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 1r27_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKIRSQVGMV LNLDKCIGCH TCSVTCKNVW TSREGVEYAW FNNVETKPGQ DATA SEQUENCE GFPTDWENQE KYKGGWIRKI NGKLQPRMGN RAMLLGKIFA NPHLPGIDDY DATA SEQUENCE YEPFDFDYQN LHTAPEGSKS QPIARPRSLI TGERMAKIEK GPNWEDDLGG DATA SEQUENCE EFDKLAKDKN FDNIQKAMYS QFENTFMMYL PRLCEHCLNP ACVATCPSGA DATA SEQUENCE IYKREEDGIV LIDQDKCRGW RMCITGCPYK KIYFNWKSGK SEKCIFCYPR DATA SEQUENCE IEAGQPTVCS ETCVGRIRYL GVLLYDADAI ERAASTENEK DLYQRQLDVF DATA SEQUENCE LDPNDPKVIE QAIKDGIPLS VIEAAQQSPV YKMAMEWKLA LPLHPEYRTL DATA SEQUENCE PMVWYVPPLS PIQSAADAGE LGSNGILPDV ESLRIPVQYL ANLLTAGDTK DATA SEQUENCE PVLRALKRML AMRHYKRAET VDGKVDTRAL EEVGLTEAQA QEMYRYLAIA DATA SEQUENCE NYEDRFVVPS SHREL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.282 176.300 -0.030 0.000 1.140 1 M CA 0.000 55.288 55.300 -0.019 0.000 0.988 1 M CB 0.000 32.589 32.600 -0.019 0.000 1.302 2 K N 5.422 125.797 120.400 -0.043 0.000 2.668 2 K HA 0.507 4.827 4.320 -0.000 0.000 0.246 2 K C -1.537 174.992 176.600 -0.119 0.000 0.976 2 K CA -0.422 55.826 56.287 -0.065 0.000 0.902 2 K CB 1.033 33.503 32.500 -0.051 0.000 1.172 2 K HN 0.622 nan 8.250 nan 0.000 0.452 3 I N 4.748 125.243 120.570 -0.126 0.000 2.471 3 I HA 0.340 4.510 4.170 -0.000 0.000 0.286 3 I C 0.527 176.487 176.117 -0.261 0.000 1.079 3 I CA -0.155 61.033 61.300 -0.187 0.000 1.398 3 I CB 0.450 38.377 38.000 -0.121 0.000 1.403 3 I HN 0.503 nan 8.210 nan 0.000 0.530 4 R N 3.912 124.114 120.500 -0.496 0.000 2.892 4 R HA 0.655 4.995 4.340 -0.000 0.000 0.265 4 R C -0.499 175.547 176.300 -0.424 0.000 1.025 4 R CA -0.711 55.086 56.100 -0.506 0.000 0.982 4 R CB 2.349 32.221 30.300 -0.713 0.000 1.185 4 R HN 0.740 nan 8.270 nan 0.000 0.484 5 S N 0.020 115.634 115.700 -0.142 0.000 2.542 5 S HA 0.575 5.045 4.470 -0.000 0.000 0.293 5 S C -0.740 173.930 174.600 0.117 0.000 1.089 5 S CA -0.794 57.411 58.200 0.009 0.000 0.961 5 S CB 2.795 65.990 63.200 -0.008 0.000 1.062 5 S HN 0.577 nan 8.310 nan 0.000 0.483 6 Q N 1.173 121.054 119.800 0.134 0.000 2.391 6 Q HA 0.528 4.868 4.340 -0.000 0.000 0.279 6 Q C -2.046 173.943 176.000 -0.018 0.000 1.028 6 Q CA -0.862 54.977 55.803 0.060 0.000 0.836 6 Q CB 2.173 30.959 28.738 0.079 0.000 1.414 6 Q HN 0.685 nan 8.270 nan 0.000 0.397 7 V N 3.199 123.084 119.914 -0.048 0.000 2.372 7 V HA 0.446 4.565 4.120 -0.000 0.000 0.261 7 V C 0.742 176.797 176.094 -0.065 0.000 1.055 7 V CA 0.203 62.505 62.300 0.004 0.000 0.930 7 V CB 0.386 32.303 31.823 0.158 0.000 1.031 7 V HN 0.770 nan 8.190 nan 0.000 0.479 8 G N 4.384 113.130 108.800 -0.090 0.000 2.562 8 G HA2 0.584 4.544 3.960 -0.000 0.000 0.275 8 G HA3 0.584 4.544 3.960 -0.000 0.000 0.275 8 G C -0.632 174.283 174.900 0.026 0.000 1.196 8 G CA -0.553 44.470 45.100 -0.129 0.000 0.908 8 G HN 0.603 nan 8.290 nan 0.000 0.524 9 M N 0.671 120.299 119.600 0.047 0.000 2.386 9 M HA 0.579 5.059 4.480 -0.000 0.000 0.293 9 M C -1.713 174.625 176.300 0.064 0.000 1.120 9 M CA -0.684 54.697 55.300 0.136 0.000 0.909 9 M CB 2.360 35.112 32.600 0.253 0.000 1.661 9 M HN 0.275 nan 8.290 nan 0.000 0.452 10 V N 5.471 125.449 119.914 0.106 0.000 2.588 10 V HA 0.517 4.637 4.120 -0.000 0.000 0.304 10 V C -0.746 175.427 176.094 0.132 0.000 1.042 10 V CA -0.784 61.566 62.300 0.083 0.000 0.877 10 V CB 2.092 33.966 31.823 0.085 0.000 0.996 10 V HN 0.715 nan 8.190 nan 0.000 0.425 11 L N 4.186 125.406 121.223 -0.006 0.000 2.287 11 L HA 0.484 4.824 4.340 -0.000 0.000 0.287 11 L C 0.020 177.010 176.870 0.200 0.000 1.022 11 L CA -0.349 54.549 54.840 0.096 0.000 0.814 11 L CB 1.599 43.669 42.059 0.018 0.000 1.217 11 L HN 0.628 nan 8.230 nan 0.000 0.420 12 N N 4.148 122.999 118.700 0.251 0.000 2.482 12 N HA 0.143 4.883 4.740 -0.000 0.000 0.242 12 N C 0.868 176.509 175.510 0.218 0.000 1.100 12 N CA -0.134 53.050 53.050 0.224 0.000 0.946 12 N CB 0.729 39.357 38.487 0.235 0.000 1.227 12 N HN 0.597 nan 8.380 nan 0.000 0.508 13 L N 1.448 122.813 121.223 0.236 0.000 2.456 13 L HA -0.080 4.260 4.340 -0.000 0.000 0.224 13 L C 1.414 178.388 176.870 0.173 0.000 1.148 13 L CA 0.595 55.568 54.840 0.223 0.000 0.825 13 L CB -0.175 42.016 42.059 0.221 0.000 0.937 13 L HN 0.459 nan 8.230 nan 0.000 0.450 14 D N 0.407 120.895 120.400 0.147 0.000 2.224 14 D HA -0.136 4.504 4.640 -0.000 0.000 0.205 14 D C 1.953 178.327 176.300 0.122 0.000 0.965 14 D CA 1.080 55.151 54.000 0.118 0.000 0.852 14 D CB 0.294 41.152 40.800 0.097 0.000 0.947 14 D HN 0.129 nan 8.370 nan 0.000 0.494 15 K N -0.652 119.828 120.400 0.133 0.000 2.353 15 K HA 0.122 4.442 4.320 -0.000 0.000 0.195 15 K C 0.188 176.857 176.600 0.116 0.000 1.031 15 K CA -0.243 56.115 56.287 0.118 0.000 1.079 15 K CB 0.331 32.901 32.500 0.117 0.000 0.857 15 K HN 0.130 nan 8.250 nan 0.000 0.535 16 C N 2.484 121.871 119.300 0.144 0.000 2.653 16 C HA 0.126 4.586 4.460 -0.000 0.000 0.421 16 C C 1.762 176.814 174.990 0.104 0.000 1.334 16 C CA -0.429 58.663 59.018 0.124 0.000 1.885 16 C CB -0.698 27.148 27.740 0.176 0.000 2.645 16 C HN 0.517 nan 8.230 nan 0.000 0.601 17 I N 3.329 123.885 120.570 -0.023 0.000 4.025 17 I HA 0.350 4.520 4.170 -0.000 0.000 0.336 17 I C 1.297 177.130 176.117 -0.474 0.000 1.390 17 I CA 0.436 61.675 61.300 -0.102 0.000 1.099 17 I CB -0.722 37.253 38.000 -0.041 0.000 1.049 17 I HN 0.851 nan 8.210 nan 0.000 0.394 18 G N 2.775 111.168 108.800 -0.678 0.000 2.356 18 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.296 18 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.296 18 G C 0.806 175.464 174.900 -0.404 0.000 1.022 18 G CA 0.525 45.022 45.100 -1.004 0.000 0.961 18 G HN 0.838 nan 8.290 nan 0.000 0.510 19 C N -3.258 115.928 119.300 -0.190 0.000 2.495 19 C HA 0.304 4.764 4.460 -0.000 0.000 0.275 19 C C 1.699 176.780 174.990 0.152 0.000 1.392 19 C CA 0.848 59.862 59.018 -0.006 0.000 1.766 19 C CB -0.776 26.954 27.740 -0.017 0.000 1.933 19 C HN 0.901 nan 8.230 nan 0.000 0.519 20 H N -0.229 118.801 119.070 -0.066 0.000 3.237 20 H HA -0.177 4.379 4.556 -0.000 0.000 0.231 20 H C 1.304 176.642 175.328 0.017 0.000 1.148 20 H CA 1.199 57.233 56.048 -0.024 0.000 1.155 20 H CB -2.099 27.628 29.762 -0.059 0.000 1.210 20 H HN 0.607 nan 8.280 nan 0.000 0.317 21 T N 0.166 114.776 114.554 0.092 0.000 2.720 21 T HA -0.212 4.138 4.350 -0.000 0.000 0.268 21 T C 2.375 177.125 174.700 0.084 0.000 1.037 21 T CA 1.852 63.998 62.100 0.076 0.000 1.144 21 T CB -0.603 68.291 68.868 0.045 0.000 0.864 21 T HN 0.776 nan 8.240 nan 0.000 0.444 22 C N 1.666 121.011 119.300 0.075 0.000 2.403 22 C HA -0.070 4.390 4.460 -0.000 0.000 0.277 22 C C 2.938 178.010 174.990 0.137 0.000 1.248 22 C CA 0.599 59.669 59.018 0.087 0.000 1.762 22 C CB -1.619 26.167 27.740 0.077 0.000 2.014 22 C HN 0.400 nan 8.230 nan 0.000 0.486 23 S N 1.266 117.076 115.700 0.182 0.000 2.387 23 S HA -0.045 4.425 4.470 -0.000 0.000 0.226 23 S C 1.970 176.776 174.600 0.343 0.000 1.026 23 S CA 1.414 59.800 58.200 0.311 0.000 0.972 23 S CB -0.343 63.067 63.200 0.350 0.000 0.814 23 S HN 0.604 nan 8.310 nan 0.000 0.477 24 V N 2.537 122.605 119.914 0.256 0.000 2.307 24 V HA -0.168 3.952 4.120 -0.000 0.000 0.245 24 V C 2.936 179.068 176.094 0.063 0.000 1.045 24 V CA 2.075 64.488 62.300 0.189 0.000 1.024 24 V CB -1.592 30.312 31.823 0.135 0.000 0.651 24 V HN 0.730 nan 8.190 nan 0.000 0.449 25 T N -2.375 112.206 114.554 0.045 0.000 2.788 25 T HA -0.284 4.065 4.350 -0.000 0.000 0.268 25 T C 2.009 176.683 174.700 -0.043 0.000 1.044 25 T CA 1.649 63.738 62.100 -0.018 0.000 1.139 25 T CB -1.141 67.719 68.868 -0.014 0.000 0.867 25 T HN 0.483 nan 8.240 nan 0.000 0.454 26 C N 1.702 121.026 119.300 0.040 0.000 2.432 26 C HA 0.063 4.523 4.460 -0.000 0.000 0.277 26 C C 2.836 177.801 174.990 -0.042 0.000 1.249 26 C CA 1.363 60.443 59.018 0.104 0.000 1.725 26 C CB -1.162 26.706 27.740 0.212 0.000 2.028 26 C HN 0.751 nan 8.230 nan 0.000 0.477 27 K N 1.149 121.469 120.400 -0.133 0.000 2.032 27 K HA -0.151 4.169 4.320 -0.000 0.000 0.209 27 K C 1.892 178.320 176.600 -0.287 0.000 1.048 27 K CA 2.368 58.451 56.287 -0.340 0.000 0.927 27 K CB -0.413 31.796 32.500 -0.485 0.000 0.712 27 K HN 0.499 nan 8.250 nan 0.000 0.441 28 N N 0.123 118.696 118.700 -0.212 0.000 2.069 28 N HA -0.156 4.584 4.740 -0.000 0.000 0.191 28 N C 1.760 177.095 175.510 -0.290 0.000 1.031 28 N CA 1.763 54.685 53.050 -0.212 0.000 0.852 28 N CB -0.404 37.986 38.487 -0.163 0.000 1.018 28 N HN 0.085 nan 8.380 nan 0.000 0.423 29 V N -0.911 118.764 119.914 -0.398 0.000 2.283 29 V HA -0.129 3.991 4.120 -0.000 0.000 0.243 29 V C 1.633 177.321 176.094 -0.677 0.000 1.039 29 V CA 1.416 63.301 62.300 -0.690 0.000 1.016 29 V CB -0.552 30.596 31.823 -1.125 0.000 0.650 29 V HN 0.366 nan 8.190 nan 0.000 0.449 30 W N 0.125 121.322 121.300 -0.172 0.000 2.907 30 W HA 0.144 4.804 4.660 -0.000 0.000 0.271 30 W C 1.534 177.855 176.519 -0.330 0.000 1.253 30 W CA 0.784 58.019 57.345 -0.185 0.000 1.501 30 W CB -0.041 29.377 29.460 -0.070 0.000 1.047 30 W HN 0.284 nan 8.180 nan 0.000 0.610 31 T N -4.035 110.351 114.554 -0.281 0.000 3.380 31 T HA 0.260 4.610 4.350 -0.000 0.000 0.289 31 T C 0.178 174.638 174.700 -0.399 0.000 1.012 31 T CA -0.364 61.461 62.100 -0.459 0.000 0.944 31 T CB -0.104 68.260 68.868 -0.840 0.000 1.172 31 T HN -0.229 nan 8.240 nan 0.000 0.502 32 S N 2.207 117.734 115.700 -0.287 0.000 3.266 32 S HA 0.418 4.888 4.470 -0.000 0.000 0.209 32 S C 0.059 174.547 174.600 -0.188 0.000 1.409 32 S CA -0.706 57.350 58.200 -0.240 0.000 1.179 32 S CB -0.136 62.943 63.200 -0.202 0.000 1.218 32 S HN 0.483 nan 8.310 nan 0.000 0.514 33 R N 0.984 121.360 120.500 -0.206 0.000 2.725 33 R HA 0.304 4.644 4.340 -0.000 0.000 0.277 33 R C -0.682 175.496 176.300 -0.203 0.000 0.987 33 R CA -0.824 55.167 56.100 -0.182 0.000 0.901 33 R CB 1.699 31.890 30.300 -0.181 0.000 1.207 33 R HN 0.346 nan 8.270 nan 0.000 0.463 34 E N 0.632 120.716 120.200 -0.194 0.000 2.417 34 E HA 0.128 4.478 4.350 -0.000 0.000 0.261 34 E C 0.528 176.806 176.600 -0.537 0.000 1.000 34 E CA 1.382 57.636 56.400 -0.243 0.000 0.919 34 E CB 0.378 29.960 29.700 -0.198 0.000 0.955 34 E HN 0.771 nan 8.360 nan 0.000 0.455 35 G N 2.491 110.820 108.800 -0.785 0.000 2.436 35 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.204 35 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.204 35 G C 0.549 175.158 174.900 -0.486 0.000 1.026 35 G CA 0.065 44.416 45.100 -1.248 0.000 0.658 35 G HN 1.029 nan 8.290 nan 0.000 0.499 36 V N -0.600 119.148 119.914 -0.278 0.000 3.078 36 V HA 0.481 4.601 4.120 -0.000 0.000 0.344 36 V C 1.781 177.680 176.094 -0.325 0.000 1.409 36 V CA 1.025 63.155 62.300 -0.285 0.000 1.146 36 V CB 0.712 32.321 31.823 -0.357 0.000 1.126 36 V HN 0.463 nan 8.190 nan 0.000 0.513 37 E N 2.302 122.439 120.200 -0.105 0.000 2.153 37 E HA -0.274 4.076 4.350 -0.000 0.000 0.194 37 E C 1.819 178.352 176.600 -0.111 0.000 0.988 37 E CA 2.195 58.518 56.400 -0.128 0.000 0.811 37 E CB -0.812 28.902 29.700 0.023 0.000 0.746 37 E HN 0.897 nan 8.360 nan 0.000 0.466 38 Y N 0.793 121.047 120.300 -0.077 0.000 2.544 38 Y HA 0.542 5.092 4.550 -0.000 0.000 0.286 38 Y C 0.945 176.947 175.900 0.169 0.000 1.141 38 Y CA -0.078 58.030 58.100 0.014 0.000 1.299 38 Y CB -0.025 38.305 38.460 -0.218 0.000 1.030 38 Y HN 0.055 nan 8.280 nan 0.000 0.543 39 A N 0.591 122.839 122.820 -0.953 0.000 2.301 39 A HA 0.438 4.758 4.320 -0.000 0.000 0.298 39 A C -1.683 175.358 177.584 -0.904 0.000 1.185 39 A CA -0.475 50.896 52.037 -1.109 0.000 0.830 39 A CB -0.153 18.059 19.000 -1.313 0.000 1.112 39 A HN 0.508 nan 8.150 nan 0.000 0.508 40 W N 3.489 124.517 121.300 -0.454 0.000 2.443 40 W HA 0.433 5.093 4.660 -0.000 0.000 0.303 40 W C 0.463 177.036 176.519 0.090 0.000 0.991 40 W CA -0.766 56.485 57.345 -0.157 0.000 1.522 40 W CB 0.189 29.623 29.460 -0.044 0.000 1.315 40 W HN 0.819 nan 8.180 nan 0.000 0.419 41 F N 1.070 121.045 119.950 0.041 0.000 2.147 41 F HA -0.295 4.232 4.527 -0.000 0.000 0.301 41 F C 1.298 177.252 175.800 0.257 0.000 1.084 41 F CA 0.930 59.040 58.000 0.183 0.000 1.268 41 F CB -0.091 38.975 39.000 0.111 0.000 1.009 41 F HN 0.191 nan 8.300 nan 0.000 0.486 42 N N 0.671 119.638 118.700 0.444 0.000 2.372 42 N HA 0.157 4.897 4.740 -0.000 0.000 0.285 42 N C -1.292 174.434 175.510 0.359 0.000 1.008 42 N CA -0.673 52.585 53.050 0.345 0.000 0.880 42 N CB 0.756 39.407 38.487 0.273 0.000 1.239 42 N HN 0.080 nan 8.380 nan 0.000 0.484 43 N N 1.918 120.797 118.700 0.299 0.000 2.329 43 N HA 0.391 5.131 4.740 -0.000 0.000 0.282 43 N C -1.843 173.746 175.510 0.131 0.000 1.198 43 N CA -0.581 52.597 53.050 0.215 0.000 0.790 43 N CB 1.764 40.402 38.487 0.252 0.000 1.579 43 N HN 0.141 nan 8.380 nan 0.000 0.475 44 V N 0.595 120.525 119.914 0.027 0.000 2.495 44 V HA 0.444 4.564 4.120 -0.000 0.000 0.298 44 V C -0.366 175.800 176.094 0.120 0.000 1.031 44 V CA -0.657 61.615 62.300 -0.047 0.000 0.871 44 V CB 1.359 32.850 31.823 -0.553 0.000 0.988 44 V HN 0.697 nan 8.190 nan 0.000 0.432 45 E N 1.922 122.244 120.200 0.202 0.000 2.222 45 E HA 0.528 4.878 4.350 -0.000 0.000 0.267 45 E C -0.896 175.861 176.600 0.262 0.000 0.884 45 E CA -0.745 55.813 56.400 0.263 0.000 0.764 45 E CB 2.203 32.097 29.700 0.324 0.000 1.169 45 E HN 0.584 nan 8.360 nan 0.000 0.413 46 T N 2.954 117.651 114.554 0.238 0.000 2.889 46 T HA 0.261 4.611 4.350 -0.000 0.000 0.291 46 T C -0.172 174.561 174.700 0.055 0.000 0.995 46 T CA -0.585 61.585 62.100 0.117 0.000 1.092 46 T CB 0.544 69.471 68.868 0.098 0.000 0.954 46 T HN 0.091 nan 8.240 nan 0.000 0.506 47 K N 3.157 123.539 120.400 -0.030 0.000 2.316 47 K HA 0.474 4.794 4.320 -0.000 0.000 0.251 47 K C -2.777 173.718 176.600 -0.175 0.000 0.934 47 K CA -2.670 53.609 56.287 -0.014 0.000 0.802 47 K CB 1.720 34.288 32.500 0.113 0.000 1.171 47 K HN 0.252 nan 8.250 nan 0.000 0.426 48 P HA 0.269 nan 4.420 nan 0.000 0.271 48 P C -0.329 176.925 177.300 -0.077 0.000 1.216 48 P CA -0.025 62.954 63.100 -0.202 0.000 0.776 48 P CB 0.755 32.274 31.700 -0.302 0.000 0.881 49 G N 1.309 110.121 108.800 0.020 0.000 2.356 49 G HA2 0.124 4.084 3.960 -0.000 0.000 0.294 49 G HA3 0.124 4.084 3.960 -0.000 0.000 0.294 49 G C -0.493 174.465 174.900 0.097 0.000 1.423 49 G CA -0.469 44.667 45.100 0.060 0.000 0.806 49 G HN 0.355 nan 8.290 nan 0.000 0.527 50 Q N -0.573 119.301 119.800 0.124 0.000 2.384 50 Q HA 0.358 4.698 4.340 -0.000 0.000 0.207 50 Q C 1.417 177.558 176.000 0.236 0.000 0.904 50 Q CA 0.567 56.441 55.803 0.120 0.000 0.933 50 Q CB 0.910 29.715 28.738 0.111 0.000 1.077 50 Q HN 1.663 nan 8.270 nan 0.000 0.522 51 G N 1.942 110.946 108.800 0.339 0.000 2.593 51 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.237 51 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.237 51 G C -1.025 174.227 174.900 0.587 0.000 1.312 51 G CA -0.242 45.179 45.100 0.536 0.000 0.896 51 G HN 0.270 nan 8.290 nan 0.000 0.574 52 F N 3.014 123.214 119.950 0.415 0.000 2.612 52 F HA 0.640 5.167 4.527 -0.000 0.000 0.332 52 F C -2.032 173.890 175.800 0.204 0.000 1.167 52 F CA -1.920 56.266 58.000 0.310 0.000 0.970 52 F CB 2.187 41.364 39.000 0.295 0.000 1.234 52 F HN 0.521 nan 8.300 nan 0.000 0.453 53 P HA 0.093 nan 4.420 nan 0.000 0.272 53 P C -0.514 176.857 177.300 0.117 0.000 1.240 53 P CA -0.144 62.751 63.100 -0.341 0.000 0.791 53 P CB 0.674 31.849 31.700 -0.874 0.000 0.978 54 T N 1.762 116.415 114.554 0.164 0.000 2.822 54 T HA -0.051 4.299 4.350 -0.000 0.000 0.288 54 T C 0.620 175.483 174.700 0.271 0.000 0.991 54 T CA 1.145 63.386 62.100 0.235 0.000 1.176 54 T CB -0.924 68.049 68.868 0.176 0.000 0.951 54 T HN 0.667 nan 8.240 nan 0.000 0.526 55 D N 1.320 121.848 120.400 0.213 0.000 2.981 55 D HA -0.150 4.490 4.640 -0.000 0.000 0.223 55 D C 1.074 177.479 176.300 0.175 0.000 1.151 55 D CA 0.950 55.021 54.000 0.119 0.000 0.827 55 D CB -1.031 39.834 40.800 0.108 0.000 1.101 55 D HN 0.865 nan 8.370 nan 0.000 0.426 56 W N -0.026 121.326 121.300 0.087 0.000 2.341 56 W HA -0.136 4.524 4.660 -0.000 0.000 0.283 56 W C 1.215 177.700 176.519 -0.057 0.000 1.215 56 W CA 1.176 58.448 57.345 -0.121 0.000 1.211 56 W CB -0.911 28.438 29.460 -0.185 0.000 1.131 56 W HN 0.258 nan 8.180 nan 0.000 0.552 57 E N 0.778 120.501 120.200 -0.794 0.000 2.482 57 E HA -0.099 4.251 4.350 -0.000 0.000 0.196 57 E C 0.419 176.818 176.600 -0.334 0.000 1.047 57 E CA 0.105 56.045 56.400 -0.767 0.000 