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 1mjg_1_A DATA FIRST_RESID 3 DATA SEQUENCE RFRDLSHNCR PSEAPRVMEP KNRDRTVDPA VLEMLVKSKD DKVITAFDRF DATA SEQUENCE VAQQPQCKIG YEGICCRFCM AGPCRIKATD GPGSRGICGA SAWTIVARNV DATA SEQUENCE GLMILTGAAA HCEHGNHIAH ALVEMAEGKA PDYSVKDEAK LKEVCRRVGI DATA SEQUENCE EVEGKSVLEL AQEVGEKALE DFRRLKGEGE ATWLMTTINE GRKEKFRTHN DATA SEQUENCE VVPFGIHASI SELVNQAHMG MDNDPVNLVF SAIRVALADY TGEHIATDFS DATA SEQUENCE DILFGTPQPV VSEANMGVLD PDQVNFVLHG HNPLLSEIIV QAAREMEGEA DATA SEQUENCE KAAGAKGINL VGICCTGNEV LMRQGIPLVT SFASQELAIC TGAIDAMCVD DATA SEQUENCE VQCIMPSISA VAECYHTRII TTADNAKIPG AYHIDYQTAT AIESAKTAIR DATA SEQUENCE MAIEAFKERK ESNRPVYIPQ IKNRVVAGWS LEALTKLLAT QNAQNPIRVL DATA SEQUENCE NQAILDGELA GVALICGCNN LKGFQDNSHL TVMKELLKNN VFVVATGCSA DATA SEQUENCE QAAGKLGLLD PANVETYCGD GLKGFLKRLG EGANIEIGLP PVFHMGSCVD DATA SEQUENCE NSRAVDLLMA MANDLGVDTP KVPFVASAPE AMSGKAAAIG TWWVSLGVPT DATA SEQUENCE HVGTMPPVEG SDLIYSILTQ IASDVYGGYF IFEMDPQVAA RKILDALEYR DATA SEQUENCE TWKLGVHKEV AERYETKLCQ GY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 R HA 0.000 nan 4.340 nan 0.000 0.208 3 R C 0.000 176.129 176.300 -0.285 0.000 0.893 3 R CA 0.000 55.916 56.100 -0.306 0.000 0.921 3 R CB 0.000 29.956 30.300 -0.574 0.000 0.687 4 F N 2.330 122.255 119.950 -0.041 0.000 2.377 4 F HA 0.400 4.927 4.527 -0.001 0.000 0.328 4 F C 1.810 177.588 175.800 -0.037 0.000 1.094 4 F CA -0.224 57.771 58.000 -0.009 0.000 1.093 4 F CB 0.746 39.663 39.000 -0.138 0.000 1.214 4 F HN 0.174 nan 8.300 nan 0.000 0.518 5 R N 0.621 121.203 120.500 0.136 0.000 2.081 5 R HA -0.155 4.185 4.340 -0.001 0.000 0.235 5 R C 0.324 176.645 176.300 0.035 0.000 1.131 5 R CA 1.269 57.347 56.100 -0.036 0.000 0.960 5 R CB -0.203 30.013 30.300 -0.141 0.000 0.856 5 R HN 0.657 nan 8.270 nan 0.000 0.436 6 D N 1.264 121.728 120.400 0.106 0.000 2.348 6 D HA -0.035 4.604 4.640 -0.001 0.000 0.259 6 D C 1.202 177.574 176.300 0.120 0.000 1.296 6 D CA 0.112 54.165 54.000 0.089 0.000 0.931 6 D CB 0.604 41.457 40.800 0.089 0.000 1.067 6 D HN 0.241 nan 8.370 nan 0.000 0.503 7 L N 2.850 124.118 121.223 0.076 0.000 2.261 7 L HA -0.202 4.138 4.340 -0.001 0.000 0.216 7 L C 2.272 179.196 176.870 0.091 0.000 1.114 7 L CA 1.138 56.024 54.840 0.077 0.000 0.777 7 L CB -0.489 41.596 42.059 0.043 0.000 0.910 7 L HN 0.382 nan 8.230 nan 0.000 0.440 8 S N -2.453 113.298 115.700 0.085 0.000 2.562 8 S HA -0.134 4.336 4.470 -0.001 0.000 0.221 8 S C 0.795 175.472 174.600 0.129 0.000 0.975 8 S CA -0.202 58.046 58.200 0.080 0.000 0.918 8 S CB -0.554 62.671 63.200 0.042 0.000 0.772 8 S HN 0.545 nan 8.310 nan 0.000 0.531 9 H N 2.177 121.258 119.070 0.017 0.000 2.705 9 H HA 0.453 5.009 4.556 -0.001 0.000 0.291 9 H C -0.223 175.167 175.328 0.104 0.000 1.085 9 H CA -0.748 55.285 56.048 -0.026 0.000 1.357 9 H CB 0.142 29.775 29.762 -0.215 0.000 1.419 9 H HN 0.599 nan 8.280 nan 0.000 0.462 10 N N 2.127 121.035 118.700 0.347 0.000 2.966 10 N HA 0.067 4.806 4.740 -0.001 0.000 0.314 10 N C 0.895 176.594 175.510 0.315 0.000 1.397 10 N CA -0.568 52.636 53.050 0.257 0.000 0.776 10 N CB 0.377 38.972 38.487 0.180 0.000 1.576 10 N HN 0.509 nan 8.380 nan 0.000 0.592 11 C N -1.973 117.489 119.300 0.270 0.000 2.466 11 C HA 0.217 4.677 4.460 -0.001 0.000 0.283 11 C C 0.378 175.642 174.990 0.457 0.000 1.472 11 C CA -0.421 58.797 59.018 0.335 0.000 1.765 11 C CB -1.393 26.527 27.740 0.301 0.000 1.724 11 C HN 0.397 nan 8.230 nan 0.000 0.560 12 R N 1.920 122.632 120.500 0.354 0.000 2.643 12 R HA 0.522 4.861 4.340 -0.001 0.000 0.272 12 R C -2.409 174.046 176.300 0.259 0.000 0.995 12 R CA -1.597 54.690 56.100 0.312 0.000 1.032 12 R CB 0.260 30.637 30.300 0.129 0.000 1.126 12 R HN 0.256 nan 8.270 nan 0.000 0.505 13 P HA -0.008 nan 4.420 nan 0.000 0.274 13 P C -0.152 177.214 177.300 0.110 0.000 1.246 13 P CA -0.257 62.956 63.100 0.189 0.000 0.795 13 P CB 0.785 32.607 31.700 0.202 0.000 1.006 14 S N 0.653 116.400 115.700 0.078 0.000 2.617 14 S HA 0.065 4.535 4.470 -0.001 0.000 0.255 14 S C 0.942 175.568 174.600 0.043 0.000 1.318 14 S CA -0.310 57.916 58.200 0.045 0.000 0.978 14 S CB -0.021 63.190 63.200 0.018 0.000 0.961 14 S HN 0.410 nan 8.310 nan 0.000 0.582 15 E N 0.336 120.552 120.200 0.027 0.000 2.463 15 E HA 0.266 4.616 4.350 -0.001 0.000 0.191 15 E C 0.795 177.406 176.600 0.018 0.000 1.083 15 E CA 0.191 56.604 56.400 0.022 0.000 0.872 15 E CB -0.802 28.906 29.700 0.014 0.000 0.966 15 E HN 0.687 nan 8.360 nan 0.000 0.491 16 A N 3.370 126.201 122.820 0.019 0.000 2.507 16 A HA 0.176 4.495 4.320 -0.001 0.000 0.235 16 A C -1.822 175.773 177.584 0.019 0.000 1.070 16 A CA -0.807 51.237 52.037 0.013 0.000 0.768 16 A CB -0.362 18.645 19.000 0.012 0.000 1.011 16 A HN -0.043 nan 8.150 nan 0.000 0.502 17 P HA 0.168 nan 4.420 nan 0.000 0.271 17 P C 0.168 177.482 177.300 0.023 0.000 1.216 17 P CA -0.386 62.720 63.100 0.011 0.000 0.776 17 P CB 0.709 32.412 31.700 0.006 0.000 0.881 18 R N 1.141 121.651 120.500 0.016 0.000 2.148 18 R HA 0.093 4.433 4.340 -0.001 0.000 0.223 18 R C 0.374 176.704 176.300 0.050 0.000 1.088 18 R CA 0.643 56.762 56.100 0.032 0.000 0.985 18 R CB -0.597 29.683 30.300 -0.034 0.000 0.880 18 R HN 0.337 nan 8.270 nan 0.000 0.451 19 V N 2.467 122.412 119.914 0.051 0.000 2.444 19 V HA 0.271 4.390 4.120 -0.001 0.000 0.294 19 V C -0.032 176.133 176.094 0.118 0.000 1.022 19 V CA -0.676 61.703 62.300 0.131 0.000 0.850 19 V CB 2.070 34.000 31.823 0.179 0.000 0.992 19 V HN 0.020 nan 8.190 nan 0.000 0.426 20 M N 2.953 122.633 119.600 0.133 0.000 2.146 20 M HA 0.329 4.809 4.480 -0.001 0.000 0.357 20 M C 0.686 177.117 176.300 0.219 0.000 1.261 20 M CA 0.132 55.490 55.300 0.097 0.000 1.106 20 M CB 0.009 32.595 32.600 -0.024 0.000 1.612 20 M HN 0.771 nan 8.290 nan 0.000 0.470 21 E N 3.036 123.326 120.200 0.151 0.000 2.202 21 E HA -0.202 4.147 4.350 -0.001 0.000 0.169 21 E C -1.631 175.116 176.600 0.245 0.000 1.536 21 E CA -0.157 56.359 56.400 0.194 0.000 0.664 21 E CB -0.908 28.948 29.700 0.259 0.000 1.064 21 E HN 0.528 nan 8.360 nan 0.000 0.327 22 P HA -0.218 nan 4.420 nan 0.000 0.219 22 P C 0.716 178.131 177.300 0.191 0.000 1.144 22 P CA 1.275 64.516 63.100 0.235 0.000 0.806 22 P CB 0.279 32.053 31.700 0.124 0.000 0.771 23 K N -1.119 119.365 120.400 0.141 0.000 2.358 23 K HA 0.110 4.429 4.320 -0.001 0.000 0.197 23 K C 0.585 177.252 176.600 0.112 0.000 1.025 23 K CA -0.224 56.126 56.287 0.105 0.000 1.104 23 K CB -0.251 32.289 32.500 0.067 0.000 0.855 23 K HN 0.076 nan 8.250 nan 0.000 0.531 24 N N 2.076 120.863 118.700 0.146 0.000 2.414 24 N HA 0.032 4.772 4.740 -0.001 0.000 0.256 24 N C 0.944 176.492 175.510 0.063 0.000 1.029 24 N CA -0.128 52.991 53.050 0.115 0.000 0.948 24 N CB 0.856 39.455 38.487 0.187 0.000 1.102 24 N HN 0.100 nan 8.380 nan 0.000 0.496 25 R N 1.836 122.360 120.500 0.040 0.000 2.236 25 R HA 0.094 4.433 4.340 -0.001 0.000 0.208 25 R C -0.689 175.569 176.300 -0.070 0.000 1.036 25 R CA 0.674 56.799 56.100 0.042 0.000 1.001 25 R CB 0.098 30.429 30.300 0.051 0.000 0.896 25 R HN 0.310 nan 8.270 nan 0.000 0.464 26 D N 2.770 123.076 120.400 -0.158 0.000 3.085 26 D HA 0.037 4.677 4.640 -0.001 0.000 0.243 26 D C -0.353 175.628 176.300 -0.532 0.000 1.232 26 D CA 0.052 53.885 54.000 -0.278 0.000 0.913 26 D CB 0.253 40.962 40.800 -0.152 0.000 1.108 26 D HN 0.300 nan 8.370 nan 0.000 0.468 27 R N 0.692 120.828 120.500 -0.607 0.000 4.576 27 R HA 0.143 4.482 4.340 -0.001 0.000 0.185 27 R C 0.515 176.458 176.300 -0.597 0.000 1.837 27 R CA 0.020 55.376 56.100 -1.241 0.000 1.520 27 R CB -0.150 29.768 30.300 -0.636 0.000 1.403 27 R HN -0.045 nan 8.270 nan 0.000 0.831 28 T N -1.409 112.891 114.554 -0.423 0.000 2.830 28 T HA 0.205 4.555 4.350 -0.001 0.000 0.322 28 T C 0.106 174.874 174.700 0.114 0.000 1.501 28 T CA -0.741 61.356 62.100 -0.005 0.000 1.036 28 T CB 1.751 70.608 68.868 -0.018 0.000 1.379 28 T HN 0.094 nan 8.240 nan 0.000 0.493 29 V N -0.179 119.822 119.914 0.145 0.000 3.380 29 V HA 0.496 4.616 4.120 -0.001 0.000 0.307 29 V C 0.317 176.453 176.094 0.071 0.000 1.434 29 V CA -0.075 62.299 62.300 0.125 0.000 1.075 29 V CB 0.264 32.166 31.823 0.132 0.000 0.954 29 V HN 0.769 nan 8.190 nan 0.000 0.444 30 D N 1.975 122.405 120.400 0.050 0.000 2.339 30 D HA 0.314 4.954 4.640 -0.001 0.000 0.241 30 D C -1.604 174.698 176.300 0.003 0.000 1.183 30 D CA -1.883 52.135 54.000 0.030 0.000 0.859 30 D CB 2.220 43.039 40.800 0.031 0.000 1.067 30 D HN 0.111 nan 8.370 nan 0.000 0.484 31 P HA -0.167 nan 4.420 nan 0.000 0.215 31 P C 1.031 178.329 177.300 -0.004 0.000 1.157 31 P CA 1.753 64.857 63.100 0.005 0.000 0.874 31 P CB 0.211 31.921 31.700 0.016 0.000 0.790 32 A N -0.737 122.081 122.820 -0.003 0.000 1.908 32 A HA -0.182 4.137 4.320 -0.001 0.000 0.218 32 A C 2.327 179.895 177.584 -0.027 0.000 1.181 32 A CA 2.037 54.071 52.037 -0.005 0.000 0.627 32 A CB -1.752 17.240 19.000 -0.012 0.000 0.818 32 A HN 0.053 nan 8.150 nan 0.000 0.445 33 V N 0.023 119.902 119.914 -0.058 0.000 2.358 33 V HA -0.237 3.882 4.120 -0.001 0.000 0.246 33 V C 2.538 178.514 176.094 -0.197 0.000 1.047 33 V CA 1.792 64.012 62.300 -0.134 0.000 1.035 33 V CB -0.794 30.941 31.823 -0.146 0.000 0.658 33 V HN 0.559 nan 8.190 nan 0.000 0.452 34 L N -0.303 120.832 121.223 -0.147 0.000 2.042 34 L HA -0.217 4.122 4.340 -0.001 0.000 0.210 34 L C 2.637 179.442 176.870 -0.109 0.000 1.076 34 L CA 1.798 56.551 54.840 -0.145 0.000 0.749 34 L CB -0.594 41.417 42.059 -0.080 0.000 0.893 34 L HN 0.393 nan 8.230 nan 0.000 0.432 35 E N -0.525 119.646 120.200 -0.050 0.000 2.051 35 E HA -0.231 4.119 4.350 -0.001 0.000 0.192 35 E C 2.262 178.838 176.600 -0.041 0.000 0.991 35 E CA 1.171 57.564 56.400 -0.012 0.000 0.799 35 E CB -0.051 29.718 29.700 0.116 0.000 0.748 35 E HN 0.353 nan 8.360 nan 0.000 0.449 36 M N 0.271 119.854 119.600 -0.029 0.000 2.229 36 M HA -0.101 4.379 4.480 -0.001 0.000 0.264 36 M C 2.106 178.343 176.300 -0.105 0.000 1.063 36 M CA 0.852 56.126 55.300 -0.042 0.000 1.114 36 M CB -0.642 31.932 32.600 -0.044 0.000 1.387 36 M HN 0.131 nan 8.290 nan 0.000 0.420 37 L N -0.311 120.809 121.223 -0.172 0.000 2.191 37 L HA -0.117 4.222 4.340 -0.001 0.000 0.212 37 L C 2.460 179.254 176.870 -0.128 0.000 1.103 37 L CA 1.122 55.843 54.840 -0.197 0.000 0.769 37 L CB -1.333 40.546 42.059 -0.300 0.000 0.908 37 L HN 0.095 nan 8.230 nan 0.000 0.438 38 V N -0.574 119.267 119.914 -0.122 0.000 2.379 38 V HA -0.258 3.862 4.120 -0.001 0.000 0.245 38 V C 2.555 178.586 176.094 -0.105 0.000 1.044 38 V CA 1.641 63.874 62.300 -0.112 0.000 1.036 38 V CB -0.457 31.285 31.823 -0.134 0.000 0.664 38 V HN 0.417 nan 8.190 nan 0.000 0.453 39 K N 0.673 121.003 120.400 -0.116 0.000 2.103 39 K HA -0.151 4.168 4.320 -0.001 0.000 0.204 39 K C 2.397 178.993 176.600 -0.007 0.000 1.052 39 K CA 1.547 57.787 56.287 -0.079 0.000 0.945 39 K CB -0.157 32.295 32.500 -0.080 0.000 0.722 39 K HN 0.613 nan 8.250 nan 0.000 0.443 40 S N 0.795 116.492 115.700 -0.006 0.000 2.383 40 S HA -0.182 4.288 4.470 -0.001 0.000 0.227 40 S C 1.990 176.598 174.600 0.014 0.000 1.026 40 S CA 1.251 59.472 58.200 0.035 0.000 0.981 40 S CB -0.239 62.972 63.200 0.019 0.000 0.818 40 S HN 0.340 nan 8.310 nan 0.000 0.472 41 K N 1.322 121.712 120.400 -0.017 0.000 2.057 41 K HA -0.158 4.162 4.320 -0.001 0.000 0.207 41 K C 1.491 178.080 176.600 -0.018 0.000 1.049 41 K CA 1.842 58.118 56.287 -0.019 0.000 0.931 41 K CB -0.381 32.099 32.500 -0.033 0.000 0.714 41 K HN 0.341 nan 8.250 nan 0.000 0.440 42 D N 0.722 121.107 120.400 -0.025 0.000 2.117 42 D HA -0.118 4.522 4.640 -0.001 0.000 0.198 42 D C 1.041 177.331 176.300 -0.018 0.000 0.982 42 D CA 1.234 55.218 54.000 -0.026 0.000 0.828 42 D CB 0.021 40.797 40.800 -0.039 0.000 0.967 42 D HN 0.226 nan 8.370 nan 0.000 0.464 43 D N 0.290 120.691 120.400 0.001 0.000 2.363 43 D HA -0.015 4.625 4.640 -0.001 0.000 0.226 43 D C 0.095 176.375 176.300 -0.033 0.000 1.020 43 D CA 0.287 54.278 54.000 -0.014 0.000 0.892 43 D CB 0.070 40.894 40.800 0.039 0.000 0.900 43 D HN 0.204 nan 8.370 nan 0.000 0.531 44 K N -0.455 119.935 120.400 -0.016 0.000 3.077 44 K HA -0.151 4.168 4.320 -0.001 0.000 0.264 44 K C -0.719 175.874 176.600 -0.011 0.000 1.008 44 K CA 0.055 56.331 56.287 -0.017 0.000 0.740 44 K CB -1.558 30.925 32.500 -0.029 0.000 1.273 44 K HN 0.045 nan 8.250 nan 0.000 0.477 45 V N 1.694 121.617 119.914 0.016 0.000 2.427 45 V HA 0.359 4.478 4.120 -0.001 0.000 0.286 45 V C 0.681 176.800 176.094 0.043 0.000 1.034 45 V CA -0.702 61.620 62.300 0.037 0.000 0.893 45 V CB 1.548 33.435 31.823 0.107 0.000 0.982 45 V HN 0.171 nan 8.190 nan 0.000 0.452 46 I N 4.998 125.590 120.570 0.037 0.000 2.395 46 I HA 0.429 4.598 4.170 -0.001 0.000 0.289 46 I C 0.686 176.838 176.117 0.058 0.000 1.023 46 I CA 0.203 61.529 61.300 0.043 0.000 1.350 46 I CB 1.546 39.563 38.000 0.029 0.000 1.409 46 I HN 0.809 nan 8.210 nan 0.000 0.507 47 T N 1.804 116.407 114.554 0.082 0.000 2.888 47 T HA 0.555 4.905 4.350 -0.001 0.000 0.288 47 T C 0.907 175.658 174.700 0.086 0.000 1.063 47 T CA -0.256 61.905 62.100 0.102 0.000 1.010 47 T CB 1.719 70.700 68.868 0.188 0.000 1.214 47 T HN 0.529 nan 8.240 nan 0.000 0.533 48 A N -0.058 122.767 122.820 0.009 0.000 1.986 48 A HA 0.073 4.393 4.320 -0.001 0.000 0.220 48 A C 1.793 179.296 177.584 -0.135 0.000 1.171 48 A CA 1.419 53.386 52.037 -0.117 0.000 0.640 48 A CB -1.319 17.499 19.000 -0.304 0.000 0.811 48 A HN 0.758 nan 8.150 nan 0.000 0.451 49 F N 0.593 120.539 119.950 -0.008 0.000 2.186 49 F HA -0.132 4.395 4.527 -0.001 0.000 0.299 49 F C 2.162 177.996 175.800 0.057 0.000 1.090 49 F CA 1.536 59.532 58.000 -0.007 0.000 1.307 49 F CB -0.259 38.697 39.000 -0.075 0.000 1.019 49 F HN 0.248 nan 8.300 nan 0.000 0.489 50 D N -0.111 120.414 120.400 0.209 0.000 2.149 50 D HA -0.080 4.560 4.640 -0.001 0.000 0.201 50 D C 2.285 178.645 176.300 0.099 0.000 0.972 50 D CA 0.780 54.859 54.000 0.132 0.000 0.835 50 D CB -0.338 40.516 40.800 0.091 0.000 0.966 50 D HN 0.299 nan 8.370 nan 0.000 0.476 51 R N 0.038 120.588 120.500 0.082 0.000 2.096 51 R HA -0.098 4.241 4.340 -0.001 0.000 0.235 51 R C 2.295 178.623 176.300 0.046 0.000 1.127 51 R CA 0.590 56.718 56.100 0.047 0.000 0.968 51 R CB -0.444 29.876 30.300 0.033 0.000 0.861 51 R HN 0.173 nan 8.270 nan 0.000 0.440 52 F N 1.288 121.219 119.950 -0.033 0.000 2.095 52 F HA -0.233 4.293 4.527 -0.001 0.000 0.298 52 F C 2.115 177.910 175.800 -0.009 0.000 1.104 52 F CA 1.402 59.382 58.000 -0.032 0.000 1.232 52 F CB -0.292 38.670 39.000 -0.063 0.000 0.987 52 F HN -0.288 nan 8.300 nan 0.000 0.475 53 V N 0.637 120.644 119.914 0.156 0.000 2.332 53 V HA -0.331 3.788 4.120 -0.001 0.000 0.248 53 V C 2.733 178.791 176.094 -0.060 0.000 1.055 53 V CA 1.846 64.186 62.300 0.067 0.000 1.038 53 V CB -1.574 30.327 31.823 0.130 0.000 0.651 53 V HN 0.511 nan 8.190 nan 0.000 0.450 54 A N -1.119 121.676 122.820 -0.041 0.000 2.019 54 A HA -0.218 4.102 4.320 -0.001 0.000 0.219 54 A C 2.131 179.655 177.584 -0.101 0.000 1.164 54 A CA 1.361 53.367 52.037 -0.052 0.000 0.644 54 A CB -0.341 18.643 19.000 -0.025 0.000 0.805 54 A HN 0.536 nan 8.150 nan 0.000 0.449 55 Q N -0.098 119.596 119.800 -0.175 0.000 2.378 55 Q HA -0.000 4.340 4.340 -0.001 0.000 0.205 55 Q C 0.128 175.988 176.000 -0.234 0.000 0.954 55 Q CA 0.444 56.124 55.803 -0.205 0.000 0.901 55 Q CB -0.099 28.484 28.738 -0.258 0.000 0.981 55 Q HN 0.618 nan 8.270 nan 0.000 0.483 56 Q N 2.027 121.663 119.800 -0.273 0.000 2.337 56 Q HA 0.180 4.520 4.340 -0.001 0.000 0.270 56 Q C -1.865 174.061 176.000 -0.123 0.000 1.002 56 Q CA -1.073 54.599 55.803 -0.218 0.000 0.888 56 Q CB -0.004 28.623 28.738 -0.186 0.000 1.222 56 Q HN 0.162 nan 8.270 nan 0.000 0.400 57 P HA 0.220 nan 4.420 nan 0.000 0.288 57 P C -0.860 176.364 177.300 -0.126 0.000 1.267 57 P CA -0.511 62.517 63.100 -0.120 0.000 0.815 57 P CB 1.246 32.895 31.700 -0.084 0.000 0.989 58 Q N 0.427 120.136 119.800 -0.152 0.000 2.259 58 Q HA 0.241 4.581 4.340 -0.001 0.000 0.246 58 Q C -0.027 175.925 176.000 -0.080 0.000 0.920 58 Q CA -0.561 55.171 55.803 -0.118 0.000 0.895 58 Q CB 1.139 29.801 28.738 -0.127 0.000 1.220 58 Q HN 0.526 nan 8.270 nan 0.000 0.439 59 C N 3.205 122.483 119.300 -0.036 0.000 2.519 59 C HA -0.058 4.402 4.460 -0.001 0.000 0.402 59 C C 1.809 176.819 174.990 0.032 0.000 1.475 59 C CA 0.355 59.369 59.018 -0.006 0.000 1.504 59 C CB -0.797 26.948 27.740 0.009 0.000 2.454 59 C HN 0.933 nan 8.230 nan 0.000 0.615 60 K N 3.854 124.264 120.400 0.018 0.000 2.097 60 K HA -0.091 4.229 4.320 -0.001 0.000 0.205 60 K C 1.741 178.412 176.600 0.118 0.000 1.050 60 K CA 1.617 57.943 56.287 0.064 0.000 0.938 60 K CB -0.057 32.453 32.500 0.018 0.000 0.718 60 K HN 0.867 nan 8.250 nan 0.000 0.442 61 I N 0.339 120.947 120.570 0.064 0.000 2.179 61 I HA -0.208 3.961 4.170 -0.001 0.000 0.242 61 I C 2.442 178.593 176.117 0.057 0.000 1.088 61 I CA 1.536 62.866 61.300 0.049 0.000 1.357 61 I CB -0.603 37.412 38.000 0.025 0.000 1.051 61 I HN 0.342 nan 8.210 nan 0.000 0.409 62 G N -0.314 108.525 108.800 0.065 0.000 2.408 62 G HA2 -0.317 3.642 3.960 -0.001 0.000 0.217 62 G HA3 -0.317 3.642 3.960 -0.001 0.000 0.217 62 G C 1.653 176.601 174.900 0.080 0.000 1.150 62 G CA 0.524 45.661 45.100 0.061 0.000 0.776 62 G HN 0.376 nan 8.290 nan 0.000 0.542 63 Y N 1.456 121.746 120.300 -0.016 0.000 2.256 63 Y HA -0.081 4.468 4.550 -0.001 0.000 0.288 63 Y C 2.417 178.299 175.900 -0.031 0.000 1.155 63 Y CA 1.968 60.054 58.100 -0.023 0.000 1.203 63 Y CB 0.097 38.544 38.460 -0.022 0.000 0.980 63 Y HN 0.350 nan 8.280 nan 0.000 0.530 64 E N -0.925 119.271 120.200 -0.007 0.000 2.489 64 E HA 0.149 4.498 4.350 -0.001 0.000 0.193 64 E C 1.411 177.962 176.600 -0.082 0.000 1.057 64 E CA 0.441 56.787 56.400 -0.091 0.000 0.866 64 E CB -0.015 29.691 29.700 0.009 0.000 0.916 64 E HN 0.602 nan 8.360 nan 0.000 0.500 65 G N 2.341 111.106 108.800 -0.058 0.000 2.148 65 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.254 65 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.254 65 G C 0.722 175.612 174.900 -0.016 0.000 0.981 65 G CA 0.542 45.620 45.100 -0.037 0.000 0.670 65 G HN 0.458 nan 8.290 nan 0.000 0.528 66 I N -1.891 118.673 120.570 -0.010 0.000 3.874 66 I HA 0.522 4.691 4.170 -0.001 0.000 0.331 66 I C 0.770 176.882 176.117 -0.008 0.000 1.489 66 I CA -0.593 60.698 61.300 -0.015 0.000 1.187 66 I CB -0.012 37.978 38.000 -0.017 0.000 1.150 66 I HN 0.214 nan 8.210 nan 0.000 0.412 67 C N 1.591 120.896 119.300 0.009 0.000 2.345 67 C HA 0.690 5.150 4.460 -0.001 0.000 0.323 67 C C 0.099 175.116 174.990 0.046 0.000 1.276 67 C CA -0.650 58.380 59.018 0.020 0.000 1.543 67 C CB 0.719 28.474 27.740 0.026 0.000 2.211 67 C HN 0.709 nan 8.230 nan 0.000 0.493 68 C N 7.082 126.412 119.300 0.049 0.000 2.379 68 C HA 0.709 5.169 4.460 -0.001 0.000 0.323 68 C C 0.545 175.613 174.990 0.130 0.000 1.262 68 C CA -0.430 58.655 59.018 0.111 0.000 1.581 68 C CB 0.290 28.058 27.740 0.048 0.000 2.221 68 C HN 1.034 nan 8.230 nan 0.000 0.497 69 R N 3.786 124.410 120.500 0.208 0.000 2.698 69 R HA 0.184 4.523 4.340 -0.001 0.000 0.422 69 R C -0.196 176.134 176.300 0.051 0.000 1.073 69 R CA -0.146 56.006 56.100 0.087 0.000 1.054 69 R CB 0.150 30.458 30.300 0.013 0.000 1.373 69 R HN 0.695 nan 8.270 nan 0.000 0.593 70 F N 0.428 120.348 119.950 -0.049 0.000 2.748 70 F HA 0.013 4.540 4.527 -0.001 0.000 0.299 70 F C 1.322 177.058 175.800 -0.107 0.000 1.154 70 F CA -0.169 57.791 58.000 -0.067 0.000 1.446 70 F CB 0.219 39.178 39.000 -0.068 0.000 1.112 70 F HN 0.206 nan 8.300 nan 0.000 0.584 71 C N -2.409 116.909 119.300 0.029 0.000 3.318 71 C HA 0.442 4.901 4.460 -0.001 0.000 0.322 71 C C 1.048 176.026 174.990 -0.020 0.000 1.398 71 C CA -1.065 57.932 59.018 -0.034 0.000 1.339 71 C CB 0.622 28.320 27.740 -0.070 0.000 1.668 71 C HN 0.218 nan 8.230 nan 0.000 0.462 72 M N 1.684 121.271 119.600 -0.021 0.000 2.686 72 M HA 0.076 4.555 4.480 -0.001 0.000 0.246 72 M C 1.810 178.106 176.300 -0.007 0.000 1.096 72 M CA 1.136 56.428 55.300 -0.013 0.000 1.076 72 M CB -0.187 32.407 32.600 -0.010 0.000 1.504 72 M HN 0.901 nan 8.290 nan 0.000 0.524 73 A N 0.261 123.077 122.820 -0.006 0.000 2.132 73 A HA 0.315 4.635 4.320 -0.001 0.000 0.213 73 A C 1.446 179.028 177.584 -0.003 0.000 1.154 73 A CA 0.678 52.713 52.037 -0.004 0.000 0.753 73 A CB -0.492 18.506 19.000 -0.004 0.000 0.826 73 A HN 0.464 nan 8.150 nan 0.000 0.469 74 G N -0.114 108.686 108.800 -0.000 0.000 2.509 74 G HA2 0.472 4.431 3.960 -0.001 0.000 0.269 74 G HA3 0.472 4.431 3.960 -0.001 0.000 0.269 74 G C -2.480 172.420 174.900 -0.001 0.000 1.416 74 G CA -1.041 44.060 45.100 0.003 0.000 1.052 74 G HN 0.216 nan 8.290 nan 0.000 0.542 75 P HA 0.370 nan 4.420 nan 0.000 0.271 75 P C -0.723 176.579 177.300 0.004 0.000 1.216 75 P CA -0.213 62.892 63.100 0.008 0.000 0.776 75 P CB 0.803 32.507 31.700 0.006 0.000 0.881 76 C N 2.648 121.952 119.300 0.007 0.000 2.529 76 C HA 0.778 5.237 4.460 -0.001 0.000 0.329 76 C C 0.042 175.028 174.990 -0.007 0.000 1.194 76 C CA -0.517 58.498 59.018 -0.005 0.000 1.779 76 C CB 1.449 29.181 27.740 -0.013 0.000 2.322 76 C HN 0.694 nan 8.230 nan 0.000 0.500 77 R N 1.438 121.929 120.500 -0.016 0.000 2.651 77 R HA 0.626 4.966 4.340 -0.001 0.000 0.278 77 R C -1.521 174.762 176.300 -0.029 0.000 1.010 77 R CA -0.669 55.420 56.100 -0.017 0.000 0.896 77 R CB 0.726 31.020 30.300 -0.009 0.000 1.211 77 R HN 0.446 nan 8.270 nan 0.000 0.456 78 I N 3.207 123.755 120.570 -0.036 0.000 2.505 78 I HA 0.054 4.224 4.170 -0.001 0.000 0.287 78 I C 0.855 176.954 176.117 -0.031 0.000 1.104 78 I CA 0.217 61.489 61.300 -0.046 0.000 1.387 78 I CB 0.766 38.731 38.000 -0.057 0.000 1.404 78 I HN 0.804 nan 8.210 nan 0.000 0.528 79 K N 4.316 124.698 120.400 -0.030 0.000 2.354 79 K HA 0.404 4.724 4.320 -0.001 0.000 0.194 79 K C 0.461 177.050 176.600 -0.019 0.000 1.045 79 K CA 0.265 56.540 56.287 -0.021 0.000 1.026 79 K CB 0.794 33.283 32.500 -0.019 0.000 0.866 79 K HN 0.735 nan 8.250 nan 0.000 0.530 80 A N 0.040 122.845 122.820 -0.025 0.000 2.581 80 A HA 0.283 4.602 4.320 -0.001 0.000 0.290 80 A C 0.494 178.063 177.584 -0.025 0.000 1.119 80 A CA -0.455 51.570 52.037 -0.019 0.000 0.670 80 A CB 0.720 19.710 19.000 -0.016 0.000 1.280 80 A HN 0.066 nan 8.150 nan 0.000 0.425 81 T N -1.722 112.823 114.554 -0.015 0.000 3.067 81 T HA 0.217 4.566 4.350 -0.001 0.000 0.261 81 T C 0.294 174.984 174.700 -0.016 0.000 1.110 81 T CA 1.447 63.540 62.100 -0.012 0.000 1.113 81 T CB -0.503 68.368 68.868 0.005 0.000 0.917 81 T HN 0.926 nan 8.240 nan 0.000 0.499 82 D N -0.846 119.544 120.400 -0.016 0.000 2.626 82 D HA 0.507 5.147 4.640 -0.001 0.000 0.278 82 D C 0.274 176.563 176.300 -0.018 0.000 1.211 82 D CA -0.067 53.924 54.000 -0.016 0.000 0.903 82 D CB 1.237 42.034 40.800 -0.004 0.000 1.408 82 D HN 0.544 nan 8.370 nan 0.000 0.454 83 G N 0.217 109.007 108.800 -0.017 0.000 2.710 83 G HA2 -0.113 3.847 3.960 -0.001 0.000 0.668 83 G HA3 -0.113 3.847 3.960 -0.001 0.000 0.668 83 G C -1.851 173.035 174.900 -0.023 0.000 1.320 83 G CA -0.235 44.855 45.100 -0.016 0.000 0.860 83 G HN 0.548 nan 8.290 nan 0.000 0.538 84 P HA -0.006 nan 4.420 nan 0.000 0.226 84 P C 1.351 178.634 177.300 -0.028 0.000 1.146 84 P CA 1.957 65.043 63.100 -0.023 0.000 0.773 84 P CB -0.158 31.532 31.700 -0.017 0.000 0.772 85 G N 0.007 108.789 108.800 -0.029 0.000 3.393 85 G HA2 0.030 3.990 3.960 -0.001 0.000 0.255 85 G HA3 0.030 3.990 3.960 -0.001 0.000 0.255 85 G C 1.156 176.029 174.900 -0.044 0.000 1.097 85 G CA 0.258 45.339 45.100 -0.033 0.000 0.780 85 G HN 0.385 nan 8.290 nan 0.000 0.540 86 S N -0.464 115.205 115.700 -0.053 0.000 2.575 86 S HA 0.374 4.843 4.470 -0.001 0.000 0.215 86 S C 0.867 175.400 174.600 -0.113 0.000 0.966 86 S CA -0.487 57.670 58.200 -0.073 0.000 0.911 86 S CB 0.500 63.661 63.200 -0.065 0.000 0.780 