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 1pmm_1_B DATA FIRST_RESID 3 DATA SEQUENCE KKQVTDLRSE LLDSRFGAKS ISTIAESKRF PLHEMRDDVA FQIINDELYL DATA SEQUENCE DGNARQNLAT FCQTWDDENV HKLMDLSINK NWIDKEEYPQ SAAIDLRCVN DATA SEQUENCE MVADLWHAPA PKNGQAVGTN TIGSSEACML GGMAMKWRWR KRMEAAGKPT DATA SEQUENCE DKPNLVCGPV QICWHKFARY WDVELREIPM RPGQLFMDPK RMIEACDENT DATA SEQUENCE IGVVPTFGVT YTGNYEFPQP LHDALDKFQA DTGIDIDMHI DAASGGFLAP DATA SEQUENCE FVAPDIVWDF RLPRVKSISA SGHKFGLAPL GCGWVIWRDE EALPQELVFN DATA SEQUENCE VDYLGGQIGT FAINFSRPAG QVIAQYYEFL RLGREGYTKV QNASYQVAAY DATA SEQUENCE LADEIAKLGP YEFICTGRPD EGIPAVCFKL KDGEDPGYTL YDLSERLRLR DATA SEQUENCE GWQVPAFTLG GEATDIVVMR IMCRRGFEMD FAELLLEDYK ASLKYLSDHP 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 K HA 0.000 nan 4.320 nan 0.000 0.191 3 K C 0.000 176.597 176.600 -0.005 0.000 0.988 3 K CA 0.000 56.284 56.287 -0.005 0.000 0.838 3 K CB 0.000 32.498 32.500 -0.004 0.000 1.064 4 K N 2.038 122.435 120.400 -0.005 0.000 2.211 4 K HA -0.092 4.213 4.320 -0.023 0.000 0.203 4 K C 1.841 178.436 176.600 -0.009 0.000 1.050 4 K CA 1.380 57.663 56.287 -0.006 0.000 0.945 4 K CB 0.265 32.762 32.500 -0.005 0.000 0.732 4 K HN 0.202 nan 8.250 nan 0.000 0.451 5 Q N 0.193 119.987 119.800 -0.010 0.000 2.119 5 Q HA -0.098 4.228 4.340 -0.023 0.000 0.201 5 Q C 1.769 177.760 176.000 -0.015 0.000 0.972 5 Q CA 1.189 56.983 55.803 -0.015 0.000 0.847 5 Q CB 0.273 29.002 28.738 -0.016 0.000 0.903 5 Q HN 0.178 nan 8.270 nan 0.000 0.433 6 V N 0.037 119.944 119.914 -0.011 0.000 2.548 6 V HA -0.176 3.930 4.120 -0.023 0.000 0.249 6 V C 2.072 178.160 176.094 -0.010 0.000 1.055 6 V CA 1.956 64.250 62.300 -0.011 0.000 1.065 6 V CB -0.485 31.333 31.823 -0.008 0.000 0.681 6 V HN 0.408 nan 8.190 nan 0.000 0.462 7 T N -0.464 114.085 114.554 -0.008 0.000 2.857 7 T HA -0.134 4.202 4.350 -0.023 0.000 0.266 7 T C 1.629 176.324 174.700 -0.008 0.000 1.048 7 T CA 1.386 63.482 62.100 -0.007 0.000 1.139 7 T CB -0.271 68.594 68.868 -0.005 0.000 0.874 7 T HN 0.454 nan 8.240 nan 0.000 0.455 8 D N 1.084 121.478 120.400 -0.010 0.000 2.144 8 D HA -0.019 4.607 4.640 -0.023 0.000 0.200 8 D C 2.043 178.335 176.300 -0.014 0.000 0.978 8 D CA 0.538 54.531 54.000 -0.012 0.000 0.833 8 D CB -0.338 40.453 40.800 -0.015 0.000 0.961 8 D HN 0.182 nan 8.370 nan 0.000 0.470 9 L N 1.336 122.549 121.223 -0.016 0.000 2.046 9 L HA -0.104 4.222 4.340 -0.023 0.000 0.208 9 L C 2.306 179.168 176.870 -0.014 0.000 1.077 9 L CA 1.549 56.379 54.840 -0.018 0.000 0.747 9 L CB -0.446 41.602 42.059 -0.019 0.000 0.896 9 L HN -0.139 nan 8.230 nan 0.000 0.432 10 R N -1.106 119.387 120.500 -0.011 0.000 2.083 10 R HA -0.151 4.175 4.340 -0.023 0.000 0.237 10 R C 2.179 178.474 176.300 -0.008 0.000 1.137 10 R CA 1.823 57.918 56.100 -0.009 0.000 0.951 10 R CB -0.295 30.001 30.300 -0.007 0.000 0.851 10 R HN 0.423 nan 8.270 nan 0.000 0.434 11 S N 0.449 116.145 115.700 -0.008 0.000 2.383 11 S HA -0.152 4.304 4.470 -0.023 0.000 0.227 11 S C 1.656 176.250 174.600 -0.010 0.000 1.026 11 S CA 1.374 59.570 58.200 -0.006 0.000 0.981 11 S CB -0.164 63.034 63.200 -0.004 0.000 0.818 11 S HN 0.457 nan 8.310 nan 0.000 0.472 12 E N 0.470 120.662 120.200 -0.013 0.000 2.153 12 E HA -0.154 4.182 4.350 -0.023 0.000 0.194 12 E C 1.938 178.528 176.600 -0.017 0.000 0.988 12 E CA 0.809 57.199 56.400 -0.016 0.000 0.811 12 E CB -0.072 29.616 29.700 -0.019 0.000 0.746 12 E HN 0.358 nan 8.360 nan 0.000 0.466 13 L N -0.081 121.133 121.223 -0.015 0.000 2.102 13 L HA -0.004 4.322 4.340 -0.023 0.000 0.202 13 L C 1.793 178.655 176.870 -0.013 0.000 1.076 13 L CA 1.477 56.308 54.840 -0.015 0.000 0.761 13 L CB -0.054 41.997 42.059 -0.013 0.000 0.921 13 L HN 0.153 nan 8.230 nan 0.000 0.444 14 L N -0.952 120.264 121.223 -0.010 0.000 2.416 14 L HA 0.118 4.444 4.340 -0.023 0.000 0.216 14 L C 0.142 177.009 176.870 -0.006 0.000 1.098 14 L CA -0.368 54.467 54.840 -0.007 0.000 0.840 14 L CB -0.564 41.492 42.059 -0.004 0.000 0.981 14 L HN 0.135 nan 8.230 nan 0.000 0.462 15 D N 1.483 121.879 120.400 -0.007 0.000 2.472 15 D HA 0.034 4.660 4.640 -0.023 0.000 0.237 15 D C 0.611 176.905 176.300 -0.010 0.000 1.141 15 D CA 0.275 54.273 54.000 -0.004 0.000 0.875 15 D CB 0.806 41.603 40.800 -0.005 0.000 1.192 15 D HN 0.111 nan 8.370 nan 0.000 0.450 16 S N 1.852 117.553 115.700 0.002 0.000 2.608 16 S HA 0.136 4.592 4.470 -0.023 0.000 0.261 16 S C 1.277 175.852 174.600 -0.042 0.000 1.314 16 S CA -0.684 57.516 58.200 0.000 0.000 0.992 16 S CB 1.397 64.622 63.200 0.041 0.000 0.935 16 S HN 0.412 nan 8.310 nan 0.000 0.564 17 R N 0.555 120.993 120.500 -0.104 0.000 2.133 17 R HA -0.126 4.200 4.340 -0.023 0.000 0.245 17 R C 1.393 177.434 176.300 -0.431 0.000 1.137 17 R CA 2.220 58.131 56.100 -0.314 0.000 0.947 17 R CB -1.109 28.904 30.300 -0.478 0.000 0.865 17 R HN 0.786 nan 8.270 nan 0.000 0.437 18 F N -1.653 118.308 119.950 0.018 0.000 2.765 18 F HA 0.322 4.834 4.527 -0.025 0.000 0.302 18 F C 1.949 177.754 175.800 0.009 0.000 1.111 18 F CA 0.613 58.621 58.000 0.014 0.000 1.359 18 F CB 0.200 39.208 39.000 0.014 0.000 1.097 18 F HN 0.201 nan 8.300 nan 0.000 0.577 19 G N -0.170 108.700 108.800 0.116 0.000 2.986 19 G HA2 0.322 4.268 3.960 -0.023 0.000 0.213 19 G HA3 0.322 4.268 3.960 -0.023 0.000 0.213 19 G C 0.717 175.639 174.900 0.038 0.000 1.156 19 G CA 0.301 45.448 45.100 0.077 0.000 0.763 19 G HN 0.302 nan 8.290 nan 0.000 0.547 20 A N 0.358 123.185 122.820 0.011 0.000 2.445 20 A HA 0.397 4.702 4.320 -0.023 0.000 0.242 20 A C 1.451 179.037 177.584 0.004 0.000 1.075 20 A CA 0.112 52.145 52.037 -0.007 0.000 0.777 20 A CB 0.593 19.571 19.000 -0.037 0.000 1.013 20 A HN 0.258 nan 8.150 nan 0.000 0.493 21 K N 1.118 121.519 120.400 0.002 0.000 2.097 21 K HA -0.136 4.170 4.320 -0.023 0.000 0.205 21 K C 1.976 178.579 176.600 0.004 0.000 1.050 21 K CA 1.754 58.044 56.287 0.006 0.000 0.938 21 K CB -0.135 32.367 32.500 0.002 0.000 0.718 21 K HN 0.874 nan 8.250 nan 0.000 0.442 22 S N 0.398 116.095 115.700 -0.005 0.000 2.474 22 S HA -0.123 4.333 4.470 -0.023 0.000 0.235 22 S C 1.650 176.245 174.600 -0.007 0.000 0.997 22 S CA 0.755 58.951 58.200 -0.006 0.000 0.949 22 S CB -0.205 62.988 63.200 -0.013 0.000 0.766 22 S HN 0.425 nan 8.310 nan 0.000 0.517 23 I N 2.123 122.690 120.570 -0.006 0.000 3.904 23 I HA 0.132 4.288 4.170 -0.023 0.000 0.333 23 I C 1.499 177.638 176.117 0.036 0.000 1.361 23 I CA 0.216 61.519 61.300 0.005 0.000 1.116 23 I CB 0.121 38.111 38.000 -0.017 0.000 1.028 23 I HN 0.444 nan 8.210 nan 0.000 0.398 24 S N -1.076 114.640 115.700 0.028 0.000 2.593 24 S HA 0.087 4.543 4.470 -0.023 0.000 0.217 24 S C 0.824 175.439 174.600 0.024 0.000 0.966 24 S CA 0.113 58.333 58.200 0.032 0.000 0.914 24 S CB -0.614 62.602 63.200 0.026 0.000 0.776 24 S HN 0.456 nan 8.310 nan 0.000 0.523 25 T N -0.701 113.864 114.554 0.018 0.000 2.930 25 T HA 0.702 5.038 4.350 -0.023 0.000 0.290 25 T C -0.160 174.544 174.700 0.007 0.000 1.052 25 T CA -1.050 61.056 62.100 0.011 0.000 1.017 25 T CB 0.895 69.767 68.868 0.008 0.000 1.137 25 T HN 0.179 nan 8.240 nan 0.000 0.511 26 I N 1.760 122.331 120.570 0.003 0.000 2.634 26 I HA 0.409 4.565 4.170 -0.023 0.000 0.284 26 I C 1.257 177.367 176.117 -0.012 0.000 1.124 26 I CA -0.688 60.610 61.300 -0.004 0.000 1.417 26 I CB 0.702 38.699 38.000 -0.005 0.000 1.396 26 I HN 0.940 nan 8.210 nan 0.000 0.571 27 A N 5.009 127.816 122.820 -0.021 0.000 2.498 27 A HA 0.091 4.397 4.320 -0.023 0.000 0.239 27 A C 0.166 177.727 177.584 -0.038 0.000 1.068 27 A CA -0.232 51.785 52.037 -0.034 0.000 0.766 27 A CB 0.174 19.147 19.000 -0.045 0.000 1.003 27 A HN 0.727 nan 8.150 nan 0.000 0.497 28 E N 0.855 121.026 120.200 -0.048 0.000 2.413 28 E HA 0.237 4.573 4.350 -0.023 0.000 0.263 28 E C 0.797 177.362 176.600 -0.058 0.000 1.015 28 E CA 1.042 57.411 56.400 -0.052 0.000 0.916 28 E CB 0.426 30.084 29.700 -0.069 0.000 0.947 28 E HN 0.684 nan 8.360 nan 0.000 0.440 29 S N 2.529 118.202 115.700 -0.044 0.000 2.820 29 S HA 0.242 4.698 4.470 -0.023 0.000 0.265 29 S C 0.600 175.183 174.600 -0.029 0.000 1.043 29 S CA -0.488 57.688 58.200 -0.040 0.000 1.245 29 S CB 0.204 63.385 63.200 -0.032 0.000 1.187 29 S HN 0.460 nan 8.310 nan 0.000 0.673 30 K N 0.583 120.970 120.400 -0.023 0.000 2.403 30 K HA 0.366 4.672 4.320 -0.023 0.000 0.199 30 K C 0.242 176.845 176.600 0.005 0.000 1.199 30 K CA 0.060 56.342 56.287 -0.008 0.000 0.924 30 K CB 0.718 33.215 32.500 -0.004 0.000 1.137 30 K HN 0.177 nan 8.250 nan 0.000 0.510 31 R N 0.276 120.779 120.500 0.005 0.000 2.854 31 R HA 0.297 4.622 4.340 -0.023 0.000 0.271 31 R C -1.097 175.232 176.300 0.048 0.000 0.994 31 R CA -0.865 55.260 56.100 0.041 0.000 0.945 31 R CB 1.283 31.606 30.300 0.038 0.000 1.194 31 R HN -0.141 nan 8.270 nan 0.000 0.476 32 F N 2.888 122.823 119.950 -0.025 0.000 2.543 32 F HA 0.164 4.677 4.527 -0.023 0.000 0.375 32 F C -1.563 174.215 175.800 -0.036 0.000 1.075 32 F CA -1.309 56.675 58.000 -0.027 0.000 1.225 32 F CB 0.409 39.393 39.000 -0.027 0.000 1.099 32 F HN 0.289 nan 8.300 nan 0.000 0.561 33 P HA -0.071 nan 4.420 nan 0.000 0.266 33 P C 0.353 177.699 177.300 0.076 0.000 1.193 33 P CA -0.091 62.983 63.100 -0.044 0.000 0.770 33 P CB 0.663 32.280 31.700 -0.138 0.000 0.836 34 L N 2.718 123.923 121.223 -0.030 0.000 2.102 34 L HA 0.078 4.404 4.340 -0.023 0.000 0.202 34 L C 0.732 177.448 176.870 -0.255 0.000 1.076 34 L CA 1.693 56.428 54.840 -0.175 0.000 0.761 34 L CB -0.468 41.376 42.059 -0.359 0.000 0.921 34 L HN 0.377 nan 8.230 nan 0.000 0.444 35 H N 0.069 119.167 119.070 0.047 0.000 2.651 35 H HA 0.399 4.941 4.556 -0.024 0.000 0.353 35 H C -0.485 174.859 175.328 0.027 0.000 1.178 35 H CA -0.694 55.374 56.048 0.035 0.000 1.224 35 H CB 0.908 30.682 29.762 0.020 0.000 1.702 35 H HN 0.264 nan 8.280 nan 0.000 0.550 36 E N 1.402 121.707 120.200 0.176 0.000 2.345 36 E HA 0.466 4.802 4.350 -0.023 0.000 0.259 36 E C -0.074 176.564 176.600 0.064 0.000 1.117 36 E CA -0.654 55.800 56.400 0.090 0.000 0.913 36 E CB 1.538 31.279 29.700 0.068 0.000 1.057 36 E HN 0.534 nan 8.360 nan 0.000 0.432 37 M N -1.054 118.566 119.600 0.033 0.000 2.716 37 M HA 0.506 4.972 4.480 -0.023 0.000 0.278 37 M C -0.786 175.517 176.300 0.004 0.000 1.281 37 M CA -1.184 54.125 55.300 0.016 0.000 0.814 37 M CB 1.787 34.394 32.600 0.011 0.000 1.719 37 M HN 0.206 nan 8.290 nan 0.000 0.457 38 R N 1.679 122.175 120.500 -0.006 0.000 2.504 38 R HA -0.019 4.307 4.340 -0.023 0.000 0.291 38 R C 0.302 176.598 176.300 -0.006 0.000 0.974 38 R CA 0.644 56.737 56.100 -0.012 0.000 1.077 38 R CB 0.199 30.485 30.300 -0.024 0.000 0.926 38 R HN 0.795 nan 8.270 nan 0.000 0.407 39 D N 1.980 122.377 120.400 -0.004 0.000 2.178 39 D HA -0.217 4.409 4.640 -0.023 0.000 0.202 39 D C 1.010 177.328 176.300 0.029 0.000 0.974 39 D CA 1.389 55.394 54.000 0.008 0.000 0.841 39 D CB -0.095 40.701 40.800 -0.007 0.000 0.953 39 D HN 0.627 nan 8.370 nan 0.000 0.478 40 D N 1.211 121.614 120.400 0.005 0.000 2.144 40 D HA -0.138 4.487 4.640 -0.023 0.000 0.200 40 D C 2.069 178.392 176.300 0.037 0.000 0.978 40 D CA 0.609 54.624 54.000 0.025 0.000 0.833 40 D CB -0.586 40.199 40.800 -0.026 0.000 0.961 40 D HN 0.283 nan 8.370 nan 0.000 0.470 41 V N 1.472 121.375 119.914 -0.019 0.000 2.358 41 V HA -0.141 3.965 4.120 -0.023 0.000 0.246 41 V C 2.916 178.994 176.094 -0.027 0.000 1.047 41 V CA 1.663 63.930 62.300 -0.056 0.000 1.035 41 V CB -0.857 30.929 31.823 -0.061 0.000 0.658 41 V HN 0.368 nan 8.190 nan 0.000 0.452 42 A N -0.297 122.526 122.820 0.005 0.000 1.902 42 A HA -0.247 4.059 4.320 -0.023 0.000 0.217 42 A C 2.119 179.712 177.584 0.015 0.000 1.181 42 A CA 2.079 54.117 52.037 0.003 0.000 0.623 42 A CB -0.711 18.298 19.000 0.014 0.000 0.818 42 A HN 0.537 nan 8.150 nan 0.000 0.443 43 F N 0.477 120.387 119.950 -0.068 0.000 2.146 43 F HA -0.165 4.354 4.527 -0.013 0.000 0.298 43 F C 2.385 178.141 175.800 -0.073 0.000 1.096 43 F CA 2.239 60.199 58.000 -0.067 0.000 1.275 43 F CB -0.418 38.546 39.000 -0.060 0.000 1.008 43 F HN 0.299 nan 8.300 nan 0.000 0.480 44 Q N 0.713 120.454 119.800 -0.098 0.000 2.061 44 Q HA -0.174 4.152 4.340 -0.023 0.000 0.204 44 Q C 2.079 177.959 176.000 -0.201 0.000 0.984 44 Q CA 2.243 57.939 55.803 -0.178 0.000 0.846 44 Q CB -0.515 28.148 28.738 -0.124 0.000 0.902 44 Q HN 0.453 nan 8.270 nan 0.000 0.421 45 I N 0.245 120.731 120.570 -0.139 0.000 2.127 45 I HA -0.275 3.881 4.170 -0.023 0.000 0.241 45 I C 2.280 178.295 176.117 -0.170 0.000 1.075 45 I CA 1.445 62.682 61.300 -0.105 0.000 1.334 45 I CB -1.149 36.808 38.000 -0.072 0.000 1.040 45 I HN 0.311 nan 8.210 nan 0.000 0.405 46 I N 0.677 121.112 120.570 -0.224 0.000 2.252 46 I HA -0.310 3.846 4.170 -0.023 0.000 0.245 46 I C 2.336 178.233 176.117 -0.367 0.000 1.102 46 I CA 1.574 62.724 61.300 -0.249 0.000 1.385 46 I CB -0.522 37.350 38.000 -0.213 0.000 1.064 46 I HN 0.300 nan 8.210 nan 0.000 0.414 47 N N 1.191 119.549 118.700 -0.570 0.000 2.069 47 N HA -0.242 4.484 4.740 -0.023 0.000 0.191 47 N C 1.472 176.573 175.510 -0.681 0.000 1.031 47 N CA 1.941 54.584 53.050 -0.677 0.000 0.852 47 N CB -0.041 37.911 38.487 -0.892 0.000 1.018 47 N HN 0.197 nan 8.380 nan 0.000 0.423 48 D N 0.136 120.253 120.400 -0.472 0.000 2.144 48 D HA -0.105 4.521 4.640 -0.023 0.000 0.200 48 D C 1.609 177.754 176.300 -0.258 0.000 0.978 48 D CA 0.809 54.596 54.000 -0.355 0.000 0.833 48 D CB -0.312 40.472 40.800 -0.027 0.000 0.961 48 D HN 0.513 nan 8.370 nan 0.000 0.470 49 E N 0.278 120.356 120.200 -0.203 0.000 2.153 49 E HA -0.091 4.245 4.350 -0.023 0.000 0.194 49 E C 2.128 178.646 176.600 -0.136 0.000 0.988 49 E CA 0.334 56.661 56.400 -0.122 0.000 0.811 49 E CB -0.070 29.565 29.700 -0.108 0.000 0.746 49 E HN 0.301 nan 8.360 nan 0.000 0.466 50 L N 0.290 121.366 121.223 -0.245 0.000 2.456 50 L HA -0.155 4.171 4.340 -0.023 0.000 0.224 50 L C 1.689 178.494 176.870 -0.107 0.000 1.148 50 L CA 0.440 55.162 54.840 -0.197 0.000 0.825 50 L CB -0.318 41.593 42.059 -0.246 0.000 0.937 50 L HN 0.170 nan 8.230 nan 0.000 0.450 51 Y N -0.823 119.450 120.300 -0.044 0.000 2.497 51 Y HA -0.118 4.416 4.550 -0.027 0.000 0.292 51 Y C 2.064 177.945 175.900 -0.032 0.000 1.137 51 Y CA 0.253 58.332 58.100 -0.035 0.000 1.285 51 Y CB -0.147 38.293 38.460 -0.034 0.000 0.991 51 Y HN 0.108 nan 8.280 nan 0.000 0.556 52 L N -0.144 121.138 121.223 0.098 0.000 2.599 52 L HA -0.001 4.325 4.340 -0.023 0.000 0.230 52 L C 0.076 176.964 176.870 0.029 0.000 1.141 52 L CA 0.817 55.687 54.840 0.050 0.000 0.877 52 L CB -0.901 41.172 42.059 0.022 0.000 1.009 52 L HN 0.068 nan 8.230 nan 0.000 0.447 53 D N -0.163 120.255 120.400 0.030 0.000 2.313 53 D HA 0.311 4.937 4.640 -0.023 0.000 0.247 53 D C 0.644 176.962 176.300 0.030 0.000 1.094 53 D CA 0.034 54.045 54.000 0.018 0.000 0.925 53 D CB 1.568 42.373 40.800 0.007 0.000 1.188 53 D HN 0.056 nan 8.370 nan 0.000 0.430 54 G N 0.826 109.639 108.800 0.022 0.000 2.527 54 G HA2 0.006 3.952 3.960 -0.023 0.000 0.248 54 G HA3 0.006 3.952 3.960 -0.023 0.000 0.248 54 G C 0.416 175.333 174.900 0.028 0.000 1.231 54 G CA -0.471 44.641 45.100 0.021 0.000 0.838 54 G HN 0.428 nan 8.290 nan 0.000 0.570 55 N N 1.423 120.134 118.700 0.020 0.000 2.434 55 N HA 0.085 4.811 4.740 -0.023 0.000 0.268 55 N C 1.478 177.021 175.510 0.055 0.000 1.256 55 N CA 0.292 53.363 53.050 0.035 0.000 0.914 55 N CB 1.239 39.730 38.487 0.006 0.000 1.088 55 N HN 0.430 nan 8.380 nan 0.000 0.478 56 A N 5.944 128.806 122.820 0.070 0.000 1.978 56 A HA -0.166 4.139 4.320 -0.023 0.000 0.220 56 A C 2.047 179.703 177.584 0.119 0.000 1.170 56 A CA 1.022 53.107 52.037 0.079 0.000 0.636 56 A CB -0.122 18.923 19.000 0.076 0.000 0.810 56 A HN 0.718 nan 8.150 nan 0.000 0.448 57 R N -0.324 120.278 120.500 0.171 0.000 2.189 57 R HA -0.045 4.281 4.340 -0.023 0.000 0.223 57 R C 1.476 177.970 176.300 