0.869 57 E CB -0.315 28.776 29.700 -1.015 0.000 0.836 57 E HN 0.306 nan 8.360 nan 0.000 0.520 58 N N 1.467 120.073 118.700 -0.158 0.000 2.508 58 N HA -0.038 4.702 4.740 -0.000 0.000 0.253 58 N C 0.832 176.312 175.510 -0.049 0.000 1.145 58 N CA -0.384 52.614 53.050 -0.087 0.000 0.973 58 N CB 0.336 38.787 38.487 -0.061 0.000 1.305 58 N HN -0.026 nan 8.380 nan 0.000 0.506 59 Q N 1.440 121.172 119.800 -0.113 0.000 2.297 59 Q HA -0.114 4.226 4.340 -0.000 0.000 0.204 59 Q C 0.966 176.890 176.000 -0.126 0.000 0.962 59 Q CA 1.080 56.801 55.803 -0.136 0.000 0.879 59 Q CB 0.106 28.726 28.738 -0.197 0.000 0.947 59 Q HN 0.645 nan 8.270 nan 0.000 0.462 60 E N 0.771 120.904 120.200 -0.111 0.000 2.150 60 E HA -0.122 4.228 4.350 -0.000 0.000 0.193 60 E C 1.769 178.275 176.600 -0.156 0.000 0.985 60 E CA 0.993 57.322 56.400 -0.118 0.000 0.814 60 E CB 0.020 29.668 29.700 -0.086 0.000 0.752 60 E HN 0.294 nan 8.360 nan 0.000 0.466 61 K N -0.813 119.484 120.400 -0.172 0.000 2.067 61 K HA -0.050 4.270 4.320 -0.000 0.000 0.203 61 K C 1.337 177.736 176.600 -0.335 0.000 1.048 61 K CA 0.888 57.014 56.287 -0.268 0.000 0.954 61 K CB -0.052 32.228 32.500 -0.367 0.000 0.737 61 K HN 0.181 nan 8.250 nan 0.000 0.444 62 Y N 0.832 121.052 120.300 -0.133 0.000 2.500 62 Y HA 0.131 4.681 4.550 -0.000 0.000 0.270 62 Y C 0.066 175.838 175.900 -0.214 0.000 1.134 62 Y CA -0.085 57.937 58.100 -0.130 0.000 1.293 62 Y CB 0.760 39.159 38.460 -0.103 0.000 1.063 62 Y HN -0.030 nan 8.280 nan 0.000 0.534 63 K N -0.145 120.163 120.400 -0.154 0.000 3.192 63 K HA -0.145 4.175 4.320 -0.000 0.000 0.278 63 K C 0.151 176.641 176.600 -0.183 0.000 1.164 63 K CA 0.766 56.917 56.287 -0.227 0.000 0.816 63 K CB -2.089 30.191 32.500 -0.366 0.000 1.256 63 K HN 0.478 nan 8.250 nan 0.000 0.497 64 G N -0.535 108.148 108.800 -0.195 0.000 2.502 64 G HA2 0.667 4.627 3.960 -0.000 0.000 0.305 64 G HA3 0.667 4.627 3.960 -0.000 0.000 0.305 64 G C 0.673 175.376 174.900 -0.329 0.000 1.190 64 G CA 0.726 45.666 45.100 -0.266 0.000 0.933 64 G HN 0.785 nan 8.290 nan 0.000 0.503 65 G N -1.065 107.528 108.800 -0.345 0.000 2.660 65 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.215 65 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.215 65 G C -0.581 174.175 174.900 -0.240 0.000 1.345 65 G CA -0.077 44.866 45.100 -0.261 0.000 0.877 65 G HN 0.862 nan 8.290 nan 0.000 0.549 66 W N -0.221 121.075 121.300 -0.007 0.000 2.655 66 W HA 0.761 5.421 4.660 -0.000 0.000 0.358 66 W C 0.744 177.269 176.519 0.010 0.000 1.100 66 W CA -0.479 56.871 57.345 0.009 0.000 1.195 66 W CB 1.238 30.718 29.460 0.032 0.000 1.403 66 W HN 0.686 nan 8.180 nan 0.000 0.589 67 I N -0.657 120.084 120.570 0.284 0.000 2.828 67 I HA 0.665 4.835 4.170 -0.000 0.000 0.302 67 I C -0.726 175.479 176.117 0.147 0.000 1.101 67 I CA -1.664 59.730 61.300 0.158 0.000 1.031 67 I CB 2.280 40.333 38.000 0.088 0.000 1.231 67 I HN 0.426 nan 8.210 nan 0.000 0.427 68 R N 3.836 124.389 120.500 0.089 0.000 2.229 68 R HA 0.434 4.774 4.340 -0.000 0.000 0.332 68 R C -0.685 175.642 176.300 0.045 0.000 0.989 68 R CA -0.593 55.541 56.100 0.057 0.000 0.842 68 R CB 1.077 31.395 30.300 0.031 0.000 1.119 68 R HN 0.688 nan 8.270 nan 0.000 0.456 69 K N 3.365 123.792 120.400 0.045 0.000 2.219 69 K HA 0.005 4.325 4.320 -0.000 0.000 0.258 69 K C 1.135 177.747 176.600 0.021 0.000 1.008 69 K CA -0.376 55.931 56.287 0.034 0.000 0.928 69 K CB 0.658 33.180 32.500 0.037 0.000 0.983 69 K HN 0.487 nan 8.250 nan 0.000 0.484 70 I N 2.580 123.160 120.570 0.017 0.000 2.657 70 I HA -0.256 3.914 4.170 -0.000 0.000 0.261 70 I C 1.486 177.608 176.117 0.009 0.000 1.212 70 I CA 1.410 62.717 61.300 0.011 0.000 1.453 70 I CB -0.503 37.503 38.000 0.009 0.000 1.092 70 I HN 0.624 nan 8.210 nan 0.000 0.452 71 N N 0.328 119.035 118.700 0.011 0.000 2.461 71 N HA 0.076 4.816 4.740 -0.000 0.000 0.188 71 N C 1.500 177.012 175.510 0.004 0.000 1.134 71 N CA 0.892 53.947 53.050 0.008 0.000 0.878 71 N CB -0.235 38.258 38.487 0.010 0.000 0.972 71 N HN 0.383 nan 8.380 nan 0.000 0.456 72 G N -0.317 108.485 108.800 0.004 0.000 2.225 72 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.254 72 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.254 72 G C -0.069 174.826 174.900 -0.009 0.000 0.988 72 G CA 0.204 45.302 45.100 -0.004 0.000 0.625 72 G HN 0.403 nan 8.290 nan 0.000 0.527 73 K N 0.348 120.749 120.400 0.001 0.000 2.118 73 K HA 0.616 4.936 4.320 -0.000 0.000 0.264 73 K C 0.622 177.233 176.600 0.018 0.000 1.000 73 K CA -0.494 55.794 56.287 0.001 0.000 0.929 73 K CB 1.364 33.873 32.500 0.015 0.000 1.021 73 K HN 0.259 nan 8.250 nan 0.000 0.463 74 L N 1.694 122.919 121.223 0.003 0.000 2.357 74 L HA 0.323 4.663 4.340 -0.000 0.000 0.273 74 L C 0.241 177.253 176.870 0.238 0.000 1.080 74 L CA -0.337 54.543 54.840 0.066 0.000 0.803 74 L CB 1.150 43.109 42.059 -0.166 0.000 1.174 74 L HN 0.548 nan 8.230 nan 0.000 0.443 75 Q N 3.408 123.429 119.800 0.369 0.000 2.340 75 Q HA 0.423 4.762 4.340 -0.000 0.000 0.276 75 Q C -2.694 173.473 176.000 0.277 0.000 1.048 75 Q CA -1.800 54.196 55.803 0.322 0.000 0.832 75 Q CB 3.165 31.994 28.738 0.153 0.000 1.373 75 Q HN 0.229 nan 8.270 nan 0.000 0.409 76 P HA -0.016 nan 4.420 nan 0.000 0.265 76 P C -0.166 177.073 177.300 -0.103 0.000 1.193 76 P CA 0.221 63.173 63.100 -0.246 0.000 0.765 76 P CB 0.483 31.981 31.700 -0.337 0.000 0.823 77 R N 4.483 124.911 120.500 -0.119 0.000 2.159 77 R HA -0.161 4.179 4.340 -0.000 0.000 0.237 77 R C 1.645 177.884 176.300 -0.101 0.000 1.131 77 R CA 1.660 57.711 56.100 -0.082 0.000 0.982 77 R CB -0.414 29.824 30.300 -0.103 0.000 0.868 77 R HN 0.537 nan 8.270 nan 0.000 0.453 78 M N -1.642 117.883 119.600 -0.126 0.000 2.659 78 M HA 0.260 4.740 4.480 -0.000 0.000 0.243 78 M C 0.255 176.524 176.300 -0.053 0.000 1.111 78 M CA 0.978 56.220 55.300 -0.098 0.000 1.070 78 M CB 0.688 33.232 32.600 -0.093 0.000 1.525 78 M HN 0.125 nan 8.290 nan 0.000 0.517 79 G N 1.560 110.331 108.800 -0.048 0.000 2.362 79 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.656 79 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.656 79 G C -1.317 173.575 174.900 -0.013 0.000 1.376 79 G CA -0.511 44.577 45.100 -0.021 0.000 0.971 79 G HN 0.772 nan 8.290 nan 0.000 0.636 80 N N -0.675 118.028 118.700 0.004 0.000 2.327 80 N HA 0.310 5.050 4.740 -0.000 0.000 0.257 80 N C 1.509 177.025 175.510 0.009 0.000 1.281 80 N CA -0.057 53.004 53.050 0.017 0.000 0.942 80 N CB 1.162 39.663 38.487 0.023 0.000 1.199 80 N HN 0.735 nan 8.380 nan 0.000 0.532 81 R N -0.105 120.407 120.500 0.020 0.000 2.113 81 R HA -0.261 4.079 4.340 -0.000 0.000 0.244 81 R C 2.126 178.426 176.300 -0.000 0.000 1.142 81 R CA 2.208 58.317 56.100 0.014 0.000 0.953 81 R CB -0.805 29.510 30.300 0.026 0.000 0.860 81 R HN 0.760 nan 8.270 nan 0.000 0.438 82 A N 0.600 123.420 122.820 0.001 0.000 1.851 82 A HA -0.239 4.081 4.320 -0.000 0.000 0.216 82 A C 2.294 179.871 177.584 -0.012 0.000 1.195 82 A CA 1.778 53.811 52.037 -0.007 0.000 0.622 82 A CB -0.694 18.303 19.000 -0.004 0.000 0.831 82 A HN 0.553 nan 8.150 nan 0.000 0.444 83 M N -0.668 118.927 119.600 -0.008 0.000 2.202 83 M HA -0.120 4.360 4.480 -0.000 0.000 0.262 83 M C 1.951 178.243 176.300 -0.013 0.000 1.063 83 M CA 1.413 56.709 55.300 -0.007 0.000 1.097 83 M CB -0.293 32.306 32.600 -0.002 0.000 1.382 83 M HN 0.464 nan 8.290 nan 0.000 0.413 84 L N -0.082 121.129 121.223 -0.021 0.000 1.994 84 L HA -0.254 4.086 4.340 -0.000 0.000 0.208 84 L C 2.307 179.136 176.870 -0.068 0.000 1.071 84 L CA 1.324 56.143 54.840 -0.034 0.000 0.745 84 L CB -0.680 41.362 42.059 -0.028 0.000 0.892 84 L HN 0.365 nan 8.230 nan 0.000 0.431 85 L N -0.510 120.664 121.223 -0.081 0.000 2.187 85 L HA -0.163 4.177 4.340 -0.000 0.000 0.213 85 L C 2.521 179.350 176.870 -0.070 0.000 1.100 85 L CA 1.179 55.932 54.840 -0.145 0.000 0.765 85 L CB -0.940 41.054 42.059 -0.108 0.000 0.904 85 L HN 0.355 nan 8.230 nan 0.000 0.437 86 G N -0.394 108.402 108.800 -0.007 0.000 2.448 86 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.218 86 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.218 86 G C 1.557 176.508 174.900 0.085 0.000 1.135 86 G CA 0.130 45.266 45.100 0.060 0.000 0.784 86 G HN 0.303 nan 8.290 nan 0.000 0.543 87 K N -0.051 120.351 120.400 0.004 0.000 2.525 87 K HA 0.254 4.574 4.320 -0.000 0.000 0.192 87 K C 1.883 178.441 176.600 -0.071 0.000 1.029 87 K CA -0.177 56.106 56.287 -0.007 0.000 1.029 87 K CB 0.012 32.509 32.500 -0.004 0.000 0.814 87 K HN 0.341 nan 8.250 nan 0.000 0.503 88 I N -0.086 120.370 120.570 -0.190 0.000 2.394 88 I HA -0.227 3.943 4.170 -0.000 0.000 0.251 88 I C 1.343 177.186 176.117 -0.456 0.000 1.136 88 I CA 1.415 62.433 61.300 -0.470 0.000 1.425 88 I CB -0.035 37.371 38.000 -0.989 0.000 1.079 88 I HN 0.103 nan 8.210 nan 0.000 0.425 89 F N 0.645 120.517 119.950 -0.130 0.000 2.317 89 F HA 0.302 4.829 4.527 -0.000 0.000 0.290 89 F C 1.112 176.875 175.800 -0.061 0.000 1.075 89 F CA 0.109 58.061 58.000 -0.080 0.000 1.380 89 F CB -0.012 38.941 39.000 -0.079 0.000 1.093 89 F HN -0.156 nan 8.300 nan 0.000 0.524 90 A N 0.487 123.380 122.820 0.123 0.000 2.411 90 A HA 0.531 4.851 4.320 -0.000 0.000 0.285 90 A C -1.234 176.348 177.584 -0.003 0.000 1.129 90 A CA -0.462 51.599 52.037 0.039 0.000 0.736 90 A CB 0.324 19.342 19.000 0.030 0.000 1.186 90 A HN 0.066 nan 8.150 nan 0.000 0.445 91 N N 4.050 122.733 118.700 -0.029 0.000 2.623 91 N HA 0.368 5.108 4.740 -0.000 0.000 0.256 91 N C -1.959 173.496 175.510 -0.091 0.000 1.045 91 N CA -1.767 51.261 53.050 -0.036 0.000 0.863 91 N CB 1.935 40.417 38.487 -0.008 0.000 1.182 91 N HN 0.359 nan 8.380 nan 0.000 0.523 92 P HA 0.029 nan 4.420 nan 0.000 0.245 92 P C 0.084 177.153 177.300 -0.386 0.000 1.212 92 P CA 0.721 63.631 63.100 -0.317 0.000 0.774 92 P CB 0.330 31.785 31.700 -0.407 0.000 0.999 93 H N -0.760 118.302 119.070 -0.014 0.000 2.586 93 H HA 0.249 4.805 4.556 -0.000 0.000 0.273 93 H C 1.028 176.392 175.328 0.060 0.000 0.997 93 H CA -0.355 55.690 56.048 -0.006 0.000 1.177 93 H CB 0.195 29.952 29.762 -0.007 0.000 1.471 93 H HN 0.166 nan 8.280 nan 0.000 0.538 94 L N 3.071 124.367 121.223 0.122 0.000 2.525 94 L HA 0.043 4.383 4.340 -0.000 0.000 0.278 94 L C -1.790 175.184 176.870 0.174 0.000 1.218 94 L CA -1.465 53.453 54.840 0.130 0.000 0.878 94 L CB -0.047 42.042 42.059 0.049 0.000 1.127 94 L HN -0.114 nan 8.230 nan 0.000 0.492 95 P HA 0.073 nan 4.420 nan 0.000 0.267 95 P C 0.059 177.484 177.300 0.207 0.000 1.209 95 P CA -0.064 63.169 63.100 0.222 0.000 0.763 95 P CB 0.775 32.480 31.700 0.009 0.000 0.816 96 G N 1.835 110.720 108.800 0.141 0.000 2.562 96 G HA2 0.144 4.104 3.960 -0.000 0.000 0.275 96 G HA3 0.144 4.104 3.960 -0.000 0.000 0.275 96 G C 0.860 175.877 174.900 0.194 0.000 1.196 96 G CA -0.493 44.683 45.100 0.127 0.000 0.908 96 G HN 0.469 nan 8.290 nan 0.000 0.524 97 I N -0.498 120.148 120.570 0.126 0.000 2.361 97 I HA -0.097 4.073 4.170 -0.000 0.000 0.251 97 I C 1.812 178.018 176.117 0.147 0.000 1.133 97 I CA 1.292 62.655 61.300 0.104 0.000 1.413 97 I CB -0.100 37.856 38.000 -0.072 0.000 1.073 97 I HN 0.401 nan 8.210 nan 0.000 0.424 98 D N 0.441 120.898 120.400 0.094 0.000 2.312 98 D HA -0.123 4.517 4.640 -0.000 0.000 0.211 98 D C 1.636 178.003 176.300 0.110 0.000 0.964 98 D CA 0.772 54.824 54.000 0.087 0.000 0.877 98 D CB -0.167 40.656 40.800 0.039 0.000 0.924 98 D HN 0.415 nan 8.370 nan 0.000 0.515 99 D N -1.041 119.412 120.400 0.089 0.000 2.277 99 D HA -0.069 4.571 4.640 -0.000 0.000 0.208 99 D C 1.146 177.438 176.300 -0.013 0.000 0.962 99 D CA 0.645 54.651 54.000 0.010 0.000 0.865 99 D CB 0.256 41.014 40.800 -0.071 0.000 0.939 99 D HN 0.309 nan 8.370 nan 0.000 0.510 100 Y N -0.333 120.117 120.300 0.250 0.000 2.612 100 Y HA 0.162 4.712 4.550 -0.000 0.000 0.221 100 Y C 0.294 176.583 175.900 0.648 0.000 0.991 100 Y CA -0.126 58.254 58.100 0.467 0.000 1.165 100 Y CB 0.048 38.778 38.460 0.450 0.000 1.043 100 Y HN -0.112 nan 8.280 nan 0.000 0.474 101 Y N -1.965 118.656 120.300 0.533 0.000 2.721 101 Y HA 0.273 4.823 4.550 -0.000 0.000 0.357 101 Y C -1.303 174.743 175.900 0.243 0.000 1.183 101 Y CA -1.790 56.505 58.100 0.324 0.000 1.231 101 Y CB 0.528 39.200 38.460 0.354 0.000 1.390 101 Y HN 0.215 nan 8.280 nan 0.000 0.488 102 E N 5.932 126.216 120.200 0.140 0.000 2.129 102 E HA 0.316 4.666 4.350 -0.000 0.000 0.283 102 E C -2.349 174.303 176.600 0.087 0.000 1.080 102 E CA -2.242 54.151 56.400 -0.012 0.000 0.867 102 E CB 0.844 30.562 29.700 0.030 0.000 1.056 102 E HN 0.454 nan 8.360 nan 0.000 0.404 103 P HA -0.009 nan 4.420 nan 0.000 0.265 103 P C -1.009 176.320 177.300 0.047 0.000 1.193 103 P CA 0.285 63.340 63.100 -0.075 0.000 0.765 103 P CB 0.106 31.748 31.700 -0.097 0.000 0.823 104 F N 0.431 120.463 119.950 0.137 0.000 2.631 104 F HA 0.860 5.387 4.527 -0.000 0.000 0.328 104 F C -0.511 175.231 175.800 -0.096 0.000 1.067 104 F CA -1.183 56.789 58.000 -0.047 0.000 0.969 104 F CB 1.144 40.060 39.000 -0.140 0.000 1.332 104 F HN 0.163 nan 8.300 nan 0.000 0.490 105 D N -0.686 119.697 120.400 -0.028 0.000 2.744 105 D HA 0.589 5.229 4.640 -0.000 0.000 0.304 105 D C -1.956 174.049 176.300 -0.491 0.000 1.179 105 D CA -0.618 53.346 54.000 -0.060 0.000 1.024 105 D CB 2.200 43.034 40.800 0.057 0.000 1.453 105 D HN 0.402 nan 8.370 nan 0.000 0.529 106 F N 0.066 119.972 119.950 -0.073 0.000 2.576 106 F HA 0.278 4.805 4.527 -0.000 0.000 0.313 106 F C 0.122 175.662 175.800 -0.433 0.000 1.078 106 F CA -0.839 56.950 58.000 -0.353 0.000 0.921 106 F CB 1.811 40.416 39.000 -0.659 0.000 1.232 106 F HN -0.004 nan 8.300 nan 0.000 0.459 107 D N 2.607 122.961 120.400 -0.077 0.000 2.671 107 D HA 0.030 4.670 4.640 -0.000 0.000 0.228 107 D C 0.922 177.233 176.300 0.018 0.000 1.102 107 D CA 0.409 54.402 54.000 -0.012 0.000 1.044 107 D CB -0.352 40.463 40.800 0.025 0.000 1.113 107 D HN 0.454 nan 8.370 nan 0.000 0.480 108 Y N 0.684 121.085 120.300 0.168 0.000 2.193 108 Y HA -0.223 4.327 4.550 -0.000 0.000 0.285 108 Y C 2.433 178.432 175.900 0.165 0.000 1.166 108 Y CA 0.902 59.098 58.100 0.160 0.000 1.181 108 Y CB -0.155 38.388 38.460 0.139 0.000 0.976 108 Y HN 0.165 nan 8.280 nan 0.000 0.520 109 Q N 0.151 120.085 119.800 0.223 0.000 2.297 109 Q HA -0.216 4.124 4.340 -0.000 0.000 0.208 109 Q C 1.826 177.935 176.000 0.181 0.000 0.981 109 Q CA 1.289 57.159 55.803 0.113 0.000 0.876 109 Q CB -0.666 28.090 28.738 0.030 0.000 0.921 109 Q HN 0.536 nan 8.270 nan 0.000 0.446 110 N N 0.317 119.110 118.700 0.155 0.000 2.289 110 N HA -0.102 4.638 4.740 -0.000 0.000 0.184 110 N C 1.563 177.158 175.510 0.142 0.000 1.016 110 N CA 0.663 53.785 53.050 0.120 0.000 0.872 110 N CB -0.103 38.434 38.487 0.084 0.000 0.973 110 N HN 0.215 nan 8.380 nan 0.000 0.433 111 L N -1.127 120.218 121.223 0.203 0.000 2.201 111 L HA -0.109 4.231 4.340 -0.000 0.000 0.212 111 L C 1.569 178.497 176.870 0.095 0.000 1.105 111 L CA 0.937 55.862 54.840 0.142 0.000 0.775 111 L CB -0.382 41.766 42.059 0.148 0.000 0.913 111 L HN 0.305 nan 8.230 nan 0.000 0.440 112 H N -1.326 117.780 119.070 0.061 0.000 2.399 112 H HA -0.030 4.526 4.556 -0.000 0.000 0.300 112 H C 2.191 177.541 175.328 0.037 0.000 1.048 112 H CA 1.559 57.635 56.048 0.047 0.000 1.370 112 H CB -0.115 29.677 29.762 0.049 0.000 1.428 112 H HN 0.245 nan 8.280 nan 0.000 0.534 113 T N -1.712 112.949 114.554 0.179 0.000 3.122 113 T HA 0.457 4.807 4.350 -0.000 0.000 0.250 113 T C 0.973 175.716 174.700 0.071 0.000 1.067 113 T CA -0.008 62.155 62.100 0.104 0.000 0.966 113 T CB -0.432 68.486 68.868 0.084 0.000 1.002 113 T HN 0.363 nan 8.240 nan 0.000 0.542 114 A N 4.069 126.929 122.820 0.068 0.000 2.567 114 A HA 0.450 4.770 4.320 -0.000 0.000 0.240 114 A C -1.283 176.322 177.584 0.036 0.000 1.053 114 A CA -1.003 51.063 52.037 0.047 0.000 0.755 114 A CB -0.258 18.767 19.000 0.040 0.000 0.978 114 A HN 0.490 nan 8.150 nan 0.000 0.507 115 P HA 0.120 nan 4.420 nan 0.000 0.272 115 P C -0.085 177.227 177.300 0.019 0.000 1.240 115 P CA -0.455 62.660 63.100 0.024 0.000 0.791 115 P CB 0.539 32.252 31.700 0.022 0.000 0.978 116 E N -0.020 120.189 120.200 0.016 0.000 2.415 116 E HA 0.195 4.545 4.350 -0.000 0.000 0.262 116 E C 0.860 177.467 176.600 0.012 0.000 1.038 116 E CA 0.579 56.987 56.400 0.013 0.000 0.921 116 E CB -0.348 29.359 29.700 0.011 0.000 0.950 116 E HN 0.785 nan 8.360 nan 0.000 0.438 