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 1sqx_1_B DATA FIRST_RESID 17 DATA SEQUENCE VPPHPQDLEF TRLPNGLVIA SLENYAPASR IGLFIKAGSR YENSNNLGTS DATA SEQUENCE HLLRLASSLT TKGASSFKIT RGIEAVGGKL SVTSTRENMA YTVECLRDDV DATA SEQUENCE DILMEFLLNV TTAPEFRRWE VAALQPQLRI DKAVALQNPQ AHVIENLHAA DATA SEQUENCE AYRNALANSL YCPDYRIGKV TPVELHDYVQ NHFTSARMAL IGLGVSHPVL DATA SEQUENCE KQVAEQFLNI RGGLGLSGAK AKYHGGEIRE QNGDSLVHAA LVAESAAIGS DATA SEQUENCE AEANAFSVLQ HVLGAGPHVK RGSNATSSLY QAVAKGVHQP FDVSAFNASY DATA SEQUENCE SDSGLFGFYT ISQAASAGDV IKAAYNQVKT IAQGNLSNPD VQAAKNKLKA DATA SEQUENCE GYLMSVESSE GFLDEVGSQA LAAGSYTPPS TVLQQIDAVA DADVINAAKK DATA SEQUENCE FVSGRKSMAA SGNLGHTPFI DEL 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 17 V HA 0.000 nan 4.120 nan 0.000 0.244 17 V C 0.000 176.085 176.094 -0.015 0.000 1.182 17 V CA 0.000 62.291 62.300 -0.015 0.000 1.235 17 V CB 0.000 31.817 31.823 -0.011 0.000 1.184 18 P HA 0.807 nan 4.420 nan 0.000 0.278 18 P C -2.686 174.609 177.300 -0.008 0.000 1.266 18 P CA -1.028 62.062 63.100 -0.016 0.000 0.807 18 P CB 0.055 31.740 31.700 -0.025 0.000 1.094 19 P HA 0.182 nan 4.420 nan 0.000 0.271 19 P C -0.481 176.858 177.300 0.065 0.000 1.216 19 P CA -0.134 62.992 63.100 0.043 0.000 0.776 19 P CB 0.147 31.877 31.700 0.050 0.000 0.881 20 H N 3.233 122.317 119.070 0.024 0.000 3.187 20 H HA 0.053 4.609 4.556 -0.000 0.000 0.286 20 H C -1.417 173.944 175.328 0.056 0.000 0.944 20 H CA -0.668 55.398 56.048 0.031 0.000 1.429 20 H CB -0.157 29.620 29.762 0.025 0.000 1.483 20 H HN 0.329 nan 8.280 nan 0.000 0.555 21 P HA 0.025 nan 4.420 nan 0.000 0.275 21 P C -0.551 176.822 177.300 0.122 0.000 1.228 21 P CA -0.509 62.658 63.100 0.112 0.000 0.786 21 P CB 0.995 32.712 31.700 0.028 0.000 0.927 22 Q N 1.310 121.158 119.800 0.081 0.000 2.392 22 Q HA 0.103 4.443 4.340 -0.000 0.000 0.262 22 Q C -0.157 175.858 176.000 0.025 0.000 1.003 22 Q CA 0.237 56.067 55.803 0.046 0.000 0.888 22 Q CB 0.484 29.210 28.738 -0.019 0.000 1.260 22 Q HN 0.440 nan 8.270 nan 0.000 0.435 23 D N 1.513 121.934 120.400 0.034 0.000 2.382 23 D HA 0.106 4.746 4.640 -0.000 0.000 0.245 23 D C 0.107 176.414 176.300 0.013 0.000 1.120 23 D CA -0.226 53.798 54.000 0.040 0.000 0.890 23 D CB 0.681 41.510 40.800 0.048 0.000 1.201 23 D HN 0.357 nan 8.370 nan 0.000 0.433 24 L N 1.948 123.185 121.223 0.023 0.000 2.525 24 L HA -0.001 4.339 4.340 -0.000 0.000 0.278 24 L C 0.370 177.225 176.870 -0.024 0.000 1.218 24 L CA 0.400 55.228 54.840 -0.020 0.000 0.878 24 L CB 0.273 42.243 42.059 -0.149 0.000 1.127 24 L HN 0.263 nan 8.230 nan 0.000 0.492 25 E N 4.976 125.126 120.200 -0.084 0.000 2.207 25 E HA 0.374 4.724 4.350 -0.000 0.000 0.270 25 E C -1.435 175.085 176.600 -0.133 0.000 0.927 25 E CA -0.583 55.670 56.400 -0.246 0.000 0.799 25 E CB 2.575 31.875 29.700 -0.666 0.000 1.172 25 E HN 0.450 nan 8.360 nan 0.000 0.404 26 F N 0.649 120.469 119.950 -0.217 0.000 2.574 26 F HA 0.346 4.873 4.527 -0.000 0.000 0.313 26 F C -1.242 174.608 175.800 0.083 0.000 1.130 26 F CA -0.188 57.823 58.000 0.017 0.000 0.936 26 F CB 2.280 41.303 39.000 0.038 0.000 1.219 26 F HN 0.229 nan 8.300 nan 0.000 0.445 27 T N 5.654 120.091 114.554 -0.195 0.000 2.991 27 T HA 0.419 4.769 4.350 -0.000 0.000 0.303 27 T C -0.843 173.710 174.700 -0.245 0.000 1.015 27 T CA -0.737 61.336 62.100 -0.046 0.000 1.007 27 T CB 1.447 70.389 68.868 0.124 0.000 1.034 27 T HN 0.486 nan 8.240 nan 0.000 0.446 28 R N 2.699 123.166 120.500 -0.054 0.000 2.221 28 R HA 0.502 4.842 4.340 -0.000 0.000 0.327 28 R C -0.266 176.030 176.300 -0.007 0.000 1.033 28 R CA -0.620 55.464 56.100 -0.026 0.000 0.887 28 R CB 0.965 31.318 30.300 0.088 0.000 1.057 28 R HN 0.484 nan 8.270 nan 0.000 0.455 29 L N 4.934 126.140 121.223 -0.030 0.000 2.418 29 L HA 0.219 4.559 4.340 -0.000 0.000 0.265 29 L C -1.067 175.801 176.870 -0.003 0.000 1.143 29 L CA -1.918 52.913 54.840 -0.016 0.000 0.809 29 L CB 0.725 42.765 42.059 -0.031 0.000 1.124 29 L HN 0.350 nan 8.230 nan 0.000 0.456 30 P HA -0.221 nan 4.420 nan 0.000 0.218 30 P C 0.788 178.089 177.300 0.001 0.000 1.154 30 P CA 1.557 64.659 63.100 0.004 0.000 0.872 30 P CB -0.245 31.455 31.700 0.001 0.000 0.790 31 N N -1.009 117.687 118.700 -0.006 0.000 2.609 31 N HA -0.034 4.706 4.740 -0.000 0.000 0.190 31 N C 1.352 176.859 175.510 -0.005 0.000 1.157 31 N CA 1.488 54.534 53.050 -0.008 0.000 0.918 31 N CB -1.069 37.410 38.487 -0.013 0.000 0.978 31 N HN 0.315 nan 8.380 nan 0.000 0.448 32 G N -0.829 107.970 108.800 -0.002 0.000 2.232 32 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.226 32 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.226 32 G C -0.191 174.705 174.900 -0.006 0.000 0.996 32 G CA 0.092 45.194 45.100 0.004 0.000 0.626 32 G HN 0.504 nan 8.290 nan 0.000 0.509 33 L N 1.738 122.948 121.223 -0.021 0.000 2.485 33 L HA 0.582 4.922 4.340 -0.000 0.000 0.275 33 L C 0.348 177.172 176.870 -0.077 0.000 1.207 33 L CA 0.032 54.849 54.840 -0.039 0.000 0.855 33 L CB 1.212 43.248 42.059 -0.038 0.000 1.114 33 L HN 0.121 nan 8.230 nan 0.000 0.485 34 V N 6.469 126.315 119.914 -0.113 0.000 2.448 34 V HA 0.437 4.557 4.120 -0.000 0.000 0.295 34 V C -0.230 175.701 176.094 -0.271 0.000 1.025 34 V CA -0.409 61.741 62.300 -0.249 0.000 0.859 34 V CB 1.616 33.299 31.823 -0.233 0.000 0.988 34 V HN 0.574 nan 8.190 nan 0.000 0.431 35 I N 4.295 124.655 120.570 -0.351 0.000 2.406 35 I HA 0.803 4.973 4.170 -0.000 0.000 0.290 35 I C 0.176 176.143 176.117 -0.251 0.000 0.999 35 I CA -0.252 60.892 61.300 -0.259 0.000 1.124 35 I CB 1.880 39.724 38.000 -0.259 0.000 1.289 35 I HN 0.658 nan 8.210 nan 0.000 0.441 36 A N 4.457 127.201 122.820 -0.127 0.000 2.374 36 A HA 0.898 5.218 4.320 -0.000 0.000 0.305 36 A C -0.510 177.125 177.584 0.085 0.000 1.053 36 A CA -0.475 51.576 52.037 0.024 0.000 0.726 36 A CB 1.536 20.547 19.000 0.019 0.000 1.229 36 A HN 0.694 nan 8.150 nan 0.000 0.431 37 S N 1.976 117.783 115.700 0.178 0.000 2.549 37 S HA 0.809 5.279 4.470 -0.000 0.000 0.280 37 S C -1.209 173.446 174.600 0.092 0.000 1.109 37 S CA -0.663 57.627 58.200 0.151 0.000 0.905 37 S CB 1.562 64.895 63.200 0.221 0.000 1.081 37 S HN 1.005 nan 8.310 nan 0.000 0.477 38 L N 1.669 122.935 121.223 0.072 0.000 2.409 38 L HA 0.559 4.899 4.340 -0.000 0.000 0.272 38 L C -0.945 175.888 176.870 -0.062 0.000 0.980 38 L CA -0.420 54.429 54.840 0.015 0.000 0.826 38 L CB 1.974 44.067 42.059 0.057 0.000 1.268 38 L HN 0.982 nan 8.230 nan 0.000 0.407 39 E N 4.885 124.998 120.200 -0.146 0.000 1.856 39 E HA 0.112 4.462 4.350 -0.000 0.000 0.263 39 E C -0.228 176.119 176.600 -0.422 0.000 1.137 39 E CA -0.284 55.921 56.400 -0.325 0.000 1.007 39 E CB 0.028 29.479 29.700 -0.415 0.000 1.117 39 E HN 0.539 nan 8.360 nan 0.000 0.438 40 N N 2.057 120.594 118.700 -0.273 0.000 2.492 40 N HA -0.085 4.655 4.740 -0.000 0.000 0.260 40 N C -0.377 174.979 175.510 -0.256 0.000 1.215 40 N CA -0.279 52.642 53.050 -0.215 0.000 0.923 40 N CB 0.526 38.935 38.487 -0.129 0.000 1.092 40 N HN 0.315 nan 8.380 nan 0.000 0.448 41 Y N 0.469 120.762 120.300 -0.012 0.000 2.871 41 Y HA 0.215 4.765 4.550 -0.000 0.000 0.378 41 Y C 1.048 176.946 175.900 -0.003 0.000 1.069 41 Y CA -0.453 57.645 58.100 -0.003 0.000 1.662 41 Y CB -0.614 37.846 38.460 0.000 0.000 1.561 41 Y HN 0.634 nan 8.280 nan 0.000 0.483 42 A N 0.450 123.309 122.820 0.065 0.000 2.322 42 A HA 0.325 4.645 4.320 -0.000 0.000 0.269 42 A C -1.298 176.314 177.584 0.047 0.000 1.094 42 A CA -1.280 50.783 52.037 0.044 0.000 0.807 42 A CB 0.421 19.427 19.000 0.009 0.000 1.047 42 A HN 0.226 nan 8.150 nan 0.000 0.487 43 P HA 0.026 nan 4.420 nan 0.000 0.218 43 P C 0.352 177.668 177.300 0.028 0.000 1.149 43 P CA 1.674 64.794 63.100 0.034 0.000 0.817 43 P CB 0.153 31.869 31.700 0.026 0.000 0.785 44 A N -0.988 121.846 122.820 0.023 0.000 2.320 44 A HA 0.621 4.941 4.320 -0.000 0.000 0.334 44 A C -0.042 177.555 177.584 0.021 0.000 1.147 44 A CA -0.258 51.792 52.037 0.022 0.000 0.820 44 A CB 0.845 19.857 19.000 0.021 0.000 1.218 44 A HN -0.073 nan 8.150 nan 0.000 0.482 45 S N -0.007 115.706 115.700 0.023 0.000 2.501 45 S HA 0.621 5.091 4.470 -0.000 0.000 0.301 45 S C -0.206 174.415 174.600 0.034 0.000 1.096 45 S CA -0.545 57.670 58.200 0.025 0.000 1.063 45 S CB 1.310 64.522 63.200 0.021 0.000 1.042 45 S HN 0.637 nan 8.310 nan 0.000 0.494 46 R N 1.836 122.364 120.500 0.046 0.000 2.494 46 R HA 0.662 5.002 4.340 -0.000 0.000 0.305 46 R C -1.511 174.830 176.300 0.067 0.000 0.959 46 R CA -0.433 55.703 56.100 0.060 0.000 0.864 46 R CB 0.785 31.133 30.300 0.080 0.000 1.159 46 R HN 0.579 nan 8.270 nan 0.000 0.446 47 I N 2.299 122.905 120.570 0.059 0.000 2.499 47 I HA 0.423 4.593 4.170 -0.000 0.000 0.288 47 I C 0.017 176.169 176.117 0.059 0.000 1.048 47 I CA -0.551 60.787 61.300 0.063 0.000 1.062 47 I CB 2.421 40.443 38.000 0.038 0.000 1.238 47 I HN 0.674 nan 8.210 nan 0.000 0.426 48 G N 5.735 114.597 108.800 0.104 0.000 2.513 48 G HA2 0.656 4.616 3.960 -0.000 0.000 0.317 48 G HA3 0.656 4.616 3.960 -0.000 0.000 0.317 48 G C -1.709 173.229 174.900 0.062 0.000 1.277 48 G CA -0.538 44.572 45.100 0.015 0.000 0.955 48 G HN 0.409 nan 8.290 nan 0.000 0.484 49 L N 2.317 123.500 121.223 -0.068 0.000 2.276 49 L HA 0.648 4.988 4.340 -0.000 0.000 0.286 49 L C -1.226 175.565 176.870 -0.132 0.000 1.024 49 L CA -0.717 54.111 54.840 -0.020 0.000 0.826 49 L CB 0.289 42.314 42.059 -0.057 0.000 1.211 49 L HN 0.341 nan 8.230 nan 0.000 0.422 50 F N 6.019 125.956 119.950 -0.022 0.000 2.410 50 F HA 0.560 5.086 4.527 -0.000 0.000 0.349 50 F C 0.057 175.813 175.800 -0.074 0.000 1.117 50 F CA -0.312 57.675 58.000 -0.023 0.000 1.104 50 F CB 0.977 39.973 39.000 -0.007 0.000 1.122 50 F HN 0.224 nan 8.300 nan 0.000 0.483 51 I N 3.201 123.782 120.570 0.019 0.000 2.533 51 I HA 0.273 4.443 4.170 -0.000 0.000 0.290 51 I C -0.400 175.698 176.117 -0.031 0.000 1.056 51 I CA -1.008 60.221 61.300 -0.118 0.000 1.057 51 I CB 1.992 39.698 38.000 -0.491 0.000 1.240 51 I HN 0.406 nan 8.210 nan 0.000 0.423 52 K N 5.319 125.703 120.400 -0.026 0.000 2.034 52 K HA 0.311 4.630 4.320 -0.000 0.000 0.225 52 K C 0.520 177.025 176.600 -0.158 0.000 1.190 52 K CA 0.036 56.318 56.287 -0.009 0.000 1.152 52 K CB 0.085 32.542 32.500 -0.071 0.000 1.300 52 K HN 0.772 nan 8.250 nan 0.000 0.268 53 A N 1.464 124.322 122.820 0.063 0.000 2.671 53 A HA 0.218 4.538 4.320 -0.000 0.000 0.265 53 A C 0.881 178.693 177.584 0.380 0.000 1.148 53 A CA -0.265 51.861 52.037 0.147 0.000 0.977 53 A CB 0.518 19.676 19.000 0.263 0.000 1.242 53 A HN 0.573 nan 8.150 nan 0.000 0.591 54 G N 0.170 109.174 108.800 0.339 0.000 2.647 54 G HA2 0.287 4.247 3.960 -0.000 0.000 0.271 54 G HA3 0.287 4.247 3.960 -0.000 0.000 0.271 54 G C 1.223 176.206 174.900 0.138 0.000 1.300 54 G CA 0.505 45.714 45.100 0.181 0.000 0.997 54 G HN 0.763 nan 8.290 nan 0.000 0.533 55 S N -0.637 115.046 115.700 -0.027 0.000 2.423 55 S HA -0.191 4.279 4.470 -0.000 0.000 0.231 55 S C 2.082 176.607 174.600 -0.126 0.000 1.014 55 S CA 1.214 59.374 58.200 -0.066 0.000 0.965 55 S CB -0.311 62.805 63.200 -0.141 0.000 0.785 55 S HN 0.820 nan 8.310 nan 0.000 0.495 56 R N 0.336 120.662 120.500 -0.290 0.000 2.249 56 R HA -0.116 4.224 4.340 -0.000 0.000 0.230 56 R C 1.042 177.050 176.300 -0.486 0.000 1.121 56 R CA 1.454 57.283 56.100 -0.451 0.000 0.997 56 R CB -0.751 29.172 30.300 -0.630 0.000 0.867 56 R HN 0.497 nan 8.270 nan 0.000 0.465 57 Y N 1.297 121.559 120.300 -0.063 0.000 2.482 57 Y HA 0.248 4.798 4.550 -0.000 0.000 0.270 57 Y C 0.249 176.159 175.900 0.017 0.000 1.152 57 Y CA -0.444 57.590 58.100 -0.109 0.000 1.292 57 Y CB 0.124 38.309 38.460 -0.458 0.000 1.070 57 Y HN 0.128 nan 8.280 nan 0.000 0.528 58 E N 1.448 121.771 120.200 0.205 0.000 2.392 58 E HA 0.129 4.479 4.350 -0.000 0.000 0.259 58 E C -0.174 176.497 176.600 0.117 0.000 1.108 58 E CA -0.273 56.261 56.400 0.223 0.000 0.916 58 E CB 0.475 30.257 29.700 0.137 0.000 0.989 58 E HN 0.326 nan 8.360 nan 0.000 0.432 59 N N -1.299 117.472 118.700 0.119 0.000 3.091 59 N HA 0.067 4.807 4.740 -0.000 0.000 0.329 59 N C 0.301 175.858 175.510 0.078 0.000 1.430 59 N CA -0.475 52.623 53.050 0.081 0.000 0.755 59 N CB 0.367 38.902 38.487 0.080 0.000 1.626 59 N HN 0.304 nan 8.380 nan 0.000 0.614 60 S N -1.389 114.353 115.700 0.070 0.000 2.507 60 S HA -0.038 4.432 4.470 -0.000 0.000 0.235 60 S C 0.506 175.168 174.600 0.102 0.000 0.988 60 S CA 0.445 58.694 58.200 0.083 0.000 0.944 60 S CB -0.679 62.557 63.200 0.061 0.000 0.762 60 S HN 0.545 nan 8.310 nan 0.000 0.526 61 N N 2.752 121.504 118.700 0.086 0.000 2.392 61 N HA 0.035 4.775 4.740 -0.000 0.000 0.177 61 N C 0.476 176.032 175.510 0.077 0.000 1.066 61 N CA 0.782 53.882 53.050 0.084 0.000 0.895 61 N CB -0.157 38.370 38.487 0.066 0.000 0.988 61 N HN 0.808 nan 8.380 nan 0.000 0.457 62 N N 0.415 119.160 118.700 0.075 0.000 2.451 62 N HA 0.066 4.806 4.740 -0.000 0.000 0.271 62 N C -0.532 174.986 175.510 0.013 0.000 1.410 62 N CA -0.188 52.891 53.050 0.049 0.000 0.884 62 N CB -0.475 38.067 38.487 0.092 0.000 1.332 62 N HN -0.008 nan 8.380 nan 0.000 0.498 63 L N 0.516 121.743 121.223 0.007 0.000 2.540 63 L HA 0.261 4.601 4.340 -0.000 0.000 0.276 63 L C 1.509 178.319 176.870 -0.100 0.000 1.212 63 L CA 1.305 56.129 54.840 -0.027 0.000 0.893 63 L CB 0.201 42.264 42.059 0.007 0.000 1.138 63 L HN 0.544 nan 8.230 nan 0.000 0.491 64 G N 1.542 110.289 108.800 -0.089 0.000 2.195 64 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.246 64 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.246 64 G C 0.831 175.645 174.900 -0.144 0.000 0.984 64 G CA 0.430 45.477 45.100 -0.088 0.000 0.633 64 G HN 0.621 nan 8.290 nan 0.000 0.525 65 T N 1.273 115.701 114.554 -0.210 0.000 2.833 65 T HA -0.060 4.290 4.350 -0.000 0.000 0.269 65 T C 2.679 177.086 174.700 -0.488 0.000 1.054 65 T CA 2.527 64.427 62.100 -0.333 0.000 1.135 65 T CB -0.303 68.380 68.868 -0.309 0.000 0.869 65 T HN 1.209 nan 8.240 nan 0.000 0.466 66 S N 0.311 115.691 115.700 -0.533 0.000 2.496 66 S HA -0.036 4.434 4.470 -0.000 0.000 0.224 66 S C 1.743 176.249 174.600 -0.157 0.000 0.996 66 S CA 0.445 58.379 58.200 -0.444 0.000 0.927 66 S CB -0.597 62.388 63.200 -0.359 0.000 0.774 66 S HN 0.731 nan 8.310 nan 0.000 0.524 67 H N 0.437 119.362 119.070 -0.242 0.000 2.284 67 H HA 0.037 4.593 4.556 -0.000 0.000 0.304 67 H C 2.151 177.391 175.328 -0.147 0.000 1.069 67 H CA 1.297 57.233 56.048 -0.187 0.000 1.327 67 H CB -0.165 29.502 29.762 -0.158 0.000 1.387 67 H HN 0.369 nan 8.280 nan 0.000 0.498 68 L N 1.194 122.306 121.223 -0.186 0.000 2.079 68 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 68 L C 2.453 179.236 176.870 -0.144 0.000 1.081 68 L CA 1.162 55.864 54.840 -0.232 0.000 0.752 68 L CB -0.795 41.118 42.059 -0.244 0.000 0.896 68 L HN 0.394 nan 8.230 nan 0.000 0.433 69 L N -0.570 120.564 121.223 -0.149 0.000 2.043 69 L HA -0.296 4.044 4.340 -0.000 0.000 0.212 69 L C 2.799 179.713 176.870 0.072 0.000 1.075 69 L CA 1.908 56.731 54.840 -0.029 0.000 0.752 69 L CB -0.322 41.705 42.059 -0.054 0.000 0.891 69 L HN 0.380 nan 8.230 nan 0.000 0.432 70 R N -0.025 120.483 120.500 0.013 0.000 2.120 70 R HA -0.140 4.200 4.340 -0.000 0.000 0.234 70 R C 1.989 178.274 176.300 -0.024 0.000 1.123 70 R CA 1.085 57.167 56.100 -0.029 0.000 0.975 70 R CB -0.074 30.209 30.300 -0.029 0.000 0.866 70 R HN 0.407 nan 8.270 nan 0.000 0.446 71 L N -0.229 120.988 121.223 -0.010 0.000 2.558 71 L HA 0.182 4.522 4.340 -0.000 0.000 0.225 71 L C 1.610 178.480 176.870 0.001 0.000 1.128 71 L CA 0.366 55.193 54.840 -0.021 0.000 0.868 71 L CB 0.137 42.151 42.059 -0.075 0.000 1.006 71 L HN 0.209 nan 8.230 nan 0.000 0.454 72 A N -0.418 122.432 122.820 0.050 0.000 2.423 72 A HA 0.082 4.402 4.320 -0.000 0.000 0.246 72 A C 2.085 179.738 177.584 0.115 0.000 1.278 72 A CA 0.510 52.607 52.037 0.100 0.000 0.903 72 A CB -0.130 18.989 19.000 0.198 0.000 0.997 72 A HN 0.359 nan 8.150 nan 0.000 0.510 73 S N 0.176 115.938 115.700 0.102 0.000 2.453 73 S HA -0.099 4.371 4.470 -0.000 0.000 0.231 73 S C 1.578 176.210 174.600 0.054 0.000 1.005 73 S CA 1.272 59.558 58.200 0.142 0.000 0.949 73 S CB -0.521 62.772 63.200 0.156 0.000 0.774 73 S HN 0.833 nan 8.310 nan 0.000 0.510 74 S N 0.974 116.677 115.700 0.005 0.000 2.572 74 S HA 0.421 4.891 4.470 -0.000 0.000 0.228 74 S C 0.493 175.075 174.600 -0.030 0.000 0.963 74 S CA -0.768 57.410 58.200 -0.038 0.000 0.939 74 S CB -0.555 62.604 63.200 -0.067 0.000 0.804 74 S HN 0.438 nan 8.310 nan 0.000 0.480 75 L N 2.653 123.863 121.223 -0.022 0.000 2.476 75 L HA 0.233 4.573 4.340 -0.000 0.000 0.264 75 L C 0.901 177.727 176.870 -0.074 0.000 1.224 75 L CA -0.389 54.427 54.840 -0.040 0.000 0.821 75 L CB -0.070 41.965 42.059 -0.040 0.000 1.101 75 L HN 0.306 nan 8.230 nan 0.000 0.488 76 T N -1.527 112.985 114.554 -0.070 0.000 2.888 76 T HA 0.260 4.610 4.350 -0.000 0.000 0.301 76 T C 0.203 174.834 174.700 -0.115 0.000 1.001 76 T CA -0.760 61.309 62.100 -0.052 0.000 1.147 76 T CB 0.631 69.496 68.868 -0.006 0.000 0.931 76 T HN 0.776 nan 8.240 nan 0.000 0.541 77 T N 0.117 114.629 114.554 -0.069 0.000 2.938 77 T HA 0.578 4.928 4.350 -0.000 0.000 0.285 77 T C -0.295 174.384 174.700 -0.035 0.000 1.028 77 T CA -1.311 60.738 62.100 -0.085 0.000 1.005 77 T CB 0.801 69.636 68.868 -0.054 0.000 1.157 77 T HN 0.532 nan 8.240 nan 0.000 0.550 78 K N 0.853 121.232 120.400 -0.034 0.000 2.379 78 K HA 0.472 4.792 4.320 -0.000 0.000 0.284 78 K C 1.247 177.851 176.600 0.007 0.000 1.044 78 K CA 0.782 57.066 56.287 -0.006 0.000 0.974 78 K CB -0.026 32.471 32.500 -0.004 0.000 0.962 78 K HN 0.999 nan 8.250 nan 0.000 0.474 79 G N 2.094 110.906 108.800 0.019 0.000 2.447 79 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.293 79 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.293 79 G C -0.264 174.660 174.900 0.040 0.000 0.894 79 G CA 0.779 45.895 45.100 0.027 0.000 1.066 79 G HN 0.697 nan 8.290 nan 0.000 0.503 80 A N -0.172 122.690 122.820 0.070 0.000 2.497 80 A HA 0.789 5.109 4.320 -0.000 0.000 0.280 80 A C 0.231 177.884 177.584 0.115 0.000 1.065 80 A CA 0.476 52.601 52.037 0.146 0.000 0.781 80 A CB 0.640 19.800 19.000 0.266 0.000 1.289 80 A HN 1.852 nan 8.150 nan 0.000 0.415 81 S N 1.719 117.495 115.700 0.127 0.000 2.589 81 S HA 0.288 4.758 4.470 -0.000 0.000 0.265 81 S C 1.414 176.071 174.600 0.094 0.000 1.342 81 S CA 0.598 58.867 58.200 0.116 0.000 1.005 81 S CB 1.185 64.477 63.200 0.152 0.000 0.909 81 S HN 1.220 nan 8.310 nan 0.000 0.555 82 S N 0.680 116.433 115.700 0.088 0.000 2.359 82 S HA -0.152 4.318 4.470 -0.000 0.000 0.223 82 S C 1.442 176.079 174.600 0.061 0.000 1.039 82 S CA 1.667 59.901 58.200 0.056 0.000 1.042 82 S CB -0.989 62.258 63.200 0.078 0.000 0.915 82 S HN 0.709 nan 8.310 nan 0.000 0.439 83 F N 2.327 122.270 119.950 -0.012 0.000 2.087 83 F HA -0.163 4.364 4.527 -0.000 0.000 0.299 83 F C 2.415 178.192 175.800 -0.038 0.000 1.100 83 F CA 2.181 60.170 58.000 -0.017 0.000 1.226 83 F CB -0.352 38.652 39.000 0.007 0.000 0.983 83 F HN 0.122 nan 8.300 nan 0.000 0.479 84 K N 0.431 120.880 120.400 0.082 0.000 2.057 84 K HA -0.167 4.153 4.320 -0.000 0.000 0.207 84 K C 2.155 178.603 176.600 -0.253 0.000 1.049 84 K CA 1.870 58.167 56.287 0.018 0.000 0.931 84 K CB -0.479 32.153 32.500 0.221 0.000 0.714 84 K HN 0.372 nan 8.250 nan 0.000 0.440 85 I N 0.461 120.809 120.570 -0.370 0.000 2.179 85 I HA -0.278 3.892 4.170 -0.000 0.000 0.242 85 I C 2.244 177.951 176.117 -0.683 0.000 1.088 85 I CA 1.420 62.222 61.300 -0.829 0.000 1.357 85 I CB -0.458 37.285 38.000 -0.429 0.000 1.051 85 I HN 0.141 nan 8.210 nan 0.000 0.409 86 T N 0.544 114.850 114.554 -0.415 0.000 2.674 86 T HA -0.142 4.208 4.350 -0.000 0.000 0.265 86 T C 2.078 176.556 174.700 -0.370 0.000 1.039 86 T CA 1.156 63.053 62.100 -0.339 0.000 1.150 86 T CB -0.166 68.545 68.868 -0.261 0.000 0.864 86 T HN 0.181 nan 8.240 nan 0.000 0.427 87 R N 0.763 120.979 120.500 -0.474 0.000 2.073 87 R HA 0.088 4.428 4.340 -0.000 0.000 0.229 87 R C 2.864 179.024 176.300 -0.234 0.000 1.120 87 R CA 1.376 57.227 56.100 -0.414 0.000 0.967 87 R CB -1.385 28.526 30.300 -0.649 0.000 0.862 87 R HN 0.506 nan 8.270 nan 0.000 0.436 88 G N 1.347 110.026 108.800 -0.202 0.000 2.421 88 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.216 88 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.216 88 G C 1.644 176.564 174.900 0.033 0.000 1.171 88 G CA 0.522 45.645 45.100 0.039 0.000 0.775 88 G HN 0.212 nan 8.290 nan 0.000 0.543 89 I N 0.438 120.879 120.570 -0.215 0.000 2.208 89 I HA -0.162 4.008 4.170 -0.000 0.000 0.245 89 I C 2.751 178.823 176.117 -0.075 0.000 1.097 89 I CA 1.300 62.526 61.300 -0.124 0.000 1.363 89 I CB -0.183 37.671 38.000 -0.242 0.000 1.051 89 I HN 0.247 nan 8.210 nan 0.000 0.413 90 E N 0.633 120.765 120.200 -0.114 0.000 2.158 90 E HA -0.106 4.244 4.350 -0.000 0.000 0.191 90 E C 2.357 178.927 176.600 -0.051 0.000 0.982 90 E CA 0.904 57.254 56.400 -0.083 0.000 0.823 90 E CB -0.061 29.574 29.700 -0.108 0.000 0.766 90 E HN 0.484 nan 8.360 nan 0.000 0.468 91 A N 1.348 124.141 122.820 -0.045 0.000 1.940 91 A HA -0.156 4.164 4.320 -0.000 0.000 0.219 91 A C 2.345 179.931 177.584 0.003 0.000 1.176 91 A CA 1.704 53.731 52.037 -0.016 0.000 0.631 91 A CB -0.578 18.421 19.000 -0.003 0.000 0.814 91 A HN 0.231 nan 8.150 nan 0.000 0.446 92 V N -3.802 116.120 119.914 0.015 0.000 3.633 92 V HA 0.538 4.658 4.120 -0.000 0.000 0.283 92 V C 1.211 177.311 176.094 0.011 0.000 1.305 92 V CA 0.516 62.828 62.300 0.020 0.000 1.153 92 V CB -0.937 30.908 31.823 0.038 0.000 0.950 92 V HN 1.542 nan 8.190 nan 0.000 0.432 93 G N -0.320 108.479 108.800 -0.002 0.000 2.176 93 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.252 93 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.252 93 G C 0.506 175.403 174.900 -0.006 0.000 1.024 93 G CA 0.188 45.284 45.100 -0.006 0.000 0.755 93 G HN 1.360 nan 8.290 nan 0.000 0.507 94 G N -0.949 107.847 108.800 -0.006 0.000 2.547 94 G HA2 0.661 4.621 3.960 -0.000 0.000 0.291 94 G HA3 0.661 4.621 3.960 -0.000 0.000 0.291 94 G C -0.163 174.728 174.900 -0.016 0.000 1.211 94 G CA -0.568 44.532 45.100 -0.000 0.000 0.950 94 G HN 0.435 nan 8.290 nan 0.000 0.504 95 K N -1.104 119.290 120.400 -0.010 0.000 2.328 95 K HA 0.591 4.911 4.320 -0.000 0.000 0.246 95 K C -1.345 175.244 176.600 -0.018 0.000 0.955 95 K CA -0.677 55.597 56.287 -0.022 0.000 0.817 95 K CB 2.479 34.969 32.500 -0.017 0.000 1.208 95 K HN 0.287 nan 8.250 nan 0.000 0.432 96 L N 1.092 122.295 121.223 -0.033 0.000 2.376 96 L HA 0.518 4.858 4.340 -0.000 0.000 0.275 96 L C -1.399 175.446 176.870 -0.042 0.000 0.987 96 L CA 0.109 54.935 54.840 -0.023 0.000 0.828 96 L CB 1.683 43.728 42.059 -0.022 0.000 1.249 96 L HN 0.688 nan 8.230 nan 0.000 0.409 97 S N 3.678 119.345 115.700 -0.056 0.000 2.566 97 S HA 0.818 5.288 4.470 -0.000 0.000 0.298 97 S C -0.846 173.640 174.600 -0.190 0.000 1.083 97 S CA -0.763 57.378 58.200 -0.098 0.000 0.978 97 S CB 2.045 65.198 63.200 -0.078 0.000 1.073 97 S HN 0.803 nan 8.310 nan 0.000 0.491 98 V N 1.686 121.449 119.914 -0.251 0.000 2.443 98 V HA 0.779 4.899 4.120 -0.000 0.000 0.293 98 V C -0.408 175.519 176.094 -0.278 0.000 1.021 98 V CA -0.002 62.046 62.300 -0.419 0.000 0.848 98 V CB 1.091 32.414 31.823 -0.833 0.000 0.998 98 V HN 1.136 nan 8.190 nan 0.000 0.424 99 T N 4.122 118.524 114.554 -0.252 0.000 2.855 99 T HA 0.764 5.114 4.350 -0.000 0.000 0.281 99 T C -0.360 174.258 174.700 -0.136 0.000 1.007 99 T CA -0.304 61.701 62.100 -0.158 0.000 1.009 99 T CB 1.646 70.458 68.868 -0.094 0.000 0.983 99 T HN 0.830 nan 8.240 nan 0.000 0.455 100 S N 2.292 117.928 115.700 -0.106 0.000 2.538 100 S HA 0.751 5.221 4.470 -0.000 0.000 0.288 100 S C -0.006 174.555 174.600 -0.064 0.000 1.108 100 S CA -0.843 57.305 58.200 -0.086 0.000 0.971 100 S CB 1.899 65.025 63.200 -0.124 0.000 1.041 100 S HN 1.120 nan 8.310 nan 0.000 0.483 101 T N -0.395 114.148 114.554 -0.019 0.000 2.905 101 T HA 0.485 4.835 4.350 -0.000 0.000 0.283 101 T C 0.957 175.629 174.700 -0.048 0.000 1.031 101 T CA -0.987 61.109 62.100 -0.006 0.000 1.002 101 T CB 0.839 69.749 68.868 0.071 0.000 1.200 101 T HN 0.450 nan 8.240 nan 0.000 0.560 102 R N 0.276 120.727 120.500 -0.082 0.000 2.200 102 R HA -0.053 4.287 4.340 -0.000 0.000 0.234 102 R C 1.909 178.109 176.300 -0.168 0.000 1.127 102 R CA 1.525 57.504 56.100 -0.201 0.000 0.989 102 R CB -0.083 29.976 30.300 -0.402 0.000 0.869 102 R HN 0.717 nan 8.270 nan 0.000 0.459 103 E N -0.265 119.918 120.200 -0.027 0.000 2.256 103 E HA 0.066 4.416 4.350 -0.000 0.000 0.198 103 E C 0.115 176.826 176.600 0.186 0.000 0.908 103 E CA 0.281 56.715 56.400 0.057 0.000 0.915 103 E CB 0.314 30.084 29.700 0.117 0.000 0.890 103 E HN 0.377 nan 8.360 nan 0.000 0.484 104 N N 0.581 119.366 118.700 0.141 0.000 2.335 104 N HA 0.418 5.158 4.740 -0.000 0.000 0.304 104 N C -0.723 174.843 175.510 0.093 0.000 1.135 104 N CA -0.382 52.756 53.050 0.146 0.000 0.817 104 N CB 1.975 40.571 38.487 0.182 0.000 1.294 104 N HN -0.150 nan 8.380 nan 0.000 0.497 105 M N 1.272 120.915 119.600 0.071 0.000 2.537 105 M HA 0.635 5.115 4.480 -0.000 0.000 0.324 105 M C -0.924 175.342 176.300 -0.057 0.000 1.187 105 M CA -0.792 54.514 55.300 0.010 0.000 0.993 105 M CB 1.985 34.642 32.600 0.095 0.000 1.666 105 M HN 0.602 nan 8.290 nan 0.000 0.461 106 A N 2.479 125.180 122.820 -0.198 0.000 2.446 106 A HA 0.618 4.938 4.320 -0.000 0.000 0.282 106 A C -1.972 175.384 177.584 -0.380 0.000 1.102 106 A CA -0.486 51.275 52.037 -0.459 0.000 0.737 106 A CB 0.533 19.144 19.000 -0.649 0.000 1.212 106 A HN 0.741 nan 8.150 nan 0.000 0.434 107 Y N 1.926 121.995 120.300 -0.385 0.000 2.504 107 Y HA 0.493 5.043 4.550 -0.000 0.000 0.339 107 Y C 1.197 176.961 175.900 -0.227 0.000 0.974 107 Y CA 0.288 58.258 58.100 -0.217 0.000 1.232 107 Y CB 1.635 40.022 38.460 -0.122 0.000 1.108 107 Y HN 0.676 nan 8.280 nan 0.000 0.509 108 T N 0.854 115.352 114.554 -0.093 0.000 2.940 108 T HA 0.829 5.179 4.350 -0.000 0.000 0.288 108 T C -1.316 173.379 174.700 -0.008 0.000 1.033 108 T CA -0.712 61.351 62.100 -0.061 0.000 1.033 108 T CB 1.557 70.375 68.868 -0.083 0.000 1.079 108 T HN 0.294 nan 8.240 nan 0.000 0.496 109 V N 3.313 123.235 119.914 0.013 0.000 2.655 109 V HA 0.470 4.590 4.120 -0.000 0.000 0.301 109 V C -1.035 175.077 176.094 0.030 0.000 1.082 109 V CA -0.699 61.618 62.300 0.029 0.000 0.899 109 V CB 1.785 33.638 31.823 0.049 0.000 1.014 109 V HN 1.073 nan 8.190 nan 0.000 0.429 110 E N 5.174 125.389 120.200 0.025 0.000 2.238 110 E HA 0.855 5.204 4.350 -0.000 0.000 0.267 110 E C -0.825 175.791 176.600 0.026 0.000 0.887 110 E CA -0.682 55.733 56.400 0.026 0.000 0.769 110 E CB 2.389 32.103 29.700 0.023 0.000 1.187 110 E HN 0.764 nan 8.360 nan 0.000 0.416 111 C N -0.091 119.225 119.300 0.027 0.000 3.284 111 C HA 0.554 5.014 4.460 -0.000 0.000 0.348 111 C C -0.527 174.477 174.990 0.023 0.000 1.448 111 C CA -1.238 57.795 59.018 0.025 0.000 1.223 111 C CB -0.272 27.488 27.740 0.032 0.000 1.588 111 C HN 0.867 nan 8.230 nan 0.000 0.451 112 L N 1.636 122.872 121.223 0.021 0.000 2.461 112 L HA 0.307 4.647 4.340 -0.000 0.000 0.272 112 L C 2.129 179.012 176.870 0.021 0.000 1.197 112 L CA -0.129 54.724 54.840 0.021 0.000 0.836 112 L CB 0.097 42.168 42.059 0.019 0.000 1.105 112 L HN 0.949 nan 8.230 nan 0.000 0.477 113 R N 1.155 121.669 120.500 0.023 0.000 2.224 113 R HA -0.261 4.079 4.340 -0.000 0.000 0.255 113 R C 1.318 177.629 176.300 0.020 0.000 1.130 113 R CA 2.582 58.697 56.100 0.024 0.000 0.957 113 R CB -0.113 30.207 30.300 0.033 0.000 0.907 113 R HN 0.745 nan 8.270 nan 0.000 0.446 114 D N -0.371 120.040 120.400 0.019 0.000 2.350 114 D HA -0.093 4.547 4.640 -0.000 0.000 0.216 114 D C 0.475 176.780 176.300 0.009 0.000 0.968 114 D CA 0.948 54.957 54.000 0.014 0.000 0.894 114 D CB -0.012 40.796 40.800 0.014 0.000 0.909 114 D HN 0.369 nan 8.370 nan 0.000 0.520 115 D N -0.308 120.098 120.400 0.011 0.000 2.431 115 D HA -0.004 4.636 4.640 -0.000 0.000 0.213 115 D C 2.240 178.544 176.300 0.006 0.000 1.130 115 D CA 0.076 54.082 54.000 0.010 0.000 0.834 115 D CB 1.043 41.857 40.800 0.023 0.000 0.985 115 D HN 0.097 nan 8.370 nan 0.000 0.504 116 V N -0.411 119.504 119.914 0.002 0.000 2.324 116 V HA -0.277 3.843 4.120 -0.000 0.000 0.250 116 V C 1.722 177.798 176.094 -0.030 0.000 1.060 116 V CA 1.747 64.044 62.300 -0.005 0.000 1.042 116 V CB -0.552 31.270 31.823 -0.002 0.000 0.650 116 V HN -0.089 nan 8.190 nan 0.000 0.450 117 D N 0.398 120.771 120.400 -0.046 0.000 2.104 117 D HA -0.143 4.497 4.640 -0.000 0.000 0.194 117 D C 2.056 178.270 176.300 -0.143 0.000 0.994 117 D CA 2.050 56.000 54.000 -0.084 0.000 0.830 117 D CB -0.325 40.432 40.800 -0.072 0.000 0.959 117 D HN 0.553 nan 8.370 nan 0.000 0.452 118 I N -0.066 120.421 120.570 -0.137 0.000 2.315 118 I HA -0.217 3.953 4.170 -0.000 0.000 0.248 118 I C 2.101 178.074 176.117 -0.240 0.000 1.117 118 I CA 0.681 61.829 61.300 -0.253 0.000 1.404 118 I CB 0.178 38.072 38.000 -0.178 0.000 1.071 118 I HN -0.068 nan 8.210 nan 0.000 0.419 119 L N -1.019 120.199 121.223 -0.008 0.000 2.131 119 L HA -0.163 4.177 4.340 -0.000 0.000 0.206 119 L C 2.367 179.265 176.870 0.046 0.000 1.087 119 L CA 1.017 55.932 54.840 0.126 0.000 0.767 119 L CB -0.413 41.715 42.059 0.115 0.000 0.917 119 L HN 0.244 nan 8.230 nan 0.000 0.441 120 M N -0.317 119.260 119.600 -0.039 0.000 2.082 120 M HA -0.277 4.203 4.480 -0.000 0.000 0.258 120 M C 2.217 178.424 176.300 -0.155 0.000 1.069 120 M CA 1.832 57.083 55.300 -0.082 0.000 1.102 120 M CB -0.349 32.191 32.600 -0.100 0.000 1.336 120 M HN 0.193 nan 8.290 nan 0.000 0.404 121 E N -1.023 119.025 120.200 -0.253 0.000 2.077 121 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 121 E C 1.843 178.291 176.600 -0.254 0.000 0.989 121 E CA 1.497 57.681 56.400 -0.359 0.000 0.800 121 E CB -0.148 29.270 29.700 -0.470 0.000 0.746 121 E HN 0.517 nan 8.360 nan 0.000 0.452 122 F N 0.958 120.847 119.950 -0.100 0.000 2.146 122 F HA -0.170 4.357 4.527 -0.000 0.000 0.298 122 F C 2.366 178.127 175.800 -0.066 0.000 1.096 122 F CA 0.692 58.648 58.000 -0.073 0.000 1.275 122 F CB -0.786 38.183 39.000 -0.051 0.000 1.008 122 F HN 0.083 nan 8.300 nan 0.000 0.480 123 L N -0.219 121.079 121.223 0.124 0.000 2.013 123 L HA -0.262 4.078 4.340 -0.000 0.000 0.212 123 L C 2.261 179.119 176.870 -0.020 0.000 1.073 123 L CA 1.802 56.672 54.840 0.050 0.000 0.753 123 L CB -0.567 41.508 42.059 0.026 0.000 0.890 123 L HN 0.198 nan 8.230 nan 0.000 0.432 124 L N -0.598 120.582 121.223 -0.072 0.000 2.093 124 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 124 L C 2.390 179.215 176.870 -0.074 0.000 1.085 124 L CA 0.817 55.597 54.840 -0.099 0.000 0.755 124 L CB -0.681 41.245 42.059 -0.222 0.000 0.904 124 L HN 0.357 nan 8.230 nan 0.000 0.435 125 N N 0.016 118.675 118.700 -0.069 0.000 2.069 125 N HA -0.160 4.580 4.740 -0.000 0.000 0.191 125 N C 1.902 177.385 175.510 -0.045 0.000 1.031 125 N CA 1.405 54.432 53.050 -0.039 0.000 0.852 125 N CB -0.338 38.152 38.487 0.005 0.000 1.018 125 N HN 0.100 nan 8.380 nan 0.000 0.423 126 V N 1.163 121.064 119.914 -0.021 0.000 2.332 126 V HA -0.211 3.909 4.120 -0.000 0.000 0.248 126 V C 2.413 178.443 176.094 -0.108 0.000 1.055 126 V CA 2.287 64.565 62.300 -0.037 0.000 1.038 126 V CB -0.967 30.891 31.823 0.060 0.000 0.651 126 V HN 0.563 nan 8.190 nan 0.000 0.450 127 T N -3.229 111.250 114.554 -0.126 0.000 3.051 127 T HA -0.039 4.311 4.350 -0.000 0.000 0.255 127 T C 1.511 176.240 174.700 0.048 0.000 1.085 127 T CA 1.185 63.227 62.100 -0.096 0.000 1.109 127 T CB 0.048 68.787 68.868 -0.214 0.000 0.921 127 T HN 0.593 nan 8.240 nan 0.000 0.488 128 T N -2.074 112.477 114.554 -0.005 0.000 2.975 128 T HA 0.624 4.974 4.350 -0.000 0.000 0.261 128 T C 1.176 175.870 174.700 -0.010 0.000 0.984 128 T CA 0.195 62.309 62.100 0.024 0.000 0.911 128 T CB 0.217 69.120 68.868 0.059 0.000 1.127 128 T HN 0.399 nan 8.240 nan 0.000 0.514 129 A N 2.325 125.113 122.820 -0.053 0.000 2.610 129 A HA 0.569 4.889 4.320 -0.000 0.000 0.290 129 A C -2.810 174.678 177.584 -0.159 0.000 1.001 129 A CA -1.098 50.898 52.037 -0.068 0.000 1.004 129 A CB 0.273 19.255 19.000 -0.030 0.000 1.220 129 A HN 0.389 nan 8.150 nan 0.000 0.507 130 P HA 0.160 nan 4.420 nan 0.000 0.271 130 P C 0.141 177.082 177.300 -0.599 0.000 1.216 130 P CA 0.354 63.092 63.100 -0.603 0.000 0.771 130 P CB 1.248 32.288 31.700 -1.100 0.000 0.864 131 E N 1.367 121.285 120.200 -0.471 0.000 2.318 131 E HA 0.034 4.384 4.350 -0.000 0.000 0.193 131 E C -0.184 176.311 176.600 -0.176 0.000 0.998 131 E CA 0.013 56.289 56.400 -0.207 0.000 0.859 131 E CB -0.339 29.287 29.700 -0.124 0.000 0.812 131 E HN 0.321 nan 8.360 nan 0.000 0.492 132 F N 1.225 121.034 119.950 -0.235 0.000 2.907 132 F HA -0.271 4.256 4.527 -0.000 0.000 0.244 132 F C 0.052 175.687 175.800 -0.276 0.000 1.007 132 F CA 0.469 58.283 58.000 -0.310 0.000 0.872 132 F CB -2.057 36.619 39.000 -0.540 0.000 0.767 132 F HN -0.053 nan 8.300 nan 0.000 0.837 133 R N 0.724 121.067 120.500 -0.261 0.000 2.502 133 R HA 0.059 4.399 4.340 -0.000 0.000 0.292 133 R C 1.701 177.585 176.300 -0.693 0.000 0.998 133 R CA -0.173 55.538 56.100 -0.649 0.000 1.056 133 R CB 0.307 29.985 30.300 -1.036 0.000 0.939 133 R HN 0.409 nan 8.270 nan 0.000 0.411 134 R N 2.482 122.639 120.500 -0.570 0.000 2.159 134 R HA -0.259 4.081 4.340 -0.000 0.000 0.249 134 R C 1.708 177.936 176.300 -0.121 0.000 1.136 134 R CA 2.850 58.813 56.100 -0.230 0.000 0.951 134 R CB -0.188 30.100 30.300 -0.021 0.000 0.876 134 R HN 0.815 nan 8.270 nan 0.000 0.440 135 W N -0.096 121.224 121.300 0.034 0.000 2.476 135 W HA 0.072 4.732 4.660 -0.000 0.000 0.281 135 W C 1.429 177.961 176.519 0.022 0.000 1.230 135 W CA 0.496 57.854 57.345 0.022 0.000 1.287 135 W CB -0.468 29.002 29.460 0.018 0.000 1.108 135 W HN 0.028 nan 8.180 nan 0.000 0.567 136 E N 1.162 121.220 120.200 -0.236 0.000 2.072 136 E HA -0.178 4.172 4.350 -0.000 0.000 0.191 136 E C 2.256 178.830 176.600 -0.044 0.000 0.985 136 E CA 1.823 58.179 56.400 -0.073 0.000 0.801 136 E CB -0.403 29.203 29.700 -0.156 0.000 0.750 136 E HN 0.189 nan 8.360 nan 0.000 0.452 137 V N 1.586 121.446 119.914 -0.090 0.000 2.332 137 V HA -0.290 3.830 4.120 -0.000 0.000 0.248 137 V C 2.364 178.437 176.094 -0.035 0.000 1.055 137 V CA 1.878 64.143 62.300 -0.058 0.000 1.038 137 V CB -0.747 31.027 31.823 -0.082 0.000 0.651 137 V HN 0.306 nan 8.190 nan 0.000 0.450 138 A N 0.066 122.885 122.820 -0.002 0.000 1.877 138 A HA -0.097 4.223 4.320 -0.000 0.000 0.216 138 A C 2.391 179.991 177.584 0.027 0.000 1.186 138 A CA 2.001 54.052 52.037 0.023 0.000 0.620 138 A CB -0.793 18.248 19.000 0.068 0.000 0.822 138 A HN 0.585 nan 8.150 nan 0.000 0.443 139 A N -1.147 121.704 122.820 0.051 0.000 2.067 139 A HA 0.077 4.397 4.320 -0.000 0.000 0.219 139 A C 2.012 179.606 177.584 0.017 0.000 1.158 139 A CA 1.539 53.603 52.037 0.046 0.000 0.661 139 A CB -0.391 18.656 19.000 0.078 0.000 0.801 139 A HN 0.572 nan 8.150 nan 0.000 0.452 140 L N -0.753 120.469 121.223 -0.001 0.000 2.270 140 L HA -0.036 4.304 4.340 -0.000 0.000 0.210 140 L C 2.296 179.134 176.870 -0.055 0.000 1.104 140 L CA 1.263 56.087 54.840 -0.026 0.000 0.804 140 L CB -0.459 41.581 42.059 -0.031 0.000 0.937 140 L HN 0.346 nan 8.230 nan 0.000 0.450 141 Q N 0.347 120.114 119.800 -0.054 0.000 2.096 141 Q HA -0.206 4.134 4.340 -0.000 0.000 0.208 141 Q C -0.172 175.787 176.000 -0.068 0.000 0.993 141 Q CA 2.331 58.091 55.803 -0.073 0.000 0.862 141 Q CB -1.978 26.726 28.738 -0.057 0.000 0.915 141 Q HN 0.432 nan 8.270 nan 0.000 0.416 142 P HA -0.158 nan 4.420 nan 0.000 0.220 142 P C 1.275 178.552 177.300 -0.039 0.000 1.144 142 P CA 1.284 64.365 63.100 -0.032 0.000 0.800 142 P CB -0.057 31.634 31.700 -0.015 0.000 0.772 143 Q N -0.394 119.375 119.800 -0.051 0.000 2.224 143 Q HA -0.097 4.243 4.340 -0.000 0.000 0.203 143 Q C 1.877 177.832 176.000 -0.075 0.000 0.970 143 Q CA 1.277 57.049 55.803 -0.051 0.000 0.865 143 Q CB -1.194 27.515 28.738 -0.049 0.000 0.922 143 Q HN 0.202 nan 8.270 nan 0.000 0.445 144 L N -0.346 120.791 121.223 -0.144 0.000 2.042 144 L HA -0.224 4.116 4.340 -0.000 0.000 0.210 144 L C 2.607 179.463 176.870 -0.023 0.000 1.076 144 L CA 1.867 56.583 54.840 -0.207 0.000 0.749 144 L CB -0.444 41.453 42.059 -0.270 0.000 0.893 144 L HN 0.207 nan 8.230 nan 0.000 0.432 145 R N 0.241 120.725 120.500 -0.025 0.000 2.062 145 R HA -0.164 4.176 4.340 -0.000 0.000 0.231 145 R C 2.341 178.641 176.300 0.000 0.000 1.136 145 R CA 1.376 57.474 56.100 -0.004 0.000 0.948 145 R CB -0.053 30.240 30.300 -0.012 0.000 0.845 145 R HN 0.147 nan 8.270 nan 0.000 0.430 146 I N 1.521 122.089 120.570 -0.003 0.000 2.118 146 I HA -0.287 3.883 4.170 -0.000 0.000 0.241 146 I C 2.043 178.165 176.117 0.009 0.000 1.070 146 I CA 1.776 63.076 61.300 -0.001 0.000 1.327 146 I CB -1.464 36.535 38.000 -0.001 0.000 1.034 146 I HN 0.300 nan 8.210 nan 0.000 0.405 147 D N 0.701 121.129 120.400 0.047 0.000 2.092 147 D HA -0.232 4.408 4.640 -0.000 0.000 0.193 147 D C 2.321 178.654 176.300 0.055 0.000 0.994 147 D CA 1.547 55.612 54.000 0.109 0.000 0.828 147 D CB 0.020 40.963 40.800 0.238 0.000 0.963 147 D HN 0.163 nan 8.370 nan 0.000 0.450 148 K N -0.286 120.164 120.400 0.084 0.000 2.032 148 K HA -0.189 4.131 4.320 -0.000 0.000 0.209 148 K C 2.065 178.525 176.600 -0.233 0.000 1.048 148 K CA 1.289 57.487 56.287 -0.149 0.000 0.927 148 K CB -0.248 32.258 32.500 0.010 0.000 0.712 148 K HN 0.171 nan 8.250 nan 0.000 0.441 149 A N 0.548 123.303 122.820 -0.108 0.000 1.883 149 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 149 A C 2.268 179.791 177.584 -0.102 0.000 1.186 149 A CA 1.755 53.738 52.037 -0.091 0.000 0.624 149 A CB -0.701 18.274 19.000 -0.041 0.000 0.822 149 A HN 0.189 nan 8.150 nan 0.000 0.444 150 V N -0.302 119.560 119.914 -0.087 0.000 2.307 150 V HA -0.228 3.892 4.120 -0.000 0.000 0.245 150 V C 3.087 179.113 176.094 -0.113 0.000 1.045 150 V CA 1.971 64.229 62.300 -0.070 0.000 1.024 150 V CB -1.179 30.623 31.823 -0.034 0.000 0.651 150 V HN 0.634 nan 8.190 nan 0.000 0.449 151 A N -0.430 122.270 122.820 -0.200 0.000 1.883 151 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 151 A C 1.940 179.343 177.584 -0.302 0.000 1.186 151 A CA 1.843 53.706 52.037 -0.290 0.000 0.624 151 A CB -0.592 18.032 19.000 -0.627 0.000 0.822 151 A HN 0.448 nan 8.150 nan 0.000 0.444 152 L N -0.011 120.985 121.223 -0.377 0.000 2.650 152 L HA -0.001 4.339 4.340 -0.000 0.000 0.235 152 L C 2.214 179.038 176.870 -0.076 0.000 1.149 152 L CA 0.901 55.518 54.840 -0.372 0.000 0.887 152 L CB -0.523 41.182 42.059 -0.590 0.000 1.021 152 L HN 0.457 nan 8.230 nan 0.000 0.441 153 Q N -0.522 119.246 119.800 -0.053 0.000 2.172 153 Q HA -0.010 4.330 4.340 -0.000 0.000 0.200 153 Q C 0.187 176.198 176.000 0.017 0.000 0.964 153 Q CA 0.459 56.265 55.803 0.005 0.000 0.855 153 Q CB 0.125 28.855 28.738 -0.013 0.000 0.918 153 Q HN 0.561 nan 8.270 nan 0.000 0.444 154 N N 1.871 120.572 118.700 0.001 0.000 2.420 154 N HA 0.029 4.769 4.740 -0.000 0.000 0.262 154 N C -2.216 173.316 175.510 0.037 0.000 1.144 154 N CA -0.840 52.217 53.050 0.011 0.000 0.952 154 N CB 0.977 39.469 38.487 0.009 0.000 1.081 154 N HN -0.003 nan 8.380 nan 0.000 0.480 155 P HA -0.167 nan 4.420 nan 0.000 0.217 155 P C 1.071 178.338 177.300 -0.055 0.000 1.148 155 P CA 1.387 64.381 63.100 -0.177 0.000 0.828 155 P CB 0.356 31.612 31.700 -0.739 0.000 0.783 156 Q N -0.321 119.487 119.800 0.013 0.000 2.152 156 Q HA -0.185 4.155 4.340 -0.000 0.000 0.206 156 Q C 2.258 178.357 176.000 0.165 0.000 0.985 156 Q CA 2.152 58.055 55.803 0.167 0.000 0.863 156 Q CB -1.355 27.418 28.738 0.059 0.000 0.904 156 Q HN 0.232 nan 8.270 nan 0.000 0.422 157 A N 0.517 123.396 122.820 0.099 0.000 1.877 157 A HA -0.236 4.084 4.320 -0.000 0.000 0.216 157 A C 1.827 179.452 177.584 0.069 0.000 1.186 157 A CA 1.555 53.629 52.037 0.061 0.000 0.620 157 A CB -0.847 18.111 19.000 -0.070 0.000 0.822 157 A HN 0.461 nan 8.150 nan 0.000 0.443 158 H N -0.628 118.443 119.070 0.002 0.000 2.289 158 H HA -0.139 4.417 4.556 -0.000 0.000 0.296 158 H C 2.310 177.660 175.328 0.037 0.000 1.091 158 H CA 1.888 57.939 56.048 0.005 0.000 1.274 158 H CB -0.475 29.267 29.762 -0.033 0.000 1.364 158 H HN 0.312 nan 8.280 nan 0.000 0.490 159 V N 1.110 121.140 119.914 0.194 0.000 2.261 159 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 159 V C 2.671 178.836 176.094 0.117 0.000 1.047 159 V CA 1.749 64.120 62.300 0.118 0.000 1.015 159 V CB -0.506 31.393 31.823 0.127 0.000 0.642 159 V HN 0.235 nan 8.190 nan 0.000 0.446 160 I N -0.387 120.301 120.570 0.196 0.000 2.394 160 I HA -0.139 4.031 4.170 -0.000 0.000 0.251 160 I C 2.551 178.870 176.117 0.336 0.000 1.136 160 I CA 1.006 62.452 61.300 0.242 0.000 1.425 160 I CB -0.309 37.890 38.000 0.331 0.000 1.079 160 I HN 0.283 nan 8.210 nan 0.000 0.425 161 E N 0.689 121.029 120.200 0.233 0.000 2.028 161 E HA -0.188 4.162 4.350 -0.000 0.000 0.191 161 E C 1.826 178.531 176.600 0.174 0.000 0.988 161 E CA 1.349 57.867 56.400 0.197 0.000 0.799 161 E CB -0.720 29.062 29.700 0.136 0.000 0.755 161 E HN 0.593 nan 8.360 nan 0.000 0.447 162 N N 0.765 119.539 118.700 0.124 0.000 2.223 162 N HA -0.105 4.635 4.740 -0.000 0.000 0.185 162 N C 1.942 177.478 175.510 0.043 0.000 1.016 162 N CA 0.292 53.388 53.050 0.077 0.000 0.863 162 N CB -0.032 38.483 38.487 0.048 0.000 0.983 162 N HN 0.047 nan 8.380 nan 0.000 0.429 163 L N 0.390 121.629 121.223 0.027 0.000 2.083 163 L HA -0.201 4.139 4.340 -0.000 0.000 0.209 163 L C 1.666 178.485 176.870 -0.086 0.000 1.083 163 L CA 1.760 56.547 54.840 -0.088 0.000 0.752 163 L CB -0.297 41.647 42.059 -0.191 0.000 0.899 163 L HN 0.313 nan 8.230 nan 0.000 0.433 164 H N -1.066 118.070 119.070 0.110 0.000 2.372 164 H HA 0.014 4.570 4.556 -0.000 0.000 0.301 164 H C 2.228 177.666 175.328 0.184 0.000 1.065 164 H CA 1.234 57.410 56.048 0.215 0.000 1.364 164 H CB -0.011 29.869 29.762 0.196 0.000 1.406 164 H HN 0.398 nan 8.280 nan 0.000 0.521 165 A N 0.932 123.878 122.820 0.210 0.000 1.908 165 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 165 A C 2.475 180.103 177.584 0.072 0.000 1.181 165 A CA 1.792 53.906 52.037 0.128 0.000 0.627 165 A CB -1.085 17.974 19.000 0.097 0.000 0.818 165 A HN 0.480 nan 8.150 nan 0.000 0.445 166 A N -0.334 122.494 122.820 0.012 0.000 1.873 166 A HA 0.223 4.543 4.320 -0.000 0.000 0.215 166 A C 2.519 180.002 177.584 -0.169 0.000 1.186 166 A CA 1.983 53.982 52.037 -0.063 0.000 0.616 166 A CB -1.028 17.911 19.000 -0.101 0.000 0.823 166 A HN 1.061 nan 8.150 nan 0.000 0.442 167 A N -1.761 120.908 122.820 -0.252 0.000 1.933 167 A HA 0.173 4.492 4.320 -0.000 0.000 0.218 167 A C 0.741 177.878 177.584 -0.746 0.000 1.175 167 A CA 0.850 52.512 52.037 -0.625 0.000 0.628 167 A CB -0.383 18.239 19.000 -0.629 0.000 0.814 167 A HN 0.496 nan 8.150 nan 0.000 0.444 168 Y N -2.095 118.150 120.300 -0.092 0.000 2.509 168 Y HA 0.512 5.062 4.550 -0.000 0.000 0.341 168 Y C 1.220 177.114 175.900 -0.009 0.000 1.038 168 Y CA -0.921 57.161 58.100 -0.030 0.000 1.089 168 Y CB 1.423 39.895 38.460 0.021 0.000 1.241 168 Y HN -0.007 nan 8.280 nan 0.000 0.468 169 R N 0.609 121.202 120.500 0.154 0.000 2.276 169 R HA 0.023 4.363 4.340 -0.000 0.000 0.203 169 R C -0.219 176.102 176.300 0.036 0.000 1.017 169 R CA 0.558 56.671 56.100 0.021 0.000 1.010 169 R CB 0.039 30.325 30.300 -0.024 0.000 0.900 169 R HN 0.620 nan 8.270 nan 0.000 0.469 170 N N -2.750 115.993 118.700 0.073 0.000 2.859 170 N HA 0.288 5.028 4.740 -0.000 0.000 0.250 170 N C -0.331 175.154 175.510 -0.042 0.000 1.341 170 N CA 0.444 53.506 53.050 0.019 0.000 0.881 170 N CB 1.207 39.711 38.487 0.028 0.000 1.516 170 N HN -0.055 nan 8.380 nan 0.000 0.503 171 A N 0.921 123.686 122.820 -0.091 0.000 2.542 171 A HA -0.339 3.981 4.320 -0.000 0.000 0.365 171 A C 1.493 178.902 177.584 -0.291 0.000 1.621 171 A CA 2.395 54.312 52.037 -0.201 0.000 1.021 171 A CB -2.063 16.795 19.000 -0.237 0.000 1.485 171 A HN 0.674 nan 8.150 nan 0.000 0.685 172 L N -0.246 120.710 121.223 -0.445 0.000 2.362 172 L HA 0.013 4.353 4.340 -0.000 0.000 0.219 172 L C 2.919 179.660 176.870 -0.215 0.000 1.134 172 L CA 1.028 55.520 54.840 -0.579 0.000 0.807 172 L CB -0.508 40.852 42.059 -1.164 0.000 0.927 172 L HN 0.753 nan 8.230 nan 0.000 0.447 173 A N -0.150 122.654 122.820 -0.027 0.000 2.015 173 A HA -0.119 4.201 4.320 -0.000 0.000 0.219 173 A C 0.921 178.538 177.584 0.055 0.000 1.163 173 A CA 0.505 52.620 52.037 0.130 0.000 0.646 173 A CB -0.740 18.343 19.000 0.139 0.000 0.806 173 A HN 0.492 nan 8.150 nan 0.000 0.448 174 N N 0.411 119.092 118.700 -0.031 0.000 2.454 174 N HA 0.206 4.946 4.740 -0.000 0.000 0.254 174 N C -0.093 175.384 175.510 -0.056 0.000 1.228 174 N CA -0.106 52.921 53.050 -0.038 0.000 0.900 174 N CB 0.423 38.866 38.487 -0.073 0.000 1.089 174 N HN 0.216 nan 8.380 nan 0.000 0.449 175 S N 1.383 117.066 115.700 -0.029 0.000 2.580 175 S HA 0.122 4.592 4.470 -0.000 0.000 0.274 175 S C 1.278 175.789 174.600 -0.149 0.000 1.329 175 S CA -0.786 57.388 58.200 -0.044 0.000 1.036 175 S CB 0.530 63.746 63.200 0.026 0.000 0.919 175 S HN 0.370 nan 8.310 nan 0.000 0.515 176 L N 3.824 124.897 121.223 -0.249 0.000 2.265 176 L HA 0.095 4.435 4.340 -0.000 0.000 0.215 176 L C -0.187 176.167 176.870 -0.860 0.000 1.117 176 L CA 1.453 55.974 54.840 -0.532 0.000 0.782 176 L CB -0.984 40.671 42.059 -0.674 0.000 0.914 176 L HN 0.611 nan 8.230 nan 0.000 0.441 177 Y N -2.882 117.256 120.300 -0.271 0.000 2.429 177 Y HA 0.321 4.871 4.550 -0.000 0.000 0.342 177 Y C 0.502 176.360 175.900 -0.070 0.000 1.004 177 Y CA -1.402 56.481 58.100 -0.361 0.000 1.075 177 Y CB 0.981 39.272 38.460 -0.281 0.000 1.214 177 Y HN -0.291 nan 8.280 nan 0.000 0.455 178 C N 5.782 125.276 119.300 0.322 0.000 2.590 178 C HA 0.153 4.613 4.460 -0.000 0.000 0.411 178 C C -2.076 172.951 174.990 0.062 0.000 1.420 178 C CA -1.332 57.777 59.018 0.151 0.000 1.643 178 C CB -0.740 27.078 27.740 0.130 0.000 2.528 178 C HN 0.507 nan 8.230 nan 0.000 0.606 179 P HA 0.071 nan 4.420 nan 0.000 0.265 179 P C 0.417 177.666 177.300 -0.084 0.000 1.193 179 P CA 0.434 63.521 63.100 -0.022 0.000 0.765 179 P CB 0.499 32.177 31.700 -0.036 0.000 0.823 180 D N 1.839 122.257 120.400 0.031 0.000 2.149 180 D HA -0.228 4.412 4.640 -0.000 0.000 0.194 180 D C 1.664 177.975 176.300 0.018 0.000 1.001 180 D CA 1.824 55.844 54.000 0.032 0.000 0.849 180 D CB -0.854 39.989 40.800 0.072 0.000 0.939 180 D HN 0.620 nan 8.370 nan 0.000 0.449 181 Y N 0.066 120.375 120.300 0.015 0.000 2.352 181 Y HA 0.028 4.578 4.550 -0.000 0.000 0.292 181 Y C 1.787 177.691 175.900 0.005 0.000 1.136 181 Y CA 0.820 58.926 58.100 0.010 0.000 1.227 181 Y CB -0.199 38.267 38.460 0.010 0.000 0.991 181 Y HN -0.210 nan 8.280 nan 0.000 0.545 182 R N 1.153 121.226 120.500 -0.712 0.000 2.275 182 R HA 0.205 4.545 4.340 -0.000 0.000 0.199 182 R C 0.202 176.360 176.300 -0.236 0.000 0.989 182 R CA 0.100 55.885 56.100 -0.525 0.000 1.016 182 R CB -0.360 29.571 30.300 -0.615 0.000 0.918 182 R HN 0.403 nan 8.270 nan 0.000 0.473 183 I N 0.961 121.435 120.570 -0.162 0.000 2.587 183 I HA -0.029 4.141 4.170 -0.000 0.000 0.284 183 I C 1.270 177.344 176.117 -0.071 0.000 1.134 183 I CA 0.926 62.165 61.300 -0.102 0.000 1.410 183 I CB 0.643 38.605 38.000 -0.064 0.000 1.392 183 I HN 0.397 nan 8.210 