0.323 0.000 1.092 57 R CA 1.180 57.453 56.100 0.289 0.000 0.989 57 R CB -0.444 30.056 30.300 0.334 0.000 0.876 57 R HN 0.733 nan 8.270 nan 0.000 0.457 58 Q N 0.314 120.219 119.800 0.175 0.000 2.319 58 Q HA 0.051 4.377 4.340 -0.023 0.000 0.202 58 Q C -0.110 175.973 176.000 0.138 0.000 0.896 58 Q CA -0.270 55.593 55.803 0.101 0.000 0.942 58 Q CB 0.243 28.867 28.738 -0.190 0.000 1.083 58 Q HN 0.053 nan 8.270 nan 0.000 0.510 59 N N 1.263 120.010 118.700 0.078 0.000 2.415 59 N HA 0.054 4.780 4.740 -0.023 0.000 0.250 59 N C -0.057 175.445 175.510 -0.013 0.000 1.127 59 N CA 0.118 53.197 53.050 0.049 0.000 0.945 59 N CB 0.447 38.958 38.487 0.040 0.000 1.196 59 N HN 0.184 nan 8.380 nan 0.000 0.499 60 L N 2.092 123.293 121.223 -0.036 0.000 2.653 60 L HA 0.276 4.602 4.340 -0.023 0.000 0.231 60 L C 1.568 178.400 176.870 -0.064 0.000 1.153 60 L CA -0.075 54.672 54.840 -0.155 0.000 0.933 60 L CB -0.058 41.849 42.059 -0.254 0.000 1.175 60 L HN 0.499 nan 8.230 nan 0.000 0.473 61 A N -0.754 122.075 122.820 0.015 0.000 1.956 61 A HA 0.033 4.339 4.320 -0.023 0.000 0.212 61 A C 1.368 179.041 177.584 0.148 0.000 1.188 61 A CA 0.484 52.571 52.037 0.085 0.000 0.675 61 A CB 0.003 19.054 19.000 0.086 0.000 0.845 61 A HN 0.250 nan 8.150 nan 0.000 0.455 62 T N -1.478 113.139 114.554 0.104 0.000 2.898 62 T HA 0.351 4.687 4.350 -0.023 0.000 0.301 62 T C 0.213 175.046 174.700 0.222 0.000 1.049 62 T CA -0.108 62.089 62.100 0.162 0.000 1.095 62 T CB 0.049 68.954 68.868 0.062 0.000 0.976 62 T HN 0.172 nan 8.240 nan 0.000 0.539 63 F N 1.495 121.410 119.950 -0.058 0.000 2.731 63 F HA 0.315 4.828 4.527 -0.024 0.000 0.298 63 F C 1.487 177.200 175.800 -0.145 0.000 1.106 63 F CA -0.824 57.131 58.000 -0.075 0.000 1.329 63 F CB -0.247 38.766 39.000 0.022 0.000 1.100 63 F HN 0.458 nan 8.300 nan 0.000 0.592 64 C N 1.287 120.637 119.300 0.084 0.000 2.534 64 C HA 0.292 4.738 4.460 -0.023 0.000 0.385 64 C C 0.634 175.606 174.990 -0.030 0.000 1.264 64 C CA -1.223 57.797 59.018 0.005 0.000 2.342 64 C CB 0.298 27.986 27.740 -0.087 0.000 2.564 64 C HN 0.172 nan 8.230 nan 0.000 0.603 65 Q N 1.546 121.339 119.800 -0.011 0.000 2.283 65 Q HA 0.068 4.394 4.340 -0.023 0.000 0.301 65 Q C 1.051 177.074 176.000 0.037 0.000 1.063 65 Q CA 0.769 56.583 55.803 0.018 0.000 0.952 65 Q CB 0.409 29.172 28.738 0.042 0.000 1.166 65 Q HN 0.983 nan 8.270 nan 0.000 0.381 66 T N -1.301 113.313 114.554 0.099 0.000 3.132 66 T HA 0.365 4.701 4.350 -0.023 0.000 0.274 66 T C -0.235 174.615 174.700 0.251 0.000 1.011 66 T CA -0.553 61.625 62.100 0.130 0.000 0.899 66 T CB 0.082 69.025 68.868 0.125 0.000 1.089 66 T HN 0.536 nan 8.240 nan 0.000 0.543 67 W N 1.368 122.692 121.300 0.040 0.000 3.479 67 W HA 0.540 5.188 4.660 -0.020 0.000 0.304 67 W C -2.286 174.268 176.519 0.058 0.000 1.243 67 W CA -0.622 56.764 57.345 0.068 0.000 1.202 67 W CB 1.470 30.972 29.460 0.070 0.000 1.346 67 W HN -0.008 nan 8.180 nan 0.000 0.539 68 D N 3.594 123.555 120.400 -0.732 0.000 2.732 68 D HA 0.133 4.759 4.640 -0.023 0.000 0.229 68 D C -0.752 174.794 176.300 -1.257 0.000 1.152 68 D CA -0.472 53.119 54.000 -0.682 0.000 0.854 68 D CB 2.190 42.712 40.800 -0.463 0.000 1.590 68 D HN 0.410 nan 8.370 nan 0.000 0.468 69 D N -0.339 119.560 120.400 -0.835 0.000 2.371 69 D HA -0.046 4.580 4.640 -0.023 0.000 0.242 69 D C 0.928 177.101 176.300 -0.211 0.000 1.218 69 D CA -0.230 53.440 54.000 -0.550 0.000 0.945 69 D CB 1.244 42.054 40.800 0.017 0.000 1.137 69 D HN 0.492 nan 8.370 nan 0.000 0.464 70 E N 0.055 120.177 120.200 -0.130 0.000 2.097 70 E HA -0.290 4.046 4.350 -0.023 0.000 0.196 70 E C 1.238 177.782 176.600 -0.093 0.000 1.000 70 E CA 1.232 57.572 56.400 -0.101 0.000 0.804 70 E CB 0.004 29.658 29.700 -0.077 0.000 0.740 70 E HN 0.394 nan 8.360 nan 0.000 0.454 71 N N 0.042 118.650 118.700 -0.154 0.000 2.223 71 N HA -0.130 4.596 4.740 -0.023 0.000 0.185 71 N C 1.801 177.064 175.510 -0.410 0.000 1.016 71 N CA 1.018 53.878 53.050 -0.317 0.000 0.863 71 N CB -0.156 38.017 38.487 -0.523 0.000 0.983 71 N HN 0.092 nan 8.380 nan 0.000 0.429 72 V N 1.173 120.872 119.914 -0.358 0.000 2.453 72 V HA -0.165 3.941 4.120 -0.023 0.000 0.247 72 V C 2.087 178.044 176.094 -0.229 0.000 1.048 72 V CA 1.248 63.370 62.300 -0.297 0.000 1.049 72 V CB -0.530 31.159 31.823 -0.223 0.000 0.672 72 V HN 0.411 nan 8.190 nan 0.000 0.457 73 H N 0.473 119.407 119.070 -0.226 0.000 2.353 73 H HA -0.123 4.422 4.556 -0.019 0.000 0.300 73 H C 2.384 177.628 175.328 -0.139 0.000 1.090 73 H CA 1.683 57.626 56.048 -0.174 0.000 1.327 73 H CB 0.163 29.820 29.762 -0.176 0.000 1.383 73 H HN 0.441 nan 8.280 nan 0.000 0.508 74 K N 0.463 120.845 120.400 -0.029 0.000 2.025 74 K HA -0.068 4.237 4.320 -0.023 0.000 0.207 74 K C 2.448 179.003 176.600 -0.074 0.000 1.049 74 K CA 0.700 56.954 56.287 -0.054 0.000 0.933 74 K CB -0.054 32.403 32.500 -0.073 0.000 0.714 74 K HN 0.127 nan 8.250 nan 0.000 0.438 75 L N 0.586 121.738 121.223 -0.119 0.000 2.042 75 L HA -0.205 4.121 4.340 -0.023 0.000 0.210 75 L C 2.624 179.451 176.870 -0.072 0.000 1.076 75 L CA 0.911 55.694 54.840 -0.096 0.000 0.749 75 L CB -0.357 41.624 42.059 -0.130 0.000 0.893 75 L HN 0.264 nan 8.230 nan 0.000 0.432 76 M N -0.611 118.931 119.600 -0.097 0.000 2.086 76 M HA -0.244 4.222 4.480 -0.023 0.000 0.261 76 M C 1.963 178.225 176.300 -0.063 0.000 1.067 76 M CA 1.802 57.047 55.300 -0.090 0.000 1.116 76 M CB -1.108 31.409 32.600 -0.139 0.000 1.348 76 M HN 0.226 nan 8.290 nan 0.000 0.407 77 D N 0.323 120.692 120.400 -0.052 0.000 2.117 77 D HA -0.115 4.511 4.640 -0.023 0.000 0.197 77 D C 2.096 178.381 176.300 -0.025 0.000 0.987 77 D CA 0.997 54.978 54.000 -0.031 0.000 0.829 77 D CB 0.005 40.794 40.800 -0.019 0.000 0.961 77 D HN 0.287 nan 8.370 nan 0.000 0.460 78 L N -0.343 120.865 121.223 -0.025 0.000 2.201 78 L HA -0.048 4.278 4.340 -0.023 0.000 0.212 78 L C 1.682 178.548 176.870 -0.006 0.000 1.105 78 L CA 0.827 55.660 54.840 -0.011 0.000 0.775 78 L CB -0.026 42.028 42.059 -0.008 0.000 0.913 78 L HN 0.001 nan 8.230 nan 0.000 0.440 79 S N -0.834 114.854 115.700 -0.020 0.000 2.557 79 S HA 0.132 4.587 4.470 -0.023 0.000 0.223 79 S C 1.651 176.222 174.600 -0.048 0.000 0.969 79 S CA -0.288 57.895 58.200 -0.029 0.000 0.927 79 S CB 0.230 63.414 63.200 -0.026 0.000 0.806 79 S HN 0.293 nan 8.310 nan 0.000 0.489 80 I N 2.233 122.780 120.570 -0.038 0.000 2.381 80 I HA -0.243 3.913 4.170 -0.023 0.000 0.255 80 I C 0.636 176.725 176.117 -0.046 0.000 1.140 80 I CA 1.267 62.542 61.300 -0.040 0.000 1.404 80 I CB 0.095 38.079 38.000 -0.027 0.000 1.075 80 I HN 0.232 nan 8.210 nan 0.000 0.433 81 N N 0.851 119.523 118.700 -0.046 0.000 2.204 81 N HA 0.131 4.856 4.740 -0.023 0.000 0.219 81 N C -0.481 174.937 175.510 -0.154 0.000 1.151 81 N CA 0.053 53.071 53.050 -0.052 0.000 0.867 81 N CB 0.451 38.943 38.487 0.008 0.000 1.043 81 N HN 0.314 nan 8.380 nan 0.000 0.516 82 K N 1.481 121.733 120.400 -0.248 0.000 2.276 82 K HA 0.173 4.478 4.320 -0.023 0.000 0.285 82 K C -0.227 175.997 176.600 -0.626 0.000 1.062 82 K CA -0.447 55.464 56.287 -0.627 0.000 0.918 82 K CB 0.844 33.147 32.500 -0.328 0.000 1.055 82 K HN -0.122 nan 8.250 nan 0.000 0.477 83 N N 2.792 120.901 118.700 -0.984 0.000 2.406 83 N HA -0.017 4.709 4.740 -0.023 0.000 0.251 83 N C 0.364 175.733 175.510 -0.236 0.000 1.069 83 N CA -0.276 52.534 53.050 -0.400 0.000 0.947 83 N CB 0.430 38.798 38.487 -0.198 0.000 1.111 83 N HN 0.665 nan 8.380 nan 0.000 0.497 84 W N 5.004 126.153 121.300 -0.253 0.000 2.325 84 W HA -0.183 4.462 4.660 -0.025 0.000 0.299 84 W C 1.577 177.990 176.519 -0.178 0.000 1.215 84 W CA 0.811 58.046 57.345 -0.183 0.000 1.244 84 W CB -0.053 29.308 29.460 -0.165 0.000 1.140 84 W HN 0.630 nan 8.180 nan 0.000 0.523 85 I N 0.628 121.156 120.570 -0.071 0.000 2.546 85 I HA -0.144 4.012 4.170 -0.023 0.000 0.255 85 I C 0.463 176.370 176.117 -0.351 0.000 1.163 85 I CA 1.277 62.367 61.300 -0.350 0.000 1.457 85 I CB -0.503 37.103 38.000 -0.656 0.000 1.092 85 I HN -0.239 nan 8.210 nan 0.000 0.434 86 D N 1.854 122.165 120.400 -0.148 0.000 2.600 86 D HA 0.011 4.637 4.640 -0.023 0.000 0.226 86 D C 1.329 177.648 176.300 0.031 0.000 1.119 86 D CA 0.010 54.018 54.000 0.014 0.000 1.051 86 D CB 0.301 41.237 40.800 0.227 0.000 1.106 86 D HN 0.195 nan 8.370 nan 0.000 0.491 87 K N 0.803 121.147 120.400 -0.093 0.000 2.160 87 K HA -0.205 4.101 4.320 -0.023 0.000 0.206 87 K C 1.664 178.361 176.600 0.162 0.000 1.047 87 K CA 0.939 57.181 56.287 -0.075 0.000 0.930 87 K CB 0.167 32.534 32.500 -0.221 0.000 0.720 87 K HN 0.244 nan 8.250 nan 0.000 0.450 88 E N 1.090 121.365 120.200 0.125 0.000 2.170 88 E HA -0.071 4.264 4.350 -0.023 0.000 0.191 88 E C 1.491 178.090 176.600 -0.002 0.000 0.981 88 E CA 0.864 57.320 56.400 0.093 0.000 0.830 88 E CB 0.246 29.980 29.700 0.057 0.000 0.775 88 E HN 0.385 nan 8.360 nan 0.000 0.470 89 E N -1.256 118.918 120.200 -0.043 0.000 2.230 89 E HA -0.059 4.277 4.350 -0.023 0.000 0.192 89 E C -0.182 176.104 176.600 -0.525 0.000 0.987 89 E CA 0.518 56.754 56.400 -0.273 0.000 0.841 89 E CB 0.230 29.753 29.700 -0.294 0.000 0.783 89 E HN 0.282 nan 8.360 nan 0.000 0.481 90 Y N 0.279 120.580 120.300 0.002 0.000 2.562 90 Y HA 0.201 4.737 4.550 -0.024 0.000 0.363 90 Y C -1.844 174.066 175.900 0.018 0.000 0.991 90 Y CA -2.079 56.021 58.100 -0.000 0.000 1.121 90 Y CB 0.869 39.317 38.460 -0.019 0.000 1.159 90 Y HN 0.032 nan 8.280 nan 0.000 0.651 91 P HA -0.221 nan 4.420 nan 0.000 0.218 91 P C 1.359 178.773 177.300 0.191 0.000 1.149 91 P CA 1.375 64.609 63.100 0.223 0.000 0.817 91 P CB 0.713 32.463 31.700 0.083 0.000 0.785 92 Q N 0.249 120.116 119.800 0.112 0.000 2.187 92 Q HA 0.013 4.339 4.340 -0.023 0.000 0.199 92 Q C 2.372 178.408 176.000 0.060 0.000 0.957 92 Q CA 1.387 57.239 55.803 0.082 0.000 0.857 92 Q CB -0.987 27.789 28.738 0.064 0.000 0.929 92 Q HN 0.073 nan 8.270 nan 0.000 0.453 93 S N 0.041 115.787 115.700 0.076 0.000 2.382 93 S HA -0.116 4.340 4.470 -0.023 0.000 0.228 93 S C 1.842 176.425 174.600 -0.028 0.000 1.027 93 S CA 0.970 59.194 58.200 0.040 0.000 0.991 93 S CB -0.428 62.806 63.200 0.055 0.000 0.823 93 S HN 0.579 nan 8.310 nan 0.000 0.469 94 A N 1.436 124.220 122.820 -0.059 0.000 1.902 94 A HA 0.122 4.428 4.320 -0.023 0.000 0.217 94 A C 2.330 179.835 177.584 -0.132 0.000 1.181 94 A CA 1.665 53.575 52.037 -0.210 0.000 0.623 94 A CB -0.994 17.816 19.000 -0.317 0.000 0.818 94 A HN 0.511 nan 8.150 nan 0.000 0.443 95 A N -0.110 122.717 122.820 0.012 0.000 1.898 95 A HA -0.046 4.260 4.320 -0.023 0.000 0.216 95 A C 2.107 179.649 177.584 -0.070 0.000 1.181 95 A CA 1.432 53.489 52.037 0.032 0.000 0.620 95 A CB -0.567 18.485 19.000 0.087 0.000 0.819 95 A HN 0.487 nan 8.150 nan 0.000 0.442 96 I N -0.101 120.395 120.570 -0.124 0.000 2.226 96 I HA -0.246 3.910 4.170 -0.023 0.000 0.245 96 I C 2.397 178.408 176.117 -0.177 0.000 1.100 96 I CA 1.759 62.869 61.300 -0.317 0.000 1.374 96 I CB -0.339 37.499 38.000 -0.269 0.000 1.057 96 I HN 0.485 nan 8.210 nan 0.000 0.413 97 D N 1.335 121.735 120.400 -0.000 0.000 2.123 97 D HA -0.193 4.433 4.640 -0.023 0.000 0.196 97 D C 2.289 178.696 176.300 0.179 0.000 0.992 97 D CA 1.399 55.514 54.000 0.192 0.000 0.833 97 D CB 0.033 40.955 40.800 0.203 0.000 0.954 97 D HN 0.312 nan 8.370 nan 0.000 0.455 98 L N 0.231 121.486 121.223 0.054 0.000 2.131 98 L HA -0.109 4.217 4.340 -0.023 0.000 0.210 98 L C 2.921 179.817 176.870 0.044 0.000 1.092 98 L CA 0.808 55.680 54.840 0.054 0.000 0.759 98 L CB -0.243 41.819 42.059 0.005 0.000 0.903 98 L HN -0.019 nan 8.230 nan 0.000 0.435 99 R N -1.091 119.406 120.500 -0.006 0.000 2.075 99 R HA -0.122 4.204 4.340 -0.023 0.000 0.232 99 R C 2.411 178.754 176.300 0.072 0.000 1.126 99 R CA 1.539 57.644 56.100 0.008 0.000 0.963 99 R CB -0.669 29.575 30.300 -0.094 0.000 0.858 99 R HN 0.387 nan 8.270 nan 0.000 0.435 100 C N 0.195 119.550 119.300 0.092 0.000 2.429 100 C HA -0.059 4.387 4.460 -0.023 0.000 0.277 100 C C 2.721 177.588 174.990 -0.204 0.000 1.262 100 C CA 0.411 59.471 59.018 0.070 0.000 1.733 100 C CB -0.636 27.140 27.740 0.059 0.000 2.010 100 C HN 0.287 nan 8.230 nan 0.000 0.483 101 V N 1.987 121.857 119.914 -0.073 0.000 2.332 101 V HA -0.233 3.873 4.120 -0.023 0.000 0.248 101 V C 2.230 178.271 176.094 -0.087 0.000 1.055 101 V CA 2.147 64.425 62.300 -0.037 0.000 1.038 101 V CB -0.679 31.247 31.823 0.171 0.000 0.651 101 V HN 0.542 nan 8.190 nan 0.000 0.450 102 N N -0.113 118.561 118.700 -0.044 0.000 2.120 102 N HA -0.119 4.606 4.740 -0.023 0.000 0.188 102 N C 1.811 177.242 175.510 -0.132 0.000 1.024 102 N CA 1.658 54.672 53.050 -0.059 0.000 0.852 102 N CB -0.356 38.120 38.487 -0.018 0.000 1.003 102 N HN 0.449 nan 8.380 nan 0.000 0.424 103 M N -0.044 119.469 119.600 -0.145 0.000 2.132 103 M HA -0.081 4.385 4.480 -0.023 0.000 0.263 103 M C 2.048 178.081 176.300 -0.445 0.000 1.065 103 M CA 0.985 56.136 55.300 -0.250 0.000 1.122 103 M CB -0.193 32.286 32.600 -0.202 0.000 1.365 103 M HN -0.098 nan 8.290 nan 0.000 0.411 104 V N 0.451 120.046 119.914 -0.531 0.000 2.358 104 V HA -0.209 3.897 4.120 -0.023 0.000 0.246 104 V C 2.669 178.275 176.094 -0.814 0.000 1.047 104 V CA 1.933 63.727 62.300 -0.843 0.000 1.035 104 V CB -1.167 30.067 31.823 -0.981 0.000 0.658 104 V HN 0.503 nan 8.190 nan 0.000 0.452 105 A N 0.292 122.867 122.820 -0.410 0.000 1.902 105 A HA -0.306 4.000 4.320 -0.023 0.000 0.217 105 A C 2.039 179.541 177.584 -0.137 0.000 1.181 105 A CA 2.230 54.181 52.037 -0.144 0.000 0.623 105 A CB -0.694 18.262 19.000 -0.073 0.000 0.818 105 A HN 0.628 nan 8.150 nan 0.000 0.443 106 D N -0.650 119.619 120.400 -0.218 0.000 2.117 106 D HA -0.147 4.479 4.640 -0.023 0.000 0.197 106 D C 1.729 177.845 176.300 -0.306 0.000 0.987 106 D CA 1.251 55.121 54.000 -0.216 0.000 0.829 106 D CB -0.220 40.460 40.800 -0.200 0.000 0.961 106 D HN 0.238 nan 8.370 nan 0.000 0.460 107 L N -0.396 120.595 121.223 -0.387 0.000 2.131 107 L HA -0.062 4.264 4.340 -0.023 0.000 0.210 107 L C 1.028 177.786 176.870 -0.187 0.000 1.092 107 L CA 1.219 55.822 54.840 -0.396 0.000 0.759 107 L CB -0.401 41.335 42.059 -0.539 0.000 0.903 107 L HN 0.244 nan 8.230 nan 0.000 0.435 108 W N -0.409 120.750 121.300 -0.235 0.000 3.325 108 W HA 0.242 4.888 4.660 -0.023 0.000 0.370 108 W C 0.534 177.036 176.519 -0.028 0.000 1.169 108 W CA -0.234 56.974 57.345 -0.229 0.000 1.874 108 W CB -1.540 27.775 29.460 -0.242 0.000 1.076 108 W HN 0.424 nan 8.180 nan 0.000 0.684 109 H N -1.321 117.794 119.070 0.076 0.000 2.820 109 H HA -0.117 4.425 4.556 -0.023 0.000 0.295 109 H C 0.987 176.375 175.328 0.100 0.000 1.187 109 H CA 0.532 56.599 56.048 0.032 0.000 1.144 109 H CB -1.538 28.190 29.762 -0.056 0.000 1.354 109 H HN 0.090 nan 8.280 nan 0.000 0.395 110 A N 0.468 123.400 122.820 0.185 0.000 2.425 110 A HA 0.409 4.715 4.320 -0.023 0.000 0.242 110 A C -1.589 175.922 177.584 -0.122 0.000 1.077 110 A CA -0.971 50.964 52.037 -0.170 0.000 0.781 110 A CB 0.251 19.011 19.000 -0.400 0.000 1.020 110 A HN 0.151 nan 8.150 nan 0.000 0.494 111 P HA 0.219 nan 4.420 nan 0.000 0.265 111 P C -0.167 177.087 177.300 -0.077 0.000 1.193 111 P CA 0.530 63.579 63.100 -0.085 0.000 0.765 111 P CB 0.484 32.133 31.700 -0.086 0.000 0.823 112 A N 5.556 128.348 122.820 -0.048 0.000 2.548 112 A HA 0.206 4.511 4.320 -0.023 0.000 0.247 112 A C -1.777 175.785 177.584 -0.037 0.000 1.067 112 A CA -0.689 51.323 52.037 -0.041 0.000 0.757 112 A CB -1.249 17.734 19.000 -0.028 0.000 0.996 112 A HN 0.414 nan 8.150 nan 0.000 0.504 113 P HA 0.140 nan 4.420 nan 0.000 0.270 113 P C 0.490 177.782 177.300 -0.015 0.000 1.242 113 P CA -0.082 63.004 63.100 -0.024 0.000 0.768 113 P CB 0.669 32.359 31.700 -0.016 0.000 0.820 114 K N 2.598 122.990 120.400 -0.013 0.000 2.063 114 K HA -0.170 4.136 4.320 -0.023 0.000 0.208 114 K C 1.293 177.891 176.600 -0.004 