117 G N 2.797 111.602 108.800 0.010 0.000 2.249 117 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.273 117 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.273 117 G C 0.006 174.911 174.900 0.010 0.000 1.036 117 G CA 0.468 45.574 45.100 0.009 0.000 0.824 117 G HN 0.448 nan 8.290 nan 0.000 0.504 118 S N -0.622 115.085 115.700 0.011 0.000 2.562 118 S HA 0.308 4.778 4.470 -0.000 0.000 0.281 118 S C 1.484 176.090 174.600 0.010 0.000 1.333 118 S CA -0.014 58.193 58.200 0.012 0.000 1.052 118 S CB 1.316 64.524 63.200 0.014 0.000 0.884 118 S HN 0.367 nan 8.310 nan 0.000 0.506 119 K N 1.476 121.882 120.400 0.010 0.000 2.288 119 K HA 0.024 4.343 4.320 -0.000 0.000 0.201 119 K C 0.816 177.420 176.600 0.008 0.000 1.048 119 K CA 0.414 56.706 56.287 0.008 0.000 0.956 119 K CB 0.040 32.545 32.500 0.008 0.000 0.746 119 K HN 0.706 nan 8.250 nan 0.000 0.461 120 S N -1.783 113.923 115.700 0.009 0.000 2.685 120 S HA 0.243 4.713 4.470 -0.000 0.000 0.282 120 S C -0.971 173.635 174.600 0.010 0.000 1.159 120 S CA -1.109 57.096 58.200 0.009 0.000 0.833 120 S CB 1.268 64.473 63.200 0.009 0.000 1.151 120 S HN 0.049 nan 8.310 nan 0.000 0.485 121 Q N 1.214 121.019 119.800 0.008 0.000 2.289 121 Q HA 0.249 4.589 4.340 -0.000 0.000 0.273 121 Q C -2.229 173.779 176.000 0.013 0.000 1.029 121 Q CA -1.204 54.604 55.803 0.008 0.000 0.896 121 Q CB -0.099 28.642 28.738 0.005 0.000 1.182 121 Q HN 0.410 nan 8.270 nan 0.000 0.385 122 P HA 0.083 nan 4.420 nan 0.000 0.267 122 P C -0.953 176.363 177.300 0.027 0.000 1.200 122 P CA 0.056 63.171 63.100 0.026 0.000 0.772 122 P CB 0.480 32.199 31.700 0.031 0.000 0.855 123 I N 1.207 121.797 120.570 0.032 0.000 2.969 123 I HA 0.600 4.770 4.170 -0.000 0.000 0.307 123 I C -1.205 174.936 176.117 0.040 0.000 1.149 123 I CA -1.139 60.179 61.300 0.030 0.000 1.008 123 I CB 2.143 40.156 38.000 0.022 0.000 1.232 123 I HN 0.336 nan 8.210 nan 0.000 0.435 124 A N 6.051 128.888 122.820 0.030 0.000 2.341 124 A HA 0.689 5.009 4.320 -0.000 0.000 0.326 124 A C -0.203 177.438 177.584 0.095 0.000 1.402 124 A CA -0.529 51.524 52.037 0.027 0.000 0.957 124 A CB 0.023 18.989 19.000 -0.055 0.000 1.151 124 A HN 0.660 nan 8.150 nan 0.000 0.533 125 R N 2.967 123.529 120.500 0.104 0.000 2.528 125 R HA 0.422 4.762 4.340 -0.000 0.000 0.271 125 R C -2.451 173.931 176.300 0.136 0.000 1.056 125 R CA -1.753 54.430 56.100 0.138 0.000 1.117 125 R CB 0.764 31.100 30.300 0.059 0.000 1.085 125 R HN 0.496 nan 8.270 nan 0.000 0.530 126 P HA 0.103 nan 4.420 nan 0.000 0.272 126 P C -1.099 176.080 177.300 -0.202 0.000 1.223 126 P CA -0.110 62.785 63.100 -0.342 0.000 0.784 126 P CB 0.989 32.475 31.700 -0.357 0.000 0.923 127 R N 0.973 121.337 120.500 -0.225 0.000 2.584 127 R HA 0.336 4.676 4.340 -0.000 0.000 0.276 127 R C -0.650 175.620 176.300 -0.050 0.000 1.046 127 R CA -0.609 55.433 56.100 -0.096 0.000 0.906 127 R CB 1.636 31.899 30.300 -0.063 0.000 1.215 127 R HN 0.478 nan 8.270 nan 0.000 0.449 128 S N 3.332 119.017 115.700 -0.024 0.000 2.533 128 S HA 0.108 4.578 4.470 -0.000 0.000 0.282 128 S C 1.158 175.751 174.600 -0.012 0.000 1.304 128 S CA -0.314 57.881 58.200 -0.008 0.000 1.063 128 S CB 0.500 63.675 63.200 -0.041 0.000 0.881 128 S HN 0.635 nan 8.310 nan 0.000 0.493 129 L N 5.229 126.452 121.223 -0.001 0.000 2.492 129 L HA 0.038 4.378 4.340 -0.000 0.000 0.223 129 L C 1.467 178.333 176.870 -0.006 0.000 1.132 129 L CA 0.133 54.991 54.840 0.031 0.000 0.850 129 L CB -0.171 41.929 42.059 0.069 0.000 0.966 129 L HN 0.694 nan 8.230 nan 0.000 0.454 130 I N -0.526 119.945 120.570 -0.165 0.000 2.364 130 I HA -0.124 4.046 4.170 -0.000 0.000 0.241 130 I C 2.651 178.605 176.117 -0.271 0.000 1.082 130 I CA 1.885 62.927 61.300 -0.431 0.000 1.401 130 I CB -1.322 36.340 38.000 -0.563 0.000 1.126 130 I HN 0.281 nan 8.210 nan 0.000 0.429 131 T N -1.670 112.780 114.554 -0.173 0.000 3.035 131 T HA 0.174 4.524 4.350 -0.000 0.000 0.259 131 T C 1.634 176.304 174.700 -0.049 0.000 1.078 131 T CA 0.912 62.950 62.100 -0.104 0.000 1.132 131 T CB 0.138 68.953 68.868 -0.089 0.000 0.900 131 T HN 0.521 nan 8.240 nan 0.000 0.480 132 G N 1.105 109.883 108.800 -0.036 0.000 2.159 132 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.256 132 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.256 132 G C -0.217 174.675 174.900 -0.013 0.000 0.977 132 G CA 0.228 45.322 45.100 -0.010 0.000 0.652 132 G HN 0.674 nan 8.290 nan 0.000 0.531 133 E N -0.353 119.833 120.200 -0.024 0.000 2.250 133 E HA 0.521 4.871 4.350 -0.000 0.000 0.269 133 E C 0.629 177.214 176.600 -0.025 0.000 1.018 133 E CA -1.132 55.256 56.400 -0.021 0.000 0.873 133 E CB 1.002 30.687 29.700 -0.024 0.000 1.134 133 E HN 0.260 nan 8.360 nan 0.000 0.403 134 R N 1.627 122.115 120.500 -0.020 0.000 2.640 134 R HA 0.033 4.373 4.340 -0.000 0.000 0.270 134 R C -0.731 175.552 176.300 -0.029 0.000 1.024 134 R CA 0.864 56.950 56.100 -0.023 0.000 1.085 134 R CB 0.248 30.541 30.300 -0.012 0.000 0.963 134 R HN 0.453 nan 8.270 nan 0.000 0.426 135 M N 4.390 123.966 119.600 -0.040 0.000 2.227 135 M HA 0.341 4.821 4.480 -0.000 0.000 0.335 135 M C 0.700 176.980 176.300 -0.033 0.000 1.053 135 M CA -0.507 54.768 55.300 -0.042 0.000 0.973 135 M CB 2.289 34.850 32.600 -0.064 0.000 1.623 135 M HN 0.897 nan 8.290 nan 0.000 0.434 136 A N 3.471 126.278 122.820 -0.022 0.000 2.014 136 A HA 0.039 4.359 4.320 -0.000 0.000 0.218 136 A C 0.770 178.350 177.584 -0.007 0.000 1.163 136 A CA 1.374 53.405 52.037 -0.010 0.000 0.652 136 A CB 0.222 19.218 19.000 -0.006 0.000 0.808 136 A HN 0.748 nan 8.150 nan 0.000 0.449 137 K N -0.882 119.506 120.400 -0.019 0.000 2.589 137 K HA 0.483 4.803 4.320 -0.000 0.000 0.265 137 K C -1.910 174.664 176.600 -0.044 0.000 0.935 137 K CA -0.644 55.635 56.287 -0.013 0.000 0.850 137 K CB 1.086 33.592 32.500 0.011 0.000 1.372 137 K HN 0.129 nan 8.250 nan 0.000 0.420 138 I N 4.006 124.544 120.570 -0.054 0.000 2.352 138 I HA 0.123 4.293 4.170 -0.000 0.000 0.290 138 I C 0.837 176.932 176.117 -0.036 0.000 1.036 138 I CA 0.031 61.262 61.300 -0.115 0.000 1.336 138 I CB 1.183 39.019 38.000 -0.272 0.000 1.407 138 I HN 0.653 nan 8.210 nan 0.000 0.497 139 E N 4.655 124.737 120.200 -0.198 0.000 2.511 139 E HA 0.127 4.477 4.350 -0.000 0.000 0.209 139 E C -0.085 175.906 176.600 -1.016 0.000 0.986 139 E CA 0.008 56.186 56.400 -0.371 0.000 0.974 139 E CB 0.958 30.549 29.700 -0.182 0.000 1.030 139 E HN 0.365 nan 8.360 nan 0.000 0.490 140 K N 0.022 119.860 120.400 -0.937 0.000 2.551 140 K HA 0.576 4.896 4.320 -0.000 0.000 0.269 140 K C -1.163 175.319 176.600 -0.197 0.000 0.949 140 K CA -0.510 55.229 56.287 -0.913 0.000 0.849 140 K CB 2.194 34.532 32.500 -0.270 0.000 1.411 140 K HN 0.042 nan 8.250 nan 0.000 0.432 141 G N 1.403 110.245 108.800 0.070 0.000 2.684 141 G HA2 0.412 4.372 3.960 -0.000 0.000 0.290 141 G HA3 0.412 4.372 3.960 -0.000 0.000 0.290 141 G C -2.419 172.378 174.900 -0.171 0.000 1.425 141 G CA -1.199 43.926 45.100 0.041 0.000 0.822 141 G HN 0.406 nan 8.290 nan 0.000 0.482 142 P HA -0.048 nan 4.420 nan 0.000 0.230 142 P C 0.416 177.466 177.300 -0.417 0.000 1.158 142 P CA 0.922 63.586 63.100 -0.726 0.000 0.769 142 P CB 0.464 31.316 31.700 -1.413 0.000 0.807 143 N N -1.443 117.117 118.700 -0.232 0.000 2.451 143 N HA 0.033 4.773 4.740 -0.000 0.000 0.271 143 N C 0.898 176.446 175.510 0.065 0.000 1.410 143 N CA -0.540 52.458 53.050 -0.088 0.000 0.884 143 N CB 0.003 38.337 38.487 -0.254 0.000 1.332 143 N HN -0.005 nan 8.380 nan 0.000 0.498 144 W N 1.240 122.517 121.300 -0.038 0.000 2.331 144 W HA -0.119 4.541 4.660 -0.000 0.000 0.291 144 W C 0.366 176.908 176.519 0.038 0.000 1.214 144 W CA 1.242 58.596 57.345 0.015 0.000 1.228 144 W CB 0.372 29.867 29.460 0.059 0.000 1.135 144 W HN 0.340 nan 8.180 nan 0.000 0.537 145 E N -0.053 120.272 120.200 0.209 0.000 2.437 145 E HA -0.047 4.303 4.350 -0.000 0.000 0.189 145 E C -0.092 176.554 176.600 0.076 0.000 1.054 145 E CA -0.299 56.178 56.400 0.129 0.000 0.874 145 E CB -0.252 29.547 29.700 0.164 0.000 1.011 145 E HN 0.084 nan 8.360 nan 0.000 0.474 146 D N 1.833 122.264 120.400 0.052 0.000 2.583 146 D HA -0.125 4.515 4.640 -0.000 0.000 0.232 146 D C -0.326 176.017 176.300 0.072 0.000 1.128 146 D CA 0.530 54.580 54.000 0.084 0.000 0.859 146 D CB 0.340 41.148 40.800 0.013 0.000 1.169 146 D HN -0.061 nan 8.370 nan 0.000 0.481 147 D N 3.324 123.806 120.400 0.136 0.000 2.697 147 D HA -0.215 4.425 4.640 -0.000 0.000 0.235 147 D C 0.390 176.716 176.300 0.044 0.000 1.167 147 D CA 0.644 54.702 54.000 0.098 0.000 0.656 147 D CB -0.963 39.906 40.800 0.114 0.000 1.025 147 D HN 0.638 nan 8.370 nan 0.000 0.419 148 L N -2.590 118.650 121.223 0.028 0.000 3.634 148 L HA -0.222 4.118 4.340 -0.000 0.000 0.423 148 L C 1.132 178.029 176.870 0.046 0.000 1.253 148 L CA 0.783 55.646 54.840 0.039 0.000 0.885 148 L CB -1.770 40.324 42.059 0.059 0.000 1.789 148 L HN 0.469 nan 8.230 nan 0.000 0.904 149 G N 0.560 109.372 108.800 0.020 0.000 2.394 149 G HA2 0.542 4.502 3.960 -0.000 0.000 0.298 149 G HA3 0.542 4.502 3.960 -0.000 0.000 0.298 149 G C 0.616 175.530 174.900 0.025 0.000 1.087 149 G CA 0.622 45.714 45.100 -0.014 0.000 1.035 149 G HN 0.806 nan 8.290 nan 0.000 0.420 150 G N 1.985 110.816 108.800 0.052 0.000 2.335 150 G HA2 0.163 4.123 3.960 -0.000 0.000 0.592 150 G HA3 0.163 4.123 3.960 -0.000 0.000 0.592 150 G C -0.607 174.350 174.900 0.097 0.000 1.442 150 G CA -1.143 44.011 45.100 0.089 0.000 0.976 150 G HN 0.660 nan 8.290 nan 0.000 0.652 151 E N 0.117 120.377 120.200 0.099 0.000 2.452 151 E HA 0.278 4.628 4.350 -0.000 0.000 0.261 151 E C 0.971 177.648 176.600 0.127 0.000 0.987 151 E CA -0.086 56.383 56.400 0.115 0.000 0.926 151 E CB 0.447 30.203 29.700 0.093 0.000 0.934 151 E HN 0.455 nan 8.360 nan 0.000 0.452 152 F N 2.899 122.864 119.950 0.024 0.000 2.095 152 F HA -0.253 4.274 4.527 -0.000 0.000 0.298 152 F C 1.481 177.288 175.800 0.013 0.000 1.104 152 F CA 1.857 59.864 58.000 0.012 0.000 1.232 152 F CB 0.135 39.135 39.000 0.000 0.000 0.987 152 F HN 0.501 nan 8.300 nan 0.000 0.475 153 D N -0.041 120.435 120.400 0.126 0.000 2.265 153 D HA -0.202 4.438 4.640 -0.000 0.000 0.208 153 D C 2.093 178.372 176.300 -0.034 0.000 0.977 153 D CA 1.087 55.106 54.000 0.032 0.000 0.871 153 D CB -0.309 40.531 40.800 0.066 0.000 0.925 153 D HN 0.388 nan 8.370 nan 0.000 0.485 154 K N 0.332 120.718 120.400 -0.022 0.000 2.128 154 K HA 0.045 4.365 4.320 -0.000 0.000 0.202 154 K C 2.143 178.715 176.600 -0.047 0.000 1.050 154 K CA 0.187 56.469 56.287 -0.009 0.000 0.966 154 K CB 0.116 32.637 32.500 0.035 0.000 0.759 154 K HN 0.042 nan 8.250 nan 0.000 0.454 155 L N 0.679 121.828 121.223 -0.123 0.000 2.156 155 L HA -0.016 4.324 4.340 -0.000 0.000 0.208 155 L C 2.367 179.114 176.870 -0.205 0.000 1.095 155 L CA 0.892 55.635 54.840 -0.162 0.000 0.770 155 L CB -0.402 41.506 42.059 -0.251 0.000 0.914 155 L HN 0.215 nan 8.230 nan 0.000 0.439 156 A N -0.159 122.451 122.820 -0.351 0.000 2.248 156 A HA -0.115 4.205 4.320 -0.000 0.000 0.210 156 A C 1.964 179.558 177.584 0.017 0.000 1.174 156 A CA 0.838 52.745 52.037 -0.218 0.000 0.750 156 A CB -0.369 18.369 19.000 -0.436 0.000 0.780 156 A HN 0.310 nan 8.150 nan 0.000 0.478 157 K N 0.699 121.099 120.400 -0.001 0.000 2.555 157 K HA -0.052 4.268 4.320 -0.000 0.000 0.193 157 K C -0.047 176.593 176.600 0.067 0.000 1.032 157 K CA 0.030 56.336 56.287 0.031 0.000 1.004 157 K CB -0.130 32.378 32.500 0.012 0.000 0.804 157 K HN 0.442 nan 8.250 nan 0.000 0.496 158 D N 2.220 122.689 120.400 0.115 0.000 2.586 158 D HA -0.105 4.535 4.640 -0.000 0.000 0.234 158 D C 0.958 177.316 176.300 0.098 0.000 1.132 158 D CA 0.494 54.559 54.000 0.109 0.000 0.860 158 D CB 1.070 41.978 40.800 0.180 0.000 1.159 158 D HN -0.146 nan 8.370 nan 0.000 0.490 159 K N 3.283 123.673 120.400 -0.016 0.000 2.211 159 K HA -0.139 4.181 4.320 -0.000 0.000 0.204 159 K C 1.195 177.767 176.600 -0.047 0.000 1.047 159 K CA 1.402 57.661 56.287 -0.046 0.000 0.935 159 K CB -0.102 32.314 32.500 -0.140 0.000 0.728 159 K HN 0.474 nan 8.250 nan 0.000 0.452 160 N N -1.003 117.627 118.700 -0.117 0.000 2.550 160 N HA -0.026 4.714 4.740 -0.000 0.000 0.186 160 N C 0.540 175.957 175.510 -0.156 0.000 1.110 160 N CA 0.360 53.220 53.050 -0.316 0.000 0.912 160 N CB -0.031 37.947 38.487 -0.848 0.000 0.968 160 N HN 0.127 nan 8.380 nan 0.000 0.448 161 F N 0.737 120.746 119.950 0.097 0.000 2.773 161 F HA 0.095 4.622 4.527 -0.000 0.000 0.304 161 F C 0.308 176.162 175.800 0.090 0.000 1.129 161 F CA -0.646 57.461 58.000 0.178 0.000 1.378 161 F CB 0.249 39.351 39.000 0.171 0.000 1.095 161 F HN -0.096 nan 8.300 nan 0.000 0.565 162 D N 0.960 121.479 120.400 0.198 0.000 2.493 162 D HA -0.038 4.602 4.640 -0.000 0.000 0.240 162 D C 0.564 176.931 176.300 0.112 0.000 1.142 162 D CA 0.887 54.956 54.000 0.114 0.000 0.872 162 D CB 0.169 40.993 40.800 0.041 0.000 1.173 162 D HN 0.091 nan 8.370 nan 0.000 0.467 163 N N 0.844 119.602 118.700 0.097 0.000 2.828 163 N HA -0.209 4.531 4.740 -0.000 0.000 0.248 163 N C -0.697 174.887 175.510 0.123 0.000 1.044 163 N CA 0.649 53.750 53.050 0.085 0.000 0.851 163 N CB -1.157 37.364 38.487 0.057 0.000 1.136 163 N HN 0.467 nan 8.380 nan 0.000 0.572 164 I N 1.305 121.987 120.570 0.187 0.000 2.433 164 I HA 0.129 4.299 4.170 -0.000 0.000 0.292 164 I C 0.073 176.311 176.117 0.203 0.000 1.001 164 I CA -0.723 60.727 61.300 0.251 0.000 1.119 164 I CB 1.582 39.852 38.000 0.450 0.000 1.289 164 I HN -0.174 nan 8.210 nan 0.000 0.438 165 Q N 5.873 125.776 119.800 0.172 0.000 2.337 165 Q HA 0.082 4.422 4.340 -0.000 0.000 0.255 165 Q C 0.624 176.700 176.000 0.126 0.000 1.205 165 Q CA 0.150 56.017 55.803 0.106 0.000 0.902 165 Q CB 0.100 28.881 28.738 0.072 0.000 1.433 165 Q HN 0.413 nan 8.270 nan 0.000 0.471 166 K N 1.776 122.201 120.400 0.041 0.000 2.057 166 K HA -0.195 4.125 4.320 -0.000 0.000 0.206 166 K C 1.910 178.523 176.600 0.022 0.000 1.050 166 K CA 0.953 57.219 56.287 -0.034 0.000 0.935 166 K CB -0.238 32.104 32.500 -0.264 0.000 0.715 166 K HN 0.631 nan 8.250 nan 0.000 0.439 167 A N 2.699 125.511 122.820 -0.013 0.000 1.886 167 A HA -0.383 3.937 4.320 -0.000 0.000 0.240 167 A C 2.261 179.796 177.584 -0.082 0.000 1.875 167 A CA 3.159 55.177 52.037 -0.032 0.000 0.760 167 A CB -1.257 17.722 19.000 -0.036 0.000 0.849 167 A HN 0.587 nan 8.150 nan 0.000 0.505 168 M N -2.608 116.889 119.600 -0.172 0.000 2.144 168 M HA -0.180 4.300 4.480 -0.000 0.000 0.260 168 M C 1.953 178.052 176.300 -0.335 0.000 1.067 168 M CA 2.418 57.544 55.300 -0.289 0.000 1.095 168 M CB -0.814 31.531 32.600 -0.426 0.000 1.365 168 M HN 0.415 nan 8.290 nan 0.000 0.406 169 Y N 0.411 120.699 120.300 -0.020 0.000 2.616 169 Y HA 0.058 4.608 4.550 -0.000 0.000 0.296 169 Y C 2.420 177.996 175.900 -0.540 0.000 1.154 169 Y CA 0.657 58.708 58.100 -0.082 0.000 1.325 169 Y CB -0.123 38.481 38.460 0.241 0.000 1.007 169 Y HN 0.400 nan 8.280 nan 0.000 0.542 170 S N 0.381 115.912 115.700 -0.281 0.000 2.743 170 S HA 0.102 4.572 4.470 -0.000 0.000 0.230 170 S C 0.067 174.501 174.600 -0.278 0.000 0.950 170 S CA -0.261 57.692 58.200 -0.412 0.000 0.976 170 S CB -0.384 62.806 63.200 -0.016 0.000 0.779 170 S HN 0.342 nan 8.310 nan 0.000 0.487 171 Q N 0.122 119.773 119.800 -0.247 0.000 2.337 171 Q HA 0.304 4.644 4.340 -0.000 0.000 0.266 171 Q C 0.016 175.972 176.000 -0.073 0.000 1.023 171 Q CA -0.666 55.073 55.803 -0.108 0.000 0.829 171 Q CB 1.251 29.944 28.738 -0.075 0.000 1.306 171 Q HN 0.337 nan 8.270 nan 0.000 0.449 172 F N 3.876 123.749 119.950 -0.130 0.000 2.045 172 F HA -0.343 4.184 4.527 -0.000 0.000 0.297 172 F C 2.083 177.845 175.800 -0.063 0.000 1.114 172 F CA 2.615 60.558 58.000 -0.094 0.000 1.207 172 F CB 0.165 39.130 39.000 -0.060 0.000 0.964 172 F HN 0.689 nan 8.300 nan 0.000 0.486 173 E N -0.093 120.086 120.200 -0.034 0.000 2.273 173 E HA -0.267 4.082 4.350 -0.000 0.000 0.198 173 E C 1.003 177.520 176.600 -0.138 0.000 1.002 173 E CA 1.810 58.136 56.400 -0.123 0.000 0.828 173 E CB -1.323 28.387 29.700 0.015 0.000 0.747 173 E HN 0.680 nan 8.360 nan 0.000 0.491 174 N N 0.434 119.070 118.700 -0.106 0.000 2.214 174 N HA 0.052 4.792 4.740 -0.000 0.000 0.214 174 N C -0.532 175.024 175.510 0.077 0.000 1.132 174 N CA -0.136 52.914 53.050 -0.000 0.000 0.856 174 N CB 0.649 39.127 38.487 -0.016 0.000 1.020 174 N HN -0.061 nan 8.380 nan 0.000 0.509 175 T