86 S HN 0.327 nan 8.310 nan 0.000 0.514 87 R N -0.606 119.832 120.500 -0.102 0.000 2.817 87 R HA 0.632 4.972 4.340 -0.001 0.000 0.268 87 R C 0.255 176.499 176.300 -0.094 0.000 1.027 87 R CA -0.649 55.374 56.100 -0.129 0.000 0.928 87 R CB 0.867 31.090 30.300 -0.128 0.000 1.228 87 R HN 0.190 nan 8.270 nan 0.000 0.469 88 G N 0.224 108.966 108.800 -0.098 0.000 2.651 88 G HA2 0.187 4.147 3.960 -0.001 0.000 0.260 88 G HA3 0.187 4.147 3.960 -0.001 0.000 0.260 88 G C 0.974 175.844 174.900 -0.049 0.000 1.216 88 G CA -0.537 44.523 45.100 -0.066 0.000 0.913 88 G HN 0.549 nan 8.290 nan 0.000 0.535 89 I N 0.045 120.595 120.570 -0.033 0.000 2.264 89 I HA -0.248 3.921 4.170 -0.001 0.000 0.248 89 I C 2.808 178.912 176.117 -0.022 0.000 1.111 89 I CA 1.670 62.956 61.300 -0.024 0.000 1.382 89 I CB -0.219 37.772 38.000 -0.015 0.000 1.060 89 I HN 0.620 nan 8.210 nan 0.000 0.418 90 C N 0.063 119.350 119.300 -0.023 0.000 2.491 90 C HA 0.399 4.859 4.460 -0.001 0.000 0.277 90 C C 1.884 176.860 174.990 -0.023 0.000 1.455 90 C CA -0.088 58.921 59.018 -0.016 0.000 1.758 90 C CB -1.038 26.695 27.740 -0.012 0.000 1.745 90 C HN 0.742 nan 8.230 nan 0.000 0.558 91 G N 0.142 108.917 108.800 -0.041 0.000 2.176 91 G HA2 0.090 4.050 3.960 -0.001 0.000 0.232 91 G HA3 0.090 4.050 3.960 -0.001 0.000 0.232 91 G C 0.326 175.173 174.900 -0.088 0.000 0.986 91 G CA 0.153 45.220 45.100 -0.054 0.000 0.643 91 G HN 1.595 nan 8.290 nan 0.000 0.522 92 A N 0.601 123.365 122.820 -0.092 0.000 2.567 92 A HA 0.576 4.896 4.320 -0.001 0.000 0.240 92 A C 1.036 178.475 177.584 -0.242 0.000 1.053 92 A CA 1.324 53.280 52.037 -0.135 0.000 0.755 92 A CB 0.200 19.129 19.000 -0.118 0.000 0.978 92 A HN 1.161 nan 8.150 nan 0.000 0.507 93 S N 1.185 116.643 115.700 -0.404 0.000 2.624 93 S HA 0.412 4.882 4.470 -0.001 0.000 0.263 93 S C 1.755 175.960 174.600 -0.658 0.000 1.287 93 S CA -0.104 57.648 58.200 -0.746 0.000 0.990 93 S CB 1.270 63.514 63.200 -1.594 0.000 0.950 93 S HN 1.167 nan 8.310 nan 0.000 0.561 94 A N 0.927 123.383 122.820 -0.608 0.000 1.908 94 A HA -0.129 4.191 4.320 -0.001 0.000 0.218 94 A C 1.864 179.348 177.584 -0.166 0.000 1.181 94 A CA 1.969 53.828 52.037 -0.298 0.000 0.627 94 A CB -1.058 17.836 19.000 -0.176 0.000 0.818 94 A HN 1.022 nan 8.150 nan 0.000 0.445 95 W N -0.332 120.965 121.300 -0.005 0.000 2.374 95 W HA -0.026 4.634 4.660 -0.001 0.000 0.288 95 W C 1.622 178.128 176.519 -0.022 0.000 1.218 95 W CA 1.434 58.779 57.345 -0.001 0.000 1.245 95 W CB -1.519 27.948 29.460 0.012 0.000 1.126 95 W HN 0.083 nan 8.180 nan 0.000 0.545 96 T N 1.983 116.580 114.554 0.073 0.000 2.777 96 T HA -0.128 4.222 4.350 -0.001 0.000 0.266 96 T C 1.875 176.536 174.700 -0.066 0.000 1.040 96 T CA 1.978 64.119 62.100 0.069 0.000 1.141 96 T CB -0.357 68.499 68.868 -0.020 0.000 0.868 96 T HN 0.181 nan 8.240 nan 0.000 0.444 97 I N 0.720 121.219 120.570 -0.119 0.000 2.226 97 I HA -0.136 4.033 4.170 -0.001 0.000 0.245 97 I C 2.423 178.485 176.117 -0.092 0.000 1.100 97 I CA 0.847 62.065 61.300 -0.136 0.000 1.374 97 I CB -0.341 37.593 38.000 -0.111 0.000 1.057 97 I HN 0.088 nan 8.210 nan 0.000 0.413 98 V N 0.952 120.848 119.914 -0.030 0.000 2.358 98 V HA -0.272 3.848 4.120 -0.001 0.000 0.246 98 V C 2.719 178.812 176.094 -0.001 0.000 1.047 98 V CA 1.939 64.238 62.300 -0.002 0.000 1.035 98 V CB -0.865 30.985 31.823 0.044 0.000 0.658 98 V HN 0.485 nan 8.190 nan 0.000 0.452 99 A N -0.090 122.744 122.820 0.024 0.000 1.908 99 A HA -0.260 4.060 4.320 -0.001 0.000 0.218 99 A C 2.354 179.918 177.584 -0.033 0.000 1.181 99 A CA 2.003 54.057 52.037 0.028 0.000 0.627 99 A CB -0.515 18.525 19.000 0.068 0.000 0.818 99 A HN 0.514 nan 8.150 nan 0.000 0.445 100 R N -0.402 120.009 120.500 -0.148 0.000 2.073 100 R HA -0.118 4.221 4.340 -0.001 0.000 0.234 100 R C 1.982 178.235 176.300 -0.078 0.000 1.134 100 R CA 1.533 57.438 56.100 -0.326 0.000 0.952 100 R CB -0.373 29.371 30.300 -0.928 0.000 0.850 100 R HN 0.554 nan 8.270 nan 0.000 0.433 101 N N 0.280 118.967 118.700 -0.022 0.000 2.106 101 N HA -0.139 4.600 4.740 -0.001 0.000 0.188 101 N C 1.813 177.357 175.510 0.057 0.000 1.029 101 N CA 1.112 54.215 53.050 0.089 0.000 0.848 101 N CB -0.389 38.129 38.487 0.051 0.000 1.007 101 N HN 0.060 nan 8.380 nan 0.000 0.423 102 V N 1.129 121.051 119.914 0.012 0.000 2.548 102 V HA 0.003 4.123 4.120 -0.001 0.000 0.249 102 V C 2.074 178.188 176.094 0.033 0.000 1.055 102 V CA 1.951 64.248 62.300 -0.004 0.000 1.065 102 V CB -0.789 31.012 31.823 -0.037 0.000 0.681 102 V HN 0.308 nan 8.190 nan 0.000 0.462 103 G N -0.020 108.811 108.800 0.052 0.000 2.422 103 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.218 103 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.218 103 G C 1.497 176.460 174.900 0.105 0.000 1.146 103 G CA 1.117 46.262 45.100 0.075 0.000 0.769 103 G HN 0.511 nan 8.290 nan 0.000 0.547 104 L N 0.486 121.800 121.223 0.151 0.000 2.046 104 L HA 0.048 4.387 4.340 -0.001 0.000 0.208 104 L C 2.816 179.735 176.870 0.082 0.000 1.077 104 L CA 1.714 56.652 54.840 0.163 0.000 0.747 104 L CB -0.414 41.779 42.059 0.224 0.000 0.896 104 L HN 0.248 nan 8.230 nan 0.000 0.432 105 M N -1.127 118.507 119.600 0.057 0.000 2.086 105 M HA -0.219 4.260 4.480 -0.001 0.000 0.261 105 M C 2.295 178.608 176.300 0.023 0.000 1.067 105 M CA 1.935 57.248 55.300 0.023 0.000 1.116 105 M CB -0.488 32.114 32.600 0.004 0.000 1.348 105 M HN 0.248 nan 8.290 nan 0.000 0.407 106 I N 0.435 121.028 120.570 0.038 0.000 2.208 106 I HA -0.319 3.851 4.170 -0.001 0.000 0.245 106 I C 2.312 178.458 176.117 0.050 0.000 1.097 106 I CA 1.344 62.673 61.300 0.049 0.000 1.363 106 I CB -0.402 37.638 38.000 0.065 0.000 1.051 106 I HN 0.293 nan 8.210 nan 0.000 0.413 107 L N 0.255 121.512 121.223 0.057 0.000 2.017 107 L HA -0.223 4.116 4.340 -0.001 0.000 0.208 107 L C 2.863 179.755 176.870 0.036 0.000 1.073 107 L CA 2.129 57.004 54.840 0.057 0.000 0.745 107 L CB -0.960 41.145 42.059 0.078 0.000 0.894 107 L HN 0.438 nan 8.230 nan 0.000 0.432 108 T N -3.414 111.151 114.554 0.019 0.000 2.833 108 T HA -0.098 4.252 4.350 -0.001 0.000 0.269 108 T C 1.883 176.557 174.700 -0.044 0.000 1.054 108 T CA 1.003 63.098 62.100 -0.008 0.000 1.135 108 T CB -0.833 68.025 68.868 -0.018 0.000 0.869 108 T HN 0.396 nan 8.240 nan 0.000 0.466 109 G N 1.265 110.035 108.800 -0.050 0.000 2.404 109 G HA2 0.128 4.088 3.960 -0.001 0.000 0.215 109 G HA3 0.128 4.088 3.960 -0.001 0.000 0.215 109 G C 1.942 176.782 174.900 -0.099 0.000 1.174 109 G CA 0.736 45.761 45.100 -0.125 0.000 0.780 109 G HN 0.717 nan 8.290 nan 0.000 0.537 110 A N 1.227 124.060 122.820 0.022 0.000 1.902 110 A HA 0.257 4.577 4.320 -0.001 0.000 0.217 110 A C 2.801 180.425 177.584 0.066 0.000 1.181 110 A CA 2.301 54.386 52.037 0.079 0.000 0.623 110 A CB -0.803 18.239 19.000 0.069 0.000 0.818 110 A HN 0.789 nan 8.150 nan 0.000 0.443 111 A N -0.298 122.551 122.820 0.047 0.000 1.933 111 A HA 0.195 4.514 4.320 -0.001 0.000 0.218 111 A C 2.460 180.082 177.584 0.064 0.000 1.175 111 A CA 1.973 54.054 52.037 0.073 0.000 0.628 111 A CB -0.869 18.171 19.000 0.067 0.000 0.814 111 A HN 0.986 nan 8.150 nan 0.000 0.444 112 A N -0.798 122.020 122.820 -0.005 0.000 1.873 112 A HA -0.147 4.173 4.320 -0.001 0.000 0.215 112 A C 1.941 179.569 177.584 0.073 0.000 1.186 112 A CA 1.619 53.638 52.037 -0.030 0.000 0.616 112 A CB -0.957 17.944 19.000 -0.166 0.000 0.823 112 A HN 0.725 nan 8.150 nan 0.000 0.442 113 H N -1.806 117.311 119.070 0.077 0.000 2.389 113 H HA -0.158 4.398 4.556 -0.001 0.000 0.299 113 H C 2.373 177.758 175.328 0.095 0.000 1.081 113 H CA 1.020 57.118 56.048 0.084 0.000 1.345 113 H CB -0.070 29.726 29.762 0.058 0.000 1.393 113 H HN 0.646 nan 8.280 nan 0.000 0.520 114 C N 1.118 120.552 119.300 0.223 0.000 2.429 114 C HA -0.125 4.334 4.460 -0.001 0.000 0.277 114 C C 2.751 177.861 174.990 0.200 0.000 1.262 114 C CA 1.196 60.352 59.018 0.229 0.000 1.733 114 C CB -0.547 27.267 27.740 0.124 0.000 2.010 114 C HN 0.583 nan 8.230 nan 0.000 0.483 115 E N -0.283 120.018 120.200 0.168 0.000 2.110 115 E HA -0.267 4.082 4.350 -0.001 0.000 0.193 115 E C 1.928 178.633 176.600 0.174 0.000 0.988 115 E CA 1.785 58.257 56.400 0.121 0.000 0.804 115 E CB -0.760 28.998 29.700 0.097 0.000 0.745 115 E HN 0.928 nan 8.360 nan 0.000 0.458 116 H N -0.992 118.149 119.070 0.118 0.000 2.293 116 H HA -0.077 4.479 4.556 -0.001 0.000 0.300 116 H C 1.990 177.384 175.328 0.109 0.000 1.082 116 H CA 1.519 57.655 56.048 0.147 0.000 1.308 116 H CB -0.167 29.698 29.762 0.171 0.000 1.375 116 H HN 0.235 nan 8.280 nan 0.000 0.495 117 G N -0.261 108.668 108.800 0.215 0.000 2.408 117 G HA2 -0.338 3.622 3.960 -0.001 0.000 0.217 117 G HA3 -0.338 3.622 3.960 -0.001 0.000 0.217 117 G C 1.533 176.434 174.900 0.002 0.000 1.150 117 G CA 0.780 45.953 45.100 0.120 0.000 0.776 117 G HN 0.565 nan 8.290 nan 0.000 0.542 118 N N -0.717 117.752 118.700 -0.385 0.000 2.142 118 N HA -0.148 4.591 4.740 -0.001 0.000 0.186 118 N C 1.955 177.354 175.510 -0.186 0.000 1.023 118 N CA 1.023 53.534 53.050 -0.899 0.000 0.852 118 N CB -0.297 37.601 38.487 -0.982 0.000 0.998 118 N HN 0.593 nan 8.380 nan 0.000 0.424 119 H N 0.048 119.056 119.070 -0.103 0.000 2.321 119 H HA -0.047 4.509 4.556 -0.001 0.000 0.300 119 H C 2.061 177.443 175.328 0.089 0.000 1.087 119 H CA 1.450 57.505 56.048 0.013 0.000 1.319 119 H CB 0.116 29.903 29.762 0.042 0.000 1.379 119 H HN 0.240 nan 8.280 nan 0.000 0.501 120 I N 0.509 121.198 120.570 0.200 0.000 2.315 120 I HA -0.196 3.974 4.170 -0.001 0.000 0.248 120 I C 2.839 179.077 176.117 0.202 0.000 1.117 120 I CA 0.731 62.122 61.300 0.152 0.000 1.404 120 I CB -0.343 37.796 38.000 0.232 0.000 1.071 120 I HN 0.356 nan 8.210 nan 0.000 0.419 121 A N 0.445 123.426 122.820 0.269 0.000 1.902 121 A HA -0.304 4.016 4.320 -0.001 0.000 0.217 121 A C 2.200 179.857 177.584 0.122 0.000 1.181 121 A CA 2.113 54.355 52.037 0.340 0.000 0.623 121 A CB -0.978 18.213 19.000 0.317 0.000 0.818 121 A HN 0.529 nan 8.150 nan 0.000 0.443 122 H N 0.033 119.119 119.070 0.026 0.000 2.353 122 H HA 0.022 4.578 4.556 -0.001 0.000 0.300 122 H C 2.108 177.415 175.328 -0.035 0.000 1.090 122 H CA 2.000 58.047 56.048 -0.003 0.000 1.327 122 H CB -0.266 29.502 29.762 0.009 0.000 1.383 122 H HN 0.376 nan 8.280 nan 0.000 0.508 123 A N 0.499 123.269 122.820 -0.083 0.000 1.933 123 A HA -0.101 4.219 4.320 -0.001 0.000 0.218 123 A C 2.404 179.804 177.584 -0.306 0.000 1.175 123 A CA 1.479 53.365 52.037 -0.252 0.000 0.628 123 A CB -0.928 17.905 19.000 -0.277 0.000 0.814 123 A HN 0.488 nan 8.150 nan 0.000 0.444 124 L N -0.083 120.986 121.223 -0.256 0.000 2.046 124 L HA -0.120 4.220 4.340 -0.001 0.000 0.208 124 L C 2.382 179.090 176.870 -0.269 0.000 1.077 124 L CA 1.932 56.584 54.840 -0.313 0.000 0.747 124 L CB -0.466 41.293 42.059 -0.500 0.000 0.896 124 L HN 0.156 nan 8.230 nan 0.000 0.432 125 V N -0.317 119.451 119.914 -0.244 0.000 2.358 125 V HA -0.209 3.911 4.120 -0.001 0.000 0.246 125 V C 2.634 178.605 176.094 -0.205 0.000 1.047 125 V CA 1.700 63.883 62.300 -0.195 0.000 1.035 125 V CB -0.678 31.056 31.823 -0.148 0.000 0.658 125 V HN 0.446 nan 8.190 nan 0.000 0.452 126 E N -0.369 119.653 120.200 -0.296 0.000 2.058 126 E HA -0.256 4.093 4.350 -0.001 0.000 0.194 126 E C 2.156 178.665 176.600 -0.152 0.000 0.997 126 E CA 1.466 57.718 56.400 -0.247 0.000 0.801 126 E CB -0.466 29.041 29.700 -0.321 0.000 0.746 126 E HN 0.440 nan 8.360 nan 0.000 0.450 127 M N 0.900 120.403 119.600 -0.160 0.000 2.065 127 M HA -0.133 4.346 4.480 -0.001 0.000 0.259 127 M C 2.167 178.421 176.300 -0.077 0.000 1.069 127 M CA 1.979 57.226 55.300 -0.089 0.000 1.110 127 M CB -0.727 31.814 32.600 -0.098 0.000 1.328 127 M HN 0.029 nan 8.290 nan 0.000 0.405 128 A N 0.053 122.809 122.820 -0.106 0.000 2.024 128 A HA -0.165 4.154 4.320 -0.001 0.000 0.220 128 A C 1.679 179.225 177.584 -0.063 0.000 1.164 128 A CA 1.688 53.674 52.037 -0.085 0.000 0.643 128 A CB -0.745 18.194 19.000 -0.101 0.000 0.806 128 A HN 0.762 nan 8.150 nan 0.000 0.451 129 E N -1.198 118.962 120.200 -0.068 0.000 2.437 129 E HA 0.304 4.653 4.350 -0.001 0.000 0.189 129 E C 0.892 177.470 176.600 -0.036 0.000 1.054 129 E CA 0.142 56.513 56.400 -0.049 0.000 0.874 129 E CB -0.146 29.522 29.700 -0.053 0.000 1.011 129 E HN 0.687 nan 8.360 nan 0.000 0.474 130 G N 2.382 111.162 108.800 -0.034 0.000 2.176 130 G HA2 -0.339 3.621 3.960 -0.001 0.000 0.252 130 G HA3 -0.339 3.621 3.960 -0.001 0.000 0.252 130 G C 0.632 175.523 174.900 -0.015 0.000 1.024 130 G CA 0.580 45.668 45.100 -0.019 0.000 0.755 130 G HN 0.284 nan 8.290 nan 0.000 0.507 131 K N -0.475 119.911 120.400 -0.024 0.000 2.358 131 K HA 0.566 4.886 4.320 -0.001 0.000 0.200 131 K C 0.913 177.513 176.600 -0.000 0.000 1.030 131 K CA 0.594 56.871 56.287 -0.017 0.000 1.097 131 K CB 1.073 33.553 32.500 -0.033 0.000 0.862 131 K HN 0.707 nan 8.250 nan 0.000 0.534 132 A N 1.948 124.781 122.820 0.022 0.000 3.266 132 A HA 0.246 4.566 4.320 -0.001 0.000 0.310 132 A C -2.158 175.514 177.584 0.147 0.000 1.066 132 A CA -0.900 51.199 52.037 0.102 0.000 0.839 132 A CB 0.382 19.433 19.000 0.085 0.000 1.192 132 A HN -0.083 nan 8.150 nan 0.000 0.496 133 P HA -0.181 nan 4.420 nan 0.000 0.220 133 P C 0.205 177.512 177.300 0.012 0.000 1.144 133 P CA 1.166 64.288 63.100 0.037 0.000 0.800 133 P CB 0.258 31.965 31.700 0.011 0.000 0.772 134 D N -1.715 118.676 120.400 -0.014 0.000 2.363 134 D HA 0.001 4.641 4.640 -0.001 0.000 0.226 134 D C 0.471 176.552 176.300 -0.364 0.000 1.020 134 D CA 0.705 54.583 54.000 -0.203 0.000 0.892 134 D CB -0.151 40.462 40.800 -0.313 0.000 0.900 134 D HN 0.301 nan 8.370 nan 0.000 0.531 135 Y N -0.150 120.159 120.300 0.015 0.000 2.621 135 Y HA 0.456 5.006 4.550 -0.001 0.000 0.334 135 Y C 0.807 176.681 175.900 -0.042 0.000 1.074 135 Y CA -0.873 57.228 58.100 0.002 0.000 1.149 135 Y CB 1.866 40.312 38.460 -0.025 0.000 1.302 135 Y HN -0.227 nan 8.280 nan 0.000 0.501 136 S N -1.662 114.090 115.700 0.087 0.000 2.656 136 S HA 0.481 4.950 4.470 -0.001 0.000 0.265 136 S C -2.116 172.454 174.600 -0.050 0.000 1.132 136 S CA -1.132 57.071 58.200 0.006 0.000 0.819 136 S CB 0.537 63.739 63.200 0.004 0.000 1.119 136 S HN 0.356 nan 8.310 nan 0.000 0.476 137 V N 2.428 122.311 119.914 -0.052 0.000 2.372 137 V HA 0.358 4.478 4.120 -0.001 0.000 0.261 137 V C 0.905 176.977 176.094 -0.036 0.000 1.055 137 V CA -0.176 62.085 62.300 -0.065 0.000 0.930 137 V CB 0.446 32.236 31.823 -0.056 0.000 1.031 137 V HN 0.901 nan 8.190 nan 0.000 0.479 138 K N 1.931 122.310 120.400 -0.036 0.000 2.356 138 K HA 0.106 4.426 4.320 -0.001 0.000 0.195 138 K C 0.293 176.899 176.600 0.010 0.000 1.037 138 K CA 0.258 56.545 56.287 0.000 0.000 1.014 138 K CB 0.423 32.940 32.500 0.029 0.000 0.815 138 K HN 0.546 nan 8.250 nan 0.000 0.507 139 D N 1.058 121.460 120.400 0.004 0.000 2.400 139 D HA 0.082 4.722 4.640 -0.001 0.000 0.272 139 D C 0.102 176.412 176.300 0.017 0.000 1.220 139 D CA -0.008 54.005 54.000 0.020 0.000 0.897 139 D CB 0.718 41.541 40.800 0.038 0.000 1.134 139 D HN -0.020 nan 8.370 nan 0.000 0.507 140 E N 1.062 121.268 120.200 0.011 0.000 2.110 140 E HA -0.170 4.179 4.350 -0.001 0.000 0.193 140 E C 1.839 178.451 176.600 0.019 0.000 0.988 140 E CA 1.107 57.512 56.400 0.009 0.000 0.804 140 E CB 0.289 29.991 29.700 0.005 0.000 0.745 140 E HN 0.509 nan 8.360 nan 0.000 0.458 141 A N 1.515 124.350 122.820 0.025 0.000 1.902 141 A HA -0.242 4.078 4.320 -0.001 0.000 0.217 141 A C 2.071 179.681 177.584 0.042 0.000 1.181 141 A CA 1.816 53.871 52.037 0.030 0.000 0.623 141 A CB -0.317 18.701 19.000 0.031 0.000 0.818 141 A HN 0.023 nan 8.150 nan 0.000 0.443 142 K N -0.386 120.045 120.400 0.052 0.000 2.057 142 K HA -0.105 4.215 4.320 -0.001 0.000 0.207 142 K C 1.786 178.437 176.600 0.085 0.000 1.049 142 K CA 1.461 57.793 56.287 0.075 0.000 0.931 142 K CB -0.506 32.047 32.500 0.087 0.000 0.714 142 K HN 0.338 nan 8.250 nan 0.000 0.440 143 L N 1.279 122.541 121.223 0.064 0.000 1.989 143 L HA -0.176 4.164 4.340 -0.001 0.000 0.211 143 L C 1.658 178.563 176.870 0.058 0.000 1.071 143 L CA 1.969 56.846 54.840 0.061 0.000 0.749 143 L CB -0.481 41.587 42.059 0.016 0.000 0.890 143 L HN 0.120 nan 8.230 nan 0.000 0.431 144 K N -0.778 119.645 120.400 0.038 0.000 2.148 144 K HA -0.201 4.118 4.320 -0.001 0.000 0.204 144 K C 2.047 178.664 176.600 0.028 0.000 1.050 144 K CA 1.271 57.574 56.287 0.028 0.000 0.942 144 K CB -0.127 32.384 32.500 0.018 0.000 0.724 144 K HN 0.332 nan 8.250 nan 0.000 0.446 145 E N 1.087 121.310 120.200 0.038 0.000 2.072 145 E HA -0.123 4.227 4.350 -0.001 0.000 0.191 145 E C 1.782 178.397 176.600 0.026 0.000 0.985 145 E CA 1.079 57.498 56.400 0.031 0.000 0.801 145 E CB -0.111 29.615 29.700 0.045 0.000 0.750 145 E HN -0.015 nan 8.360 nan 0.000 0.452 146 V N -0.057 119.897 119.914 0.066 0.000 2.358 146 V HA -0.304 3.816 4.120 -0.001 0.000 0.246 146 V C 2.576 178.680 176.094 0.017 0.000 1.047 146 V CA 1.680 64.024 62.300 0.073 0.000 1.035 146 V CB -0.570 31.396 31.823 0.239 0.000 0.658 146 V HN 0.455 nan 8.190 nan 0.000 0.452 147 C N -0.541 118.788 119.300 0.049 0.000 2.413 147 C HA -0.164 4.295 4.460 -0.001 0.000 0.276 147 C C 2.933 177.906 174.990 -0.029 0.000 1.248 147 C CA 1.352 60.384 59.018 0.024 0.000 1.742 147 C CB -1.137 26.622 27.740 0.033 0.000 2.017 147 C HN 0.516 nan 8.230 nan 0.000 0.481 148 R N 0.702 121.186 120.500 -0.026 0.000 2.073 148 R HA -0.139 4.201 4.340 -0.001 0.000 0.234 148 R C 2.491 178.744 176.300 -0.079 0.000 1.134 148 R CA 1.490 57.566 56.100 -0.041 0.000 0.952 148 R CB -0.439 29.845 30.300 -0.025 0.000 0.850 148 R HN 0.500 nan 8.270 nan 0.000 0.433 149 R N 0.010 120.447 120.500 -0.104 0.000 2.120 149 R HA -0.078 4.262 4.340 -0.001 0.000 0.234 149 R C 1.653 177.809 176.300 -0.240 0.000 1.123 149 R CA 1.312 57.314 56.100 -0.164 0.000 0.975 149 R CB 0.074 30.260 30.300 -0.190 0.000 0.866 149 R HN 0.126 nan 8.270 nan 0.000 0.446 150 V N -0.127 119.622 119.914 -0.276 0.000 3.649 150 V HA 0.160 4.280 4.120 -0.001 0.000 0.275 150 V C 1.055 177.043 176.094 -0.176 0.000 1.281 150 V CA 0.907 63.005 62.300 -0.336 0.000 1.143 150 V CB 0.441 31.965 31.823 -0.499 0.000 0.892 150 V HN 0.706 nan 8.190 nan 0.000 0.441 151 G N 0.782 109.511 108.800 -0.118 0.000 2.141 151 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.242 151 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.242 151 G C 0.095 174.971 174.900 -0.040 0.000 0.982 151 G CA -0.012 45.045 45.100 -0.070 0.000 0.662 151 G HN 0.480 nan 8.290 nan 0.000 0.527 152 I N 1.144 121.694 120.570 -0.032 0.000 2.416 152 I HA 0.202 4.372 4.170 -0.001 0.000 0.288 152 I C 0.634 176.747 176.117 -0.006 0.000 1.051 152 I CA -0.610 60.687 61.300 -0.005 0.000 1.375 152 I CB 1.124 39.134 38.000 0.016 0.000 1.407 152 I HN -0.017 nan 8.210 nan 0.000 0.516 153 E N 5.926 126.124 120.200 -0.002 0.000 2.265 153 E HA 0.050 4.400 4.350 -0.001 0.000 0.272 153 E C 0.547 177.148 176.600 0.001 0.000 1.067 153 E CA 0.077 56.475 56.400 -0.003 0.000 0.900 153 E CB 1.326 31.025 29.700 -0.002 0.000 1.017 153 E HN 0.435 nan 8.360 nan 0.000 0.431 154 V N 4.433 124.347 119.914 -0.001 0.000 2.591 154 V HA -0.108 4.011 4.120 -0.001 0.000 0.249 154 V C 0.670 176.764 176.094 0.001 0.000 1.053 154 V CA 0.881 63.181 62.300 0.002 0.000 1.068 154 V CB -0.262 31.562 31.823 0.002 0.000 0.689 154 V HN 0.578 nan 8.190 nan 0.000 0.462 155 E N 0.471 120.671 120.200 -0.000 0.000 2.480 155 E HA 0.296 4.646 4.350 -0.001 0.000 0.258 155 E C 1.199 177.799 176.600 -0.000 0.000 0.984 155 E CA 0.756 57.156 56.400 -0.000 0.000 0.930 155 E CB 0.240 29.939 29.700 -0.001 0.000 0.936 155 E HN 0.464 nan 8.360 nan 0.000 0.466 156 G N 3.156 111.956 108.800 -0.000 0.000 2.143 156 G HA2 -0.307 3.653 3.960 -0.001 0.000 0.249 156 G HA3 -0.307 3.653 3.960 -0.001 0.000 0.249 156 G C -0.083 174.816 174.900 -0.001 0.000 0.981 156 G CA 0.220 45.319 45.100 -0.001 0.000 0.665 156 G HN 0.426 nan 8.290 nan 0.000 0.528 157 K N 0.454 120.853 120.400 -0.001 0.000 2.328 157 K HA 0.654 4.974 4.320 -0.001 0.000 0.246 157 K C 0.577 177.174 176.600 -0.004 0.000 0.955 157 K CA -0.152 56.134 56.287 -0.002 0.000 0.817 157 K CB 1.812 34.311 32.500 -0.001 0.000 1.208 157 K HN 0.349 nan 8.250 nan 0.000 0.432 158 S N -0.280 115.416 115.700 -0.007 0.000 2.614 158 S HA 0.048 4.518 4.470 -0.001 0.000 0.265 158 S C 1.481 176.073 174.600 -0.012 0.000 1.303 158 S CA -0.569 57.626 58.200 -0.009 0.000 1.000 158 S CB 1.007 64.200 63.200 -0.011 0.000 0.935 158 S HN 0.509 nan 8.310 nan 0.000 0.551 159 V N 0.171 120.076 119.914 -0.015 0.000 2.407 159 V HA -0.130 3.989 4.120 -0.001 0.000 0.248 159 V C 2.052 178.127 176.094 -0.031 0.000 1.055 159 V CA 1.467 63.755 62.300 -0.020 0.000 1.049 159 V CB -1.433 30.378 31.823 -0.020 0.000 0.662 159 V HN 0.843 nan 8.190 nan 0.000 0.455 160 L N 0.046 121.250 121.223 -0.031 0.000 2.083 160 L HA -0.155 4.184 4.340 -0.001 0.000 0.209 160 L C 2.910 179.757 176.870 -0.039 0.000 1.083 160 L CA 2.265 57.081 54.840 -0.040 0.000 0.752 160 L CB -0.750 41.289 42.059 -0.033 0.000 0.899 160 L HN 0.398 nan 8.230 nan 0.000 0.433 161 E N 0.173 120.358 120.200 -0.026 0.000 2.110 161 E HA -0.199 4.150 4.350 -0.001 0.000 0.193 161 E C 2.353 178.941 176.600 -0.019 0.000 0.988 161 E CA 0.967 57.355 56.400 -0.020 0.000 0.804 161 E CB -0.069 29.624 29.700 -0.011 0.000 0.745 161 E HN 0.458 nan 8.360 nan 0.000 0.458 162 L N 0.440 121.652 121.223 -0.019 0.000 2.056 162 L HA -0.137 4.203 4.340 -0.001 0.000 0.207 162 L C 2.601 179.451 176.870 -0.033 0.000 1.078 162 L CA 0.897 55.729 54.840 -0.013 0.000 0.749 162 L CB -0.471 41.584 42.059 -0.008 0.000 0.901 162 L HN 0.149 nan 8.230 nan 0.000 0.433 163 A N -0.248 122.532 122.820 -0.066 0.000 1.902 163 A HA -0.298 4.021 4.320 -0.001 0.000 0.217 163 A C 2.259 179.761 177.584 -0.136 0.000 1.181 163 A CA 2.000 53.958 52.037 -0.132 0.000 0.623 163 A CB -0.592 18.322 19.000 -0.144 0.000 0.818 163 A HN 0.508 nan 8.150 nan 0.000 0.443 164 Q N -0.574 119.175 119.800 -0.085 0.000 2.079 164 Q HA -0.211 4.129 4.340 -0.001 0.000 0.200 164 Q C 2.039 178.024 176.000 -0.025 0.000 0.974 164 Q CA 1.812 57.576 55.803 -0.065 0.000 0.840 164 Q CB -0.186 28.526 28.738 -0.044 0.000 0.898 164 Q HN 0.773 nan 8.270 nan 0.000 0.430 165 E N -0.560 119.639 120.200 -0.002 0.000 2.072 165 E HA -0.162 4.187 4.350 -0.001 0.000 0.191 165 E C 1.978 178.633 176.600 0.093 0.000 0.985 165 E CA 1.558 57.982 56.400 0.040 0.000 0.801 165 E CB 0.138 29.860 29.700 0.036 0.000 0.750 165 E HN 0.444 nan 8.360 nan 0.000 0.452 166 V N -1.358 118.614 119.914 0.096 0.000 2.427 166 V HA -0.041 4.078 4.120 -0.001 0.000 0.248 166 V C 2.300 178.562 176.094 0.280 0.000 1.051 166 V CA 1.661 64.114 62.300 0.255 0.000 1.048 166 V CB -1.406 30.583 31.823 0.277 0.000 0.666 166 V HN 0.292 nan 8.190 nan 0.000 0.456 167 G N 0.525 109.328 108.800 0.005 0.000 2.459 167 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.217 167 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.217 167 G C 1.450 176.435 174.900 0.141 0.000 1.183 167 G CA 1.037 46.128 45.100 -0.015 0.000 0.776 167 G HN 0.617 nan 8.290 nan 0.000 0.552 168 E N 0.147 120.411 120.200 0.106 0.000 2.110 168 E HA -0.121 4.229 4.350 -0.001 0.000 0.193 168 E C 2.364 179.070 176.600 0.176 0.000 0.988 168 E CA 1.119 57.592 56.400 0.122 0.000 0.804 168 E CB -0.056 29.695 29.700 0.085 0.000 0.745 168 E HN 0.335 nan 8.360 nan 0.000 0.458 169 K N 1.244 121.785 120.400 0.234 0.000 2.057 169 K HA -0.118 4.202 4.320 -0.001 0.000 0.207 169 K C 1.914 178.728 176.600 0.355 0.000 1.049 169 K CA 1.343 57.820 56.287 0.317 0.000 0.931 169 K CB -0.268 32.486 32.500 0.424 0.000 0.714 169 K HN 0.110 nan 8.250 nan 0.000 0.440 170 A N 0.577 123.539 122.820 0.235 0.000 1.873 170 A HA -0.079 4.241 4.320 -0.001 