0.000 1.048 114 K CA 1.677 57.959 56.287 -0.009 0.000 0.928 114 K CB -0.197 32.298 32.500 -0.009 0.000 0.713 114 K HN 0.522 nan 8.250 nan 0.000 0.442 115 N N -0.315 118.384 118.700 -0.002 0.000 2.370 115 N HA 0.011 4.737 4.740 -0.023 0.000 0.198 115 N C 0.832 176.347 175.510 0.008 0.000 1.156 115 N CA 0.866 53.918 53.050 0.003 0.000 0.839 115 N CB 0.504 38.994 38.487 0.005 0.000 0.989 115 N HN 0.270 nan 8.380 nan 0.000 0.468 116 G N -0.734 108.069 108.800 0.004 0.000 2.184 116 G HA2 -0.311 3.635 3.960 -0.023 0.000 0.264 116 G HA3 -0.311 3.635 3.960 -0.023 0.000 0.264 116 G C -0.239 174.668 174.900 0.012 0.000 0.975 116 G CA 0.507 45.611 45.100 0.007 0.000 0.642 116 G HN 0.692 nan 8.290 nan 0.000 0.536 117 Q N 0.223 120.032 119.800 0.014 0.000 2.290 117 Q HA 0.757 5.083 4.340 -0.023 0.000 0.269 117 Q C 0.154 176.169 176.000 0.025 0.000 1.016 117 Q CA 0.373 56.191 55.803 0.024 0.000 0.754 117 Q CB 1.254 30.012 28.738 0.035 0.000 1.247 117 Q HN 1.174 nan 8.270 nan 0.000 0.451 118 A N 2.728 125.563 122.820 0.026 0.000 2.406 118 A HA 0.463 4.769 4.320 -0.023 0.000 0.243 118 A C -0.466 177.172 177.584 0.089 0.000 1.082 118 A CA -0.348 51.708 52.037 0.032 0.000 0.786 118 A CB 0.516 19.524 19.000 0.012 0.000 1.029 118 A HN 0.592 nan 8.150 nan 0.000 0.495 119 V N 1.867 121.853 119.914 0.120 0.000 2.368 119 V HA 0.631 4.737 4.120 -0.023 0.000 0.266 119 V C 0.822 177.167 176.094 0.419 0.000 1.045 119 V CA 0.908 63.337 62.300 0.216 0.000 0.899 119 V CB -0.152 31.784 31.823 0.188 0.000 1.006 119 V HN 1.475 nan 8.190 nan 0.000 0.470 120 G N 3.064 112.144 108.800 0.467 0.000 2.322 120 G HA2 0.568 4.514 3.960 -0.023 0.000 0.295 120 G HA3 0.568 4.514 3.960 -0.023 0.000 0.295 120 G C -1.053 174.176 174.900 0.549 0.000 1.369 120 G CA 0.093 45.568 45.100 0.624 0.000 0.821 120 G HN 0.705 nan 8.290 nan 0.000 0.536 121 T N -0.703 114.196 114.554 0.575 0.000 2.840 121 T HA 0.513 4.849 4.350 -0.023 0.000 0.317 121 T C -1.160 173.801 174.700 0.435 0.000 1.401 121 T CA -0.641 61.770 62.100 0.518 0.000 1.028 121 T CB 1.724 70.880 68.868 0.480 0.000 1.317 121 T HN 0.792 nan 8.240 nan 0.000 0.495 122 N N 1.136 120.007 118.700 0.285 0.000 2.515 122 N HA 0.564 5.290 4.740 -0.023 0.000 0.279 122 N C -0.443 174.787 175.510 -0.466 0.000 1.164 122 N CA 0.013 52.820 53.050 -0.405 0.000 0.982 122 N CB 1.431 39.619 38.487 -0.499 0.000 1.170 122 N HN 0.887 nan 8.380 nan 0.000 0.474 123 T N -0.543 113.634 114.554 -0.628 0.000 2.812 123 T HA 0.348 4.684 4.350 -0.023 0.000 0.294 123 T C 1.372 175.761 174.700 -0.519 0.000 1.159 123 T CA -0.782 61.012 62.100 -0.511 0.000 1.008 123 T CB 0.721 69.415 68.868 -0.290 0.000 1.289 123 T HN 0.238 nan 8.240 nan 0.000 0.514 124 I N 0.872 121.218 120.570 -0.374 0.000 2.394 124 I HA 0.226 4.382 4.170 -0.023 0.000 0.251 124 I C 1.446 177.475 176.117 -0.146 0.000 1.136 124 I CA 1.724 62.870 61.300 -0.257 0.000 1.425 124 I CB -1.218 36.682 38.000 -0.166 0.000 1.079 124 I HN 1.025 nan 8.210 nan 0.000 0.425 125 G N -1.717 106.989 108.800 -0.158 0.000 2.488 125 G HA2 0.210 4.156 3.960 -0.023 0.000 0.301 125 G HA3 0.210 4.156 3.960 -0.023 0.000 0.301 125 G C 0.186 175.024 174.900 -0.103 0.000 1.339 125 G CA 0.059 45.094 45.100 -0.109 0.000 0.803 125 G HN -0.153 nan 8.290 nan 0.000 0.482 126 S N -0.522 115.154 115.700 -0.039 0.000 2.423 126 S HA -0.082 4.374 4.470 -0.023 0.000 0.231 126 S C 2.537 177.083 174.600 -0.090 0.000 1.014 126 S CA 1.757 59.950 58.200 -0.013 0.000 0.965 126 S CB -0.169 63.066 63.200 0.058 0.000 0.785 126 S HN 0.676 nan 8.310 nan 0.000 0.495 127 S N 1.418 117.064 115.700 -0.089 0.000 2.353 127 S HA -0.193 4.263 4.470 -0.023 0.000 0.222 127 S C 1.944 176.451 174.600 -0.155 0.000 1.035 127 S CA 1.741 59.856 58.200 -0.142 0.000 1.025 127 S CB -0.396 62.763 63.200 -0.067 0.000 0.902 127 S HN 0.678 nan 8.310 nan 0.000 0.440 128 E N 0.317 120.454 120.200 -0.106 0.000 2.077 128 E HA -0.108 4.228 4.350 -0.023 0.000 0.193 128 E C 2.113 178.613 176.600 -0.166 0.000 0.989 128 E CA 1.053 57.388 56.400 -0.109 0.000 0.800 128 E CB -0.463 29.170 29.700 -0.111 0.000 0.746 128 E HN 0.580 nan 8.360 nan 0.000 0.452 129 A N 0.531 123.263 122.820 -0.148 0.000 1.908 129 A HA -0.214 4.091 4.320 -0.023 0.000 0.218 129 A C 2.470 179.940 177.584 -0.190 0.000 1.181 129 A CA 1.532 53.498 52.037 -0.118 0.000 0.627 129 A CB -0.969 18.021 19.000 -0.017 0.000 0.818 129 A HN 0.549 nan 8.150 nan 0.000 0.445 130 C N -0.711 118.413 119.300 -0.294 0.000 2.440 130 C HA -0.073 4.373 4.460 -0.023 0.000 0.278 130 C C 2.884 177.407 174.990 -0.779 0.000 1.295 130 C CA 1.209 59.862 59.018 -0.607 0.000 1.738 130 C CB -0.984 26.134 27.740 -1.037 0.000 1.987 130 C HN 0.586 nan 8.230 nan 0.000 0.492 131 M N 0.353 119.633 119.600 -0.533 0.000 2.175 131 M HA -0.032 4.434 4.480 -0.023 0.000 0.264 131 M C 2.050 178.097 176.300 -0.421 0.000 1.063 131 M CA 1.517 56.552 55.300 -0.443 0.000 1.119 131 M CB -1.242 31.286 32.600 -0.120 0.000 1.377 131 M HN 0.383 nan 8.290 nan 0.000 0.415 132 L N -0.463 120.569 121.223 -0.318 0.000 2.056 132 L HA -0.084 4.242 4.340 -0.023 0.000 0.207 132 L C 2.718 179.665 176.870 0.127 0.000 1.078 132 L CA 1.347 56.029 54.840 -0.263 0.000 0.749 132 L CB -1.394 40.441 42.059 -0.374 0.000 0.901 132 L HN 0.358 nan 8.230 nan 0.000 0.433 133 G N -0.239 108.521 108.800 -0.067 0.000 2.422 133 G HA2 -0.177 3.769 3.960 -0.023 0.000 0.218 133 G HA3 -0.177 3.769 3.960 -0.023 0.000 0.218 133 G C 1.578 176.411 174.900 -0.111 0.000 1.146 133 G CA 0.737 45.797 45.100 -0.066 0.000 0.769 133 G HN 0.483 nan 8.290 nan 0.000 0.547 134 G N 0.519 109.065 108.800 -0.422 0.000 2.402 134 G HA2 -0.144 3.802 3.960 -0.023 0.000 0.216 134 G HA3 -0.144 3.802 3.960 -0.023 0.000 0.216 134 G C 1.870 176.719 174.900 -0.085 0.000 1.162 134 G CA 0.810 45.540 45.100 -0.616 0.000 0.777 134 G HN 0.386 nan 8.290 nan 0.000 0.539 135 M N 0.725 120.310 119.600 -0.026 0.000 2.117 135 M HA -0.024 4.442 4.480 -0.023 0.000 0.262 135 M C 3.056 179.559 176.300 0.338 0.000 1.065 135 M CA 1.404 56.793 55.300 0.148 0.000 1.114 135 M CB -0.232 32.450 32.600 0.137 0.000 1.361 135 M HN 0.339 nan 8.290 nan 0.000 0.408 136 A N 0.029 123.081 122.820 0.386 0.000 1.933 136 A HA -0.162 4.144 4.320 -0.023 0.000 0.218 136 A C 2.117 179.937 177.584 0.393 0.000 1.175 136 A CA 1.429 53.700 52.037 0.390 0.000 0.628 136 A CB -0.561 18.772 19.000 0.555 0.000 0.814 136 A HN 0.439 nan 8.150 nan 0.000 0.444 137 M N -0.959 118.845 119.600 0.341 0.000 2.086 137 M HA -0.169 4.297 4.480 -0.023 0.000 0.261 137 M C 2.341 178.859 176.300 0.364 0.000 1.067 137 M CA 2.068 57.552 55.300 0.307 0.000 1.116 137 M CB -0.321 32.395 32.600 0.195 0.000 1.348 137 M HN 0.492 nan 8.290 nan 0.000 0.407 138 K N -0.218 120.408 120.400 0.376 0.000 2.063 138 K HA -0.244 4.062 4.320 -0.023 0.000 0.208 138 K C 2.070 178.959 176.600 0.483 0.000 1.048 138 K CA 1.489 58.032 56.287 0.427 0.000 0.928 138 K CB -0.268 32.476 32.500 0.406 0.000 0.713 138 K HN 0.469 nan 8.250 nan 0.000 0.442 139 W N 2.094 123.554 121.300 0.267 0.000 2.381 139 W HA -0.146 4.500 4.660 -0.023 0.000 0.301 139 W C 1.686 178.309 176.519 0.173 0.000 1.205 139 W CA 1.356 58.819 57.345 0.196 0.000 1.285 139 W CB -0.178 29.358 29.460 0.126 0.000 1.133 139 W HN 0.100 nan 8.180 nan 0.000 0.521 140 R N -1.036 119.759 120.500 0.492 0.000 2.096 140 R HA -0.218 4.108 4.340 -0.023 0.000 0.235 140 R C 2.090 178.553 176.300 0.272 0.000 1.127 140 R CA 2.004 58.316 56.100 0.355 0.000 0.968 140 R CB -1.312 29.175 30.300 0.312 0.000 0.861 140 R HN 0.228 nan 8.270 nan 0.000 0.440 141 W N 2.057 123.441 121.300 0.139 0.000 2.355 141 W HA -0.133 4.513 4.660 -0.023 0.000 0.309 141 W C 1.959 178.501 176.519 0.039 0.000 1.206 141 W CA 1.196 58.596 57.345 0.092 0.000 1.284 141 W CB -0.109 29.413 29.460 0.104 0.000 1.145 141 W HN -0.145 nan 8.180 nan 0.000 0.502 142 R N 0.191 120.643 120.500 -0.080 0.000 2.105 142 R HA -0.155 4.171 4.340 -0.023 0.000 0.239 142 R C 2.210 178.283 176.300 -0.378 0.000 1.135 142 R CA 1.395 57.241 56.100 -0.424 0.000 0.967 142 R CB -0.455 29.689 30.300 -0.261 0.000 0.861 142 R HN 0.062 nan 8.270 nan 0.000 0.442 143 K N 0.561 120.830 120.400 -0.219 0.000 2.097 143 K HA -0.122 4.184 4.320 -0.023 0.000 0.205 143 K C 1.991 178.510 176.600 -0.136 0.000 1.050 143 K CA 0.959 57.165 56.287 -0.134 0.000 0.938 143 K CB -0.241 32.270 32.500 0.019 0.000 0.718 143 K HN 0.162 nan 8.250 nan 0.000 0.442 144 R N 0.198 120.613 120.500 -0.141 0.000 2.081 144 R HA -0.051 4.275 4.340 -0.023 0.000 0.235 144 R C 2.147 178.315 176.300 -0.221 0.000 1.131 144 R CA 1.144 57.166 56.100 -0.130 0.000 0.960 144 R CB 0.026 30.284 30.300 -0.070 0.000 0.856 144 R HN 0.049 nan 8.270 nan 0.000 0.436 145 M N 0.466 119.814 119.600 -0.419 0.000 2.132 145 M HA -0.106 4.360 4.480 -0.023 0.000 0.263 145 M C 1.837 177.973 176.300 -0.273 0.000 1.065 145 M CA 1.592 56.639 55.300 -0.421 0.000 1.122 145 M CB -0.832 31.320 32.600 -0.746 0.000 1.365 145 M HN 0.165 nan 8.290 nan 0.000 0.411 146 E N 0.368 120.407 120.200 -0.269 0.000 2.110 146 E HA -0.120 4.216 4.350 -0.023 0.000 0.193 146 E C 1.970 178.497 176.600 -0.122 0.000 0.988 146 E CA 1.224 57.516 56.400 -0.181 0.000 0.804 146 E CB -0.128 29.465 29.700 -0.178 0.000 0.745 146 E HN 0.502 nan 8.360 nan 0.000 0.458 147 A N 0.737 123.490 122.820 -0.111 0.000 2.125 147 A HA -0.013 4.293 4.320 -0.023 0.000 0.219 147 A C 2.023 179.568 177.584 -0.065 0.000 1.156 147 A CA 1.456 53.450 52.037 -0.071 0.000 0.671 147 A CB -0.135 18.832 19.000 -0.054 0.000 0.794 147 A HN 0.246 nan 8.150 nan 0.000 0.459 148 A N -2.050 120.721 122.820 -0.082 0.000 2.503 148 A HA 0.475 4.781 4.320 -0.023 0.000 0.263 148 A C 1.527 179.072 177.584 -0.065 0.000 1.258 148 A CA 0.883 52.881 52.037 -0.065 0.000 0.936 148 A CB -0.727 18.235 19.000 -0.064 0.000 1.070 148 A HN 1.749 nan 8.150 nan 0.000 0.522 149 G N 0.310 109.065 108.800 -0.076 0.000 2.203 149 G HA2 -0.297 3.649 3.960 -0.023 0.000 0.263 149 G HA3 -0.297 3.649 3.960 -0.023 0.000 0.263 149 G C 0.152 175.009 174.900 -0.071 0.000 1.012 149 G CA 0.922 45.981 45.100 -0.068 0.000 0.749 149 G HN 0.627 nan 8.290 nan 0.000 0.512 150 K N 0.462 120.805 120.400 -0.095 0.000 2.098 150 K HA 0.516 4.822 4.320 -0.023 0.000 0.261 150 K C -2.274 174.261 176.600 -0.109 0.000 0.987 150 K CA -1.951 54.283 56.287 -0.087 0.000 0.916 150 K CB 0.920 33.368 32.500 -0.087 0.000 1.039 150 K HN 0.013 nan 8.250 nan 0.000 0.455 151 P HA 0.004 nan 4.420 nan 0.000 0.269 151 P C -0.124 177.144 177.300 -0.054 0.000 1.215 151 P CA -0.182 62.896 63.100 -0.037 0.000 0.780 151 P CB 0.525 32.234 31.700 0.015 0.000 0.898 152 T N -3.630 110.907 114.554 -0.029 0.000 3.296 152 T HA 0.112 4.448 4.350 -0.023 0.000 0.285 152 T C 0.375 175.249 174.700 0.290 0.000 1.014 152 T CA -0.333 61.782 62.100 0.026 0.000 0.920 152 T CB -0.580 68.188 68.868 -0.167 0.000 1.143 152 T HN 0.324 nan 8.240 nan 0.000 0.522 153 D N 1.143 121.670 120.400 0.211 0.000 2.339 153 D HA 0.036 4.662 4.640 -0.023 0.000 0.217 153 D C 0.734 177.135 176.300 0.168 0.000 1.050 153 D CA -0.076 54.027 54.000 0.171 0.000 0.856 153 D CB 0.099 40.958 40.800 0.098 0.000 0.922 153 D HN 0.389 nan 8.370 nan 0.000 0.518 154 K N 1.483 122.018 120.400 0.226 0.000 3.202 154 K HA 0.236 4.542 4.320 -0.023 0.000 0.206 154 K C -2.575 174.032 176.600 0.012 0.000 1.142 154 K CA -1.354 55.005 56.287 0.119 0.000 0.979 154 K CB 1.623 34.189 32.500 0.110 0.000 0.863 154 K HN 0.183 nan 8.250 nan 0.000 0.479 155 P HA -0.004 nan 4.420 nan 0.000 0.271 155 P C -1.019 176.087 177.300 -0.323 0.000 1.218 155 P CA -0.102 62.633 63.100 -0.608 0.000 0.780 155 P CB 0.703 31.969 31.700 -0.723 0.000 0.901 156 N N 1.435 119.923 118.700 -0.354 0.000 2.455 156 N HA 0.601 5.327 4.740 -0.023 0.000 0.278 156 N C -1.784 173.621 175.510 -0.174 0.000 1.291 156 N CA -0.998 51.943 53.050 -0.181 0.000 0.780 156 N CB 1.054 39.470 38.487 -0.119 0.000 1.520 156 N HN 0.234 nan 8.380 nan 0.000 0.486 157 L N 0.757 121.927 121.223 -0.089 0.000 2.381 157 L HA 0.652 4.978 4.340 -0.023 0.000 0.274 157 L C -1.545 175.263 176.870 -0.105 0.000 0.988 157 L CA -0.868 53.926 54.840 -0.077 0.000 0.824 157 L CB 1.888 43.965 42.059 0.029 0.000 1.263 157 L HN 0.539 nan 8.230 nan 0.000 0.410 158 V N 4.735 124.572 119.914 -0.128 0.000 2.439 158 V HA 0.676 4.782 4.120 -0.023 0.000 0.282 158 V C 0.186 176.183 176.094 -0.163 0.000 1.039 158 V CA -0.073 62.150 62.300 -0.129 0.000 0.913 158 V CB 0.946 32.696 31.823 -0.122 0.000 0.983 158 V HN 1.083 nan 8.190 nan 0.000 0.460 159 C N 2.554 121.766 119.300 -0.146 0.000 3.314 159 C HA 0.977 5.423 4.460 -0.023 0.000 0.344 159 C C 0.505 175.445 174.990 -0.082 0.000 1.461 159 C CA -0.052 58.869 59.018 -0.161 0.000 1.249 159 C CB 1.168 28.747 27.740 -0.269 0.000 1.632 159 C HN 0.956 nan 8.230 nan 0.000 0.452 160 G N -0.434 108.338 108.800 -0.046 0.000 3.019 160 G HA2 0.756 4.702 3.960 -0.023 0.000 0.152 160 G HA3 0.756 4.702 3.960 -0.023 0.000 0.152 160 G C -2.566 172.371 174.900 0.061 0.000 1.320 160 G CA -0.718 44.396 45.100 0.022 0.000 1.013 160 G HN 0.805 nan 8.290 nan 0.000 0.593 161 P HA 0.168 nan 4.420 nan 0.000 0.249 161 P C 0.417 177.914 177.300 0.328 0.000 1.737 161 P CA -0.082 63.141 63.100 0.204 0.000 1.128 161 P CB -0.099 31.733 31.700 0.221 0.000 1.942 162 V N -0.031 120.047 119.914 0.273 0.000 3.133 162 V HA 0.254 4.360 4.120 -0.023 0.000 0.305 162 V C 0.659 177.004 176.094 0.418 0.000 1.084 162 V CA -0.731 61.751 62.300 0.303 0.000 1.089 162 V CB 0.497 32.460 31.823 0.234 0.000 1.073 162 V HN 0.266 nan 8.190 nan 0.000 0.477 163 Q N 0.470 120.475 119.800 0.342 0.000 2.368 163 Q HA 0.187 4.513 4.340 -0.023 0.000 0.237 163 Q C 0.812 176.985 176.000 0.288 0.000 0.987 163 Q CA -0.323 55.590 55.803 0.184 0.000 0.896 163 Q CB 1.259 30.022 28.738 0.041 0.000 1.241 163 Q HN 0.862 nan 8.270 nan 0.000 0.485 164 I N 2.853 123.515 120.570 0.153 0.000 2.399 164 I HA -0.325 3.831 4.170 -0.023 0.000 0.254 164 I C 2.288 178.489 176.117 0.140 0.000 1.146 164 I CA 1.498 62.876 61.300 0.129 0.000 1.412 164 I CB -0.448 37.545 38.000 -0.012 0.000 1.076 164 I HN 0.848 nan 8.210 nan 0.000 0.432 165 C N -1.319 117.999 119.300 0.030 0.000 2.411 165 C HA -0.174 4.272 4.460 -0.023 0.000 0.279 165 C C 2.453 177.371 174.990 -0.119 0.000 1.288 165 C CA 0.185 59.140 59.018 -0.104 0.000 1.764 165 C CB -2.232 25.354 27.740 -0.255 0.000 1.974 165 C HN 0.672 nan 8.230 nan 0.000 0.498 166 W N 0.070 121.453 121.300 0.138 0.000 2.467 166 W HA 0.052 4.698 4.660 -0.023 0.000 0.275 166 W C 2.924 179.513 176.519 0.116 0.000 1.239 166 W CA 1.127 58.547 57.345 0.127 0.000 1.266 166 W CB -0.516 28.974 29.460 0.050 0.000 1.112 166 W HN 0.502 nan 8.180 nan 0.000 0.576 167 H N 0.127 119.329 119.070 0.221 0.000 2.395 167 H HA -0.031 4.511 4.556 -0.024 0.000 0.299 167 H C 1.827 177.135 175.328 -0.033 0.000 1.070 167 H CA 1.220 57.330 56.048 0.103 0.000 1.356 167 H CB 0.076 29.872 29.762 0.056 0.000 1.401 167 H HN 0.226 nan 8.280 nan 0.000 0.524 168 K N 0.381 120.780 120.400 -0.002 0.000 2.097 168 K HA -0.120 4.186 4.320 -0.023 0.000 0.205 168 K C 2.043 178.402 176.600 -0.401 0.000 1.050 168 K CA 0.956 56.982 56.287 -0.436 0.000 0.938 168 K CB -0.193 32.058 32.500 -0.415 0.000 0.718 168 K HN 0.087 nan 8.250 nan 0.000 0.442 169 F N 2.144 122.045 119.950 -0.083 0.000 2.095 169 F HA -0.215 4.297 4.527 -0.024 0.000 0.298 169 F C 2.211 178.173 175.800 0.271 0.000 1.104 169 F CA 1.488 59.613 58.000 0.208 0.000 1.232 169 F CB -0.529 38.528 39.000 0.095 0.000 0.987 169 F HN -0.031 nan 8.300 nan 0.000 0.475 170 A N 0.391 123.212 122.820 0.003 0.000 1.908 170 A HA -0.219 4.087 4.320 -0.023 0.000 0.218 170 A C 2.224 179.736 177.584 -0.119 0.000 1.181 170 A CA 1.958 53.931 52.037 -0.106 0.000 