N 1.635 116.122 114.554 -0.112 0.000 2.946 175 T HA 0.109 4.459 4.350 -0.000 0.000 0.311 175 T C -0.372 174.358 174.700 0.051 0.000 1.063 175 T CA 0.561 62.582 62.100 -0.132 0.000 1.139 175 T CB 0.006 68.719 68.868 -0.259 0.000 0.994 175 T HN 0.222 nan 8.240 nan 0.000 0.547 176 F N 1.370 121.298 119.950 -0.037 0.000 2.654 176 F HA 0.763 5.290 4.527 -0.000 0.000 0.308 176 F C -1.185 174.566 175.800 -0.082 0.000 1.108 176 F CA -1.737 56.223 58.000 -0.067 0.000 0.957 176 F CB 1.499 40.446 39.000 -0.088 0.000 1.309 176 F HN 0.624 nan 8.300 nan 0.000 0.446 177 M N 4.140 123.791 119.600 0.084 0.000 2.471 177 M HA 0.752 5.232 4.480 -0.000 0.000 0.284 177 M C -1.871 174.341 176.300 -0.147 0.000 1.203 177 M CA -0.749 54.484 55.300 -0.112 0.000 0.915 177 M CB 2.792 35.274 32.600 -0.197 0.000 1.734 177 M HN 1.009 nan 8.290 nan 0.000 0.485 178 M N 0.466 119.912 119.600 -0.256 0.000 2.744 178 M HA 0.754 5.234 4.480 -0.000 0.000 0.283 178 M C -2.104 173.898 176.300 -0.497 0.000 1.275 178 M CA -0.813 54.310 55.300 -0.296 0.000 0.796 178 M CB 2.251 34.831 32.600 -0.034 0.000 1.739 178 M HN 0.735 nan 8.290 nan 0.000 0.454 179 Y N 0.478 120.833 120.300 0.090 0.000 2.446 179 Y HA 0.708 5.258 4.550 -0.000 0.000 0.345 179 Y C -1.053 174.897 175.900 0.084 0.000 0.984 179 Y CA -0.947 57.202 58.100 0.081 0.000 1.058 179 Y CB 2.123 40.617 38.460 0.057 0.000 1.220 179 Y HN 0.592 nan 8.280 nan 0.000 0.455 180 L N 6.132 127.497 121.223 0.236 0.000 2.384 180 L HA 0.617 4.957 4.340 -0.000 0.000 0.261 180 L C -3.001 173.988 176.870 0.198 0.000 1.024 180 L CA -2.411 52.529 54.840 0.167 0.000 0.899 180 L CB 0.748 42.889 42.059 0.136 0.000 1.243 180 L HN 0.276 nan 8.230 nan 0.000 0.449 181 P HA 0.473 nan 4.420 nan 0.000 0.279 181 P C -1.448 176.035 177.300 0.305 0.000 1.239 181 P CA -0.294 62.930 63.100 0.206 0.000 0.789 181 P CB 0.805 32.617 31.700 0.185 0.000 0.933 182 R N 2.366 123.018 120.500 0.254 0.000 2.629 182 R HA 0.755 5.095 4.340 -0.000 0.000 0.266 182 R C -1.152 175.282 176.300 0.225 0.000 1.051 182 R CA -0.973 55.292 56.100 0.275 0.000 0.895 182 R CB 0.834 31.269 30.300 0.225 0.000 1.246 182 R HN 0.415 nan 8.270 nan 0.000 0.459 183 L N -1.228 120.118 121.223 0.205 0.000 2.192 183 L HA 0.756 5.096 4.340 -0.000 0.000 0.250 183 L C -0.332 176.597 176.870 0.099 0.000 1.114 183 L CA -1.298 53.661 54.840 0.199 0.000 1.065 183 L CB 0.624 42.826 42.059 0.239 0.000 1.609 183 L HN 0.741 nan 8.230 nan 0.000 0.495 184 C N 0.844 120.182 119.300 0.064 0.000 2.644 184 C HA 0.252 4.712 4.460 -0.000 0.000 0.417 184 C C 1.574 176.500 174.990 -0.108 0.000 1.304 184 C CA -0.107 58.829 59.018 -0.136 0.000 2.035 184 C CB 0.094 27.606 27.740 -0.380 0.000 2.673 184 C HN 0.814 nan 8.230 nan 0.000 0.602 185 E N 1.757 121.819 120.200 -0.230 0.000 2.481 185 E HA -0.008 4.342 4.350 -0.000 0.000 0.195 185 E C 0.583 177.153 176.600 -0.050 0.000 1.047 185 E CA 0.362 56.678 56.400 -0.141 0.000 0.867 185 E CB -0.302 29.209 29.700 -0.315 0.000 0.858 185 E HN 0.830 nan 8.360 nan 0.000 0.513 186 H N -0.327 118.681 119.070 -0.103 0.000 2.527 186 H HA -0.167 4.389 4.556 -0.000 0.000 0.321 186 H C 0.234 175.508 175.328 -0.091 0.000 1.092 186 H CA 0.569 56.534 56.048 -0.139 0.000 1.118 186 H CB -2.449 27.135 29.762 -0.298 0.000 1.536 186 H HN 0.206 nan 8.280 nan 0.000 0.407 187 C N 0.506 119.815 119.300 0.015 0.000 2.745 187 C HA -0.059 4.401 4.460 -0.000 0.000 0.402 187 C C 2.658 177.673 174.990 0.043 0.000 1.261 187 C CA -0.313 58.749 59.018 0.074 0.000 1.908 187 C CB 0.028 27.864 27.740 0.160 0.000 2.707 187 C HN 0.580 nan 8.230 nan 0.000 0.672 188 L N 1.108 122.341 121.223 0.015 0.000 2.375 188 L HA 0.048 4.388 4.340 -0.000 0.000 0.215 188 L C 1.127 178.013 176.870 0.026 0.000 1.108 188 L CA 1.071 55.875 54.840 -0.059 0.000 0.830 188 L CB -0.399 41.538 42.059 -0.202 0.000 0.959 188 L HN 0.757 nan 8.230 nan 0.000 0.457 189 N N 0.536 119.286 118.700 0.083 0.000 2.757 189 N HA 0.165 4.905 4.740 -0.000 0.000 0.296 189 N C -2.573 173.149 175.510 0.354 0.000 1.874 189 N CA -2.076 51.047 53.050 0.121 0.000 0.885 189 N CB 0.703 39.154 38.487 -0.060 0.000 1.242 189 N HN -0.115 nan 8.380 nan 0.000 0.488 190 P HA 0.026 nan 4.420 nan 0.000 0.263 190 P C 0.358 177.856 177.300 0.330 0.000 1.195 190 P CA 0.104 63.370 63.100 0.277 0.000 0.762 190 P CB 1.388 33.169 31.700 0.136 0.000 0.799 191 A N 3.950 126.876 122.820 0.177 0.000 1.970 191 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 191 A C 2.286 179.743 177.584 -0.212 0.000 1.170 191 A CA 1.399 53.258 52.037 -0.296 0.000 0.645 191 A CB -1.478 17.233 19.000 -0.481 0.000 0.816 191 A HN 0.740 nan 8.150 nan 0.000 0.447 192 C N -1.712 117.543 119.300 -0.075 0.000 2.432 192 C HA -0.051 4.409 4.460 -0.000 0.000 0.277 192 C C 2.307 177.282 174.990 -0.025 0.000 1.249 192 C CA 0.894 59.874 59.018 -0.062 0.000 1.725 192 C CB -1.644 26.066 27.740 -0.051 0.000 2.028 192 C HN 0.289 nan 8.230 nan 0.000 0.477 193 V N 2.241 122.168 119.914 0.021 0.000 2.392 193 V HA -0.146 3.974 4.120 -0.000 0.000 0.249 193 V C 3.159 179.293 176.094 0.067 0.000 1.059 193 V CA 2.365 64.702 62.300 0.062 0.000 1.051 193 V CB -1.383 30.503 31.823 0.105 0.000 0.658 193 V HN 0.738 nan 8.190 nan 0.000 0.455 194 A N 0.367 123.214 122.820 0.045 0.000 2.066 194 A HA -0.117 4.203 4.320 -0.000 0.000 0.218 194 A C 2.254 179.809 177.584 -0.047 0.000 1.157 194 A CA 1.745 53.796 52.037 0.023 0.000 0.670 194 A CB -0.584 18.396 19.000 -0.033 0.000 0.804 194 A HN 0.627 nan 8.150 nan 0.000 0.453 195 T N -4.630 109.875 114.554 -0.082 0.000 3.107 195 T HA 0.175 4.525 4.350 -0.000 0.000 0.249 195 T C 0.411 175.132 174.700 0.035 0.000 1.096 195 T CA 0.300 62.365 62.100 -0.059 0.000 1.012 195 T CB -0.897 67.905 68.868 -0.111 0.000 0.977 195 T HN 0.338 nan 8.240 nan 0.000 0.527 196 C N 3.169 122.513 119.300 0.074 0.000 2.258 196 C HA 0.577 5.037 4.460 -0.000 0.000 0.321 196 C C -1.467 173.638 174.990 0.191 0.000 1.168 196 C CA -2.031 57.081 59.018 0.157 0.000 1.531 196 C CB 0.621 28.425 27.740 0.106 0.000 2.095 196 C HN 0.234 nan 8.230 nan 0.000 0.449 197 P HA -0.136 nan 4.420 nan 0.000 0.219 197 P C 1.577 179.043 177.300 0.276 0.000 1.146 197 P CA 1.699 64.947 63.100 0.246 0.000 0.808 197 P CB 0.137 31.956 31.700 0.199 0.000 0.779 198 S N -1.835 114.073 115.700 0.346 0.000 2.527 198 S HA 0.180 4.650 4.470 -0.000 0.000 0.222 198 S C 1.646 176.293 174.600 0.078 0.000 0.985 198 S CA 0.545 58.848 58.200 0.171 0.000 0.921 198 S CB -1.262 61.915 63.200 -0.039 0.000 0.772 198 S HN 0.279 nan 8.310 nan 0.000 0.529 199 G N 0.695 109.549 108.800 0.089 0.000 2.160 199 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.244 199 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.244 199 G C 0.808 175.749 174.900 0.068 0.000 1.022 199 G CA 0.140 45.286 45.100 0.077 0.000 0.741 199 G HN 1.189 nan 8.290 nan 0.000 0.508 200 A N -0.866 121.977 122.820 0.039 0.000 2.066 200 A HA 0.470 4.790 4.320 -0.000 0.000 0.218 200 A C 1.268 178.938 177.584 0.143 0.000 1.157 200 A CA 1.087 53.148 52.037 0.040 0.000 0.670 200 A CB 0.008 18.976 19.000 -0.054 0.000 0.804 200 A HN 0.785 nan 8.150 nan 0.000 0.453 201 I N 0.294 120.935 120.570 0.120 0.000 2.359 201 I HA 0.464 4.634 4.170 -0.000 0.000 0.294 201 I C -0.617 175.608 176.117 0.180 0.000 0.987 201 I CA -0.793 60.561 61.300 0.090 0.000 1.225 201 I CB 1.027 39.038 38.000 0.018 0.000 1.366 201 I HN 0.452 nan 8.210 nan 0.000 0.466 202 Y N 3.279 123.574 120.300 -0.007 0.000 2.571 202 Y HA 0.543 5.093 4.550 -0.000 0.000 0.341 202 Y C -1.083 174.820 175.900 0.006 0.000 1.076 202 Y CA -1.415 56.687 58.100 0.003 0.000 1.029 202 Y CB 1.266 39.720 38.460 -0.009 0.000 1.308 202 Y HN 0.388 nan 8.280 nan 0.000 0.461 203 K N 3.466 123.920 120.400 0.091 0.000 2.263 203 K HA 0.443 4.763 4.320 -0.000 0.000 0.272 203 K C -0.690 175.981 176.600 0.118 0.000 1.033 203 K CA -0.653 55.653 56.287 0.032 0.000 0.884 203 K CB 0.715 33.259 32.500 0.073 0.000 1.107 203 K HN 0.883 nan 8.250 nan 0.000 0.460 204 R N 2.585 123.124 120.500 0.065 0.000 2.585 204 R HA -0.070 4.270 4.340 -0.000 0.000 0.275 204 R C 0.813 177.165 176.300 0.088 0.000 1.018 204 R CA 0.438 56.608 56.100 0.117 0.000 1.072 204 R CB 0.429 30.750 30.300 0.034 0.000 0.953 204 R HN 0.726 nan 8.270 nan 0.000 0.419 205 E N 2.071 122.320 120.200 0.081 0.000 2.158 205 E HA -0.202 4.148 4.350 -0.000 0.000 0.191 205 E C 1.510 178.130 176.600 0.033 0.000 0.982 205 E CA 1.288 57.721 56.400 0.054 0.000 0.823 205 E CB 0.201 29.921 29.700 0.035 0.000 0.766 205 E HN 0.690 nan 8.360 nan 0.000 0.468 206 E N 1.138 121.356 120.200 0.030 0.000 2.150 206 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 206 E C 0.801 177.418 176.600 0.029 0.000 0.985 206 E CA 1.694 58.108 56.400 0.024 0.000 0.814 206 E CB -0.003 29.715 29.700 0.029 0.000 0.752 206 E HN 0.237 nan 8.360 nan 0.000 0.466 207 D N -2.110 118.308 120.400 0.030 0.000 2.538 207 D HA 0.172 4.812 4.640 -0.000 0.000 0.241 207 D C 1.140 177.441 176.300 0.002 0.000 1.297 207 D CA 0.161 54.175 54.000 0.023 0.000 0.804 207 D CB 0.482 41.296 40.800 0.023 0.000 1.122 207 D HN 0.268 nan 8.370 nan 0.000 0.519 208 G N 0.825 109.644 108.800 0.033 0.000 2.189 208 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.267 208 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.267 208 G C 0.190 175.063 174.900 -0.044 0.000 0.975 208 G CA 0.294 45.414 45.100 0.032 0.000 0.644 208 G HN 0.472 nan 8.290 nan 0.000 0.537 209 I N 1.167 121.678 120.570 -0.097 0.000 2.598 209 I HA 0.210 4.380 4.170 -0.000 0.000 0.284 209 I C 0.858 176.959 176.117 -0.027 0.000 1.140 209 I CA -0.269 60.954 61.300 -0.128 0.000 1.420 209 I CB 1.084 38.996 38.000 -0.146 0.000 1.387 209 I HN -0.109 nan 8.210 nan 0.000 0.553 210 V N 8.273 128.304 119.914 0.196 0.000 2.406 210 V HA 0.372 4.492 4.120 -0.000 0.000 0.272 210 V C 0.231 176.210 176.094 -0.192 0.000 1.043 210 V CA -0.286 61.968 62.300 -0.075 0.000 0.915 210 V CB 0.966 32.729 31.823 -0.099 0.000 0.988 210 V HN 0.472 nan 8.190 nan 0.000 0.466 211 L N 5.408 126.341 121.223 -0.483 0.000 2.333 211 L HA 0.651 4.991 4.340 -0.000 0.000 0.263 211 L C -0.731 175.892 176.870 -0.412 0.000 1.014 211 L CA -0.743 53.819 54.840 -0.464 0.000 0.820 211 L CB 2.671 44.381 42.059 -0.582 0.000 1.352 211 L HN 0.419 nan 8.230 nan 0.000 0.421 212 I N 1.275 121.736 120.570 -0.183 0.000 2.328 212 I HA 0.137 4.307 4.170 -0.000 0.000 0.287 212 I C -0.250 175.886 176.117 0.032 0.000 1.012 212 I CA -0.409 60.857 61.300 -0.057 0.000 1.195 212 I CB 1.362 39.336 38.000 -0.044 0.000 1.350 212 I HN 0.530 nan 8.210 nan 0.000 0.464 213 D N 6.725 127.211 120.400 0.144 0.000 2.389 213 D HA -0.045 4.595 4.640 -0.000 0.000 0.263 213 D C 1.032 177.358 176.300 0.042 0.000 1.255 213 D CA 0.262 54.349 54.000 0.145 0.000 0.914 213 D CB 1.101 41.983 40.800 0.136 0.000 1.116 213 D HN 0.438 nan 8.370 nan 0.000 0.502 214 Q N 2.895 122.714 119.800 0.033 0.000 2.170 214 Q HA -0.126 4.214 4.340 -0.000 0.000 0.203 214 Q C 1.044 177.034 176.000 -0.018 0.000 0.976 214 Q CA 1.060 56.865 55.803 0.003 0.000 0.858 214 Q CB 0.138 28.883 28.738 0.011 0.000 0.907 214 Q HN 0.632 nan 8.270 nan 0.000 0.433 215 D N 0.571 120.963 120.400 -0.013 0.000 2.144 215 D HA -0.090 4.550 4.640 -0.000 0.000 0.200 215 D C 1.595 177.863 176.300 -0.053 0.000 0.978 215 D CA 0.947 54.929 54.000 -0.029 0.000 0.833 215 D CB 0.097 40.883 40.800 -0.022 0.000 0.961 215 D HN 0.262 nan 8.370 nan 0.000 0.470 216 K N -0.072 120.293 120.400 -0.058 0.000 2.228 216 K HA 0.017 4.337 4.320 -0.000 0.000 0.202 216 K C 0.972 177.469 176.600 -0.172 0.000 1.051 216 K CA -0.147 56.081 56.287 -0.097 0.000 0.960 216 K CB 0.139 32.595 32.500 -0.074 0.000 0.743 216 K HN 0.071 nan 8.250 nan 0.000 0.458 217 C N 2.075 121.288 119.300 -0.144 0.000 2.642 217 C HA 0.091 4.551 4.460 -0.000 0.000 0.420 217 C C 1.183 176.016 174.990 -0.261 0.000 1.349 217 C CA -0.170 58.728 59.018 -0.201 0.000 1.821 217 C CB -0.212 27.471 27.740 -0.094 0.000 2.637 217 C HN 0.376 nan 8.230 nan 0.000 0.605 218 R N 2.931 123.156 120.500 -0.458 0.000 2.535 218 R HA 0.221 4.561 4.340 -0.000 0.000 0.323 218 R C 1.366 177.517 176.300 -0.248 0.000 0.979 218 R CA 0.683 56.525 56.100 -0.430 0.000 1.120 218 R CB -0.098 29.756 30.300 -0.742 0.000 1.306 218 R HN 1.246 nan 8.270 nan 0.000 0.540 219 G N 0.832 109.556 108.800 -0.126 0.000 2.176 219 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.252 219 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.252 219 G C 0.537 175.510 174.900 0.120 0.000 1.024 219 G CA 0.307 45.475 45.100 0.113 0.000 0.755 219 G HN 0.269 nan 8.290 nan 0.000 0.507 220 W N -0.353 120.934 121.300 -0.022 0.000 2.388 220 W HA 0.091 4.751 4.660 -0.000 0.000 0.294 220 W C 2.008 178.471 176.519 -0.093 0.000 1.212 220 W CA 1.125 58.421 57.345 -0.082 0.000 1.271 220 W CB -0.449 28.966 29.460 -0.075 0.000 1.126 220 W HN 0.597 nan 8.180 nan 0.000 0.535 221 R N -2.244 118.350 120.500 0.157 0.000 3.963 221 R HA -0.277 4.063 4.340 -0.000 0.000 0.394 221 R C 1.072 177.404 176.300 0.053 0.000 1.131 221 R CA 1.088 57.221 56.100 0.054 0.000 1.059 221 R CB -2.072 28.176 30.300 -0.087 0.000 1.614 221 R HN 0.130 nan 8.270 nan 0.000 0.546 222 M N -0.272 119.382 119.600 0.089 0.000 2.213 222 M HA -0.152 4.328 4.480 -0.000 0.000 0.263 222 M C 2.561 178.869 176.300 0.013 0.000 1.062 222 M CA 2.117 57.443 55.300 0.044 0.000 1.105 222 M CB -0.383 32.245 32.600 0.047 0.000 1.385 222 M HN 0.585 nan 8.290 nan 0.000 0.417 223 C N -0.826 118.490 119.300 0.027 0.000 2.411 223 C HA -0.108 4.352 4.460 -0.000 0.000 0.279 223 C C 2.432 177.402 174.990 -0.033 0.000 1.288 223 C CA 0.262 59.274 59.018 -0.010 0.000 1.764 223 C CB -1.675 26.067 27.740 0.005 0.000 1.974 223 C HN 0.543 nan 8.230 nan 0.000 0.498 224 I N 1.635 122.200 120.570 -0.009 0.000 2.286 224 I HA -0.163 4.007 4.170 -0.000 0.000 0.248 224 I C 2.836 178.925 176.117 -0.047 0.000 1.115 224 I CA 2.002 63.288 61.300 -0.024 0.000 1.392 224 I CB -0.748 37.271 38.000 0.032 0.000 1.065 224 I HN 0.389 nan 8.210 nan 0.000 0.418 225 T N 0.345 114.886 114.554 -0.021 0.000 2.812 225 T HA -0.058 4.292 4.350 -0.000 0.000 0.264 225 T C 1.939 176.587 174.700 -0.087 0.000 1.042 225 T CA 1.346 63.436 62.100 -0.017 0.000 1.140 225 T CB -0.577 68.305 68.868 0.022 0.000 0.870 225 T HN 0.547 nan 8.240 nan 0.000 0.445 226 G N 0.447 109.184 108.800 -0.106 0.000 2.440 226 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.218 226 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.218 226 G C 1.005 175.787 174.900 -0.197 0.000 1.154 226 G CA 0.667 45.661 45.100 -0.175 0.000 0.767 226 G HN 0.603 nan 8.290 nan 0.000 0.552 227 C N 3.435 122.649 119.300 -0.143 0.000 2.657 227 C HA 0.361 4.821 4.460 -0.000 0.000 0.404 227 C C -0.012 174.875 174.990 -0.172 0.000 1.369 227 C CA -1.415 57.536 59.018 -0.111 0.000 1.665 227 C CB 0.810 28.506 27.740 -0.073 0.000 2.453 227 C HN 0.322 nan 8.230 nan 0.000 0.599 228 P HA -0.062 nan 4.420 nan 0.000 0.233 228 P C 0.288 177.343 177.300 -0.408 0.000 1.167 228 P CA 1.372 64.127 63.100 -0.575 0.000 0.770 228 P CB -0.059 30.985 31.700 -1.094 0.000 0.837 229 Y N -0.234 120.074 120.300 0.015 0.000 2.457 229 Y HA 0.226 4.776 4.550 -0.000 0.000 0.263 229 Y C 1.017 176.755 175.900 -0.271 0.000 1.164 229 Y CA -0.332 57.766 58.100 -0.005 0.000 1.274 229 Y CB -0.139 38.316 38.460 -0.008 0.000 1.097 229 Y HN -0.240 nan 8.280 nan 0.000 0.523 230 K N 0.911 121.243 120.400 -0.114 0.000 3.278 230 K HA -0.220 4.100 4.320 -0.000 0.000 0.270 230 K C -0.054 176.330 176.600 -0.361 0.000 0.955 230 K CA 0.407 56.539 56.287 -0.258 0.000 0.723 230 K CB -0.920 31.388 32.500 -0.320 0.000 1.382 230 K HN 0.313 nan 8.250 nan 0.000 0.461 231 K N -0.145 120.093 120.400 -0.269 0.000 2.397 231 K HA 0.303 4.623 4.320 -0.000 0.000 0.202 231 K C 0.763 177.152 176.600 -0.352 0.000 1.022 231 K CA 0.002 56.127 56.287 -0.270 0.000 1.141 231 K CB 0.527 32.981 32.500 -0.076 0.000 0.857 231 K HN 0.320 nan 8.250 nan 0.000 0.514 232 I N 1.295 121.612 120.570 -0.423 0.000 2.378 232 I HA 0.253 4.423 4.170 -0.000 0.000 0.291 232 I C -0.844 175.080 176.117 -0.322 0.000 0.992 232 I CA -1.052 60.103 61.300 -0.241 0.000 1.154 232 I CB 1.000 38.932 38.000 -0.115 0.000 1.315 232 I HN -0.080 nan 8.210 nan 0.000 0.448 233 Y N 5.174 125.542 120.300 