nan 0.000 0.545 184 G N 5.172 113.929 108.800 -0.072 0.000 2.195 184 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.246 184 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.246 184 G C 0.963 175.835 174.900 -0.046 0.000 0.984 184 G CA -0.169 44.902 45.100 -0.048 0.000 0.633 184 G HN 0.589 nan 8.290 nan 0.000 0.525 185 K N -0.225 120.135 120.400 -0.067 0.000 2.412 185 K HA 0.336 4.656 4.320 -0.000 0.000 0.202 185 K C 1.091 177.648 176.600 -0.072 0.000 1.102 185 K CA 0.550 56.805 56.287 -0.054 0.000 1.027 185 K CB 1.500 33.976 32.500 -0.040 0.000 0.931 185 K HN 0.691 nan 8.250 nan 0.000 0.557 186 V N 3.208 123.058 119.914 -0.106 0.000 2.572 186 V HA 0.130 4.250 4.120 -0.000 0.000 0.291 186 V C -0.026 175.998 176.094 -0.117 0.000 1.039 186 V CA 0.096 62.323 62.300 -0.122 0.000 1.055 186 V CB 0.654 32.379 31.823 -0.163 0.000 0.969 186 V HN 0.381 nan 8.190 nan 0.000 0.482 187 T N 4.059 118.547 114.554 -0.110 0.000 2.945 187 T HA 0.597 4.947 4.350 -0.000 0.000 0.286 187 T C -1.880 172.737 174.700 -0.138 0.000 1.025 187 T CA -1.793 60.253 62.100 -0.090 0.000 1.039 187 T CB 1.497 70.338 68.868 -0.045 0.000 1.068 187 T HN 0.457 nan 8.240 nan 0.000 0.497 188 P HA -0.142 nan 4.420 nan 0.000 0.216 188 P C 1.816 179.112 177.300 -0.007 0.000 1.153 188 P CA 0.639 63.686 63.100 -0.088 0.000 0.858 188 P CB -0.187 31.524 31.700 0.020 0.000 0.789 189 V N 0.326 120.267 119.914 0.045 0.000 2.287 189 V HA -0.300 3.820 4.120 -0.000 0.000 0.248 189 V C 2.051 178.159 176.094 0.024 0.000 1.053 189 V CA 2.148 64.492 62.300 0.075 0.000 1.027 189 V CB -0.992 30.854 31.823 0.038 0.000 0.646 189 V HN 0.092 nan 8.190 nan 0.000 0.447 190 E N -0.173 120.003 120.200 -0.041 0.000 2.118 190 E HA -0.215 4.135 4.350 -0.000 0.000 0.195 190 E C 2.198 178.738 176.600 -0.101 0.000 0.992 190 E CA 1.810 58.184 56.400 -0.043 0.000 0.804 190 E CB -0.260 29.405 29.700 -0.058 0.000 0.741 190 E HN 0.635 nan 8.360 nan 0.000 0.458 191 L N 0.396 121.421 121.223 -0.330 0.000 2.017 191 L HA -0.220 4.120 4.340 -0.000 0.000 0.208 191 L C 2.581 179.149 176.870 -0.503 0.000 1.073 191 L CA 1.110 55.523 54.840 -0.711 0.000 0.745 191 L CB -0.586 40.510 42.059 -1.606 0.000 0.894 191 L HN 0.270 nan 8.230 nan 0.000 0.432 192 H N 0.003 118.945 119.070 -0.214 0.000 2.319 192 H HA -0.168 4.388 4.556 -0.000 0.000 0.299 192 H C 1.929 177.260 175.328 0.004 0.000 1.092 192 H CA 1.769 57.846 56.048 0.048 0.000 1.302 192 H CB -0.146 29.661 29.762 0.075 0.000 1.373 192 H HN 0.355 nan 8.280 nan 0.000 0.497 193 D N -0.081 120.385 120.400 0.111 0.000 2.144 193 D HA -0.151 4.489 4.640 -0.000 0.000 0.199 193 D C 2.105 178.419 176.300 0.024 0.000 0.984 193 D CA 0.723 54.751 54.000 0.047 0.000 0.834 193 D CB -0.588 40.235 40.800 0.039 0.000 0.955 193 D HN 0.351 nan 8.370 nan 0.000 0.465 194 Y N 1.139 121.418 120.300 -0.035 0.000 2.145 194 Y HA -0.207 4.343 4.550 -0.000 0.000 0.286 194 Y C 2.327 178.253 175.900 0.043 0.000 1.145 194 Y CA 1.078 59.224 58.100 0.076 0.000 1.148 194 Y CB -0.145 38.349 38.460 0.056 0.000 0.981 194 Y HN -0.207 nan 8.280 nan 0.000 0.507 195 V N -0.044 119.870 119.914 0.000 0.000 2.427 195 V HA -0.320 3.800 4.120 -0.000 0.000 0.248 195 V C 1.971 178.005 176.094 -0.098 0.000 1.051 195 V CA 2.226 64.322 62.300 -0.339 0.000 1.048 195 V CB -0.580 30.995 31.823 -0.413 0.000 0.666 195 V HN 0.428 nan 8.190 nan 0.000 0.456 196 Q N 0.327 120.098 119.800 -0.048 0.000 2.311 196 Q HA -0.061 4.279 4.340 -0.000 0.000 0.203 196 Q C 1.830 177.767 176.000 -0.104 0.000 0.954 196 Q CA 1.331 57.112 55.803 -0.037 0.000 0.885 196 Q CB -0.074 28.656 28.738 -0.012 0.000 0.963 196 Q HN 0.906 nan 8.270 nan 0.000 0.471 197 N N -1.824 116.727 118.700 -0.247 0.000 2.236 197 N HA -0.023 4.717 4.740 -0.000 0.000 0.196 197 N C 0.462 175.620 175.510 -0.588 0.000 1.114 197 N CA 0.156 52.954 53.050 -0.420 0.000 0.859 197 N CB 0.318 38.555 38.487 -0.417 0.000 0.982 197 N HN 0.310 nan 8.380 nan 0.000 0.493 198 H N -1.044 117.982 119.070 -0.073 0.000 3.091 198 H HA 0.261 4.817 4.556 -0.000 0.000 0.249 198 H C -0.353 175.066 175.328 0.152 0.000 0.985 198 H CA -0.282 55.733 56.048 -0.055 0.000 1.177 198 H CB 0.336 29.996 29.762 -0.170 0.000 1.456 198 H HN 0.039 nan 8.280 nan 0.000 0.467 199 F N 3.360 123.320 119.950 0.017 0.000 2.660 199 F HA 0.222 4.749 4.527 -0.000 0.000 0.342 199 F C 0.569 176.359 175.800 -0.017 0.000 1.195 199 F CA -0.546 57.462 58.000 0.013 0.000 1.300 199 F CB -0.528 38.485 39.000 0.021 0.000 1.616 199 F HN -0.000 nan 8.300 nan 0.000 0.592 200 T N -4.294 110.320 114.554 0.099 0.000 2.924 200 T HA 0.330 4.680 4.350 -0.000 0.000 0.291 200 T C 1.282 175.990 174.700 0.013 0.000 1.045 200 T CA -0.646 61.480 62.100 0.042 0.000 1.015 200 T CB 1.735 70.608 68.868 0.008 0.000 1.103 200 T HN 0.000 nan 8.240 nan 0.000 0.496 201 S N 1.053 116.757 115.700 0.006 0.000 2.372 201 S HA -0.154 4.316 4.470 -0.000 0.000 0.227 201 S C 2.223 176.818 174.600 -0.008 0.000 1.044 201 S CA 1.574 59.772 58.200 -0.004 0.000 1.050 201 S CB -0.865 62.331 63.200 -0.007 0.000 0.901 201 S HN 0.993 nan 8.310 nan 0.000 0.447 202 A N 0.498 123.313 122.820 -0.008 0.000 2.235 202 A HA 0.135 4.455 4.320 -0.000 0.000 0.208 202 A C 1.752 179.331 177.584 -0.007 0.000 1.172 202 A CA 0.325 52.359 52.037 -0.005 0.000 0.786 202 A CB -0.120 18.878 19.000 -0.004 0.000 0.804 202 A HN 0.420 nan 8.150 nan 0.000 0.479 203 R N -1.526 118.964 120.500 -0.017 0.000 2.508 203 R HA 0.407 4.747 4.340 -0.000 0.000 0.300 203 R C -0.394 175.890 176.300 -0.025 0.000 0.970 203 R CA -0.001 56.081 56.100 -0.030 0.000 1.102 203 R CB 0.433 30.698 30.300 -0.059 0.000 1.246 203 R HN 0.412 nan 8.270 nan 0.000 0.539 204 M N 0.157 119.747 119.600 -0.016 0.000 2.598 204 M HA 0.588 5.068 4.480 -0.000 0.000 0.317 204 M C -1.019 175.287 176.300 0.009 0.000 1.179 204 M CA -0.856 54.437 55.300 -0.012 0.000 0.936 204 M CB 2.498 35.078 32.600 -0.033 0.000 1.713 204 M HN -0.053 nan 8.290 nan 0.000 0.460 205 A N 2.242 125.092 122.820 0.049 0.000 2.374 205 A HA 0.798 5.118 4.320 -0.000 0.000 0.305 205 A C -1.833 175.805 177.584 0.091 0.000 1.053 205 A CA -0.599 51.462 52.037 0.039 0.000 0.726 205 A CB 1.372 20.389 19.000 0.029 0.000 1.229 205 A HN 0.737 nan 8.150 nan 0.000 0.431 206 L N 4.527 125.763 121.223 0.022 0.000 2.277 206 L HA 0.590 4.930 4.340 -0.000 0.000 0.284 206 L C -1.046 175.843 176.870 0.032 0.000 1.028 206 L CA -0.304 54.561 54.840 0.041 0.000 0.835 206 L CB 0.628 42.682 42.059 -0.008 0.000 1.215 206 L HN 0.544 nan 8.230 nan 0.000 0.425 207 I N 4.006 124.648 120.570 0.121 0.000 2.441 207 I HA 0.715 4.885 4.170 -0.000 0.000 0.295 207 I C 0.537 176.714 176.117 0.100 0.000 0.994 207 I CA -0.572 60.782 61.300 0.091 0.000 1.144 207 I CB 1.324 39.378 38.000 0.090 0.000 1.314 207 I HN 0.675 nan 8.210 nan 0.000 0.445 208 G N 5.594 114.435 108.800 0.069 0.000 2.732 208 G HA2 0.613 4.573 3.960 -0.000 0.000 0.295 208 G HA3 0.613 4.573 3.960 -0.000 0.000 0.295 208 G C -1.727 173.220 174.900 0.078 0.000 1.456 208 G CA -0.355 44.785 45.100 0.067 0.000 1.050 208 G HN 0.316 nan 8.290 nan 0.000 0.525 209 L N 1.784 123.058 121.223 0.084 0.000 2.296 209 L HA 0.664 5.004 4.340 -0.000 0.000 0.286 209 L C 1.179 178.065 176.870 0.027 0.000 1.023 209 L CA 0.894 55.779 54.840 0.076 0.000 0.812 209 L CB 1.683 43.812 42.059 0.117 0.000 1.223 209 L HN 1.244 nan 8.230 nan 0.000 0.421 210 G N 2.805 111.596 108.800 -0.015 0.000 2.147 210 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.244 210 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.244 210 G C -0.079 174.805 174.900 -0.026 0.000 1.005 210 G CA 0.226 45.300 45.100 -0.043 0.000 0.713 210 G HN 0.796 nan 8.290 nan 0.000 0.515 211 V N -1.729 118.177 119.914 -0.013 0.000 2.769 211 V HA 0.928 5.048 4.120 -0.000 0.000 0.312 211 V C 0.758 176.851 176.094 -0.002 0.000 1.058 211 V CA -0.361 61.936 62.300 -0.005 0.000 0.952 211 V CB 1.623 33.447 31.823 0.003 0.000 1.019 211 V HN 1.435 nan 8.190 nan 0.000 0.445 212 S N 0.486 116.191 115.700 0.008 0.000 2.576 212 S HA 0.170 4.640 4.470 -0.000 0.000 0.276 212 S C 0.872 175.505 174.600 0.055 0.000 1.339 212 S CA 0.484 58.704 58.200 0.033 0.000 1.039 212 S CB 0.374 63.595 63.200 0.035 0.000 0.902 212 S HN 0.970 nan 8.310 nan 0.000 0.516 213 H N 3.438 122.502 119.070 -0.010 0.000 2.353 213 H HA 0.078 4.634 4.556 -0.000 0.000 0.300 213 H C -1.164 174.162 175.328 -0.004 0.000 1.090 213 H CA 2.304 58.347 56.048 -0.008 0.000 1.327 213 H CB -1.153 28.607 29.762 -0.003 0.000 1.383 213 H HN 0.559 nan 8.280 nan 0.000 0.508 214 P HA -0.170 nan 4.420 nan 0.000 0.215 214 P C 1.680 178.964 177.300 -0.027 0.000 1.153 214 P CA 1.225 64.331 63.100 0.010 0.000 0.853 214 P CB 0.053 31.774 31.700 0.036 0.000 0.788 215 V N -0.604 119.299 119.914 -0.019 0.000 2.295 215 V HA -0.216 3.904 4.120 -0.000 0.000 0.246 215 V C 2.482 178.550 176.094 -0.042 0.000 1.049 215 V CA 1.554 63.843 62.300 -0.018 0.000 1.024 215 V CB -1.119 30.701 31.823 -0.005 0.000 0.648 215 V HN 0.084 nan 8.190 nan 0.000 0.447 216 L N -0.480 120.690 121.223 -0.088 0.000 1.994 216 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 216 L C 2.706 179.484 176.870 -0.155 0.000 1.071 216 L CA 1.868 56.633 54.840 -0.125 0.000 0.745 216 L CB -0.615 41.340 42.059 -0.173 0.000 0.892 216 L HN 0.305 nan 8.230 nan 0.000 0.431 217 K N -0.174 120.078 120.400 -0.245 0.000 2.059 217 K HA -0.317 4.003 4.320 -0.000 0.000 0.212 217 K C 2.109 178.658 176.600 -0.085 0.000 1.050 217 K CA 2.247 58.420 56.287 -0.188 0.000 0.927 217 K CB -0.085 32.307 32.500 -0.180 0.000 0.714 217 K HN 0.192 nan 8.250 nan 0.000 0.447 218 Q N 0.872 120.641 119.800 -0.053 0.000 2.061 218 Q HA -0.127 4.213 4.340 -0.000 0.000 0.204 218 Q C 1.864 177.880 176.000 0.027 0.000 0.984 218 Q CA 1.935 57.730 55.803 -0.014 0.000 0.846 218 Q CB -0.537 28.203 28.738 0.003 0.000 0.902 218 Q HN 0.130 nan 8.270 nan 0.000 0.421 219 V N 1.100 121.048 119.914 0.057 0.000 2.332 219 V HA -0.293 3.827 4.120 -0.000 0.000 0.248 219 V C 2.382 178.562 176.094 0.143 0.000 1.055 219 V CA 1.930 64.325 62.300 0.159 0.000 1.038 219 V CB -1.370 30.499 31.823 0.076 0.000 0.651 219 V HN 0.569 nan 8.190 nan 0.000 0.450 220 A N -0.549 122.290 122.820 0.031 0.000 1.898 220 A HA -0.227 4.093 4.320 -0.000 0.000 0.216 220 A C 2.168 179.744 177.584 -0.013 0.000 1.181 220 A CA 1.858 53.896 52.037 0.002 0.000 0.620 220 A CB -0.406 18.563 19.000 -0.052 0.000 0.819 220 A HN 0.636 nan 8.150 nan 0.000 0.442 221 E N -0.967 119.211 120.200 -0.038 0.000 2.158 221 E HA -0.129 4.221 4.350 -0.000 0.000 0.191 221 E C 2.241 178.767 176.600 -0.123 0.000 0.982 221 E CA 0.802 57.162 56.400 -0.067 0.000 0.823 221 E CB -0.078 29.585 29.700 -0.062 0.000 0.766 221 E HN 0.657 nan 8.360 nan 0.000 0.468 222 Q N -0.678 119.018 119.800 -0.173 0.000 2.096 222 Q HA -0.048 4.292 4.340 -0.000 0.000 0.197 222 Q C 1.129 176.729 176.000 -0.666 0.000 0.964 222 Q CA 1.061 56.582 55.803 -0.469 0.000 0.838 222 Q CB 0.288 28.655 28.738 -0.618 0.000 0.906 222 Q HN 0.265 nan 8.270 nan 0.000 0.444 223 F N -1.430 118.500 119.950 -0.033 0.000 2.752 223 F HA 0.190 4.717 4.527 -0.000 0.000 0.310 223 F C 1.119 176.903 175.800 -0.027 0.000 1.097 223 F CA 0.112 58.094 58.000 -0.031 0.000 1.238 223 F CB 0.721 39.701 39.000 -0.034 0.000 1.061 223 F HN -0.111 nan 8.300 nan 0.000 0.591 224 L N -0.106 121.173 121.223 0.093 0.000 3.110 224 L HA 0.257 4.597 4.340 -0.000 0.000 0.266 224 L C 0.047 176.925 176.870 0.014 0.000 1.257 224 L CA -0.124 54.748 54.840 0.055 0.000 1.038 224 L CB -0.187 41.897 42.059 0.043 0.000 1.395 224 L HN -0.088 nan 8.230 nan 0.000 0.566 225 N N 2.097 120.793 118.700 -0.007 0.000 2.868 225 N HA 0.231 4.970 4.740 -0.000 0.000 0.252 225 N C -0.789 174.716 175.510 -0.009 0.000 1.130 225 N CA -0.025 53.014 53.050 -0.019 