0.627 170 A CB -0.792 18.225 19.000 0.029 0.000 0.818 170 A HN 0.439 nan 8.150 nan 0.000 0.445 171 R N -1.039 119.391 120.500 -0.117 0.000 2.062 171 R HA -0.097 4.229 4.340 -0.023 0.000 0.231 171 R C 1.792 178.086 176.300 -0.010 0.000 1.136 171 R CA 1.835 57.884 56.100 -0.084 0.000 0.948 171 R CB -0.970 29.254 30.300 -0.127 0.000 0.845 171 R HN 0.528 nan 8.270 nan 0.000 0.430 172 Y N -1.447 118.780 120.300 -0.122 0.000 2.293 172 Y HA -0.093 4.443 4.550 -0.024 0.000 0.291 172 Y C 1.374 176.956 175.900 -0.530 0.000 1.137 172 Y CA 0.155 58.042 58.100 -0.354 0.000 1.202 172 Y CB -0.407 37.742 38.460 -0.518 0.000 0.990 172 Y HN 0.186 nan 8.280 nan 0.000 0.537 173 W N 0.749 121.971 121.300 -0.132 0.000 3.102 173 W HA 0.175 4.820 4.660 -0.024 0.000 0.401 173 W C -0.380 176.036 176.519 -0.173 0.000 1.070 173 W CA -0.166 57.066 57.345 -0.187 0.000 1.921 173 W CB 0.008 29.230 29.460 -0.396 0.000 1.118 173 W HN 0.090 nan 8.180 nan 0.000 0.647 174 D N 1.030 121.424 120.400 -0.010 0.000 2.697 174 D HA -0.152 4.474 4.640 -0.023 0.000 0.235 174 D C -0.372 175.920 176.300 -0.014 0.000 1.167 174 D CA 0.802 54.799 54.000 -0.005 0.000 0.656 174 D CB -1.482 39.331 40.800 0.023 0.000 1.025 174 D HN -0.122 nan 8.370 nan 0.000 0.419 175 V N 0.574 120.448 119.914 -0.066 0.000 2.495 175 V HA 0.195 4.301 4.120 -0.023 0.000 0.298 175 V C 0.647 176.717 176.094 -0.041 0.000 1.031 175 V CA -0.834 61.430 62.300 -0.060 0.000 0.871 175 V CB 2.241 34.028 31.823 -0.061 0.000 0.988 175 V HN 0.124 nan 8.190 nan 0.000 0.432 176 E N 3.375 123.549 120.200 -0.044 0.000 2.265 176 E HA 0.194 4.530 4.350 -0.023 0.000 0.272 176 E C -0.937 175.643 176.600 -0.034 0.000 1.067 176 E CA -0.604 55.775 56.400 -0.035 0.000 0.900 176 E CB 0.949 30.627 29.700 -0.037 0.000 1.017 176 E HN 0.517 nan 8.360 nan 0.000 0.431 177 L N 5.952 127.156 121.223 -0.032 0.000 2.278 177 L HA 0.209 4.535 4.340 -0.023 0.000 0.287 177 L C -0.226 176.606 176.870 -0.063 0.000 1.072 177 L CA 0.173 54.983 54.840 -0.051 0.000 0.819 177 L CB 0.524 42.521 42.059 -0.103 0.000 1.176 177 L HN 0.481 nan 8.230 nan 0.000 0.435 178 R N 4.610 125.069 120.500 -0.068 0.000 2.755 178 R HA 0.197 4.523 4.340 -0.023 0.000 0.268 178 R C -0.511 175.747 176.300 -0.071 0.000 1.295 178 R CA -0.207 55.856 56.100 -0.062 0.000 1.379 178 R CB 0.354 30.617 30.300 -0.063 0.000 1.170 178 R HN 0.592 nan 8.270 nan 0.000 0.584 179 E N 3.260 123.422 120.200 -0.063 0.000 2.152 179 E HA 0.094 4.430 4.350 -0.023 0.000 0.285 179 E C -0.520 176.062 176.600 -0.031 0.000 1.043 179 E CA -0.823 55.546 56.400 -0.051 0.000 0.839 179 E CB 0.636 30.315 29.700 -0.035 0.000 1.069 179 E HN 0.259 nan 8.360 nan 0.000 0.399 180 I N 8.448 128.998 120.570 -0.034 0.000 2.517 180 I HA 0.083 4.239 4.170 -0.023 0.000 0.285 180 I C -1.827 174.274 176.117 -0.027 0.000 1.106 180 I CA -1.922 59.358 61.300 -0.033 0.000 1.402 180 I CB 0.437 38.417 38.000 -0.035 0.000 1.399 180 I HN 0.427 nan 8.210 nan 0.000 0.535 181 P HA 0.181 nan 4.420 nan 0.000 0.274 181 P C -0.588 176.676 177.300 -0.060 0.000 1.231 181 P CA -0.548 62.529 63.100 -0.038 0.000 0.790 181 P CB 0.752 32.430 31.700 -0.036 0.000 0.951 182 M N 2.367 121.931 119.600 -0.059 0.000 2.240 182 M HA 0.275 4.741 4.480 -0.023 0.000 0.333 182 M C 1.002 177.254 176.300 -0.081 0.000 1.110 182 M CA 0.499 55.754 55.300 -0.075 0.000 1.173 182 M CB 0.364 32.938 32.600 -0.043 0.000 1.458 182 M HN 0.385 nan 8.290 nan 0.000 0.458 183 R N 1.034 121.471 120.500 -0.104 0.000 2.680 183 R HA 0.619 4.945 4.340 -0.023 0.000 0.269 183 R C -3.238 173.015 176.300 -0.079 0.000 1.026 183 R CA -2.108 53.943 56.100 -0.082 0.000 0.889 183 R CB 0.366 30.615 30.300 -0.084 0.000 1.241 183 R HN 0.229 nan 8.270 nan 0.000 0.463 184 P HA -0.054 nan 4.420 nan 0.000 0.259 184 P C 0.657 177.934 177.300 -0.038 0.000 1.163 184 P CA 2.271 65.351 63.100 -0.033 0.000 0.760 184 P CB 0.421 32.107 31.700 -0.022 0.000 0.762 185 G N 2.374 111.165 108.800 -0.016 0.000 2.184 185 G HA2 -0.303 3.643 3.960 -0.023 0.000 0.264 185 G HA3 -0.303 3.643 3.960 -0.023 0.000 0.264 185 G C 0.234 175.108 174.900 -0.044 0.000 0.975 185 G CA 0.337 45.438 45.100 0.001 0.000 0.642 185 G HN 0.649 nan 8.290 nan 0.000 0.536 186 Q N -0.244 119.454 119.800 -0.169 0.000 3.761 186 Q HA 0.463 4.789 4.340 -0.023 0.000 0.206 186 Q C 0.275 175.946 176.000 -0.547 0.000 0.900 186 Q CA -0.506 54.973 55.803 -0.539 0.000 0.737 186 Q CB 0.048 28.482 28.738 -0.506 0.000 1.454 186 Q HN 0.340 nan 8.270 nan 0.000 0.448 187 L N 3.992 125.050 121.223 -0.274 0.000 2.939 187 L HA 0.351 4.676 4.340 -0.023 0.000 0.239 187 L C -0.569 176.367 176.870 0.109 0.000 1.325 187 L CA 0.019 54.839 54.840 -0.034 0.000 1.170 187 L CB -0.970 41.161 42.059 0.121 0.000 1.538 187 L HN 0.356 nan 8.230 nan 0.000 0.452 188 F N -2.966 117.015 119.950 0.053 0.000 2.817 188 F HA 0.449 4.961 4.527 -0.024 0.000 0.317 188 F C -0.533 175.289 175.800 0.037 0.000 1.168 188 F CA -1.649 56.383 58.000 0.054 0.000 0.911 188 F CB 1.348 40.389 39.000 0.068 0.000 1.337 188 F HN -0.186 nan 8.300 nan 0.000 0.464 189 M N 3.838 123.618 119.600 0.300 0.000 2.156 189 M HA 0.245 4.711 4.480 -0.023 0.000 0.345 189 M C -0.985 175.501 176.300 0.311 0.000 1.398 189 M CA -0.245 55.159 55.300 0.172 0.000 1.148 189 M CB 0.063 32.719 32.600 0.094 0.000 1.663 189 M HN 0.703 nan 8.290 nan 0.000 0.464 190 D N 5.446 125.976 120.400 0.217 0.000 2.340 190 D HA 0.320 4.946 4.640 -0.023 0.000 0.251 190 D C -2.487 173.889 176.300 0.127 0.000 1.080 190 D CA -1.668 52.493 54.000 0.270 0.000 0.971 190 D CB 0.557 41.472 40.800 0.192 0.000 1.137 190 D HN 0.294 nan 8.370 nan 0.000 0.475 191 P HA -0.197 nan 4.420 nan 0.000 0.215 191 P C 1.505 178.812 177.300 0.013 0.000 1.157 191 P CA 1.792 64.924 63.100 0.052 0.000 0.874 191 P CB 0.156 31.893 31.700 0.062 0.000 0.790 192 K N -0.126 120.288 120.400 0.024 0.000 2.002 192 K HA -0.149 4.157 4.320 -0.023 0.000 0.209 192 K C 2.187 178.773 176.600 -0.023 0.000 1.048 192 K CA 1.411 57.700 56.287 0.002 0.000 0.930 192 K CB -0.167 32.341 32.500 0.014 0.000 0.714 192 K HN -0.066 nan 8.250 nan 0.000 0.438 193 R N 0.208 120.695 120.500 -0.020 0.000 2.115 193 R HA -0.081 4.245 4.340 -0.023 0.000 0.230 193 R C 2.444 178.708 176.300 -0.061 0.000 1.111 193 R CA 1.443 57.520 56.100 -0.038 0.000 0.976 193 R CB -0.282 29.995 30.300 -0.038 0.000 0.870 193 R HN 0.402 nan 8.270 nan 0.000 0.445 194 M N 0.787 120.351 119.600 -0.060 0.000 2.080 194 M HA -0.190 4.276 4.480 -0.023 0.000 0.260 194 M C 1.780 177.972 176.300 -0.181 0.000 1.068 194 M CA 1.748 56.989 55.300 -0.098 0.000 1.109 194 M CB 0.016 32.569 32.600 -0.079 0.000 1.342 194 M HN 0.033 nan 8.290 nan 0.000 0.405 195 I N 0.954 121.403 120.570 -0.203 0.000 2.286 195 I HA -0.259 3.897 4.170 -0.023 0.000 0.248 195 I C 2.131 178.092 176.117 -0.260 0.000 1.115 195 I CA 1.622 62.712 61.300 -0.350 0.000 1.392 195 I CB -1.569 36.293 38.000 -0.230 0.000 1.065 195 I HN 0.446 nan 8.210 nan 0.000 0.418 196 E N 0.976 121.101 120.200 -0.124 0.000 2.110 196 E HA -0.176 4.160 4.350 -0.023 0.000 0.193 196 E C 2.270 178.828 176.600 -0.070 0.000 0.988 196 E CA 1.408 57.769 56.400 -0.064 0.000 0.804 196 E CB -0.129 29.549 29.700 -0.036 0.000 0.745 196 E HN 0.495 nan 8.360 nan 0.000 0.458 197 A N 0.778 123.539 122.820 -0.097 0.000 2.014 197 A HA -0.049 4.257 4.320 -0.023 0.000 0.218 197 A C 1.267 178.793 177.584 -0.097 0.000 1.163 197 A CA 0.230 52.217 52.037 -0.083 0.000 0.652 197 A CB -0.199 18.751 19.000 -0.084 0.000 0.808 197 A HN 0.246 nan 8.150 nan 0.000 0.449 198 C N 1.496 120.686 119.300 -0.184 0.000 2.601 198 C HA 0.538 4.984 4.460 -0.023 0.000 0.409 198 C C 0.218 175.215 174.990 0.012 0.000 1.293 198 C CA -0.085 58.821 59.018 -0.188 0.000 2.101 198 C CB -0.149 27.286 27.740 -0.509 0.000 2.639 198 C HN 0.776 nan 8.230 nan 0.000 0.592 199 D N -0.046 120.441 120.400 0.145 0.000 2.838 199 D HA 0.144 4.770 4.640 -0.023 0.000 0.334 199 D C 0.517 176.973 176.300 0.260 0.000 1.315 199 D CA -0.634 53.521 54.000 0.258 0.000 0.917 199 D CB 0.062 40.957 40.800 0.159 0.000 1.435 199 D HN 0.586 nan 8.370 nan 0.000 0.517 200 E N -0.502 119.836 120.200 0.229 0.000 2.265 200 E HA -0.193 4.143 4.350 -0.023 0.000 0.196 200 E C 0.404 177.249 176.600 0.409 0.000 0.996 200 E CA 0.912 57.467 56.400 0.258 0.000 0.832 200 E CB -0.410 29.397 29.700 0.177 0.000 0.756 200 E HN 0.282 nan 8.360 nan 0.000 0.491 201 N N 0.710 119.591 118.700 0.302 0.000 2.336 201 N HA 0.012 4.738 4.740 -0.023 0.000 0.189 201 N C -0.408 174.980 175.510 -0.204 0.000 1.113 201 N CA 0.392 53.600 53.050 0.263 0.000 0.858 201 N CB 0.619 39.193 38.487 0.144 0.000 0.970 201 N HN 0.069 nan 8.380 nan 0.000 0.471 202 T N 2.063 116.578 114.554 -0.066 0.000 2.752 202 T HA 0.137 4.473 4.350 -0.023 0.000 0.295 202 T C 1.930 176.454 174.700 -0.294 0.000 0.923 202 T CA -0.305 61.687 62.100 -0.180 0.000 1.112 202 T CB 0.568 69.416 68.868 -0.034 0.000 0.884 202 T HN 0.230 nan 8.240 nan 0.000 0.525 203 I N 0.946 121.222 120.570 -0.491 0.000 2.676 203 I HA 0.377 4.533 4.170 -0.023 0.000 0.259 203 I C 0.931 177.051 176.117 0.004 0.000 1.194 203 I CA 0.213 61.326 61.300 -0.311 0.000 1.473 203 I CB -0.056 37.801 38.000 -0.239 0.000 1.096 203 I HN 0.657 nan 8.210 nan 0.000 0.443 204 G N 0.079 108.856 108.800 -0.038 0.000 2.316 204 G HA2 0.420 4.366 3.960 -0.023 0.000 0.296 204 G HA3 0.420 4.366 3.960 -0.023 0.000 0.296 204 G C -1.772 173.086 174.900 -0.070 0.000 1.399 204 G CA -0.462 44.636 45.100 -0.004 0.000 0.833 204 G HN -0.073 nan 8.290 nan 0.000 0.565 205 V N -0.056 119.815 119.914 -0.072 0.000 2.459 205 V HA 0.627 4.733 4.120 -0.023 0.000 0.295 205 V C -0.177 175.824 176.094 -0.154 0.000 1.029 205 V CA -0.664 61.565 62.300 -0.119 0.000 0.874 205 V CB 1.727 33.492 31.823 -0.096 0.000 0.985 205 V HN 0.713 nan 8.190 nan 0.000 0.438 206 V N 7.320 127.083 119.914 -0.251 0.000 2.266 206 V HA 0.341 4.447 4.120 -0.023 0.000 0.271 206 V C -2.465 173.480 176.094 -0.248 0.000 1.032 206 V CA -1.676 60.423 62.300 -0.334 0.000 0.806 206 V CB 1.359 32.707 31.823 -0.791 0.000 1.052 206 V HN 0.737 nan 8.190 nan 0.000 0.449 207 P HA 0.298 nan 4.420 nan 0.000 0.279 207 P C -0.176 177.095 177.300 -0.048 0.000 1.239 207 P CA -0.073 62.984 63.100 -0.071 0.000 0.789 207 P CB 0.668 32.343 31.700 -0.041 0.000 0.933 208 T N 3.440 117.996 114.554 0.003 0.000 2.832 208 T HA 0.236 4.572 4.350 -0.023 0.000 0.313 208 T C -0.226 174.525 174.700 0.085 0.000 1.035 208 T CA -0.020 62.110 62.100 0.050 0.000 0.950 208 T CB -0.614 68.295 68.868 0.069 0.000 0.984 208 T HN 0.165 nan 8.240 nan 0.000 0.486 209 F N 3.729 123.597 119.950 -0.136 0.000 2.659 209 F HA 0.487 5.000 4.527 -0.024 0.000 0.360 209 F C 1.059 176.848 175.800 -0.019 0.000 1.218 209 F CA -0.769 57.087 58.000 -0.241 0.000 1.317 209 F CB -0.598 38.076 39.000 -0.543 0.000 1.697 209 F HN 0.767 nan 8.300 nan 0.000 0.637 210 G N 2.560 111.350 108.800 -0.016 0.000 2.237 210 G HA2 0.028 3.974 3.960 -0.023 0.000 0.234 210 G HA3 0.028 3.974 3.960 -0.023 0.000 0.234 210 G C -1.232 173.682 174.900 0.023 0.000 1.842 210 G CA -0.838 44.235 45.100 -0.045 0.000 1.208 210 G HN 0.275 nan 8.290 nan 0.000 0.644 211 V N 2.324 122.249 119.914 0.017 0.000 2.529 211 V HA 0.252 4.358 4.120 -0.023 0.000 0.292 211 V C 2.226 178.348 176.094 0.047 0.000 1.028 211 V CA 0.983 63.320 62.300 0.062 0.000 1.074 211 V CB 0.777 32.681 31.823 0.135 0.000 0.958 211 V HN 1.034 nan 8.190 nan 0.000 0.481 212 T N 2.283 116.751 114.554 -0.143 0.000 2.684 212 T HA -0.257 4.079 4.350 -0.023 0.000 0.267 212 T C 1.463 176.081 174.700 -0.137 0.000 1.036 212 T CA 1.855 63.781 62.100 -0.291 0.000 1.148 212 T CB -0.555 67.827 68.868 -0.810 0.000 0.863 212 T HN 0.585 nan 8.240 nan 0.000 0.436 213 Y N 2.717 123.093 120.300 0.126 0.000 2.274 213 Y HA 0.017 4.553 4.550 -0.023 0.000 0.290 213 Y C 3.072 179.162 175.900 0.317 0.000 1.145 213 Y CA 1.249 59.484 58.100 0.226 0.000 1.203 213 Y CB -0.865 37.708 38.460 0.189 0.000 0.984 213 Y HN 0.579 nan 8.280 nan 0.000 0.533 214 T N -6.122 108.626 114.554 0.323 0.000 2.955 214 T HA 0.456 4.792 4.350 -0.023 0.000 0.251 214 T C 1.784 176.564 174.700 0.132 0.000 1.002 214 T CA 0.433 62.664 62.100 0.218 0.000 0.970 214 T CB 0.297 69.279 68.868 0.190 0.000 1.091 214 T HN 0.399 nan 8.240 nan 0.000 0.495 215 G N 1.878 110.746 108.800 0.113 0.000 2.176 215 G HA2 -0.229 3.717 3.960 -0.023 0.000 0.253 215 G HA3 -0.229 3.717 3.960 -0.023 0.000 0.253 215 G C -0.080 174.728 174.900 -0.154 0.000 0.979 215 G CA -0.030 45.073 45.100 0.004 0.000 0.641 215 G HN 0.630 nan 8.290 nan 0.000 0.530 216 N N -0.164 118.472 118.700 -0.106 0.000 2.508 216 N HA 0.541 5.267 4.740 -0.023 0.000 0.285 216 N C -0.366 174.981 175.510 -0.272 0.000 1.144 216 N CA -0.295 52.624 53.050 -0.218 0.000 0.978 216 N CB 0.520 38.967 38.487 -0.067 0.000 1.180 216 N HN 0.084 nan 8.380 nan 0.000 0.484 217 Y N 0.537 120.575 120.300 -0.437 0.000 2.309 217 Y HA 0.149 4.685 4.550 -0.024 0.000 0.327 217 Y C 0.940 176.467 175.900 -0.621 0.000 1.172 217 Y CA -0.158 57.522 58.100 -0.699 0.000 1.280 217 Y CB 0.552 38.286 38.460 -1.210 0.000 1.234 217 Y HN 0.267 nan 8.280 nan 0.000 0.512 218 E N 2.982 123.066 120.200 -0.193 0.000 2.109 218 E HA 0.235 4.571 4.350 -0.023 0.000 0.278 218 E C -1.375 175.156 176.600 -0.114 0.000 0.954 218 E CA -0.551 55.781 56.400 -0.114 0.000 0.779 218 E CB 0.666 30.383 29.700 0.028 0.000 1.093 218 E HN 0.358 nan 8.360 nan 0.000 0.401 219 F N 4.322 124.308 119.950 0.059 0.000 2.444 219 F HA 0.170 4.683 4.527 -0.023 0.000 0.360 219 F C -1.402 174.410 175.800 0.020 0.000 1.106 219 F CA -2.021 56.019 58.000 0.067 0.000 1.170 219 F CB 0.698 39.714 39.000 0.026 0.000 1.113 219 F HN 0.423 nan 8.300 nan 0.000 0.521 220 P HA -0.222 nan 4.420 nan 0.000 0.218 220 P C 1.647 178.997 177.300 0.083 0.000 1.149 220 P CA 0.971 64.102 63.100 0.051 0.000 0.817 220 P CB 0.197 31.865 31.700 -0.053 0.000 0.785 221 Q N 0.350 120.195 119.800 0.074 0.000 2.062 221 Q HA -0.172 4.154 4.340 -0.023 0.000 0.209 221 Q C -0.698 175.346 176.000 0.072 0.000 0.996 221 Q CA 2.962 58.785 55.803 0.033 0.000 0.859 221 Q CB -1.980 26.754 28.738 -0.006 0.000 0.920 221 Q HN 0.196 nan 8.270 nan 0.000 0.415 222 P HA -0.107 nan 4.420 nan 0.000 0.217 222 P C 0.893 178.242 177.300 0.082 0.000 1.150 222 P CA 1.165 64.305 63.100 0.068 0.000 0.832 222 P CB -0.064 31.674 31.700 0.063 0.000 0.787 223 L N -1.738 119.539 121.223 0.091 0.000 2.093 223 L HA -0.184 4.141 4.340 -0.023 0.000 0.208 223 L C 2.705 179.613 176.870 0.063 0.000 1.085 223 L CA 1.285 56.162 54.840 0.063 0.000 0.755 223 L CB -1.127 40.962 42.059 0.049 0.000 0.904 223 L HN 0.161 nan 8.230 nan 0.000 0.435 224 H N 0.720 119.790 119.070 0.000 0.000 2.357 224 H HA -0.164 4.378 4.556 -0.024 0.000 0.301 224 H C 1.616 176.952 175.328 0.013 0.000 1.082 224 H CA 1.756 57.803 56.048 -0.002 0.000 1.342 224 H CB 0.177 29.926 29.762 -0.022 0.000 1.389 224 H HN 0.327 nan 8.280 nan 0.000 0.511 225 D N 0.492 121.009 120.400 0.195 0.000 2.144 225 D HA -0.102 4.524 4.640 -0.023 0.000 0.199 225 D C 2.223 178.572 176.300 0.081 0.000 0.984 225 D CA 1.179 55.260 54.000 0.135 0.000 0.834 225 D CB -0.409 40.443 40.800 0.086 0.000 0.955 225 D HN 0.451 nan 8.370 nan 0.000 0.465 226 A N 0.797 123.653 122.820 0.060 0.000 1.902 226 A HA -0.106 4.200 4.320 -0.023 0.000 0.217 226 A C 2.398 180.015 177.584 0.054 0.000 1.181 226 A CA 0.822 52.886 52.037 0.046 0.000 0.623 226 A CB -0.735 18.275 19.000 0.016 0.000 0.818 226 A HN 0.196 nan 8.150 nan 0.000 0.443 227 L N -0.615 120.611 121.223 0.006 0.000 2.141 227 L HA -0.168 4.158 4.340 -0.023 0.000 0.209 227 L C 1.995 178.905 176.870 0.066 0.000 1.094 227 L CA 1.206 56.062 54.840 0.026 0.000 0.763 227 L CB -0.619 41.385 42.059 -0.092 0.000 