0.115 0.000 2.429 233 Y HA 0.382 4.932 4.550 -0.000 0.000 0.342 233 Y C -0.217 175.826 175.900 0.237 0.000 1.004 233 Y CA -0.922 57.269 58.100 0.152 0.000 1.075 233 Y CB 1.427 39.883 38.460 -0.006 0.000 1.214 233 Y HN 0.349 nan 8.280 nan 0.000 0.455 234 F N 3.907 124.042 119.950 0.309 0.000 2.456 234 F HA 0.247 4.774 4.527 -0.000 0.000 0.358 234 F C 0.202 176.182 175.800 0.301 0.000 1.095 234 F CA -0.808 57.343 58.000 0.251 0.000 1.216 234 F CB 0.496 39.633 39.000 0.228 0.000 1.125 234 F HN 0.492 nan 8.300 nan 0.000 0.549 235 N N 7.974 126.439 118.700 -0.392 0.000 2.521 235 N HA -0.007 4.733 4.740 -0.000 0.000 0.236 235 N C 1.071 176.055 175.510 -0.877 0.000 1.067 235 N CA -0.488 52.292 53.050 -0.450 0.000 0.939 235 N CB 0.170 38.450 38.487 -0.344 0.000 1.201 235 N HN 0.860 nan 8.380 nan 0.000 0.511 236 W N 3.741 124.709 121.300 -0.553 0.000 2.424 236 W HA -0.083 4.577 4.660 -0.000 0.000 0.264 236 W C 0.945 177.308 176.519 -0.260 0.000 1.229 236 W CA 0.187 57.266 57.345 -0.444 0.000 1.208 236 W CB -0.257 29.146 29.460 -0.095 0.000 1.127 236 W HN 0.464 nan 8.180 nan 0.000 0.588 237 K N 1.653 121.577 120.400 -0.794 0.000 2.166 237 K HA -0.095 4.225 4.320 -0.000 0.000 0.201 237 K C 2.459 178.859 176.600 -0.332 0.000 1.052 237 K CA 1.639 57.567 56.287 -0.600 0.000 0.969 237 K CB -0.227 31.727 32.500 -0.911 0.000 0.761 237 K HN 0.035 nan 8.250 nan 0.000 0.459 238 S N -1.081 114.402 115.700 -0.361 0.000 2.478 238 S HA 0.140 4.610 4.470 -0.000 0.000 0.222 238 S C 1.371 175.869 174.600 -0.171 0.000 1.008 238 S CA 0.494 58.559 58.200 -0.225 0.000 0.928 238 S CB 0.301 63.378 63.200 -0.205 0.000 0.781 238 S HN 0.506 nan 8.310 nan 0.000 0.518 239 G N 0.876 109.514 108.800 -0.270 0.000 2.148 239 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.254 239 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.254 239 G C -0.123 174.805 174.900 0.047 0.000 0.981 239 G CA 0.480 45.536 45.100 -0.073 0.000 0.670 239 G HN 0.646 nan 8.290 nan 0.000 0.528 240 K N -0.266 120.063 120.400 -0.118 0.000 2.400 240 K HA 0.704 5.024 4.320 -0.000 0.000 0.246 240 K C -0.277 176.346 176.600 0.039 0.000 0.995 240 K CA -0.680 55.617 56.287 0.016 0.000 0.840 240 K CB 1.789 34.270 32.500 -0.031 0.000 1.293 240 K HN 0.072 nan 8.250 nan 0.000 0.445 241 S N 0.923 116.703 115.700 0.134 0.000 2.578 241 S HA 0.319 4.789 4.470 -0.000 0.000 0.283 241 S C -0.802 173.852 174.600 0.089 0.000 1.195 241 S CA -0.743 57.557 58.200 0.167 0.000 1.050 241 S CB 0.982 64.291 63.200 0.182 0.000 1.012 241 S HN 0.402 nan 8.310 nan 0.000 0.511 242 E N 0.827 121.104 120.200 0.128 0.000 2.392 242 E HA 0.590 4.940 4.350 -0.000 0.000 0.269 242 E C -1.016 175.602 176.600 0.031 0.000 0.924 242 E CA -0.950 55.514 56.400 0.107 0.000 0.784 242 E CB 2.175 32.019 29.700 0.240 0.000 1.292 242 E HN 0.644 nan 8.360 nan 0.000 0.447 243 K N -1.053 119.141 120.400 -0.344 0.000 2.571 243 K HA 0.429 4.749 4.320 -0.000 0.000 0.289 243 K C -0.740 175.020 176.600 -1.400 0.000 1.028 243 K CA -0.925 54.926 56.287 -0.725 0.000 0.895 243 K CB 1.102 33.398 32.500 -0.341 0.000 1.534 243 K HN 0.598 nan 8.250 nan 0.000 0.421 244 C N 2.240 120.878 119.300 -1.104 0.000 2.596 244 C HA 0.211 4.671 4.460 -0.000 0.000 0.414 244 C C 1.500 176.356 174.990 -0.224 0.000 1.396 244 C CA -0.299 58.362 59.018 -0.595 0.000 1.698 244 C CB -1.603 26.101 27.740 -0.060 0.000 2.572 244 C HN 0.776 nan 8.230 nan 0.000 0.604 245 I N 2.999 123.459 120.570 -0.184 0.000 3.904 245 I HA 0.367 4.537 4.170 -0.000 0.000 0.333 245 I C 0.769 176.942 176.117 0.093 0.000 1.361 245 I CA -0.356 60.930 61.300 -0.023 0.000 1.116 245 I CB -0.591 37.318 38.000 -0.152 0.000 1.028 245 I HN 0.678 nan 8.210 nan 0.000 0.398 246 F N 2.107 121.992 119.950 -0.108 0.000 3.097 246 F HA -0.341 4.186 4.527 -0.000 0.000 0.278 246 F C 1.097 176.807 175.800 -0.150 0.000 0.917 246 F CA 0.174 58.057 58.000 -0.195 0.000 0.962 246 F CB -1.762 36.906 39.000 -0.552 0.000 0.964 246 F HN 0.528 nan 8.300 nan 0.000 0.668 247 C N -0.172 118.973 119.300 -0.259 0.000 3.886 247 C HA -0.307 4.153 4.460 -0.000 0.000 0.295 247 C C 2.083 176.971 174.990 -0.170 0.000 1.411 247 C CA 0.980 59.841 59.018 -0.262 0.000 2.059 247 C CB -3.153 24.530 27.740 -0.095 0.000 1.329 247 C HN 0.844 nan 8.230 nan 0.000 0.670 248 Y N -0.009 120.224 120.300 -0.112 0.000 2.241 248 Y HA -0.100 4.450 4.550 -0.000 0.000 0.286 248 Y C -0.293 175.605 175.900 -0.003 0.000 1.166 248 Y CA 1.793 59.873 58.100 -0.034 0.000 1.203 248 Y CB -1.969 36.469 38.460 -0.037 0.000 0.977 248 Y HN 0.358 nan 8.280 nan 0.000 0.529 249 P HA -0.117 nan 4.420 nan 0.000 0.219 249 P C 1.103 178.404 177.300 0.002 0.000 1.146 249 P CA 2.029 65.067 63.100 -0.104 0.000 0.808 249 P CB 0.012 31.627 31.700 -0.142 0.000 0.779 250 R N -1.336 119.160 120.500 -0.007 0.000 2.112 250 R HA 0.099 4.439 4.340 -0.000 0.000 0.216 250 R C 2.073 178.372 176.300 -0.002 0.000 1.080 250 R CA 0.680 56.777 56.100 -0.005 0.000 0.996 250 R CB -0.646 29.641 30.300 -0.021 0.000 0.902 250 R HN 0.146 nan 8.270 nan 0.000 0.449 251 I N 1.916 122.493 120.570 0.012 0.000 2.286 251 I HA -0.213 3.957 4.170 -0.000 0.000 0.248 251 I C 1.799 177.953 176.117 0.063 0.000 1.115 251 I CA 1.583 62.910 61.300 0.044 0.000 1.392 251 I CB -0.887 37.182 38.000 0.116 0.000 1.065 251 I HN 0.232 nan 8.210 nan 0.000 0.418 252 E N 0.719 120.971 120.200 0.087 0.000 2.265 252 E HA -0.115 4.235 4.350 -0.000 0.000 0.196 252 E C 1.709 178.334 176.600 0.042 0.000 0.996 252 E CA 1.060 57.509 56.400 0.081 0.000 0.832 252 E CB -0.050 29.721 29.700 0.119 0.000 0.756 252 E HN 0.457 nan 8.360 nan 0.000 0.491 253 A N 0.150 122.987 122.820 0.028 0.000 2.423 253 A HA 0.409 4.729 4.320 -0.000 0.000 0.246 253 A C 1.373 178.956 177.584 -0.001 0.000 1.278 253 A CA 0.408 52.449 52.037 0.007 0.000 0.903 253 A CB 0.037 19.041 19.000 0.007 0.000 0.997 253 A HN 0.233 nan 8.150 nan 0.000 0.510 254 G N -0.565 108.238 108.800 0.005 0.000 2.176 254 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.252 254 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.252 254 G C -0.155 174.750 174.900 0.008 0.000 1.024 254 G CA 0.308 45.413 45.100 0.008 0.000 0.755 254 G HN 0.485 nan 8.290 nan 0.000 0.507 255 Q N -0.663 119.130 119.800 -0.013 0.000 2.297 255 Q HA 0.579 4.919 4.340 -0.000 0.000 0.268 255 Q C -2.458 173.468 176.000 -0.124 0.000 1.045 255 Q CA -1.940 53.837 55.803 -0.043 0.000 0.861 255 Q CB 1.856 30.571 28.738 -0.038 0.000 1.344 255 Q HN 0.206 nan 8.270 nan 0.000 0.452 256 P HA 0.076 nan 4.420 nan 0.000 0.274 256 P C -0.267 176.821 177.300 -0.352 0.000 1.256 256 P CA -0.183 62.648 63.100 -0.449 0.000 0.795 256 P CB 0.281 31.359 31.700 -1.037 0.000 1.038 257 T N -2.505 111.807 114.554 -0.403 0.000 2.813 257 T HA 0.084 4.434 4.350 -0.000 0.000 0.297 257 T C 1.352 175.915 174.700 -0.229 0.000 1.036 257 T CA -0.506 61.389 62.100 -0.342 0.000 1.044 257 T CB -0.109 68.448 68.868 -0.519 0.000 0.993 257 T HN 0.037 nan 8.240 nan 0.000 0.535 258 V N 1.206 121.068 119.914 -0.086 0.000 2.287 258 V HA -0.229 3.891 4.120 -0.000 0.000 0.248 258 V C 3.125 179.185 176.094 -0.056 0.000 1.053 258 V CA 2.256 64.528 62.300 -0.047 0.000 1.027 258 V CB -1.352 30.493 31.823 0.037 0.000 0.646 258 V HN 1.201 nan 8.190 nan 0.000 0.447 259 C N -1.204 118.079 119.300 -0.029 0.000 2.432 259 C HA -0.040 4.420 4.460 -0.000 0.000 0.282 259 C C 2.822 177.794 174.990 -0.031 0.000 1.388 259 C CA 0.548 59.565 59.018 -0.002 0.000 1.777 259 C CB -1.344 26.422 27.740 0.044 0.000 1.882 259 C HN 0.475 nan 8.230 nan 0.000 0.520 260 S N 0.834 116.462 115.700 -0.121 0.000 2.356 260 S HA -0.112 4.358 4.470 -0.000 0.000 0.219 260 S C 1.942 176.461 174.600 -0.135 0.000 1.036 260 S CA 1.303 59.435 58.200 -0.114 0.000 0.965 260 S CB -0.456 62.582 63.200 -0.270 0.000 0.864 260 S HN 0.793 nan 8.310 nan 0.000 0.471 261 E N 0.821 120.819 120.200 -0.336 0.000 2.204 261 E HA -0.128 4.222 4.350 -0.000 0.000 0.194 261 E C 1.499 178.108 176.600 0.014 0.000 0.989 261 E CA 1.442 57.718 56.400 -0.207 0.000 0.824 261 E CB 0.018 29.584 29.700 -0.224 0.000 0.756 261 E HN 0.628 nan 8.360 nan 0.000 0.477 262 T N -1.887 112.662 114.554 -0.008 0.000 3.144 262 T HA 0.064 4.414 4.350 -0.000 0.000 0.249 262 T C 0.767 175.492 174.700 0.042 0.000 1.089 262 T CA -0.288 61.825 62.100 0.021 0.000 0.989 262 T CB -0.519 68.351 68.868 0.002 0.000 0.992 262 T HN 0.123 nan 8.240 nan 0.000 0.540 263 C N 2.803 122.139 119.300 0.060 0.000 2.667 263 C HA 0.330 4.790 4.460 -0.000 0.000 0.392 263 C C 2.091 177.115 174.990 0.057 0.000 1.332 263 C CA -0.570 58.484 59.018 0.061 0.000 1.594 263 C CB -1.560 26.225 27.740 0.076 0.000 2.345 263 C HN 0.505 nan 8.230 nan 0.000 0.594 264 V N 6.299 126.237 119.914 0.040 0.000 2.407 264 V HA -0.069 4.051 4.120 -0.000 0.000 0.248 264 V C 2.456 178.567 176.094 0.029 0.000 1.055 264 V CA 2.444 64.763 62.300 0.032 0.000 1.049 264 V CB -1.037 30.799 31.823 0.022 0.000 0.662 264 V HN 1.047 nan 8.190 nan 0.000 0.455 265 G N -0.676 108.142 108.800 0.030 0.000 2.650 265 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.214 265 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.214 265 G C 0.818 175.737 174.900 0.031 0.000 1.136 265 G CA 0.051 45.171 45.100 0.033 0.000 0.789 265 G HN 0.559 nan 8.290 nan 0.000 0.536 266 R N -0.751 119.760 120.500 0.019 0.000 3.332 266 R HA -0.193 4.147 4.340 -0.000 0.000 0.263 266 R C 1.125 177.399 176.300 -0.044 0.000 1.053 266 R CA 0.851 56.928 56.100 -0.039 0.000 0.705 266 R CB -2.519 27.753 30.300 -0.048 0.000 1.166 266 R HN 0.672 nan 8.270 nan 0.000 0.427 267 I N -3.110 117.472 120.570 0.021 0.000 4.070 267 I HA 0.138 4.308 4.170 -0.000 0.000 0.328 267 I C 0.371 176.588 176.117 0.166 0.000 1.298 267 I CA -0.053 61.328 61.300 0.135 0.000 1.173 267 I CB 0.317 38.411 38.000 0.157 0.000 1.051 267 I HN 0.051 nan 8.210 nan 0.000 0.409 268 R N 1.345 121.855 120.500 0.015 0.000 2.312 268 R HA 0.511 4.851 4.340 -0.000 0.000 0.311 268 R C -1.692 174.537 176.300 -0.119 0.000 1.004 268 R CA -0.448 55.702 56.100 0.084 0.000 0.902 268 R CB 1.057 31.436 30.300 0.132 0.000 1.073 268 R HN 0.159 nan 8.270 nan 0.000 0.457 269 Y N 2.363 122.723 120.300 0.101 0.000 2.409 269 Y HA 0.435 4.985 4.550 -0.000 0.000 0.343 269 Y C -0.051 175.928 175.900 0.131 0.000 0.973 269 Y CA -0.921 57.222 58.100 0.071 0.000 1.064 269 Y CB 1.879 40.361 38.460 0.036 0.000 1.207 269 Y HN 0.242 nan 8.280 nan 0.000 0.452 270 L N 2.856 124.256 121.223 0.295 0.000 2.356 270 L HA 0.906 5.246 4.340 -0.000 0.000 0.277 270 L C -0.023 176.945 176.870 0.163 0.000 0.996 270 L CA -0.623 54.358 54.840 0.233 0.000 0.822 270 L CB 2.064 44.265 42.059 0.237 0.000 1.256 270 L HN 0.853 nan 8.230 nan 0.000 0.413 271 G N 1.864 110.720 108.800 0.093 0.000 2.720 271 G HA2 0.539 4.499 3.960 -0.000 0.000 0.295 271 G HA3 0.539 4.499 3.960 -0.000 0.000 0.295 271 G C -1.413 173.480 174.900 -0.012 0.000 1.437 271 G CA -0.517 44.605 45.100 0.037 0.000 0.886 271 G HN 0.219 nan 8.290 nan 0.000 0.509 272 V N 0.949 120.852 119.914 -0.019 0.000 2.775 272 V HA 0.509 4.629 4.120 -0.000 0.000 0.299 272 V C 0.186 176.232 176.094 -0.080 0.000 1.062 272 V CA -0.074 62.205 62.300 -0.034 0.000 1.063 272 V CB 1.136 32.949 31.823 -0.017 0.000 0.994 272 V HN 0.549 nan 8.190 nan 0.000 0.483 273 L N 5.056 126.234 121.223 -0.076 0.000 2.436 273 L HA 0.565 4.905 4.340 -0.000 0.000 0.268 273 L C -0.872 176.035 176.870 0.063 0.000 0.974 273 L CA -0.443 54.338 54.840 -0.098 0.000 0.826 273 L CB 2.029 43.873 42.059 -0.359 0.000 1.291 273 L HN 0.415 nan 8.230 nan 0.000 0.406 274 L N 3.458 124.734 121.223 0.088 0.000 2.322 274 L HA 0.604 4.944 4.340 -0.000 0.000 0.279 274 L C -0.961 176.064 176.870 0.258 0.000 1.036 274 L CA -0.771 54.127 54.840 0.096 0.000 0.807 274 L CB 1.294 43.357 42.059 0.008 0.000 1.226 274 L HN 0.510 nan 8.230 nan 0.000 0.433 275 Y N -0.864 119.496 120.300 0.100 0.000 2.597 275 Y HA 0.473 5.023 4.550 -0.000 0.000 0.340 275 Y C -1.159 174.773 175.900 0.052 0.000 1.097 275 Y CA -1.503 56.669 58.100 0.118 0.000 1.037 275 Y CB 1.225 39.791 38.460 0.177 0.000 1.305 275 Y HN 0.412 nan 8.280 nan 0.000 0.463 276 D N 1.756 122.218 120.400 0.104 0.000 2.365 276 D HA 0.342 4.982 4.640 -0.000 0.000 0.237 276 D C 0.850 177.214 176.300 0.106 0.000 1.190 276 D CA 0.371 54.379 54.000 0.013 0.000 0.867 276 D CB 1.738 42.555 40.800 0.028 0.000 1.050 276 D HN 0.878 nan 8.370 nan 0.000 0.491 277 A N 4.078 126.901 122.820 0.005 0.000 2.024 277 A HA -0.164 4.156 4.320 -0.000 0.000 0.220 277 A C 1.511 179.152 177.584 0.096 0.000 1.164 277 A CA 1.063 53.185 52.037 0.142 0.000 0.643 277 A CB 0.004 19.034 19.000 0.050 0.000 0.806 277 A HN 0.536 nan 8.150 nan 0.000 0.451 278 D N -0.544 119.881 120.400 0.042 0.000 2.349 278 D HA 0.213 4.853 4.640 -0.000 0.000 0.224 278 D C 1.465 177.776 176.300 0.018 0.000 1.029 278 D CA 0.927 54.941 54.000 0.024 0.000 0.879 278 D CB 0.178 40.982 40.800 0.006 0.000 0.906 278 D HN 0.465 nan 8.370 nan 0.000 0.528 279 A N -0.152 122.687 122.820 0.032 0.000 2.348 279 A HA 0.189 4.509 4.320 -0.000 0.000 0.224 279 A C 1.998 179.577 177.584 -0.009 0.000 1.227 279 A CA -0.241 51.800 52.037 0.007 0.000 0.885 279 A CB -0.022 18.983 19.000 0.008 0.000 0.933 279 A HN 0.084 nan 8.150 nan 0.000 0.506 280 I N -0.252 120.323 120.570 0.009 0.000 2.202 280 I HA -0.250 3.920 4.170 -0.000 0.000 0.242 280 I C 2.450 178.522 176.117 -0.076 0.000 1.091 280 I CA 1.840 63.123 61.300 -0.029 0.000 1.368 280 I CB -0.206 37.794 38.000 0.000 0.000 1.058 280 I HN 0.559 nan 8.210 nan 0.000 0.410 281 E N 1.294 121.451 120.200 -0.073 0.000 2.070 281 E HA -0.333 4.016 4.350 -0.000 0.000 0.197 281 E C 2.295 178.831 176.600 -0.107 0.000 1.004 281 E CA 1.667 57.999 56.400 -0.113 0.000 0.805 281 E CB -0.045 29.606 29.700 -0.082 0.000 0.744 281 E HN 0.154 nan 8.360 nan 0.000 0.451 282 R N 0.728 121.185 120.500 -0.072 0.000 2.083 282 R HA -0.109 4.231 4.340 -0.000 0.000 0.237 282 R C 2.079 178.335 176.300 -0.073 0.000 1.137 282 R CA 2.057 58.119 56.100 -0.064 0.000 0.951 282 R CB -1.057 29.215 30.300 -0.046 0.000 0.851 282 R HN 0.268 nan 8.270 nan 0.000 0.434 283 A N 0.209 122.983 122.820 -0.077 0.000 1.902 283 A HA -0.021 4.299 4.320 -0.000 0.000 0.217 283 A C 2.357 179.889 177.584 -0.088 0.000 1.181 283 A CA 1.867 53.856 52.037 -0.081 0.000 0.623 283 A CB -1.091 17.853 19.000 -0.093 0.000 0.818 283 A HN 0.513 nan 8.150 nan 0.000 0.443 284 A N -0.932 121.817 122.820 -0.119 0.000 2.121 284 A HA 0.078 4.398 4.320 -0.000 0.000 0.218 284 A C 2.066 179.563 177.584 -0.146 0.000 1.154 284 A CA 1.592 53.539 52.037 -0.150 0.000 0.679 284 A CB -0.420 18.425 19.000 -0.259 0.000 0.795 284 A HN 0.405 nan 8.150 nan 0.000 0.458 285 S N -0.653 114.972 115.700 -0.126 0.000 2.575 285 S HA 0.067 4.537 4.470 -0.000 0.000 0.215 285 S C 0.902 175.468 174.600 -0.057 0.000 0.966 285 S CA 0.163 58.306 58.200 -0.096 0.000 0.911 285 S CB -0.287 62.857 63.200 -0.092 0.000 0.780 285 S HN 0.570 nan 8.310 nan 0.000 0.514 286 T N 2.187 116.710 114.554 -0.052 0.000 2.933 286 T HA -0.035 4.315 4.350 -0.000 0.000 0.306 286 T C 1.312 175.999 174.700 -0.022 0.000 1.045 286 T CA 0.275 62.354 62.100 -0.035 0.000 1.143 286 T CB 0.588 69.435 68.868 -0.034 0.000 1.003 286 T HN 0.534 nan 8.240 nan 0.000 0.540 287 E N 3.710 123.900 120.200 -0.016 0.000 2.038 287 E HA -0.200 4.150 4.350 -0.000 0.000 0.195 287 E C 0.786 177.384 176.600 -0.003 0.000 1.000 287 E CA 0.840 57.236 56.400 -0.008 0.000 0.803 287 E CB 0.003 29.698 29.700 -0.007 0.000 0.750 287 E HN 0.604 nan 8.360 nan 0.000 0.448 288 N N 0.855 119.553 118.700 -0.004 0.000 2.458 288 N HA -0.041 4.699 4.740 -0.000 0.000 0.270 288 N C 0.192 175.703 175.510 0.002 0.000 1.102 288 N CA 0.266 53.316 53.050 -0.000 0.000 0.967 288 N CB 1.323 39.809 38.487 -0.001 0.000 1.078 288 N HN 0.209 nan 8.380 nan 0.000 0.471 289 E N 2.537 122.740 120.200 0.005 0.000 2.130 289 E HA -0.182 4.168 4.350 -0.000 0.000 0.196 289 E C 0.609 177.212 176.600 0.006 0.000 0.998 289 E CA 1.346 57.750 56.400 0.007 0.000 0.806 289 E CB 0.235 29.938 29.700 0.005 0.000 0.738 289 E HN 0.578 nan 8.360 nan 0.000 0.459 290 K N 0.370 120.774 120.400 0.006 0.000 2.555 290 K HA -0.065 4.255 4.320 -0.000 0.000 0.193 290 K C 0.579 177.202 176.600 0.038 0.000 1.032 290 K CA 0.470 56.766 56.287 0.015 