB 0.953 32.635 31.823 -0.235 0.000 0.985 733 V HN 1.067 nan 8.190 nan 0.000 0.443 734 A N 4.802 127.409 122.820 -0.356 0.000 2.470 734 A HA 1.008 5.328 4.320 -0.000 0.000 0.271 734 A C -1.462 175.929 177.584 -0.322 0.000 1.269 734 A CA -0.687 51.193 52.037 -0.262 0.000 0.828 734 A CB 1.641 20.529 19.000 -0.187 0.000 1.374 734 A HN 0.717 nan 8.150 nan 0.000 0.454 735 L N -0.071 121.018 121.223 -0.223 0.000 2.386 735 L HA 0.635 4.975 4.340 -0.000 0.000 0.271 735 L C -1.557 175.226 176.870 -0.145 0.000 0.993 735 L CA -0.266 54.439 54.840 -0.225 0.000 0.819 735 L CB 1.986 43.960 42.059 -0.142 0.000 1.294 735 L HN 0.592 nan 8.230 nan 0.000 0.414 736 D N 3.446 123.762 120.400 -0.140 0.000 2.412 736 D HA 0.236 4.876 4.640 -0.000 0.000 0.224 736 D C 0.671 176.956 176.300 -0.026 0.000 1.093 736 D CA -0.130 53.826 54.000 -0.073 0.000 0.850 736 D CB 1.281 42.039 40.800 -0.070 0.000 1.046 736 D HN 0.520 nan 8.370 nan 0.000 0.507 737 K N 1.636 122.033 120.400 -0.005 0.000 1.978 737 K HA -0.128 4.192 4.320 -0.000 0.000 0.214 737 K C 0.940 177.563 176.600 0.038 0.000 1.049 737 K CA 0.795 57.097 56.287 0.026 0.000 0.939 737 K CB 0.186 32.699 32.500 0.023 0.000 0.721 737 K HN 0.391 nan 8.250 nan 0.000 0.441 738 E N 0.992 121.208 120.200 0.026 0.000 2.705 738 E HA -0.045 4.305 4.350 -0.000 0.000 0.272 738 E C 0.571 177.190 176.600 0.032 0.000 1.528 738 E CA 0.433 56.851 56.400 0.029 0.000 1.750 738 E CB 0.128 29.840 29.700 0.020 0.000 1.439 738 E HN 0.193 nan 8.360 nan 0.000 0.449 739 K N -0.300 120.126 120.400 0.044 0.000 2.614 739 K HA 0.045 4.365 4.320 -0.000 0.000 0.183 739 K C 0.147 176.800 176.600 0.088 0.000 1.792 739 K CA -0.004 56.313 56.287 0.050 0.000 1.211 739 K CB 0.355 32.871 32.500 0.026 0.000 1.735 739 K HN 0.087 nan 8.250 nan 0.000 0.587 740 N N 1.749 120.516 118.700 0.111 0.000 2.716 740 N HA -0.216 4.524 4.740 -0.000 0.000 0.250 740 N C -1.178 174.518 175.510 0.310 0.000 1.033 740 N CA 1.031 54.228 53.050 0.246 0.000 0.727 740 N CB -0.391 38.265 38.487 0.281 0.000 0.950 740 N HN 0.401 nan 8.380 nan 0.000 0.541 741 E N 0.102 120.313 120.200 0.019 0.000 2.343 741 E HA 0.415 4.765 4.350 -0.000 0.000 0.270 741 E C -0.903 175.439 176.600 -0.429 0.000 0.895 741 E CA -0.833 55.485 56.400 -0.137 0.000 0.767 741 E CB 1.102 30.798 29.700 -0.007 0.000 1.248 741 E HN 0.019 nan 8.360 nan 0.000 0.440 742 L N 1.828 122.658 121.223 -0.655 0.000 2.397 742 L HA 0.271 4.611 4.340 -0.000 0.000 0.271 742 L C 0.337 176.829 176.870 -0.630 0.000 1.148 742 L CA 0.547 54.934 54.840 -0.756 0.000 0.825 742 L CB 1.206 42.715 42.059 -0.918 0.000 1.117 742 L HN 0.529 nan 8.230 nan 0.000 0.456 743 T N 3.058 117.202 114.554 -0.683 0.000 2.867 743 T HA 0.533 4.883 4.350 -0.000 0.000 0.282 743 T C -1.096 173.145 174.700 -0.767 0.000 1.000 743 T CA -0.066 61.742 62.100 -0.486 0.000 1.042 743 T CB 0.414 69.117 68.868 -0.275 0.000 0.973 743 T HN 0.207 nan 8.240 nan 0.000 0.465 744 Y N 0.738 120.976 120.300 -0.103 0.000 2.326 744 Y HA 0.562 5.112 4.550 -0.000 0.000 0.329 744 Y C 0.587 176.373 175.900 -0.189 0.000 0.973 744 Y CA -1.072 56.920 58.100 -0.180 0.000 1.162 744 Y CB 1.763 40.190 