0.908 227 L HN 0.300 nan 8.230 nan 0.000 0.437 228 D N 0.185 120.592 120.400 0.012 0.000 2.097 228 D HA -0.203 4.423 4.640 -0.023 0.000 0.195 228 D C 2.126 178.469 176.300 0.071 0.000 0.989 228 D CA 1.164 55.186 54.000 0.037 0.000 0.827 228 D CB -0.009 40.829 40.800 0.065 0.000 0.966 228 D HN 0.180 nan 8.370 nan 0.000 0.456 229 K N -0.438 120.016 120.400 0.091 0.000 2.148 229 K HA -0.131 4.175 4.320 -0.023 0.000 0.204 229 K C 2.093 178.774 176.600 0.136 0.000 1.050 229 K CA 0.451 56.795 56.287 0.095 0.000 0.942 229 K CB -0.195 32.361 32.500 0.093 0.000 0.724 229 K HN 0.008 nan 8.250 nan 0.000 0.446 230 F N 2.310 122.259 119.950 -0.000 0.000 2.102 230 F HA -0.200 4.313 4.527 -0.023 0.000 0.298 230 F C 2.482 178.285 175.800 0.005 0.000 1.105 230 F CA 1.752 59.753 58.000 0.003 0.000 1.239 230 F CB -0.384 38.615 39.000 -0.001 0.000 0.991 230 F HN 0.139 nan 8.300 nan 0.000 0.474 231 Q N -0.246 119.573 119.800 0.031 0.000 2.167 231 Q HA -0.143 4.183 4.340 -0.023 0.000 0.202 231 Q C 2.252 178.203 176.000 -0.080 0.000 0.970 231 Q CA 1.289 57.052 55.803 -0.067 0.000 0.855 231 Q CB -0.270 28.472 28.738 0.007 0.000 0.911 231 Q HN 0.475 nan 8.270 nan 0.000 0.438 232 A N 0.988 123.789 122.820 -0.032 0.000 1.898 232 A HA -0.191 4.115 4.320 -0.023 0.000 0.216 232 A C 1.559 179.111 177.584 -0.053 0.000 1.181 232 A CA 1.764 53.785 52.037 -0.027 0.000 0.620 232 A CB -0.356 18.647 19.000 0.004 0.000 0.819 232 A HN 0.431 nan 8.150 nan 0.000 0.442 233 D N -1.112 119.245 120.400 -0.073 0.000 2.213 233 D HA -0.053 4.573 4.640 -0.023 0.000 0.205 233 D C 1.953 178.159 176.300 -0.157 0.000 0.961 233 D CA 1.921 55.870 54.000 -0.086 0.000 0.853 233 D CB -0.209 40.565 40.800 -0.042 0.000 0.967 233 D HN 0.637 nan 8.370 nan 0.000 0.496 234 T N -4.267 110.113 114.554 -0.291 0.000 2.959 234 T HA 0.379 4.715 4.350 -0.023 0.000 0.254 234 T C 1.688 176.246 174.700 -0.236 0.000 1.003 234 T CA 0.789 62.693 62.100 -0.326 0.000 0.950 234 T CB 1.053 69.540 68.868 -0.635 0.000 1.090 234 T HN 0.158 nan 8.240 nan 0.000 0.503 235 G N 1.818 110.496 108.800 -0.203 0.000 2.176 235 G HA2 -0.194 3.752 3.960 -0.023 0.000 0.253 235 G HA3 -0.194 3.752 3.960 -0.023 0.000 0.253 235 G C 0.037 174.874 174.900 -0.105 0.000 0.979 235 G CA 0.072 45.101 45.100 -0.118 0.000 0.641 235 G HN 0.673 nan 8.290 nan 0.000 0.530 236 I N 1.809 122.269 120.570 -0.182 0.000 2.379 236 I HA 0.269 4.425 4.170 -0.023 0.000 0.290 236 I C -0.216 175.919 176.117 0.031 0.000 1.063 236 I CA -0.398 60.861 61.300 -0.067 0.000 1.351 236 I CB 1.009 38.965 38.000 -0.075 0.000 1.410 236 I HN 0.018 nan 8.210 nan 0.000 0.505 237 D N 8.568 129.013 120.400 0.075 0.000 2.396 237 D HA 0.421 5.047 4.640 -0.023 0.000 0.225 237 D C -0.534 175.847 176.300 0.136 0.000 1.121 237 D CA -0.205 53.849 54.000 0.091 0.000 0.853 237 D CB 0.668 41.505 40.800 0.063 0.000 1.043 237 D HN 0.297 nan 8.370 nan 0.000 0.500 238 I N 3.288 123.942 120.570 0.140 0.000 2.404 238 I HA 0.236 4.392 4.170 -0.023 0.000 0.293 238 I C 0.347 176.506 176.117 0.070 0.000 0.992 238 I CA -0.927 60.450 61.300 0.129 0.000 1.149 238 I CB 1.597 39.675 38.000 0.130 0.000 1.315 238 I HN 0.195 nan 8.210 nan 0.000 0.446 239 D N 6.376 126.832 120.400 0.093 0.000 2.387 239 D HA 0.554 5.180 4.640 -0.023 0.000 0.251 239 D C -0.305 176.024 176.300 0.049 0.000 1.141 239 D CA -0.178 53.872 54.000 0.082 0.000 0.987 239 D CB 1.435 42.319 40.800 0.140 0.000 1.116 239 D HN 0.300 nan 8.370 nan 0.000 0.491 240 M N -0.061 119.566 119.600 0.046 0.000 2.530 240 M HA 0.282 4.748 4.480 -0.023 0.000 0.307 240 M C -0.957 175.362 176.300 0.031 0.000 1.161 240 M CA -0.723 54.582 55.300 0.008 0.000 0.903 240 M CB 2.644 35.228 32.600 -0.026 0.000 1.711 240 M HN 0.347 nan 8.290 nan 0.000 0.451 241 H N 2.119 121.136 119.070 -0.087 0.000 2.658 241 H HA 0.518 5.060 4.556 -0.024 0.000 0.337 241 H C -1.647 173.599 175.328 -0.137 0.000 1.009 241 H CA -0.644 55.349 56.048 -0.091 0.000 1.231 241 H CB 1.061 30.793 29.762 -0.050 0.000 1.508 241 H HN 0.501 nan 8.280 nan 0.000 0.517 242 I N 4.227 124.401 120.570 -0.659 0.000 2.325 242 I HA 0.091 4.247 4.170 -0.023 0.000 0.291 242 I C 0.238 176.151 176.117 -0.340 0.000 1.019 242 I CA -0.402 60.652 61.300 -0.409 0.000 1.302 242 I CB 0.919 38.694 38.000 -0.375 0.000 1.401 242 I HN 0.740 nan 8.210 nan 0.000 0.485 243 D N 6.684 127.076 120.400 -0.014 0.000 2.468 243 D HA 0.330 4.956 4.640 -0.023 0.000 0.218 243 D C 0.274 176.620 176.300 0.078 0.000 1.155 243 D CA -0.238 53.875 54.000 0.189 0.000 0.924 243 D CB 0.872 41.912 40.800 0.400 0.000 1.029 243 D HN 0.602 nan 8.370 nan 0.000 0.515 244 A N 3.368 126.178 122.820 -0.017 0.000 3.003 244 A HA 0.521 4.827 4.320 -0.023 0.000 0.301 244 A C 1.732 179.358 177.584 0.069 0.000 1.280 244 A CA 0.238 52.247 52.037 -0.045 0.000 0.973 244 A CB -0.096 18.723 19.000 -0.301 0.000 1.110 244 A HN 0.552 nan 8.150 nan 0.000 0.590 245 A N 0.681 123.593 122.820 0.154 0.000 1.915 245 A HA -0.237 4.069 4.320 -0.023 0.000 0.220 245 A C 2.466 180.263 177.584 0.355 0.000 1.198 245 A CA 2.837 55.016 52.037 0.238 0.000 0.647 245 A CB -0.595 18.516 19.000 0.185 0.000 0.825 245 A HN 1.175 nan 8.150 nan 0.000 0.456 246 S N -2.064 113.832 115.700 0.327 0.000 2.517 246 S HA 0.256 4.712 4.470 -0.023 0.000 0.228 246 S C 2.136 176.882 174.600 0.245 0.000 1.060 246 S CA 0.959 59.439 58.200 0.466 0.000 0.937 246 S CB -1.134 62.355 63.200 0.481 0.000 0.840 246 S HN 0.753 nan 8.310 nan 0.000 0.546 247 G N 1.646 110.464 108.800 0.030 0.000 2.475 247 G HA2 0.005 3.951 3.960 -0.023 0.000 0.220 247 G HA3 0.005 3.951 3.960 -0.023 0.000 0.220 247 G C 1.418 176.196 174.900 -0.203 0.000 1.125 247 G CA 0.778 45.758 45.100 -0.199 0.000 0.755 247 G HN 0.692 nan 8.290 nan 0.000 0.565 248 G N -0.134 108.566 108.800 -0.167 0.000 2.479 248 G HA2 -0.072 3.874 3.960 -0.023 0.000 0.220 248 G HA3 -0.072 3.874 3.960 -0.023 0.000 0.220 248 G C 0.907 175.831 174.900 0.040 0.000 1.115 248 G CA 0.359 45.357 45.100 -0.171 0.000 0.757 248 G HN 0.375 nan 8.290 nan 0.000 0.560 249 F N -0.471 119.760 119.950 0.468 0.000 2.735 249 F HA 0.516 5.030 4.527 -0.021 0.000 0.304 249 F C 1.319 177.501 175.800 0.636 0.000 1.119 249 F CA -0.423 57.935 58.000 0.597 0.000 1.280 249 F CB 0.448 39.862 39.000 0.691 0.000 0.994 249 F HN -0.016 nan 8.300 nan 0.000 0.520 250 L N -1.382 120.129 121.223 0.480 0.000 2.862 250 L HA 0.311 4.637 4.340 -0.023 0.000 0.169 250 L C 2.429 179.500 176.870 0.335 0.000 1.164 250 L CA 0.766 55.864 54.840 0.430 0.000 0.858 250 L CB -0.884 41.275 42.059 0.167 0.000 1.329 250 L HN -0.020 nan 8.230 nan 0.000 0.514 251 A N 0.989 123.903 122.820 0.156 0.000 1.917 251 A HA -0.142 4.163 4.320 -0.023 0.000 0.219 251 A C -0.454 177.228 177.584 0.162 0.000 1.182 251 A CA 2.088 54.202 52.037 0.128 0.000 0.633 251 A CB -1.910 17.068 19.000 -0.035 0.000 0.819 251 A HN 0.270 nan 8.150 nan 0.000 0.448 252 P HA -0.121 nan 4.420 nan 0.000 0.219 252 P C 0.683 177.845 177.300 -0.231 0.000 1.146 252 P CA 1.102 64.137 63.100 -0.108 0.000 0.808 252 P CB -0.092 31.382 31.700 -0.376 0.000 0.779 253 F N -1.761 118.326 119.950 0.230 0.000 2.383 253 F HA 0.035 4.548 4.527 -0.022 0.000 0.287 253 F C 2.041 177.936 175.800 0.158 0.000 1.069 253 F CA 0.567 58.684 58.000 0.195 0.000 1.402 253 F CB -1.190 37.961 39.000 0.251 0.000 1.116 253 F HN -0.252 nan 8.300 nan 0.000 0.549 254 V N -2.969 117.139 119.914 0.323 0.000 3.643 254 V HA 0.647 4.753 4.120 -0.023 0.000 0.280 254 V C 0.649 176.792 176.094 0.082 0.000 1.351 254 V CA 0.532 62.930 62.300 0.164 0.000 1.073 254 V CB -0.180 31.687 31.823 0.074 0.000 0.863 254 V HN 0.136 nan 8.190 nan 0.000 0.436 255 A N 1.184 124.077 122.820 0.121 0.000 3.474 255 A HA 0.599 4.905 4.320 -0.023 0.000 0.251 255 A C -1.333 176.338 177.584 0.146 0.000 1.062 255 A CA -0.276 51.828 52.037 0.111 0.000 0.945 255 A CB 0.193 19.268 19.000 0.126 0.000 1.296 255 A HN 0.291 nan 8.150 nan 0.000 0.592 256 P HA -0.149 nan 4.420 nan 0.000 0.221 256 P C 0.220 177.583 177.300 0.105 0.000 1.145 256 P CA 1.182 64.364 63.100 0.137 0.000 0.795 256 P CB 0.304 32.072 31.700 0.114 0.000 0.775 257 D N -0.232 120.215 120.400 0.079 0.000 2.363 257 D HA 0.071 4.697 4.640 -0.023 0.000 0.220 257 D C 0.986 177.314 176.300 0.047 0.000 0.994 257 D CA 0.230 54.252 54.000 0.037 0.000 0.890 257 D CB -0.290 40.522 40.800 0.021 0.000 0.906 257 D HN 0.293 nan 8.370 nan 0.000 0.530 258 I N 1.512 122.160 120.570 0.129 0.000 2.517 258 I HA -0.032 4.124 4.170 -0.023 0.000 0.285 258 I C 0.092 176.308 176.117 0.164 0.000 1.106 258 I CA -0.231 61.183 61.300 0.190 0.000 1.402 258 I CB 1.119 39.319 38.000 0.335 0.000 1.399 258 I HN -0.345 nan 8.210 nan 0.000 0.535 259 V N 8.216 128.149 119.914 0.031 0.000 2.356 259 V HA 0.075 4.180 4.120 -0.023 0.000 0.258 259 V C 0.520 176.536 176.094 -0.130 0.000 1.065 259 V CA -0.038 62.182 62.300 -0.133 0.000 0.935 259 V CB -0.039 31.683 31.823 -0.169 0.000 1.061 259 V HN 0.933 nan 8.190 nan 0.000 0.484 260 W N 3.602 124.647 121.300 -0.426 0.000 2.413 260 W HA 0.257 4.903 4.660 -0.024 0.000 0.288 260 W C -0.023 176.090 176.519 -0.676 0.000 0.958 260 W CA 0.172 57.131 57.345 -0.643 0.000 1.333 260 W CB -0.110 28.589 29.460 -1.268 0.000 1.002 260 W HN 0.628 nan 8.180 nan 0.000 0.562 261 D N 0.803 120.314 120.400 -1.482 0.000 2.415 261 D HA 0.180 4.806 4.640 -0.023 0.000 0.265 261 D C 0.904 176.704 176.300 -0.832 0.000 1.206 261 D CA -0.419 52.668 54.000 -1.522 0.000 1.113 261 D CB -0.572 39.120 40.800 -1.846 0.000 1.192 261 D HN -0.243 nan 8.370 nan 0.000 0.586 262 F N -0.326 119.349 119.950 -0.458 0.000 2.583 262 F HA 0.127 4.639 4.527 -0.024 0.000 0.297 262 F C 2.291 177.960 175.800 -0.219 0.000 1.131 262 F CA 0.407 58.264 58.000 -0.238 0.000 1.467 262 F CB -0.501 38.431 39.000 -0.114 0.000 1.097 262 F HN 0.041 nan 8.300 nan 0.000 0.586 263 R N -0.105 120.281 120.500 -0.191 0.000 2.241 263 R HA -0.020 4.306 4.340 -0.023 0.000 0.224 263 R C 0.276 176.446 176.300 -0.217 0.000 1.101 263 R CA 0.499 56.465 56.100 -0.223 0.000 0.995 263 R CB -0.223 29.852 30.300 -0.375 0.000 0.870 263 R HN 0.221 nan 8.270 nan 0.000 0.463 264 L N 1.318 122.391 121.223 -0.250 0.000 2.260 264 L HA 0.209 4.535 4.340 -0.023 0.000 0.289 264 L C -1.704 175.136 176.870 -0.051 0.000 1.057 264 L CA -2.071 52.585 54.840 -0.308 0.000 0.811 264 L CB 1.384 43.229 42.059 -0.357 0.000 1.184 264 L HN -0.207 nan 8.230 nan 0.000 0.429 265 P HA -0.185 nan 4.420 nan 0.000 0.216 265 P C 1.198 178.644 177.300 0.245 0.000 1.157 265 P CA 1.520 64.725 63.100 0.175 0.000 0.880 265 P CB 0.139 31.946 31.700 0.179 0.000 0.791 266 R N -1.018 119.730 120.500 0.413 0.000 2.285 266 R HA 0.025 4.351 4.340 -0.023 0.000 0.213 266 R C 0.126 176.505 176.300 0.132 0.000 1.068 266 R CA 0.219 56.409 56.100 0.151 0.000 1.004 266 R CB -0.496 29.719 30.300 -0.142 0.000 0.873 266 R HN 0.102 nan 8.270 nan 0.000 0.467 267 V N 2.166 122.162 119.914 0.137 0.000 2.397 267 V HA 0.009 4.115 4.120 -0.023 0.000 0.262 267 V C 0.650 176.869 176.094 0.208 0.000 1.047 267 V CA 0.483 62.811 62.300 0.046 0.000 1.003 267 V CB 1.177 32.899 31.823 -0.167 0.000 1.037 267 V HN 0.038 nan 8.190 nan 0.000 0.480 268 K N 2.522 123.053 120.400 0.219 0.000 2.352 268 K HA 0.191 4.496 4.320 -0.023 0.000 0.194 268 K C 0.571 177.431 176.600 0.434 0.000 1.038 268 K CA 0.348 56.838 56.287 0.339 0.000 1.023 268 K CB 0.486 33.168 32.500 0.303 0.000 0.840 268 K HN 0.830 nan 8.250 nan 0.000 0.519 269 S N -1.005 114.840 115.700 0.241 0.000 2.567 269 S HA 0.657 5.113 4.470 -0.023 0.000 0.270 269 S C -0.910 173.455 174.600 -0.391 0.000 1.152 269 S CA -1.069 57.154 58.200 0.037 0.000 0.835 269 S CB 1.389 64.498 63.200 -0.152 0.000 1.115 269 S HN -0.043 nan 8.310 nan 0.000 0.459 270 I N 1.711 122.035 120.570 -0.410 0.000 2.722 270 I HA 0.595 4.751 4.170 -0.023 0.000 0.295 270 I C -0.550 175.406 176.117 -0.268 0.000 1.161 270 I CA -0.602 60.300 61.300 -0.664 0.000 1.032 270 I CB 2.677 40.104 38.000 -0.955 0.000 1.244 270 I HN 0.950 nan 8.210 nan 0.000 0.421 271 S N 3.714 119.287 115.700 -0.212 0.000 2.599 271 S HA 1.004 5.460 4.470 -0.023 0.000 0.294 271 S C -0.736 173.957 174.600 0.155 0.000 1.094 271 S CA -0.703 57.584 58.200 0.146 0.000 0.931 271 S CB 2.734 66.089 63.200 0.258 0.000 1.093 271 S HN 0.995 nan 8.310 nan 0.000 0.488 272 A N 0.751 123.793 122.820 0.371 0.000 2.597 272 A HA 0.745 5.051 4.320 -0.023 0.000 0.292 272 A C -0.894 176.978 177.584 0.481 0.000 1.057 272 A CA -0.845 51.438 52.037 0.412 0.000 0.674 272 A CB 0.988 20.265 19.000 0.463 0.000 1.278 272 A HN 0.855 nan 8.150 nan 0.000 0.416 273 S N 0.585 116.553 115.700 0.446 0.000 2.410 273 S HA 0.450 4.906 4.470 -0.023 0.000 0.304 273 S C 1.392 176.208 174.600 0.360 0.000 1.095 273 S CA 0.092 58.422 58.200 0.216 0.000 1.089 273 S CB 1.288 64.572 63.200 0.141 0.000 0.968 273 S HN 1.345 nan 8.310 nan 0.000 0.480 274 G N 2.100 111.021 108.800 0.200 0.000 2.422 274 G HA2 -0.202 3.744 3.960 -0.023 0.000 0.218 274 G HA3 -0.202 3.744 3.960 -0.023 0.000 0.218 274 G C 1.024 175.965 174.900 0.067 0.000 1.146 274 G CA 0.455 45.659 45.100 0.173 0.000 0.769 274 G HN 0.938 nan 8.290 nan 0.000 0.547 275 H N -0.546 118.583 119.070 0.100 0.000 2.553 275 H HA 0.342 4.884 4.556 -0.024 0.000 0.269 275 H C 1.372 176.731 175.328 0.050 0.000 1.011 275 H CA 0.195 56.269 56.048 0.042 0.000 1.150 275 H CB 0.240 29.998 29.762 -0.005 0.000 1.339 275 H HN 0.261 nan 8.280 nan 0.000 0.604 276 K N 0.538 121.125 120.400 0.311 0.000 4.310 276 K HA 0.159 4.465 4.320 -0.023 0.000 0.185 276 K C 0.699 177.324 176.600 0.042 0.000 1.134 276 K CA -0.446 55.957 56.287 0.194 0.000 1.860 276 K CB 0.031 32.757 32.500 0.376 0.000 2.614 276 K HN 0.026 nan 8.250 nan 0.000 0.570 277 F N 1.369 121.534 119.950 0.359 0.000 2.802 277 F HA 0.058 4.572 4.527 -0.022 0.000 0.300 277 F C 1.815 177.848 175.800 0.388 0.000 1.168 277 F CA 0.372 58.585 58.000 0.356 0.000 1.433 277 F CB -0.238 38.994 39.000 0.387 0.000 1.115 277 F HN 0.462 nan 8.300 nan 0.000 0.582 278 G N -0.481 108.503 108.800 0.307 0.000 2.744 278 G HA2 0.006 3.952 3.960 -0.023 0.000 0.211 278 G HA3 0.006 3.952 3.960 -0.023 0.000 0.211 278 G C 1.164 176.134 174.900 0.117 0.000 1.143 278 G CA 0.211 45.165 45.100 -0.244 0.000 0.788 278 G HN 0.464 nan 8.290 nan 0.000 0.534 279 L N -2.190 119.114 121.223 0.134 0.000 4.696 279 L HA -0.204 4.122 4.340 -0.023 0.000 0.425 279 L C 1.227 178.136 176.870 0.065 0.000 1.115 279 L CA -0.006 54.882 54.840 0.079 0.000 0.996 279 L CB -2.238 39.812 42.059 -0.015 0.000 2.077 279 L HN 0.397 nan 8.230 nan 0.000 0.792 280 A N 0.362 123.220 122.820 0.062 0.000 2.286 280 A HA 0.768 5.074 4.320 -0.023 0.000 0.286 280 A C -1.916 175.698 177.584 0.050 0.000 1.097 280 A CA -1.030 51.033 52.037 0.043 0.000 0.821 280 A CB 0.353 19.372 19.000 0.032 0.000 1.076 280 A HN 0.067 nan 8.150 nan 0.000 0.490 281 P HA 0.196 nan 4.420 nan 0.000 0.274 281 P C -0.376 176.935 177.300 0.018 0.000 1.237 281 P CA -0.258 62.822 63.100 -0.033 0.000 0.793 281 P CB 0.442 32.074 31.700 -0.113 0.000 0.977 282 L N 1.223 122.427 121.223 -0.031 0.000 2.678 282 L HA 0.037 4.363 4.340 -0.023 0.000 0.285 282 L C 1.559 178.433 176.870 0.007 0.000 1.233 282 L CA 1.576 56.364 54.840 -0.087 0.000 0.920 282 L CB -1.132 40.823 42.059 -0.173 0.000 1.176 282 L HN 0.916 nan 8.230 nan 0.000 0.495 283 G N 2.203 111.128 108.800 0.208 0.000 2.186 283 G HA2 -0.167 3.779 3.960 -0.023 0.000 0.130 283 G HA3 -0.167 3.779 3.960 -0.023 0.000 0.130 283 G C -0.499 174.380 174.900 -0.036 0.000 1.031 283 G CA -0.322 44.820 45.100 0.070 0.000 0.697 283 G HN 0.756 nan 8.290 nan 0.000 0.494 284 C N 0.578 119.864 119.300 -0.024 0.000 2.516 284 C HA 0.908 5.354 4.460 -0.023 0.000 0.338 284 C C 0.585 175.216 174.990 -0.598 0.000 