0.000 1.004 290 K CB 0.289 32.794 32.500 0.009 0.000 0.804 290 K HN 0.087 nan 8.250 nan 0.000 0.496 291 D N 0.463 120.876 120.400 0.021 0.000 2.367 291 D HA 0.046 4.686 4.640 -0.000 0.000 0.207 291 D C 1.675 177.979 176.300 0.006 0.000 1.034 291 D CA 0.217 54.223 54.000 0.010 0.000 0.861 291 D CB 0.278 41.072 40.800 -0.009 0.000 0.943 291 D HN 0.103 nan 8.370 nan 0.000 0.515 292 L N 0.488 121.724 121.223 0.022 0.000 2.042 292 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 292 L C 2.474 179.379 176.870 0.057 0.000 1.076 292 L CA 1.206 56.060 54.840 0.023 0.000 0.749 292 L CB -0.554 41.522 42.059 0.027 0.000 0.893 292 L HN 0.085 nan 8.230 nan 0.000 0.432 293 Y N 1.147 121.415 120.300 -0.053 0.000 2.049 293 Y HA -0.366 4.183 4.550 -0.000 0.000 0.277 293 Y C 2.729 178.637 175.900 0.013 0.000 1.143 293 Y CA 2.165 60.232 58.100 -0.055 0.000 1.115 293 Y CB -0.735 37.664 38.460 -0.103 0.000 0.975 293 Y HN 0.125 nan 8.280 nan 0.000 0.487 294 Q N 0.476 120.051 119.800 -0.375 0.000 2.124 294 Q HA -0.154 4.186 4.340 -0.000 0.000 0.202 294 Q C 2.150 178.006 176.000 -0.239 0.000 0.977 294 Q CA 1.751 57.293 55.803 -0.435 0.000 0.850 294 Q CB -0.237 28.347 28.738 -0.258 0.000 0.901 294 Q HN 0.288 nan 8.270 nan 0.000 0.429 295 R N -0.022 120.392 120.500 -0.144 0.000 2.120 295 R HA -0.127 4.213 4.340 -0.000 0.000 0.234 295 R C 2.087 178.288 176.300 -0.166 0.000 1.123 295 R CA 1.544 57.570 56.100 -0.123 0.000 0.975 295 R CB -0.529 29.721 30.300 -0.082 0.000 0.866 295 R HN 0.560 nan 8.270 nan 0.000 0.446 296 Q N 0.419 120.126 119.800 -0.154 0.000 2.083 296 Q HA -0.017 4.323 4.340 -0.000 0.000 0.198 296 Q C 2.156 177.828 176.000 -0.547 0.000 0.969 296 Q CA 0.835 56.480 55.803 -0.264 0.000 0.838 296 Q CB 0.037 28.764 28.738 -0.018 0.000 0.900 296 Q HN 0.266 nan 8.270 nan 0.000 0.436 297 L N 0.911 121.947 121.223 -0.313 0.000 2.127 297 L HA -0.221 4.119 4.340 -0.000 0.000 0.211 297 L C 1.660 178.378 176.870 -0.253 0.000 1.089 297 L CA 1.000 55.686 54.840 -0.258 0.000 0.757 297 L CB -0.373 41.589 42.059 -0.162 0.000 0.899 297 L HN 0.227 nan 8.230 nan 0.000 0.434 298 D N -0.429 119.836 120.400 -0.224 0.000 2.310 298 D HA -0.119 4.521 4.640 -0.000 0.000 0.212 298 D C 2.086 178.308 176.300 -0.130 0.000 0.965 298 D CA 1.337 55.252 54.000 -0.141 0.000 0.879 298 D CB 0.042 40.774 40.800 -0.114 0.000 0.921 298 D HN 0.377 nan 8.370 nan 0.000 0.510 299 V N -2.347 117.418 119.914 -0.248 0.000 3.406 299 V HA 0.118 4.238 4.120 -0.000 0.000 0.263 299 V C 0.437 176.538 176.094 0.011 0.000 1.172 299 V CA -0.025 62.190 62.300 -0.141 0.000 1.140 299 V CB -0.778 30.942 31.823 -0.172 0.000 0.784 299 V HN -0.241 nan 8.190 nan 0.000 0.467 300 F N 2.148 122.117 119.950 0.031 0.000 2.467 300 F HA 0.636 5.163 4.527 -0.000 0.000 0.362 300 F C 0.363 176.219 175.800 0.095 0.000 1.090 300 F CA -1.554 56.481 58.000 0.058 0.000 1.202 300 F CB 0.254 39.230 39.000 -0.039 0.000 1.113 300 F HN -0.008 nan 8.300 nan 0.000 0.541 301 L N 2.489 123.898 121.223 0.310 0.000 2.399 301 L HA 0.336 4.676 4.340 -0.000 0.000 0.265 301 L C 0.175 177.150 176.870 0.176 0.000 1.089 301 L CA -0.994 53.956 54.840 0.183 0.000 0.802 301 L CB 0.775 42.892 42.059 0.096 0.000 1.180 301 L HN 0.381 nan 8.230 nan 0.000 0.454 302 D N 3.117 123.575 120.400 0.098 0.000 2.352 302 D HA 0.104 4.744 4.640 -0.000 0.000 0.245 302 D C -1.502 174.731 176.300 -0.110 0.000 1.224 302 D CA -2.048 51.951 54.000 -0.002 0.000 0.879 302 D CB 1.248 42.068 40.800 0.033 0.000 1.057 302 D HN 0.230 nan 8.370 nan 0.000 0.491 303 P HA -0.102 nan 4.420 nan 0.000 0.228 303 P C 0.456 177.666 177.300 -0.151 0.000 1.151 303 P CA 0.590 63.572 63.100 -0.197 0.000 0.770 303 P CB 0.534 32.065 31.700 -0.282 0.000 0.786 304 N N -0.475 118.135 118.700 -0.150 0.000 2.325 304 N HA -0.017 4.723 4.740 -0.000 0.000 0.182 304 N C 0.496 175.970 175.510 -0.061 0.000 1.088 304 N CA 0.268 53.259 53.050 -0.098 0.000 0.879 304 N CB -0.136 38.293 38.487 -0.097 0.000 0.983 304 N HN 0.212 nan 8.380 nan 0.000 0.471 305 D N 1.967 122.335 120.400 -0.052 0.000 2.371 305 D HA 0.057 4.697 4.640 -0.000 0.000 0.256 305 D C -1.614 174.668 176.300 -0.030 0.000 1.193 305 D CA -1.639 52.343 54.000 -0.030 0.000 0.881 305 D CB 1.900 42.690 40.800 -0.018 0.000 1.143 305 D HN -0.017 nan 8.370 nan 0.000 0.473 306 P HA -0.179 nan 4.420 nan 0.000 0.216 306 P C 1.161 178.448 177.300 -0.022 0.000 1.150 306 P CA 1.275 64.361 63.100 -0.023 0.000 0.843 306 P CB 0.347 32.036 31.700 -0.018 0.000 0.787 307 K N -0.675 119.714 120.400 -0.019 0.000 2.057 307 K HA -0.023 4.297 4.320 -0.000 0.000 0.206 307 K C 2.085 178.672 176.600 -0.021 0.000 1.050 307 K CA 0.889 57.165 56.287 -0.018 0.000 0.935 307 K CB -1.392 31.100 32.500 -0.013 0.000 0.715 307 K HN 0.094 nan 8.250 nan 0.000 0.439 308 V N 2.114 122.014 119.914 -0.022 0.000 2.287 308 V HA -0.239 3.881 4.120 -0.000 0.000 0.248 308 V C 2.399 178.472 176.094 -0.034 0.000 1.053 308 V CA 1.555 63.839 62.300 -0.026 0.000 1.027 308 V CB -0.418 31.391 31.823 -0.024 0.000 0.646 308 V HN 0.184 nan 8.190 nan 0.000 0.447 309 I N -0.160 120.388 120.570 -0.037 0.000 2.127 309 I HA -0.308 3.862 4.170 -0.000 0.000 0.241 309 I C 2.627 178.722 176.117 -0.036 0.000 1.075 309 I CA 2.170 63.447 61.300 -0.040 0.000 1.334 309 I CB -0.462 37.516 38.000 -0.038 0.000 1.040 309 I HN 0.438 nan 8.210 nan 0.000 0.405 310 E N 0.641 120.822 120.200 -0.031 0.000 2.049 310 E HA -0.346 4.004 4.350 -0.000 0.000 0.198 310 E C 2.193 178.775 176.600 -0.031 0.000 1.007 310 E CA 1.796 58.179 56.400 -0.028 0.000 0.809 310 E CB -0.033 29.653 29.700 -0.023 0.000 0.749 310 E HN 0.312 nan 8.360 nan 0.000 0.450 311 Q N 0.416 120.197 119.800 -0.031 0.000 2.124 311 Q HA -0.093 4.247 4.340 -0.000 0.000 0.202 311 Q C 1.811 177.786 176.000 -0.043 0.000 0.977 311 Q CA 1.910 57.693 55.803 -0.034 0.000 0.850 311 Q CB -0.481 28.238 28.738 -0.032 0.000 0.901 311 Q HN 0.357 nan 8.270 nan 0.000 0.429 312 A N 0.270 123.062 122.820 -0.046 0.000 1.883 312 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 312 A C 2.162 179.715 177.584 -0.052 0.000 1.186 312 A CA 1.620 53.624 52.037 -0.055 0.000 0.624 312 A CB -0.826 18.142 19.000 -0.054 0.000 0.822 312 A HN 0.473 nan 8.150 nan 0.000 0.444 313 I N -0.551 119.991 120.570 -0.046 0.000 2.226 313 I HA -0.293 3.877 4.170 -0.000 0.000 0.245 313 I C 2.472 178.563 176.117 -0.044 0.000 1.100 313 I CA 1.723 62.995 61.300 -0.046 0.000 1.374 313 I CB -0.307 37.668 38.000 -0.041 0.000 1.057 313 I HN 0.320 nan 8.210 nan 0.000 0.413 314 K N 0.357 120.733 120.400 -0.039 0.000 2.103 314 K HA -0.184 4.136 4.320 -0.000 0.000 0.207 314 K C 1.191 177.768 176.600 -0.038 0.000 1.048 314 K CA 1.289 57.555 56.287 -0.035 0.000 0.930 314 K CB -0.164 32.318 32.500 -0.031 0.000 0.716 314 K HN 0.266 nan 8.250 nan 0.000 0.444 315 D N -0.565 119.809 120.400 -0.044 0.000 2.352 315 D HA 0.022 4.662 4.640 -0.000 0.000 0.232 315 D C 0.906 177.177 176.300 -0.049 0.000 1.055 315 D CA 0.748 54.719 54.000 -0.048 0.000 0.891 315 D CB 0.583 41.347 40.800 -0.061 0.000 0.897 315 D HN 0.458 nan 8.370 nan 0.000 0.529 316 G N 0.576 109.347 108.800 -0.048 0.000 2.175 316 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.244 316 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.244 316 G C 0.276 175.144 174.900 -0.054 0.000 0.982 316 G CA -0.427 44.644 45.100 -0.049 0.000 0.641 316 G HN 0.244 nan 8.290 nan 0.000 0.527 317 I N 1.821 122.357 120.570 -0.056 0.000 2.452 317 I HA 0.268 4.438 4.170 -0.000 0.000 0.287 317 I C -1.708 174.373 176.117 -0.061 0.000 1.079 317 I CA -2.653 58.616 61.300 -0.051 0.000 1.387 317 I CB 0.180 38.149 38.000 -0.052 0.000 1.404 317 I HN -0.115 nan 8.210 nan 0.000 0.522 318 P HA 0.029 nan 4.420 nan 0.000 0.269 318 P C 0.897 178.162 177.300 -0.058 0.000 1.209 318 P CA -0.389 62.636 63.100 -0.124 0.000 0.776 318 P CB 0.794 32.382 31.700 -0.188 0.000 0.876 319 L N 3.454 124.640 121.223 -0.061 0.000 2.079 319 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 319 L C 2.063 178.939 176.870 0.011 0.000 1.081 319 L CA 2.431 57.256 54.840 -0.025 0.000 0.752 319 L CB -1.365 40.680 42.059 -0.023 0.000 0.896 319 L HN 0.430 nan 8.230 nan 0.000 0.433 320 S N -2.176 113.560 115.700 0.059 0.000 2.399 320 S HA -0.144 4.326 4.470 -0.000 0.000 0.231 320 S C 1.890 176.530 174.600 0.068 0.000 1.022 320 S CA 1.288 59.546 58.200 0.097 0.000 0.983 320 S CB -1.108 62.218 63.200 0.211 0.000 0.803 320 S HN 0.265 nan 8.310 nan 0.000 0.480 321 V N 1.881 121.834 119.914 0.065 0.000 2.453 321 V HA -0.023 4.097 4.120 -0.000 0.000 0.247 321 V C 2.392 178.487 176.094 0.001 0.000 1.048 321 V CA 1.465 63.788 62.300 0.039 0.000 1.049 321 V CB -0.692 31.155 31.823 0.040 0.000 0.672 321 V HN 0.475 nan 8.190 nan 0.000 0.457 322 I N 0.044 120.607 120.570 -0.012 0.000 2.252 322 I HA -0.226 3.944 4.170 -0.000 0.000 0.245 322 I C 2.503 178.594 176.117 -0.043 0.000 1.102 322 I CA 1.578 62.855 61.300 -0.037 0.000 1.385 322 I CB -0.367 37.609 38.000 -0.040 0.000 1.064 322 I HN 0.367 nan 8.210 nan 0.000 0.414 323 E N 0.963 121.150 120.200 -0.022 0.000 2.153 323 E HA -0.191 4.159 4.350 -0.000 0.000 0.194 323 E C 2.328 178.915 176.600 -0.022 0.000 0.988 323 E CA 1.182 57.570 56.400 -0.021 0.000 0.811 323 E CB -0.177 29.523 29.700 -0.001 0.000 0.746 323 E HN 0.524 nan 8.360 nan 0.000 0.466 324 A N 1.555 124.370 122.820 -0.009 0.000 1.898 324 A HA -0.058 4.262 4.320 -0.000 0.000 0.216 324 A C 2.414 179.976 177.584 -0.035 0.000 1.181 324 A CA 1.466 53.501 52.037 -0.004 0.000 0.620 324 A CB -0.572 18.437 19.000 0.015 0.000 0.819 324 A HN 0.283 nan 8.150 nan 0.000 0.442 325 A N -0.453 122.331 122.820 -0.060 0.000 1.972 325 A HA -0.215 4.105 4.320 -0.000 0.000 0.219 325 A C 2.021 179.493 177.584 -0.188 0.000 1.169 325 A CA 1.609 53.577 52.037 -0.114 0.000 0.635 325 A CB -0.544 18.386 19.000 -0.116 0.000 0.810 325 A HN 0.681 nan 8.150 nan 0.000 0.446 326 Q N -1.013 118.695 119.800 -0.153 0.000 2.436 326 Q HA -0.051 4.289 4.340 -0.000 0.000 0.209 326 Q C 0.892 176.812 176.000 -0.134 0.000 0.965 326 Q CA 0.786 56.483 55.803 -0.177 0.000 0.910 326 Q CB 0.101 28.769 28.738 -0.116 0.000 0.980 326 Q HN 0.585 nan 8.270 nan 0.000 0.491 327 Q N -0.340 119.412 119.800 -0.081 0.000 2.179 327 Q HA 0.153 4.493 4.340 -0.000 0.000 0.213 327 Q C -0.122 175.868 176.000 -0.017 0.000 0.833 327 Q CA -0.012 55.778 55.803 -0.021 0.000 0.990 327 Q CB 1.182 29.937 28.738 0.028 0.000 1.132 327 Q HN 0.031 nan 8.270 nan 0.000 0.493 328 S N 3.725 119.380 115.700 -0.076 0.000 2.509 328 S HA 0.073 4.543 4.470 -0.000 0.000 0.287 328 S C -1.240 173.300 174.600 -0.100 0.000 1.248 328 S CA -0.991 57.173 58.200 -0.060 0.000 1.089 328 S CB 0.680 63.831 63.200 -0.081 0.000 0.900 328 S HN 0.097 nan 8.310 nan 0.000 0.496 329 P HA -0.051 nan 4.420 nan 0.000 0.221 329 P C 1.460 178.635 177.300 -0.207 0.000 1.150 329 P CA 0.607 63.616 63.100 -0.152 0.000 0.800 329 P CB 0.055 31.864 31.700 0.182 0.000 0.787 330 V N -0.704 119.142 119.914 -0.114 0.000 2.427 330 V HA -0.234 3.886 4.120 -0.000 0.000 0.248 330 V C 2.593 178.522 176.094 -0.275 0.000 1.051 330 V CA 1.588 63.784 62.300 -0.173 0.000 1.048 330 V CB -1.428 30.304 31.823 -0.151 0.000 0.666 330 V HN -0.008 nan 8.190 nan 0.000 0.456 331 Y N 1.236 121.311 120.300 -0.375 0.000 2.145 331 Y HA -0.249 4.301 4.550 -0.000 0.000 0.286 331 Y C 2.512 178.143 175.900 -0.448 0.000 1.145 331 Y CA 1.930 59.789 58.100 -0.401 0.000 1.148 331 Y CB -0.100 38.163 38.460 -0.329 0.000 0.981 331 Y HN 0.165 nan 8.280 nan 0.000 0.507 332 K N -0.400 119.760 120.400 -0.400 0.000 2.063 332 K HA -0.217 4.103 4.320 -0.000 0.000 0.208 332 K C 2.098 178.110 176.600 -0.979 0.000 1.048 332 K CA 2.103 57.846 56.287 -0.908 0.000 0.928 332 K CB -0.274 31.384 32.500 -1.402 0.000 0.713 332 K HN 0.405 nan 8.250 nan 0.000 0.442 333 M N 0.049 119.303 119.600 -0.575 0.000 2.200 333 M HA -0.100 4.380 4.480 -0.000 0.000 0.265 333 M C 2.372 178.626 176.300 -0.077 0.000 1.066 333 M CA 1.462 56.660 55.300 -0.170 0.000 1.127 333 M CB -0.130 32.419 32.600 -0.086 0.000 1.379 333 M HN 0.225 nan 8.290 nan 0.000 0.420 334 A N -0.198 122.513 122.820 -0.182 0.000 1.878 334 A HA -0.008 4.312 4.320 -0.000 0.000 0.213 334 A C 2.096 179.622 177.584 -0.097 0.000 1.192 334 A CA 0.951 52.953 52.037 -0.059 0.000 0.619 334 A CB -0.163 18.640 19.000 -0.328 0.000 0.837 334 A HN 0.307 nan 8.150 nan 0.000 0.446 335 M N -1.042 118.318 119.600 -0.399 0.000 2.299 335 M HA 0.071 4.551 4.480 -0.000 0.000 0.264 335 M C 2.047 178.161 176.300 -0.311 0.000 1.095 335 M CA 1.303 56.333 55.300 -0.449 0.000 1.165 335 M CB -1.085 30.887 32.600 -1.048 0.000 1.349 335 M HN 0.613 nan 8.290 nan 0.000 0.446 336 E N -0.549 119.417 120.200 -0.391 0.000 2.030 336 E HA -0.129 4.221 4.350 -0.000 0.000 0.189 336 E C 1.819 178.375 176.600 -0.072 0.000 0.974 336 E CA 0.755 56.986 56.400 -0.281 0.000 0.807 336 E CB 0.252 29.664 29.700 -0.481 0.000 0.771 336 E HN 0.434 nan 8.360 nan 0.000 0.451 337 W N 0.793 122.070 121.300 -0.040 0.000 2.770 337 W HA 0.130 4.790 4.660 -0.000 0.000 0.256 337 W C 0.303 176.829 176.519 0.013 0.000 1.291 337 W CA 0.113 57.448 57.345 -0.017 0.000 1.396 337 W CB 0.137 29.579 29.460 -0.030 0.000 1.114 337 W HN 0.053 nan 8.180 nan 0.000 0.637 338 K N -0.069 120.452 120.400 0.201 0.000 3.117 338 K HA -0.210 4.110 4.320 -0.000 0.000 0.269 338 K C 0.660 177.381 176.600 0.203 0.000 1.098 338 K CA 0.706 57.115 56.287 0.204 0.000 0.785 338 K CB -2.184 30.428 32.500 0.186 0.000 1.242 338 K HN 0.330 nan 8.250 nan 0.000 0.491 339 L N -1.078 120.274 121.223 0.216 0.000 2.298 339 L HA 0.130 4.470 4.340 -0.000 0.000 0.209 339 L C 1.201 178.168 176.870 0.161 0.000 1.084 339 L CA 0.763 55.706 54.840 0.172 0.000 0.816 339 L CB 0.052 42.221 42.059 0.184 0.000 0.967 339 L HN 0.281 nan 8.230 nan 0.000 0.460 340 A N 0.991 123.942 122.820 0.219 0.000 2.309 340 A HA 0.699 5.019 4.320 -0.000 0.000 0.298 340 A C -0.567 177.240 177.584 0.373 0.000 1.165 340 A CA -0.237 51.978 52.037 0.296 0.000 0.821 340 A CB 0.536 19.737 19.000 0.334 0.000 1.102 340 A HN 0.157 nan 8.150 nan 0.000 0.500 341 L N 3.066 124.370 121.223 0.136 0.000 2.371 341 L HA 0.548 4.888 4.340 -0.000 0.000 0.262 341 L C -2.335 174.097 176.870 -0.729 0.000 1.006 341 L CA -2.333 52.287 54.840 -0.367 0.000 0.818 341 L CB 2.755 44.574 42.059 -0.399 0.000 1.354 341 L HN 0.499 nan 8.230 nan 0.000 0.415 342 P HA 0.099 nan 4.420 nan 0.000 0.274 342 P C -1.058 175.981 177.300 -0.434 0.000 1.237 342 P CA -0.458 61.907 63.100 -1.226 0.000 0.793 342 P CB 1.394 32.460 31.700 -1.057 0.000 0.977 343 L N 3.891 125.042 121.223 -0.120 0.000 2.265 343 L HA 0.297 4.636 4.340 -0.000 0.000 0.288 343 L C 0.233 177.132 176.870 0.049 0.000 1.058 343 L CA -0.158 54.667 54.840 -0.025 0.000 0.809 343 L CB -0.967 41.234 42.059 0.236 0.000 1.179 343 L HN 0.406 nan 8.230 nan 0.000 0.429 344 H N 5.157 124.142 119.070 -0.142 0.000 2.499 344 H HA -0.117 4.439 4.556 -0.000 0.000 0.321 344 H C -1.783 173.325 175.328 -0.367 0.000 1.026 344 H CA 0.782 56.565 56.048 -0.443 0.000 1.077 344 H CB -0.706 28.489 29.762 -0.945 0.000 1.612 344 H HN 0.627 nan 8.280 nan 0.000 0.374 345 P HA -0.151 nan 4.420 nan 0.000 0.223 345 P C 1.432 178.722 177.300 -0.017 0.000 1.151 345 P CA 1.280 64.355 63.100 -0.042 0.000 0.787 345 P CB 0.297 31.955 31.700 -0.070 0.000 0.788 346 E N -0.426 119.715 120.200 -0.097 0.000 2.401 346 E HA -0.192 4.158 4.350 -0.000 0.000 0.199 346 E C 1.147 177.818 176.600 0.119 0.000 1.023 346 E CA 0.968 57.356 56.400 -0.019 0.000 0.859 346 E CB -1.058 28.616 29.700 -0.044 0.000 0.780 346 E HN 0.268 nan 8.360 nan 0.000 0.523 347 Y N 1.260 121.610 120.300 0.083 0.000 2.509 347 Y HA 0.120 4.670 4.550 -0.000 0.000 0.293 347 Y C 1.017 177.048 175.900 0.218 0.000 1.133 347 Y CA 0.529 58.681 58.100 0.087 0.000 1.283 347 Y CB -0.290 38.167 38.460 -0.004 0.000 1.001 347 Y HN 0.038 nan 8.280 nan 0.000 0.555 348 R N -0.907 119.777 120.500 0.307 0.000 3.774 348 R HA -0.178 4.162 4.340 -0.000 0.000 0.320 348 R C 0.912 177.331 176.300 0.199 0.000 1.175 348 R CA 0.914 57.127 56.100 0.188 0.000 0.849 348 R CB -2.598 27.763 30.300 0.102 0.000 1.365 348 R HN 0.487 nan 8.270 nan 0.000 0.502 349 T N -2.563 112.205 114.554 0.356 0.000 3.060 349 T HA 0.255 4.605 4.350 -0.000 0.000 0.249 349 T C 0.632 175.475 