0.000 0.215 170 A C 2.145 179.809 177.584 0.133 0.000 1.186 170 A CA 1.433 53.373 52.037 -0.161 0.000 0.616 170 A CB -0.705 18.096 19.000 -0.333 0.000 0.823 170 A HN 0.309 nan 8.150 nan 0.000 0.442 171 L N -0.572 120.806 121.223 0.259 0.000 2.127 171 L HA -0.239 4.100 4.340 -0.001 0.000 0.211 171 L C 2.505 179.540 176.870 0.275 0.000 1.089 171 L CA 1.627 56.668 54.840 0.334 0.000 0.757 171 L CB -0.649 41.536 42.059 0.211 0.000 0.899 171 L HN 0.499 nan 8.230 nan 0.000 0.434 172 E N -0.083 120.231 120.200 0.190 0.000 2.153 172 E HA -0.228 4.122 4.350 -0.001 0.000 0.194 172 E C 1.574 178.238 176.600 0.106 0.000 0.988 172 E CA 1.139 57.628 56.400 0.148 0.000 0.811 172 E CB -0.002 29.780 29.700 0.138 0.000 0.746 172 E HN 0.431 nan 8.360 nan 0.000 0.466 173 D N -0.480 119.938 120.400 0.029 0.000 2.264 173 D HA -0.095 4.545 4.640 -0.001 0.000 0.208 173 D C 1.211 177.349 176.300 -0.271 0.000 0.966 173 D CA 0.758 54.669 54.000 -0.148 0.000 0.864 173 D CB -0.025 40.597 40.800 -0.296 0.000 0.933 173 D HN 0.163 nan 8.370 nan 0.000 0.499 174 F N 0.150 120.091 119.950 -0.016 0.000 2.569 174 F HA 0.164 4.691 4.527 -0.001 0.000 0.295 174 F C 2.311 178.193 175.800 0.136 0.000 1.115 174 F CA 0.379 58.368 58.000 -0.018 0.000 1.450 174 F CB 0.225 39.238 39.000 0.022 0.000 1.107 174 F HN -0.179 nan 8.300 nan 0.000 0.563 175 R N -0.078 120.588 120.500 0.277 0.000 2.189 175 R HA 0.092 4.431 4.340 -0.001 0.000 0.203 175 R C 0.947 177.354 176.300 0.179 0.000 1.012 175 R CA -0.190 56.044 56.100 0.224 0.000 1.015 175 R CB -0.114 30.290 30.300 0.175 0.000 0.938 175 R HN 0.068 nan 8.270 nan 0.000 0.472 176 R N 1.864 122.458 120.500 0.156 0.000 2.566 176 R HA -0.015 4.325 4.340 -0.001 0.000 0.273 176 R C -0.300 176.142 176.300 0.237 0.000 0.981 176 R CA 0.318 56.516 56.100 0.164 0.000 1.091 176 R CB 0.309 30.699 30.300 0.150 0.000 0.924 176 R HN 0.020 nan 8.270 nan 0.000 0.411 177 L N 3.076 124.400 121.223 0.168 0.000 2.400 177 L HA 0.359 4.699 4.340 -0.001 0.000 0.264 177 L C 0.421 177.222 176.870 -0.115 0.000 1.061 177 L CA -0.904 54.002 54.840 0.110 0.000 0.799 177 L CB 0.861 42.936 42.059 0.026 0.000 1.240 177 L HN 0.585 nan 8.230 nan 0.000 0.461 178 K N 0.364 120.435 120.400 -0.547 0.000 2.484 178 K HA 0.110 4.429 4.320 -0.001 0.000 0.280 178 K C 0.882 177.162 176.600 -0.533 0.000 1.013 178 K CA 1.050 56.586 56.287 -1.251 0.000 1.029 178 K CB 0.170 32.118 32.500 -0.920 0.000 0.902 178 K HN 0.798 nan 8.250 nan 0.000 0.481 179 G N 3.391 111.935 108.800 -0.427 0.000 2.179 179 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.260 179 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.260 179 G C 0.337 175.195 174.900 -0.069 0.000 0.977 179 G CA 0.592 45.593 45.100 -0.165 0.000 0.641 179 G HN 0.805 nan 8.290 nan 0.000 0.533 180 E N 0.257 120.430 120.200 -0.045 0.000 2.463 180 E HA 0.449 4.799 4.350 -0.001 0.000 0.193 180 E C 1.297 177.930 176.600 0.054 0.000 1.041 180 E CA 0.369 56.777 56.400 0.015 0.000 0.879 180 E CB 0.513 30.231 29.700 0.029 0.000 0.997 180 E HN 1.274 nan 8.360 nan 0.000 0.478 181 G N 1.207 110.055 108.800 0.079 0.000 2.302 181 G HA2 -0.067 3.893 3.960 -0.001 0.000 0.276 181 G HA3 -0.067 3.893 3.960 -0.001 0.000 0.276 181 G C -1.592 173.385 174.900 0.129 0.000 1.316 181 G CA -1.030 44.124 45.100 0.090 0.000 0.988 181 G HN 0.074 nan 8.290 nan 0.000 0.479 182 E N -0.347 119.908 120.200 0.092 0.000 2.244 182 E HA 0.619 4.969 4.350 -0.001 0.000 0.266 182 E C 0.122 176.748 176.600 0.044 0.000 0.914 182 E CA -0.555 55.892 56.400 0.077 0.000 0.794 182 E CB 2.277 32.014 29.700 0.061 0.000 1.210 182 E HN 1.013 nan 8.360 nan 0.000 0.414 183 A N 1.778 124.603 122.820 0.008 0.000 2.491 183 A HA 0.097 4.416 4.320 -0.001 0.000 0.261 183 A C 1.025 178.610 177.584 0.002 0.000 1.101 183 A CA -0.082 51.942 52.037 -0.022 0.000 0.772 183 A CB -0.039 18.903 19.000 -0.096 0.000 1.043 183 A HN 0.692 nan 8.150 nan 0.000 0.501 184 T N 2.567 117.147 114.554 0.043 0.000 2.652 184 T HA -0.165 4.185 4.350 -0.001 0.000 0.267 184 T C 1.379 176.019 174.700 -0.099 0.000 1.039 184 T CA 1.418 63.512 62.100 -0.009 0.000 1.153 184 T CB -0.166 68.729 68.868 0.044 0.000 0.863 184 T HN 0.809 nan 8.240 nan 0.000 0.428 185 W N 0.980 122.150 121.300 -0.218 0.000 2.538 185 W HA 0.048 4.708 4.660 -0.001 0.000 0.254 185 W C 1.931 178.268 176.519 -0.303 0.000 1.249 185 W CA 0.112 57.273 57.345 -0.307 0.000 1.253 185 W CB -0.276 28.953 29.460 -0.385 0.000 1.130 185 W HN 0.264 nan 8.180 nan 0.000 0.618 186 L N 0.003 121.205 121.223 -0.034 0.000 2.185 186 L HA -0.060 4.280 4.340 -0.001 0.000 0.198 186 L C 2.220 179.095 176.870 0.009 0.000 1.079 186 L CA 1.545 56.406 54.840 0.036 0.000 0.780 186 L CB -1.069 41.011 42.059 0.035 0.000 0.955 186 L HN -0.313 nan 8.230 nan 0.000 0.462 187 M N -0.111 119.475 119.600 -0.023 0.000 2.279 187 M HA -0.071 4.408 4.480 -0.001 0.000 0.264 187 M C 2.021 178.261 176.300 -0.099 0.000 1.062 187 M CA 1.822 57.101 55.300 -0.036 0.000 1.099 187 M CB -2.019 30.565 32.600 -0.026 0.000 1.394 187 M HN 0.586 nan 8.290 nan 0.000 0.426 188 T N -3.371 111.075 114.554 -0.180 0.000 3.129 188 T HA 0.052 4.402 4.350 -0.001 0.000 0.251 188 T C 1.337 175.891 174.700 -0.242 0.000 1.117 188 T CA 1.032 62.991 62.100 -0.236 0.000 1.034 188 T CB -0.621 68.031 68.868 -0.360 0.000 0.968 188 T HN 0.461 nan 8.240 nan 0.000 0.526 189 T N 0.014 114.441 114.554 -0.212 0.000 3.040 189 T HA 0.465 4.814 4.350 -0.001 0.000 0.266 189 T C 0.501 175.168 174.700 -0.056 0.000 1.005 189 T CA -0.736 61.259 62.100 -0.175 0.000 0.906 189 T CB -0.581 68.094 68.868 -0.321 0.000 1.082 189 T HN 0.699 nan 8.240 nan 0.000 0.531 190 I N -0.627 119.905 120.570 -0.063 0.000 3.067 190 I HA 0.683 4.853 4.170 -0.001 0.000 0.312 190 I C -0.574 175.488 176.117 -0.091 0.000 1.073 190 I CA -1.553 59.701 61.300 -0.076 0.000 1.016 190 I CB 1.618 39.570 38.000 -0.080 0.000 1.227 190 I HN -0.030 nan 8.210 nan 0.000 0.456 191 N N 1.873 120.508 118.700 -0.108 0.000 2.347 191 N HA 0.091 4.831 4.740 -0.001 0.000 0.253 191 N C 0.421 175.862 175.510 -0.116 0.000 1.274 191 N CA -0.203 52.787 53.050 -0.100 0.000 0.941 191 N CB 0.466 38.896 38.487 -0.095 0.000 1.200 191 N HN 0.664 nan 8.380 nan 0.000 0.514 192 E N 0.147 120.291 120.200 -0.093 0.000 2.110 192 E HA -0.109 4.241 4.350 -0.001 0.000 0.193 192 E C 1.742 178.273 176.600 -0.116 0.000 0.988 192 E CA 1.526 57.872 56.400 -0.090 0.000 0.804 192 E CB -0.916 28.745 29.700 -0.064 0.000 0.745 192 E HN 0.856 nan 8.360 nan 0.000 0.458 193 G N 1.910 110.639 108.800 -0.118 0.000 2.459 193 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.217 193 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.217 193 G C 1.673 176.429 174.900 -0.240 0.000 1.183 193 G CA 0.495 45.517 45.100 -0.129 0.000 0.776 193 G HN 0.111 nan 8.290 nan 0.000 0.552 194 R N 0.576 120.873 120.500 -0.339 0.000 2.092 194 R HA 0.045 4.385 4.340 -0.001 0.000 0.231 194 R C 2.533 178.378 176.300 -0.759 0.000 1.119 194 R CA 1.013 56.698 56.100 -0.692 0.000 0.970 194 R CB -0.545 29.372 30.300 -0.638 0.000 0.864 194 R HN 0.393 nan 8.270 nan 0.000 0.440 195 K N 0.590 120.780 120.400 -0.350 0.000 2.057 195 K HA -0.112 4.208 4.320 -0.001 0.000 0.207 195 K C 2.014 178.542 176.600 -0.121 0.000 1.049 195 K CA 1.064 57.250 56.287 -0.168 0.000 0.931 195 K CB 0.023 32.471 32.500 -0.086 0.000 0.714 195 K HN 0.133 nan 8.250 nan 0.000 0.440 196 E N 0.947 121.069 120.200 -0.131 0.000 2.051 196 E HA -0.216 4.133 4.350 -0.001 0.000 0.192 196 E C 1.996 178.561 176.600 -0.059 0.000 0.991 196 E CA 1.179 57.539 56.400 -0.066 0.000 0.799 196 E CB -0.013 29.650 29.700 -0.061 0.000 0.748 196 E HN 0.079 nan 8.360 nan 0.000 0.449 197 K N 0.790 121.074 120.400 -0.193 0.000 2.009 197 K HA -0.119 4.201 4.320 -0.001 0.000 0.210 197 K C 1.966 178.553 176.600 -0.022 0.000 1.049 197 K CA 1.447 57.591 56.287 -0.240 0.000 0.929 197 K CB -0.633 31.617 32.500 -0.417 0.000 0.714 197 K HN 0.105 nan 8.250 nan 0.000 0.440 198 F N 0.410 120.352 119.950 -0.013 0.000 2.234 198 F HA -0.115 4.411 4.527 -0.001 0.000 0.299 198 F C 2.291 178.143 175.800 0.086 0.000 1.087 198 F CA 0.505 58.527 58.000 0.036 0.000 1.340 198 F CB -0.061 38.938 39.000 -0.002 0.000 1.031 198 F HN 0.001 nan 8.300 nan 0.000 0.500 199 R N 0.264 120.906 120.500 0.237 0.000 2.062 199 R HA -0.095 4.244 4.340 -0.001 0.000 0.229 199 R C 2.353 178.766 176.300 0.188 0.000 1.128 199 R CA 1.928 58.135 56.100 0.179 0.000 0.960 199 R CB -1.143 29.223 30.300 0.111 0.000 0.855 199 R HN 0.311 nan 8.270 nan 0.000 0.432 200 T N -1.550 113.128 114.554 0.207 0.000 2.881 200 T HA -0.125 4.225 4.350 -0.001 0.000 0.270 200 T C 1.289 176.138 174.700 0.249 0.000 1.068 200 T CA 1.283 63.511 62.100 0.213 0.000 1.131 200 T CB -0.271 68.733 68.868 0.228 0.000 0.871 200 T HN 0.281 nan 8.240 nan 0.000 0.479 201 H N 0.903 120.056 119.070 0.139 0.000 2.539 201 H HA 0.354 4.910 4.556 -0.001 0.000 0.269 201 H C 1.004 176.478 175.328 0.243 0.000 0.980 201 H CA -0.364 55.800 56.048 0.194 0.000 1.152 201 H CB -0.347 29.473 29.762 0.096 0.000 1.407 201 H HN 0.375 nan 8.280 nan 0.000 0.564 202 N N 0.261 119.137 118.700 0.293 0.000 2.725 202 N HA -0.173 4.567 4.740 -0.001 0.000 0.251 202 N C 0.168 175.818 175.510 0.232 0.000 1.031 202 N CA 0.830 54.024 53.050 0.240 0.000 0.720 202 N CB -1.144 37.469 38.487 0.211 0.000 0.930 202 N HN 0.292 nan 8.380 nan 0.000 0.543 203 V N -3.171 116.851 119.914 0.181 0.000 3.276 203 V HA 0.421 4.540 4.120 -0.001 0.000 0.319 203 V C 0.737 176.787 176.094 -0.073 0.000 1.427 203 V CA -0.263 62.062 62.300 0.042 0.000 1.102 203 V CB 0.615 32.387 31.823 -0.085 0.000 1.020 203 V HN 0.072 nan 8.190 nan 0.000 0.456 204 V N 4.955 124.891 119.914 0.036 0.000 2.485 204 V HA 0.227 4.346 4.120 -0.001 0.000 0.287 204 V C -1.689 174.373 176.094 -0.054 0.000 1.022 204 V CA -0.826 61.475 62.300 0.002 0.000 1.067 204 V CB 0.640 32.527 31.823 0.106 0.000 0.967 204 V HN 0.438 nan 8.190 nan 0.000 0.479 205 P HA 0.151 nan 4.420 nan 0.000 0.276 205 P C 0.179 177.321 177.300 -0.264 0.000 1.230 205 P CA -0.141 62.733 63.100 -0.377 0.000 0.776 205 P CB 0.734 32.215 31.700 -0.365 0.000 0.888 206 F N 1.616 121.558 119.950 -0.013 0.000 2.104 206 F HA 0.349 4.876 4.527 -0.001 0.000 0.288 206 F C 1.331 177.120 175.800 -0.019 0.000 1.107 206 F CA 0.367 58.366 58.000 -0.003 0.000 1.208 206 F CB -1.277 37.732 39.000 0.016 0.000 1.033 206 F HN 0.302 nan 8.300 nan 0.000 0.478 207 G N -0.453 108.355 108.800 0.013 0.000 2.519 207 G HA2 0.550 4.510 3.960 -0.001 0.000 0.307 207 G HA3 0.550 4.510 3.960 -0.001 0.000 0.307 207 G C 0.163 174.953 174.900 -0.184 0.000 1.266 207 G CA -0.671 44.431 45.100 0.003 0.000 0.970 207 G HN 0.198 nan 8.290 nan 0.000 0.481 208 I N 0.201 120.633 120.570 -0.230 0.000 2.133 208 I HA -0.129 4.041 4.170 -0.001 0.000 0.238 208 I C 2.379 178.400 176.117 -0.160 0.000 1.074 208 I CA 0.763 61.889 61.300 -0.291 0.000 1.342 208 I CB -0.197 37.519 38.000 -0.472 0.000 1.053 208 I HN 0.508 nan 8.210 nan 0.000 0.404 209 H N 0.812 119.936 119.070 0.090 0.000 2.353 209 H HA -0.077 4.479 4.556 -0.001 0.000 0.300 209 H C 2.338 177.720 175.328 0.090 0.000 1.090 209 H CA 1.649 57.759 56.048 0.103 0.000 1.327 209 H CB -0.349 29.489 29.762 0.127 0.000 1.383 209 H HN 0.369 nan 8.280 nan 0.000 0.508 210 A N 0.523 123.484 122.820 0.236 0.000 1.969 210 A HA -0.125 4.195 4.320 -0.001 0.000 0.218 210 A C 2.693 180.427 177.584 0.250 0.000 1.169 210 A CA 1.555 53.768 52.037 0.293 0.000 0.635 210 A CB -0.419 18.852 19.000 0.452 0.000 0.810 210 A HN 0.309 nan 8.150 nan 0.000 0.445 211 S N -0.222 115.430 115.700 -0.079 0.000 2.368 211 S HA -0.062 4.408 4.470 -0.001 0.000 0.224 211 S C 1.796 176.373 174.600 -0.039 0.000 1.029 211 S CA 1.281 59.308 58.200 -0.287 0.000 0.988 211 S CB -0.421 62.456 63.200 -0.539 0.000 0.838 211 S HN 0.555 nan 8.310 nan 0.000 0.462 212 I N 0.965 121.538 120.570 0.004 0.000 2.179 212 I HA -0.183 3.986 4.170 -0.001 0.000 0.242 212 I C 2.694 178.871 176.117 0.100 0.000 1.088 212 I CA 1.169 62.504 61.300 0.057 0.000 1.357 212 I CB -0.414 37.636 38.000 0.083 0.000 1.051 212 I HN 0.293 nan 8.210 nan 0.000 0.409 213 S N 0.408 116.184 115.700 0.127 0.000 2.370 213 S HA -0.273 4.197 4.470 -0.001 0.000 0.226 213 S C 1.981 176.665 174.600 0.140 0.000 1.033 213 S CA 2.011 60.291 58.200 0.133 0.000 1.011 213 S CB -0.234 63.050 63.200 0.140 0.000 0.852 213 S HN 0.443 nan 8.310 nan 0.000 0.457 214 E N 0.702 121.004 120.200 0.171 0.000 2.085 214 E HA -0.132 4.218 4.350 -0.001 0.000 0.194 214 E C 1.877 178.565 176.600 0.147 0.000 0.994 214 E CA 1.343 57.853 56.400 0.182 0.000 0.801 214 E CB -0.586 29.285 29.700 0.286 0.000 0.743 214 E HN 0.492 nan 8.360 nan 0.000 0.453 215 L N -0.406 120.895 121.223 0.130 0.000 2.109 215 L HA -0.034 4.306 4.340 -0.001 0.000 0.207 215 L C 2.180 179.131 176.870 0.135 0.000 1.086 215 L CA 1.233 56.145 54.840 0.120 0.000 0.760 215 L CB -0.482 41.637 42.059 0.101 0.000 0.910 215 L HN 0.112 nan 8.230 nan 0.000 0.437 216 V N 0.836 120.834 119.914 0.141 0.000 2.332 216 V HA -0.342 3.777 4.120 -0.001 0.000 0.248 216 V C 2.544 178.746 176.094 0.180 0.000 1.055 216 V CA 2.114 64.514 62.300 0.167 0.000 1.038 216 V CB -1.112 30.794 31.823 0.138 0.000 0.651 216 V HN 0.723 nan 8.190 nan 0.000 0.450 217 N N 0.065 118.853 118.700 0.148 0.000 2.120 217 N HA -0.256 4.484 4.740 -0.001 0.000 0.188 217 N C 1.961 177.559 175.510 0.146 0.000 1.024 217 N CA 1.753 54.885 53.050 0.136 0.000 0.852 217 N CB -0.099 38.447 38.487 0.098 0.000 1.003 217 N HN 0.574 nan 8.380 nan 0.000 0.424 218 Q N -0.318 119.559 119.800 0.129 0.000 2.291 218 Q HA 0.008 4.347 4.340 -0.001 0.000 0.206 218 Q C 1.732 177.795 176.000 0.104 0.000 0.976 218 Q CA 1.202 57.072 55.803 0.111 0.000 0.875 218 Q CB -0.006 28.793 28.738 0.101 0.000 0.927 218 Q HN 0.533 nan 8.270 nan 0.000 0.450 219 A N -0.279 122.616 122.820 0.124 0.000 2.178 219 A HA -0.064 4.256 4.320 -0.001 0.000 0.211 219 A C 0.701 178.365 177.584 0.134 0.000 1.157 219 A CA -0.113 51.958 52.037 0.057 0.000 0.780 219 A CB -0.258 18.804 19.000 0.102 0.000 0.828 219 A HN 0.345 nan 8.150 nan 0.000 0.476 220 H N 0.706 119.853 119.070 0.129 0.000 2.948 220 H HA 0.057 4.612 4.556 -0.001 0.000 0.351 220 H C 0.469 175.850 175.328 0.088 0.000 1.079 220 H CA 0.186 56.318 56.048 0.139 0.000 1.407 220 H CB 0.353 30.178 29.762 0.104 0.000 1.373 220 H HN 0.273 nan 8.280 nan 0.000 0.605 221 M N 3.230 122.643 119.600 -0.312 0.000 2.255 221 M HA -0.053 4.426 4.480 -0.001 0.000 0.356 221 M C 0.948 177.358 176.300 0.183 0.000 1.338 221 M CA 1.732 56.984 55.300 -0.079 0.000 0.962 221 M CB -0.843 31.644 32.600 -0.188 0.000 1.877 221 M HN 0.983 nan 8.290 nan 0.000 0.463 222 G N 4.409 113.270 108.800 0.101 0.000 2.176 222 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.252 222 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.252 222 G C 0.337 175.305 174.900 0.113 0.000 1.024 222 G CA 0.600 45.762 45.100 0.104 0.000 0.755 222 G HN 0.626 nan 8.290 nan 0.000 0.507 223 M N -0.476 119.195 119.600 0.118 0.000 2.209 223 M HA 0.357 4.837 4.480 -0.001 0.000 0.195 223 M C 0.709 177.053 176.300 0.074 0.000 1.518 223 M CA 0.018 55.377 55.300 0.098 0.000 1.747 223 M CB -0.887 31.785 32.600 0.121 0.000 1.021 223 M HN 0.084 nan 8.290 nan 0.000 0.829 224 D N 1.373 121.816 120.400 0.072 0.000 2.302 224 D HA 0.132 4.771 4.640 -0.001 0.000 0.248 224 D C -0.083 176.269 176.300 0.086 0.000 1.094 224 D CA 0.388 54.431 54.000 0.072 0.000 0.897 224 D CB 0.535 41.377 40.800 0.070 0.000 1.200 224 D HN 0.407 nan 8.370 nan 0.000 0.429 225 N N 2.397 121.168 118.700 0.119 0.000 2.167 225 N HA -0.038 4.701 4.740 -0.001 0.000 0.234 225 N C -1.026 174.675 175.510 0.319 0.000 1.312 225 N CA -0.246 52.929 53.050 0.208 0.000 0.861 225 N CB 0.604 39.193 38.487 0.170 0.000 1.217 225 N HN 0.387 nan 8.380 nan 0.000 0.504 226 D N 2.055 122.543 120.400 0.147 0.000 2.317 226 D HA 0.164 4.804 4.640 -0.001 0.000 0.234 226 D C -1.452 174.819 176.300 -0.049 0.000 1.112 226 D CA -1.800 52.210 54.000 0.017 0.000 0.840 226 D CB 2.095 42.878 40.800 -0.029 0.000 1.078 226 D HN 0.155 nan 8.370 nan 0.000 0.486 227 P HA -0.165 nan 4.420 nan 0.000 0.215 227 P C 1.593 178.811 177.300 -0.137 0.000 1.157 227 P CA 0.710 63.680 63.100 -0.216 0.000 0.868 227 P CB 0.428 31.792 31.700 -0.561 0.000 0.788 228 V N 0.364 120.141 119.914 -0.229 0.000 2.427 228 V HA -0.194 3.926 4.120 -0.001 0.000 0.248 228 V C 2.607 178.487 176.094 -0.357 0.000 1.051 228 V CA 2.250 64.359 62.300 -0.320 0.000 1.048 228 V CB -1.828 29.716 31.823 -0.465 0.000 0.666 228 V HN 0.120 nan 8.190 nan 0.000 0.456 229 N N 0.115 118.680 118.700 -0.225 0.000 2.120 229 N HA -0.106 4.633 4.740 -0.001 0.000 0.188 229 N C 1.677 177.213 175.510 0.043 0.000 1.024 229 N CA 1.335 54.327 53.050 -0.097 0.000 0.852 229 N CB -0.231 38.229 38.487 -0.045 0.000 1.003 229 N HN 0.409 nan 8.380 nan 0.000 0.424 230 L N -0.703 120.549 121.223 0.048 0.000 2.056 230 L HA -0.108 4.231 4.340 -0.001 0.000 0.207 230 L C 2.118 179.074 176.870 0.144 0.000 1.078 230 L CA 0.647 55.544 54.840 0.095 0.000 0.749 230 L CB -0.339 41.772 42.059 0.087 0.000 0.901 230 L HN 0.057 nan 8.230 nan 0.000 0.433 231 V N -0.739 119.278 119.914 0.171 0.000 2.343 231 V HA -0.283 3.836 4.120 -0.001 0.000 0.247 231 V C 2.314 178.636 176.094 0.379 0.000 1.051 231 V CA 1.692 64.146 62.300 0.256 0.000 1.036 231 V CB -0.599 31.401 31.823 0.296 0.000 0.654 231 V HN 0.226 nan 8.190 nan 0.000 0.451 232 F N 0.404 120.422 119.950 0.114 0.000 2.216 232 F HA -0.141 4.386 4.527 -0.001 0.000 0.300 232 F C 2.787 178.632 175.800 0.075 0.000 1.085 232 F CA 1.540 59.617 58.000 0.129 0.000 1.326 232 F CB -1.148 37.953 39.000 0.167 0.000 1.027 232 F HN 0.152 nan 8.300 nan 0.000 0.497 233 S N -0.347 115.513 115.700 0.266 0.000 2.387 233 S HA -0.067 4.402 4.470 -0.001 0.000 0.226 233 S C 2.303 176.962 174.600 0.098 0.000 1.026 233 S CA 0.943 59.239 58.200 0.160 0.000 0.972 233 S CB -0.396 62.891 63.200 0.146 0.000 0.814 233 S HN 0.263 nan 8.310 nan 0.000 0.477 234 A N 1.240 124.126 122.820 0.110 0.000 1.930 234 A HA 0.075 4.395 4.320 -0.001 0.000 0.217 234 A C 2.062 179.666 177.584 0.033 0.000 1.175 234 A CA 1.200 53.285 52.037 0.078 0.000 0.627 234 A CB -0.639 18.421 19.000 0.099 0.000 0.815 234 A HN 0.617 nan 8.150 nan 0.000 0.443 235 I N -1.103 119.468 120.570 0.003 0.000 2.315 235 I HA -0.219 3.951 4.170 -0.001 0.000 0.248 235 I C 2.677 178.684 176.117 -0.183 0.000 1.117 235 I CA 1.517 62.737 61.300 -0.133 0.000 1.404 235 I CB -0.250 37.571 38.000 -0.297 0.000 1.071 235 I HN 0.373 nan 8.210 nan 0.000 0.419 236 R N 0.721 121.143 120.500 -0.131 0.000 2.096 236 R HA -0.134 4.205 4.340 -0.001 0.000 0.235 236 R C 2.201 178.402 176.300 -0.165 0.000 1.127 236 R CA 1.303 57.297 56.100 -0.176 0.000 0.968 236 R CB -0.094 30.142 30.300 -0.107 0.000 0.861 236 R HN 0.139 nan 8.270 nan 0.000 0.440 237 V N 0.877 120.739 119.914 -0.086 0.000 2.427 237 V HA -0.174 3.945 4.120 -0.001 0.000 0.248 237 V C 2.418 178.501 176.094 -0.019 0.000 1.051 237 V CA 1.806 64.072 62.300 -0.056 0.000 1.048 237 V CB -0.522 31.303 31.823 0.003 0.000 0.666 237 V HN 0.551 nan 8.190 nan 0.000 0.456 238 A N -0.245 122.582 122.820 0.012 0.000 1.902 238 A HA -0.137 4.183 4.320 -0.001 0.000 0.217 238 A C 2.181 179.816 177.584 0.085 0.000 1.181 238 A CA 1.619 53.736 52.037 0.134 0.000 0.623 238 A CB -0.503 18.581 19.000 0.140 0.000 0.818 238 A HN 0.505 nan 8.150 nan 0.000 0.443 239 L N -0.913 120.240 121.223 -0.116 0.000 2.201 239 L HA -0.153 4.186 4.340 -0.001 0.000 0.212 239 L C 2.989 179.748 176.870 -0.184 0.000 1.105 239 L CA 0.813 55.516 54.840 -0.229 0.000 0.775 239 L CB -0.437 41.373 42.059 -0.414 0.000 0.913 239 L HN 0.450 nan 8.230 nan 0.000 0.440 240 A N -0.379 122.336 122.820 -0.175 0.000 1.929 240 A HA -0.236 4.084 4.320 -0.001 0.000 0.216 240 A C 2.124 179.608 177.584 -0.167 0.000 1.176 240 A CA 1.662 53.576 52.037 -0.205 0.000 0.628 240 A CB -0.464 18.410 19.000 -0.209 0.000 0.816 240 A HN 0.452 nan 8.150 nan 0.000 0.444 241 D N -1.139 119.231 120.400 -0.051 0.000 2.084 241 D HA -0.238 4.402 4.640 -0.001 0.000 0.194 241 D C 1.795 178.037 176.300 -0.096 0.000 0.990 241 D CA 1.803 55.839 54.000 0.061 0.000 0.826 241 D CB -0.369 40.604 40.800 0.288 0.000 0.971 241 D HN 0.488 nan 8.370 nan 0.000 0.453 242 Y N 1.642 121.665 120.300 -0.461 0.000 2.151 242 Y HA -0.219 4.331 4.550 -0.001 0.000 0.284 242 Y C 2.374 177.970 175.900 -0.508 0.000 1.166 242 Y CA 2.474 60.033 58.100 -0.902 0.000 1.163 242 Y CB -0.751 36.795 38.460 -1.523 0.000 0.974 242 Y HN -0.053 nan 8.280 nan 0.000 0.511 243 T N -0.054 114.154 114.554 -0.577 0.000 2.708 243 T HA -0.155 4.194 4.350 -0.001 0.000 0.266 243 T C 2.055 176.443 174.700 -0.520 0.000 1.037 243 T CA 1.683 63.460 62.100 -0.538 0.000 1.146 243 T CB -1.125 67.533 68.868 -0.351 0.000 0.865 243 T HN 0.592 nan 8.240 nan 0.000 0.435 244 G N 0.975 109.522 108.800 -0.421 0.000 2.422 244 G HA2 -0.184 3.776 3.960 -0.001 0.000 0.218 244 G HA3 -0.184 3.776 3.960 -0.001 0.000 0.218 244 G C 1.467 176.176 174.900 -0.318 0.000 1.146 244 G CA 0.655 45.575 45.100 -0.300 0.000 0.769 244 G HN 0.509 nan 8.290 nan 0.000 0.547 245 E N -0.535 119.434 120.200 -0.386 0.000 2.051 245 E HA -0.163 4.187 4.350 -0.001 0.000 0.192 245 E C 2.262 178.608 176.600 -0.424 0.000 0.991 245 E CA 0.727 56.866 56.400 -0.435 0.000 0.799 245 E CB -0.238 29.193 29.700 -0.448 0.000 0.748 245 E HN 0.404 nan 8.360 nan 0.000 0.449 246 H N 0.607 119.325 119.070 -0.587 0.000 2.421 246 H HA -0.053 4.503 4.556 -0.001 0.000 0.298 246 H C 2.052 177.154 175.328 -0.376 0.000 1.087 246 H CA 1.074 56.859 56.048 -0.438 0.000 1.330 246 H CB 0.031 29.485 29.762 -0.513 0.000 1.388 246 H HN 0.171 nan 8.280 nan 0.000 0.526 247 I N 0.066 120.353 120.570 -0.473 0.000 2.252 247 I HA -0.227 3.942 4.170 -0.001 0.000 0.245 247 I C 2.840 178.556 176.117 -0.668 0.000 1.102 247 I CA 0.926 61.661 61.300 -0.942 0.000 1.385 247 I CB -0.343 37.012 38.000 -1.074 0.000 1.064 247 I HN 0.184 nan 8.210 nan 0.000 0.414 248 A N 0.416 122.998 122.820 -0.397 0.000 1.902 248 A HA -0.210 4.109 4.320 -0.001 0.000 0.217 248 A C 2.381 179.897 177.584 -0.114 0.000 1.181 248 A CA 2.528 54.423 52.037 -0.236 0.000 0.623 248 A CB -1.097 17.640 19.000 -0.439 0.000 0.818 248 A HN 0.379 nan 8.150 nan 0.000 0.443 249 T N 0.081 114.539 114.554 -0.160 0.000 2.737 249 T HA -0.120 4.229 4.350 -0.001 0.000 0.265 249 T C 1.587 176.305 174.700 0.030 0.000 1.038 249 T CA 1.445 63.506 62.100 -0.066 0.000 1.144 249 T CB -0.437 68.333 68.868 -0.163 0.000 0.866 249 T HN 0.444 nan 8.240 nan 0.000 0.434 250 D N 0.795 121.217 120.400 0.036 0.000 2.092 250 D HA -0.073 4.567 4.640 -0.001 0.000 0.193 250 D C 1.857 178.366 176.300 0.350 0.000 0.994 250 D CA 1.036 55.162 54.000 0.210 0.000 0.828 250 D CB -0.347 40.647 40.800 0.324 0.000 0.963 250 D HN 0.279 nan 8.370 nan 0.000 0.450 251 F N 1.100 121.076 119.950 0.044 0.000 2.293 251 F HA -0.010 4.517 4.527 -0.001 0.000 0.300 251 F C 2.672 178.455 175.800 -0.029 0.000 1.086 251 F CA 0.275 58.272 58.000 -0.005 0.000 1.375 251 F CB -1.052 37.924 39.000 -0.039 0.000 1.045 251 F HN -0.128 nan 8.300 nan 0.000 0.516 252 S N -0.137 115.707 115.700 0.240 0.000 2.383 252 S HA -0.144 4.325 4.470 -0.001 0.000 0.227 252 S C 1.584 176.309 174.600 0.208 0.000 1.026 252 S CA 1.249 59.609 58.200 0.267 0.000 0.981 252 S CB -0.195 63.204 63.200 0.331 0.000 0.818 252 S HN 0.277 nan 8.310 nan 0.000 0.472 253 D N 1.409 121.912 120.400 0.171 0.000 2.144 253 D HA 0.044 4.683 4.640 -0.001 0.000 0.200 253 D C 1.777 178.125 176.300 0.080 0.000 0.978 253 D CA 0.660 54.743 54.000 0.138 0.000 0.833 253 D CB -0.264 40.613 40.800 0.129 0.000 0.961 253 