1.132 284 C CA 0.664 59.461 59.018 -0.368 0.000 1.310 284 C CB 0.649 28.241 27.740 -0.247 0.000 1.898 284 C HN 1.454 nan 8.230 nan 0.000 0.452 285 G N 3.364 111.761 108.800 -0.672 0.000 2.680 285 G HA2 0.817 4.763 3.960 -0.023 0.000 0.290 285 G HA3 0.817 4.763 3.960 -0.023 0.000 0.290 285 G C -2.117 172.395 174.900 -0.646 0.000 1.355 285 G CA -0.562 44.246 45.100 -0.487 0.000 0.903 285 G HN 0.744 nan 8.290 nan 0.000 0.474 286 W N -0.617 120.776 121.300 0.155 0.000 3.138 286 W HA 0.589 5.234 4.660 -0.025 0.000 0.331 286 W C -0.920 175.730 176.519 0.220 0.000 1.166 286 W CA -0.908 56.561 57.345 0.207 0.000 1.212 286 W CB 2.618 32.257 29.460 0.298 0.000 1.399 286 W HN 0.421 nan 8.180 nan 0.000 0.514 287 V N 5.701 125.866 119.914 0.417 0.000 2.623 287 V HA 0.630 4.736 4.120 -0.023 0.000 0.304 287 V C -1.360 174.823 176.094 0.149 0.000 1.054 287 V CA -0.774 61.634 62.300 0.180 0.000 0.882 287 V CB 1.186 32.945 31.823 -0.106 0.000 1.002 287 V HN 0.431 nan 8.190 nan 0.000 0.424 288 I N 6.050 126.727 120.570 0.179 0.000 2.569 288 I HA 0.531 4.687 4.170 -0.023 0.000 0.296 288 I C -0.553 175.683 176.117 0.197 0.000 1.028 288 I CA -0.572 60.910 61.300 0.303 0.000 1.082 288 I CB 2.109 40.422 38.000 0.521 0.000 1.264 288 I HN 0.602 nan 8.210 nan 0.000 0.429 289 W N 4.352 125.831 121.300 0.299 0.000 2.570 289 W HA 0.385 5.031 4.660 -0.024 0.000 0.337 289 W C 1.413 177.855 176.519 -0.128 0.000 1.067 289 W CA -0.603 56.870 57.345 0.214 0.000 1.229 289 W CB 1.924 31.485 29.460 0.168 0.000 1.355 289 W HN 0.659 nan 8.180 nan 0.000 0.555 290 R N 0.696 121.199 120.500 0.005 0.000 2.091 290 R HA -0.201 4.125 4.340 -0.023 0.000 0.238 290 R C -0.256 175.922 176.300 -0.204 0.000 1.136 290 R CA 2.439 58.289 56.100 -0.417 0.000 0.959 290 R CB 0.017 30.286 30.300 -0.051 0.000 0.856 290 R HN 0.644 nan 8.270 nan 0.000 0.437 291 D N -3.661 116.739 120.400 -0.000 0.000 2.792 291 D HA 0.025 4.651 4.640 -0.023 0.000 0.335 291 D C -0.155 176.163 176.300 0.031 0.000 1.353 291 D CA -0.705 53.295 54.000 -0.001 0.000 0.839 291 D CB 0.170 40.960 40.800 -0.016 0.000 1.396 291 D HN -0.074 nan 8.370 nan 0.000 0.479 292 E N -0.263 119.934 120.200 -0.005 0.000 2.085 292 E HA -0.187 4.149 4.350 -0.023 0.000 0.194 292 E C 1.268 177.840 176.600 -0.047 0.000 0.994 292 E CA 1.281 57.658 56.400 -0.039 0.000 0.801 292 E CB 0.011 29.685 29.700 -0.042 0.000 0.743 292 E HN 0.476 nan 8.360 nan 0.000 0.453 293 E N 0.021 120.215 120.200 -0.010 0.000 2.209 293 E HA -0.180 4.156 4.350 -0.023 0.000 0.196 293 E C 1.906 178.525 176.600 0.032 0.000 0.993 293 E CA 0.699 57.103 56.400 0.006 0.000 0.819 293 E CB -0.043 29.674 29.700 0.028 0.000 0.745 293 E HN 0.216 nan 8.360 nan 0.000 0.477 294 A N 0.705 123.568 122.820 0.072 0.000 2.066 294 A HA -0.049 4.257 4.320 -0.023 0.000 0.218 294 A C 1.063 178.678 177.584 0.050 0.000 1.157 294 A CA 0.398 52.540 52.037 0.175 0.000 0.670 294 A CB 0.078 19.287 19.000 0.348 0.000 0.804 294 A HN 0.154 nan 8.150 nan 0.000 0.453 295 L N 0.623 121.717 121.223 -0.214 0.000 2.318 295 L HA 0.535 4.860 4.340 -0.023 0.000 0.277 295 L C -2.941 173.667 176.870 -0.436 0.000 1.008 295 L CA -2.543 51.965 54.840 -0.554 0.000 0.846 295 L CB 1.292 42.771 42.059 -0.966 0.000 1.220 295 L HN -0.166 nan 8.230 nan 0.000 0.423 296 P HA 0.060 nan 4.420 nan 0.000 0.262 296 P C 0.118 177.035 177.300 -0.639 0.000 1.199 296 P CA -0.001 62.766 63.100 -0.556 0.000 0.763 296 P CB 0.528 31.651 31.700 -0.960 0.000 0.790 297 Q N 2.427 121.952 119.800 -0.459 0.000 2.226 297 Q HA -0.231 4.095 4.340 -0.023 0.000 0.204 297 Q C 0.698 176.401 176.000 -0.496 0.000 0.975 297 Q CA 1.554 57.112 55.803 -0.409 0.000 0.866 297 Q CB -0.439 28.142 28.738 -0.262 0.000 0.915 297 Q HN 0.387 nan 8.270 nan 0.000 0.440 298 E N 1.177 121.010 120.200 -0.611 0.000 2.333 298 E HA -0.063 4.273 4.350 -0.023 0.000 0.198 298 E C 1.576 177.770 176.600 -0.677 0.000 1.007 298 E CA 0.896 56.922 56.400 -0.623 0.000 0.845 298 E CB -0.027 29.243 29.700 -0.716 0.000 0.766 298 E HN 0.416 nan 8.360 nan 0.000 0.507 299 L N -0.195 120.545 121.223 -0.804 0.000 2.567 299 L HA 0.119 4.445 4.340 -0.023 0.000 0.225 299 L C 0.038 176.551 176.870 -0.596 0.000 1.119 299 L CA -0.185 54.227 54.840 -0.713 0.000 0.871 299 L CB 0.482 41.885 42.059 -1.093 0.000 1.036 299 L HN -0.084 nan 8.230 nan 0.000 0.459 300 V N 0.180 119.778 119.914 -0.526 0.000 2.439 300 V HA 0.232 4.338 4.120 -0.023 0.000 0.282 300 V C -0.517 175.467 176.094 -0.184 0.000 1.039 300 V CA -0.322 61.822 62.300 -0.261 0.000 0.913 300 V CB 1.290 32.945 31.823 -0.280 0.000 0.983 300 V HN -0.067 nan 8.190 nan 0.000 0.460 301 F N 3.203 123.135 119.950 -0.030 0.000 2.361 301 F HA 0.427 4.940 4.527 -0.023 0.000 0.364 301 F C 0.784 176.600 175.800 0.027 0.000 1.117 301 F CA -0.552 57.459 58.000 0.017 0.000 1.071 301 F CB 0.745 39.794 39.000 0.082 0.000 1.188 301 F HN 0.472 nan 8.300 nan 0.000 0.464 302 N N 2.148 120.905 118.700 0.096 0.000 2.525 302 N HA 0.533 5.259 4.740 -0.023 0.000 0.271 302 N C -0.998 174.578 175.510 0.109 0.000 1.194 302 N CA -0.444 52.650 53.050 0.074 0.000 0.964 302 N CB 1.488 39.986 38.487 0.019 0.000 1.126 302 N HN 0.362 nan 8.380 nan 0.000 0.452 303 V N -1.430 118.538 119.914 0.089 0.000 2.962 303 V HA 0.414 4.519 4.120 -0.023 0.000 0.313 303 V C -0.691 175.457 176.094 0.091 0.000 1.099 303 V CA -1.220 61.137 62.300 0.094 0.000 0.971 303 V CB 2.013 33.885 31.823 0.082 0.000 1.028 303 V HN 0.458 nan 8.190 nan 0.000 0.430 304 D N 1.999 122.455 120.400 0.094 0.000 2.414 304 D HA 0.317 4.943 4.640 -0.023 0.000 0.242 304 D C -1.088 175.315 176.300 0.172 0.000 1.129 304 D CA 0.884 54.943 54.000 0.099 0.000 0.885 304 D CB 1.089 41.929 40.800 0.067 0.000 1.198 304 D HN 0.808 nan 8.370 nan 0.000 0.437 305 Y N 2.051 122.344 120.300 -0.012 0.000 2.274 305 Y HA 0.158 4.694 4.550 -0.024 0.000 0.323 305 Y C -0.336 175.552 175.900 -0.020 0.000 1.171 305 Y CA -0.815 57.271 58.100 -0.023 0.000 1.163 305 Y CB 0.284 38.725 38.460 -0.031 0.000 1.183 305 Y HN 0.408 nan 8.280 nan 0.000 0.424 306 L N 6.429 127.405 121.223 -0.413 0.000 3.795 306 L HA -0.311 4.015 4.340 -0.023 0.000 0.489 306 L C 1.191 177.948 176.870 -0.188 0.000 1.259 306 L CA 1.278 55.889 54.840 -0.383 0.000 0.765 306 L CB -1.549 40.129 42.059 -0.635 0.000 1.519 306 L HN 1.210 nan 8.230 nan 0.000 0.842 307 G N -1.735 107.004 108.800 -0.103 0.000 2.212 307 G HA2 -0.204 3.742 3.960 -0.023 0.000 0.266 307 G HA3 -0.204 3.742 3.960 -0.023 0.000 0.266 307 G C 0.567 175.450 174.900 -0.027 0.000 0.978 307 G CA 0.197 45.264 45.100 -0.056 0.000 0.632 307 G HN 1.208 nan 8.290 nan 0.000 0.537 308 G N -1.543 107.248 108.800 -0.014 0.000 3.252 308 G HA2 0.695 4.641 3.960 -0.023 0.000 0.181 308 G HA3 0.695 4.641 3.960 -0.023 0.000 0.181 308 G C -0.746 174.194 174.900 0.066 0.000 1.187 308 G CA -0.062 45.053 45.100 0.025 0.000 0.886 308 G HN 0.524 nan 8.290 nan 0.000 0.615 309 Q N -0.836 119.015 119.800 0.085 0.000 2.379 309 Q HA 0.512 4.838 4.340 -0.023 0.000 0.278 309 Q C -1.580 174.476 176.000 0.094 0.000 1.068 309 Q CA -0.610 55.249 55.803 0.094 0.000 0.816 309 Q CB 3.249 32.018 28.738 0.052 0.000 1.387 309 Q HN 0.548 nan 8.270 nan 0.000 0.413 310 I N 0.042 120.654 120.570 0.070 0.000 2.509 310 I HA 0.632 4.788 4.170 -0.023 0.000 0.293 310 I C -0.274 175.846 176.117 0.006 0.000 1.020 310 I CA -0.550 60.752 61.300 0.004 0.000 1.088 310 I CB 1.468 39.384 38.000 -0.140 0.000 1.267 310 I HN 0.712 nan 8.210 nan 0.000 0.430 311 G N 4.200 113.007 108.800 0.012 0.000 2.403 311 G HA2 0.471 4.417 3.960 -0.023 0.000 0.259 311 G HA3 0.471 4.417 3.960 -0.023 0.000 0.259 311 G C -0.355 174.591 174.900 0.077 0.000 1.244 311 G CA -0.103 45.015 45.100 0.031 0.000 0.849 311 G HN 0.720 nan 8.290 nan 0.000 0.532 312 T N -0.863 113.777 114.554 0.144 0.000 2.861 312 T HA 0.646 4.982 4.350 -0.023 0.000 0.287 312 T C -1.379 173.546 174.700 0.375 0.000 1.003 312 T CA -0.855 61.383 62.100 0.229 0.000 0.977 312 T CB 1.804 70.790 68.868 0.195 0.000 0.996 312 T HN 0.433 nan 8.240 nan 0.000 0.448 313 F N 2.743 122.816 119.950 0.204 0.000 2.828 313 F HA 0.771 5.284 4.527 -0.023 0.000 0.355 313 F C -0.919 175.023 175.800 0.237 0.000 1.200 313 F CA -1.361 56.759 58.000 0.200 0.000 1.062 313 F CB 0.786 39.855 39.000 0.115 0.000 1.351 313 F HN 1.171 nan 8.300 nan 0.000 0.504 314 A N 5.729 128.728 122.820 0.299 0.000 2.606 314 A HA 0.674 4.980 4.320 -0.023 0.000 0.293 314 A C -0.383 177.269 177.584 0.113 0.000 1.082 314 A CA -0.562 51.540 52.037 0.108 0.000 0.685 314 A CB 1.025 20.144 19.000 0.198 0.000 1.284 314 A HN 0.564 nan 8.150 nan 0.000 0.408 315 I N 0.252 120.852 120.570 0.051 0.000 2.628 315 I HA 0.017 4.173 4.170 -0.023 0.000 0.255 315 I C 0.688 176.862 176.117 0.096 0.000 1.119 315 I CA 0.199 61.556 61.300 0.095 0.000 1.448 315 I CB -0.060 37.999 38.000 0.099 0.000 1.133 315 I HN 0.573 nan 8.210 nan 0.000 0.438 316 N N 0.424 119.161 118.700 0.061 0.000 2.424 316 N HA 0.119 4.845 4.740 -0.023 0.000 0.257 316 N C 0.004 175.635 175.510 0.202 0.000 1.250 316 N CA 0.099 53.197 53.050 0.080 0.000 0.946 316 N CB 1.573 40.048 38.487 -0.020 0.000 1.175 316 N HN -0.031 nan 8.380 nan 0.000 0.477 317 F N 0.160 120.135 119.950 0.042 0.000 2.138 317 F HA 0.275 4.788 4.527 -0.023 0.000 0.212 317 F C 0.730 176.602 175.800 0.121 0.000 1.162 317 F CA -0.155 57.899 58.000 0.090 0.000 1.251 317 F CB -0.438 38.591 39.000 0.049 0.000 1.676 317 F HN 0.203 nan 8.300 nan 0.000 0.409 318 S N 2.156 117.974 115.700 0.196 0.000 2.560 318 S HA 0.479 4.935 4.470 -0.023 0.000 0.284 318 S C -0.698 173.931 174.600 0.047 0.000 1.327 318 S CA -0.245 57.999 58.200 0.073 0.000 1.055 318 S CB -0.004 63.279 63.200 0.139 0.000 0.868 318 S HN 0.494 nan 8.310 nan 0.000 0.506 319 R N 1.226 121.738 120.500 0.020 0.000 2.825 319 R HA 0.329 4.655 4.340 -0.023 0.000 0.274 319 R C -3.647 172.641 176.300 -0.021 0.000 1.026 319 R CA -1.685 54.401 56.100 -0.023 0.000 0.867 319 R CB 0.249 30.495 30.300 -0.090 0.000 1.268 319 R HN 0.293 nan 8.270 nan 0.000 0.491 320 P HA 0.030 nan 4.420 nan 0.000 0.268 320 P C -0.078 177.206 177.300 -0.027 0.000 1.205 320 P CA 0.064 63.129 63.100 -0.058 0.000 0.771 320 P CB 1.301 32.960 31.700 -0.068 0.000 0.858 321 A N 3.044 125.859 122.820 -0.007 0.000 2.308 321 A HA 0.214 4.520 4.320 -0.023 0.000 0.217 321 A C 2.171 179.776 177.584 0.035 0.000 1.216 321 A CA 0.917 53.002 52.037 0.080 0.000 0.864 321 A CB -1.021 18.012 19.000 0.055 0.000 0.902 321 A HN 0.592 nan 8.150 nan 0.000 0.499 322 G N 0.088 108.877 108.800 -0.017 0.000 2.440 322 G HA2 -0.262 3.684 3.960 -0.023 0.000 0.218 322 G HA3 -0.262 3.684 3.960 -0.023 0.000 0.218 322 G C 1.450 176.337 174.900 -0.022 0.000 1.154 322 G CA 1.242 46.328 45.100 -0.024 0.000 0.767 322 G HN 0.535 nan 8.290 nan 0.000 0.552 323 Q N -0.359 119.414 119.800 -0.045 0.000 2.084 323 Q HA -0.005 4.321 4.340 -0.023 0.000 0.202 323 Q C 2.653 178.646 176.000 -0.012 0.000 0.978 323 Q CA 1.255 57.027 55.803 -0.051 0.000 0.844 323 Q CB -0.638 28.043 28.738 -0.094 0.000 0.898 323 Q HN 0.335 nan 8.270 nan 0.000 0.426 324 V N -0.033 119.889 119.914 0.013 0.000 2.548 324 V HA -0.167 3.939 4.120 -0.023 0.000 0.249 324 V C 1.736 177.927 176.094 0.162 0.000 1.055 324 V CA 1.186 63.557 62.300 0.118 0.000 1.065 324 V CB -0.169 31.773 31.823 0.198 0.000 0.681 324 V HN 0.378 nan 8.190 nan 0.000 0.462 325 I N 0.424 121.071 120.570 0.127 0.000 2.226 325 I HA -0.180 3.976 4.170 -0.023 0.000 0.245 325 I C 2.688 178.906 176.117 0.169 0.000 1.100 325 I CA 1.508 62.899 61.300 0.153 0.000 1.374 325 I CB -0.596 37.464 38.000 0.101 0.000 1.057 325 I HN 0.368 nan 8.210 nan 0.000 0.413 326 A N 0.089 122.964 122.820 0.091 0.000 1.933 326 A HA -0.292 4.014 4.320 -0.023 0.000 0.218 326 A C 2.229 179.881 177.584 0.113 0.000 1.175 326 A CA 1.955 54.045 52.037 0.088 0.000 0.628 326 A CB -0.627 18.374 19.000 0.001 0.000 0.814 326 A HN 0.437 nan 8.150 nan 0.000 0.444 327 Q N -1.500 118.321 119.800 0.034 0.000 2.084 327 Q HA -0.220 4.106 4.340 -0.023 0.000 0.202 327 Q C 1.851 177.628 176.000 -0.371 0.000 0.978 327 Q CA 2.231 57.935 55.803 -0.164 0.000 0.844 327 Q CB -0.588 28.115 28.738 -0.058 0.000 0.898 327 Q HN 0.698 nan 8.270 nan 0.000 0.426 328 Y N -0.293 119.885 120.300 -0.203 0.000 2.181 328 Y HA -0.261 4.274 4.550 -0.025 0.000 0.288 328 Y C 2.012 177.940 175.900 0.048 0.000 1.146 328 Y CA 1.785 59.837 58.100 -0.080 0.000 1.164 328 Y CB -0.764 37.739 38.460 0.072 0.000 0.982 328 Y HN 0.377 nan 8.280 nan 0.000 0.515 329 Y N 1.123 121.418 120.300 -0.009 0.000 2.128 329 Y HA -0.236 4.304 4.550 -0.017 0.000 0.284 329 Y C 2.197 178.079 175.900 -0.030 0.000 1.154 329 Y CA 2.278 60.347 58.100 -0.051 0.000 1.149 329 Y CB -0.418 38.043 38.460 0.001 0.000 0.976 329 Y HN 0.093 nan 8.280 nan 0.000 0.505 330 E N -0.023 120.115 120.200 -0.104 0.000 2.077 330 E HA -0.172 4.164 4.350 -0.023 0.000 0.193 330 E C 2.136 178.836 176.600 0.166 0.000 0.989 330 E CA 1.176 57.526 56.400 -0.083 0.000 0.800 330 E CB -0.695 29.060 29.700 0.092 0.000 0.746 330 E HN 0.461 nan 8.360 nan 0.000 0.452 331 F N 0.974 120.951 119.950 0.044 0.000 2.095 331 F HA -0.142 4.372 4.527 -0.022 0.000 0.298 331 F C 2.471 178.205 175.800 -0.110 0.000 1.104 331 F CA 0.753 58.763 58.000 0.017 0.000 1.232 331 F CB -1.163 37.819 39.000 -0.029 0.000 0.987 331 F HN -0.009 nan 8.300 nan 0.000 0.475 332 L N -0.872 120.300 121.223 -0.085 0.000 2.072 332 L HA -0.135 4.191 4.340 -0.023 0.000 0.205 332 L C 2.731 179.498 176.870 -0.173 0.000 1.079 332 L CA 1.037 55.761 54.840 -0.193 0.000 0.752 332 L CB -0.569 41.276 42.059 -0.356 0.000 0.906 332 L HN 0.035 nan 8.230 nan 0.000 0.436 333 R N 0.816 121.131 120.500 -0.308 0.000 2.073 333 R HA -0.087 4.239 4.340 -0.023 0.000 0.229 333 R C 2.042 178.245 176.300 -0.163 0.000 1.120 333 R CA 1.391 57.295 56.100 -0.327 0.000 0.967 333 R CB -0.069 29.784 30.300 -0.744 0.000 0.862 333 R HN 0.360 nan 8.270 nan 0.000 0.436 334 L N -0.829 120.338 121.223 -0.093 0.000 2.269 334 L HA 0.210 4.536 4.340 -0.023 0.000 0.200 334 L C 1.329 178.247 176.870 0.079 0.000 1.069 334 L CA 0.564 55.394 54.840 -0.016 0.000 0.804 334 L CB -0.610 41.397 42.059 -0.087 0.000 0.987 334 L HN 0.420 nan 8.230 nan 0.000 0.468 335 G N 0.328 109.223 108.800 0.158 0.000 2.752 335 G HA2 -0.320 3.626 3.960 -0.023 0.000 0.234 335 G HA3 -0.320 3.626 3.960 -0.023 0.000 0.234 335 G C 0.429 175.413 174.900 0.139 0.000 1.367 335 G CA 0.291 45.454 45.100 0.106 0.000 0.879 335 G HN 0.217 nan 8.290 nan 0.000 0.563 336 R N -0.028 120.547 120.500 0.124 0.000 2.091 336 R HA -0.076 4.250 4.340 -0.023 0.000 0.238 336 R C 2.588 178.966 176.300 0.130 0.000 1.136 336 R CA 1.819 58.047 56.100 0.213 0.000 0.959 336 R CB -0.298 30.151 30.300 0.250 0.000 0.856 336 R HN 0.740 nan 8.270 nan 0.000 0.437 337 E N -0.060 120.197 120.200 0.095 0.000 2.038 337 E HA -0.182 4.153 4.350 -0.023 0.000 0.195 337 E C 2.014 178.634 176.600 0.035 0.000 1.000 337 E CA 1.562 58.001 56.400 0.066 0.000 0.803 337 E CB -0.207 29.520 29.700 0.046 0.000 0.750 337 E HN 0.435 nan 8.360 nan 0.000 0.448 338 G N -0.588 108.225 108.800 0.021 0.000 2.402 338 G HA2 -0.258 3.688 3.960 -0.023 0.000 0.216 338 G HA3 -0.258 3.688 3.960 -0.023 0.000 0.216 338 G C 1.203 176.038 174.900 -0.107 0.000 1.162 338 G CA 0.881 45.960 45.100 -0.036 0.000 0.777 338 G HN 0.291 nan 8.290 nan 0.000 0.539 339 Y N 1.417 121.547 120.300 -0.283 0.000 2.224 339 Y HA -0.094 4.442 4.550 -0.023 0.000 0.289 339 Y C 3.342 179.039 175.900 -0.339 0.000 1.146 339 Y CA 1.721 59.524 58.100 -0.494 0.000 1.182 339 Y CB -0.530 37.112 38.460 -1.363 0.000 0.983 339 Y HN 0.141 nan 8.280 nan 0.000 0.524 340 T N -0.146 114.371 114.554 -0.062 0.000 2.708 340 T HA -0.194 4.142 4.350 -0.023 0.000 0.266 340 T C 1.822 