174.700 0.237 0.000 1.079 349 T CA 0.210 62.538 62.100 0.379 0.000 1.013 349 T CB 0.301 69.476 68.868 0.512 0.000 0.975 349 T HN 0.175 nan 8.240 nan 0.000 0.518 350 L N 1.622 122.966 121.223 0.202 0.000 3.671 350 L HA -0.067 4.273 4.340 -0.000 0.000 0.609 350 L C -2.179 174.834 176.870 0.238 0.000 1.251 350 L CA 0.048 54.992 54.840 0.173 0.000 0.934 350 L CB -1.614 40.475 42.059 0.051 0.000 1.496 350 L HN 0.315 nan 8.230 nan 0.000 0.854 351 P HA 0.015 nan 4.420 nan 0.000 0.269 351 P C 0.557 178.117 177.300 0.433 0.000 1.215 351 P CA 0.006 63.284 63.100 0.298 0.000 0.780 351 P CB 0.688 32.540 31.700 0.254 0.000 0.898 352 M N 0.838 120.587 119.600 0.248 0.000 2.347 352 M HA 0.144 4.624 4.480 -0.000 0.000 0.302 352 M C -0.186 176.188 176.300 0.123 0.000 1.051 352 M CA -0.078 55.306 55.300 0.140 0.000 0.988 352 M CB 0.263 32.848 32.600 -0.025 0.000 1.475 352 M HN 0.011 nan 8.290 nan 0.000 0.530 353 V N 1.126 121.198 119.914 0.263 0.000 2.304 353 V HA 0.283 4.403 4.120 -0.000 0.000 0.278 353 V C -0.921 175.342 176.094 0.282 0.000 1.018 353 V CA -0.634 61.768 62.300 0.169 0.000 0.814 353 V CB 1.063 32.947 31.823 0.101 0.000 1.021 353 V HN 0.293 nan 8.190 nan 0.000 0.440 354 W N 3.761 124.964 121.300 -0.162 0.000 2.485 354 W HA 0.705 5.365 4.660 -0.000 0.000 0.364 354 W C -0.485 175.832 176.519 -0.336 0.000 1.171 354 W CA -1.309 55.976 57.345 -0.100 0.000 1.304 354 W CB 0.833 30.305 29.460 0.021 0.000 1.335 354 W HN 0.393 nan 8.180 nan 0.000 0.643 355 Y N -0.228 120.207 120.300 0.224 0.000 2.477 355 Y HA 0.503 5.053 4.550 -0.000 0.000 0.347 355 Y C -0.271 175.686 175.900 0.096 0.000 0.981 355 Y CA -1.345 56.837 58.100 0.136 0.000 1.033 355 Y CB 1.491 39.990 38.460 0.065 0.000 1.245 355 Y HN -0.130 nan 8.280 nan 0.000 0.455 356 V N 5.537 125.604 119.914 0.255 0.000 2.407 356 V HA 0.341 4.460 4.120 -0.000 0.000 0.278 356 V C -2.063 174.121 176.094 0.149 0.000 1.037 356 V CA -2.083 60.316 62.300 0.165 0.000 0.900 356 V CB 1.193 33.098 31.823 0.136 0.000 0.983 356 V HN 0.532 nan 8.190 nan 0.000 0.459 357 P HA 0.256 nan 4.420 nan 0.000 0.272 357 P C -2.765 174.570 177.300 0.060 0.000 1.223 357 P CA -1.512 61.618 63.100 0.051 0.000 0.784 357 P CB 0.478 32.177 31.700 -0.002 0.000 0.923 358 P HA 0.314 nan 4.420 nan 0.000 0.286 358 P C -0.151 177.165 177.300 0.026 0.000 1.261 358 P CA -0.346 62.788 63.100 0.057 0.000 0.821 358 P CB 1.199 32.941 31.700 0.070 0.000 1.013 359 L N 1.350 122.594 121.223 0.035 0.000 2.490 359 L HA 0.535 4.875 4.340 -0.000 0.000 0.245 359 L C 1.064 177.943 176.870 0.015 0.000 1.185 359 L CA -0.091 54.761 54.840 0.020 0.000 0.813 359 L CB 0.584 42.662 42.059 0.032 0.000 1.233 359 L HN 0.623 nan 8.230 nan 0.000 0.489 360 S N -1.717 113.986 115.700 0.006 0.000 2.587 360 S HA 0.535 5.005 4.470 -0.000 0.000 0.269 360 S C -2.964 171.641 174.600 0.009 0.000 1.154 360 S CA -1.266 56.938 58.200 0.006 0.000 0.824 360 S CB 1.230 64.414 63.200 -0.027 0.000 1.118 360 S HN 0.245 nan 8.310 nan 0.000 0.462 361 P HA 0.277 nan 4.420 nan 0.000 0.268 361 P C 0.104 177.410 177.300 0.009 0.000 1.208 361 P CA -0.530 62.579 63.100 0.015 0.000 0.777 361 P CB 0.062 31.771 31.700 0.016 0.000 0.875 362 I N -1.543 119.033 120.570 0.010 0.000 3.060 362 I HA 0.121 4.291 4.170 -0.000 0.000 0.285 362 I C 0.214 176.336 176.117 0.009 0.000 1.190 362 I CA -0.688 60.617 61.300 0.008 0.000 1.363 362 I CB 0.007 38.013 38.000 0.010 0.000 1.396 362 I HN 0.299 nan 8.210 nan 0.000 0.607 363 Q N 2.432 122.239 119.800 0.011 0.000 2.395 363 Q HA 0.164 4.504 4.340 -0.000 0.000 0.271 363 Q C -0.233 175.771 176.000 0.007 0.000 1.026 363 Q CA -0.062 55.750 55.803 0.015 0.000 0.900 363 Q CB 0.680 29.428 28.738 0.016 0.000 1.266 363 Q HN 0.700 nan 8.270 nan 0.000 0.430 364 S N 0.212 115.912 115.700 0.001 0.000 2.580 364 S HA 0.413 4.883 4.470 -0.000 0.000 0.274 364 S C 0.170 174.769 174.600 -0.002 0.000 1.329 364 S CA 0.087 58.285 58.200 -0.005 0.000 1.036 364 S CB 1.339 64.529 63.200 -0.017 0.000 0.919 364 S HN 0.754 nan 8.310 nan 0.000 0.515 365 A N 1.490 124.311 122.820 0.002 0.000 1.827 365 A HA 0.691 5.011 4.320 -0.000 0.000 0.196 365 A C 1.142 178.730 177.584 0.006 0.000 1.833 365 A CA 0.925 52.964 52.037 0.002 0.000 1.363 365 A CB -0.749 18.253 19.000 0.003 0.000 1.439 365 A HN 1.764 nan 8.150 nan 0.000 0.391 366 A N 0.173 122.999 122.820 0.010 0.000 3.242 366 A HA -0.168 4.152 4.320 -0.000 0.000 0.229 366 A C -0.142 177.448 177.584 0.010 0.000 0.719 366 A CA 1.017 53.061 52.037 0.012 0.000 1.488 366 A CB -2.575 16.432 19.000 0.012 0.000 1.153 366 A HN 0.823 nan 8.150 nan 0.000 0.681 367 D N 1.075 121.479 120.400 0.007 0.000 2.402 367 D HA 0.533 5.173 4.640 -0.000 0.000 0.235 367 D C 1.103 177.407 176.300 0.008 0.000 1.226 367 D CA 0.446 54.450 54.000 0.007 0.000 0.918 367 D CB 0.853 41.656 40.800 0.005 0.000 1.043 367 D HN 0.931 nan 8.370 nan 0.000 0.506 368 A N 2.916 125.741 122.820 0.009 0.000 2.159 368 A HA 0.022 4.342 4.320 -0.000 0.000 0.222 368 A C 1.444 179.034 177.584 0.009 0.000 1.163 368 A CA 1.303 53.346 52.037 0.010 0.000 0.664 368 A CB -0.991 18.015 19.000 0.010 0.000 0.803 368 A HN 1.032 nan 8.150 nan 0.000 0.470 369 G N -0.935 107.870 108.800 0.008 0.000 2.804 369 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.230 369 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.230 369 G C -0.372 174.534 174.900 0.009 0.000 1.386 369 G CA 0.147 45.252 45.100 0.008 0.000 0.875 369 G HN 1.410 nan 8.290 nan 0.000 0.557 370 E N -1.539 118.667 120.200 0.010 0.000 2.423 370 E HA 0.734 5.084 4.350 -0.000 0.000 0.269 370 E C -0.391 176.217 176.600 0.014 0.000 0.948 370 E CA -1.332 55.075 56.400 0.011 0.000 0.802 370 E CB 1.287 30.993 29.700 0.010 0.000 1.339 370 E HN 0.521 nan 8.360 nan 0.000 0.445 371 L N 0.920 122.152 121.223 0.016 0.000 2.536 371 L HA 0.236 4.576 4.340 -0.000 0.000 0.294 371 L C 0.740 177.623 176.870 0.021 0.000 1.257 371 L CA 1.686 56.539 54.840 0.022 0.000 0.850 371 L CB 0.320 42.394 42.059 0.025 0.000 1.105 371 L HN 0.800 nan 8.230 nan 0.000 0.517 372 G N 0.033 108.848 108.800 0.025 0.000 3.251 372 G HA2 0.391 4.351 3.960 -0.000 0.000 0.248 372 G HA3 0.391 4.351 3.960 -0.000 0.000 0.248 372 G C 0.538 175.446 174.900 0.015 0.000 1.320 372 G CA 0.225 45.335 45.100 0.016 0.000 0.982 372 G HN 0.511 nan 8.290 nan 0.000 0.575 373 S N 0.255 115.952 115.700 -0.006 0.000 2.400 373 S HA -0.107 4.363 4.470 -0.000 0.000 0.232 373 S C 1.543 176.108 174.600 -0.057 0.000 1.025 373 S CA 1.059 59.237 58.200 -0.036 0.000 0.993 373 S CB -0.138 63.027 63.200 -0.058 0.000 0.808 373 S HN 0.482 nan 8.310 nan 0.000 0.478 374 N N 0.779 119.476 118.700 -0.005 0.000 2.295 374 N HA 0.270 5.010 4.740 -0.000 0.000 0.221 374 N C 1.044 176.680 175.510 0.210 0.000 1.129 374 N CA 0.609 53.719 53.050 0.100 0.000 0.836 374 N CB 0.404 38.939 38.487 0.081 0.000 1.040 374 N HN 0.413 nan 8.380 nan 0.000 0.494 375 G N 2.234 111.114 108.800 0.133 0.000 2.561 375 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.289 375 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.289 375 G C 0.980 175.918 174.900 0.063 0.000 1.169 375 G CA 0.370 45.528 45.100 0.097 0.000 0.980 375 G HN 0.368 nan 8.290 nan 0.000 0.550 376 I N -0.099 120.500 120.570 0.048 0.000 2.928 376 I HA 0.382 4.552 4.170 -0.000 0.000 0.266 376 I C 1.229 177.369 176.117 0.038 0.000 1.234 376 I CA 0.289 61.609 61.300 0.033 0.000 1.483 376 I CB -0.331 37.681 38.000 0.019 0.000 1.097 376 I HN 0.278 nan 8.210 nan 0.000 0.455 377 L N 1.963 123.220 121.223 0.056 0.000 2.418 377 L HA 0.420 4.760 4.340 -0.000 0.000 0.265 377 L C -2.076 174.825 176.870 0.053 0.000 1.143 377 L CA -1.952 52.922 54.840 0.057 0.000 0.809 377 L CB -0.051 42.055 42.059 0.078 0.000 1.124 377 L HN -0.129 nan 8.230 nan 0.000 0.456 378 P HA 0.024 nan 4.420 nan 0.000 0.268 378 P C -1.284 176.031 177.300 0.026 0.000 1.208 378 P CA -0.075 63.043 63.100 0.029 0.000 0.777 378 P CB 0.491 32.206 31.700 0.024 0.000 0.875 379 D N 0.477 120.886 120.400 0.014 0.000 2.185 379 D HA 0.047 4.687 4.640 -0.000 0.000 0.247 379 D C 1.251 177.552 176.300 0.002 0.000 1.027 379 D CA -0.521 53.482 54.000 0.004 0.000 0.861 379 D CB 2.099 42.899 40.800 -0.000 0.000 1.202 379 D HN 0.018 nan 8.370 nan 0.000 0.453 380 V N 2.800 122.713 119.914 -0.002 0.000 2.370 380 V HA -0.312 3.808 4.120 -0.000 0.000 0.252 380 V C 1.531 177.621 176.094 -0.006 0.000 1.068 380 V CA 2.140 64.438 62.300 -0.004 0.000 1.061 380 V CB -0.161 31.659 31.823 -0.006 0.000 0.656 380 V HN 0.460 nan 8.190 nan 0.000 0.455 381 E N 0.665 120.863 120.200 -0.004 0.000 2.333 381 E HA -0.100 4.250 4.350 -0.000 0.000 0.198 381 E C 2.074 178.674 176.600 0.001 0.000 1.007 381 E CA 1.220 57.619 56.400 -0.002 0.000 0.845 381 E CB -0.266 29.434 29.700 0.000 0.000 0.766 381 E HN 0.854 nan 8.360 nan 0.000 0.507 382 S N -0.404 115.296 115.700 0.001 0.000 2.556 382 S HA 0.159 4.629 4.470 -0.000 0.000 0.216 382 S C 0.598 175.198 174.600 -0.000 0.000 0.970 382 S CA -0.414 57.788 58.200 0.003 0.000 0.912 382 S CB -0.180 63.023 63.200 0.006 0.000 0.790 382 S HN 0.044 nan 8.310 nan 0.000 0.504 383 L N 3.026 124.244 121.223 -0.009 0.000 2.453 383 L HA 0.256 4.596 4.340 -0.000 0.000 0.272 383 L C 2.045 178.894 176.870 -0.034 0.000 1.182 383 L CA -0.486 54.341 54.840 -0.022 0.000 0.858 383 L CB 0.464 42.503 42.059 -0.034 0.000 1.120 383 L HN 0.379 nan 8.230 nan 0.000 0.474 384 R N 3.417 123.896 120.500 -0.035 0.000 2.235 384 R HA 0.057 4.397 4.340 -0.000 0.000 0.213 384 R C 0.387 176.588 176.300 -0.166 0.000 1.059 384 R CA 0.633 56.718 56.100 -0.025 0.000 0.997 384 R CB -0.191 30.123 30.300 0.023 0.000 0.884 384 R HN 0.483 nan 8.270 nan 0.000 0.462 385 I N 4.751 125.145 120.570 -0.294 0.000 2.379 385 I HA 0.162 4.331 4.170 -0.000 0.000 0.290 385 I C -1.833 174.014 176.117 -0.450 0.000 1.063 385 I CA -2.531 58.377 61.300 -0.654 0.000 1.351 385 I CB 1.197 38.891 38.000 -0.511 0.000 1.410 385 I HN -0.013 nan 8.210 nan 0.000 0.505 386 P HA -0.070 nan 4.420 nan 0.000 0.262 386 P C 0.764 177.986 177.300 -0.130 0.000 1.199 386 P CA 0.266 63.250 63.100 -0.194 0.000 0.763 386 P CB 1.367 32.977 31.700 -0.150 0.000 0.790 387 V N 3.284 123.159 119.914 -0.066 0.000 2.594 387 V HA -0.248 3.872 4.120 -0.000 0.000 0.253 387 V C 2.527 178.596 176.094 -0.042 0.000 1.069 387 V CA 2.257 64.524 62.300 -0.055 0.000 1.082 387 V CB -0.829 30.970 31.823 -0.040 0.000 0.680 387 V HN 0.492 nan 8.190 nan 0.000 0.469 388 Q N -0.608 119.188 119.800 -0.007 0.000 2.170 388 Q HA -0.243 4.097 4.340 -0.000 0.000 0.203 388 Q C 1.900 177.876 176.000 -0.040 0.000 0.976 388 Q CA 2.367 58.167 55.803 -0.006 0.000 0.858 388 Q CB -0.713 28.055 28.738 0.049 0.000 0.907 388 Q HN 0.820 nan 8.270 nan 0.000 0.433 389 Y N -0.037 120.172 120.300 -0.153 0.000 2.145 389 Y HA -0.170 4.380 4.550 -0.000 0.000 0.286 389 Y C 1.627 177.397 175.900 -0.216 0.000 1.145 389 Y CA 1.820 59.781 58.100 -0.231 0.000 1.148 389 Y CB -0.142 38.093 38.460 -0.375 0.000 0.981 389 Y HN 0.140 nan 8.280 nan 0.000 0.507 390 L N -0.460 120.704 121.223 -0.098 0.000 2.191 390 L HA -0.202 4.138 4.340 -0.000 0.000 0.212 390 L C 2.689 179.419 176.870 -0.233 0.000 1.103 390 L CA 0.969 55.715 54.840 -0.158 0.000 0.769 390 L CB -0.842 41.165 42.059 -0.087 0.000 0.908 390 L HN 0.352 nan 8.230 nan 0.000 0.438 391 A N 0.250 122.952 122.820 -0.196 0.000 1.898 391 A HA -0.167 4.152 4.320 -0.000 0.000 0.216 391 A C 2.005 179.451 177.584 -0.230 0.000 1.181 391 A CA 1.542 53.465 52.037 -0.191 0.000 0.620 391 A CB -0.427 18.498 19.000 -0.126 0.000 0.819 391 A HN 0.412 nan 8.150 nan 0.000 0.442 392 N N -0.294 118.253 118.700 -0.255 0.000 2.309 392 N HA -0.098 4.642 4.740 -0.000 0.000 0.182 392 N C 1.492 176.812 175.510 -0.316 0.000 1.018 392 N CA 1.233 54.138 53.050 -0.241 0.000 0.876 392 N CB -0.385 37.957 38.487 -0.243 0.000 0.972 392 N HN 0.456 nan 8.380 nan 0.000 0.434 393 L N 0.130 121.075 121.223 -0.463 0.000 2.095 393 L HA 0.124 4.464 4.340 -0.000 0.000 0.204 393 L C 1.598 178.060 176.870 -0.680 0.000 1.080 393 L CA 1.362 55.819 54.840 -0.638 0.000 0.759 393 L CB -0.017 41.721 42.059 -0.535 0.000 0.914 393 L HN 0.036 nan 8.230 nan 0.000 0.439 394 L N -1.930 119.022 121.223 -0.452 0.000 2.672 394 L HA 0.226 4.566 4.340 -0.000 0.000 0.236 394 L C 0.620 177.257 176.870 -0.389 0.000 1.092 394 L CA 0.735 55.332 54.840 -0.405 0.000 0.887 394 L CB 0.005 41.867 42.059 -0.328 0.000 1.168 394 L HN 0.318 nan 8.230 nan 0.000 0.502 395 T N -3.234 111.127 114.554 -0.323 0.000 3.571 395 T HA 0.547 4.897 4.350 -0.000 0.000 0.292 395 T C 0.722 175.317 174.700 -0.175 0.000 0.994 395 T CA 0.162 62.094 62.100 -0.280 0.000 0.996 395 T CB 0.823 69.513 68.868 -0.296 0.000 1.185 395 T HN 0.159 nan 8.240 nan 0.000 0.482 396 A N 0.168 122.890 122.820 -0.164 0.000 2.771 396 A HA 0.129 4.449 4.320 -0.000 0.000 0.294 396 A C 1.983 179.517 177.584 -0.085 0.000 1.500 396 A CA 1.299 53.274 52.037 -0.104 0.000 0.829 396 A CB -2.108 16.851 19.000 -0.068 0.000 0.998 396 A HN 2.416 nan 8.150 nan 0.000 0.526 397 G N -1.637 107.099 108.800 -0.107 0.000 2.195 397 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.246 397 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.246 397 G C -0.033 174.827 174.900 -0.066 0.000 0.984 397 G CA 0.915 45.966 45.100 -0.081 0.000 0.633 397 G HN 1.586 nan 8.290 nan 0.000 0.525 398 D N 1.522 121.879 120.400 -0.072 0.000 2.352 398 D HA 0.455 5.095 4.640 -0.000 0.000 0.245 398 D C 1.995 178.255 176.300 -0.067 0.000 1.224 398 D CA 0.624 54.593 54.000 -0.052 0.000 0.879 398 D CB 0.731 41.512 40.800 -0.033 0.000 1.057 398 D HN 0.308 nan 8.370 nan 0.000 0.491 399 T N 1.154 115.679 114.554 -0.050 0.000 3.007 399 T HA -0.157 4.193 4.350 -0.000 0.000 0.270 399 T C 1.711 176.387 174.700 -0.041 0.000 1.107 399 T CA 0.848 62.918 62.100 -0.051 0.000 1.118 399 T CB -0.000 68.849 68.868 -0.031 0.000 0.889 399 T HN 0.399 nan 8.240 nan 0.000 0.506 400 K N 1.887 122.273 120.400 -0.024 0.000 2.044 400 K HA -0.080 4.240 4.320 -0.000 0.000 0.210 400 K C -0.708 175.889 176.600 -0.006 0.000 1.049 400 K CA 1.565 57.849 56.287 -0.006 0.000 0.927 400 K CB -0.858 31.650 32.500 0.014 0.000 0.713 400 K HN 0.333 nan 8.250 nan 0.000 0.443 401 P HA -0.095 nan 4.420 nan 0.000 0.219 401 P C 1.271 178.527 177.300 -0.074 0.000 1.150 401 P CA 0.826 63.903 63.100 -0.039 0.000 0.814 401 P CB 0.153 31.752 31.700 -0.169 0.000 0.787 402 V N -0.456 119.399 119.914 -0.098 0.000 2.323 402 V HA -0.199 3.921 4.120 -0.000 0.000 0.244 402 V C 2.416 178.485 176.094 -0.042 0.000 1.041 402 V CA 1.527 63.776 62.300 -0.084 0.000 1.025 402 V CB -1.263 30.500 31.823 -0.099 0.000 0.656 402 V HN 0.049 nan 8.190 nan 0.000 0.451 403 L N -0.172 121.032 121.223 -0.032 0.000 2.079 403 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 403 L C 2.755 179.624 176.870 -0.003 0.000 1.081 403 L CA 1.929 56.759 54.840 -0.016 0.000 0.752 403 L CB -0.555 41.497 42.059 -0.012 0.000 0.896 403 L HN 0.295 nan 8.230 nan 0.000 0.433 404 R N 0.148 120.652 120.500 0.006 0.000 2.081 404 R HA -0.174 4.166 4.340 -0.000 0.000 0.235 404 R C 2.336 178.654 176.300 0.031 0.000 1.131 404 R CA 1.422 57.536 56.100 0.024 0.000 0.960 404 R CB -0.234 30.092 30.300 0.043 0.000 0.856 404 R HN 0.325 nan 8.270 nan 0.000 0.436 405 A N 1.265 124.102 122.820 0.028 0.000 1.858 405 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 405 A C 2.237 179.838 177.584 0.029 0.000 1.190 405 A CA 1.352 53.413 52.037 0.040 0.000 0.617 405 A CB -0.668 18.352 19.000 0.033 0.000 0.827 405 A HN 0.350 nan 8.150 nan 0.000 0.443 406 L N -0.837 120.394 121.223 0.014 0.000 2.046 406 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 406 L C 2.668 179.545 176.870 0.013 0.000 1.077 406 L CA 1.986 56.833 54.840 0.012 0.000 0.747 406 L CB -0.446 41.612 42.059 -0.002 0.000 0.896 406 L HN 0.427 nan 8.230 nan 0.000 0.432 407 K N 0.103 120.508 120.400 0.009 0.000 2.097 407 K HA -0.157 4.163 4.320 -0.000 0.000 0.206 407 K C 2.290 178.896 176.600 0.009 0.000 1.049 407 K CA 1.162 57.453 56.287 0.006 0.000 0.933 407 K CB 0.077 32.578 32.500 0.002 0.000 0.717 407 K HN 0.207 nan 8.250 nan 0.000 0.442 408 R N -0.311 120.197 120.500 0.014 0.000 2.115 408 R HA -0.022 4.318 4.340 -0.000 0.000 0.226 408 R C 2.271 178.572 176.300 0.003 0.000 1.100 408 R CA 1.373 57.478 56.100 