D HN 0.335 nan 8.370 nan 0.000 0.470 254 I N 0.223 120.833 120.570 0.066 0.000 2.252 254 I HA -0.212 3.958 4.170 -0.001 0.000 0.245 254 I C 2.170 178.216 176.117 -0.118 0.000 1.102 254 I CA 0.779 62.077 61.300 -0.002 0.000 1.385 254 I CB -0.029 37.972 38.000 0.003 0.000 1.064 254 I HN -0.012 nan 8.210 nan 0.000 0.414 255 L N -0.917 120.139 121.223 -0.278 0.000 2.162 255 L HA -0.060 4.279 4.340 -0.001 0.000 0.205 255 L C 1.583 178.074 176.870 -0.632 0.000 1.086 255 L CA 1.231 55.719 54.840 -0.587 0.000 0.778 255 L CB -0.164 41.267 42.059 -1.047 0.000 0.928 255 L HN 0.166 nan 8.230 nan 0.000 0.446 256 F N -0.769 119.234 119.950 0.089 0.000 2.706 256 F HA 0.463 4.990 4.527 -0.001 0.000 0.313 256 F C 1.012 176.840 175.800 0.047 0.000 1.096 256 F CA -0.033 58.008 58.000 0.069 0.000 1.219 256 F CB 0.692 39.738 39.000 0.076 0.000 1.051 256 F HN -0.003 nan 8.300 nan 0.000 0.568 257 G N 0.997 109.888 108.800 0.152 0.000 2.788 257 G HA2 -0.119 3.840 3.960 -0.001 0.000 0.686 257 G HA3 -0.119 3.840 3.960 -0.001 0.000 0.686 257 G C -0.557 174.408 174.900 0.109 0.000 1.147 257 G CA -1.174 43.990 45.100 0.107 0.000 0.755 257 G HN -0.050 nan 8.290 nan 0.000 0.634 258 T N 4.438 119.041 114.554 0.082 0.000 2.814 258 T HA 0.479 4.829 4.350 -0.001 0.000 0.297 258 T C -1.719 173.014 174.700 0.055 0.000 0.956 258 T CA -0.170 61.978 62.100 0.079 0.000 1.123 258 T CB 1.054 69.967 68.868 0.075 0.000 0.902 258 T HN 0.500 nan 8.240 nan 0.000 0.528 259 P HA 0.119 nan 4.420 nan 0.000 0.265 259 P C -0.349 176.933 177.300 -0.031 0.000 1.187 259 P CA 0.069 63.170 63.100 0.002 0.000 0.766 259 P CB 0.460 32.162 31.700 0.003 0.000 0.820 260 Q N 3.215 122.959 119.800 -0.094 0.000 2.433 260 Q HA 0.436 4.775 4.340 -0.001 0.000 0.279 260 Q C -2.494 173.328 176.000 -0.297 0.000 1.105 260 Q CA -2.441 53.273 55.803 -0.148 0.000 0.815 260 Q CB 1.302 29.984 28.738 -0.092 0.000 1.403 260 Q HN 0.254 nan 8.270 nan 0.000 0.435 261 P HA -0.061 nan 4.420 nan 0.000 0.261 261 P C -1.324 175.764 177.300 -0.353 0.000 1.173 261 P CA 0.373 63.066 63.100 -0.679 0.000 0.760 261 P CB 0.438 31.702 31.700 -0.727 0.000 0.783 262 V N 4.517 124.246 119.914 -0.308 0.000 3.049 262 V HA 0.479 4.598 4.120 -0.001 0.000 0.309 262 V C -1.075 174.943 176.094 -0.126 0.000 1.148 262 V CA -0.857 61.339 62.300 -0.174 0.000 0.990 262 V CB 2.736 34.472 31.823 -0.145 0.000 1.039 262 V HN 0.109 nan 8.190 nan 0.000 0.430 263 V N 4.296 124.162 119.914 -0.079 0.000 2.547 263 V HA 0.908 5.028 4.120 -0.001 0.000 0.299 263 V C 0.160 176.231 176.094 -0.039 0.000 1.040 263 V CA 0.287 62.558 62.300 -0.047 0.000 0.913 263 V CB 1.429 33.234 31.823 -0.031 0.000 0.992 263 V HN 1.104 nan 8.190 nan 0.000 0.449 264 S N 2.790 118.475 115.700 -0.024 0.000 2.815 264 S HA 0.621 5.091 4.470 -0.001 0.000 0.296 264 S C -1.685 172.911 174.600 -0.007 0.000 1.224 264 S CA -0.647 57.542 58.200 -0.019 0.000 0.938 264 S CB 1.846 65.032 63.200 -0.024 0.000 1.285 264 S HN 0.788 nan 8.310 nan 0.000 0.549 265 E N -0.451 119.747 120.200 -0.004 0.000 2.416 265 E HA 0.749 5.099 4.350 -0.001 0.000 0.273 265 E C -1.288 175.316 176.600 0.006 0.000 0.935 265 E CA -1.112 55.289 56.400 0.001 0.000 0.784 265 E CB 2.156 31.853 29.700 -0.005 0.000 1.301 265 E HN 0.738 nan 8.360 nan 0.000 0.454 266 A N 2.047 124.872 122.820 0.007 0.000 2.539 266 A HA 0.760 5.079 4.320 -0.001 0.000 0.296 266 A C -0.694 176.890 177.584 0.001 0.000 1.073 266 A CA -0.467 51.575 52.037 0.009 0.000 0.700 266 A CB 1.680 20.693 19.000 0.020 0.000 1.296 266 A HN 0.608 nan 8.150 nan 0.000 0.405 267 N N -0.735 117.962 118.700 -0.004 0.000 5.725 267 N HA -0.131 4.609 4.740 -0.001 0.000 0.391 267 N C 0.722 176.218 175.510 -0.023 0.000 1.466 267 N CA 0.611 53.654 53.050 -0.011 0.000 2.340 267 N CB -0.574 37.909 38.487 -0.006 0.000 0.615 267 N HN 0.737 nan 8.380 nan 0.000 0.597 268 M N 0.527 120.109 119.600 -0.031 0.000 2.331 268 M HA -0.138 4.342 4.480 -0.001 0.000 0.260 268 M C 1.999 178.266 176.300 -0.056 0.000 1.072 268 M CA 2.220 57.493 55.300 -0.047 0.000 1.065 268 M CB -0.588 31.980 32.600 -0.053 0.000 1.392 268 M HN 0.644 nan 8.290 nan 0.000 0.427 269 G N 0.337 109.107 108.800 -0.050 0.000 2.535 269 G HA2 -0.062 3.897 3.960 -0.001 0.000 0.218 269 G HA3 -0.062 3.897 3.960 -0.001 0.000 0.218 269 G C 1.380 176.254 174.900 -0.044 0.000 1.122 269 G CA 0.897 45.964 45.100 -0.055 0.000 0.769 269 G HN 0.521 nan 8.290 nan 0.000 0.549 270 V N -1.451 118.443 119.914 -0.034 0.000 3.305 270 V HA 0.299 4.419 4.120 -0.001 0.000 0.269 270 V C 1.185 177.263 176.094 -0.026 0.000 1.157 270 V CA 0.047 62.331 62.300 -0.026 0.000 1.157 270 V CB -0.686 31.126 31.823 -0.019 0.000 0.772 270 V HN 0.176 nan 8.190 nan 0.000 0.498 271 L N 1.609 122.811 121.223 -0.035 0.000 2.417 271 L HA 0.484 4.823 4.340 -0.001 0.000 0.268 271 L C -0.088 176.767 176.870 -0.025 0.000 1.158 271 L CA 0.149 54.972 54.840 -0.029 0.000 0.819 271 L CB 0.693 42.727 42.059 -0.042 0.000 1.112 271 L HN 0.185 nan 8.230 nan 0.000 0.458 272 D N 3.622 124.019 120.400 -0.005 0.000 2.505 272 D HA 0.229 4.869 4.640 -0.001 0.000 0.250 272 D C -1.800 174.524 176.300 0.040 0.000 1.164 272 D CA -1.962 52.041 54.000 0.005 0.000 0.870 272 D CB 2.224 43.025 40.800 0.002 0.000 1.160 272 D HN 0.142 nan 8.370 nan 0.000 0.549 273 P HA -0.093 nan 4.420 nan 0.000 0.221 273 P C 0.153 177.547 177.300 0.157 0.000 1.145 273 P CA 0.896 64.040 63.100 0.073 0.000 0.795 273 P CB 0.575 32.293 31.700 0.029 0.000 0.775 274 D N -1.068 119.416 120.400 0.141 0.000 2.340 274 D HA 0.104 4.744 4.640 -0.001 0.000 0.217 274 D C 0.970 177.371 176.300 0.169 0.000 1.081 274 D CA 0.312 54.436 54.000 0.207 0.000 0.842 274 D CB 0.505 41.373 40.800 0.115 0.000 0.934 274 D HN 0.384 nan 8.370 nan 0.000 0.511 275 Q N -0.127 119.727 119.800 0.090 0.000 2.418 275 Q HA 0.466 4.806 4.340 -0.001 0.000 0.276 275 Q C -0.559 175.326 176.000 -0.192 0.000 1.081 275 Q CA -0.961 54.762 55.803 -0.133 0.000 0.864 275 Q CB 2.843 31.535 28.738 -0.077 0.000 1.384 275 Q HN -0.172 nan 8.270 nan 0.000 0.467 276 V N 2.761 122.466 119.914 -0.349 0.000 2.372 276 V HA 0.096 4.216 4.120 -0.001 0.000 0.261 276 V C -0.343 175.760 176.094 0.016 0.000 1.055 276 V CA -0.472 61.721 62.300 -0.177 0.000 0.930 276 V CB 0.108 31.806 31.823 -0.208 0.000 1.031 276 V HN 0.564 nan 8.190 nan 0.000 0.479 277 N N 5.153 123.905 118.700 0.086 0.000 2.415 277 N HA 0.238 4.977 4.740 -0.001 0.000 0.246 277 N C -0.828 174.744 175.510 0.104 0.000 1.078 277 N CA 0.008 53.105 53.050 0.078 0.000 0.942 277 N CB 1.093 39.608 38.487 0.048 0.000 1.140 277 N HN 0.607 nan 8.380 nan 0.000 0.501 278 F N 2.929 122.866 119.950 -0.021 0.000 2.361 278 F HA 0.276 4.802 4.527 -0.001 0.000 0.364 278 F C -0.189 175.599 175.800 -0.020 0.000 1.117 278 F CA -0.845 57.143 58.000 -0.019 0.000 1.071 278 F CB 0.834 39.818 39.000 -0.028 0.000 1.188 278 F HN 0.043 nan 8.300 nan 0.000 0.464 279 V N 7.375 127.220 119.914 -0.115 0.000 2.432 279 V HA 0.231 4.350 4.120 -0.001 0.000 0.275 279 V C 0.062 176.175 176.094 0.032 0.000 1.043 279 V CA -0.673 61.613 62.300 -0.023 0.000 0.925 279 V CB 1.312 33.087 31.823 -0.080 0.000 0.985 279 V HN 0.567 nan 8.190 nan 0.000 0.466 280 L N 5.585 126.885 121.223 0.129 0.000 2.262 280 L HA 0.524 4.863 4.340 -0.001 0.000 0.288 280 L C -0.405 176.551 176.870 0.143 0.000 1.035 280 L CA -0.264 54.663 54.840 0.146 0.000 0.820 280 L CB 0.612 42.746 42.059 0.125 0.000 1.204 280 L HN 0.685 nan 8.230 nan 0.000 0.424 281 H N 2.434 121.508 119.070 0.007 0.000 2.690 281 H HA 0.849 5.405 4.556 -0.001 0.000 0.368 281 H C -0.030 175.318 175.328 0.034 0.000 1.150 281 H CA -0.018 56.038 56.048 0.014 0.000 1.174 281 H CB 2.084 31.852 29.762 0.010 0.000 1.684 281 H HN 0.650 nan 8.280 nan 0.000 0.538 282 G N 2.459 111.250 108.800 -0.016 0.000 2.217 282 G HA2 -0.117 3.842 3.960 -0.001 0.000 0.173 282 G HA3 -0.117 3.842 3.960 -0.001 0.000 0.173 282 G C -0.634 174.286 174.900 0.034 0.000 1.324 282 G CA 0.292 45.358 45.100 -0.055 0.000 1.225 282 G HN 0.659 nan 8.290 nan 0.000 0.494 283 H N -0.252 118.809 119.070 -0.017 0.000 3.051 283 H HA 0.314 4.869 4.556 -0.001 0.000 0.218 283 H C 0.675 175.949 175.328 -0.091 0.000 0.898 283 H CA 0.258 56.314 56.048 0.013 0.000 0.989 283 H CB 0.486 30.278 29.762 0.051 0.000 1.343 283 H HN 0.339 nan 8.280 nan 0.000 0.499 284 N N 3.221 121.863 118.700 -0.096 0.000 2.408 284 N HA 0.045 4.785 4.740 -0.001 0.000 0.257 284 N C -1.913 173.554 175.510 -0.071 0.000 1.064 284 N CA -1.524 51.402 53.050 -0.207 0.000 0.952 284 N CB 1.579 39.913 38.487 -0.254 0.000 1.093 284 N HN 0.162 nan 8.380 nan 0.000 0.490 285 P HA -0.044 nan 4.420 nan 0.000 0.237 285 P C 1.431 178.659 177.300 -0.120 0.000 1.178 285 P CA 0.469 63.496 63.100 -0.121 0.000 0.766 285 P CB 0.467 32.069 31.700 -0.162 0.000 0.876 286 L N -1.245 120.038 121.223 0.101 0.000 2.187 286 L HA -0.168 4.171 4.340 -0.001 0.000 0.213 286 L C 2.424 179.516 176.870 0.370 0.000 1.100 286 L CA 0.933 55.975 54.840 0.335 0.000 0.765 286 L CB -0.689 41.450 42.059 0.132 0.000 0.904 286 L HN 0.071 nan 8.230 nan 0.000 0.437 287 L N -0.865 120.415 121.223 0.095 0.000 2.194 287 L HA -0.051 4.289 4.340 -0.001 0.000 0.197 287 L C 2.747 179.559 176.870 -0.096 0.000 1.106 287 L CA 1.880 56.644 54.840 -0.126 0.000 0.785 287 L CB -0.774 41.066 42.059 -0.365 0.000 0.960 287 L HN 0.243 nan 8.230 nan 0.000 0.465 288 S N -0.836 114.798 115.700 -0.110 0.000 2.365 288 S HA -0.244 4.226 4.470 -0.001 0.000 0.225 288 S C 1.840 176.347 174.600 -0.154 0.000 1.039 288 S CA 1.400 59.536 58.200 -0.106 0.000 1.033 288 S CB -0.946 62.203 63.200 -0.086 0.000 0.887 288 S HN 0.546 nan 8.310 nan 0.000 0.447 289 E N 1.094 121.137 120.200 -0.260 0.000 2.097 289 E HA -0.104 4.245 4.350 -0.001 0.000 0.196 289 E C 2.157 178.652 176.600 -0.174 0.000 1.000 289 E CA 1.181 57.380 56.400 -0.334 0.000 0.804 289 E CB -0.350 28.858 29.700 -0.820 0.000 0.740 289 E HN 0.531 nan 8.360 nan 0.000 0.454 290 I N 0.991 121.502 120.570 -0.098 0.000 2.353 290 I HA -0.193 3.976 4.170 -0.001 0.000 0.248 290 I C 2.361 178.428 176.117 -0.082 0.000 1.119 290 I CA 0.586 61.844 61.300 -0.071 0.000 1.417 290 I CB -0.889 37.127 38.000 0.025 0.000 1.078 290 I HN 0.068 nan 8.210 nan 0.000 0.421 291 I N 0.643 121.153 120.570 -0.100 0.000 2.226 291 I HA -0.213 3.957 4.170 -0.001 0.000 0.245 291 I C 2.750 178.745 176.117 -0.203 0.000 1.100 291 I CA 1.167 62.358 61.300 -0.182 0.000 1.374 291 I CB -1.105 36.762 38.000 -0.222 0.000 1.057 291 I HN 0.036 nan 8.210 nan 0.000 0.413 292 V N 0.588 120.406 119.914 -0.160 0.000 2.287 292 V HA -0.313 3.807 4.120 -0.001 0.000 0.248 292 V C 2.585 178.607 176.094 -0.121 0.000 1.053 292 V CA 1.782 63.999 62.300 -0.139 0.000 1.027 292 V CB -0.756 30.997 31.823 -0.116 0.000 0.646 292 V HN 0.457 nan 8.190 nan 0.000 0.447 293 Q N -0.598 119.138 119.800 -0.107 0.000 2.050 293 Q HA -0.162 4.177 4.340 -0.001 0.000 0.202 293 Q C 2.420 178.364 176.000 -0.093 0.000 0.980 293 Q CA 1.779 57.529 55.803 -0.088 0.000 0.840 293 Q CB -0.399 28.290 28.738 -0.081 0.000 0.898 293 Q HN 0.680 nan 8.270 nan 0.000 0.424 294 A N 0.848 123.604 122.820 -0.106 0.000 1.933 294 A HA -0.153 4.167 4.320 -0.001 0.000 0.218 294 A C 2.252 179.762 177.584 -0.124 0.000 1.175 294 A CA 1.582 53.557 52.037 -0.104 0.000 0.628 294 A CB -0.789 18.149 19.000 -0.104 0.000 0.814 294 A HN 0.429 nan 8.150 nan 0.000 0.444 295 A N -0.014 122.708 122.820 -0.164 0.000 1.908 295 A HA -0.200 4.120 4.320 -0.001 0.000 0.218 295 A C 2.211 179.724 177.584 -0.118 0.000 1.181 295 A CA 1.648 53.582 52.037 -0.172 0.000 0.627 295 A CB -0.484 18.392 19.000 -0.207 0.000 0.818 295 A HN 0.570 nan 8.150 nan 0.000 0.445 296 R N -0.123 120.318 120.500 -0.099 0.000 2.105 296 R HA -0.146 4.193 4.340 -0.001 0.000 0.239 296 R C 1.653 177.914 176.300 -0.065 0.000 1.135 296 R CA 1.675 57.730 56.100 -0.075 0.000 0.967 296 R CB -0.295 29.967 30.300 -0.064 0.000 0.861 296 R HN 0.697 nan 8.270 nan 0.000 0.442 297 E N -0.322 119.839 120.200 -0.065 0.000 2.502 297 E HA 0.010 4.360 4.350 -0.001 0.000 0.194 297 E C 1.054 177.622 176.600 -0.053 0.000 1.062 297 E CA 0.292 56.660 56.400 -0.053 0.000 0.867 297 E CB 0.343 30.014 29.700 -0.048 0.000 0.888 297 E HN 0.237 nan 8.360 nan 0.000 0.510 298 M N 0.161 119.721 119.600 -0.067 0.000 2.333 298 M HA 0.107 4.586 4.480 -0.001 0.000 0.257 298 M C 1.137 177.398 176.300 -0.066 0.000 1.078 298 M CA 0.365 55.626 55.300 -0.064 0.000 1.005 298 M CB 0.419 32.971 32.600 -0.080 0.000 1.444 298 M HN -0.003 nan 8.290 nan 0.000 0.496 299 E N 0.986 121.146 120.200 -0.067 0.000 2.070 299 E HA -0.150 4.200 4.350 -0.001 0.000 0.197 299 E C 2.029 178.594 176.600 -0.058 0.000 1.004 299 E CA 1.877 58.236 56.400 -0.068 0.000 0.805 299 E CB -0.347 29.318 29.700 -0.059 0.000 0.744 299 E HN 0.570 nan 8.360 nan 0.000 0.451 300 G N 0.686 109.459 108.800 -0.044 0.000 2.422 300 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.218 300 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.218 300 G C 1.511 176.393 174.900 -0.029 0.000 1.140 300 G CA 0.683 45.763 45.100 -0.033 0.000 0.775 300 G HN 0.297 nan 8.290 nan 0.000 0.545 301 E N 0.197 120.379 120.200 -0.030 0.000 2.153 301 E HA -0.001 4.349 4.350 -0.001 0.000 0.194 301 E C 2.734 179.319 176.600 -0.025 0.000 0.988 301 E CA 0.826 57.215 56.400 -0.019 0.000 0.811 301 E CB -0.120 29.570 29.700 -0.017 0.000 0.746 301 E HN 0.378 nan 8.360 nan 0.000 0.466 302 A N 1.145 123.930 122.820 -0.057 0.000 1.872 302 A HA -0.165 4.154 4.320 -0.001 0.000 0.214 302 A C 1.940 179.467 177.584 -0.095 0.000 1.187 302 A CA 1.362 53.337 52.037 -0.103 0.000 0.614 302 A CB -0.251 18.653 19.000 -0.160 0.000 0.826 302 A HN 0.088 nan 8.150 nan 0.000 0.442 303 K N -0.047 120.311 120.400 -0.069 0.000 2.020 303 K HA -0.147 4.173 4.320 -0.001 0.000 0.212 303 K C 2.217 178.817 176.600 0.000 0.000 1.050 303 K CA 1.345 57.608 56.287 -0.039 0.000 0.929 303 K CB -0.431 32.051 32.500 -0.030 0.000 0.714 303 K HN 0.419 nan 8.250 nan 0.000 0.443 304 A N 1.302 124.124 122.820 0.004 0.000 2.084 304 A HA -0.142 4.178 4.320 -0.001 0.000 0.221 304 A C 2.184 179.796 177.584 0.048 0.000 1.161 304 A CA 1.862 53.912 52.037 0.022 0.000 0.653 304 A CB -0.574 18.436 19.000 0.016 0.000 0.802 304 A HN 0.380 nan 8.150 nan 0.000 0.457 305 A N -2.232 120.626 122.820 0.063 0.000 2.251 305 A HA 0.426 4.746 4.320 -0.001 0.000 0.209 305 A C 1.715 179.434 177.584 0.224 0.000 1.187 305 A CA 1.181 53.298 52.037 0.132 0.000 0.823 305 A CB -0.639 18.454 19.000 0.156 0.000 0.846 305 A HN 1.834 nan 8.150 nan 0.000 0.486 306 G N -2.463 106.442 108.800 0.175 0.000 2.163 306 G HA2 0.177 4.137 3.960 -0.001 0.000 0.213 306 G HA3 0.177 4.137 3.960 -0.001 0.000 0.213 306 G C 0.297 175.387 174.900 0.318 0.000 0.991 306 G CA 0.118 45.358 45.100 0.233 0.000 0.653 306 G HN 1.483 nan 8.290 nan 0.000 0.518 307 A N -0.161 122.714 122.820 0.091 0.000 2.295 307 A HA 0.813 5.132 4.320 -0.001 0.000 0.318 307 A C 1.115 178.627 177.584 -0.120 0.000 1.134 307 A CA 0.297 52.201 52.037 -0.221 0.000 0.827 307 A CB 0.744 19.124 19.000 -1.034 0.000 1.136 307 A HN 0.181 nan 8.150 nan 0.000 0.493 308 K N 0.199 120.544 120.400 -0.092 0.000 2.288 308 K HA 0.208 4.528 4.320 -0.001 0.000 0.201 308 K C 0.860 177.406 176.600 -0.090 0.000 1.048 308 K CA 1.001 57.254 56.287 -0.057 0.000 0.956 308 K CB 0.072 32.557 32.500 -0.025 0.000 0.746 308 K HN 0.968 nan 8.250 nan 0.000 0.461 309 G N 0.256 108.964 108.800 -0.153 0.000 2.327 309 G HA2 0.185 4.144 3.960 -0.001 0.000 0.291 309 G HA3 0.185 4.144 3.960 -0.001 0.000 0.291 309 G C -1.743 173.053 174.900 -0.174 0.000 1.290 309 G CA -1.047 43.969 45.100 -0.140 0.000 0.857 309 G HN -0.012 nan 8.290 nan 0.000 0.520 310 I N 1.276 121.769 120.570 -0.128 0.000 2.321 310 I HA 0.306 4.475 4.170 -0.001 0.000 0.291 310 I C -0.425 175.649 176.117 -0.071 0.000 0.998 310 I CA -0.708 60.525 61.300 -0.111 0.000 1.227 310 I CB 1.735 39.667 38.000 -0.114 0.000 1.368 310 I HN 0.349 nan 8.210 nan 0.000 0.466 311 N N 7.965 126.641 118.700 -0.040 0.000 2.699 311 N HA 0.353 5.093 4.740 -0.001 0.000 0.232 311 N C -0.986 174.540 175.510 0.027 0.000 1.027 311 N CA -0.338 52.704 53.050 -0.014 0.000 0.920 311 N CB 0.523 39.003 38.487 -0.011 0.000 1.148 311 N HN 0.481 nan 8.380 nan 0.000 0.509 312 L N 2.879 124.110 121.223 0.012 0.000 2.367 312 L HA 0.416 4.756 4.340 -0.001 0.000 0.275 312 L C 0.112 177.006 176.870 0.041 0.000 1.129 312 L CA -0.718 54.150 54.840 0.048 0.000 0.839 312 L CB 0.629 42.679 42.059 -0.014 0.000 1.133 312 L HN 0.267 nan 8.230 nan 0.000 0.453 313 V N 0.076 120.030 119.914 0.067 0.000 3.007 313 V HA 0.977 5.097 4.120 -0.001 0.000 0.311 313 V C -0.120 175.997 176.094 0.040 0.000 1.120 313 V CA -0.540 61.779 62.300 0.033 0.000 0.980 313 V CB 1.616 33.447 31.823 0.014 0.000 1.033 313 V HN 0.727 nan 8.190 nan 0.000 0.429 314 G N 1.463 110.275 108.800 0.020 0.000 2.511 314 G HA2 0.842 4.802 3.960 -0.001 0.000 0.318 314 G HA3 0.842 4.802 3.960 -0.001 0.000 0.318 314 G C -1.289 173.613 174.900 0.002 0.000 1.210 314 G CA -0.924 44.191 45.100 0.025 0.000 0.969 314 G HN 0.856 nan 8.290 nan 0.000 0.484 315 I N -0.537 120.037 120.570 0.006 0.000 2.769 315 I HA 0.336 4.506 4.170 -0.001 0.000 0.298 315 I C 0.370 176.519 176.117 0.053 0.000 1.128 315 I CA -0.465 60.804 61.300 -0.051 0.000 1.031 315 I CB 1.972 39.799 38.000 -0.288 0.000 1.235 315 I HN 0.745 nan 8.210 nan 0.000 0.423 316 C N 2.004 121.340 119.300 0.059 0.000 0.168 316 C HA -0.290 4.170 4.460 -0.001 0.000 0.017 316 C C 2.299 177.286 174.990 -0.004 0.000 0.171 316 C CA 0.113 59.186 59.018 0.091 0.000 0.499 316 C CB -1.519 26.363 27.740 0.235 0.000 3.212 316 C HN 1.056 nan 8.230 nan 0.000 1.118 317 C N 1.057 120.235 119.300 -0.203 0.000 2.425 317 C HA -0.119 4.341 4.460 -0.001 0.000 0.277 317 C C 2.657 177.593 174.990 -0.091 0.000 1.280 317 C CA 2.110 61.002 59.018 -0.209 0.000 1.744 317 C CB -1.865 25.604 27.740 -0.452 0.000 1.989 317 C HN 1.057 nan 8.230 nan 0.000 0.491 318 T N -0.768 113.731 114.554 -0.092 0.000 2.915 318 T HA -0.022 4.328 4.350 -0.001 0.000 0.269 318 T C 1.918 176.616 174.700 -0.003 0.000 1.071 318 T CA 1.683 63.770 62.100 -0.022 0.000 1.132 318 T CB -0.693 68.169 68.868 -0.009 0.000 0.878 318 T HN 0.531 nan 8.240 nan 0.000 0.479 319 G N 2.028 110.838 108.800 0.017 0.000 2.421 319 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.216 319 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.216 319 G C 1.742 176.657 174.900 0.024 0.000 1.171 319 G CA 0.697 45.813 45.100 0.026 0.000 0.775 319 G HN 0.471 nan 8.290 nan 0.000 0.543 320 N N 0.728 119.456 118.700 0.048 0.000 2.166 320 N HA -0.074 4.666 4.740 -0.001 0.000 0.186 320 N C 2.176 177.685 175.510 -0.001 0.000 1.019 320 N CA 0.989 54.079 53.050 0.067 0.000 0.856 320 N CB -0.232 38.357 38.487 0.171 0.000 0.993 320 N HN 0.320 nan 8.380 nan 0.000 0.426 321 E N 0.634 120.842 120.200 0.013 0.000 2.038 321 E HA -0.128 4.221 4.350 -0.001 0.000 0.195 321 E C 2.107 178.682 176.600 -0.041 0.000 1.000 321 E CA 1.279 57.680 56.400 0.001 0.000 0.803 321 E CB -0.504 29.201 29.700 0.007 0.000 0.750 321 E HN 0.386 nan 8.360 nan 0.000 0.448 322 V N -0.284 119.597 119.914 -0.054 0.000 3.041 322 V HA -0.089 4.031 4.120 -0.001 0.000 0.260 322 V C 2.292 178.349 176.094 -0.060 0.000 1.105 322 V CA 1.035 63.293 62.300 -0.070 0.000 1.125 322 V CB -0.626 31.154 31.823 -0.071 0.000 0.730 322 V HN 0.062 nan 8.190 nan 0.000 0.479 323 L N -0.324 120.864 121.223 -0.058 0.000 2.068 323 L HA 0.080 4.420 4.340 -0.001 0.000 0.204 323 L C 2.368 179.172 176.870 -0.111 0.000 1.076 323 L CA 1.975 56.772 54.840 -0.071 0.000 0.753 323 L CB -0.612 41.411 42.059 -0.060 0.000 0.910 323 L HN 0.128 nan 8.230 nan 0.000 0.439 324 M N -0.561 118.957 119.600 -0.137 0.000 2.213 324 M HA -0.134 4.346 4.480 -0.001 0.000 0.263 324 M C 2.257 178.502 176.300 -0.091 0.000 1.062 324 M CA 1.616 56.827 55.300 -0.148 0.000 1.105 324 M CB -0.836 31.689 32.600 -0.126 0.000 1.385 324 M HN 0.363 nan 8.290 nan 0.000 0.417 325 R N -1.004 119.461 120.500 -0.058 0.000 2.221 325 R HA 0.073 4.413 4.340 -0.001 0.000 0.195 325 R C 1.484 177.761 176.300 -0.039 0.000 0.956 325 R CA 0.349 56.430 56.100 -0.030 0.000 1.064 325 R CB 0.402 30.707 30.300 0.010 0.000 1.049 325 R HN 0.333 nan 8.270 nan 0.000 0.534 326 Q N -0.658 119.110 119.800 -0.053 0.000 2.189 326 Q HA 0.213 4.553 4.340 -0.001 0.000 0.223 326 Q C 0.755 176.723 176.000 -0.054 0.000 0.828 326 Q CA 0.563 56.336 55.803 -0.051 0.000 0.967 326 Q CB 1.759 30.462 28.738 -0.058 0.000 1.139 326 Q HN 0.467 nan 8.270 nan 0.000 0.497 327 G N 1.673 110.437 108.800 -0.061 0.000 2.155 327 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.257 327 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.257 327 G C 0.257 175.131 174.900 -0.044 0.000 0.983 327 G CA -0.069 44.996 45.100 -0.057 0.000 0.676 327 G HN 0.263 nan 8.290 nan 0.000 0.528 328 I N 2.417 122.961 120.570 -0.043 0.000 2.683 328 I HA 0.161 4.330 4.170 -0.001 0.000 0.286 328 I C -1.056 175.049 176.117 -0.020 0.000 1.175 328 I CA -2.307 58.974 61.300 -0.031 0.000 1.429 328 I CB -0.017 37.965 38.000 -0.030 0.000 1.371 328 I HN 0.050 nan 8.210 nan 0.000 0.569 329 P HA 0.203 nan 4.420 nan 0.000 0.274 329 P C -0.809 176.492 177.300 0.001 0.000 1.231 329 P CA -0.399 62.697 63.100 -0.006 0.000 0.790 329 P CB 1.020 32.715 31.700 -0.009 0.000 0.951 330 L N 2.379 123.606 121.223 0.007 0.000 2.289 330 L HA 0.189 4.528 4.340 -0.001 0.000 0.285 330 L C 1.793 178.660 176.870 -0.004 0.000 1.049 330 L CA -0.759 54.086 54.840 0.009 0.000 0.804 330 L CB 1.334 43.408 42.059 0.026 0.000 1.195 330 L HN 0.180 nan 8.230 nan 0.000 0.428 331 V N 0.477 120.381 119.914 -0.016 0.000 2.331 331 V HA 0.061 4.180 4.120 -0.001 0.000 0.242 331 V C 0.863 176.938 176.094 -0.032 0.000 1.034 331 V CA 1.119 63.401 62.300 -0.030 0.000 1.027 331 V CB -0.057 31.739 31.823 -0.045 0.000 0.667 331 V HN 0.905 nan 8.190 nan 0.000 0.457 332 T N -1.440 113.091 114.554 -0.038 0.000 2.693 332 T HA 0.491 4.841 4.350 -0.001 0.000 0.304 332 T C -0.711 173.972 174.700 -0.028 0.000 1.471 332 T CA 0.174 62.255 62.100 -0.032 0.000 0.993 332 T CB 1.684 70.525 68.868 -0.045 0.000 1.554 332 T HN 0.554 nan 8.240 nan 0.000 0.496 333 S N 0.275 115.974 115.700 -0.000 0.000 2.748 333 S HA 0.600 5.070 4.470 -0.001 0.000 0.299 333 S C 1.041 175.671 174.600 0.050 0.000 1.119 333 S CA -0.499 57.726 58.200 0.043 0.000 0.997 333 S CB 0.370 63.617 63.200 0.078 0.000 1.223 333 S HN 0.675 nan 8.310 nan 0.000 0.541 334 F N 1.860 121.817 119.950 0.011 0.000 2.024 334 F HA -0.182 4.345 4.527 -0.000 0.000 0.296 334 F C 2.605 178.414 175.800 0.015 0.000 1.137 334 F CA 2.522 60.542 58.000 0.033 0.000 1.200 334 F CB -1.226 37.822 39.000 0.080 0.000 0.954 334 F HN 0.685 nan 8.300 nan 0.000 0.497 335 A N -0.699 121.987 122.820 -0.223 0.000 2.032 335 A HA -0.197 4.123 4.320 -0.001 0.000 0.221 335 A C 1.939 179.382 177.584 -0.234 0.000 1.165 335 A CA 2.110 53.913 52.037 -0.389 0.000 0.645 335 A CB -1.247 17.660 19.000 -0.154 0.000 0.807 335 A HN 0.566 nan 8.150 nan 0.000 0.453 336 S N -0.573 115.100 115.700 -0.046 0.000 2.601 336 S HA 0.140 4.610 4.470 -0.001 0.000 0.244 336 S C 1.302 175.866 174.600 -0.060 0.000 1.001 336 S CA 0.200 58.442 58.200 0.070 0.000 0.984 336 S CB -0.140 63.130 63.200 0.117 0.000 0.842 336 S HN 0.788 nan 8.310 nan 0.000 0.474 337 Q N 1.932 121.628 119.800 -0.174 0.000 2.135 337 Q HA -0.183 4.156 4.340 -0.001 0.000 0.204 337 Q C 1.333 177.255 176.000 -0.131 0.000 0.981 337 Q CA 1.734 57.415 55.803 -0.204 0.000 0.856 337 Q CB -0.702 27.854 28.738 -0.303 0.000 0.902 337 Q HN 0.656 nan 8.270 nan 0.000 0.425 338 E N 1.261 121.406 120.200 -0.092 0.000 2.072 338 E HA -0.085 