176.577 174.700 0.093 0.000 1.037 340 T CA 1.686 63.853 62.100 0.112 0.000 1.146 340 T CB -0.184 68.781 68.868 0.162 0.000 0.865 340 T HN 0.281 nan 8.240 nan 0.000 0.435 341 K N 0.456 120.881 120.400 0.041 0.000 2.057 341 K HA -0.029 4.277 4.320 -0.023 0.000 0.207 341 K C 2.356 178.973 176.600 0.029 0.000 1.049 341 K CA 0.918 57.225 56.287 0.033 0.000 0.931 341 K CB -0.403 32.102 32.500 0.007 0.000 0.714 341 K HN 0.138 nan 8.250 nan 0.000 0.440 342 V N 1.810 121.720 119.914 -0.007 0.000 2.307 342 V HA -0.238 3.868 4.120 -0.023 0.000 0.245 342 V C 2.349 178.492 176.094 0.081 0.000 1.045 342 V CA 1.614 63.912 62.300 -0.004 0.000 1.024 342 V CB -0.414 31.356 31.823 -0.088 0.000 0.651 342 V HN 0.334 nan 8.190 nan 0.000 0.449 343 Q N -0.051 119.836 119.800 0.144 0.000 2.119 343 Q HA -0.168 4.158 4.340 -0.023 0.000 0.201 343 Q C 2.007 178.193 176.000 0.310 0.000 0.972 343 Q CA 1.503 57.460 55.803 0.257 0.000 0.847 343 Q CB -0.812 28.156 28.738 0.383 0.000 0.903 343 Q HN 0.730 nan 8.270 nan 0.000 0.433 344 N N 0.590 119.444 118.700 0.256 0.000 2.149 344 N HA -0.132 4.593 4.740 -0.023 0.000 0.188 344 N C 1.730 177.347 175.510 0.178 0.000 1.019 344 N CA 0.877 54.067 53.050 0.235 0.000 0.857 344 N CB -0.020 38.548 38.487 0.136 0.000 0.997 344 N HN 0.252 nan 8.380 nan 0.000 0.426 345 A N 0.332 123.220 122.820 0.112 0.000 1.930 345 A HA -0.085 4.221 4.320 -0.023 0.000 0.217 345 A C 2.352 179.980 177.584 0.072 0.000 1.175 345 A CA 1.325 53.399 52.037 0.062 0.000 0.627 345 A CB -0.482 18.530 19.000 0.021 0.000 0.815 345 A HN 0.157 nan 8.150 nan 0.000 0.443 346 S N -1.478 114.274 115.700 0.087 0.000 2.368 346 S HA -0.127 4.329 4.470 -0.023 0.000 0.224 346 S C 1.818 176.423 174.600 0.008 0.000 1.029 346 S CA 1.452 59.681 58.200 0.048 0.000 0.988 346 S CB -0.516 62.703 63.200 0.031 0.000 0.838 346 S HN 0.660 nan 8.310 nan 0.000 0.462 347 Y N 1.811 122.149 120.300 0.063 0.000 2.293 347 Y HA -0.118 4.418 4.550 -0.023 0.000 0.291 347 Y C 2.674 178.591 175.900 0.029 0.000 1.137 347 Y CA 1.303 59.421 58.100 0.031 0.000 1.202 347 Y CB -0.462 38.009 38.460 0.019 0.000 0.990 347 Y HN 0.326 nan 8.280 nan 0.000 0.537 348 Q N -0.090 119.817 119.800 0.178 0.000 2.084 348 Q HA -0.158 4.168 4.340 -0.023 0.000 0.202 348 Q C 2.110 178.163 176.000 0.088 0.000 0.978 348 Q CA 1.982 57.845 55.803 0.100 0.000 0.844 348 Q CB -0.183 28.584 28.738 0.049 0.000 0.898 348 Q HN 0.340 nan 8.270 nan 0.000 0.426 349 V N 1.011 120.967 119.914 0.070 0.000 2.307 349 V HA -0.251 3.855 4.120 -0.023 0.000 0.245 349 V C 2.413 178.581 176.094 0.123 0.000 1.045 349 V CA 1.748 64.091 62.300 0.072 0.000 1.024 349 V CB -1.085 30.752 31.823 0.023 0.000 0.651 349 V HN 0.539 nan 8.190 nan 0.000 0.449 350 A N 0.121 123.001 122.820 0.100 0.000 1.883 350 A HA -0.166 4.140 4.320 -0.023 0.000 0.217 350 A C 2.436 180.050 177.584 0.051 0.000 1.186 350 A CA 2.281 54.362 52.037 0.074 0.000 0.624 350 A CB -0.899 18.123 19.000 0.036 0.000 0.822 350 A HN 0.581 nan 8.150 nan 0.000 0.444 351 A N -1.535 121.328 122.820 0.072 0.000 1.902 351 A HA -0.123 4.183 4.320 -0.023 0.000 0.217 351 A C 2.148 179.736 177.584 0.007 0.000 1.181 351 A CA 1.790 53.843 52.037 0.027 0.000 0.623 351 A CB -0.830 18.201 19.000 0.052 0.000 0.818 351 A HN 0.767 nan 8.150 nan 0.000 0.443 352 Y N 0.589 120.850 120.300 -0.066 0.000 2.114 352 Y HA -0.182 4.354 4.550 -0.023 0.000 0.284 352 Y C 1.982 177.812 175.900 -0.117 0.000 1.143 352 Y CA 1.876 59.923 58.100 -0.088 0.000 1.135 352 Y CB -0.491 37.920 38.460 -0.081 0.000 0.980 352 Y HN 0.212 nan 8.280 nan 0.000 0.499 353 L N -0.257 120.851 121.223 -0.192 0.000 2.042 353 L HA -0.248 4.078 4.340 -0.023 0.000 0.210 353 L C 2.789 179.467 176.870 -0.320 0.000 1.076 353 L CA 1.252 55.911 54.840 -0.302 0.000 0.749 353 L CB -1.100 40.897 42.059 -0.104 0.000 0.893 353 L HN 0.364 nan 8.230 nan 0.000 0.432 354 A N 0.064 122.738 122.820 -0.242 0.000 1.902 354 A HA -0.309 3.997 4.320 -0.023 0.000 0.217 354 A C 1.971 179.228 177.584 -0.546 0.000 1.181 354 A CA 2.258 54.073 52.037 -0.369 0.000 0.623 354 A CB -0.705 18.084 19.000 -0.352 0.000 0.818 354 A HN 0.482 nan 8.150 nan 0.000 0.443 355 D N -1.024 119.131 120.400 -0.407 0.000 2.117 355 D HA -0.136 4.490 4.640 -0.023 0.000 0.198 355 D C 1.902 178.002 176.300 -0.333 0.000 0.982 355 D CA 1.383 55.172 54.000 -0.351 0.000 0.828 355 D CB 0.009 40.667 40.800 -0.236 0.000 0.967 355 D HN 0.364 nan 8.370 nan 0.000 0.464 356 E N 0.063 120.006 120.200 -0.429 0.000 2.072 356 E HA -0.064 4.271 4.350 -0.023 0.000 0.190 356 E C 2.417 178.831 176.600 -0.310 0.000 0.982 356 E CA 0.442 56.601 56.400 -0.401 0.000 0.803 356 E CB -0.165 29.167 29.700 -0.613 0.000 0.755 356 E HN 0.500 nan 8.360 nan 0.000 0.453 357 I N 1.182 121.531 120.570 -0.368 0.000 2.394 357 I HA -0.200 3.956 4.170 -0.023 0.000 0.251 357 I C 2.369 178.480 176.117 -0.009 0.000 1.136 357 I CA 0.792 61.868 61.300 -0.374 0.000 1.425 357 I CB -0.291 37.312 38.000 -0.661 0.000 1.079 357 I HN -0.029 nan 8.210 nan 0.000 0.425 358 A N 1.619 124.461 122.820 0.037 0.000 2.024 358 A HA -0.208 4.098 4.320 -0.023 0.000 0.220 358 A C 2.170 179.807 177.584 0.088 0.000 1.164 358 A CA 1.650 53.807 52.037 0.199 0.000 0.643 358 A CB -0.450 18.487 19.000 -0.105 0.000 0.806 358 A HN 0.522 nan 8.150 nan 0.000 0.451 359 K N -0.214 120.184 120.400 -0.004 0.000 2.417 359 K HA 0.263 4.569 4.320 -0.023 0.000 0.196 359 K C 0.774 177.377 176.600 0.005 0.000 1.023 359 K CA 0.243 56.520 56.287 -0.017 0.000 1.122 359 K CB -0.073 32.401 32.500 -0.043 0.000 0.850 359 K HN 0.480 nan 8.250 nan 0.000 0.521 360 L N 0.386 121.645 121.223 0.060 0.000 2.616 360 L HA 0.290 4.616 4.340 -0.023 0.000 0.229 360 L C 0.805 177.718 176.870 0.071 0.000 1.110 360 L CA -0.035 54.880 54.840 0.125 0.000 0.884 360 L CB 0.619 42.831 42.059 0.254 0.000 1.115 360 L HN 0.354 nan 8.230 nan 0.000 0.481 361 G N -0.277 108.398 108.800 -0.208 0.000 2.506 361 G HA2 0.290 4.236 3.960 -0.023 0.000 0.292 361 G HA3 0.290 4.236 3.960 -0.023 0.000 0.292 361 G C -2.955 171.417 174.900 -0.880 0.000 1.425 361 G CA -0.458 44.247 45.100 -0.659 0.000 0.788 361 G HN -0.320 nan 8.290 nan 0.000 0.490 362 P HA 0.289 nan 4.420 nan 0.000 0.244 362 P C -1.341 175.793 177.300 -0.276 0.000 1.769 362 P CA 0.037 62.926 63.100 -0.352 0.000 1.102 362 P CB -0.456 31.118 31.700 -0.210 0.000 1.937 363 Y N -0.135 120.188 120.300 0.040 0.000 2.487 363 Y HA 0.536 5.072 4.550 -0.023 0.000 0.337 363 Y C 0.845 176.741 175.900 -0.006 0.000 1.076 363 Y CA -1.655 56.432 58.100 -0.021 0.000 1.115 363 Y CB 1.620 39.950 38.460 -0.216 0.000 1.235 363 Y HN 0.208 nan 8.280 nan 0.000 0.468 364 E N 1.787 122.057 120.200 0.118 0.000 2.191 364 E HA 0.469 4.805 4.350 -0.023 0.000 0.263 364 E C -1.855 174.762 176.600 0.030 0.000 0.881 364 E CA -0.530 55.946 56.400 0.128 0.000 0.757 364 E CB 0.751 30.506 29.700 0.092 0.000 1.147 364 E HN 0.426 nan 8.360 nan 0.000 0.414 365 F N 4.180 124.210 119.950 0.133 0.000 2.384 365 F HA 0.333 4.846 4.527 -0.024 0.000 0.338 365 F C 1.094 176.952 175.800 0.097 0.000 1.103 365 F CA -0.368 57.710 58.000 0.130 0.000 1.157 365 F CB 0.853 39.894 39.000 0.069 0.000 1.167 365 F HN 0.555 nan 8.300 nan 0.000 0.529 366 I N 0.469 121.175 120.570 0.227 0.000 3.339 366 I HA 0.074 4.230 4.170 -0.023 0.000 0.285 366 I C 0.123 176.336 176.117 0.160 0.000 1.201 366 I CA 0.631 62.026 61.300 0.159 0.000 1.434 366 I CB 0.657 38.718 38.000 0.101 0.000 1.152 366 I HN 0.467 nan 8.210 nan 0.000 0.443 367 C N 0.917 120.331 119.300 0.191 0.000 2.608 367 C HA 0.472 4.918 4.460 -0.023 0.000 0.325 367 C C 0.887 175.983 174.990 0.177 0.000 1.147 367 C CA -0.241 58.856 59.018 0.133 0.000 1.359 367 C CB 0.836 28.622 27.740 0.077 0.000 1.912 367 C HN 0.480 nan 8.230 nan 0.000 0.466 368 T N 0.331 114.941 114.554 0.092 0.000 3.252 368 T HA 0.419 4.754 4.350 -0.023 0.000 0.286 368 T C 1.043 175.756 174.700 0.022 0.000 1.013 368 T CA 0.669 62.784 62.100 0.026 0.000 0.914 368 T CB 0.025 68.840 68.868 -0.088 0.000 1.131 368 T HN 2.204 nan 8.240 nan 0.000 0.529 369 G N 2.298 111.132 108.800 0.058 0.000 2.198 369 G HA2 -0.264 3.682 3.960 -0.023 0.000 0.257 369 G HA3 -0.264 3.682 3.960 -0.023 0.000 0.257 369 G C -0.065 174.964 174.900 0.215 0.000 1.042 369 G CA -0.475 44.707 45.100 0.136 0.000 0.791 369 G HN 0.684 nan 8.290 nan 0.000 0.502 370 R N 0.293 120.846 120.500 0.087 0.000 2.234 370 R HA 0.283 4.609 4.340 -0.023 0.000 0.324 370 R C -0.966 175.274 176.300 -0.100 0.000 1.054 370 R CA -1.404 54.691 56.100 -0.008 0.000 0.912 370 R CB 1.392 31.685 30.300 -0.012 0.000 1.030 370 R HN 0.131 nan 8.270 nan 0.000 0.455 371 P HA -0.188 nan 4.420 nan 0.000 0.222 371 P C 0.270 177.492 177.300 -0.129 0.000 1.147 371 P CA 1.279 63.998 63.100 -0.635 0.000 0.790 371 P CB 0.263 31.414 31.700 -0.915 0.000 0.780 372 D N -0.386 119.994 120.400 -0.033 0.000 2.349 372 D HA -0.078 4.548 4.640 -0.023 0.000 0.215 372 D C 1.305 177.769 176.300 0.273 0.000 1.016 372 D CA 0.547 54.622 54.000 0.125 0.000 0.870 372 D CB -0.323 40.513 40.800 0.060 0.000 0.917 372 D HN 0.280 nan 8.370 nan 0.000 0.524 373 E N -0.313 119.969 120.200 0.136 0.000 2.434 373 E HA 0.374 4.710 4.350 -0.023 0.000 0.207 373 E C 1.024 177.485 176.600 -0.231 0.000 0.929 373 E CA 0.299 56.779 56.400 0.134 0.000 1.001 373 E CB 1.332 31.067 29.700 0.058 0.000 1.016 373 E HN 0.313 nan 8.360 nan 0.000 0.502 374 G N 1.427 109.873 108.800 -0.590 0.000 2.435 374 G HA2 0.259 4.205 3.960 -0.023 0.000 0.228 374 G HA3 0.259 4.205 3.960 -0.023 0.000 0.228 374 G C -1.147 173.194 174.900 -0.931 0.000 1.198 374 G CA -0.606 43.673 45.100 -1.369 0.000 0.948 374 G HN 0.096 nan 8.290 nan 0.000 0.487 375 I N -1.166 118.992 120.570 -0.688 0.000 3.110 375 I HA 0.659 4.815 4.170 -0.023 0.000 0.314 375 I C -2.420 173.439 176.117 -0.429 0.000 1.020 375 I CA -2.449 58.538 61.300 -0.523 0.000 1.169 375 I CB 1.864 39.539 38.000 -0.541 0.000 1.437 375 I HN 0.091 nan 8.210 nan 0.000 0.595 376 P HA 0.293 nan 4.420 nan 0.000 0.249 376 P C -1.025 176.125 177.300 -0.250 0.000 1.737 376 P CA 0.177 62.893 63.100 -0.641 0.000 1.128 376 P CB 0.063 31.309 31.700 -0.757 0.000 1.942 377 A N 1.740 124.469 122.820 -0.153 0.000 2.594 377 A HA 0.704 5.010 4.320 -0.023 0.000 0.291 377 A C -1.248 176.342 177.584 0.009 0.000 1.105 377 A CA -0.614 51.374 52.037 -0.083 0.000 0.694 377 A CB 1.511 20.439 19.000 -0.120 0.000 1.291 377 A HN 0.071 nan 8.150 nan 0.000 0.410 378 V N 0.162 120.111 119.914 0.058 0.000 2.444 378 V HA 0.560 4.666 4.120 -0.023 0.000 0.294 378 V C -0.648 175.568 176.094 0.203 0.000 1.022 378 V CA -0.514 61.885 62.300 0.165 0.000 0.850 378 V CB 0.978 32.905 31.823 0.173 0.000 0.992 378 V HN 1.068 nan 8.190 nan 0.000 0.426 379 C N 7.741 127.189 119.300 0.246 0.000 2.431 379 C HA 0.946 5.392 4.460 -0.023 0.000 0.321 379 C C -0.880 174.184 174.990 0.125 0.000 1.202 379 C CA -0.679 58.404 59.018 0.109 0.000 1.398 379 C CB 0.249 28.029 27.740 0.067 0.000 2.047 379 C HN 0.878 nan 8.230 nan 0.000 0.465 380 F N 3.792 123.556 119.950 -0.310 0.000 2.711 380 F HA 0.836 5.349 4.527 -0.024 0.000 0.313 380 F C -1.090 174.472 175.800 -0.396 0.000 1.141 380 F CA -0.992 56.705 58.000 -0.505 0.000 0.941 380 F CB 1.029 39.324 39.000 -1.174 0.000 1.349 380 F HN 0.666 nan 8.300 nan 0.000 0.464 381 K N 1.097 121.366 120.400 -0.219 0.000 2.495 381 K HA 0.724 5.030 4.320 -0.023 0.000 0.268 381 K C -1.786 174.839 176.600 0.042 0.000 1.008 381 K CA -1.031 55.136 56.287 -0.200 0.000 0.882 381 K CB 2.377 34.780 32.500 -0.162 0.000 1.443 381 K HN 0.841 nan 8.250 nan 0.000 0.447 382 L N 2.126 123.379 121.223 0.050 0.000 2.426 382 L HA 0.217 4.543 4.340 -0.023 0.000 0.271 382 L C 0.290 177.188 176.870 0.047 0.000 1.169 382 L CA -0.482 54.435 54.840 0.127 0.000 0.836 382 L CB 0.436 42.515 42.059 0.034 0.000 1.112 382 L HN 0.571 nan 8.230 nan 0.000 0.465 383 K N 1.893 122.319 120.400 0.044 0.000 2.469 383 K HA 0.008 4.314 4.320 -0.023 0.000 0.274 383 K C -0.487 176.110 176.600 -0.005 0.000 0.983 383 K CA -0.446 55.852 56.287 0.018 0.000 0.974 383 K CB 0.247 32.752 32.500 0.008 0.000 0.913 383 K HN 0.452 nan 8.250 nan 0.000 0.493 384 D N 1.208 121.606 120.400 -0.003 0.000 2.531 384 D HA -0.014 4.612 4.640 -0.023 0.000 0.239 384 D C 1.169 177.459 176.300 -0.017 0.000 1.144 384 D CA 1.267 55.261 54.000 -0.011 0.000 0.869 384 D CB 0.696 41.493 40.800 -0.005 0.000 1.160 384 D HN 0.818 nan 8.370 nan 0.000 0.484 385 G N 2.216 111.002 108.800 -0.023 0.000 2.148 385 G HA2 -0.247 3.699 3.960 -0.023 0.000 0.254 385 G HA3 -0.247 3.699 3.960 -0.023 0.000 0.254 385 G C 0.035 174.913 174.900 -0.036 0.000 0.981 385 G CA -0.100 44.984 45.100 -0.026 0.000 0.670 385 G HN 0.495 nan 8.290 nan 0.000 0.528 386 E N 0.546 120.718 120.200 -0.047 0.000 2.151 386 E HA 0.473 4.809 4.350 -0.023 0.000 0.275 386 E C -1.141 175.401 176.600 -0.096 0.000 0.936 386 E CA -0.576 55.783 56.400 -0.068 0.000 0.777 386 E CB 1.891 31.547 29.700 -0.073 0.000 1.108 386 E HN 0.215 nan 8.360 nan 0.000 0.401 387 D N 3.842 124.177 120.400 -0.107 0.000 2.408 387 D HA 0.200 4.826 4.640 -0.023 0.000 0.261 387 D C -1.588 174.608 176.300 -0.174 0.000 1.190 387 D CA -1.788 52.130 54.000 -0.137 0.000 0.910 387 D CB 1.050 41.799 40.800 -0.086 0.000 1.097 387 D HN 0.114 nan 8.370 nan 0.000 0.522 388 P HA 0.187 nan 4.420 nan 0.000 0.242 388 P C 0.793 177.960 177.300 -0.222 0.000 1.197 388 P CA 0.512 63.423 63.100 -0.314 0.000 0.765 388 P CB 0.432 31.790 31.700 -0.570 0.000 0.936 389 G N -0.360 108.316 108.800 -0.206 0.000 2.144 389 G HA2 -0.174 3.772 3.960 -0.023 0.000 0.218 389 G HA3 -0.174 3.772 3.960 -0.023 0.000 0.218 389 G C -0.227 174.718 174.900 0.075 0.000 0.988 389 G CA -0.019 45.064 45.100 -0.029 0.000 0.659 389 G HN 0.581 nan 8.290 nan 0.000 0.522 390 Y N -1.518 118.806 120.300 0.040 0.000 2.641 390 Y HA 0.761 5.298 4.550 -0.023 0.000 0.333 390 Y C -0.161 175.769 175.900 0.050 0.000 1.174 390 Y CA -0.895 57.235 58.100 0.050 0.000 1.057 390 Y CB 0.467 38.958 38.460 0.053 0.000 1.322 390 Y HN 0.723 nan 8.280 nan 0.000 0.457 391 T N -0.885 113.830 114.554 0.269 0.000 2.948 391 T HA 0.475 4.811 4.350 -0.023 0.000 0.285 391 T C 0.541 175.368 174.700 0.212 0.000 1.019 391 T CA -0.999 61.195 62.100 0.157 0.000 1.013 391 T CB 1.294 70.261 68.868 0.165 0.000 1.117 391 T HN 0.850 nan 8.240 nan 0.000 0.533 392 L N -0.140 121.068 121.223 -0.025 0.000 2.362 392 L HA 0.002 4.328 4.340 -0.023 0.000 0.219 392 L C 2.037 178.830 176.870 -0.128 0.000 1.134 392 L CA 0.922 55.691 54.840 -0.118 0.000 0.807 392 L CB -0.670 41.174 42.059 -0.357 0.000 0.927 392 L HN 0.684 nan 8.230 nan 0.000 0.447 393 Y N 0.211 120.519 120.300 0.013 0.000 2.200 393 Y HA -0.210 4.326 4.550 -0.024 0.000 0.290 393 Y C 2.458 178.369 175.900 0.018 0.000 1.137 393 Y CA 0.877 58.982 58.100 0.009 0.000 1.163 393 Y CB -0.471 38.000 38.460 0.018 0.000 0.988 393 Y HN 0.216 nan 8.280 nan 0.000 0.518 394 D N -0.214 120.309 120.400 0.205 0.000 2.097 394 D HA -0.158 4.468 4.640 -0.023 0.000 0.195 394 D C 2.242 178.562 176.300 0.033 0.000 0.989 394 D CA 1.010 55.087 54.000 0.127 0.000 0.827 394 D CB -0.574 40.322 40.800 0.159 0.000 0.966 394 D HN 0.228 nan 8.370 nan 0.000 0.456 395 L N 0.932 122.141 121.223 -0.023 0.000 2.012 395 L HA -0.155 4.171 4.340 -0.023 0.000 0.210 395 L C 2.363 179.175 176.870 -0.097 0.000 1.073 395 L CA 1.627 56.372 54.840 -0.157 0.000 0.748 395 L CB -0.929 40.989 42.059 -0.235 0.000 0.891 395 L HN -0.083 nan 8.230 nan 0.000 0.431 396 S N -0.988 114.694 115.700 -0.031 0.000 2.370 396 S HA -0.289 4.167 4.470 -0.023 0.000 0.226 396 S C 2.083 176.702 174.600 0.032 0.000 1.033 396 S CA 1.669 59.875 58.200 0.011 0.000 1.011 396 S CB -0.420 62.809 63.200 0.050 0.000 0.852 396 S HN 0.668 nan 8.310 nan 0.000 