0.008 0.000 0.980 408 R CB -0.111 30.202 30.300 0.021 0.000 0.875 408 R HN 0.243 nan 8.270 nan 0.000 0.445 409 M N 0.246 119.854 119.600 0.014 0.000 2.200 409 M HA -0.102 4.378 4.480 -0.000 0.000 0.265 409 M C 2.076 178.399 176.300 0.039 0.000 1.066 409 M CA 1.418 56.731 55.300 0.020 0.000 1.127 409 M CB -0.052 32.566 32.600 0.030 0.000 1.379 409 M HN 0.111 nan 8.290 nan 0.000 0.420 410 L N -0.403 120.843 121.223 0.038 0.000 2.093 410 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 410 L C 2.783 179.698 176.870 0.075 0.000 1.085 410 L CA 1.001 55.873 54.840 0.052 0.000 0.755 410 L CB -0.816 41.264 42.059 0.035 0.000 0.904 410 L HN 0.295 nan 8.230 nan 0.000 0.435 411 A N -0.201 122.650 122.820 0.051 0.000 1.902 411 A HA -0.270 4.050 4.320 -0.000 0.000 0.217 411 A C 2.340 180.001 177.584 0.128 0.000 1.181 411 A CA 1.834 53.910 52.037 0.065 0.000 0.623 411 A CB -0.497 18.509 19.000 0.011 0.000 0.818 411 A HN 0.424 nan 8.150 nan 0.000 0.443 412 M N -0.501 119.152 119.600 0.088 0.000 2.080 412 M HA -0.216 4.264 4.480 -0.000 0.000 0.260 412 M C 2.291 178.687 176.300 0.160 0.000 1.068 412 M CA 1.881 57.255 55.300 0.123 0.000 1.109 412 M CB -0.223 32.416 32.600 0.064 0.000 1.342 412 M HN 0.400 nan 8.290 nan 0.000 0.405 413 R N -0.941 119.633 120.500 0.123 0.000 2.083 413 R HA -0.222 4.118 4.340 -0.000 0.000 0.237 413 R C 2.537 178.891 176.300 0.090 0.000 1.137 413 R CA 1.823 57.982 56.100 0.097 0.000 0.951 413 R CB -1.148 29.205 30.300 0.087 0.000 0.851 413 R HN 0.619 nan 8.270 nan 0.000 0.434 414 H N 0.151 119.252 119.070 0.051 0.000 2.321 414 H HA -0.200 4.356 4.556 -0.000 0.000 0.300 414 H C 1.921 177.284 175.328 0.057 0.000 1.087 414 H CA 1.979 58.054 56.048 0.044 0.000 1.319 414 H CB -0.238 29.554 29.762 0.050 0.000 1.379 414 H HN 0.243 nan 8.280 nan 0.000 0.501 415 Y N 2.018 122.359 120.300 0.068 0.000 2.145 415 Y HA -0.153 4.397 4.550 -0.000 0.000 0.286 415 Y C 2.311 178.148 175.900 -0.105 0.000 1.145 415 Y CA 1.716 59.814 58.100 -0.003 0.000 1.148 415 Y CB -0.165 38.309 38.460 0.023 0.000 0.981 415 Y HN -0.002 nan 8.280 nan 0.000 0.507 416 K N 0.479 120.728 120.400 -0.252 0.000 2.148 416 K HA -0.146 4.174 4.320 -0.000 0.000 0.204 416 K C 2.281 178.694 176.600 -0.312 0.000 1.050 416 K CA 1.345 57.391 56.287 -0.402 0.000 0.942 416 K CB -0.436 31.898 32.500 -0.276 0.000 0.724 416 K HN 0.396 nan 8.250 nan 0.000 0.446 417 R N 0.733 121.099 120.500 -0.223 0.000 2.075 417 R HA -0.053 4.287 4.340 -0.000 0.000 0.232 417 R C 2.143 178.307 176.300 -0.227 0.000 1.126 417 R CA 1.260 57.245 56.100 -0.191 0.000 0.963 417 R CB -0.141 30.067 30.300 -0.154 0.000 0.858 417 R HN 0.130 nan 8.270 nan 0.000 0.435 418 A N 0.970 123.613 122.820 -0.295 0.000 1.902 418 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 418 A C 2.019 179.464 177.584 -0.232 0.000 1.181 418 A CA 1.743 53.628 52.037 -0.253 0.000 0.623 418 A CB -0.563 18.284 19.000 -0.254 0.000 0.818 418 A HN 0.620 nan 8.150 nan 0.000 0.443 419 E N -0.355 119.650 120.200 -0.325 0.000 2.047 419 E HA -0.168 4.182 4.350 -0.000 0.000 0.191 419 E C 2.022 178.493 176.600 -0.215 0.000 0.987 419 E CA 1.862 58.079 56.400 -0.305 0.000 0.799 419 E CB -0.174 29.246 29.700 -0.467 0.000 0.752 419 E HN 0.689 nan 8.360 nan 0.000 0.449 420 T N -2.335 112.091 114.554 -0.213 0.000 3.054 420 T HA 0.067 4.417 4.350 -0.000 0.000 0.259 420 T C 1.721 176.358 174.700 -0.106 0.000 1.092 420 T CA 0.672 62.684 62.100 -0.147 0.000 1.121 420 T CB 0.500 69.284 68.868 -0.140 0.000 0.912 420 T HN 0.037 nan 8.240 nan 0.000 0.489 421 V N 1.288 121.135 119.914 -0.111 0.000 2.806 421 V HA 0.135 4.255 4.120 -0.000 0.000 0.239 421 V C 1.875 177.924 176.094 -0.076 0.000 1.113 421 V CA 0.862 63.113 62.300 -0.082 0.000 1.137 421 V CB 0.200 31.977 31.823 -0.076 0.000 0.865 421 V HN 0.337 nan 8.190 nan 0.000 0.482 422 D N 0.518 120.863 120.400 -0.091 0.000 2.354 422 D HA 0.158 4.798 4.640 -0.000 0.000 0.209 422 D C 1.742 178.000 176.300 -0.071 0.000 1.015 422 D CA 1.079 55.034 54.000 -0.074 0.000 0.867 422 D CB 0.421 41.174 40.800 -0.078 0.000 0.933 422 D HN 0.471 nan 8.370 nan 0.000 0.520 423 G N 2.149 110.897 108.800 -0.087 0.000 2.249 423 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.273 423 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.273 423 G C 0.224 175.082 174.900 -0.070 0.000 1.036 423 G CA 1.038 46.092 45.100 -0.077 0.000 0.824 423 G HN 0.504 nan 8.290 nan 0.000 0.504 424 K N -1.803 118.547 120.400 -0.083 0.000 2.444 424 K HA 0.788 5.108 4.320 -0.000 0.000 0.252 424 K C -0.696 175.864 176.600 -0.067 0.000 0.993 424 K CA -1.210 55.042 56.287 -0.059 0.000 0.847 424 K CB 2.260 34.736 32.500 -0.040 0.000 1.340 424 K HN 0.143 nan 8.250 nan 0.000 0.446 425 V N 1.954 121.857 119.914 -0.018 0.000 2.348 425 V HA 0.193 4.313 4.120 -0.000 0.000 0.270 425 V C -0.909 175.230 176.094 0.075 0.000 1.037 425 V CA -0.280 62.040 62.300 0.033 0.000 0.872 425 V CB 0.805 32.669 31.823 0.069 0.000 1.002 425 V HN 0.777 nan 8.190 nan 0.000 0.464 426 D N 3.579 124.053 120.400 0.122 0.000 2.469 426 D HA 0.284 4.924 4.640 -0.000 0.000 0.251 426 D C 0.718 177.194 176.300 0.293 0.000 1.173 426 D CA -0.258 53.842 54.000 0.167 0.000 0.882 426 D CB 2.083 42.959 40.800 0.127 0.000 1.129 426 D HN 0.601 nan 8.370 nan 0.000 0.549 427 T N 0.647 115.318 114.554 0.195 0.000 3.176 427 T HA 0.136 4.486 4.350 -0.000 0.000 0.263 427 T C 1.507 176.246 174.700 0.065 0.000 1.021 427 T CA -0.378 61.793 62.100 0.118 0.000 0.905 427 T CB 0.321 69.204 68.868 0.024 0.000 1.057 427 T HN 0.279 nan 8.240 nan 0.000 0.558 428 R N 1.272 121.825 120.500 0.088 0.000 2.083 428 R HA -0.044 4.296 4.340 -0.000 0.000 0.237 428 R C 2.506 178.777 176.300 -0.047 0.000 1.137 428 R CA 1.727 57.836 56.100 0.014 0.000 0.951 428 R CB -0.757 29.550 30.300 0.011 0.000 0.851 428 R HN 0.470 nan 8.270 nan 0.000 0.434 429 A N 1.100 123.862 122.820 -0.096 0.000 1.933 429 A HA -0.115 4.205 4.320 -0.000 0.000 0.218 429 A C 2.244 179.796 177.584 -0.054 0.000 1.175 429 A CA 1.182 53.137 52.037 -0.137 0.000 0.628 429 A CB -0.475 18.401 19.000 -0.206 0.000 0.814 429 A HN 0.342 nan 8.150 nan 0.000 0.444 430 L N -0.848 120.355 121.223 -0.033 0.000 2.056 430 L HA -0.201 4.139 4.340 -0.000 0.000 0.207 430 L C 2.551 179.390 176.870 -0.052 0.000 1.078 430 L CA 1.715 56.514 54.840 -0.069 0.000 0.749 430 L CB -0.765 41.200 42.059 -0.158 0.000 0.901 430 L HN 0.465 nan 8.230 nan 0.000 0.433 431 E N 0.079 120.254 120.200 -0.041 0.000 2.110 431 E HA -0.265 4.085 4.350 -0.000 0.000 0.193 431 E C 2.025 178.612 176.600 -0.022 0.000 0.988 431 E CA 1.048 57.432 56.400 -0.027 0.000 0.804 431 E CB -0.036 29.653 29.700 -0.017 0.000 0.745 431 E HN 0.439 nan 8.360 nan 0.000 0.458 432 E N 0.583 120.765 120.200 -0.029 0.000 2.268 432 E HA -0.128 4.222 4.350 -0.000 0.000 0.195 432 E C 1.589 178.178 176.600 -0.018 0.000 0.995 432 E CA 1.122 57.506 56.400 -0.027 0.000 0.836 432 E CB 0.345 30.020 29.700 -0.042 0.000 0.763 432 E HN 0.229 nan 8.360 nan 0.000 0.491 433 V N -4.138 115.766 119.914 -0.018 0.000 3.427 433 V HA 0.468 4.588 4.120 -0.000 0.000 0.305 433 V C 0.928 177.025 176.094 0.004 0.000 1.412 433 V CA 0.278 62.575 62.300 -0.005 0.000 1.086 433 V CB 0.217 32.037 31.823 -0.006 0.000 0.964 433 V HN 0.189 nan 8.190 nan 0.000 0.439 434 G N 1.015 109.814 108.800 -0.001 0.000 2.160 434 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.244 434 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.244 434 G C -0.255 174.652 174.900 0.011 0.000 1.022 434 G CA 0.627 45.732 45.100 0.008 0.000 0.741 434 G HN 0.606 nan 8.290 nan 0.000 0.508 435 L N 0.564 121.780 121.223 -0.011 0.000 2.330 435 L HA 0.754 5.093 4.340 -0.000 0.000 0.271 435 L C 1.138 177.974 176.870 -0.057 0.000 1.013 435 L CA -0.500 54.328 54.840 -0.021 0.000 0.816 435 L CB 1.983 44.011 42.059 -0.052 0.000 1.287 435 L HN 0.352 nan 8.230 nan 0.000 0.435 436 T N -3.121 111.404 114.554 -0.049 0.000 2.897 436 T HA 0.268 4.618 4.350 -0.000 0.000 0.278 436 T C 0.748 175.355 174.700 -0.155 0.000 0.981 436 T CA -0.701 61.355 62.100 -0.072 0.000 0.973 436 T CB 1.514 70.371 68.868 -0.019 0.000 1.092 436 T HN 0.624 nan 8.240 nan 0.000 0.543 437 E N 0.221 120.316 120.200 -0.175 0.000 2.077 437 E HA -0.101 4.249 4.350 -0.000 0.000 0.193 437 E C 2.457 178.987 176.600 -0.116 0.000 0.989 437 E CA 1.096 57.334 56.400 -0.270 0.000 0.800 437 E CB -0.418 29.209 29.700 -0.121 0.000 0.746 437 E HN 0.772 nan 8.360 nan 0.000 0.452 438 A N 1.350 124.156 122.820 -0.023 0.000 1.883 438 A HA -0.296 4.024 4.320 -0.000 0.000 0.217 438 A C 2.058 179.681 177.584 0.065 0.000 1.186 438 A CA 1.656 53.720 52.037 0.044 0.000 0.624 438 A CB -0.526 18.512 19.000 0.063 0.000 0.822 438 A HN 0.212 nan 8.150 nan 0.000 0.444 439 Q N -0.855 118.973 119.800 0.047 0.000 2.046 439 Q HA -0.073 4.267 4.340 -0.000 0.000 0.200 439 Q C 2.468 178.390 176.000 -0.130 0.000 0.975 439 Q CA 1.325 57.174 55.803 0.076 0.000 0.836 439 Q CB -0.397 28.409 28.738 0.113 0.000 0.896 439 Q HN 0.681 nan 8.270 nan 0.000 0.428 440 A N 1.117 123.837 122.820 -0.168 0.000 1.940 440 A HA -0.262 4.058 4.320 -0.000 0.000 0.219 440 A C 1.960 179.525 177.584 -0.032 0.000 1.176 440 A CA 1.560 53.487 52.037 -0.182 0.000 0.631 440 A CB -0.445 18.380 19.000 -0.291 0.000 0.814 440 A HN 0.366 nan 8.150 nan 0.000 0.446 441 Q N -1.123 118.705 119.800 0.046 0.000 2.119 441 Q HA -0.161 4.178 4.340 -0.000 0.000 0.201 441 Q C 2.066 178.171 176.000 0.176 0.000 0.972 441 Q CA 1.424 57.320 55.803 0.155 0.000 0.847 441 Q CB -0.103 28.727 28.738 0.152 0.000 0.903 441 Q HN 0.860 nan 8.270 nan 0.000 0.433 442 E N 0.539 120.822 120.200 0.139 0.000 2.158 442 E HA -0.120 4.230 4.350 -0.000 0.000 0.191 442 E C 1.943 178.607 176.600 0.108 0.000 0.982 442 E CA 0.443 57.007 56.400 0.273 0.000 0.823 442 E CB 0.112 30.082 29.700 0.451 0.000 0.766 442 E HN 0.307 nan 8.360 nan 0.000 0.468 443 M N -0.275 119.061 119.600 -0.440 0.000 2.086 443 M HA -0.183 4.297 4.480 -0.000 0.000 0.261 443 M C 2.146 178.322 176.300 -0.208 0.000 1.067 443 M CA 1.487 56.265 55.300 -0.869 0.000 1.116 443 M CB -0.354 31.687 32.600 -0.931 0.000 1.348 443 M HN 0.244 nan 8.290 nan 0.000 0.407 444 Y N 0.898 121.113 120.300 -0.142 0.000 2.181 444 Y HA -0.280 4.270 4.550 -0.000 0.000 0.288 444 Y C 2.550 178.460 175.900 0.018 0.000 1.146 444 Y CA 2.007 60.087 58.100 -0.032 0.000 1.164 444 Y CB -0.387 38.077 38.460 0.007 0.000 0.982 444 Y HN 0.120 nan 8.280 nan 0.000 0.515 445 R N -1.110 119.428 120.500 0.063 0.000 2.083 445 R HA -0.241 4.099 4.340 -0.000 0.000 0.237 445 R C 1.904 178.127 176.300 -0.128 0.000 1.137 445 R CA 2.269 58.341 56.100 -0.048 0.000 0.951 445 R CB -0.825 29.505 30.300 0.049 0.000 0.851 445 R HN 0.448 nan 8.270 nan 0.000 0.434 446 Y N 0.395 120.709 120.300 0.024 0.000 2.286 446 Y HA -0.027 4.523 4.550 -0.000 0.000 0.293 446 Y C 2.112 178.077 175.900 0.108 0.000 1.124 446 Y CA 1.043 59.211 58.100 0.114 0.000 1.178 446 Y CB 0.063 38.663 38.460 0.233 0.000 1.010 446 Y HN 0.029 nan 8.280 nan 0.000 0.536 447 L N -1.748 119.546 121.223 0.118 0.000 2.202 447 L HA 0.012 4.352 4.340 -0.000 0.000 0.205 447 L C 2.401 179.269 176.870 -0.004 0.000 1.083 447 L CA 0.909 55.795 54.840 0.076 0.000 0.790 447 L CB -0.525 41.532 42.059 -0.003 0.000 0.942 447 L HN 0.153 nan 8.230 nan 0.000 0.452 448 A N 0.054 122.754 122.820 -0.199 0.000 1.881 448 A HA 0.027 4.347 4.320 -0.000 0.000 0.210 448 A C 2.075 179.497 177.584 -0.271 0.000 1.239 448 A CA 0.412 52.273 52.037 -0.293 0.000 0.629 448 A CB -0.257 18.366 19.000 -0.629 0.000 0.906 448 A HN 0.108 nan 8.150 nan 0.000 0.460 449 I N -0.285 120.057 120.570 -0.381 0.000 2.163 449 I HA -0.056 4.114 4.170 -0.000 0.000 0.240 449 I C 1.824 177.856 176.117 -0.142 0.000 1.081 449 I CA 1.293 62.457 61.300 -0.227 0.000 1.353 449 I CB -1.790 36.081 38.000 -0.214 0.000 1.054 449 I HN 0.567 nan 8.210 nan 0.000 0.407 450 A N 2.388 125.128 122.820 -0.134 0.000 2.466 450 A HA -0.225 4.095 4.320 -0.000 0.000 0.295 450 A C 0.408 177.909 177.584 -0.139 0.000 1.465 450 A CA 0.292 52.270 52.037 -0.098 0.000 0.744 450 A CB -2.508 16.465 19.000 -0.045 0.000 1.098 450 A HN 0.557 nan 8.150 nan 0.000 0.402 451 N N -0.791 117.826 118.700 -0.139 0.000 2.395 451 N HA 0.106 4.846 4.740 -0.000 0.000 0.246 451 N C 1.003 176.455 175.510 -0.096 0.000 1.246 451 N CA 0.532 53.532 53.050 -0.083 0.000 0.879 451 N CB 0.064 38.511 38.487 -0.067 0.000 1.098 451 N HN 0.582 nan 8.380 nan 0.000 0.444 452 Y N 1.740 121.951 120.300 -0.148 0.000 2.139 452 Y HA -0.296 4.254 4.550 -0.000 0.000 0.282 452 Y C 2.197 178.015 175.900 -0.136 0.000 1.179 452 Y CA 2.025 60.035 58.100 -0.151 0.000 1.161 452 Y CB 0.142 38.600 38.460 -0.004 0.000 0.970 452 Y HN 0.644 nan 8.280 nan 0.000 0.511 453 E N -0.911 119.362 120.200 0.122 0.000 2.409 453 E HA -0.180 4.170 4.350 -0.000 0.000 0.198 453 E C 0.812 177.389 176.600 -0.038 0.000 1.024 453 E CA 1.428 57.872 56.400 0.073 0.000 0.861 453 E CB -0.282 29.481 29.700 0.104 0.000 0.788 453 E HN 0.551 nan 8.360 nan 0.000 0.521 454 D N 0.694 121.017 120.400 -0.128 0.000 2.355 454 D HA 0.087 4.727 4.640 -0.000 0.000 0.206 454 D C 1.885 178.171 176.300 -0.023 0.000 1.010 454 D CA 0.187 54.126 54.000 -0.101 0.000 0.875 454 D CB 0.102 40.671 40.800 -0.384 0.000 0.966 454 D HN 0.190 nan 8.370 nan 0.000 0.512 455 R N -0.217 120.044 120.500 -0.397 0.000 2.100 455 R HA 0.078 4.418 4.340 -0.000 0.000 0.220 455 R C -0.023 175.859 176.300 -0.697 0.000 1.091 455 R CA 0.613 56.254 56.100 -0.765 0.000 0.986 455 R CB 0.192 29.570 30.300 -1.537 0.000 0.888 455 R HN 0.075 nan 8.270 nan 0.000 0.444 456 F N 0.078 119.898 119.950 -0.217 0.000 2.460 456 F HA 0.329 4.856 4.527 -0.000 0.000 0.341 456 F C -0.286 175.457 175.800 -0.094 0.000 1.130 456 F CA -1.320 56.567 58.000 -0.188 0.000 0.962 456 F CB 1.793 40.581 39.000 -0.353 0.000 1.171 456 F HN -0.395 nan 8.300 nan 0.000 0.436 457 V N 4.396 124.393 119.914 0.138 0.000 2.260 457 V HA 0.342 4.462 4.120 -0.000 0.000 0.263 457 V C -0.548 175.597 176.094 0.085 0.000 1.036 457 V CA -0.572 61.787 62.300 0.098 0.000 0.874 457 V CB 0.964 32.839 31.823 0.086 0.000 1.116 457 V HN 0.511 nan 8.190 nan 0.000 0.454 458 V N 6.036 125.999 119.914 0.082 0.000 2.357 458 V HA 0.469 4.589 4.120 -0.000 0.000 0.284 458 V C -1.839 174.283 176.094 0.047 0.000 1.018 458 V CA -1.492 60.846 62.300 0.063 0.000 0.841 458 V CB 2.014 33.866 31.823 0.048 0.000 0.991 458 V HN 0.579 nan 8.190 nan 0.000 0.437 459 P HA 0.316 nan 4.420 nan 0.000 0.281 459 P C -0.167 177.142 177.300 0.016 0.000 1.249 459 P CA -0.234 62.884 63.100 0.029 0.000 0.810 459 P CB 1.430 33.156 31.700 0.044 0.000 1.008 460 S N 0.208 115.891 115.700 -0.028 0.000 2.614 460 S HA 0.142 4.612 4.470 -0.000 0.000 0.265 460 S C 1.158 175.738 174.600 -0.034 0.000 1.303 460 S CA -0.176 57.996 58.200 -0.046 0.000 1.000 460 S CB 0.052 63.192 63.200 -0.100 0.000 0.935 460 S HN 0.543 nan 8.310 nan 0.000 0.551 461 S N -0.696 115.005 115.700 0.002 0.000 2.671 461 S HA 0.082 4.552 4.470 -0.000 0.000 0.220 461 S C 0.317 174.993 174.600 0.126 0.000 0.951 461 S CA -0.287 57.953 58.200 0.067 0.000 0.932 461 S CB -0.981 62.262 63.200 0.071 0.000 0.777 461 S HN 0.819 nan 8.310 nan 0.000 0.508 462 H N 1.389 120.472 119.070 0.022 0.000 2.672 462 H HA -0.080 4.476 4.556 -0.000 0.000 0.325 462 H C 0.670 176.008 175.328 0.018 0.000 1.158 462 H CA 0.713 56.771 56.048 0.017 0.000 1.134 462 H CB -0.938 28.830 29.762 0.011 0.000 1.553 462 H HN 0.459 nan 8.280 nan 0.000 0.419 463 R N 1.187 121.730 120.500 0.072 0.000 2.241 463 R HA -0.112 4.228 4.340 -0.000 0.000 0.224 463 R C 2.009 178.345 176.300 0.060 0.000 1.101 463 R CA 1.187 57.323 56.100 0.061 0.000 0.995 463 R CB 0.024 30.349 30.300 0.042 0.000 0.870 463 R HN 0.674 nan 8.270 nan 0.000 0.463 464 E N 1.004 121.247 120.200 0.070 0.000 2.409 464 E HA -0.102 4.248 4.350 -0.000 0.000 0.198 464 E C 0.716 177.350 176.600 0.057 0.000 1.024 464 E CA 0.525 56.961 56.400 0.060 0.000 0.861 464 E CB -0.185 29.555 29.700 0.067 0.000 0.788 464 E HN 0.265 nan 8.360 nan 0.000 0.521 465 L N 0.000 121.264 121.223 0.069 0.000 2.949 465 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 465 L CA 0.000 54.865 54.840 0.042 0.000 0.813 465 L CB 0.000 42.081 42.059 0.036 0.000 0.961 465 L HN 0.000 nan 8.230 nan 0.000 0.502