0.000 1.026 225 N CB 0.237 38.699 38.487 -0.042 0.000 1.335 225 N HN 0.062 nan 8.380 nan 0.000 0.516 226 I N 1.271 121.843 120.570 0.004 0.000 2.474 226 I HA 0.487 4.657 4.170 -0.000 0.000 0.294 226 I C 0.127 176.245 176.117 0.001 0.000 1.005 226 I CA -0.701 60.604 61.300 0.009 0.000 1.113 226 I CB 1.603 39.623 38.000 0.032 0.000 1.289 226 I HN 0.314 nan 8.210 nan 0.000 0.436 227 R N 2.971 123.467 120.500 -0.006 0.000 2.548 227 R HA 0.609 4.949 4.340 -0.000 0.000 0.280 227 R C -0.656 175.633 176.300 -0.018 0.000 1.061 227 R CA -0.452 55.641 56.100 -0.012 0.000 0.915 227 R CB 2.299 32.591 30.300 -0.014 0.000 1.210 227 R HN 0.959 nan 8.270 nan 0.000 0.442 228 G N 1.809 110.593 108.800 -0.026 0.000 4.775 228 G HA2 0.402 4.362 3.960 -0.000 0.000 0.222 228 G HA3 0.402 4.362 3.960 -0.000 0.000 0.222 228 G C -0.588 174.277 174.900 -0.059 0.000 0.974 228 G CA 0.113 45.192 45.100 -0.036 0.000 0.614 228 G HN 0.777 nan 8.290 nan 0.000 0.427 229 G N -0.351 108.409 108.800 -0.066 0.000 3.222 229 G HA2 0.651 4.611 3.960 -0.000 0.000 0.263 229 G HA3 0.651 4.611 3.960 -0.000 0.000 0.263 229 G C -0.485 174.360 174.900 -0.092 0.000 1.312 229 G CA -0.852 44.182 45.100 -0.110 0.000 0.934 229 G HN 0.210 nan 8.290 nan 0.000 0.577 230 L N -0.059 121.094 121.223 -0.118 0.000 2.479 230 L HA 0.419 4.759 4.340 -0.000 0.000 0.248 230 L C 1.752 178.597 176.870 -0.041 0.000 1.205 230 L CA 0.958 55.759 54.840 -0.066 0.000 0.817 230 L CB 1.016 43.042 42.059 -0.054 0.000 1.162 230 L HN 0.759 nan 8.230 nan 0.000 0.486 231 G N 0.313 109.107 108.800 -0.011 0.000 2.865 231 G HA2 0.196 4.156 3.960 -0.000 0.000 0.204 231 G HA3 0.196 4.156 3.960 -0.000 0.000 0.204 231 G C 0.384 175.295 174.900 0.019 0.000 1.140 231 G CA -0.132 44.969 45.100 0.001 0.000 0.842 231 G HN 0.295 nan 8.290 nan 0.000 0.631 232 L N 0.861 122.113 121.223 0.048 0.000 2.470 232 L HA 0.346 4.686 4.340 -0.000 0.000 0.243 232 L C 1.828 178.773 176.870 0.125 0.000 1.227 232 L CA 0.115 55.002 54.840 0.079 0.000 0.824 232 L CB 0.558 42.671 42.059 0.089 0.000 1.175 232 L HN -0.030 nan 8.230 nan 0.000 0.503 233 S N -0.614 115.178 115.700 0.153 0.000 2.660 233 S HA 0.367 4.837 4.470 -0.000 0.000 0.223 233 S C 0.449 175.210 174.600 0.267 0.000 0.963 233 S CA 0.599 58.946 58.200 0.244 0.000 0.932 233 S CB -0.637 62.661 63.200 0.163 0.000 0.775 233 S HN 0.927 nan 8.310 nan 0.000 0.531 234 G N 0.418 109.355 108.800 0.228 0.000 2.373 234 G HA2 0.376 4.336 3.960 -0.000 0.000 0.250 234 G HA3 0.376 4.336 3.960 -0.000 0.000 0.250 234 G C -1.190 173.788 174.900 0.130 0.000 1.304 234 G CA -0.473 44.781 45.100 0.256 0.000 0.948 234 G HN 0.378 nan 8.290 nan 0.000 0.474 235 A N 0.535 123.412 122.820 0.095 0.000 2.491 235 A HA 0.540 4.860 4.320 -0.000 0.000 0.261 235 A C 0.737 178.332 177.584 0.018 0.000 1.101 235 A CA 0.316 52.382 52.037 0.049 0.000 0.772 235 A CB 0.136 19.160 19.000 0.039 0.000 1.043 235 A HN 0.655 nan 8.150 nan 0.000 0.501 236 K N 2.281 122.700 120.400 0.031 0.000 2.484 236 K HA 0.197 4.517 4.320 -0.000 0.000 0.280 236 K C 0.452 177.065 176.600 0.021 0.000 1.013 236 K CA 0.332 56.636 56.287 0.029 0.000 1.029 236 K CB 0.355 32.886 32.500 0.051 0.000 0.902 236 K HN 0.796 nan 8.250 nan 0.000 0.481 237 A N 5.550 128.368 122.820 -0.003 0.000 2.484 237 A HA 0.037 4.357 4.320 -0.000 0.000 0.268 237 A C -0.301 177.388 177.584 0.174 0.000 1.114 237 A CA 0.180 52.219 52.037 0.004 0.000 0.780 237 A CB -0.077 18.819 19.000 -0.173 0.000 1.061 237 A HN 0.631 nan 8.150 nan 0.000 0.505 238 K N 3.159 123.679 120.400 0.200 0.000 2.273 238 K HA 0.129 4.449 4.320 -0.000 0.000 0.287 238 K C -0.836 175.982 176.600 0.363 0.000 1.089 238 K CA -0.160 56.269 56.287 0.235 0.000 0.909 238 K CB 0.720 33.299 32.500 0.131 0.000 1.123 238 K HN 0.703 nan 8.250 nan 0.000 0.473 239 Y N 3.284 123.736 120.300 0.252 0.000 2.526 239 Y HA -0.143 4.407 4.550 -0.000 0.000 0.330 239 Y C 1.339 177.282 175.900 0.071 0.000 1.156 239 Y CA 0.958 59.087 58.100 0.047 0.000 1.419 239 Y CB 0.261 38.706 38.460 -0.025 0.000 1.250 239 Y HN 0.638 nan 8.280 nan 0.000 0.540 240 H N 3.745 122.429 119.070 -0.644 0.000 2.274 240 H HA 0.345 4.901 4.556 -0.000 0.000 0.271 240 H C 0.594 175.614 175.328 -0.513 0.000 0.945 240 H CA 0.593 56.408 56.048 -0.388 0.000 1.200 240 H CB 0.679 30.284 29.762 -0.261 0.000 1.456 240 H HN 0.885 nan 8.280 nan 0.000 0.536 241 G N -0.095 108.079 108.800 -1.044 0.000 2.692 241 G HA2 0.289 4.249 3.960 -0.000 0.000 0.686 241 G HA3 0.289 4.249 3.960 -0.000 0.000 0.686 241 G C -0.062 174.404 174.900 -0.723 0.000 1.243 241 G CA -0.287 44.352 45.100 -0.768 0.000 0.782 241 G HN 1.095 nan 8.290 nan 0.000 0.625 242 G N 0.168 108.717 108.800 -0.419 0.000 2.359 242 G HA2 0.707 4.667 3.960 -0.000 0.000 0.293 242 G HA3 0.707 4.667 3.960 -0.000 0.000 0.293 242 G C -0.850 173.946 174.900 -0.173 0.000 1.300 242 G CA 0.640 45.569 45.100 -0.285 0.000 0.888 242 G HN 2.073 nan 8.290 nan 0.000 0.541 243 E N -0.916 119.226 120.200 -0.096 0.000 2.293 243 E HA 0.716 5.066 4.350 -0.000 0.000 0.270 243 E C -1.327 175.254 176.600 -0.032 0.000 0.879 243 E CA -1.022 55.340 56.400 -0.064 0.000 0.756 243 E CB 2.620 32.309 29.700 -0.020 0.000 1.208 243 E HN 0.527 nan 8.360 nan 0.000 0.428 244 I N 2.040 122.582 120.570 -0.047 0.000 2.465 244 I HA 0.437 4.607 4.170 -0.000 0.000 0.291 244 I C -0.229 175.861 176.117 -0.045 0.000 1.014 244 I CA -0.887 60.398 61.300 -0.025 0.000 1.093 244 I CB 1.857 39.851 38.000 -0.010 0.000 1.267 244 I HN 0.349 nan 8.210 nan 0.000 0.431 245 R N 4.726 125.206 120.500 -0.033 0.000 2.480 245 R HA 0.410 4.750 4.340 -0.000 0.000 0.306 245 R C -0.876 175.396 176.300 -0.047 0.000 0.958 245 R CA -0.699 55.361 56.100 -0.065 0.000 0.861 245 R CB 2.532 32.787 30.300 -0.075 0.000 1.171 245 R HN 0.556 nan 8.270 nan 0.000 0.445 246 E N 3.041 123.202 120.200 -0.064 0.000 2.267 246 E HA 0.075 4.425 4.350 -0.000 0.000 0.248 246 E C -0.801 175.755 176.600 -0.073 0.000 0.899 246 E CA -0.602 55.764 56.400 -0.057 0.000 0.764 246 E CB 1.171 30.835 29.700 -0.059 0.000 1.227 246 E HN 0.303 nan 8.360 nan 0.000 0.421 247 Q N 2.256 122.020 119.800 -0.058 0.000 2.274 247 Q HA 0.059 4.399 4.340 -0.000 0.000 0.280 247 Q C -0.122 175.844 176.000 -0.056 0.000 1.047 247 Q CA 0.862 56.632 55.803 -0.055 0.000 0.907 247 Q CB 0.737 29.451 28.738 -0.040 0.000 1.171 247 Q HN 0.677 nan 8.270 nan 0.000 0.381 248 N N 0.565 119.232 118.700 -0.056 0.000 2.430 248 N HA 0.064 4.803 4.740 -0.000 0.000 0.235 248 N C 0.160 175.649 175.510 -0.035 0.000 1.108 248 N CA 0.259 53.274 53.050 -0.057 0.000 0.834 248 N CB 0.576 39.014 38.487 -0.080 0.000 1.430 248 N HN 0.744 nan 8.380 nan 0.000 0.463 249 G N 2.246 111.031 108.800 -0.025 0.000 2.247 249 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.265 249 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.265 249 G C -0.366 174.531 174.900 -0.006 0.000 0.861 249 G CA 0.614 45.708 45.100 -0.010 0.000 1.289 249 G HN 0.312 nan 8.290 nan 0.000 0.403 250 D N 0.035 120.434 120.400 -0.001 0.000 2.358 250 D HA 0.306 4.946 4.640 -0.000 0.000 0.224 250 D C 1.593 177.911 176.300 0.030 0.000 1.123 250 D CA 1.096 55.100 54.000 0.008 0.000 0.833 250 D CB 0.148 40.948 40.800 -0.000 0.000 0.946 250 D HN 0.552 nan 8.370 nan 0.000 0.505 251 S N -1.219 114.497 115.700 0.026 0.000 1.980 251 S HA -0.268 4.202 4.470 -0.000 0.000 0.219 251 S C 0.298 174.921 174.600 0.039 0.000 1.055 251 S CA 1.225 59.443 58.200 0.030 0.000 1.668 251 S CB -1.157 62.061 63.200 0.030 0.000 2.236 251 S HN 0.362 nan 8.310 nan 0.000 0.569 252 L N 1.737 122.997 121.223 0.061 0.000 2.334 252 L HA 0.728 5.068 4.340 -0.000 0.000 0.276 252 L C -0.192 176.737 176.870 0.098 0.000 1.014 252 L CA -1.021 53.862 54.840 0.071 0.000 0.815 252 L CB 1.868 43.977 42.059 0.084 0.000 1.268 252 L HN 0.082 nan 8.230 nan 0.000 0.428 253 V N 1.901 121.843 119.914 0.047 0.000 2.407 253 V HA 0.254 4.374 4.120 -0.000 0.000 0.278 253 V C -0.121 175.982 176.094 0.016 0.000 1.037 253 V CA -0.443 61.882 62.300 0.041 0.000 0.900 253 V CB 0.945 32.761 31.823 -0.012 0.000 0.983 253 V HN 0.569 nan 8.190 nan 0.000 0.459 254 H N 3.812 122.850 119.070 -0.054 0.000 2.519 254 H HA 0.674 5.230 4.556 -0.000 0.000 0.316 254 H C -0.025 175.128 175.328 -0.293 0.000 1.065 254 H CA -0.218 55.763 56.048 -0.112 0.000 1.264 254 H CB 1.857 31.627 29.762 0.013 0.000 1.413 254 H HN 0.751 nan 8.280 nan 0.000 0.465 255 A N 2.552 125.153 122.820 -0.365 0.000 2.401 255 A HA 0.766 5.086 4.320 -0.000 0.000 0.310 255 A C -0.950 176.213 177.584 -0.700 0.000 1.075 255 A CA -0.602 51.188 52.037 -0.412 0.000 0.746 255 A CB 1.529 20.393 19.000 -0.226 0.000 1.277 255 A HN 0.725 nan 8.150 nan 0.000 0.425 256 A N 1.726 124.195 122.820 -0.585 0.000 2.359 256 A HA 0.691 5.011 4.320 -0.000 0.000 0.303 256 A C -1.121 176.170 177.584 -0.488 0.000 1.066 256 A CA -0.309 51.390 52.037 -0.563 0.000 0.730 256 A CB 0.914 19.574 19.000 -0.568 0.000 1.211 256 A HN 0.920 nan 8.150 nan 0.000 0.439 257 L N 3.110 123.944 121.223 -0.647 0.000 2.329 257 L HA 0.797 5.137 4.340 -0.000 0.000 0.279 257 L C -1.200 175.418 176.870 -0.421 0.000 1.014 257 L CA -0.706 53.765 54.840 -0.614 0.000 0.814 257 L CB 1.766 43.263 42.059 -0.937 0.000 1.257 257 L HN 0.544 nan 8.230 nan 0.000 0.424 258 V N 3.011 122.836 119.914 -0.148 0.000 3.012 258 V HA 0.823 4.943 4.120 -0.000 0.000 0.307 258 V C -0.800 175.385 176.094 0.152 0.000 1.166 258 V CA -0.434 61.894 62.300 0.047 0.000 0.974 258 V CB 2.251 34.034 31.823 -0.066 0.000 1.040 258 V HN 0.885 nan 8.190 nan 0.000 0.428 259 A N 2.629 125.614 122.820 0.275 0.000 2.479 259 A HA 0.809 5.129 4.320 -0.000 0.000 0.296 259 A C -0.552 176.977 177.584 -0.090 0.000 1.121 259 A CA -0.653 51.441 52.037 0.095 0.000 0.743 259 A CB 1.520 20.574 19.000 0.089 0.000 1.323 259 A HN 0.886 nan 8.150 nan 0.000 0.415 260 E N 0.394 120.246 120.200 -0.579 0.000 2.415 260 E HA 0.291 4.641 4.350 -0.000 0.000 0.263 260 E C 0.745 177.169 176.600 -0.293 0.000 0.995 260 E CA 0.564 56.597 56.400 -0.613 0.000 0.915 260 E CB 0.461 29.546 29.700 -1.025 0.000 0.951 260 E HN 0.717 nan 8.360 nan 0.000 0.449 261 S N 3.434 118.942 115.700 -0.319 0.000 3.541 261 S HA 0.718 5.188 4.470 -0.000 0.000 0.180 261 S C -0.155 174.259 174.600 -0.311 0.000 0.887 261 S CA -0.176 57.632 58.200 -0.655 0.000 1.264 261 S CB 0.346 62.694 63.200 -1.420 0.000 0.873 261 S HN 0.617 nan 8.310 nan 0.000 0.809 262 A N 0.274 122.933 122.820 -0.269 0.000 2.455 262 A HA 0.849 5.169 4.320 -0.000 0.000 0.300 262 A C -0.252 177.333 177.584 0.001 0.000 1.040 262 A CA -0.463 51.562 52.037 -0.021 0.000 0.697 262 A CB 1.035 20.113 19.000 0.130 0.000 1.265 262 A HN 1.348 nan 8.150 nan 0.000 0.407 263 A N 1.594 124.440 122.820 0.044 0.000 2.531 263 A HA 0.438 4.758 4.320 -0.000 0.000 0.236 263 A C 0.483 178.088 177.584 0.035 0.000 1.062 263 A CA 0.027 52.097 52.037 0.056 0.000 0.760 263 A CB -0.238 18.802 19.000 0.067 0.000 0.995 263 A HN 1.289 nan 8.150 nan 0.000 0.501 264 I N 1.660 122.245 120.570 0.026 0.000 2.880 264 I HA 0.230 4.400 4.170 -0.000 0.000 0.296 264 I C 1.488 177.609 176.117 0.007 0.000 1.220 264 I CA 1.837 63.140 61.300 0.005 0.000 1.435 264 I CB 0.448 38.449 38.000 0.001 0.000 1.339 264 I HN 1.237 nan 8.210 nan 0.000 0.583 265 G N 4.508 113.301 108.800 -0.012 0.000 2.296 265 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.282 265 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.282 265 G C 0.249 175.145 174.900 -0.008 0.000 1.014 265 G CA 0.565 45.653 45.100 -0.021 0.000 0.812 265 G HN 1.030 nan 8.290 nan 0.000 0.508 266 S N -1.396 114.309 115.700 0.009 0.000 2.632 266 S HA 0.781 5.251 4.470 -0.000 0.000 0.271 266 S C 1.683 176.288 174.600 0.009 0.000 1.260 266 S CA 0.363 58.572 58.200 0.015 0.000 1.010 266 S CB 1.965 65.187 63.200 0.036 