38.460 -0.054 0.000 1.147 744 Y HN 0.775 nan 8.280 nan 0.000 0.456 745 G N 2.839 111.497 108.800 -0.236 0.000 2.379 745 G HA2 0.676 4.636 3.960 -0.000 0.000 0.327 745 G HA3 0.676 4.636 3.960 -0.000 0.000 0.327 745 G C -1.558 173.124 174.900 -0.364 0.000 1.145 745 G CA -0.448 44.561 45.100 -0.153 0.000 0.905 745 G HN 0.380 nan 8.290 nan 0.000 0.466 746 F N -0.181 119.788 119.950 0.031 0.000 2.551 746 F HA 0.633 5.160 4.527 -0.000 0.000 0.316 746 F C 0.188 175.987 175.800 -0.002 0.000 1.089 746 F CA -0.714 57.296 58.000 0.016 0.000 0.915 746 F CB 2.924 41.930 39.000 0.010 0.000 1.186 746 F HN 0.401 nan 8.300 nan 0.000 0.456 747 Q N 1.766 121.662 119.800 0.161 0.000 2.320 747 Q HA 0.587 4.927 4.340 -0.000 0.000 0.272 747 Q C -1.516 174.495 176.000 0.018 0.000 1.023 747 Q CA -0.592 55.245 55.803 0.056 0.000 0.855 747 Q CB 2.447 31.182 28.738 -0.005 0.000 1.367 747 Q HN 0.841 nan 8.270 nan 0.000 0.406 748 S N 1.509 117.198 115.700 -0.017 0.000 2.759 748 S HA 1.068 5.538 4.470 -0.000 0.000 0.310 748 S C -0.699 173.850 174.600 -0.086 0.000 1.123 748 S CA -0.047 58.133 58.200 -0.033 0.000 0.959 748 S CB 2.146 65.341 63.200 -0.008 0.000 1.172 748 S HN 1.124 nan 8.310 nan 0.000 0.539 749 A N -0.233 122.548 122.820 -0.064 0.000 2.519 749 A HA 0.412 4.732 4.320 -0.000 0.000 0.298 749 A C 0.311 177.878 177.584 -0.027 0.000 0.963 749 A CA -0.156 51.843 52.037 -0.062 0.000 0.624 749 A CB -0.230 18.696 19.000 -0.123 0.000 1.356 749 A HN 0.798 nan 8.150 nan 0.000 0.441 750 Q N -0.513 119.280 119.800 -0.012 0.000 2.077 750 Q HA -0.196 4.144 4.340 -0.000 0.000 0.206 750 Q C 1.198 177.206 176.000 0.013 0.000 0.989 750 Q CA 2.695 58.500 55.803 0.004 0.000 0.853 750 Q CB -0.083 28.660 28.738 0.008 0.000 0.907 750 Q HN 0.581 nan 8.270 nan 0.000 0.418 751 K N -2.970 117.443 120.400 0.022 0.000 3.149 751 K HA 0.165 4.485 4.320 -0.000 0.000 0.270 751 K C -0.219 176.424 176.600 0.071 0.000 1.757 751 K CA 0.056 56.373 56.287 0.051 0.000 1.163 751 K CB 0.332 32.868 32.500 0.062 0.000 2.516 751 K HN -0.027 nan 8.250 nan 0.000 0.565 752 H N 0.417 119.494 119.070 0.011 0.000 2.907 752 H HA 0.352 4.908 4.556 -0.000 0.000 0.233 752 H C -1.213 174.121 175.328 0.010 0.000 1.285 752 H CA -0.227 55.828 56.048 0.012 0.000 0.981 752 H CB 0.355 30.123 29.762 0.010 0.000 2.255 752 H HN -0.091 nan 8.280 nan 0.000 0.601 753 K N 1.741 122.187 120.400 0.076 0.000 2.402 753 K HA 0.237 4.557 4.320 -0.000 0.000 0.279 753 K C 0.783 177.416 176.600 0.056 0.000 1.082 753 K CA 0.703 57.027 56.287 0.061 0.000 1.080 753 K CB 0.532 33.051 32.500 0.032 0.000 0.899 753 K HN 0.620 nan 8.250 nan 0.000 0.469 754 A N 3.086 125.951 122.820 0.076 0.000 5.226 754 A HA -0.289 4.031 4.320 -0.000 0.000 0.286 754 A C 0.215 177.855 177.584 0.094 0.000 2.103 754 A CA 1.249 53.325 52.037 0.065 0.000 0.716 754 A CB -0.907 18.115 19.000 0.036 0.000 1.182 754 A HN 0.760 nan 8.150 nan 0.000 0.350 755 E N 0.000 120.235 120.200 0.058 0.000 2.725 755 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 755 E CA 0.000 56.437 56.400 0.061 0.000 0.976 755 E CB 0.000 29.735 29.700 0.058 0.000 0.812 755 E HN 0.000 nan 8.360 nan 0.000 0.440