0.457 397 E N 0.036 120.258 120.200 0.037 0.000 2.072 397 E HA -0.163 4.173 4.350 -0.023 0.000 0.191 397 E C 2.316 178.912 176.600 -0.007 0.000 0.985 397 E CA 0.790 57.206 56.400 0.027 0.000 0.801 397 E CB -0.076 29.645 29.700 0.035 0.000 0.750 397 E HN 0.295 nan 8.360 nan 0.000 0.452 398 R N 0.524 121.001 120.500 -0.038 0.000 2.083 398 R HA -0.117 4.209 4.340 -0.023 0.000 0.237 398 R C 2.574 178.854 176.300 -0.034 0.000 1.137 398 R CA 0.997 57.047 56.100 -0.083 0.000 0.951 398 R CB -1.077 29.149 30.300 -0.123 0.000 0.851 398 R HN 0.346 nan 8.270 nan 0.000 0.434 399 L N 0.276 121.500 121.223 0.002 0.000 2.127 399 L HA -0.120 4.206 4.340 -0.023 0.000 0.211 399 L C 2.741 179.725 176.870 0.192 0.000 1.089 399 L CA 1.208 56.119 54.840 0.119 0.000 0.757 399 L CB -0.402 41.709 42.059 0.086 0.000 0.899 399 L HN 0.170 nan 8.230 nan 0.000 0.434 400 R N 0.553 121.114 120.500 0.102 0.000 2.193 400 R HA -0.122 4.204 4.340 -0.023 0.000 0.229 400 R C 2.153 178.469 176.300 0.026 0.000 1.110 400 R CA 0.807 56.953 56.100 0.077 0.000 0.988 400 R CB -0.098 30.231 30.300 0.049 0.000 0.871 400 R HN 0.372 nan 8.270 nan 0.000 0.458 401 L N 0.107 121.334 121.223 0.006 0.000 2.362 401 L HA -0.085 4.241 4.340 -0.023 0.000 0.219 401 L C 1.613 178.463 176.870 -0.033 0.000 1.134 401 L CA 0.774 55.595 54.840 -0.032 0.000 0.807 401 L CB -0.099 41.917 42.059 -0.072 0.000 0.927 401 L HN 0.054 nan 8.230 nan 0.000 0.447 402 R N -0.289 120.210 120.500 -0.002 0.000 2.468 402 R HA 0.251 4.577 4.340 -0.023 0.000 0.280 402 R C 1.189 177.333 176.300 -0.260 0.000 0.963 402 R CA 0.585 56.644 56.100 -0.069 0.000 1.083 402 R CB 0.489 30.823 30.300 0.057 0.000 1.200 402 R HN 0.331 nan 8.270 nan 0.000 0.541 403 G N 0.109 108.805 108.800 -0.174 0.000 2.213 403 G HA2 -0.239 3.707 3.960 -0.023 0.000 0.236 403 G HA3 -0.239 3.707 3.960 -0.023 0.000 0.236 403 G C -0.246 174.546 174.900 -0.180 0.000 0.991 403 G CA -0.197 44.772 45.100 -0.219 0.000 0.629 403 G HN 0.296 nan 8.290 nan 0.000 0.517 404 W N 1.494 122.790 121.300 -0.007 0.000 2.238 404 W HA 0.619 5.266 4.660 -0.022 0.000 0.321 404 W C 0.814 177.320 176.519 -0.021 0.000 1.293 404 W CA -0.460 56.870 57.345 -0.026 0.000 1.204 404 W CB 0.587 30.030 29.460 -0.029 0.000 1.167 404 W HN 0.073 nan 8.180 nan 0.000 0.553 405 Q N 2.447 122.388 119.800 0.235 0.000 2.462 405 Q HA 0.360 4.686 4.340 -0.023 0.000 0.247 405 Q C -1.060 175.005 176.000 0.108 0.000 1.044 405 Q CA -0.538 55.345 55.803 0.134 0.000 0.803 405 Q CB 1.538 30.329 28.738 0.088 0.000 1.190 405 Q HN 0.258 nan 8.270 nan 0.000 0.507 406 V N 4.807 124.779 119.914 0.097 0.000 2.349 406 V HA 0.339 4.445 4.120 -0.023 0.000 0.284 406 V C -2.033 174.102 176.094 0.068 0.000 1.014 406 V CA -1.815 60.517 62.300 0.053 0.000 0.826 406 V CB 1.171 33.008 31.823 0.022 0.000 1.009 406 V HN 0.592 nan 8.190 nan 0.000 0.431 407 P HA 0.415 nan 4.420 nan 0.000 0.275 407 P C -0.719 176.653 177.300 0.120 0.000 1.227 407 P CA -0.047 63.168 63.100 0.192 0.000 0.781 407 P CB 1.732 33.613 31.700 0.302 0.000 0.906 408 A N 4.035 126.919 122.820 0.107 0.000 2.330 408 A HA 0.823 5.129 4.320 -0.023 0.000 0.313 408 A C -0.807 176.814 177.584 0.062 0.000 1.124 408 A CA -0.525 51.406 52.037 -0.177 0.000 0.774 408 A CB 0.525 19.372 19.000 -0.254 0.000 1.198 408 A HN 0.550 nan 8.150 nan 0.000 0.465 409 F N -0.535 119.375 119.950 -0.068 0.000 2.713 409 F HA 0.766 5.279 4.527 -0.024 0.000 0.311 409 F C 0.008 175.810 175.800 0.004 0.000 1.141 409 F CA -0.605 57.435 58.000 0.067 0.000 0.939 409 F CB 0.971 40.026 39.000 0.091 0.000 1.325 409 F HN 0.517 nan 8.300 nan 0.000 0.453 410 T N 0.432 115.158 114.554 0.287 0.000 2.909 410 T HA 0.663 4.998 4.350 -0.023 0.000 0.289 410 T C -0.094 174.730 174.700 0.208 0.000 1.005 410 T CA -0.734 61.453 62.100 0.144 0.000 1.084 410 T CB 1.095 70.044 68.868 0.135 0.000 0.975 410 T HN 0.747 nan 8.240 nan 0.000 0.509 411 L N 1.502 122.780 121.223 0.092 0.000 2.475 411 L HA 0.577 4.903 4.340 -0.023 0.000 0.253 411 L C 1.439 178.295 176.870 -0.023 0.000 1.198 411 L CA -0.671 54.206 54.840 0.062 0.000 0.814 411 L CB 0.198 42.272 42.059 0.024 0.000 1.134 411 L HN 0.986 nan 8.230 nan 0.000 0.478 412 G N -1.360 107.367 108.800 -0.121 0.000 2.736 412 G HA2 0.534 4.480 3.960 -0.023 0.000 0.229 412 G HA3 0.534 4.480 3.960 -0.023 0.000 0.229 412 G C 0.341 175.193 174.900 -0.080 0.000 1.380 412 G CA -0.063 44.965 45.100 -0.121 0.000 1.040 412 G HN 0.960 nan 8.290 nan 0.000 0.568 413 G N -0.120 108.640 108.800 -0.067 0.000 2.651 413 G HA2 -0.309 3.637 3.960 -0.023 0.000 0.315 413 G HA3 -0.309 3.637 3.960 -0.023 0.000 0.315 413 G C 0.577 175.455 174.900 -0.036 0.000 1.258 413 G CA 0.804 45.877 45.100 -0.046 0.000 1.002 413 G HN 0.757 nan 8.290 nan 0.000 0.551 414 E N 1.408 121.585 120.200 -0.038 0.000 2.411 414 E HA 0.520 4.856 4.350 -0.023 0.000 0.204 414 E C 0.853 177.434 176.600 -0.031 0.000 1.059 414 E CA 0.405 56.786 56.400 -0.032 0.000 1.112 414 E CB 0.545 30.225 29.700 -0.034 0.000 1.168 414 E HN 0.864 nan 8.360 nan 0.000 0.445 415 A N 0.677 123.479 122.820 -0.031 0.000 2.568 415 A HA 0.058 4.364 4.320 -0.023 0.000 0.287 415 A C 1.520 179.093 177.584 -0.018 0.000 0.967 415 A CA -0.351 51.671 52.037 -0.026 0.000 1.004 415 A CB -0.319 18.664 19.000 -0.028 0.000 1.233 415 A HN 0.225 nan 8.150 nan 0.000 0.513 416 T N -1.371 113.175 114.554 -0.014 0.000 3.051 416 T HA -0.137 4.199 4.350 -0.023 0.000 0.269 416 T C 1.123 175.828 174.700 0.010 0.000 1.127 416 T CA 1.356 63.456 62.100 -0.000 0.000 1.107 416 T CB -0.417 68.451 68.868 -0.001 0.000 0.898 416 T HN 0.576 nan 8.240 nan 0.000 0.517 417 D N 0.945 121.345 120.400 -0.001 0.000 2.323 417 D HA 0.031 4.657 4.640 -0.023 0.000 0.209 417 D C 0.749 177.043 176.300 -0.011 0.000 0.973 417 D CA -0.072 53.929 54.000 0.001 0.000 0.874 417 D CB -0.171 40.626 40.800 -0.005 0.000 0.930 417 D HN 0.453 nan 8.370 nan 0.000 0.521 418 I N 1.798 122.353 120.570 -0.024 0.000 2.352 418 I HA 0.108 4.264 4.170 -0.023 0.000 0.290 418 I C -0.240 175.822 176.117 -0.093 0.000 1.036 418 I CA -0.659 60.608 61.300 -0.055 0.000 1.336 418 I CB 1.887 39.855 38.000 -0.053 0.000 1.407 418 I HN -0.274 nan 8.210 nan 0.000 0.497 419 V N 7.487 127.306 119.914 -0.157 0.000 2.435 419 V HA 0.450 4.556 4.120 -0.023 0.000 0.290 419 V C 0.115 175.963 176.094 -0.410 0.000 1.030 419 V CA -0.547 61.581 62.300 -0.287 0.000 0.881 419 V CB 1.768 33.368 31.823 -0.372 0.000 0.983 419 V HN 0.574 nan 8.190 nan 0.000 0.445 420 V N 2.799 122.360 119.914 -0.588 0.000 3.074 420 V HA 0.771 4.877 4.120 -0.023 0.000 0.314 420 V C -0.612 174.925 176.094 -0.930 0.000 1.117 420 V CA -0.967 60.904 62.300 -0.715 0.000 1.014 420 V CB 2.138 33.596 31.823 -0.607 0.000 1.057 420 V HN 0.875 nan 8.190 nan 0.000 0.438 421 M N 2.972 121.999 119.600 -0.954 0.000 2.393 421 M HA 0.670 5.136 4.480 -0.023 0.000 0.316 421 M C -0.807 175.152 176.300 -0.568 0.000 1.087 421 M CA -0.633 54.187 55.300 -0.801 0.000 0.937 421 M CB 1.790 33.815 32.600 -0.959 0.000 1.668 421 M HN 0.956 nan 8.290 nan 0.000 0.438 422 R N 5.166 125.528 120.500 -0.229 0.000 2.561 422 R HA 0.675 5.001 4.340 -0.023 0.000 0.297 422 R C -1.991 174.322 176.300 0.022 0.000 0.969 422 R CA -0.502 55.587 56.100 -0.018 0.000 0.879 422 R CB 1.450 31.870 30.300 0.199 0.000 1.178 422 R HN 0.839 nan 8.270 nan 0.000 0.445 423 I N 5.153 125.733 120.570 0.017 0.000 2.382 423 I HA 0.308 4.464 4.170 -0.023 0.000 0.286 423 I C -0.336 175.728 176.117 -0.088 0.000 1.002 423 I CA -0.874 60.403 61.300 -0.038 0.000 1.135 423 I CB 1.844 39.837 38.000 -0.011 0.000 1.288 423 I HN 0.393 nan 8.210 nan 0.000 0.448 424 M N 5.228 124.726 119.600 -0.170 0.000 2.188 424 M HA 0.273 4.739 4.480 -0.023 0.000 0.357 424 M C -0.695 175.475 176.300 -0.217 0.000 1.204 424 M CA -0.469 54.689 55.300 -0.236 0.000 1.095 424 M CB 0.955 33.350 32.600 -0.342 0.000 1.604 424 M HN 0.538 nan 8.290 nan 0.000 0.464 425 C N 5.035 124.287 119.300 -0.079 0.000 2.242 425 C HA 0.493 4.939 4.460 -0.023 0.000 0.317 425 C C 0.833 175.890 174.990 0.111 0.000 1.087 425 C CA -0.930 58.144 59.018 0.093 0.000 1.535 425 C CB -0.671 27.179 27.740 0.183 0.000 1.893 425 C HN 0.802 nan 8.230 nan 0.000 0.426 426 R N 0.783 121.316 120.500 0.054 0.000 2.541 426 R HA 0.528 4.854 4.340 -0.023 0.000 0.254 426 R C 0.449 176.812 176.300 0.105 0.000 1.130 426 R CA -0.865 55.243 56.100 0.012 0.000 1.152 426 R CB 0.793 31.022 30.300 -0.119 0.000 1.222 426 R HN 0.587 nan 8.270 nan 0.000 0.579 427 R N 0.117 120.655 120.500 0.062 0.000 2.570 427 R HA 0.079 4.404 4.340 -0.023 0.000 0.277 427 R C 0.282 176.625 176.300 0.072 0.000 1.039 427 R CA 1.382 57.521 56.100 0.066 0.000 1.065 427 R CB 0.106 30.450 30.300 0.074 0.000 0.964 427 R HN 0.883 nan 8.270 nan 0.000 0.428 428 G N 3.341 112.130 108.800 -0.019 0.000 2.159 428 G HA2 -0.258 3.688 3.960 -0.023 0.000 0.227 428 G HA3 -0.258 3.688 3.960 -0.023 0.000 0.227 428 G C -0.369 174.666 174.900 0.227 0.000 0.986 428 G CA 0.036 45.096 45.100 -0.067 0.000 0.651 428 G HN 0.574 nan 8.290 nan 0.000 0.523 429 F N 3.560 123.564 119.950 0.089 0.000 2.532 429 F HA 0.428 4.940 4.527 -0.025 0.000 0.313 429 F C 0.807 176.689 175.800 0.138 0.000 1.301 429 F CA -1.677 56.450 58.000 0.211 0.000 1.154 429 F CB 0.011 39.079 39.000 0.113 0.000 1.335 429 F HN 0.321 nan 8.300 nan 0.000 0.542 430 E N 1.031 121.230 120.200 -0.001 0.000 2.425 430 E HA -0.100 4.236 4.350 -0.023 0.000 0.258 430 E C 1.218 177.687 176.600 -0.218 0.000 1.151 430 E CA -0.264 56.069 56.400 -0.111 0.000 0.958 430 E CB 0.675 30.314 29.700 -0.102 0.000 0.968 430 E HN 0.543 nan 8.360 nan 0.000 0.451 431 M N 1.412 120.892 119.600 -0.201 0.000 2.108 431 M HA -0.244 4.222 4.480 -0.023 0.000 0.257 431 M C 1.569 177.749 176.300 -0.200 0.000 1.071 431 M CA 2.594 57.745 55.300 -0.250 0.000 1.093 431 M CB -0.711 31.731 32.600 -0.263 0.000 1.345 431 M HN 0.791 nan 8.290 nan 0.000 0.403 432 D N -1.280 119.049 120.400 -0.118 0.000 2.144 432 D HA -0.200 4.426 4.640 -0.023 0.000 0.199 432 D C 1.728 178.074 176.300 0.076 0.000 0.984 432 D CA 1.105 55.081 54.000 -0.039 0.000 0.834 432 D CB -0.155 40.625 40.800 -0.033 0.000 0.955 432 D HN 0.391 nan 8.370 nan 0.000 0.465 433 F N 1.007 120.869 119.950 -0.147 0.000 2.163 433 F HA 0.145 4.660 4.527 -0.021 0.000 0.297 433 F C 2.187 177.909 175.800 -0.129 0.000 1.094 433 F CA 1.095 59.062 58.000 -0.055 0.000 1.290 433 F CB -0.904 38.069 39.000 -0.045 0.000 1.017 433 F HN 0.031 nan 8.300 nan 0.000 0.483 434 A N -0.375 122.171 122.820 -0.455 0.000 2.015 434 A HA -0.174 4.132 4.320 -0.023 0.000 0.219 434 A C 2.254 179.757 177.584 -0.136 0.000 1.163 434 A CA 1.509 53.202 52.037 -0.573 0.000 0.646 434 A CB -0.778 17.834 19.000 -0.647 0.000 0.806 434 A HN 0.408 nan 8.150 nan 0.000 0.448 435 E N 0.378 120.568 120.200 -0.017 0.000 2.110 435 E HA -0.144 4.192 4.350 -0.023 0.000 0.193 435 E C 1.903 178.555 176.600 0.086 0.000 0.988 435 E CA 0.968 57.420 56.400 0.087 0.000 0.804 435 E CB -0.232 29.505 29.700 0.061 0.000 0.745 435 E HN 0.668 nan 8.360 nan 0.000 0.458 436 L N 0.497 121.801 121.223 0.136 0.000 2.093 436 L HA -0.189 4.137 4.340 -0.023 0.000 0.208 436 L C 2.751 179.747 176.870 0.209 0.000 1.085 436 L CA 0.620 55.604 54.840 0.240 0.000 0.755 436 L CB -0.408 41.903 42.059 0.420 0.000 0.904 436 L HN 0.197 nan 8.230 nan 0.000 0.435 437 L N -0.305 120.890 121.223 -0.047 0.000 2.056 437 L HA -0.200 4.126 4.340 -0.023 0.000 0.207 437 L C 2.273 179.021 176.870 -0.203 0.000 1.078 437 L CA 1.531 56.056 54.840 -0.524 0.000 0.749 437 L CB -0.417 41.078 42.059 -0.939 0.000 0.901 437 L HN 0.115 nan 8.230 nan 0.000 0.433 438 L N -0.593 120.570 121.223 -0.101 0.000 2.012 438 L HA -0.250 4.076 4.340 -0.023 0.000 0.210 438 L C 2.530 179.430 176.870 0.049 0.000 1.073 438 L CA 1.829 56.638 54.840 -0.051 0.000 0.748 438 L CB -0.301 41.723 42.059 -0.059 0.000 0.891 438 L HN 0.433 nan 8.230 nan 0.000 0.431 439 E N -0.386 119.856 120.200 0.070 0.000 2.085 439 E HA -0.251 4.084 4.350 -0.023 0.000 0.194 439 E C 1.642 178.309 176.600 0.112 0.000 0.994 439 E CA 1.404 57.861 56.400 0.095 0.000 0.801 439 E CB -0.109 29.655 29.700 0.107 0.000 0.743 439 E HN 0.560 nan 8.360 nan 0.000 0.453 440 D N -0.202 120.277 120.400 0.131 0.000 2.224 440 D HA -0.125 4.501 4.640 -0.023 0.000 0.205 440 D C 1.604 177.951 176.300 0.079 0.000 0.965 440 D CA 0.693 54.775 54.000 0.135 0.000 0.852 440 D CB -0.120 40.833 40.800 0.256 0.000 0.947 440 D HN 0.198 nan 8.370 nan 0.000 0.494 441 Y N 1.885 122.154 120.300 -0.051 0.000 2.184 441 Y HA -0.117 4.419 4.550 -0.024 0.000 0.290 441 Y C 2.127 178.010 175.900 -0.028 0.000 1.129 441 Y CA 1.425 59.487 58.100 -0.062 0.000 1.144 441 Y CB 0.151 38.555 38.460 -0.094 0.000 0.995 441 Y HN -0.198 nan 8.280 nan 0.000 0.513 442 K N -0.296 120.235 120.400 0.218 0.000 2.057 442 K HA -0.161 4.145 4.320 -0.023 0.000 0.207 442 K C 2.304 178.945 176.600 0.069 0.000 1.049 442 K CA 1.173 57.547 56.287 0.145 0.000 0.931 442 K CB -0.368 32.199 32.500 0.112 0.000 0.714 442 K HN 0.365 nan 8.250 nan 0.000 0.440 443 A N 1.031 123.885 122.820 0.058 0.000 1.898 443 A HA -0.142 4.164 4.320 -0.023 0.000 0.216 443 A C 2.231 179.828 177.584 0.022 0.000 1.181 443 A CA 1.759 53.824 52.037 0.047 0.000 0.620 443 A CB -0.524 18.505 19.000 0.049 0.000 0.819 443 A HN 0.162 nan 8.150 nan 0.000 0.442 444 S N -0.080 115.593 115.700 -0.045 0.000 2.368 444 S HA -0.103 4.353 4.470 -0.023 0.000 0.225 444 S C 1.819 176.352 174.600 -0.112 0.000 1.030 444 S CA 1.476 59.615 58.200 -0.103 0.000 0.999 444 S CB -0.450 62.616 63.200 -0.223 0.000 0.844 444 S HN 0.512 nan 8.310 nan 0.000 0.459 445 L N 1.164 122.284 121.223 -0.173 0.000 2.093 445 L HA -0.096 4.230 4.340 -0.023 0.000 0.208 445 L C 2.585 179.440 176.870 -0.026 0.000 1.085 445 L CA 1.191 55.927 54.840 -0.174 0.000 0.755 445 L CB -0.422 41.582 42.059 -0.092 0.000 0.904 445 L HN 0.275 nan 8.230 nan 0.000 0.435 446 K N -0.390 120.029 120.400 0.032 0.000 2.057 446 K HA -0.250 4.056 4.320 -0.023 0.000 0.207 446 K C 2.295 178.953 176.600 0.097 0.000 1.049 446 K CA 1.535 57.863 56.287 0.067 0.000 0.931 446 K CB -0.207 32.340 32.500 0.077 0.000 0.714 446 K HN 0.138 nan 8.250 nan 0.000 0.440 447 Y N 1.618 121.911 120.300 -0.011 0.000 2.114 447 Y HA -0.202 4.334 4.550 -0.023 0.000 0.284 447 Y C 1.824 177.746 175.900 0.037 0.000 1.143 447 Y CA 1.615 59.704 58.100 -0.017 0.000 1.135 447 Y CB -0.296 38.086 38.460 -0.130 0.000 0.980 447 Y HN -0.008 nan 8.280 nan 0.000 0.499 448 L N -0.699 120.563 121.223 0.064 0.000 2.127 448 L HA -0.259 4.067 4.340 -0.023 0.000 0.211 448 L C 2.791 179.689 176.870 0.046 0.000 1.089 448 L CA 1.638 56.496 54.840 0.030 0.000 0.757 448 L CB -0.783 41.257 42.059 -0.032 0.000 0.899 448 L HN 0.284 nan 8.230 nan 0.000 0.434 449 S N -0.367 115.361 115.700 0.048 0.000 2.371 449 S HA -0.157 4.299 4.470 -0.023 0.000 0.224 449 S C 1.461 176.068 174.600 0.013 0.000 1.029 449 S CA 1.236 59.469 58.200 0.056 0.000 0.978 449 S CB -0.125 63.110 63.200 0.057 0.000 0.833 449 S HN 0.414 nan 8.310 nan 0.000 0.466 450 D N 0.280 120.689 120.400 0.014 0.000 2.363 450 D HA 0.070 4.696 4.640 -0.023 0.000 0.226 450 D C -0.369 175.770 176.300 -0.268 0.000 1.020 450 D CA 0.539 54.508 54.000 -0.052 0.000 0.892 450 D CB -0.036 40.779 40.800 0.025 0.000 0.900 450 D HN 0.531 nan 8.370 nan 0.000 0.531 451 H N -0.753 118.151 119.070 -0.276 0.000 2.600 451 H HA 0.279 4.821 4.556 -0.023 0.000 0.224 451 H C -2.232 173.022 175.328 -0.124 0.000 1.413 451 H CA -1.304 54.585 56.048 -0.265 0.000 1.401 451 H CB 0.346 29.792 29.762 -0.526 0.000 1.772 451 H HN -0.051 nan 8.280 nan 0.000 0.528 452 P HA 0.000 nan 4.420 nan 0.000 0.216 452 P CA 0.000 63.116 63.100 0.027 0.000 0.800 452 P CB 0.000 31.702 31.700 0.003 0.000 0.726