0.000 0.965 266 S HN 1.567 nan 8.310 nan 0.000 0.534 267 A N 0.816 123.638 122.820 0.003 0.000 1.933 267 A HA -0.099 4.221 4.320 -0.000 0.000 0.218 267 A C 2.069 179.655 177.584 0.003 0.000 1.175 267 A CA 1.699 53.731 52.037 -0.009 0.000 0.628 267 A CB -1.152 17.838 19.000 -0.016 0.000 0.814 267 A HN 0.998 nan 8.150 nan 0.000 0.444 268 E N -0.315 119.905 120.200 0.034 0.000 2.153 268 E HA -0.145 4.205 4.350 -0.000 0.000 0.194 268 E C 2.133 178.836 176.600 0.171 0.000 0.988 268 E CA 0.832 57.275 56.400 0.073 0.000 0.811 268 E CB -0.207 29.571 29.700 0.129 0.000 0.746 268 E HN 0.601 nan 8.360 nan 0.000 0.466 269 A N 1.106 124.016 122.820 0.150 0.000 1.933 269 A HA -0.236 4.084 4.320 -0.000 0.000 0.218 269 A C 1.737 179.386 177.584 0.109 0.000 1.175 269 A CA 1.799 53.932 52.037 0.160 0.000 0.628 269 A CB -0.698 18.341 19.000 0.065 0.000 0.814 269 A HN 0.334 nan 8.150 nan 0.000 0.444 270 N N 0.349 119.067 118.700 0.030 0.000 2.166 270 N HA -0.034 4.706 4.740 -0.000 0.000 0.186 270 N C 1.903 177.393 175.510 -0.035 0.000 1.019 270 N CA 1.120 54.162 53.050 -0.013 0.000 0.856 270 N CB -0.296 38.163 38.487 -0.047 0.000 0.993 270 N HN 0.488 nan 8.380 nan 0.000 0.426 271 A N 0.737 123.511 122.820 -0.077 0.000 1.908 271 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 271 A C 1.763 179.161 177.584 -0.310 0.000 1.181 271 A CA 1.240 53.157 52.037 -0.199 0.000 0.627 271 A CB -0.856 17.979 19.000 -0.275 0.000 0.818 271 A HN 0.213 nan 8.150 nan 0.000 0.445 272 F N 0.221 120.070 119.950 -0.168 0.000 2.146 272 F HA -0.106 4.421 4.527 -0.000 0.000 0.298 272 F C 2.887 178.617 175.800 -0.116 0.000 1.096 272 F CA 1.526 59.356 58.000 -0.284 0.000 1.275 272 F CB -0.583 38.281 39.000 -0.227 0.000 1.008 272 F HN 0.144 nan 8.300 nan 0.000 0.480 273 S N -0.370 115.421 115.700 0.151 0.000 2.382 273 S HA -0.141 4.329 4.470 -0.000 0.000 0.228 273 S C 2.273 177.001 174.600 0.215 0.000 1.027 273 S CA 1.217 59.526 58.200 0.181 0.000 0.991 273 S CB -0.390 62.869 63.200 0.099 0.000 0.823 273 S HN 0.109 nan 8.310 nan 0.000 0.469 274 V N 1.473 121.434 119.914 0.078 0.000 2.379 274 V HA -0.073 4.047 4.120 -0.000 0.000 0.245 274 V C 2.203 178.352 176.094 0.091 0.000 1.044 274 V CA 1.343 63.681 62.300 0.064 0.000 1.036 274 V CB -0.564 31.247 31.823 -0.020 0.000 0.664 274 V HN 0.394 nan 8.190 nan 0.000 0.453 275 L N 0.339 121.554 121.223 -0.013 0.000 2.042 275 L HA -0.235 4.104 4.340 -0.000 0.000 0.210 275 L C 2.484 179.470 176.870 0.193 0.000 1.076 275 L CA 2.192 57.020 54.840 -0.019 0.000 0.749 275 L CB -0.917 40.963 42.059 -0.299 0.000 0.893 275 L HN 0.395 nan 8.230 nan 0.000 0.432 276 Q N -1.325 118.672 119.800 0.327 0.000 2.217 276 Q HA -0.263 4.077 4.340 -0.000 0.000 0.209 276 Q C 1.782 177.848 176.000 0.110 0.000 0.988 276 Q CA 2.014 58.046 55.803 0.381 0.000 0.878 276 Q CB -0.173 28.794 28.738 0.382 0.000 0.909 276 Q HN 0.723 nan 8.270 nan 0.000 0.424 277 H N -1.482 117.678 119.070 0.150 0.000 2.595 277 H HA 0.058 4.614 4.556 -0.000 0.000 0.265 277 H C 2.127 177.510 175.328 0.091 0.000 0.953 277 H CA 0.541 56.660 56.048 0.119 0.000 1.197 277 H CB 0.721 30.543 29.762 0.099 0.000 1.438 277 H HN 0.102 nan 8.280 nan 0.000 0.531 278 V N 1.393 121.414 119.914 0.178 0.000 2.261 278 V HA -0.238 3.882 4.120 -0.000 0.000 0.246 278 V C 2.609 178.769 176.094 0.111 0.000 1.047 278 V CA 1.440 63.808 62.300 0.113 0.000 1.015 278 V CB -0.484 31.384 31.823 0.076 0.000 0.642 278 V HN 0.261 nan 8.190 nan 0.000 0.446 279 L N -0.309 120.995 121.223 0.136 0.000 2.056 279 L HA 0.232 4.572 4.340 -0.000 0.000 0.207 279 L C 1.057 177.995 176.870 0.113 0.000 1.078 279 L CA 1.201 56.119 54.840 0.129 0.000 0.749 279 L CB -0.448 41.719 42.059 0.180 0.000 0.901 279 L HN 0.595 nan 8.230 nan 0.000 0.433 280 G N -1.337 107.521 108.800 0.097 0.000 3.239 280 G HA2 0.239 4.199 3.960 -0.000 0.000 0.666 280 G HA3 0.239 4.199 3.960 -0.000 0.000 0.666 280 G C -0.475 174.441 174.900 0.026 0.000 1.313 280 G CA -0.466 44.680 45.100 0.077 0.000 1.001 280 G HN 0.272 nan 8.290 nan 0.000 0.573 281 A N 1.854 124.635 122.820 -0.064 0.000 3.763 281 A HA 0.989 5.309 4.320 -0.000 0.000 0.173 281 A C 1.675 179.251 177.584 -0.014 0.000 1.783 281 A CA 0.889 52.864 52.037 -0.104 0.000 1.617 281 A CB -0.516 18.297 19.000 -0.312 0.000 1.579 281 A HN 2.347 nan 8.150 nan 0.000 0.614 282 G N -0.431 108.345 108.800 -0.039 0.000 2.684 282 G HA2 0.469 4.429 3.960 -0.000 0.000 0.255 282 G HA3 0.469 4.429 3.960 -0.000 0.000 0.255 282 G C -2.216 172.666 174.900 -0.030 0.000 1.219 282 G CA -0.507 44.569 45.100 -0.040 0.000 0.901 282 G HN 0.556 nan 8.290 nan 0.000 0.548 283 P HA 0.337 nan 4.420 nan 0.000 0.276 283 P C -0.673 176.585 177.300 -0.070 0.000 1.252 283 P CA -0.279 62.810 63.100 -0.018 0.000 0.802 283 P CB 1.495 33.156 31.700 -0.065 0.000 1.035 284 H N -1.631 117.415 119.070 -0.039 0.000 3.017 284 H HA 0.274 4.830 4.556 -0.000 0.000 0.255 284 H C -0.065 175.249 175.328 -0.024 0.000 0.990 284 H CA 0.312 56.350 56.048 -0.017 0.000 1.205 284 H CB 0.627 30.386 29.762 -0.006 0.000 1.460 284 H HN -0.004 nan 8.280 nan 0.000 0.478 285 V N 1.494 121.453 119.914 0.074 0.000 2.487 285 V HA 0.159 4.279 4.120 -0.000 0.000 0.298 285 V C -0.044 176.044 176.094 -0.009 0.000 1.028 285 V CA -1.386 60.929 62.300 0.025 0.000 0.860 285 V CB 2.141 33.972 31.823 0.012 0.000 0.991 285 V HN 0.127 nan 8.190 nan 0.000 0.427 286 K N 4.103 124.497 120.400 -0.010 0.000 2.402 286 K HA 0.148 4.468 4.320 -0.000 0.000 0.279 286 K C 0.704 177.290 176.600 -0.023 0.000 1.082 286 K CA 0.390 56.666 56.287 -0.018 0.000 1.080 286 K CB -0.158 32.335 32.500 -0.012 0.000 0.899 286 K HN 0.659 nan 8.250 nan 0.000 0.469 287 R N 0.906 121.385 120.500 -0.035 0.000 3.936 287 R HA -0.145 4.195 4.340 -0.000 0.000 0.366 287 R C 0.477 176.748 176.300 -0.049 0.000 1.158 287 R CA 0.543 56.620 56.100 -0.039 0.000 0.969 287 R CB -2.036 28.250 30.300 -0.023 0.000 1.504 287 R HN 0.847 nan 8.270 nan 0.000 0.538 288 G N 0.073 108.836 108.800 -0.062 0.000 2.569 288 G HA2 0.204 4.164 3.960 -0.000 0.000 0.249 288 G HA3 0.204 4.164 3.960 -0.000 0.000 0.249 288 G C 0.876 175.705 174.900 -0.117 0.000 1.216 288 G CA 0.124 45.182 45.100 -0.070 0.000 0.845 288 G HN 0.259 nan 8.290 nan 0.000 0.568 289 S N 0.056 115.705 115.700 -0.085 0.000 2.561 289 S HA -0.086 4.384 4.470 -0.000 0.000 0.225 289 S C 0.890 175.385 174.600 -0.175 0.000 0.977 289 S CA 0.547 58.701 58.200 -0.076 0.000 0.926 289 S CB -0.443 62.762 63.200 0.009 0.000 0.769 289 S HN 0.733 nan 8.310 nan 0.000 0.533 290 N N 1.032 119.604 118.700 -0.213 0.000 2.671 290 N HA -0.175 4.565 4.740 -0.000 0.000 0.261 290 N C 0.753 176.225 175.510 -0.063 0.000 1.053 290 N CA 0.675 53.602 53.050 -0.205 0.000 0.732 290 N CB -1.515 36.699 38.487 -0.456 0.000 0.887 290 N HN 0.619 nan 8.380 nan 0.000 0.546 291 A N 0.822 123.623 122.820 -0.032 0.000 1.902 291 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 291 A C 2.125 179.718 177.584 0.015 0.000 1.181 291 A CA 2.161 54.202 52.037 0.006 0.000 0.623 291 A CB -0.355 18.643 19.000 -0.003 0.000 0.818 291 A HN 0.685 nan 8.150 nan 0.000 0.443 292 T N -3.284 111.264 114.554 -0.011 0.000 3.163 292 T HA 0.265 4.615 4.350 -0.000 0.000 0.252 292 T C 0.528 175.240 174.700 0.019 0.000 1.056 292 T CA 0.555 62.652 62.100 -0.005 0.000 0.947 292 T CB -0.274 68.569 68.868 -0.041 0.000 1.016 292 T HN 0.179 nan 8.240 nan 0.000 0.554 293 S N 1.778 117.502 115.700 0.041 0.000 2.399 293 S HA 0.370 4.840 4.470 -0.000 0.000 0.301 293 S C 1.500 176.177 174.600 0.128 0.000 1.093 293 S CA -0.194 58.059 58.200 0.089 0.000 1.077 293 S CB 0.612 63.869 63.200 0.095 0.000 0.980 293 S HN 0.568 nan 8.310 nan 0.000 0.494 294 S N 5.676 121.437 115.700 0.101 0.000 2.406 294 S HA -0.009 4.461 4.470 -0.000 0.000 0.228 294 S C 1.724 176.371 174.600 0.078 0.000 1.020 294 S CA 0.483 58.733 58.200 0.083 0.000 0.965 294 S CB -0.448 62.789 63.200 0.062 0.000 0.798 294 S HN 0.736 nan 8.310 nan 0.000 0.488 295 L N -0.667 120.608 121.223 0.087 0.000 2.056 295 L HA -0.016 4.324 4.340 -0.000 0.000 0.207 295 L C 2.614 179.533 176.870 0.082 0.000 1.078 295 L CA 1.771 56.633 54.840 0.037 0.000 0.749 295 L CB -0.595 41.479 42.059 0.025 0.000 0.901 295 L HN 0.344 nan 8.230 nan 0.000 0.433 296 Y N 0.423 120.775 120.300 0.087 0.000 2.200 296 Y HA -0.245 4.305 4.550 -0.000 0.000 0.290 296 Y C 2.801 178.818 175.900 0.195 0.000 1.137 296 Y CA 1.392 59.615 58.100 0.206 0.000 1.163 296 Y CB 0.055 38.625 38.460 0.183 0.000 0.988 296 Y HN 0.162 nan 8.280 nan 0.000 0.518 297 Q N -0.242 119.744 119.800 0.310 0.000 2.167 297 Q HA -0.123 4.217 4.340 -0.000 0.000 0.202 297 Q C 2.476 178.517 176.000 0.069 0.000 0.970 297 Q CA 1.310 57.229 55.803 0.194 0.000 0.855 297 Q CB -0.786 28.038 28.738 0.143 0.000 0.911 297 Q HN 0.588 nan 8.270 nan 0.000 0.438 298 A N 0.120 122.947 122.820 0.011 0.000 1.898 298 A HA -0.084 4.236 4.320 -0.000 0.000 0.216 298 A C 2.421 179.906 177.584 -0.164 0.000 1.181 298 A CA 1.303 53.303 52.037 -0.062 0.000 0.620 298 A CB -0.498 18.462 19.000 -0.067 0.000 0.819 298 A HN 0.199 nan 8.150 nan 0.000 0.442 299 V N -0.098 119.646 119.914 -0.283 0.000 2.358 299 V HA -0.198 3.922 4.120 -0.000 0.000 0.246 299 V C 3.051 178.776 176.094 -0.615 0.000 1.047 299 V CA 1.733 63.683 62.300 -0.584 0.000 1.035 299 V CB -1.208 30.023 31.823 -0.987 0.000 0.658 299 V HN 0.591 nan 8.190 nan 0.000 0.452 300 A N -0.301 122.322 122.820 -0.329 0.000 1.986 300 A HA -0.319 4.001 4.320 -0.000 0.000 0.220 300 A C 2.308 179.902 177.584 0.017 0.000 1.171 300 A CA 2.360 54.416 52.037 0.031 0.000 0.640 300 A CB -0.540 18.643 19.000 0.306 0.000 0.811 300 A HN 0.540 nan 8.150 nan 0.000 0.451 301 K N -1.190 119.195 120.400 -0.024 0.000 2.032 301 K HA -0.139 4.181 4.320 -0.000 0.000 0.209 301 K C 1.499 178.097 176.600 -0.003 0.000 1.048 301 K CA 1.526 57.825 56.287 0.020 0.000 0.927 301 K CB -0.338 32.157 32.500 -0.008 0.000 0.712 301 K HN 0.440 nan 8.250 nan 0.000 0.441 302 G N -0.399 108.297 108.800 -0.173 0.000 3.575 302 G HA2 0.269 4.229 3.960 -0.000 0.000 0.273 302 G HA3 0.269 4.229 3.960 -0.000 0.000 0.273 302 G C -0.907 173.692 174.900 -0.502 0.000 1.053 302 G CA -0.306 44.639 45.100 -0.259 0.000 0.803 302 G HN 0.067 nan 8.290 nan 0.000 0.528 303 V N 1.376 120.902 119.914 -0.646 0.000 2.569 303 V HA 0.362 4.482 4.120 -0.000 0.000 0.301 303 V C -0.837 174.985 176.094 -0.454 0.000 1.044 303 V CA -0.926 61.025 62.300 -0.580 0.000 0.874 303 V CB 1.726 33.264 31.823 -0.476 0.000 1.002 303 V HN 0.369 nan 8.190 nan 0.000 0.424 304 H N 4.520 123.606 119.070 0.027 0.000 2.528 304 H HA 0.419 4.975 4.556 -0.000 0.000 0.256 304 H C -0.095 175.276 175.328 0.072 0.000 1.204 304 H CA -0.251 55.835 56.048 0.062 0.000 0.955 304 H CB 0.652 30.433 29.762 0.031 0.000 1.817 304 H HN 0.730 nan 8.280 nan 0.000 0.579 305 Q N -0.001 119.896 119.800 0.163 0.000 2.511 305 Q HA 0.404 4.744 4.340 -0.000 0.000 0.289 305 Q C -3.049 173.045 176.000 0.157 0.000 1.021 305 Q CA -2.218 53.660 55.803 0.125 0.000 0.785 305 Q CB 1.776 30.558 28.738 0.073 0.000 1.472 305 Q HN -0.061 nan 8.270 nan 0.000 0.411 306 P HA 0.049 nan 4.420 nan 0.000 0.260 306 P C -1.010 176.339 177.300 0.082 0.000 1.185 306 P CA 0.642 63.755 63.100 0.020 0.000 0.763 306 P CB -0.279 31.429 31.700 0.013 0.000 0.776 307 F N 0.393 120.314 119.950 -0.048 0.000 2.664 307 F HA 0.805 5.332 4.527 -0.000 0.000 0.317 307 F C -1.319 174.453 175.800 -0.048 0.000 1.108 307 F CA -1.257 56.690 58.000 -0.089 0.000 0.957 307 F CB 1.591 40.489 39.000 -0.170 0.000 1.365 307 F HN 0.066 nan 8.300 nan 0.000 0.475 308 D N 0.508 121.008 120.400 0.166 0.000 2.732 308 D HA 0.685 5.325 4.640 -0.000 0.000 0.229 308 D C -1.628 174.867 176.300 0.325 0.000 1.152 308 D CA -0.292 53.833 54.000 0.209 0.000 0.854 308 D CB 2.767 