4.265 4.350 -0.001 0.000 0.191 338 E C 2.125 178.689 176.600 -0.059 0.000 0.985 338 E CA 1.035 57.404 56.400 -0.052 0.000 0.801 338 E CB -0.111 29.581 29.700 -0.013 0.000 0.750 338 E HN 0.333 nan 8.360 nan 0.000 0.452 339 L N 0.732 121.932 121.223 -0.039 0.000 2.131 339 L HA -0.185 4.155 4.340 -0.001 0.000 0.210 339 L C 2.545 179.352 176.870 -0.104 0.000 1.092 339 L CA 0.771 55.574 54.840 -0.061 0.000 0.759 339 L CB -0.492 41.538 42.059 -0.048 0.000 0.903 339 L HN 0.173 nan 8.230 nan 0.000 0.435 340 A N 0.460 123.218 122.820 -0.105 0.000 1.940 340 A HA -0.188 4.131 4.320 -0.001 0.000 0.219 340 A C 2.180 179.665 177.584 -0.165 0.000 1.176 340 A CA 1.538 53.505 52.037 -0.117 0.000 0.631 340 A CB -0.590 18.343 19.000 -0.111 0.000 0.814 340 A HN 0.394 nan 8.150 nan 0.000 0.446 341 I N -0.782 119.673 120.570 -0.192 0.000 2.394 341 I HA -0.251 3.918 4.170 -0.001 0.000 0.251 341 I C 2.011 177.763 176.117 -0.608 0.000 1.136 341 I CA 0.666 61.797 61.300 -0.281 0.000 1.425 341 I CB -0.422 37.470 38.000 -0.180 0.000 1.079 341 I HN 0.317 nan 8.210 nan 0.000 0.425 342 C N 1.076 120.055 119.300 -0.536 0.000 2.443 342 C HA -0.101 4.359 4.460 -0.001 0.000 0.290 342 C C 2.958 177.662 174.990 -0.478 0.000 1.476 342 C CA 1.501 60.093 59.018 -0.711 0.000 1.772 342 C CB -1.677 25.943 27.740 -0.200 0.000 1.714 342 C HN 0.617 nan 8.230 nan 0.000 0.562 343 T N -2.417 111.953 114.554 -0.307 0.000 2.995 343 T HA 0.155 4.505 4.350 -0.001 0.000 0.269 343 T C 1.763 176.390 174.700 -0.121 0.000 1.091 343 T CA 1.507 63.532 62.100 -0.125 0.000 1.128 343 T CB -0.341 68.468 68.868 -0.099 0.000 0.891 343 T HN 0.871 nan 8.240 nan 0.000 0.492 344 G N 0.842 109.477 108.800 -0.276 0.000 2.184 344 G HA2 -0.164 3.796 3.960 -0.001 0.000 0.264 344 G HA3 -0.164 3.796 3.960 -0.001 0.000 0.264 344 G C 0.818 175.707 174.900 -0.017 0.000 0.975 344 G CA 0.063 45.113 45.100 -0.084 0.000 0.642 344 G HN 1.282 nan 8.290 nan 0.000 0.536 345 A N -0.294 122.497 122.820 -0.049 0.000 2.390 345 A HA 0.641 4.961 4.320 -0.001 0.000 0.232 345 A C 0.833 178.419 177.584 0.004 0.000 1.233 345 A CA 0.107 52.143 52.037 -0.003 0.000 0.907 345 A CB 0.208 19.205 19.000 -0.006 0.000 0.967 345 A HN 0.446 nan 8.150 nan 0.000 0.512 346 I N 1.741 122.288 120.570 -0.039 0.000 2.379 346 I HA 0.105 4.275 4.170 -0.001 0.000 0.290 346 I C 0.018 176.126 176.117 -0.015 0.000 1.063 346 I CA -0.059 61.215 61.300 -0.043 0.000 1.351 346 I CB 0.411 38.355 38.000 -0.093 0.000 1.410 346 I HN 0.209 nan 8.210 nan 0.000 0.505 347 D N 5.083 125.491 120.400 0.013 0.000 2.240 347 D HA 0.172 4.812 4.640 -0.001 0.000 0.206 347 D C 0.656 176.923 176.300 -0.054 0.000 0.963 347 D CA 0.765 54.789 54.000 0.040 0.000 0.863 347 D CB 0.915 41.803 40.800 0.147 0.000 0.973 347 D HN 0.622 nan 8.370 nan 0.000 0.501 348 A N 0.381 123.095 122.820 -0.176 0.000 2.540 348 A HA 0.562 4.881 4.320 -0.001 0.000 0.297 348 A C -1.389 175.883 177.584 -0.520 0.000 1.056 348 A CA -0.604 51.215 52.037 -0.363 0.000 0.700 348 A CB 1.619 20.332 19.000 -0.478 0.000 1.280 348 A HN 0.050 nan 8.150 nan 0.000 0.398 349 M N 3.204 122.573 119.600 -0.385 0.000 2.046 349 M HA 0.454 4.934 4.480 -0.001 0.000 0.309 349 M C -1.283 174.859 176.300 -0.264 0.000 0.935 349 M CA -0.332 54.793 55.300 -0.292 0.000 0.915 349 M CB 0.701 33.226 32.600 -0.124 0.000 1.474 349 M HN 0.814 nan 8.290 nan 0.000 0.415 350 C N 5.184 124.289 119.300 -0.325 0.000 2.325 350 C HA 0.775 5.234 4.460 -0.001 0.000 0.347 350 C C -0.393 174.581 174.990 -0.026 0.000 1.263 350 C CA -0.237 58.701 59.018 -0.133 0.000 1.806 350 C CB 0.542 28.296 27.740 0.023 0.000 2.405 350 C HN 0.787 nan 8.230 nan 0.000 0.537 351 V N 5.924 125.822 119.914 -0.027 0.000 3.001 351 V HA 0.587 4.706 4.120 -0.001 0.000 0.314 351 V C -0.190 175.879 176.094 -0.042 0.000 1.099 351 V CA -0.169 62.107 62.300 -0.040 0.000 0.989 351 V CB 2.451 34.236 31.823 -0.062 0.000 1.040 351 V HN 1.042 nan 8.190 nan 0.000 0.434 352 D N 3.109 123.479 120.400 -0.050 0.000 3.012 352 D HA 0.353 4.993 4.640 -0.001 0.000 0.230 352 D C 0.131 176.436 176.300 0.007 0.000 1.477 352 D CA 0.868 54.860 54.000 -0.014 0.000 1.329 352 D CB 0.248 41.036 40.800 -0.020 0.000 0.951 352 D HN 0.670 nan 8.370 nan 0.000 0.224 353 V N -3.574 116.349 119.914 0.014 0.000 3.007 353 V HA 0.661 4.780 4.120 -0.001 0.000 0.311 353 V C -1.561 174.536 176.094 0.005 0.000 1.120 353 V CA -1.078 61.227 62.300 0.008 0.000 0.980 353 V CB 1.053 32.883 31.823 0.010 0.000 1.033 353 V HN 0.556 nan 8.190 nan 0.000 0.429 354 Q N 0.862 120.634 119.800 -0.046 0.000 3.203 354 Q HA -0.127 4.212 4.340 -0.001 0.000 0.033 354 Q C 0.245 176.274 176.000 0.047 0.000 1.693 354 Q CA 0.223 55.961 55.803 -0.109 0.000 0.254 354 Q CB -1.325 27.133 28.738 -0.467 0.000 0.583 354 Q HN 1.987 nan 8.270 nan 0.000 0.322 355 C N 0.946 120.288 119.300 0.070 0.000 4.365 355 C HA -0.200 4.259 4.460 -0.001 0.000 0.299 355 C C 0.521 175.768 174.990 0.429 0.000 1.409 355 C CA 0.792 59.957 59.018 0.245 0.000 2.007 355 C CB -2.296 25.583 27.740 0.232 0.000 1.264 355 C HN 0.503 nan 8.230 nan 0.000 0.777 356 I N 0.352 121.049 120.570 0.211 0.000 2.328 356 I HA 0.279 4.448 4.170 -0.001 0.000 0.287 356 I C 0.570 176.794 176.117 0.179 0.000 1.012 356 I CA -0.121 61.266 61.300 0.146 0.000 1.195 356 I CB 0.777 38.749 38.000 -0.047 0.000 1.350 356 I HN 0.228 nan 8.210 nan 0.000 0.464 357 M N 8.869 128.585 119.600 0.194 0.000 2.364 357 M HA 0.108 4.588 4.480 -0.001 0.000 0.342 357 M C -1.192 175.152 176.300 0.073 0.000 1.601 357 M CA -1.192 54.169 55.300 0.102 0.000 1.156 357 M CB 0.422 33.025 32.600 0.004 0.000 1.912 357 M HN 0.327 nan 8.290 nan 0.000 0.460 358 P HA -0.112 nan 4.420 nan 0.000 0.228 358 P C 0.782 178.103 177.300 0.036 0.000 1.151 358 P CA 1.105 64.233 63.100 0.046 0.000 0.770 358 P CB -0.096 31.627 31.700 0.038 0.000 0.786 359 S N 0.408 116.126 115.700 0.031 0.000 2.507 359 S HA -0.107 4.362 4.470 -0.001 0.000 0.235 359 S C 2.029 176.644 174.600 0.024 0.000 0.988 359 S CA 0.631 58.845 58.200 0.023 0.000 0.944 359 S CB -1.596 61.615 63.200 0.018 0.000 0.762 359 S HN 0.329 nan 8.310 nan 0.000 0.526 360 I N 1.559 122.145 120.570 0.027 0.000 2.454 360 I HA -0.151 4.019 4.170 -0.001 0.000 0.254 360 I C 2.387 178.516 176.117 0.021 0.000 1.156 360 I CA 1.368 62.683 61.300 0.024 0.000 1.433 360 I CB -1.023 36.997 38.000 0.033 0.000 1.082 360 I HN 0.418 nan 8.210 nan 0.000 0.432 361 S N 2.067 117.780 115.700 0.022 0.000 2.387 361 S HA 0.050 4.519 4.470 -0.001 0.000 0.226 361 S C 2.254 176.860 174.600 0.011 0.000 1.026 361 S CA 0.634 58.843 58.200 0.015 0.000 0.972 361 S CB -0.535 62.680 63.200 0.025 0.000 0.814 361 S HN 0.559 nan 8.310 nan 0.000 0.477 362 A N 1.310 124.139 122.820 0.014 0.000 1.929 362 A HA 0.180 4.500 4.320 -0.001 0.000 0.216 362 A C 2.362 179.953 177.584 0.011 0.000 1.176 362 A CA 1.333 53.374 52.037 0.006 0.000 0.628 362 A CB -0.897 18.108 19.000 0.008 0.000 0.816 362 A HN 0.432 nan 8.150 nan 0.000 0.444 363 V N -0.186 119.750 119.914 0.037 0.000 2.379 363 V HA -0.180 3.939 4.120 -0.001 0.000 0.245 363 V C 3.030 179.208 176.094 0.140 0.000 1.044 363 V CA 1.729 64.082 62.300 0.089 0.000 1.036 363 V CB -1.118 30.758 31.823 0.089 0.000 0.664 363 V HN 0.576 nan 8.190 nan 0.000 0.453 364 A N -0.475 122.394 122.820 0.082 0.000 1.978 364 A HA -0.281 4.038 4.320 -0.001 0.000 0.220 364 A C 2.232 179.826 177.584 0.016 0.000 1.170 364 A CA 1.931 54.014 52.037 0.077 0.000 0.636 364 A CB -0.545 18.458 19.000 0.006 0.000 0.810 364 A HN 0.631 nan 8.150 nan 0.000 0.448 365 E N -0.729 119.448 120.200 -0.039 0.000 2.265 365 E HA -0.189 4.161 4.350 -0.001 0.000 0.196 365 E C 1.443 177.889 176.600 -0.257 0.000 0.996 365 E CA 1.325 57.651 56.400 -0.124 0.000 0.832 365 E CB -0.257 29.396 29.700 -0.079 0.000 0.756 365 E HN 0.685 nan 8.360 nan 0.000 0.491 366 C N -0.270 118.885 119.300 -0.241 0.000 2.514 366 C HA 0.025 4.485 4.460 -0.001 0.000 0.271 366 C C 1.056 175.619 174.990 -0.710 0.000 1.399 366 C CA -0.058 58.667 59.018 -0.489 0.000 1.765 366 C CB -0.872 26.525 27.740 -0.572 0.000 1.893 366 C HN 0.469 nan 8.230 nan 0.000 0.531 367 Y N -1.777 118.402 120.300 -0.202 0.000 2.626 367 Y HA 0.247 4.796 4.550 -0.001 0.000 0.248 367 Y C 0.824 176.691 175.900 -0.055 0.000 1.147 367 Y CA -0.381 57.651 58.100 -0.113 0.000 1.219 367 Y CB -0.713 37.721 38.460 -0.043 0.000 1.279 367 Y HN 0.313 nan 8.280 nan 0.000 0.541 368 H N -0.484 118.630 119.070 0.073 0.000 2.791 368 H HA -0.151 4.404 4.556 -0.001 0.000 0.302 368 H C -0.205 175.132 175.328 0.014 0.000 1.198 368 H CA 1.054 57.118 56.048 0.026 0.000 1.145 368 H CB -1.773 27.997 29.762 0.013 0.000 1.385 368 H HN 0.218 nan 8.280 nan 0.000 0.409 369 T N 1.816 116.413 114.554 0.072 0.000 2.909 369 T HA 0.383 4.733 4.350 -0.001 0.000 0.286 369 T C 1.032 175.691 174.700 -0.068 0.000 1.002 369 T CA -0.828 61.276 62.100 0.007 0.000 1.074 369 T CB 1.500 70.361 68.868 -0.011 0.000 0.984 369 T HN 0.122 nan 8.240 nan 0.000 0.495 370 R N 2.708 123.131 120.500 -0.128 0.000 2.202 370 R HA 0.361 4.701 4.340 -0.001 0.000 0.334 370 R C -0.447 175.724 176.300 -0.216 0.000 1.036 370 R CA -0.604 55.349 56.100 -0.245 0.000 0.878 370 R CB 0.569 30.698 30.300 -0.286 0.000 1.067 370 R HN 0.459 nan 8.270 nan 0.000 0.457 371 I N 5.484 125.941 120.570 -0.188 0.000 2.353 371 I HA 0.362 4.532 4.170 -0.001 0.000 0.293 371 I C 0.553 176.625 176.117 -0.074 0.000 0.992 371 I CA -0.766 60.470 61.300 -0.107 0.000 1.268 371 I CB 1.014 38.989 38.000 -0.042 0.000 1.387 371 I HN 0.441 nan 8.210 nan 0.000 0.478 372 I N 5.676 126.218 120.570 -0.046 0.000 2.439 372 I HA 0.201 4.371 4.170 -0.001 0.000 0.283 372 I C 0.407 176.547 176.117 0.039 0.000 1.023 372 I CA -0.497 60.819 61.300 0.026 0.000 1.100 372 I CB 1.893 39.903 38.000 0.016 0.000 1.238 372 I HN 0.566 nan 8.210 nan 0.000 0.445 373 T N 0.323 114.939 114.554 0.103 0.000 2.899 373 T HA 0.441 4.790 4.350 -0.001 0.000 0.284 373 T C 0.764 175.482 174.700 0.030 0.000 1.004 373 T CA -0.038 62.143 62.100 0.136 0.000 1.043 373 T CB 1.748 70.793 68.868 0.294 0.000 1.013 373 T HN 0.737 nan 8.240 nan 0.000 0.518 374 T N -2.974 111.606 114.554 0.042 0.000 3.046 374 T HA 0.507 4.857 4.350 -0.001 0.000 0.270 374 T C 0.554 175.342 174.700 0.147 0.000 0.920 374 T CA 0.044 62.122 62.100 -0.037 0.000 0.874 374 T CB -0.012 68.792 68.868 -0.107 0.000 1.214 374 T HN 1.003 nan 8.240 nan 0.000 0.536 375 A N 2.311 125.271 122.820 0.233 0.000 2.306 375 A HA 0.595 4.915 4.320 -0.001 0.000 0.314 375 A C 0.916 178.644 177.584 0.241 0.000 1.164 375 A CA -0.208 51.960 52.037 0.218 0.000 0.822 375 A CB 0.754 19.836 19.000 0.136 0.000 1.130 375 A HN 0.357 nan 8.150 nan 0.000 0.496 376 D N 0.381 120.870 120.400 0.149 0.000 2.348 376 D HA -0.168 4.472 4.640 -0.001 0.000 0.216 376 D C 0.613 176.910 176.300 -0.004 0.000 0.970 376 D CA 1.364 55.405 54.000 0.069 0.000 0.889 376 D CB -0.411 40.412 40.800 0.038 0.000 0.912 376 D HN 0.732 nan 8.370 nan 0.000 0.524 377 N N -0.341 118.363 118.700 0.006 0.000 2.234 377 N HA 0.321 5.061 4.740 -0.001 0.000 0.227 377 N C -0.294 175.213 175.510 -0.005 0.000 1.151 377 N CA -0.459 52.583 53.050 -0.014 0.000 0.865 377 N CB 0.805 39.279 38.487 -0.022 0.000 1.066 377 N HN 0.145 nan 8.380 nan 0.000 0.515 378 A N 1.261 124.088 122.820 0.011 0.000 2.872 378 A HA 0.338 4.658 4.320 -0.001 0.000 0.305 378 A C -0.887 176.711 177.584 0.023 0.000 1.171 378 A CA -0.718 51.328 52.037 0.016 0.000 0.782 378 A CB 0.627 19.644 19.000 0.027 0.000 1.329 378 A HN 0.131 nan 8.150 nan 0.000 0.432 379 K N 0.831 121.218 120.400 -0.023 0.000 2.208 379 K HA 0.818 5.137 4.320 -0.001 0.000 0.247 379 K C -1.071 175.527 176.600 -0.003 0.000 0.953 379 K CA -0.614 55.648 56.287 -0.042 0.000 0.837 379 K CB 2.419 34.813 32.500 -0.176 0.000 1.131 379 K HN 0.553 nan 8.250 nan 0.000 0.431 380 I N 2.862 123.448 120.570 0.027 0.000 2.468 380 I HA 0.253 4.423 4.170 -0.001 0.000 0.284 380 I C -2.440 173.702 176.117 0.041 0.000 1.038 380 I CA -2.424 58.896 61.300 0.034 0.000 1.083 380 I CB 1.896 39.924 38.000 0.048 0.000 1.223 380 I HN 0.265 nan 8.210 nan 0.000 0.443 381 P HA 0.152 nan 4.420 nan 0.000 0.266 381 P C 0.917 178.245 177.300 0.048 0.000 1.195 381 P CA 0.704 63.824 63.100 0.033 0.000 0.768 381 P CB 0.739 32.450 31.700 0.019 0.000 0.838 382 G N 1.147 109.986 108.800 0.066 0.000 2.258 382 G HA2 -0.135 3.824 3.960 -0.001 0.000 0.233 382 G HA3 -0.135 3.824 3.960 -0.001 0.000 0.233 382 G C 0.313 175.275 174.900 0.103 0.000 1.006 382 G CA 0.017 45.161 45.100 0.073 0.000 0.620 382 G HN 0.871 nan 8.290 nan 0.000 0.511 383 A N -0.045 122.844 122.820 0.114 0.000 2.312 383 A HA 0.750 5.070 4.320 -0.001 0.000 0.328 383 A C -0.023 177.724 177.584 0.272 0.000 1.158 383 A CA -0.600 51.520 52.037 0.137 0.000 0.821 383 A CB 0.620 19.678 19.000 0.096 0.000 1.170 383 A HN 0.533 nan 8.150 nan 0.000 0.490 384 Y N 0.434 120.773 120.300 0.065 0.000 2.480 384 Y HA 0.158 4.708 4.550 -0.001 0.000 0.338 384 Y C 0.653 176.621 175.900 0.115 0.000 1.220 384 Y CA 0.427 58.574 58.100 0.077 0.000 1.430 384 Y CB 0.568 39.059 38.460 0.052 0.000 1.311 384 Y HN 0.855 nan 8.280 nan 0.000 0.575 385 H N 3.323 122.489 119.070 0.161 0.000 2.529 385 H HA 0.511 5.066 4.556 -0.001 0.000 0.348 385 H C -1.355 174.032 175.328 0.098 0.000 1.079 385 H CA -0.618 55.495 56.048 0.110 0.000 1.198 385 H CB 0.889 30.694 29.762 0.072 0.000 1.521 385 H HN 0.503 nan 8.280 nan 0.000 0.514 386 I N 3.778 124.003 120.570 -0.574 0.000 2.406 386 I HA 0.114 4.284 4.170 -0.001 0.000 0.290 386 I C -0.418 175.439 176.117 -0.433 0.000 0.999 386 I CA -0.846 60.273 61.300 -0.301 0.000 1.124 386 I CB 1.596 39.560 38.000 -0.060 0.000 1.289 386 I HN 0.644 nan 8.210 nan 0.000 0.441 387 D N 6.247 126.567 120.400 -0.134 0.000 2.498 387 D HA -0.035 4.604 4.640 -0.001 0.000 0.229 387 D C -0.460 175.904 176.300 0.106 0.000 1.188 387 D CA -0.084 53.944 54.000 0.046 0.000 1.028 387 D CB -0.134 40.735 40.800 0.115 0.000 1.087 387 D HN 0.206 nan 8.370 nan 0.000 0.510 388 Y N 2.904 123.200 120.300 -0.007 0.000 2.650 388 Y HA 0.113 4.662 4.550 -0.001 0.000 0.331 388 Y C 0.029 175.988 175.900 0.098 0.000 1.165 388 Y CA 0.490 58.621 58.100 0.052 0.000 1.473 388 Y CB 0.278 38.779 38.460 0.068 0.000 1.224 388 Y HN 0.300 nan 8.280 nan 0.000 0.533 389 Q N 3.611 123.255 119.800 -0.261 0.000 2.356 389 Q HA 0.180 4.520 4.340 -0.001 0.000 0.270 389 Q C 1.017 176.853 176.000 -0.273 0.000 1.058 389 Q CA -0.003 55.707 55.803 -0.155 0.000 0.802 389 Q CB 1.955 30.661 28.738 -0.053 0.000 1.303 389 Q HN 0.844 nan 8.270 nan 0.000 0.444 390 T N -1.380 113.115 114.554 -0.099 0.000 2.737 390 T HA -0.220 4.130 4.350 -0.001 0.000 0.269 390 T C 1.774 176.502 174.700 0.047 0.000 1.040 390 T CA 1.537 63.620 62.100 -0.028 0.000 1.142 390 T CB -0.162 68.657 68.868 -0.082 0.000 0.861 390 T HN 0.631 nan 8.240 nan 0.000 0.456 391 A N 1.937 124.759 122.820 0.004 0.000 2.019 391 A HA 0.035 4.355 4.320 -0.001 0.000 0.219 391 A C 2.230 179.814 177.584 -0.000 0.000 1.164 391 A CA 1.721 53.767 52.037 0.014 0.000 0.644 391 A CB -0.828 18.176 19.000 0.006 0.000 0.805 391 A HN 0.779 nan 8.150 nan 0.000 0.449 392 T N -4.503 110.023 114.554 -0.046 0.000 3.415 392 T HA 0.628 4.977 4.350 -0.001 0.000 0.282 392 T C 1.087 175.732 174.700 -0.093 0.000 1.007 392 T CA 0.474 62.545 62.100 -0.048 0.000 0.958 392 T CB 0.399 69.247 68.868 -0.033 0.000 1.171 392 T HN 0.442 nan 8.240 nan 0.000 0.500 393 A N 1.781 124.524 122.820 -0.129 0.000 1.892 393 A HA -0.035 4.285 4.320 -0.001 0.000 0.218 393 A C 2.084 179.684 177.584 0.027 0.000 1.188 393 A CA 1.664 53.598 52.037 -0.172 0.000 0.631 393 A CB -0.744 18.244 19.000 -0.022 0.000 0.822 393 A HN 0.560 nan 8.150 nan 0.000 0.447 394 I N 0.360 120.922 120.570 -0.014 0.000 2.163 394 I HA -0.260 3.909 4.170 -0.001 0.000 0.243 394 I C 2.215 178.344 176.117 0.021 0.000 1.085 394 I CA 2.224 63.520 61.300 -0.007 0.000 1.347 394 I CB -0.499 37.478 38.000 -0.039 0.000 1.044 394 I HN 0.518 nan 8.210 nan 0.000 0.408 395 E N -0.399 119.812 120.200 0.017 0.000 2.077 395 E HA -0.195 4.154 4.350 -0.001 0.000 0.193 395 E C 2.268 178.906 176.600 0.062 0.000 0.989 395 E CA 1.625 58.042 56.400 0.028 0.000 0.800 395 E CB -0.276 29.435 29.700 0.018 0.000 0.746 395 E HN 0.446 nan 8.360 nan 0.000 0.452 396 S N 0.672 116.432 115.700 0.099 0.000 2.368 396 S HA -0.153 4.317 4.470 -0.001 0.000 0.225 396 S C 2.125 176.836 174.600 0.185 0.000 1.030 396 S CA 0.940 59.246 58.200 0.177 0.000 0.999 396 S CB -0.197 63.197 63.200 0.324 0.000 0.844 396 S HN 0.396 nan 8.310 nan 0.000 0.459 397 A N 1.758 124.689 122.820 0.186 0.000 1.902 397 A HA -0.138 4.181 4.320 -0.001 0.000 0.217 397 A C 2.043 179.640 177.584 0.022 0.000 1.181 397 A CA 1.532 53.624 52.037 0.092 0.000 0.623 397 A CB -0.430 18.603 19.000 0.054 0.000 0.818 397 A HN 0.450 nan 8.150 nan 0.000 0.443 398 K N -0.969 119.444 120.400 0.022 0.000 2.097 398 K HA -0.078 4.242 4.320 -0.001 0.000 0.205 398 K C 2.087 178.711 176.600 0.040 0.000 1.050 398 K CA 1.635 57.925 56.287 0.005 0.000 0.938 398 K CB -0.357 32.144 32.500 0.003 0.000 0.718 398 K HN 0.461 nan 8.250 nan 0.000 0.442 399 T N 1.076 115.671 114.554 0.067 0.000 2.746 399 T HA -0.159 4.190 4.350 -0.001 0.000 0.267 399 T C 1.981 176.759 174.700 0.129 0.000 1.039 399 T CA 1.434 63.588 62.100 0.089 0.000 1.142 399 T CB -0.241 68.680 68.868 0.090 0.000 0.866 399 T HN 0.332 nan 8.240 nan 0.000 0.444 400 A N 1.117 124.029 122.820 0.154 0.000 1.877 400 A HA -0.020 4.299 4.320 -0.001 0.000 0.216 400 A C 2.292 180.080 177.584 0.340 0.000 1.186 400 A CA 1.247 53.432 52.037 0.248 0.000 0.620 400 A CB -0.798 18.381 19.000 0.299 0.000 0.822 400 A HN 0.517 nan 8.150 nan 0.000 0.443 401 I N -0.801 119.875 120.570 0.177 0.000 2.226 401 I HA -0.279 3.890 4.170 -0.001 0.000 0.245 401 I C 2.737 178.937 176.117 0.138 0.000 1.100 401 I CA 1.332 62.690 61.300 0.097 0.000 1.374 401 I CB -0.341 37.579 38.000 -0.134 0.000 1.057 401 I HN 0.301 nan 8.210 nan 0.000 0.413 402 R N 0.203 120.764 120.500 0.102 0.000 2.120 402 R HA -0.136 4.203 4.340 -0.001 0.000 0.234 402 R C 2.285 178.663 176.300 0.129 0.000 1.123 402 R CA 1.319 57.477 56.100 0.096 0.000 0.975 402 R CB -0.302 30.044 30.300 0.077 0.000 0.866 402 R HN 0.401 nan 8.270 nan 0.000 0.446 403 M N -0.105 119.592 119.600 0.161 0.000 2.132 403 M HA -0.103 4.376 4.480 -0.001 0.000 0.263 403 M C 2.528 178.909 176.300 0.134 0.000 1.065 403 M CA 1.673 57.068 55.300 0.159 0.000 1.122 403 M CB -0.289 32.418 32.600 0.178 0.000 1.365 403 M HN 0.200 nan 8.290 nan 0.000 0.411 404 A N 0.666 123.595 122.820 0.182 0.000 1.902 404 A HA -0.126 4.194 4.320 -0.001 0.000 0.217 404 A C 2.068 179.760 177.584 0.180 0.000 1.181 404 A CA 1.403 53.547 52.037 0.178 0.000 0.623 404 A CB -0.879 18.340 19.000 0.365 0.000 0.818 404 A HN 0.451 nan 8.150 nan 0.000 0.443 405 I N -0.357 120.310 120.570 0.160 0.000 2.226 405 I HA -0.219 3.951 4.170 -0.001 0.000 0.245 405 I C 2.418 178.653 176.117 0.196 0.000 1.100 405 I CA 1.216 62.608 61.300 0.153 0.000 1.374 405 I CB -0.321 37.732 38.000 0.088 0.000 1.057 405 I HN 0.293 nan 8.210 nan 0.000 0.413 406 E N 0.922 121.209 120.200 0.145 0.000 2.110 406 E HA -0.179 4.170 4.350 -0.001 0.000 0.193 406 E C 2.330 178.996 176.600 0.111 0.000 0.988 406 E CA 1.417 57.889 56.400 0.120 0.000 0.804 406 E CB -0.270 29.493 29.700 0.104 0.000 0.745 406 E HN 0.498 nan 8.360 nan 0.000 0.458 407 A N 0.583 123.471 122.820 0.114 0.000 1.969 407 A HA -0.150 4.169 4.320 -0.001 0.000 0.218 407 A C 2.022 179.673 177.584 0.111 0.000 1.169 407 A CA 0.939 53.028 52.037 0.087 0.000 0.635 407 A CB -0.662 18.376 19.000 0.064 0.000 0.810 407 A HN 0.264 nan 8.150 nan 0.000 0.445 408 F N 0.855 120.820 119.950 0.027 0.000 2.075 408 F HA -0.124 4.402 4.527 -0.000 0.000 0.297 408 F C 2.132 177.943 175.800 0.017 0.000 1.113 408 F CA 2.112 60.127 58.000 0.024 0.000 1.218 408 F CB -0.287 38.731 39.000 0.030 0.000 0.984 408 F HN 0.109 nan 8.300 nan 0.000 0.472 409 K N 0.248 120.672 120.400 0.040 0.000 2.044 409 K HA -0.235 4.085 4.320 -0.001 0.000 0.210 409 K C 1.976 178.496 176.600 -0.134 0.000 1.049 409 K CA 2.212 58.458 56.287 -0.068 0.000 0.927 409 K CB -0.427 32.104 32.500 0.052 0.000 0.713 409 K HN 0.419 nan 8.250 nan 0.000 0.443 410 E N 0.266 120.420 120.200 -0.078 0.000 2.118 410 E HA -0.229 4.121 4.350 -0.001 0.000 0.195 410 E C 2.153 178.675 176.600 -0.130 0.000 0.992 410 E CA 0.971 57.313 56.400 -0.097 0.000 0.804 410 E CB -0.056 29.596 29.700 -0.079 0.000 0.741 410 E HN 0.234 nan 8.360 nan 0.000 0.458 411 R N 1.212 121.625 120.500 -0.144 0.000 2.070 411 R HA -0.143 4.197 4.340 -0.001 0.000 0.233 411 R C 2.090 178.271 176.300 -0.199 0.000 1.137 411 R CA 1.344 57.360 56.100 -0.141 0.000 0.945 411 R CB 0.123 30.342 30.300 -0.136 0.000 0.845 411 R HN -0.113 nan 8.270 nan 0.000 0.430 412 K N 1.146 121.336 120.400 -0.351 0.000 2.026 412 K HA -0.181 4.139 4.320 -0.001 0.000 0.208 412 K C 1.675 178.171 176.600 -0.172 0.000 1.048 412 K CA 2.009 58.111 56.287 -0.308 0.000 0.929 412 K CB -0.420 31.803 32.500 -0.461 0.000 0.713 412 K HN 0.623 nan 8.250 nan 0.000 0.439 413 E N 1.516 121.625 120.200 -0.152 0.000 2.461 413 E HA -0.035 4.315 4.350 -0.001 0.000 0.196 413 E C 0.039 176.591 176.600 -0.081 0.000 1.129 413 E CA -0.081 56.261 56.400 -0.095 0.000 0.902 413 E CB -0.062 29.592 29.700 -0.077 0.000 0.963 413 E HN 0.139 nan 8.360 nan 0.000 0.503 414 S N -0.072 115.577 115.700 -0.085 0.000 2.745 414 S HA 0.191 4.660 4.470 -0.001 0.000 0.306 414 S C -0.309 174.265 174.600 -0.043 0.000 1.137 414 S CA -1.039 57.122 58.200 -0.065 0.000 0.900 414 S CB 0.931 64.084 63.200 -0.078 0.000 1.176 414 S HN 0.257 nan 8.310 nan 0.000 0.520 415 N N 0.859 119.543 118.700 -0.026 0.000 3.050 415 N HA 0.101 4.841 4.740 -0.001 0.000 0.289 415 N C 0.050 175.564 175.510 0.005 0.000 1.209 415 N CA -0.589 52.455 53.050 -0.010 0.000 1.154 415 N CB -0.117 38.367 38.487 -0.005 0.000 1.444 415 N HN 0.522 nan 8.380 nan 0.000 0.529 416 R N 1.772 122.272 120.500 -0.000 0.000 2.893 416 R HA 0.270 4.610 4.340 -0.001 0.000 0.243 416 R C -2.283 174.040 176.300 0.039 0.000 1.481 416 R CA -1.340 54.772 56.100 0.021 0.000 1.250 416 R CB -0.148 30.147 30.300 -0.009 0.000 1.213 416 R HN 0.230 nan 8.270 nan 0.000 0.609 417 P HA 0.069 nan 4.420 nan 0.000 0.276 417 P C -0.680 176.679 177.300 0.099 0.000 1.253 417 P CA -0.262 62.881 63.100 0.071 0.000 0.766 417 P CB 1.489 33.231 31.700 0.070 0.000 0.845 418 V N 5.294 125.260 119.914 0.087 0.000 2.604 418 V HA 0.313 4.432 4.120 -0.001 0.000 0.305 418 V C -0.936 175.230 176.094 0.120 0.000 1.043 418 V CA -0.614 61.736 62.300 0.083 0.000 0.888 418 V CB 1.869 33.713 31.823 0.035 0.000 0.995 418 V HN 0.487 nan 8.190 nan 0.000 0.429 419 Y N 5.741 126.035 120.300 -0.011 0.000 2.349 419 Y HA 0.643 5.192 4.550 -0.001 0.000 0.324 419 Y C -0.635 175.246 175.900 -0.033 0.000 1.005 419 Y CA -0.739 57.351 58.100 -0.017 0.000 1.240 419 Y CB 1.280 39.731 38.460 -0.015 0.000 1.117 419 Y HN 0.538 nan 8.280 nan 0.000 0.463 420 I N 9.041 129.249 120.570 -0.602 0.000 2.354 420 I HA 0.351 4.520 4.170 -0.001 0.000 0.286 420 I C -2.361 173.418 176.117 -0.564 0.000 1.007 420 I CA -2.254 58.788 61.300 -0.431 0.000 1.167 420 I CB 1.503 39.367 38.000 -0.227 0.000 1.320 420 I HN 0.488 nan 8.210 nan 0.000 0.458 421 P HA -0.039 nan 4.420 nan 0.000 0.262 421 P C -0.492 176.709 177.300 -0.165 0.000 1.199 421 P CA -0.121 62.840 63.100 -0.232 0.000 0.763 421 P CB 0.321 31.993 31.700 -0.047 0.000 0.790 422 Q N 3.324 123.040 119.800 -0.140 0.000 3.179 422 Q HA 0.220 4.560 4.340 -0.001 0.000 0.328 422 Q C -0.005 175.966 176.000 -0.048 0.000 1.336 422 Q CA 0.314 56.063 55.803 -0.089 0.000 0.939 422 Q CB -0.473 28.219 28.738 -0.076 0.000 1.658 422 Q HN 0.532 nan 8.270 nan 0.000 0.486 423 I N 1.568 122.112 120.570 -0.043 0.000 2.436 423 I HA 0.407 4.576 4.170 -0.001 0.000 0.289 423 I C -0.208 175.898 176.117 -0.019 0.000 1.010 423 I CA -0.707 60.581 61.300 -0.021 0.000 1.098 423 I CB 1.584 39.578 38.000 -0.010 0.000 1.266 423 I HN 0.084 nan 8.210 nan 0.000 0.434 424 K N 4.331 124.725 120.400 -0.010 0.000 2.610 424 K HA 0.510 4.830 4.320 -0.001 0.000 0.278 424 K C -1.980 174.621 176.600 0.002 0.000 0.964 424 K CA -0.974 55.309 56.287 -0.006 0.000 0.859 424 K CB 1.974 34.466 32.500 -0.013 0.000 1.434 424 K HN 0.336 nan 8.250 nan 0.000 0.410 425 N N 1.079 119.783 118.700 0.007 0.000 2.265 425 N HA 0.321 5.061 4.740 -0.001 0.000 0.300 425 N C -1.261 174.257 175.510 0.013 0.000 1.148 425 N CA -0.839 52.219 53.050 0.014 0.000 0.772 425 N CB 2.439 40.940 38.487 0.023 0.000 1.434 425 N HN 0.607 nan 8.380 nan 0.000 0.481 426 R N 0.612 121.121 120.500 0.015 0.000 2.543 426 R HA 0.402 4.741 4.340 -0.001 0.000 0.277 426 R C -1.005 175.307 176.300 0.020 0.000 1.074 426 R CA -0.094 56.014 56.100 0.013 0.000 1.076 426 R CB 0.431 30.738 30.300 0.012 0.000 0.993 426 R HN 0.246 nan 8.270 nan 0.000 0.459 427 V N 4.688 124.613 119.914 0.019 0.000 2.789 427 V HA 0.405 4.525 4.120 -0.001 0.000 0.311 427 V C -0.956 175.152 176.094 0.024 0.000 1.073 427 V CA -0.815 61.504 62.300 0.031 0.000 0.921 427 V CB 2.310 34.158 31.823 0.042 0.000 1.009 427 V HN 0.562 nan 8.190 nan 0.000 0.426 428 V N 3.657 123.599 119.914 0.045 0.000 2.444 428 V HA 0.936 5.056 4.120 -0.001 0.000 0.294 428 V C 0.237 176.376 176.094 0.076 0.000 1.022 428 V CA 0.152 62.475 62.300 0.039 0.000 0.850 428 V CB 1.290 33.165 31.823 0.088 0.000 0.992 428 V HN 1.125 nan 8.190 nan 0.000 0.426 429 A N 3.206 125.986 122.820 -0.066 0.000 2.701 429 A HA 0.929 5.248 4.320 -0.001 0.000 0.290 429 A C 0.826 178.177 177.584 -0.388 0.000 1.267 429 A CA -0.169 51.807 52.037 -0.102 0.000 0.709 429 A CB 0.884 19.785 19.000 -0.166 0.000 1.352 429 A HN 2.040 nan 8.150 nan 0.000 0.519 430 G N -2.460 106.158 108.800 -0.303 0.000 2.137 430 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.237 430 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.237 430 G C -0.229 174.504 174.900 -0.279 0.000 1.002 430 G CA 0.377 45.300 45.100 -0.294 0.000 0.702 430 G HN 0.844 nan 8.290 nan 0.000 0.515 431 W N 2.742 124.111 121.300 0.115 0.000 1.864 431 W HA 0.531 5.191 4.660 -0.001 0.000 0.425 431 W C 1.316 177.945 176.519 0.183 0.000 0.791 431 W CA -0.221 57.246 57.345 0.202 0.000 1.650 431 W CB 0.056 29.723 29.460 0.346 0.000 1.791 431 W HN 0.462 nan 8.180 nan 0.000 0.266 432 S N 0.598 116.472 115.700 0.290 0.000 2.608 432 S HA 0.054 4.524 4.470 -0.001 0.000 0.261 432 S C 0.919 175.682 174.600 0.272 0.000 1.314 432 S CA -0.733 57.605 58.200 0.231 0.000 0.992 432 S CB 1.075 64.364 63.200 0.148 0.000 0.935 432 S HN 0.418 nan 8.310 nan 0.000 0.564 433 L N 0.664 122.016 121.223 0.216 0.000 2.141 433 L HA 0.036 4.376 4.340 -0.001 0.000 0.209 433 L C 2.191 179.170 176.870 0.182 0.000 1.094 433 L CA 1.838 56.799 54.840 0.202 0.000 0.763 433 L CB -1.368 40.790 42.059 0.164 0.000 0.908 433 L HN 0.811 nan 8.230 nan 0.000 0.437 434 E N -0.028 120.268 120.200 0.159 0.000 2.077 434 E HA -0.158 4.192 4.350 -0.001 0.000 0.193 434 E C 2.256 178.953 176.600 0.162 0.000 0.989 434 E CA 1.505 57.986 56.400 0.135 0.000 0.800 434 E CB -0.510 29.255 29.700 0.108 0.000 0.746 434 E HN 0.616 nan 8.360 nan 0.000 0.452 435 A N 0.511 123.454 122.820 0.205 0.000 1.898 435 A HA -0.123 4.196 4.320 -0.001 0.000 0.216 435 A C 2.191 180.021 177.584 0.409 0.000 1.181 435 A CA 1.028 53.221 52.037 0.261 0.000 0.620 435 A CB -0.632 18.497 19.000 0.215 0.000 0.819 435 A HN 0.184 nan 8.150 nan 0.000 0.442 436 L N -0.700 120.784 121.223 0.435 0.000 2.046 436 L HA -0.165 4.175 4.340 -0.001 0.000 0.208 436 L C 2.789 179.765 176.870 0.177 0.000 1.077 436 L CA 1.779 56.812 54.840 0.322 0.000 0.747 436 L CB -0.819 41.370 42.059 0.216 0.000 0.896 436 L HN 0.354 nan 8.230 nan 0.000 0.432 437 T N -0.820 113.826 114.554 0.154 0.000 2.746 437 T HA -0.218 4.132 4.350 -0.001 0.000 0.267 437 T C 1.902 176.661 174.700 0.098 0.000 1.039 437 T CA 1.457 63.617 62.100 0.099 0.000 1.142 437 T CB -0.098 68.825 68.868 0.091 0.000 0.866 437 T HN 0.073 nan 8.240 nan 0.000 0.444 438 K N 1.167 121.643 120.400 0.127 0.000 2.097 438 K HA 0.000 4.320 4.320 -0.001 0.000 0.206 438 K C 2.022 178.694 176.600 0.120 0.000 1.049 438 K CA 0.928 57.282 56.287 0.113 0.000 0.933 438 K CB -0.806 31.766 32.500 0.120 0.000 0.717 438 K HN 0.223 nan 8.250 nan 0.000 0.442 439 L N 0.544 121.871 121.223 0.174 0.000 2.017 439 L HA -0.033 4.306 4.340 -0.001 0.000 0.208 439 L C 1.909 178.817 176.870 0.063 0.000 1.073 439 L CA 1.681 56.618 54.840 0.162 0.000 0.745 439 L CB -0.471 41.741 42.059 0.255 0.000 0.894 439 L HN 0.256 nan 8.230 nan 0.000 0.432 440 L N -0.581 120.664 121.223 0.036 0.000 2.201 440 L HA -0.114 4.226 4.340 -0.001 0.000 0.212 440 L C 2.584 179.458 176.870 0.008 0.000 1.105 440 L CA 0.887 55.723 54.840 -0.007 0.000 0.775 440 L CB -0.887 41.164 42.059 -0.014 0.000 0.913 440 L HN 0.374 nan 8.230 nan 0.000 0.440 441 A N 0.195 123.033 122.820 0.029 0.000 2.070 441 A HA -0.192 4.127 4.320 -0.001 0.000 0.220 441 A C 2.384 179.980 177.584 0.021 0.000 1.159 441 A CA 1.914 53.967 52.037 0.027 0.000 0.656 441 A CB -0.840 18.183 19.000 0.038 0.000 0.800 441 A HN 0.531 nan 8.150 nan 0.000 0.453 442 T N -3.359 111.208 114.554 0.021 0.000 3.007 442 T HA -0.089 4.261 4.350 -0.001 0.000 0.270 442 T C 1.615 176.315 174.700 0.001 0.000 1.107 442 T CA 1.338 63.447 62.100 0.015 0.000 1.118 442 T CB -0.114 68.767 68.868 0.020 0.000 0.889 442 T HN 0.451 nan 8.240 nan 0.000 0.506 443 Q N 0.697 120.492 119.800 -0.009 0.000 2.390 443 Q HA 0.267 4.606 4.340 -0.001 0.000 0.216 443 Q C 0.460 176.460 176.000 -0.000 0.000 0.916 443 Q CA 0.523 56.318 55.803 -0.014 0.000 0.911 443 Q CB 0.251 28.970 28.738 -0.033 0.000 1.035 443 Q HN 0.519 nan 8.270 nan 0.000 0.541 444 N N -0.142 118.561 118.700 0.004 0.000 2.653 444 N HA 0.271 5.011 4.740 -0.001 0.000 0.261 444 N C -0.363 175.154 175.510 0.011 0.000 1.216 444 N CA 0.194 53.249 53.050 0.009 0.000 0.784 444 N CB 1.176 39.669 38.487 0.010 0.000 1.327 444 N HN -0.025 nan 8.380 nan 0.000 0.539 445 A N 2.157 124.985 122.820 0.012 0.000 2.015 445 A HA -0.119 4.201 4.320 -0.001 0.000 0.219 445 A C 1.747 179.339 177.584 0.014 0.000 1.163 445 A CA 1.340 53.386 52.037 0.015 0.000 0.646 445 A CB 0.005 19.015 19.000 0.015 0.000 0.806 445 A HN 0.601 nan 8.150 nan 0.000 0.448 446 Q N -0.530 119.277 119.800 0.011 0.000 2.083 446 Q HA 0.009 4.349 4.340 -0.001 0.000 0.198 446 Q C 0.653 176.659 176.000 0.009 0.000 0.969 446 Q CA 1.289 57.098 55.803 0.010 0.000 0.838 446 Q CB 0.107 28.849 28.738 0.007 0.000 0.900 446 Q HN 0.597 nan 8.270 nan 0.000 0.436 447 N N -0.967 117.738 118.700 0.009 0.000 2.725 447 N HA 0.182 4.922 4.740 -0.001 0.000 0.248 447 N C -2.504 173.012 175.510 0.009 0.000 1.402 447 N CA -1.603 51.452 53.050 0.008 0.000 0.766 447 N CB 1.054 39.544 38.487 0.005 0.000 1.223 447 N HN -0.160 nan 8.380 nan 0.000 0.515 448 P HA -0.141 nan 4.420 nan 0.000 0.215 448 P C 1.580 178.882 177.300 0.004 0.000 1.163 448 P CA 0.753 63.861 63.100 0.013 0.000 0.894 448 P CB 0.431 32.145 31.700 0.022 0.000 0.791 449 I N -0.791 119.780 120.570 0.003 0.000 2.423 449 I HA -0.196 3.973 4.170 -0.001 0.000 0.254 449 I C 2.209 178.317 176.117 -0.015 0.000 1.151 449 I CA 1.354 62.648 61.300 -0.010 0.000 1.421 449 I CB -0.500 37.498 38.000 -0.002 0.000 1.079 449 I HN -0.266 nan 8.210 nan 0.000 0.431 450 R N 0.112 120.610 120.500 -0.004 0.000 2.127 450 R HA -0.109 4.231 4.340 -0.001 0.000 0.238 450 R C 2.051 178.354 176.300 0.004 0.000 1.134 450 R CA 1.797 57.895 56.100 -0.003 0.000 0.975 450 R CB -1.041 29.260 30.300 0.003 0.000 0.865 450 R HN 0.301 nan 8.270 nan 0.000 0.447 451 V N 0.643 120.567 119.914 0.017 0.000 2.332 451 V HA -0.231 3.888 4.120 -0.001 0.000 0.248 451 V C 2.177 178.321 176.094 0.082 0.000 1.055 451 V CA 1.820 64.157 62.300 0.062 0.000 1.038 451 V CB -0.606 31.253 31.823 0.059 0.000 0.651 451 V HN 0.315 nan 8.190 nan 0.000 0.450 452 L N 0.429 121.647 121.223 -0.008 0.000 2.044 452 L HA -0.046 4.294 4.340 -0.001 0.000 0.205 452 L C 2.206 178.977 176.870 -0.165 0.000 1.075 452 L CA 1.828 56.572 54.840 -0.160 0.000 0.747 452 L CB -0.964 40.946 42.059 -0.249 0.000 0.903 452 L HN 0.266 nan 8.230 nan 0.000 0.435 453 N N -0.387 118.261 118.700 -0.087 0.000 2.069 453 N HA -0.238 4.502 4.740 -0.001 0.000 0.191 453 N C 1.870 177.347 175.510 -0.055 0.000 1.031 453 N CA 1.385 54.397 53.050 -0.062 0.000 0.852 453 N CB -0.337 38.131 38.487 -0.031 0.000 1.018 453 N HN 0.383 nan 8.380 nan 0.000 0.423 454 Q N 0.818 120.598 119.800 -0.033 0.000 2.124 454 Q HA 0.064 4.404 4.340 -0.001 0.000 0.202 454 Q C 1.798 177.780 176.000 -0.030 0.000 0.977 454 Q CA 1.686 57.479 55.803 -0.017 0.000 0.850 454 Q CB -0.543 28.200 28.738 0.008 0.000 0.901 454 Q HN 0.379 nan 8.270 nan 0.000 0.429 455 A N -0.285 122.499 122.820 -0.060 0.000 1.972 455 A HA -0.118 4.201 4.320 -0.001 0.000 0.219 455 A C 2.044 179.542 177.584 -0.143 0.000 1.169 455 A CA 1.356 53.326 52.037 -0.112 0.000 0.635 455 A CB -0.577 18.237 19.000 -0.310 0.000 0.810 455 A HN 0.464 nan 8.150 nan 0.000 0.446 456 I N -0.714 119.769 120.570 -0.145 0.000 2.333 456 I HA -0.167 4.003 4.170 -0.001 0.000 0.246 456 I C 2.266 178.352 176.117 -0.051 0.000 1.106 456 I CA 0.765 62.002 61.300 -0.105 0.000 1.411 456 I CB -0.280 37.664 38.000 -0.093 0.000 1.082 456 I HN 0.253 nan 8.210 nan 0.000 0.420 457 L N 0.421 121.621 121.223 -0.039 0.000 2.083 457 L HA -0.222 4.118 4.340 -0.001 0.000 0.209 457 L C 1.898 178.761 176.870 -0.011 0.000 1.083 457 L CA 1.198 56.027 54.840 -0.019 0.000 0.752 457 L CB -0.632 41.419 42.059 -0.014 0.000 0.899 457 L HN 0.262 nan 8.230 nan 0.000 0.433 458 D N -0.208 120.184 120.400 -0.013 0.000 2.312 458 D HA -0.033 4.606 4.640 -0.001 0.000 0.211 458 D C 1.706 178.006 176.300 -0.001 0.000 0.964 458 D CA 1.253 55.252 54.000 -0.002 0.000 0.877 458 D CB 0.210 41.013 40.800 0.006 0.000 0.924 458 D HN 0.436 nan 8.370 nan 0.000 0.515 459 G N 0.965 109.758 108.800 -0.011 0.000 2.176 459 G HA2 -0.316 3.643 3.960 -0.001 0.000 0.232 459 G HA3 -0.316 3.643 3.960 -0.001 0.000 0.232 459 G C 0.881 175.774 174.900 -0.011 0.000 0.986 459 G CA 0.460 45.556 45.100 -0.005 0.000 0.643 459 G HN 0.404 nan 8.290 nan 0.000 0.522 460 E N -0.575 119.612 120.200 -0.022 0.000 2.106 460 E HA 0.159 4.508 4.350 -0.001 0.000 0.192 460 E C 0.969 177.536 176.600 -0.056 0.000 0.984 460 E CA 0.545 56.934 56.400 -0.017 0.000 0.806 460 E CB -0.000 29.701 29.700 0.002 0.000 0.750 460 E HN 0.585 nan 8.360 nan 0.000 0.458 461 L N -0.740 120.414 121.223 -0.115 0.000 2.342 461 L HA 0.418 4.758 4.340 -0.001 0.000 0.271 461 L C 0.620 177.441 176.870 -0.080 0.000 1.008 461 L CA -0.413 54.346 54.840 -0.135 0.000 0.818 461 L CB 1.841 43.733 42.059 -0.279 0.000 1.296 461 L HN -0.078 nan 8.230 nan 0.000 0.427 462 A N 1.513 124.301 122.820 -0.054 0.000 2.072 462 A HA 0.552 4.871 4.320 -0.001 0.000 0.216 462 A C 0.884 178.450 177.584 -0.030 0.000 1.156 462 A CA 1.016 53.036 52.037 -0.028 0.000 0.701 462 A CB -0.146 18.842 19.000 -0.020 0.000 0.816 462 A HN 0.986 nan 8.150 nan 0.000 0.458 463 G N -2.612 106.155 108.800 -0.056 0.000 2.339 463 G HA2 0.351 4.310 3.960 -0.001 0.000 0.275 463 G HA3 0.351 4.310 3.960 -0.001 0.000 0.275 463 G C -1.404 173.454 174.900 -0.070 0.000 1.323 463 G CA -0.125 44.943 45.100 -0.053 0.000 0.927 463 G HN 0.592 nan 8.290 nan 0.000 0.486 464 V N 0.339 120.190 119.914 -0.105 0.000 2.628 464 V HA 0.859 4.979 4.120 -0.001 0.000 0.306 464 V C 0.369 176.191 176.094 -0.452 0.000 1.045 464 V CA 0.061 62.250 62.300 -0.186 0.000 0.905 464 V CB 1.365 33.104 31.823 -0.139 0.000 0.997 464 V HN 1.997 nan 8.190 nan 0.000 0.436 465 A N 4.215 126.779 122.820 -0.427 0.000 2.398 465 A HA 0.839 5.158 4.320 -0.001 0.000 0.301 465 A C -1.359 175.952 177.584 -0.455 0.000 1.041 465 A CA -0.501 51.240 52.037 -0.494 0.000 0.711 465 A CB 1.473 20.295 19.000 -0.296 0.000 1.240 465 A HN 0.913 nan 8.150 nan 0.000 0.420 466 L N 4.161 125.058 121.223 -0.544 0.000 2.282 466 L HA 0.668 5.008 4.340 -0.001 0.000 0.288 466 L C -1.120 175.631 176.870 -0.199 0.000 1.033 466 L CA -0.329 54.331 54.840 -0.300 0.000 0.807 466 L CB 0.872 42.785 42.059 -0.243 0.000 1.209 466 L HN 0.520 nan 8.230 nan 0.000 0.423 467 I N 5.698 126.214 120.570 -0.090 0.000 2.354 467 I HA 0.365 4.535 4.170 -0.001 0.000 0.286 467 I C 0.078 176.213 176.117 0.029 0.000 1.007 467 I CA -0.418 60.867 61.300 -0.026 0.000 1.167 467 I CB 0.388 38.380 38.000 -0.014 0.000 1.320 467 I HN 0.788 nan 8.210 nan 0.000 0.458 468 C N 2.900 122.246 119.300 0.076 0.000 2.973 468 C HA 1.083 5.543 4.460 -0.001 0.000 0.329 468 C C 0.341 175.427 174.990 0.160 0.000 1.327 468 C CA -0.486 58.603 59.018 0.119 0.000 1.632 468 C CB 1.402 29.250 27.740 0.180 0.000 2.098 468 C HN 1.179 nan 8.230 nan 0.000 0.469 469 G N -1.026 107.872 108.800 0.164 0.000 2.326 469 G HA2 0.414 4.374 3.960 -0.001 0.000 0.413 469 G HA3 0.414 4.374 3.960 -0.001 0.000 0.413 469 G C -0.798 174.225 174.900 0.204 0.000 1.444 469 G CA -0.109 45.112 45.100 0.202 0.000 1.002 469 G HN 1.180 nan 8.290 nan 0.000 0.649 470 C N -0.598 118.797 119.300 0.158 0.000 2.372 470 C HA 0.762 5.222 4.460 -0.001 0.000 0.352 470 C C 0.683 175.806 174.990 0.223 0.000 2.624 470 C CA -0.561 58.518 59.018 0.102 0.000 1.817 470 C CB 0.864 28.581 27.740 -0.038 0.000 2.051 470 C HN 0.728 nan 8.230 nan 0.000 0.412 471 N N 2.045 120.855 118.700 0.183 0.000 2.765 471 N HA 0.165 4.905 4.740 -0.001 0.000 0.277 471 N C -1.071 174.536 175.510 0.161 0.000 1.750 471 N CA -0.036 53.157 53.050 0.238 0.000 0.827 471 N CB -0.158 38.548 38.487 0.364 0.000 1.200 471 N HN 0.488 nan 8.380 nan 0.000 0.494 472 N N 1.697 120.441 118.700 0.073 0.000 2.399 472 N HA 0.094 4.833 4.740 -0.001 0.000 0.259 472 N C 1.077 176.568 175.510 -0.033 0.000 1.160 472 N CA -0.090 52.989 53.050 0.048 0.000 0.946 472 N CB 0.714 39.228 38.487 0.045 0.000 1.156 472 N HN 0.411 nan 8.380 nan 0.000 0.489 473 L N 3.203 124.348 121.223 -0.130 0.000 2.642 473 L HA -0.106 4.234 4.340 -0.001 0.000 0.236 473 L C 1.870 178.280 176.870 -0.767 0.000 1.169 473 L CA 0.638 55.203 54.840 -0.458 0.000 0.851 473 L CB -0.150 41.513 42.059 -0.659 0.000 0.968 473 L HN 0.461 nan 8.230 nan 0.000 0.453 474 K N 0.188 120.436 120.400 -0.254 0.000 2.283 474 K HA -0.017 4.303 4.320 -0.001 0.000 0.202 474 K C 1.067 177.648 176.600 -0.032 0.000 1.048 474 K CA 0.706 56.985 56.287 -0.013 0.000 0.948 474 K CB 0.014 32.635 32.500 0.202 0.000 0.742 474 K HN 0.362 nan 8.250 nan 0.000 0.458 475 G N -0.216 108.563 108.800 -0.035 0.000 2.481 475 G HA2 0.432 4.391 3.960 -0.001 0.000 0.315 475 G HA3 0.432 4.391 3.960 -0.001 0.000 0.315 475 G C -1.006 173.987 174.900 0.155 0.000 1.231 475 G CA -0.785 44.363 45.100 0.079 0.000 0.968 475 G HN -0.107 nan 8.290 nan 0.000 0.482 476 F N 0.839 120.748 119.950 -0.068 0.000 2.608 476 F HA 0.114 4.640 4.527 -0.001 0.000 0.380 476 F C 1.375 177.180 175.800 0.008 0.000 1.083 476 F CA -0.325 57.660 58.000 -0.024 0.000 1.266 476 F CB 0.797 39.798 39.000 0.001 0.000 1.076 476 F HN 0.463 nan 8.300 nan 0.000 0.574 477 Q N 4.001 123.892 119.800 0.152 0.000 2.320 477 Q HA -0.101 4.239 4.340 -0.001 0.000 0.311 477 Q C 0.183 176.290 176.000 0.178 0.000 1.083 477 Q CA 0.600 56.497 55.803 0.156 0.000 1.001 477 Q CB 0.138 28.997 28.738 0.202 0.000 1.074 477 Q HN 0.772 nan 8.270 nan 0.000 0.379 478 D N 2.082 122.600 120.400 0.198 0.000 2.837 478 D HA -0.269 4.371 4.640 -0.001 0.000 0.195 478 D C 0.625 177.012 176.300 0.144 0.000 1.033 478 D CA 1.465 55.601 54.000 0.226 0.000 1.021 478 D CB -1.103 39.800 40.800 0.171 0.000 1.101 478 D HN 0.791 nan 8.370 nan 0.000 0.431 479 N N 0.312 119.082 118.700 0.118 0.000 2.120 479 N HA -0.073 4.667 4.740 -0.001 0.000 0.188 479 N C 1.520 177.042 175.510 0.019 0.000 1.024 479 N CA 2.234 55.328 53.050 0.074 0.000 0.852 479 N CB -0.080 38.456 38.487 0.081 0.000 1.003 479 N HN 0.163 nan 8.380 nan 0.000 0.424 480 S N -0.697 114.989 115.700 -0.024 0.000 2.387 480 S HA -0.062 4.408 4.470 -0.001 0.000 0.226 480 S C 1.572 176.132 174.600 -0.066 0.000 1.026 480 S CA 0.518 58.676 58.200 -0.071 0.000 0.972 480 S CB -0.450 62.683 63.200 -0.112 0.000 0.814 480 S HN 0.472 nan 8.310 nan 0.000 0.477 481 H N 1.063 120.142 119.070 0.015 0.000 2.321 481 H HA 0.030 4.586 4.556 -0.001 0.000 0.300 481 H C 2.173 177.472 175.328 -0.049 0.000 1.087 481 H CA 0.977 57.019 56.048 -0.011 0.000 1.319 481 H CB -0.526 29.232 29.762 -0.007 0.000 1.379 481 H HN 0.228 nan 8.280 nan 0.000 0.501 482 L N 0.461 121.735 121.223 0.086 0.000 2.027 482 L HA -0.134 4.205 4.340 -0.001 0.000 0.206 482 L C 2.426 179.265 176.870 -0.052 0.000 1.074 482 L CA 1.576 56.407 54.840 -0.015 0.000 0.745 482 L CB -1.158 40.898 42.059 -0.005 0.000 0.898 482 L HN 0.274 nan 8.230 nan 0.000 0.433 483 T N -0.377 114.159 114.554 -0.031 0.000 2.708 483 T HA -0.137 4.213 4.350 -0.001 0.000 0.266 483 T C 2.118 176.779 174.700 -0.065 0.000 1.037 483 T CA 1.223 63.295 62.100 -0.046 0.000 1.146 483 T CB -0.252 68.591 68.868 -0.043 0.000 0.865 483 T HN 0.071 nan 8.240 nan 0.000 0.435 484 V N 1.492 121.368 119.914 -0.064 0.000 2.295 484 V HA -0.188 3.932 4.120 -0.001 0.000 0.246 484 V C 2.499 178.539 176.094 -0.091 0.000 1.049 484 V CA 1.723 63.970 62.300 -0.088 0.000 1.024 484 V CB -0.590 31.187 31.823 -0.077 0.000 0.648 484 V HN 0.480 nan 8.190 nan 0.000 0.447 485 M N -0.701 118.849 119.600 -0.083 0.000 2.086 485 M HA -0.209 4.271 4.480 -0.001 0.000 0.261 485 M C 2.305 178.522 176.300 -0.139 0.000 1.067 485 M CA 1.930 57.160 55.300 -0.115 0.000 1.116 485 M CB -0.529 31.993 32.600 -0.130 0.000 1.348 485 M HN 0.208 nan 8.290 nan 0.000 0.407 486 K N -0.110 120.195 120.400 -0.159 0.000 2.063 486 K HA -0.219 4.100 4.320 -0.001 0.000 0.208 486 K C 1.967 178.536 176.600 -0.051 0.000 1.048 486 K CA 1.521 57.726 56.287 -0.136 0.000 0.928 486 K CB -0.209 32.226 32.500 -0.108 0.000 0.713 486 K HN 0.134 nan 8.250 nan 0.000 0.442 487 E N 1.213 121.378 120.200 -0.058 0.000 2.106 487 E HA -0.096 4.253 4.350 -0.001 0.000 0.192 487 E C 1.769 178.336 176.600 -0.054 0.000 0.984 487 E CA 0.982 57.353 56.400 -0.048 0.000 0.806 487 E CB -0.071 29.590 29.700 -0.066 0.000 0.750 487 E HN 0.205 nan 8.360 nan 0.000 0.458 488 L N -0.295 120.884 121.223 -0.074 0.000 2.072 488 L HA -0.100 4.240 4.340 -0.001 0.000 0.205 488 L C 2.454 179.292 176.870 -0.052 0.000 1.079 488 L CA 0.745 55.540 54.840 -0.075 0.000 0.752 488 L CB -0.435 41.563 42.059 -0.102 0.000 0.906 488 L HN 0.192 nan 8.230 nan 0.000 0.436 489 L N 0.175 121.369 121.223 -0.048 0.000 2.012 489 L HA -0.265 4.075 4.340 -0.001 0.000 0.210 489 L C 2.716 179.599 176.870 0.020 0.000 1.073 489 L CA 1.520 56.352 54.840 -0.014 0.000 0.748 489 L CB -0.577 41.479 42.059 -0.005 0.000 0.891 489 L HN 0.283 nan 8.230 nan 0.000 0.431 490 K N 0.214 120.629 120.400 0.025 0.000 2.152 490 K HA -0.172 4.147 4.320 -0.001 0.000 0.206 490 K C 1.174 177.784 176.600 0.016 0.000 1.048 490 K CA 1.363 57.671 56.287 0.034 0.000 0.933 490 K CB 0.001 32.520 32.500 0.031 0.000 0.721 490 K HN 0.359 nan 8.250 nan 0.000 0.447 491 N N 1.565 120.264 118.700 -0.002 0.000 2.295 491 N HA 0.021 4.761 4.740 -0.001 0.000 0.221 491 N C -0.830 174.676 175.510 -0.007 0.000 1.129 491 N CA 0.098 53.144 53.050 -0.007 0.000 0.836 491 N CB 0.396 38.870 38.487 -0.021 0.000 1.040 491 N HN 0.227 nan 8.380 nan 0.000 0.494 492 N N -0.042 118.660 118.700 0.004 0.000 2.754 492 N HA -0.139 4.600 4.740 -0.001 0.000 0.248 492 N C -0.737 174.766 175.510 -0.012 0.000 1.093 492 N CA 0.375 53.430 53.050 0.007 0.000 0.699 492 N CB -1.545 36.946 38.487 0.006 0.000 1.016 492 N HN 0.015 nan 8.380 nan 0.000 0.552 493 V N 1.304 121.205 119.914 -0.023 0.000 2.465 493 V HA 0.304 4.424 4.120 -0.001 0.000 0.279 493 V C 0.544 176.626 176.094 -0.019 0.000 1.045 493 V CA -0.705 61.571 62.300 -0.039 0.000 0.938 493 V CB 1.058 32.836 31.823 -0.077 0.000 0.986 493 V HN 0.228 nan 8.190 nan 0.000 0.467 494 F N 6.087 125.943 119.950 -0.156 0.000 2.466 494 F HA 0.422 4.948 4.527 -0.001 0.000 0.363 494 F C 0.068 175.784 175.800 -0.141 0.000 1.109 494 F CA -0.041 57.871 58.000 -0.147 0.000 1.161 494 F CB 0.678 39.538 39.000 -0.233 0.000 1.117 494 F HN 0.247 nan 8.300 nan 0.000 0.539 495 V N 7.719 127.332 119.914 -0.502 0.000 2.394 495 V HA 0.440 4.560 4.120 -0.001 0.000 0.282 495 V C -0.339 175.554 176.094 -0.335 0.000 1.031 495 V CA -0.656 61.439 62.300 -0.342 0.000 0.881 495 V CB 1.223 32.916 31.823 -0.216 0.000 0.982 495 V HN 0.649 nan 8.190 nan 0.000 0.451 496 V N 2.265 122.069 119.914 -0.183 0.000 2.715 496 V HA 1.073 5.192 4.120 -0.001 0.000 0.310 496 V C -0.091 176.001 176.094 -0.004 0.000 1.054 496 V CA -0.658 61.627 62.300 -0.026 0.000 0.928 496 V CB 1.570 33.446 31.823 0.087 0.000 1.007 496 V HN 1.103 nan 8.190 nan 0.000 0.437 497 A N 2.652 125.502 122.820 0.051 0.000 2.556 497 A HA 1.032 5.351 4.320 -0.001 0.000 0.294 497 A C -0.211 177.393 177.584 0.033 0.000 1.091 497 A CA -0.054 51.983 52.037 0.000 0.000 0.704 497 A CB 2.060 21.000 19.000 -0.099 0.000 1.300 497 A HN 1.857 nan 8.150 nan 0.000 0.406 498 T N -2.112 112.455 114.554 0.021 0.000 2.812 498 T HA 0.820 5.170 4.350 -0.001 0.000 0.294 498 T C 0.797 175.510 174.700 0.021 0.000 1.159 498 T CA 0.351 62.499 62.100 0.080 0.000 1.008 498 T CB 0.834 69.825 68.868 0.205 0.000 1.289 498 T HN 2.661 nan 8.240 nan 0.000 0.514 499 G N -0.203 108.653 108.800 0.093 0.000 2.581 499 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.291 499 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.291 499 G C 1.198 176.094 174.900 -0.007 0.000 1.277 499 G CA 0.279 45.428 45.100 0.082 0.000 0.959 499 G HN 1.407 nan 8.290 nan 0.000 0.554 500 C N 0.161 119.467 119.300 0.010 0.000 2.422 500 C HA 0.160 4.619 4.460 -0.001 0.000 0.286 500 C C 3.252 178.074 174.990 -0.280 0.000 1.412 500 C CA 1.734 60.730 59.018 -0.037 0.000 1.786 500 C CB -1.283 26.506 27.740 0.081 0.000 1.835 500 C HN 0.857 nan 8.230 nan 0.000 0.533 501 S N 0.712 116.189 115.700 -0.371 0.000 2.371 501 S HA -0.053 4.417 4.470 -0.001 0.000 0.224 501 S C 2.085 176.435 174.600 -0.415 0.000 1.029 501 S CA 1.411 59.193 58.200 -0.696 0.000 0.978 501 S CB -0.216 62.822 63.200 -0.270 0.000 0.833 501 S HN 0.616 nan 8.310 nan 0.000 0.466 502 A N 1.031 123.653 122.820 -0.330 0.000 1.930 502 A HA -0.072 4.247 4.320 -0.001 0.000 0.217 502 A C 2.133 179.519 177.584 -0.330 0.000 1.175 502 A CA 1.322 53.089 52.037 -0.451 0.000 0.627 502 A CB -0.611 17.808 19.000 -0.968 0.000 0.815 502 A HN 0.693 nan 8.150 nan 0.000 0.443 503 Q N -0.570 119.101 119.800 -0.215 0.000 2.119 503 Q HA -0.091 4.249 4.340 -0.001 0.000 0.201 503 Q C 2.403 178.350 176.000 -0.089 0.000 0.972 503 Q CA 1.211 56.962 55.803 -0.087 0.000 0.847 503 Q CB -0.368 28.355 28.738 -0.026 0.000 0.903 503 Q HN 0.682 nan 8.270 nan 0.000 0.433 504 A N 1.429 124.157 122.820 -0.154 0.000 1.902 504 A HA -0.105 4.214 4.320 -0.001 0.000 0.217 504 A C 2.349 179.883 177.584 -0.083 0.000 1.181 504 A CA 1.589 53.563 52.037 -0.104 0.000 0.623 504 A CB -0.686 18.217 19.000 -0.161 0.000 0.818 504 A HN 0.383 nan 8.150 nan 0.000 0.443 505 A N -0.426 122.320 122.820 -0.125 0.000 1.877 505 A HA 0.120 4.440 4.320 -0.001 0.000 0.216 505 A C 2.435 179.987 177.584 -0.053 0.000 1.186 505 A CA 1.995 53.971 52.037 -0.101 0.000 0.620 505 A CB -1.447 17.477 19.000 -0.127 0.000 0.822 505 A HN 0.720 nan 8.150 nan 0.000 0.443 506 G N -0.283 108.493 108.800 -0.039 0.000 2.433 506 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.216 506 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.216 506 G C 1.673 176.578 174.900 0.009 0.000 1.186 506 G CA 1.114 46.219 45.100 0.009 0.000 0.779 506 G HN 0.571 nan 8.290 nan 0.000 0.543 507 K N -0.110 120.291 120.400 0.001 0.000 2.097 507 K HA 0.054 4.373 4.320 -0.001 0.000 0.206 507 K C 1.920 178.527 176.600 0.012 0.000 1.049 507 K CA 0.751 57.042 56.287 0.006 0.000 0.933 507 K CB -0.195 32.309 32.500 0.006 0.000 0.717 507 K HN 0.301 nan 8.250 nan 0.000 0.442 508 L N -0.470 120.758 121.223 0.009 0.000 2.741 508 L HA 0.228 4.568 4.340 -0.001 0.000 0.237 508 L C 0.907 177.801 176.870 0.039 0.000 1.178 508 L CA 0.059 54.912 54.840 0.022 0.000 0.973 508 L CB 0.445 42.514 42.059 0.016 0.000 1.255 508 L HN 0.403 nan 8.230 nan 0.000 0.498 509 G N 0.193 109.015 108.800 0.037 0.000 2.175 509 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.244 509 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.244 509 G C 0.728 175.674 174.900 0.076 0.000 0.982 509 G CA 0.077 45.219 45.100 0.070 0.000 0.641 509 G HN 0.288 nan 8.290 nan 0.000 0.527 510 L N 0.117 121.339 121.223 -0.002 0.000 2.610 510 L HA 0.287 4.627 4.340 -0.001 0.000 0.232 510 L C 2.018 178.870 176.870 -0.030 0.000 1.149 510 L CA 0.512 55.321 54.840 -0.051 0.000 0.872 510 L CB -0.113 41.845 42.059 -0.169 0.000 0.992 510 L HN 0.304 nan 8.230 nan 0.000 0.447 511 L N -1.043 120.178 121.223 -0.004 0.000 2.769 511 L HA 0.205 4.545 4.340 -0.001 0.000 0.240 511 L C 0.085 176.965 176.870 0.016 0.000 1.163 511 L CA -0.111 54.731 54.840 0.003 0.000 0.962 511 L CB 0.152 42.237 42.059 0.044 0.000 1.258 511 L HN 0.032 nan 8.230 nan 0.000 0.513 512 D N 0.871 121.288 120.400 0.028 0.000 2.329 512 D HA 0.203 4.843 4.640 -0.001 0.000 0.232 512 D C -1.790 174.527 176.300 0.029 0.000 1.088 512 D CA -2.104 51.916 54.000 0.032 0.000 0.835 512 D CB 2.211 43.036 40.800 0.043 0.000 1.078 512 D HN -0.171 nan 8.370 nan 0.000 0.495 513 P HA -0.126 nan 4.420 nan 0.000 0.218 513 P C 0.871 178.186 177.300 0.024 0.000 1.146 513 P CA 1.150 64.261 63.100 0.018 0.000 0.813 513 P CB 0.254 31.970 31.700 0.027 0.000 0.778 514 A N -0.763 122.071 122.820 0.022 0.000 2.121 514 A HA -0.143 4.177 4.320 -0.001 0.000 0.218 514 A C 1.852 179.439 177.584 0.005 0.000 1.154 514 A CA 1.335 53.379 52.037 0.013 0.000 0.679 514 A CB -0.921 18.084 19.000 0.009 0.000 0.795 514 A HN 0.167 nan 8.150 nan 0.000 0.458 515 N N -0.316 118.403 118.700 0.032 0.000 2.270 515 N HA 0.077 4.817 4.740 -0.001 0.000 0.198 515 N C 1.233 176.779 175.510 0.060 0.000 1.117 515 N CA 0.287 53.354 53.050 0.027 0.000 0.845 515 N CB 0.563 39.142 38.487 0.153 0.000 0.980 515 N HN 0.237 nan 8.380 nan 0.000 0.486 516 V N 1.076 121.023 119.914 0.055 0.000 2.407 516 V HA -0.174 3.946 4.120 -0.001 0.000 0.248 516 V C 2.398 178.517 176.094 0.043 0.000 1.055 516 V CA 1.506 63.848 62.300 0.070 0.000 1.049 516 V CB -0.154 31.705 31.823 0.059 0.000 0.662 516 V HN 0.225 nan 8.190 nan 0.000 0.455 517 E N 0.089 120.289 120.200 -0.000 0.000 2.106 517 E HA -0.181 4.169 4.350 -0.001 0.000 0.192 517 E C 2.487 179.043 176.600 -0.074 0.000 0.984 517 E CA 1.789 58.175 56.400 -0.023 0.000 0.806 517 E CB -0.328 29.355 29.700 -0.029 0.000 0.750 517 E HN 0.708 nan 8.360 nan 0.000 0.458 518 T N -2.117 112.334 114.554 -0.173 0.000 3.055 518 T HA -0.064 4.286 4.350 -0.001 0.000 0.265 518 T C 1.478 175.932 174.700 -0.409 0.000 1.111 518 T CA 0.827 62.717 62.100 -0.350 0.000 1.118 518 T CB -0.094 68.433 68.868 -0.568 0.000 0.909 518 T HN 0.194 nan 8.240 nan 0.000 0.501 519 Y N -0.154 120.147 120.300 0.001 0.000 2.589 519 Y HA 0.403 4.953 4.550 -0.001 0.000 0.271 519 Y C 1.475 177.375 175.900 0.000 0.000 1.107 519 Y CA -1.092 57.006 58.100 -0.003 0.000 1.273 519 Y CB 0.483 38.937 38.460 -0.009 0.000 1.266 519 Y HN 0.198 nan 8.280 nan 0.000 0.504 520 C N 2.150 121.543 119.300 0.155 0.000 2.593 520 C HA 0.527 4.986 4.460 -0.001 0.000 0.409 520 C C 1.395 176.430 174.990 0.075 0.000 1.304 520 C CA -1.008 58.073 59.018 0.106 0.000 2.007 520 C CB -0.343 27.460 27.740 0.106 0.000 2.614 520 C HN 0.535 nan 8.230 nan 0.000 0.585 521 G N 2.059 110.897 108.800 0.064 0.000 2.667 521 G HA2 0.167 4.127 3.960 -0.001 0.000 0.250 521 G HA3 0.167 4.127 3.960 -0.001 0.000 0.250 521 G C 0.510 175.443 174.900 0.055 0.000 1.212 521 G CA -0.146 44.983 45.100 0.049 0.000 0.874 521 G HN 0.791 nan 8.290 nan 0.000 0.561 522 D N 0.482 120.910 120.400 0.046 0.000 2.149 522 D HA -0.117 4.523 4.640 -0.001 0.000 0.198 522 D C 2.508 178.848 176.300 0.067 0.000 0.990 522 D CA 1.605 55.635 54.000 0.051 0.000 0.839 522 D CB -0.523 40.300 40.800 0.038 0.000 0.948 522 D HN 0.450 nan 8.370 nan 0.000 0.460 523 G N 0.984 109.821 108.800 0.061 0.000 2.453 523 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.215 523 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.215 523 G C 1.588 176.560 174.900 0.120 0.000 1.201 523 G CA 0.710 45.853 45.100 0.071 0.000 0.784 523 G HN 0.260 nan 8.290 nan 0.000 0.545 524 L N 0.909 122.201 121.223 0.114 0.000 2.017 524 L HA 0.058 4.398 4.340 -0.001 0.000 0.208 524 L C 2.663 179.673 176.870 0.233 0.000 1.073 524 L CA 2.629 57.580 54.840 0.186 0.000 0.745 524 L CB -0.694 41.447 42.059 0.137 0.000 0.894 524 L HN 0.285 nan 8.230 nan 0.000 0.432 525 K N -0.863 119.628 120.400 0.153 0.000 2.044 525 K HA -0.163 4.156 4.320 -0.001 0.000 0.210 525 K C 1.984 178.661 176.600 0.128 0.000 1.049 525 K CA 1.624 57.987 56.287 0.127 0.000 0.927 525 K CB -0.721 31.829 32.500 0.084 0.000 0.713 525 K HN 0.512 nan 8.250 nan 0.000 0.443 526 G N 0.319 109.196 108.800 0.129 0.000 2.418 526 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.217 526 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.217 526 G C 1.330 176.316 174.900 0.144 0.000 1.158 526 G CA 0.692 45.861 45.100 0.114 0.000 0.771 526 G HN 0.397 nan 8.290 nan 0.000 0.545 527 F N 1.267 121.248 119.950 0.053 0.000 2.102 527 F HA 0.018 4.545 4.527 -0.001 0.000 0.298 527 F C 2.427 178.272 175.800 0.075 0.000 1.105 527 F CA 1.232 59.263 58.000 0.052 0.000 1.239 527 F CB -0.195 38.840 39.000 0.057 0.000 0.991 527 F HN 0.039 nan 8.300 nan 0.000 0.474 528 L N -0.177 121.123 121.223 0.128 0.000 2.141 528 L HA -0.180 4.160 4.340 -0.001 0.000 0.209 528 L C 2.510 179.379 176.870 -0.002 0.000 1.094 528 L CA 0.844 55.721 54.840 0.061 0.000 0.763 528 L CB -0.688 41.490 42.059 0.199 0.000 0.908 528 L HN 0.019 nan 8.230 nan 0.000 0.437 529 K N 0.574 120.985 120.400 0.018 0.000 2.002 529 K HA -0.132 4.187 4.320 -0.001 0.000 0.209 529 K C 2.169 178.752 176.600 -0.029 0.000 1.048 529 K CA 1.339 57.631 56.287 0.009 0.000 0.930 529 K CB -0.391 32.124 32.500 0.025 0.000 0.714 529 K HN 0.257 nan 8.250 nan 0.000 0.438 530 R N 0.614 121.078 120.500 -0.059 0.000 2.094 530 R HA -0.160 4.179 4.340 -0.001 0.000 0.239 530 R C 2.413 178.639 176.300 -0.122 0.000 1.137 530 R CA 1.347 57.398 56.100 -0.083 0.000 0.943 530 R CB -0.585 29.654 30.300 -0.101 0.000 0.850 530 R HN 0.036 nan 8.270 nan 0.000 0.433 531 L N 0.237 121.322 121.223 -0.229 0.000 1.989 531 L HA -0.085 4.254 4.340 -0.001 0.000 0.211 531 L C 2.241 179.072 176.870 -0.066 0.000 1.071 531 L CA 2.277 56.988 54.840 -0.215 0.000 0.749 531 L CB -1.182 40.654 42.059 -0.372 0.000 0.890 531 L HN 0.273 nan 8.230 nan 0.000 0.431 532 G N -1.300 107.485 108.800 -0.024 0.000 2.480 532 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.216 532 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.216 532 G C 1.412 176.328 174.900 0.027 0.000 1.200 532 G CA 0.858 45.979 45.100 0.036 0.000 0.782 532 G HN 0.517 nan 8.290 nan 0.000 0.554 533 E N 0.136 120.342 120.200 0.011 0.000 2.049 533 E HA -0.107 4.243 4.350 -0.001 0.000 0.198 533 E C 2.765 179.370 176.600 0.009 0.000 1.007 533 E CA 0.800 57.207 56.400 0.011 0.000 0.809 533 E CB -0.504 29.200 29.700 0.005 0.000 0.749 533 E HN 0.389 nan 8.360 nan 0.000 0.450 534 G N 0.828 109.626 108.800 -0.004 0.000 2.462 534 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.220 534 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.220 534 G C 1.494 176.401 174.900 0.011 0.000 1.121 534 G CA 0.768 45.866 45.100 -0.003 0.000 0.758 534 G HN 0.338 nan 8.290 nan 0.000 0.559 535 A N 0.218 123.051 122.820 0.022 0.000 2.251 535 A HA 0.220 4.540 4.320 -0.001 0.000 0.209 535 A C 1.179 178.792 177.584 0.048 0.000 1.187 535 A CA 0.504 52.569 52.037 0.045 0.000 0.823 535 A CB -0.172 18.874 19.000 0.076 0.000 0.846 535 A HN 0.320 nan 8.150 nan 0.000 0.486 536 N N -0.660 118.063 118.700 0.038 0.000 2.738 536 N HA -0.144 4.596 4.740 -0.001 0.000 0.249 536 N C -0.650 174.886 175.510 0.043 0.000 1.047 536 N CA 1.101 54.172 53.050 0.034 0.000 0.707 536 N CB -1.387 37.117 38.487 0.028 0.000 0.937 536 N HN 0.603 nan 8.380 nan 0.000 0.545 537 I N 0.538 121.141 120.570 0.055 0.000 2.460 537 I HA 0.087 4.256 4.170 -0.001 0.000 0.277 537 I C 1.461 177.612 176.117 0.056 0.000 1.057 537 I CA -0.293 61.047 61.300 0.066 0.000 1.179 537 I CB 1.296 39.362 38.000 0.109 0.000 1.329 537 I HN 0.054 nan 8.210 nan 0.000 0.478 538 E N 4.679 124.903 120.200 0.040 0.000 2.347 538 E HA -0.143 4.207 4.350 -0.001 0.000 0.196 538 E C 2.062 178.682 176.600 0.034 0.000 1.008 538 E CA 0.629 57.049 56.400 0.033 0.000 0.852 538 E CB 0.371 30.085 29.700 0.023 0.000 0.783 538 E HN 0.802 nan 8.360 nan 0.000 0.505 539 I N -0.331 120.262 120.570 0.038 0.000 2.286 539 I HA -0.068 4.102 4.170 -0.001 0.000 0.248 539 I C 0.871 177.015 176.117 0.044 0.000 1.115 539 I CA 1.336 62.657 61.300 0.036 0.000 1.392 539 I CB -0.095 37.927 38.000 0.037 0.000 1.065 539 I HN 0.208 nan 8.210 nan 0.000 0.418 540 G N 0.510 109.347 108.800 0.061 0.000 2.662 540 G HA2 -0.114 3.845 3.960 -0.001 0.000 0.686 540 G HA3 -0.114 3.845 3.960 -0.001 0.000 0.686 540 G C -0.846 174.107 174.900 0.087 0.000 1.271 540 G CA -0.430 44.709 45.100 0.065 0.000 0.816 540 G HN 0.319 nan 8.290 nan 0.000 0.608 541 L N 2.229 123.503 121.223 0.084 0.000 2.379 541 L HA 0.564 4.904 4.340 -0.001 0.000 0.269 541 L C -1.298 175.531 176.870 -0.068 0.000 1.084 541 L CA -1.899 52.973 54.840 0.053 0.000 0.802 541 L CB 1.651 43.783 42.059 0.122 0.000 1.175 541 L HN 0.522 nan 8.230 nan 0.000 0.448 542 P HA 0.250 nan 4.420 nan 0.000 0.278 542 P C -2.518 174.616 177.300 -0.277 0.000 1.266 542 P CA -1.708 61.247 63.100 -0.242 0.000 0.807 542 P CB 0.777 32.326 31.700 -0.253 0.000 1.094 543 P HA -0.016 nan 4.420 nan 0.000 0.218 543 P C 0.079 177.317 177.300 -0.103 0.000 1.152 543 P CA 1.093 64.168 63.100 -0.042 0.000 0.826 543 P CB 0.206 31.926 31.700 0.033 0.000 0.790 544 V N 0.156 119.972 119.914 -0.163 0.000 2.495 544 V HA 0.296 4.415 4.120 -0.001 0.000 0.298 544 V C -0.544 175.443 176.094 -0.178 0.000 1.031 544 V CA -0.658 61.564 62.300 -0.130 0.000 0.871 544 V CB 1.266 33.021 31.823 -0.112 0.000 0.988 544 V HN -0.180 nan 8.190 nan 0.000 0.432 545 F N 3.707 123.501 119.950 -0.260 0.000 2.371 545 F HA 0.350 4.877 4.527 -0.001 0.000 0.363 545 F C 0.639 176.526 175.800 0.144 0.000 1.122 545 F CA -0.522 57.370 58.000 -0.179 0.000 1.129 545 F CB 0.288 39.004 39.000 -0.473 0.000 1.173 545 F HN 0.494 nan 8.300 nan 0.000 0.489 546 H N 5.393 124.669 119.070 0.344 0.000 3.086 546 H HA 0.165 4.721 4.556 -0.001 0.000 0.265 546 H C 0.504 176.048 175.328 0.359 0.000 1.092 546 H CA 0.190 56.406 56.048 0.280 0.000 1.487 546 H CB 0.668 30.552 29.762 0.203 0.000 1.514 546 H HN 0.708 nan 8.280 nan 0.000 0.497 547 M N 3.485 123.439 119.600 0.590 0.000 2.495 547 M HA 0.176 4.655 4.480 -0.001 0.000 0.237 547 M C 0.940 177.451 176.300 0.352 0.000 1.131 547 M CA 0.619 56.184 55.300 0.442 0.000 1.032 547 M CB 0.612 33.433 32.600 0.368 0.000 1.513 547 M HN 0.827 nan 8.290 nan 0.000 0.488 548 G N 0.141 109.220 108.800 0.465 0.000 2.306 548 G HA2 -0.137 3.822 3.960 -0.001 0.000 0.262 548 G HA3 -0.137 3.822 3.960 -0.001 0.000 0.262 548 G C -0.488 174.620 174.900 0.346 0.000 1.263 548 G CA -0.375 44.892 45.100 0.279 0.000 1.088 548 G HN 0.364 nan 8.290 nan 0.000 0.489 549 S N -1.244 114.589 115.700 0.222 0.000 2.640 549 S HA 0.386 4.856 4.470 -0.001 0.000 0.262 549 S C 1.684 176.409 174.600 0.209 0.000 1.232 549 S CA 0.563 58.884 58.200 0.202 0.000 0.988 549 S CB 0.820 64.125 63.200 0.175 0.000 1.034 549 S HN 1.429 nan 8.310 nan 0.000 0.569 550 C N 0.308 119.750 119.300 0.237 0.000 2.413 550 C HA -0.091 4.369 4.460 -0.001 0.000 0.276 550 C C 2.934 178.007 174.990 0.138 0.000 1.236 550 C CA 1.088 60.258 59.018 0.254 0.000 1.735 550 C CB -1.751 26.234 27.740 0.407 0.000 2.031 550 C HN 0.795 nan 8.230 nan 0.000 0.474 551 V N -0.446 119.492 119.914 0.041 0.000 2.594 551 V HA -0.149 3.970 4.120 -0.001 0.000 0.253 551 V C 1.515 177.576 176.094 -0.055 0.000 1.069 551 V CA 2.454 64.661 62.300 -0.154 0.000 1.082 551 V CB -0.950 30.702 31.823 -0.285 0.000 0.680 551 V HN 0.369 nan 8.190 nan 0.000 0.469 552 D N 0.937 121.368 120.400 0.053 0.000 2.392 552 D HA -0.055 4.584 4.640 -0.001 0.000 0.228 552 D C 1.812 178.211 176.300 0.165 0.000 1.003 552 D CA 0.505 54.557 54.000 0.087 0.000 0.917 552 D CB -0.546 40.338 40.800 0.140 0.000 0.890 552 D HN 0.492 nan 8.370 nan 0.000 0.532 553 N N -0.099 118.735 118.700 0.223 0.000 2.453 553 N HA -0.113 4.627 4.740 -0.001 0.000 0.183 553 N C 1.678 177.402 175.510 0.357 0.000 1.041 553 N CA 0.627 53.917 53.050 0.400 0.000 0.900 553 N CB 0.056 38.852 38.487 0.515 0.000 0.961 553 N HN 0.226 nan 8.380 nan 0.000 0.443 554 S N 0.675 116.444 115.700 0.115 0.000 2.419 554 S HA -0.038 4.432 4.470 -0.001 0.000 0.233 554 S C 1.830 176.432 174.600 0.005 0.000 1.016 554 S CA 0.461 58.638 58.200 -0.039 0.000 0.974 554 S CB -0.120 62.814 63.200 -0.443 0.000 0.786 554 S HN 0.279 nan 8.310 nan 0.000 0.492 555 R N 1.435 121.969 120.500 0.057 0.000 2.092 555 R HA 0.143 4.483 4.340 -0.001 0.000 0.231 555 R C 2.751 179.198 176.300 0.244 0.000 1.119 555 R CA 1.180 57.353 56.100 0.122 0.000 0.970 555 R CB -0.750 29.643 30.300 0.154 0.000 0.864 555 R HN 0.560 nan 8.270 nan 0.000 0.440 556 A N 0.807 123.845 122.820 0.364 0.000 1.972 556 A HA -0.098 4.222 4.320 -0.001 0.000 0.219 556 A C 2.326 180.219 177.584 0.515 0.000 1.169 556 A CA 1.215 53.569 52.037 0.528 0.000 0.635 556 A CB -0.386 19.056 19.000 0.737 0.000 0.810 556 A HN 0.105 nan 8.150 nan 0.000 0.446 557 V N 0.600 120.759 119.914 0.408 0.000 2.358 557 V HA -0.216 3.903 4.120 -0.001 0.000 0.246 557 V C 2.104 178.273 176.094 0.125 0.000 1.047 557 V CA 2.154 64.570 62.300 0.193 0.000 1.035 557 V CB -0.740 31.071 31.823 -0.020 0.000 0.658 557 V HN 0.512 nan 8.190 nan 0.000 0.452 558 D N 0.054 120.561 120.400 0.179 0.000 2.149 558 D HA -0.174 4.465 4.640 -0.001 0.000 0.198 558 D C 1.998 178.365 176.300 0.110 0.000 0.990 558 D CA 1.291 55.383 54.000 0.153 0.000 0.839 558 D CB -0.210 40.699 40.800 0.182 0.000 0.948 558 D HN 0.382 nan 8.370 nan 0.000 0.460 559 L N 0.775 122.087 121.223 0.149 0.000 2.056 559 L HA -0.101 4.239 4.340 -0.001 0.000 0.207 559 L C 2.128 179.035 176.870 0.062 0.000 1.078 559 L CA 1.252 56.179 54.840 0.145 0.000 0.749 559 L CB -0.696 41.515 42.059 0.253 0.000 0.901 559 L HN -0.006 nan 8.230 nan 0.000 0.433 560 L N -0.911 120.274 121.223 -0.063 0.000 2.046 560 L HA -0.183 4.157 4.340 -0.001 0.000 0.208 560 L C 2.281 179.063 176.870 -0.146 0.000 1.077 560 L CA 1.900 56.553 54.840 -0.312 0.000 0.747 560 L CB -0.567 41.099 42.059 -0.655 0.000 0.896 560 L HN 0.259 nan 8.230 nan 0.000 0.432 561 M N -0.372 119.178 119.600 -0.082 0.000 2.159 561 M HA -0.087 4.392 4.480 -0.001 0.000 0.263 561 M C 2.440 178.721 176.300 -0.032 0.000 1.063 561 M CA 1.666 56.931 55.300 -0.059 0.000 1.110 561 M CB -1.769 30.808 32.600 -0.037 0.000 1.374 561 M HN 0.475 nan 8.290 nan 0.000 0.411 562 A N 0.138 122.954 122.820 -0.006 0.000 1.902 562 A HA -0.156 4.163 4.320 -0.001 0.000 0.217 562 A C 2.279 179.861 177.584 -0.004 0.000 1.181 562 A CA 1.599 53.639 52.037 0.005 0.000 0.623 562 A CB -0.550 18.466 19.000 0.027 0.000 0.818 562 A HN 0.466 nan 8.150 nan 0.000 0.443 563 M N -0.569 119.029 119.600 -0.004 0.000 2.086 563 M HA -0.166 4.314 4.480 -0.001 0.000 0.261 563 M C 2.587 178.878 176.300 -0.014 0.000 1.067 563 M CA 1.543 56.842 55.300 -0.003 0.000 1.116 563 M CB -0.504 32.108 32.600 0.021 0.000 1.348 563 M HN 0.486 nan 8.290 nan 0.000 0.407 564 A N 0.820 123.620 122.820 -0.032 0.000 1.908 564 A HA -0.179 4.140 4.320 -0.001 0.000 0.218 564 A C 1.876 179.443 177.584 -0.028 0.000 1.181 564 A CA 1.882 53.898 52.037 -0.035 0.000 0.627 564 A CB -0.831 18.133 19.000 -0.060 0.000 0.818 564 A HN 0.494 nan 8.150 nan 0.000 0.445 565 N N -0.090 118.593 118.700 -0.029 0.000 2.188 565 N HA -0.150 4.590 4.740 -0.001 0.000 0.184 565 N C 1.428 176.928 175.510 -0.016 0.000 1.018 565 N CA 1.660 54.695 53.050 -0.024 0.000 0.858 565 N CB -0.428 38.044 38.487 -0.025 0.000 0.989 565 N HN 0.667 nan 8.380 nan 0.000 0.426 566 D N 0.619 121.012 120.400 -0.012 0.000 2.144 566 D HA -0.009 4.630 4.640 -0.001 0.000 0.200 566 D C 1.838 178.133 176.300 -0.008 0.000 0.978 566 D CA 0.552 54.547 54.000 -0.009 0.000 0.833 566 D CB 0.014 40.810 40.800 -0.007 0.000 0.961 566 D HN 0.147 nan 8.370 nan 0.000 0.470 567 L N -0.679 120.539 121.223 -0.008 0.000 2.478 567 L HA 0.211 4.551 4.340 -0.001 0.000 0.223 567 L C 1.415 178.283 176.870 -0.004 0.000 1.140 567 L CA 0.444 55.281 54.840 -0.005 0.000 0.842 567 L CB -0.257 41.802 42.059 -0.002 0.000 0.953 567 L HN 0.284 nan 8.230 nan 0.000 0.452 568 G N 1.170 109.965 108.800 -0.008 0.000 2.272 568 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.280 568 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.280 568 G C -0.026 174.871 174.900 -0.004 0.000 1.067 568 G CA 0.380 45.474 45.100 -0.009 0.000 0.902 568 G HN 0.338 nan 8.290 nan 0.000 0.500 569 V N -4.074 115.837 119.914 -0.005 0.000 3.181 569 V HA 0.888 5.008 4.120 -0.001 0.000 0.308 569 V C -0.059 176.030 176.094 -0.009 0.000 1.214 569 V CA -0.962 61.342 62.300 0.006 0.000 1.053 569 V CB 2.073 33.910 31.823 0.023 0.000 1.069 569 V HN 0.215 nan 8.190 nan 0.000 0.441 570 D N 0.985 121.387 120.400 0.003 0.000 2.354 570 D HA 0.318 4.957 4.640 -0.001 0.000 0.247 570 D C 1.592 177.855 176.300 -0.062 0.000 1.138 570 D CA 0.653 54.634 54.000 -0.032 0.000 0.958 570 D CB 2.049 42.852 40.800 0.005 0.000 1.144 570 D HN 1.013 nan 8.370 nan 0.000 0.458 571 T N -0.770 113.720 114.554 -0.107 0.000 2.778 571 T HA -0.112 4.237 4.350 -0.001 0.000 0.269 571 T C -1.099 173.527 174.700 -0.124 0.000 1.050 571 T CA 0.867 62.897 62.100 -0.117 0.000 1.137 571 T CB -1.188 67.600 68.868 -0.132 0.000 0.860 571 T HN 0.337 nan 8.240 nan 0.000 0.468 572 P HA 0.013 nan 4.420 nan 0.000 0.223 572 P C 1.050 178.303 177.300 -0.078 0.000 1.144 572 P CA 1.052 63.982 63.100 -0.283 0.000 0.783 572 P CB -0.115 31.054 31.700 -0.885 0.000 0.771 573 K N -1.461 118.929 120.400 -0.017 0.000 2.358 573 K HA 0.146 4.465 4.320 -0.001 0.000 0.197 573 K C 0.064 176.692 176.600 0.047 0.000 1.025 573 K CA 0.005 56.323 56.287 0.051 0.000 1.104 573 K CB 0.510 33.054 32.500 0.073 0.000 0.855 573 K HN -0.016 nan 8.250 nan 0.000 0.531 574 V N 3.245 123.178 119.914 0.032 0.000 2.498 574 V HA 0.115 4.235 4.120 -0.001 0.000 0.279 574 V C -2.334 173.823 176.094 0.105 0.000 1.048 574 V CA -1.787 60.545 62.300 0.054 0.000 0.967 574 V CB 1.026 32.867 31.823 0.030 0.000 0.988 574 V HN -0.031 nan 8.190 nan 0.000 0.473 575 P HA 0.242 nan 4.420 nan 0.000 0.249 575 P C -0.941 176.439 177.300 0.134 0.000 1.737 575 P CA 0.446 63.607 63.100 0.102 0.000 1.128 575 P CB -0.453 31.282 31.700 0.060 0.000 1.942 576 F N 2.927 122.851 119.950 -0.043 0.000 2.574 576 F HA 0.537 5.064 4.527 -0.001 0.000 0.313 576 F C -0.944 174.765 175.800 -0.152 0.000 1.130 576 F CA -1.044 56.904 58.000 -0.087 0.000 0.936 576 F CB 1.653 40.611 39.000 -0.070 0.000 1.219 576 F HN -0.056 nan 8.300 nan 0.000 0.445 577 V N 2.503 122.229 119.914 -0.313 0.000 2.876 577 V HA 0.995 5.115 4.120 -0.001 0.000 0.312 577 V C -1.047 174.741 176.094 -0.511 0.000 1.085 577 V CA -0.622 61.511 62.300 -0.279 0.000 0.945 577 V CB 1.085 32.778 31.823 -0.217 0.000 1.017 577 V HN 1.102 nan 8.190 nan 0.000 0.428 578 A N 2.302 124.817 122.820 -0.508 0.000 2.340 578 A HA 0.952 5.272 4.320 -0.001 0.000 0.331 578 A C -0.115 177.263 177.584 -0.343 0.000 1.140 578 A CA -0.205 51.438 52.037 -0.658 0.000 0.801 578 A CB 1.735 19.945 19.000 -1.317 0.000 1.234 578 A HN 1.870 nan 8.150 nan 0.000 0.469 579 S N 0.060 115.631 115.700 -0.214 0.000 2.572 579 S HA 0.639 5.108 4.470 -0.001 0.000 0.274 579 S C -0.917 173.698 174.600 0.026 0.000 1.150 579 S CA 0.216 58.413 58.200 -0.005 0.000 0.944 579 S CB 1.363 64.616 63.200 0.089 0.000 1.071 579 S HN 2.007 nan 8.310 nan 0.000 0.479 580 A N 6.310 129.133 122.820 0.006 0.000 2.802 580 A HA 0.638 4.957 4.320 -0.001 0.000 0.344 580 A C -2.274 175.292 177.584 -0.030 0.000 1.215 580 A CA -1.546 50.508 52.037 0.028 0.000 0.821 580 A CB 0.430 19.444 19.000 0.024 0.000 1.099 580 A HN 0.620 nan 8.150 nan 0.000 0.479 581 P HA -0.163 nan 4.420 nan 0.000 0.216 581 P C 0.344 177.554 177.300 -0.149 0.000 1.150 581 P CA 1.511 64.591 63.100 -0.034 0.000 0.843 581 P CB 0.283 31.894 31.700 -0.148 0.000 0.787 582 E N -1.451 118.616 120.200 -0.221 0.000 3.858 582 E HA 0.393 4.742 4.350 -0.001 0.000 0.208 582 E C -0.458 176.131 176.600 -0.019 0.000 1.041 582 E CA -0.568 55.755 56.400 -0.130 0.000 1.368 582 E CB 0.449 30.029 29.700 -0.199 0.000 1.176 582 E HN 0.050 nan 8.360 nan 0.000 0.448 583 A N 1.150 123.964 122.820 -0.011 0.000 2.540 583 A HA 0.160 4.479 4.320 -0.001 0.000 0.239 583 A C 0.636 178.220 177.584 -0.000 0.000 1.061 583 A CA 0.590 52.630 52.037 0.006 0.000 0.758 583 A CB 0.343 19.346 19.000 0.005 0.000 0.991 583 A HN 0.591 nan 8.150 nan 0.000 0.502 584 M N 2.256 121.843 119.600 -0.021 0.000 2.146 584 M HA 0.098 4.577 4.480 -0.001 0.000 0.194 584 M C 0.929 177.194 176.300 -0.058 0.000 1.652 584 M CA 0.693 55.973 55.300 -0.034 0.000 0.986 584 M CB 0.075 32.639 32.600 -0.060 0.000 1.496 584 M HN 0.832 nan 8.290 nan 0.000 0.576 585 S N 0.434 116.073 115.700 -0.102 0.000 2.576 585 S HA 0.275 4.744 4.470 -0.001 0.000 0.272 585 S C 1.138 175.699 174.600 -0.064 0.000 1.352 585 S CA -0.086 58.051 58.200 -0.104 0.000 1.021 585 S CB 0.668 63.784 63.200 -0.140 0.000 0.887 585 S HN 0.517 nan 8.310 nan 0.000 0.542 586 G N 0.733 109.494 108.800 -0.066 0.000 2.422 586 G HA2 -0.149 3.811 3.960 -0.001 0.000 0.218 586 G HA3 -0.149 3.811 3.960 -0.001 0.000 0.218 586 G C 1.294 176.163 174.900 -0.053 0.000 1.140 586 G CA 0.431 45.503 45.100 -0.046 0.000 0.775 586 G HN 0.747 nan 8.290 nan 0.000 0.545 587 K N 0.458 120.796 120.400 -0.103 0.000 2.063 587 K HA -0.006 4.314 4.320 -0.001 0.000 0.208 587 K C 2.929 179.538 176.600 0.015 0.000 1.048 587 K CA 1.047 57.263 56.287 -0.119 0.000 0.928 587 K CB -0.195 32.161 32.500 -0.240 0.000 0.713 587 K HN 0.272 nan 8.250 nan 0.000 0.442 588 A N 1.354 124.179 122.820 0.008 0.000 1.933 588 A HA -0.111 4.208 4.320 -0.001 0.000 0.218 588 A C 2.336 179.934 177.584 0.022 0.000 1.175 588 A CA 1.788 53.841 52.037 0.028 0.000 0.628 588 A CB -0.619 18.394 19.000 0.021 0.000 0.814 588 A HN 0.343 nan 8.150 nan 0.000 0.444 589 A N -0.054 122.775 122.820 0.015 0.000 1.877 589 A HA 0.148 4.468 4.320 -0.001 0.000 0.216 589 A C 2.517 180.133 177.584 0.052 0.000 1.186 589 A CA 2.149 54.205 52.037 0.032 0.000 0.620 589 A CB -1.041 17.962 19.000 0.006 0.000 0.822 589 A HN 1.040 nan 8.150 nan 0.000 0.443 590 A N -0.145 122.698 122.820 0.038 0.000 1.902 590 A HA -0.066 4.254 4.320 -0.001 0.000 0.217 590 A C 2.136 179.666 177.584 -0.090 0.000 1.181 590 A CA 1.505 53.582 52.037 0.068 0.000 0.623 590 A CB -0.607 18.476 19.000 0.138 0.000 0.818 590 A HN 0.494 nan 8.150 nan 0.000 0.443 591 I N -0.314 120.118 120.570 -0.230 0.000 2.179 591 I HA -0.213 3.956 4.170 -0.001 0.000 0.242 591 I C 2.710 178.326 176.117 -0.835 0.000 1.088 591 I CA 1.184 61.941 61.300 -0.906 0.000 1.357 591 I CB -0.635 37.123 38.000 -0.403 0.000 1.051 591 I HN 0.406 nan 8.210 nan 0.000 0.409 592 G N 0.053 108.735 108.800 -0.197 0.000 2.422 592 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.218 592 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.218 592 G C 1.648 176.532 174.900 -0.027 0.000 1.146 592 G CA 1.412 46.543 45.100 0.050 0.000 0.769 592 G HN 0.293 nan 8.290 nan 0.000 0.547 593 T N 0.878 115.490 114.554 0.098 0.000 2.777 593 T HA -0.123 4.226 4.350 -0.001 0.000 0.266 593 T C 2.053 176.730 174.700 -0.039 0.000 1.040 593 T CA 1.365 63.534 62.100 0.114 0.000 1.141 593 T CB -0.331 68.647 68.868 0.183 0.000 0.868 593 T HN 0.793 nan 8.240 nan 0.000 0.444 594 W N -0.651 120.575 121.300 -0.123 0.000 2.519 594 W HA 0.048 4.708 4.660 -0.001 0.000 0.266 594 W C 1.665 178.025 176.519 -0.266 0.000 1.253 594 W CA -0.380 56.809 57.345 -0.259 0.000 1.274 594 W CB -1.070 28.211 29.460 -0.298 0.000 1.114 594 W HN 0.283 nan 8.180 nan 0.000 0.596 595 W N 1.586 122.834 121.300 -0.087 0.000 2.355 595 W HA -0.197 4.463 4.660 -0.001 0.000 0.309 595 W C 2.671 179.082 176.519 -0.179 0.000 1.206 595 W CA 1.486 58.774 57.345 -0.096 0.000 1.284 595 W CB -0.749 28.532 29.460 -0.299 0.000 1.145 595 W HN -0.351 nan 8.180 nan 0.000 0.502 596 V N -0.192 119.653 119.914 -0.115 0.000 2.332 596 V HA -0.341 3.778 4.120 -0.001 0.000 0.248 596 V C 2.090 178.104 176.094 -0.134 0.000 1.055 596 V CA 2.251 64.390 62.300 -0.269 0.000 1.038 596 V CB -1.166 30.308 31.823 -0.581 0.000 0.651 596 V HN 0.105 nan 8.190 nan 0.000 0.450 597 S N -0.100 115.499 115.700 -0.169 0.000 2.382 597 S HA -0.061 4.409 4.470 -0.001 0.000 0.228 597 S C 1.642 176.313 174.600 0.118 0.000 1.027 597 S CA 1.222 59.283 58.200 -0.232 0.000 0.991 597 S CB -0.321 62.661 63.200 -0.363 0.000 0.823 597 S HN 0.487 nan 8.310 nan 0.000 0.469 598 L N 1.085 122.380 121.223 0.119 0.000 2.675 598 L HA 0.166 4.506 4.340 -0.001 0.000 0.239 598 L C 1.473 178.364 176.870 0.035 0.000 1.151 598 L CA 0.250 55.155 54.840 0.109 0.000 0.905 598 L CB -0.666 41.416 42.059 0.038 0.000 1.057 598 L HN 0.511 nan 8.230 nan 0.000 0.435 599 G N -0.054 108.758 108.800 0.021 0.000 2.137 599 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.237 599 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.237 599 G C -0.054 174.807 174.900 -0.064 0.000 1.002 599 G CA -0.001 45.059 45.100 -0.066 0.000 0.702 599 G HN 0.131 nan 8.290 nan 0.000 0.515 600 V N 0.770 120.669 119.914 -0.025 0.000 2.513 600 V HA 0.547 4.666 4.120 -0.001 0.000 0.299 600 V C -1.976 173.956 176.094 -0.271 0.000 1.035 600 V CA -1.948 60.315 62.300 -0.060 0.000 0.889 600 V CB 2.229 34.093 31.823 0.068 0.000 0.988 600 V HN 0.066 nan 8.190 nan 0.000 0.440 601 P HA 0.212 nan 4.420 nan 0.000 0.271 601 P C -0.658 176.327 177.300 -0.525 0.000 1.226 601 P CA 0.193 62.815 63.100 -0.797 0.000 0.765 601 P CB 0.326 31.710 31.700 -0.527 0.000 0.835 602 T N 3.179 117.392 114.554 -0.569 0.000 2.864 602 T HA 0.178 4.527 4.350 -0.001 0.000 0.310 602 T C -0.551 174.021 174.700 -0.212 0.000 1.040 602 T CA -0.412 61.459 62.100 -0.383 0.000 0.977 602 T CB 0.021 68.610 68.868 -0.464 0.000 0.976 602 T HN 0.425 nan 8.240 nan 0.000 0.459 603 H N 3.317 122.276 119.070 -0.184 0.000 2.548 603 H HA 0.532 5.088 4.556 -0.001 0.000 0.331 603 H C -1.270 174.069 175.328 0.017 0.000 1.093 603 H CA -0.285 55.715 56.048 -0.080 0.000 1.367 603 H CB 0.802 30.510 29.762 -0.090 0.000 1.455 603 H HN 0.298 nan 8.280 nan 0.000 0.519 604 V N 4.594 124.125 119.914 -0.638 0.000 2.483 604 V HA 0.210 4.330 4.120 -0.001 0.000 0.297 604 V C 1.096 176.897 176.094 -0.488 0.000 1.027 604 V CA -0.220 61.855 62.300 -0.375 0.000 0.855 604 V CB 1.660 33.564 31.823 0.135 0.000 0.995 604 V HN 1.008 nan 8.190 nan 0.000 0.424 605 G N 2.864 111.433 108.800 -0.383 0.000 3.262 605 G HA2 0.339 4.299 3.960 -0.001 0.000 0.228 605 G HA3 0.339 4.299 3.960 -0.001 0.000 0.228 605 G C 0.452 175.364 174.900 0.021 0.000 1.197 605 G CA 0.715 45.773 45.100 -0.069 0.000 0.819 605 G HN 0.778 nan 8.290 nan 0.000 0.531 606 T N -3.362 111.201 114.554 0.015 0.000 2.923 606 T HA 0.578 4.928 4.350 -0.001 0.000 0.311 606 T C -0.797 173.886 174.700 -0.030 0.000 1.183 606 T CA -0.922 61.199 62.100 0.034 0.000 1.020 606 T CB 2.192 71.078 68.868 0.030 0.000 1.165 606 T HN -0.070 nan 8.240 nan 0.000 0.482 607 M N 2.982 122.538 119.600 -0.072 0.000 2.108 607 M HA 0.513 4.992 4.480 -0.001 0.000 0.354 607 M C -2.614 173.415 176.300 -0.452 0.000 1.229 607 M CA -1.738 53.357 55.300 -0.342 0.000 1.081 607 M CB 0.530 32.957 32.600 -0.288 0.000 1.606 607 M HN 0.423 nan 8.290 nan 0.000 0.467 608 P HA 0.269 nan 4.420 nan 0.000 0.274 608 P C -2.610 174.421 177.300 -0.448 0.000 1.256 608 P CA -0.943 61.913 63.100 -0.406 0.000 0.795 608 P CB -0.184 31.282 31.700 -0.389 0.000 1.038 609 P HA 0.010 nan 4.420 nan 0.000 0.237 609 P C 0.273 177.459 177.300 -0.189 0.000 1.788 609 P CA 0.216 63.151 63.100 -0.275 0.000 1.061 609 P CB -0.351 31.255 31.700 -0.156 0.000 1.967 610 V N -1.309 118.478 119.914 -0.211 0.000 3.485 610 V HA 0.216 4.336 4.120 -0.001 0.000 0.280 610 V C 1.643 177.762 176.094 0.042 0.000 1.495 610 V CA 0.242 62.499 62.300 -0.071 0.000 1.018 610 V CB -0.410 31.362 31.823 -0.085 0.000 0.818 610 V HN 0.023 nan 8.190 nan 0.000 0.436 611 E N 2.142 122.324 120.200 -0.030 0.000 2.338 611 E HA -0.022 4.328 4.350 -0.001 0.000 0.197 611 E C 2.107 178.700 176.600 -0.012 0.000 1.007 611 E CA 1.128 57.514 56.400 -0.024 0.000 0.849 611 E CB -0.233 29.403 29.700 -0.106 0.000 0.774 611 E HN 0.747 nan 8.360 nan 0.000 0.506 612 G N 0.694 109.490 108.800 -0.007 0.000 2.535 612 G HA2 -0.167 3.792 3.960 -0.001 0.000 0.218 612 G HA3 -0.167 3.792 3.960 -0.001 0.000 0.218 612 G C 0.624 175.547 174.900 0.038 0.000 1.122 612 G CA 0.392 45.496 45.100 0.006 0.000 0.769 612 G HN 0.135 nan 8.290 nan 0.000 0.549 613 S N -0.297 115.454 115.700 0.084 0.000 2.756 613 S HA 0.363 4.832 4.470 -0.001 0.000 0.303 613 S C 0.286 175.000 174.600 0.189 0.000 1.135 613 S CA -0.721 57.566 58.200 0.145 0.000 1.066 613 S CB 1.214 64.529 63.200 0.192 0.000 1.008 613 S HN 0.066 nan 8.310 nan 0.000 0.482 614 D N 3.689 124.188 120.400 0.166 0.000 2.178 614 D HA -0.097 4.542 4.640 -0.001 0.000 0.202 614 D C 1.861 178.291 176.300 0.215 0.000 0.974 614 D CA 0.473 54.580 54.000 0.179 0.000 0.841 614 D CB 0.105 40.978 40.800 0.122 0.000 0.953 614 D HN 0.438 nan 8.370 nan 0.000 0.478 615 L N 1.138 122.485 121.223 0.207 0.000 1.976 615 L HA -0.141 4.198 4.340 -0.001 0.000 0.209 615 L C 2.065 179.025 176.870 0.150 0.000 1.071 615 L CA 1.388 56.316 54.840 0.145 0.000 0.746 615 L CB -0.789 41.340 42.059 0.117 0.000 0.890 615 L HN -0.059 nan 8.230 nan 0.000 0.432 616 I N -0.752 119.933 120.570 0.192 0.000 2.179 616 I HA -0.336 3.834 4.170 -0.001 0.000 0.242 616 I C 2.609 178.838 176.117 0.186 0.000 1.088 616 I CA 1.326 62.730 61.300 0.173 0.000 1.357 616 I CB -1.489 36.616 38.000 0.174 0.000 1.051 616 I HN 0.303 nan 8.210 nan 0.000 0.409 617 Y N 1.508 121.886 120.300 0.130 0.000 2.151 617 Y HA -0.317 4.233 4.550 -0.001 0.000 0.284 617 Y C 3.102 179.115 175.900 0.189 0.000 1.166 617 Y CA 2.275 60.473 58.100 0.162 0.000 1.163 617 Y CB -0.250 38.285 38.460 0.125 0.000 0.974 617 Y HN 0.131 nan 8.280 nan 0.000 0.511 618 S N -0.269 115.607 115.700 0.294 0.000 2.383 618 S HA -0.155 4.315 4.470 -0.001 0.000 0.227 618 S C 2.018 176.699 174.600 0.135 0.000 1.026 618 S CA 1.475 59.802 58.200 0.211 0.000 0.981 618 S CB -0.594 62.715 63.200 0.182 0.000 0.818 618 S HN 0.526 nan 8.310 nan 0.000 0.472 619 I N 1.113 121.765 120.570 0.136 0.000 2.252 619 I HA -0.158 4.011 4.170 -0.001 0.000 0.245 619 I C 2.158 178.387 176.117 0.187 0.000 1.102 619 I CA 1.109 62.502 61.300 0.154 0.000 1.385 619 I CB -0.301 37.794 38.000 0.158 0.000 1.064 619 I HN 0.323 nan 8.210 nan 0.000 0.414 620 L N 0.094 121.419 121.223 0.171 0.000 2.093 620 L HA -0.163 4.177 4.340 -0.001 0.000 0.208 620 L C 2.606 179.608 176.870 0.221 0.000 1.085 620 L CA 1.908 56.902 54.840 0.258 0.000 0.755 620 L CB -0.774 41.417 42.059 0.221 0.000 0.904 620 L HN 0.423 nan 8.230 nan 0.000 0.435 621 T N -4.899 109.686 114.554 0.053 0.000 3.037 621 T HA 0.076 4.426 4.350 -0.001 0.000 0.251 621 T C 1.503 176.247 174.700 0.072 0.000 1.079 621 T CA 0.075 62.207 62.100 0.054 0.000 1.067 621 T CB 0.431 69.265 68.868 -0.057 0.000 0.948 621 T HN 0.329 nan 8.240 nan 0.000 0.496 622 Q N -0.055 119.784 119.800 0.066 0.000 2.618 622 Q HA 0.342 4.682 4.340 -0.001 0.000 0.209 622 Q C 2.003 178.019 176.000 0.027 0.000 0.797 622 Q CA -0.226 55.580 55.803 0.005 0.000 0.888 622 Q CB 0.321 29.078 28.738 0.032 0.000 1.244 622 Q HN 0.234 nan 8.270 nan 0.000 0.626 623 I N 2.029 122.648 120.570 0.081 0.000 2.264 623 I HA -0.198 3.971 4.170 -0.001 0.000 0.248 623 I C 2.421 178.633 176.117 0.158 0.000 1.111 623 I CA 1.526 62.888 61.300 0.104 0.000 1.382 623 I CB -1.560 36.509 38.000 0.116 0.000 1.060 623 I HN 0.177 nan 8.210 nan 0.000 0.418 624 A N 1.366 124.312 122.820 0.211 0.000 1.940 624 A HA -0.233 4.086 4.320 -0.001 0.000 0.219 624 A C 2.541 180.277 177.584 0.253 0.000 1.176 624 A CA 2.393 54.608 52.037 0.297 0.000 0.631 624 A CB -0.863 18.309 19.000 0.287 0.000 0.814 624 A HN 0.583 nan 8.150 nan 0.000 0.446 625 S N -0.434 115.371 115.700 0.174 0.000 2.447 625 S HA -0.140 4.330 4.470 -0.001 0.000 0.233 625 S C 1.250 175.954 174.600 0.173 0.000 1.006 625 S CA 1.334 59.620 58.200 0.144 0.000 0.957 625 S CB -0.327 62.788 63.200 -0.142 0.000 0.773 625 S HN 0.568 nan 8.310 nan 0.000 0.507 626 D N 0.969 121.456 120.400 0.145 0.000 2.216 626 D HA 0.108 4.748 4.640 -0.001 0.000 0.208 626 D C 2.078 178.482 176.300 0.173 0.000 0.960 626 D CA 0.771 54.860 54.000 0.150 0.000 0.861 626 D CB -0.011 40.831 40.800 0.070 0.000 0.985 626 D HN 0.361 nan 8.370 nan 0.000 0.493 627 V N 0.144 120.139 119.914 0.136 0.000 2.300 627 V HA -0.162 3.957 4.120 -0.001 0.000 0.241 627 V C 1.808 177.796 176.094 -0.178 0.000 1.034 627 V CA 1.318 63.616 62.300 -0.003 0.000 1.021 627 V CB -0.453 31.352 31.823 -0.030 0.000 0.662 627 V HN 0.133 nan 8.190 nan 0.000 0.458 628 Y N -0.204 120.175 120.300 0.132 0.000 2.524 628 Y HA 0.461 5.010 4.550 -0.001 0.000 0.270 628 Y C 2.027 177.877 175.900 -0.084 0.000 1.094 628 Y CA 0.768 58.882 58.100 0.023 0.000 1.276 628 Y CB 0.619 39.079 38.460 -0.001 0.000 1.130 628 Y HN 0.327 nan 8.280 nan 0.000 0.536 629 G N -0.384 108.457 108.800 0.069 0.000 2.279 629 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.223 629 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.223 629 G C 0.738 175.638 174.900 0.000 0.000 1.015 629 G CA -0.214 44.745 45.100 -0.235 0.000 0.621 629 G HN 0.682 nan 8.290 nan 0.000 0.506 630 G N -0.525 108.306 108.800 0.051 0.000 2.511 630 G HA2 0.888 4.847 3.960 -0.001 0.000 0.316 630 G HA3 0.888 4.847 3.960 -0.001 0.000 0.316 630 G C -0.577 174.377 174.900 0.091 0.000 1.210 630 G CA -0.156 44.928 45.100 -0.027 0.000 0.969 630 G HN 1.726 nan 8.290 nan 0.000 0.492 631 Y N -3.326 116.866 120.300 -0.180 0.000 2.717 631 Y HA 0.551 5.101 4.550 -0.001 0.000 0.345 631 Y C -1.614 174.103 175.900 -0.305 0.000 1.187 631 Y CA -2.107 55.880 58.100 -0.187 0.000 1.128 631 Y CB 0.488 38.906 38.460 -0.070 0.000 1.360 631 Y HN 0.453 nan 8.280 nan 0.000 0.467 632 F N 2.721 122.586 119.950 -0.142 0.000 2.396 632 F HA 0.578 5.104 4.527 -0.001 0.000 0.343 632 F C 0.201 175.738 175.800 -0.438 0.000 1.104 632 F CA -0.366 57.332 58.000 -0.503 0.000 1.161 632 F CB 1.009 39.402 39.000 -1.013 0.000 1.146 632 F HN 0.360 nan 8.300 nan 0.000 0.522 633 I N 4.817 125.269 120.570 -0.197 0.000 2.405 633 I HA 0.214 4.384 4.170 -0.001 0.000 0.280 633 I C -1.014 175.097 176.117 -0.010 0.000 1.027 633 I CA -0.314 60.996 61.300 0.018 0.000 1.161 633 I CB 0.580 38.666 38.000 0.144 0.000 1.300 633 I HN 0.425 nan 8.210 nan 0.000 0.463 634 F N 5.017 125.101 119.950 0.223 0.000 2.404 634 F HA 0.415 4.942 4.527 -0.001 0.000 0.358 634 F C 0.459 176.370 175.800 0.185 0.000 1.120 634 F CA -0.453 57.640 58.000 0.154 0.000 1.144 634 F CB 0.984 40.075 39.000 0.152 0.000 1.133 634 F HN 0.392 nan 8.300 nan 0.000 0.495 635 E N 3.520 123.945 120.200 0.374 0.000 2.334 635 E HA 0.295 4.645 4.350 -0.001 0.000 0.280 635 E C -0.511 176.248 176.600 0.265 0.000 0.899 635 E CA -0.428 56.137 56.400 0.275 0.000 0.813 635 E CB 1.222 31.036 29.700 0.191 0.000 1.318 635 E HN 0.513 nan 8.360 nan 0.000 0.399 636 M N 1.249 120.950 119.600 0.169 0.000 2.506 636 M HA 0.160 4.640 4.480 -0.001 0.000 0.260 636 M C 0.354 176.702 176.300 0.079 0.000 1.104 636 M CA 0.464 55.839 55.300 0.124 0.000 1.112 636 M CB 0.078 32.741 32.600 0.104 0.000 1.401 636 M HN 0.391 nan 8.290 nan 0.000 0.473 637 D N 1.542 121.975 120.400 0.054 0.000 2.365 637 D HA 0.110 4.750 4.640 -0.001 0.000 0.237 637 D C -1.758 174.531 176.300 -0.018 0.000 1.190 637 D CA -2.006 51.997 54.000 0.005 0.000 0.867 637 D CB 1.413 42.206 40.800 -0.011 0.000 1.050 637 D HN 0.044 nan 8.370 nan 0.000 0.491 638 P HA -0.208 nan 4.420 nan 0.000 0.216 638 P C 1.224 178.463 177.300 -0.101 0.000 1.150 638 P CA 0.991 64.054 63.100 -0.062 0.000 0.843 638 P CB 0.578 32.249 31.700 -0.048 0.000 0.787 639 Q N -0.199 119.552 119.800 -0.082 0.000 2.046 639 Q HA -0.063 4.276 4.340 -0.001 0.000 0.200 639 Q C 2.394 178.326 176.000 -0.112 0.000 0.975 639 Q CA 1.097 56.848 55.803 -0.088 0.000 0.836 639 Q CB -1.162 27.536 28.738 -0.066 0.000 0.896 639 Q HN 0.155 nan 8.270 nan 0.000 0.428 640 V N 1.138 120.989 119.914 -0.106 0.000 2.407 640 V HA -0.248 3.872 4.120 -0.001 0.000 0.248 640 V C 2.403 178.378 176.094 -0.199 0.000 1.055 640 V CA 1.647 63.868 62.300 -0.132 0.000 1.049 640 V CB -1.146 30.620 31.823 -0.095 0.000 0.662 640 V HN 0.305 nan 8.190 nan 0.000 0.455 641 A N 0.292 122.983 122.820 -0.215 0.000 1.883 641 A HA -0.167 4.152 4.320 -0.001 0.000 0.217 641 A C 2.466 179.807 177.584 -0.405 0.000 1.186 641 A CA 2.273 54.074 52.037 -0.394 0.000 0.624 641 A CB -0.905 17.743 19.000 -0.586 0.000 0.822 641 A HN 0.579 nan 8.150 nan 0.000 0.444 642 A N -0.496 122.149 122.820 -0.292 0.000 1.908 642 A HA -0.201 4.119 4.320 -0.001 0.000 0.218 642 A C 2.262 179.730 177.584 -0.194 0.000 1.181 642 A CA 1.896 53.797 52.037 -0.226 0.000 0.627 642 A CB -0.512 18.394 19.000 -0.157 0.000 0.818 642 A HN 0.572 nan 8.150 nan 0.000 0.445 643 R N -0.155 120.233 120.500 -0.187 0.000 2.081 643 R HA -0.127 4.212 4.340 -0.001 0.000 0.235 643 R C 2.095 178.261 176.300 -0.224 0.000 1.131 643 R CA 1.820 57.818 56.100 -0.170 0.000 0.960 643 R CB -0.223 29.983 30.300 -0.156 0.000 0.856 643 R HN 0.523 nan 8.270 nan 0.000 0.436 644 K N 0.081 120.279 120.400 -0.338 0.000 2.097 644 K HA -0.098 4.221 4.320 -0.001 0.000 0.205 644 K C 2.071 178.531 176.600 -0.233 0.000 1.050 644 K CA 1.407 57.402 56.287 -0.486 0.000 0.938 644 K CB -0.091 32.013 32.500 -0.661 0.000 0.718 644 K HN 0.246 nan 8.250 nan 0.000 0.442 645 I N 1.129 121.574 120.570 -0.208 0.000 2.226 645 I HA -0.288 3.882 4.170 -0.001 0.000 0.245 645 I C 2.122 178.193 176.117 -0.076 0.000 1.100 645 I CA 1.201 62.418 61.300 -0.138 0.000 1.374 645 I CB -0.198 37.690 38.000 -0.187 0.000 1.057 645 I HN 0.118 nan 8.210 nan 0.000 0.413 646 L N 0.143 121.315 121.223 -0.086 0.000 2.093 646 L HA -0.221 4.119 4.340 -0.001 0.000 0.208 646 L C 2.076 178.959 176.870 0.023 0.000 1.085 646 L CA 1.107 55.924 54.840 -0.037 0.000 0.755 646 L CB -0.647 41.382 42.059 -0.050 0.000 0.904 646 L HN 0.249 nan 8.230 nan 0.000 0.435 647 D N 0.254 120.662 120.400 0.014 0.000 2.144 647 D HA -0.151 4.489 4.640 -0.001 0.000 0.199 647 D C 2.239 178.698 176.300 0.266 0.000 0.984 647 D CA 1.464 55.529 54.000 0.109 0.000 0.834 647 D CB -0.016 40.814 40.800 0.051 0.000 0.955 647 D HN 0.312 nan 8.370 nan 0.000 0.465 648 A N 0.479 123.433 122.820 0.223 0.000 1.930 648 A HA -0.088 4.232 4.320 -0.001 0.000 0.217 648 A C 2.362 180.119 177.584 0.288 0.000 1.175 648 A CA 0.807 53.058 52.037 0.358 0.000 0.627 648 A CB -0.651 18.492 19.000 0.238 0.000 0.815 648 A HN 0.193 nan 8.150 nan 0.000 0.443 649 L N -0.824 120.498 121.223 0.165 0.000 2.072 649 L HA -0.126 4.214 4.340 -0.001 0.000 0.205 649 L C 2.724 179.701 176.870 0.178 0.000 1.079 649 L CA 1.388 56.307 54.840 0.131 0.000 0.752 649 L CB -0.422 41.664 42.059 0.045 0.000 0.906 649 L HN 0.440 nan 8.230 nan 0.000 0.436 650 E N 0.079 120.389 120.200 0.183 0.000 2.110 650 E HA -0.281 4.069 4.350 -0.001 0.000 0.193 650 E C 2.107 178.877 176.600 0.282 0.000 0.988 650 E CA 1.433 57.944 56.400 0.184 0.000 0.804 650 E CB -0.192 29.587 29.700 0.131 0.000 0.745 650 E HN 0.506 nan 8.360 nan 0.000 0.458 651 Y N 1.414 121.850 120.300 0.227 0.000 2.097 651 Y HA -0.217 4.333 4.550 -0.001 0.000 0.282 651 Y C 2.474 178.550 175.900 0.292 0.000 1.152 651 Y CA 2.405 60.677 58.100 0.287 0.000 1.136 651 Y CB -0.028 38.600 38.460 0.281 0.000 0.975 651 Y HN -0.034 nan 8.280 nan 0.000 0.498 652 R N -1.219 119.555 120.500 0.457 0.000 2.090 652 R HA -0.107 4.233 4.340 -0.001 0.000 0.228 652 R C 2.350 178.722 176.300 0.121 0.000 1.110 652 R CA 1.570 57.833 56.100 0.271 0.000 0.973 652 R CB -0.691 29.754 30.300 0.243 0.000 0.869 652 R HN 0.264 nan 8.270 nan 0.000 0.440 653 T N 0.331 114.972 114.554 0.144 0.000 2.746 653 T HA -0.186 4.164 4.350 -0.001 0.000 0.267 653 T C 1.181 175.935 174.700 0.091 0.000 1.039 653 T CA 1.402 63.558 62.100 0.093 0.000 1.142 653 T CB -0.192 68.734 68.868 0.098 0.000 0.866 653 T HN 0.449 nan 8.240 nan 0.000 0.444 654 W N 1.922 123.181 121.300 -0.069 0.000 2.353 654 W HA -0.035 4.624 4.660 -0.001 0.000 0.319 654 W C 2.365 178.770 176.519 -0.190 0.000 1.207 654 W CA 1.307 58.582 57.345 -0.117 0.000 1.291 654 W CB -0.457 28.921 29.460 -0.138 0.000 1.159 654 W HN 0.060 nan 8.180 nan 0.000 0.478 655 K N 0.197 120.297 120.400 -0.500 0.000 2.147 655 K HA -0.206 4.114 4.320 -0.001 0.000 0.205 655 K C 2.294 178.450 176.600 -0.739 0.000 1.049 655 K CA 1.584 57.289 56.287 -0.971 0.000 0.936 655 K CB -0.600 31.441 32.500 -0.766 0.000 0.722 655 K HN 0.312 nan 8.250 nan 0.000 0.446 656 L N -0.056 120.952 121.223 -0.358 0.000 2.046 656 L HA -0.124 4.216 4.340 -0.001 0.000 0.208 656 L C 2.240 179.006 176.870 -0.173 0.000 1.077 656 L CA 1.697 56.418 54.840 -0.199 0.000 0.747 656 L CB -0.660 41.356 42.059 -0.073 0.000 0.896 656 L HN 0.404 nan 8.230 nan 0.000 0.432 657 G N -0.998 107.690 108.800 -0.186 0.000 2.418 657 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.217 657 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.217 657 G C 1.528 176.327 174.900 -0.168 0.000 1.158 657 G CA 0.872 45.893 45.100 -0.132 0.000 0.771 657 G HN 0.276 nan 8.290 nan 0.000 0.545 658 V N 0.426 120.137 119.914 -0.339 0.000 2.343 658 V HA -0.213 3.906 4.120 -0.001 0.000 0.247 658 V C 2.399 178.436 176.094 -0.094 0.000 1.051 658 V CA 2.112 64.239 62.300 -0.290 0.000 1.036 658 V CB -0.886 30.598 31.823 -0.566 0.000 0.654 658 V HN 0.538 nan 8.190 nan 0.000 0.451 659 H N 0.020 118.954 119.070 -0.227 0.000 2.387 659 H HA -0.130 4.425 4.556 -0.001 0.000 0.299 659 H C 2.376 177.650 175.328 -0.091 0.000 1.090 659 H CA 1.348 57.305 56.048 -0.151 0.000 1.332 659 H CB 0.111 29.788 29.762 -0.141 0.000 1.386 659 H HN 0.413 nan 8.280 nan 0.000 0.516 660 K N 0.716 121.143 120.400 0.045 0.000 2.103 660 K HA -0.111 4.209 4.320 -0.001 0.000 0.204 660 K C 1.967 178.577 176.600 0.016 0.000 1.052 660 K CA 1.013 57.312 56.287 0.019 0.000 0.945 660 K CB 0.065 32.566 32.500 0.002 0.000 0.722 660 K HN 0.428 nan 8.250 nan 0.000 0.443 661 E N 0.632 120.837 120.200 0.008 0.000 2.047 661 E HA -0.147 4.202 4.350 -0.001 0.000 0.191 661 E C 2.074 178.706 176.600 0.052 0.000 0.987 661 E CA 1.133 57.543 56.400 0.017 0.000 0.799 661 E CB -0.002 29.700 29.700 0.004 0.000 0.752 661 E HN 0.012 nan 8.360 nan 0.000 0.449 662 V N 1.437 121.392 119.914 0.068 0.000 2.295 662 V HA -0.275 3.844 4.120 -0.001 0.000 0.246 662 V C 2.346 178.534 176.094 0.156 0.000 1.049 662 V CA 1.836 64.222 62.300 0.143 0.000 1.024 662 V CB -0.754 31.096 31.823 0.045 0.000 0.648 662 V HN 0.321 nan 8.190 nan 0.000 0.447 663 A N -0.578 122.276 122.820 0.057 0.000 1.940 663 A HA -0.291 4.029 4.320 -0.001 0.000 0.219 663 A C 2.304 179.923 177.584 0.059 0.000 1.176 663 A CA 2.151 54.212 52.037 0.039 0.000 0.631 663 A CB -0.470 18.532 19.000 0.003 0.000 0.814 663 A HN 0.637 nan 8.150 nan 0.000 0.446 664 E N -0.667 119.561 120.200 0.047 0.000 2.046 664 E HA -0.171 4.179 4.350 -0.001 0.000 0.190 664 E C 2.335 178.949 176.600 0.023 0.000 0.982 664 E CA 0.753 57.169 56.400 0.028 0.000 0.800 664 E CB -0.147 29.561 29.700 0.013 0.000 0.756 664 E HN 0.571 nan 8.360 nan 0.000 0.449 665 R N -0.559 119.961 120.500 0.034 0.000 2.080 665 R HA -0.169 4.171 4.340 -0.001 0.000 0.236 665 R C 1.671 177.898 176.300 -0.122 0.000 1.137 665 R CA 1.742 57.810 56.100 -0.052 0.000 0.943 665 R CB -0.199 30.066 30.300 -0.059 0.000 0.846 665 R HN 0.270 nan 8.270 nan 0.000 0.431 666 Y N 0.659 120.943 120.300 -0.027 0.000 2.490 666 Y HA 0.133 4.683 4.550 -0.001 0.000 0.281 666 Y C -0.198 175.686 175.900 -0.028 0.000 1.174 666 Y CA 0.260 58.343 58.100 -0.028 0.000 1.295 666 Y CB 0.233 38.672 38.460 -0.036 0.000 1.062 666 Y HN 0.161 nan 8.280 nan 0.000 0.522 667 E N 1.070 121.327 120.200 0.095 0.000 2.302 667 E HA -0.179 4.171 4.350 -0.001 0.000 0.186 667 E C -0.048 176.579 176.600 0.046 0.000 1.444 667 E CA 0.676 57.104 56.400 0.047 0.000 0.671 667 E CB -1.664 28.049 29.700 0.021 0.000 1.122 667 E HN 0.460 nan 8.360 nan 0.000 0.366 668 T N -2.204 112.372 114.554 0.037 0.000 2.778 668 T HA 0.553 4.902 4.350 -0.001 0.000 0.293 668 T C -0.017 174.677 174.700 -0.011 0.000 1.144 668 T CA -1.260 60.845 62.100 0.007 0.000 1.010 668 T CB 1.780 70.643 68.868 -0.009 0.000 1.325 668 T HN 0.122 nan 8.240 nan 0.000 0.515 669 K N 0.002 120.386 120.400 -0.027 0.000 2.180 669 K HA 0.454 4.774 4.320 -0.001 0.000 0.251 669 K C -0.220 176.352 176.600 -0.046 0.000 1.014 669 K CA -0.763 55.505 56.287 -0.032 0.000 0.913 669 K CB 0.248 32.726 32.500 -0.037 0.000 1.008 669 K HN 0.463 nan 8.250 nan 0.000 0.490 670 L N 1.781 122.981 121.223 -0.039 0.000 2.410 670 L HA 0.043 4.383 4.340 -0.001 0.000 0.273 670 L C -0.340 176.476 176.870 -0.089 0.000 1.152 670 L CA -0.043 54.769 54.840 -0.046 0.000 0.855 670 L CB 0.433 42.485 42.059 -0.011 0.000 1.129 670 L HN 0.673 nan 8.230 nan 0.000 0.463 671 C N 5.311 124.501 119.300 -0.184 0.000 2.634 671 C HA 0.072 4.532 4.460 -0.001 0.000 0.418 671 C C 1.445 176.345 174.990 -0.150 0.000 1.373 671 C CA -0.413 58.435 59.018 -0.284 0.000 1.756 671 C CB -0.270 27.072 27.740 -0.663 0.000 2.589 671 C HN 0.883 nan 8.230 nan 0.000 0.602 672 Q N 3.551 123.296 119.800 -0.092 0.000 2.319 672 Q HA 0.166 4.506 4.340 -0.001 0.000 0.202 672 Q C 1.089 177.116 176.000 0.045 0.000 0.896 672 Q CA 0.223 56.031 55.803 0.008 0.000 0.942 672 Q CB 0.109 28.847 28.738 -0.001 0.000 1.083 672 Q HN 0.996 nan 8.270 nan 0.000 0.510 673 G N 0.218 109.003 108.800 -0.025 0.000 2.414 673 G HA2 0.034 3.993 3.960 -0.001 0.000 0.236 673 G HA3 0.034 3.993 3.960 -0.001 0.000 0.236 673 G C -0.251 174.785 174.900 0.226 0.000 1.293 673 G CA -0.261 44.831 45.100 -0.015 0.000 0.869 673 G HN 0.136 nan 8.290 nan 0.000 0.556 674 Y N 0.000 120.353 120.300 0.089 0.000 2.660 674 Y HA 0.000 4.550 4.550 -0.001 0.000 0.201 674 Y CA 0.000 58.168 58.100 0.114 0.000 1.940 674 Y CB 0.000 38.513 38.460 0.088 0.000 1.050 674 Y HN 0.000 nan 8.280 nan 0.000 0.758