43.659 40.800 0.153 0.000 1.590 308 D HN 0.696 nan 8.370 nan 0.000 0.468 309 V N 0.097 120.224 119.914 0.355 0.000 2.686 309 V HA 0.794 4.914 4.120 -0.000 0.000 0.306 309 V C -0.310 175.957 176.094 0.289 0.000 1.065 309 V CA -0.789 61.681 62.300 0.282 0.000 0.894 309 V CB 1.541 33.457 31.823 0.154 0.000 1.004 309 V HN 0.446 nan 8.190 nan 0.000 0.424 310 S N 2.061 117.914 115.700 0.255 0.000 2.548 310 S HA 0.845 5.315 4.470 -0.000 0.000 0.286 310 S C 0.055 174.774 174.600 0.198 0.000 1.098 310 S CA 0.052 58.367 58.200 0.193 0.000 0.930 310 S CB 1.798 65.083 63.200 0.141 0.000 1.070 310 S HN 1.709 nan 8.310 nan 0.000 0.480 311 A N 2.970 125.859 122.820 0.115 0.000 2.511 311 A HA 0.514 4.834 4.320 -0.000 0.000 0.242 311 A C -0.637 176.963 177.584 0.028 0.000 1.069 311 A CA 0.062 52.116 52.037 0.028 0.000 0.763 311 A CB -0.311 18.709 19.000 0.035 0.000 1.001 311 A HN 0.786 nan 8.150 nan 0.000 0.498 312 F N 2.846 122.628 119.950 -0.279 0.000 2.482 312 F HA 0.536 5.063 4.527 -0.000 0.000 0.331 312 F C -0.041 175.595 175.800 -0.273 0.000 1.115 312 F CA -0.599 57.286 58.000 -0.192 0.000 0.955 312 F CB 1.388 40.329 39.000 -0.098 0.000 1.136 312 F HN 0.631 nan 8.300 nan 0.000 0.452 313 N N 4.825 123.142 118.700 -0.639 0.000 2.594 313 N HA 0.511 5.251 4.740 -0.000 0.000 0.280 313 N C -2.093 173.117 175.510 -0.500 0.000 1.156 313 N CA -0.218 52.661 53.050 -0.285 0.000 0.831 313 N CB 1.458 39.992 38.487 0.078 0.000 1.379 313 N HN 0.761 nan 8.380 nan 0.000 0.536 314 A N 2.379 124.940 122.820 -0.432 0.000 2.310 314 A HA 0.508 4.828 4.320 -0.000 0.000 0.304 314 A C -0.699 176.596 177.584 -0.483 0.000 1.231 314 A CA -0.506 51.259 52.037 -0.454 0.000 0.799 314 A CB 1.308 20.186 19.000 -0.203 0.000 1.162 314 A HN 0.387 nan 8.150 nan 0.000 0.486 315 S N 1.586 116.968 115.700 -0.530 0.000 2.451 315 S HA 0.786 5.256 4.470 -0.000 0.000 0.301 315 S C -1.035 173.245 174.600 -0.532 0.000 1.116 315 S CA -0.210 57.746 58.200 -0.407 0.000 1.093 315 S CB 0.241 63.338 63.200 -0.172 0.000 1.017 315 S HN 0.488 nan 8.310 nan 0.000 0.482 316 Y N 0.813 121.141 120.300 0.046 0.000 2.686 316 Y HA 0.337 4.887 4.550 -0.000 0.000 0.330 316 Y C 1.894 177.808 175.900 0.024 0.000 1.082 316 Y CA -0.641 57.476 58.100 0.028 0.000 1.158 316 Y CB 0.492 38.958 38.460 0.011 0.000 1.333 316 Y HN 0.665 nan 8.280 nan 0.000 0.519 317 S N -0.223 115.602 115.700 0.209 0.000 2.383 317 S HA -0.192 4.278 4.470 -0.000 0.000 0.229 317 S C 0.647 175.311 174.600 0.105 0.000 1.030 317 S CA 2.012 60.287 58.200 0.125 0.000 1.002 317 S CB -0.347 62.919 63.200 0.111 0.000 0.829 317 S HN 0.826 nan 8.310 nan 0.000 0.467 318 D N -0.870 119.598 120.400 0.113 0.000 2.539 318 D HA 0.417 5.057 4.640 -0.000 0.000 0.232 318 D C 0.151 176.529 176.300 0.129 0.000 1.256 318 D CA -0.097 53.961 54.000 0.097 0.000 0.810 318 D CB 0.257 41.099 40.800 0.069 0.000 1.090 318 D HN 0.333 nan 8.370 nan 0.000 0.519 319 S N -1.689 114.120 115.700 0.181 0.000 2.661 319 S HA 0.733 5.203 4.470 -0.000 0.000 0.268 319 S C -1.307 173.452 174.600 0.266 0.000 1.162 319 S CA -0.183 58.166 58.200 0.247 0.000 0.817 319 S CB 1.325 64.758 63.200 0.388 0.000 1.141 319 S HN 0.435 nan 8.310 nan 0.000 0.477 320 G N 0.421 109.363 108.800 0.236 0.000 2.692 320 G HA2 0.666 4.626 3.960 -0.000 0.000 0.291 320 G HA3 0.666 4.626 3.960 -0.000 0.000 0.291 320 G C -2.263 172.744 174.900 0.177 0.000 1.423 320 G CA -0.599 44.590 45.100 0.149 0.000 0.843 320 G HN 0.727 nan 8.290 nan 0.000 0.486 321 L N 0.621 121.949 121.223 0.175 0.000 2.406 321 L HA 0.570 4.910 4.340 -0.000 0.000 0.272 321 L C -1.388 175.589 176.870 0.180 0.000 0.980 321 L CA -0.634 54.324 54.840 0.197 0.000 0.831 321 L CB 2.154 44.425 42.059 0.352 0.000 1.253 321 L HN 0.505 nan 8.230 nan 0.000 0.406 322 F N 2.060 121.990 119.950 -0.033 0.000 2.495 322 F HA 0.876 5.403 4.527 -0.000 0.000 0.327 322 F C 0.360 176.212 175.800 0.086 0.000 1.103 322 F CA 0.177 58.188 58.000 0.018 0.000 0.949 322 F CB 2.011 40.942 39.000 -0.114 0.000 1.142 322 F HN 0.502 nan 8.300 nan 0.000 0.457 323 G N 3.731 112.033 108.800 -0.830 0.000 2.825 323 G HA2 0.325 4.285 3.960 -0.000 0.000 0.100 323 G HA3 0.325 4.285 3.960 -0.000 0.000 0.100 323 G C -1.578 172.906 174.900 -0.693 0.000 1.195 323 G CA 0.008 44.510 45.100 -0.997 0.000 1.317 323 G HN 0.898 nan 8.290 nan 0.000 0.632 324 F N -1.326 118.434 119.950 -0.318 0.000 2.626 324 F HA 0.865 5.392 4.527 -0.000 0.000 0.311 324 F C -1.692 174.106 175.800 -0.005 0.000 1.088 324 F CA -1.953 55.973 58.000 -0.124 0.000 0.949 324 F CB 1.782 40.726 39.000 -0.093 0.000 1.322 324 F HN 0.537 nan 8.300 nan 0.000 0.461 325 Y N 1.537 121.963 120.300 0.211 0.000 2.350 325 Y HA 0.641 5.191 4.550 -0.000 0.000 0.338 325 Y C -0.565 175.445 175.900 0.183 0.000 0.961 325 Y CA -0.761 57.407 58.100 0.114 0.000 1.100 325 Y CB 1.913 40.418 38.460 0.076 0.000 1.179 325 Y HN 0.925 nan 8.280 nan 0.000 0.454 326 T N 4.782 119.449 114.554 0.189 0.000 2.829 326 T HA 0.763 5.113 4.350 -0.000 0.000 0.280 326 T C -0.713 174.019 174.700 0.055 0.000 0.999 326 T CA -0.672 61.524 62.100 0.159 0.000 0.983 326 T CB 1.235 70.151 68.868 0.082 0.000 0.968 326 T HN 0.478 nan 8.240 nan 0.000 0.446 327 I N 2.768 123.375 120.570 0.061 0.000 2.433 327 I HA 0.664 4.834 4.170 -0.000 0.000 0.292 327 I C 0.184 176.297 176.117 -0.006 0.000 1.001 327 I CA -0.632 60.593 61.300 -0.126 0.000 1.119 327 I CB 2.057 39.895 38.000 -0.269 0.000 1.289 327 I HN 1.005 nan 8.210 nan 0.000 0.438 328 S N 3.812 119.495 115.700 -0.029 0.000 2.615 328 S HA 0.464 4.934 4.470 -0.000 0.000 0.269 328 S C -1.200 173.404 174.600 0.007 0.000 1.161 328 S CA -1.184 57.029 58.200 0.022 0.000 0.817 328 S CB 1.615 64.811 63.200 -0.005 0.000 1.131 328 S HN 0.442 nan 8.310 nan 0.000 0.467 329 Q N 0.648 120.457 119.800 0.016 0.000 2.395 329 Q HA 0.344 4.684 4.340 -0.000 0.000 0.271 329 Q C 1.695 177.694 176.000 -0.001 0.000 1.026 329 Q CA 0.546 56.353 55.803 0.008 0.000 0.900 329 Q CB 0.507 29.247 28.738 0.004 0.000 1.266 329 Q HN 0.976 nan 8.270 nan 0.000 0.430 330 A N 2.729 125.556 122.820 0.011 0.000 1.915 330 A HA -0.287 4.033 4.320 -0.000 0.000 0.220 330 A C 1.962 179.569 177.584 0.039 0.000 1.198 330 A CA 2.614 54.669 52.037 0.030 0.000 0.647 330 A CB -0.770 18.258 19.000 0.047 0.000 0.825 330 A HN 0.824 nan 8.150 nan 0.000 0.456 331 A N -1.786 121.014 122.820 -0.033 0.000 2.014 331 A HA 0.084 4.404 4.320 -0.000 0.000 0.218 331 A C 2.280 179.775 177.584 -0.149 0.000 1.163 331 A CA 1.742 53.660 52.037 -0.197 0.000 0.652 331 A CB -0.459 18.385 19.000 -0.260 0.000 0.808 331 A HN 0.429 nan 8.150 nan 0.000 0.449 332 S N -0.856 114.794 115.700 -0.083 0.000 2.528 332 S HA 0.277 4.747 4.470 -0.000 0.000 0.219 332 S C 2.063 176.619 174.600 -0.074 0.000 0.985 332 S CA 0.529 58.677 58.200 -0.087 0.000 0.914 332 S CB -0.106 63.047 63.200 -0.079 0.000 0.776 332 S HN 0.724 nan 8.310 nan 0.000 0.526 333 A N 1.641 124.438 122.820 -0.039 0.000 1.883 333 A HA -0.024 4.296 4.320 -0.000 0.000 0.217 333 A C 2.264 179.828 177.584 -0.034 0.000 1.186 333 A CA 1.879 53.894 52.037 -0.036 0.000 0.624 333 A CB -1.430 17.555 19.000 -0.025 0.000 0.822 333 A HN 0.514 nan 8.150 nan 0.000 0.444 334 G N -0.229 108.563 108.800 -0.013 0.000 2.440 334 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.218 334 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.218 334 G C 1.156 176.043 174.900 -0.021 0.000 1.154 334 G CA 1.255 46.354 45.100 -0.001 0.000 0.767 334 G HN 0.496 nan 8.290 nan 0.000 0.552 335 D N 0.275 120.640 120.400 -0.057 0.000 2.117 335 D HA -0.081 4.559 4.640 -0.000 0.000 0.198 335 D C 2.806 179.021 176.300 -0.142 0.000 0.982 335 D CA 0.832 54.775 54.000 -0.096 0.000 0.828 335 D CB -0.500 40.223 40.800 -0.128 0.000 0.967 335 D HN 0.220 nan 8.370 nan 0.000 0.464 336 V N 1.360 121.174 119.914 -0.166 0.000 2.343 336 V HA -0.213 3.907 4.120 -0.000 0.000 0.247 336 V C 2.541 178.545 176.094 -0.151 0.000 1.051 336 V CA 1.125 63.289 62.300 -0.227 0.000 1.036 336 V CB -0.410 31.279 31.823 -0.224 0.000 0.654 336 V HN 0.139 nan 8.190 nan 0.000 0.451 337 I N -0.421 120.128 120.570 -0.034 0.000 2.226 337 I HA -0.241 3.929 4.170 -0.000 0.000 0.245 337 I C 2.499 178.680 176.117 0.108 0.000 1.100 337 I CA 1.672 63.033 61.300 0.102 0.000 1.374 337 I CB -0.366 37.716 38.000 0.136 0.000 1.057 337 I HN 0.233 nan 8.210 nan 0.000 0.413 338 K N 0.673 121.107 120.400 0.056 0.000 2.062 338 K HA -0.014 4.306 4.320 -0.000 0.000 0.205 338 K C 2.315 178.922 176.600 0.011 0.000 1.051 338 K CA 1.208 57.547 56.287 0.088 0.000 0.941 338 K CB -0.249 32.285 32.500 0.056 0.000 0.719 338 K HN 0.270 nan 8.250 nan 0.000 0.440 339 A N 1.710 124.477 122.820 -0.088 0.000 1.883 339 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 339 A C 2.385 179.862 177.584 -0.179 0.000 1.186 339 A CA 2.063 54.014 52.037 -0.143 0.000 0.624 339 A CB -0.813 18.057 19.000 -0.217 0.000 0.822 339 A HN 0.337 nan 8.150 nan 0.000 0.444 340 A N -1.633 121.008 122.820 -0.297 0.000 1.877 340 A HA -0.113 4.207 4.320 -0.000 0.000 0.216 340 A C 2.198 179.537 177.584 -0.409 0.000 1.186 340 A CA 1.756 53.460 52.037 -0.556 0.000 0.620 340 A CB -0.841 17.476 19.000 -1.138 0.000 0.822 340 A HN 0.689 nan 8.150 nan 0.000 0.443 341 Y N 1.307 121.435 120.300 -0.287 0.000 2.242 341 Y HA -0.157 4.393 4.550 -0.000 0.000 0.291 341 Y C 2.017 177.997 175.900 0.132 0.000 1.137 341 Y CA 1.539 59.748 58.100 0.183 0.000 1.181 341 Y CB -0.913 37.765 38.460 0.364 0.000 0.989 341 Y HN 0.479 nan 8.280 nan 0.000 0.527 342 N N -0.538 118.173 118.700 0.019 0.000 2.223 342 N HA -0.233 4.507 4.740 -0.000 0.000 0.185 342 N C 1.746 177.235 175.510 -0.035 0.000 1.016 342 N CA 0.974 53.980 53.050 -0.072 0.000 0.863 342 N CB -0.168 38.283 38.487 -0.060 0.000 0.983 342 N HN 0.271 nan 8.380 nan 0.000 0.429 343 Q N 1.110 120.896 119.800 -0.023 0.000 2.119 343 Q HA -0.053 4.287 4.340 -0.000 0.000 0.201 343 Q C 1.815 177.846 176.000 0.050 0.000 0.972 343 Q CA 1.234 57.032 55.803 -0.007 0.000 0.847 343 Q CB -0.182 28.532 28.738 -0.039 0.000 0.903 343 Q HN 0.169 nan 8.270 nan 0.000 0.433 344 V N 0.736 120.723 119.914 0.122 0.000 2.295 344 V HA -0.253 3.867 4.120 -0.000 0.000 0.246 344 V C 2.186 178.391 176.094 0.185 0.000 1.049 344 V CA 2.152 64.591 62.300 0.231 0.000 1.024 344 V CB -0.621 31.485 31.823 0.471 0.000 0.648 344 V HN 0.331 nan 8.190 nan 0.000 0.447 345 K N -0.272 120.188 120.400 0.101 0.000 2.074 345 K HA -0.224 4.095 4.320 -0.000 0.000 0.209 345 K C 2.348 178.953 176.600 0.010 0.000 1.048 345 K CA 1.977 58.264 56.287 0.000 0.000 0.926 345 K CB -0.480 31.931 32.500 -0.148 0.000 0.713 345 K HN 0.421 nan 8.250 nan 0.000 0.444 346 T N 0.653 115.213 114.554 0.009 0.000 2.915 346 T HA -0.039 4.311 4.350 -0.000 0.000 0.269 346 T C 1.672 176.383 174.700 0.018 0.000 1.071 346 T CA 0.838 62.942 62.100 0.006 0.000 1.132 346 T CB -0.043 68.823 68.868 -0.002 0.000 0.878 346 T HN 0.098 nan 8.240 nan 0.000 0.479 347 I N 0.790 121.383 120.570 0.038 0.000 2.333 347 I HA 0.060 4.230 4.170 -0.000 0.000 0.246 347 I C 2.735 178.869 176.117 0.029 0.000 1.106 347 I CA 0.848 62.168 61.300 0.034 0.000 1.411 347 I CB -0.337 37.691 38.000 0.047 0.000 1.082 347 I HN 0.154 nan 8.210 nan 0.000 0.420 348 A N 0.056 122.908 122.820 0.052 0.000 1.940 348 A HA -0.275 4.045 4.320 -0.000 0.000 0.219 348 A C 2.210 179.805 177.584 0.019 0.000 1.176 348 A CA 1.662 53.726 52.037 0.045 0.000 0.631 348 A CB -0.613 18.434 19.000 0.079 0.000 0.814 348 A HN 0.487 nan 8.150 nan 0.000 0.446 349 Q N -2.055 117.752 119.800 0.011 0.000 2.488 349 Q HA 0.223 4.562 4.340 -0.000 0.000 0.211 349 Q C 1.175 177.175 176.000 -0.001 0.000 0.967 349 Q CA 0.575 56.379 55.803 0.001 0.000 0.926 349 Q CB 0.052 28.787 28.738 -0.005 0.000 0.992 349 Q HN 0.911 nan 8.270 nan 0.000 0.506 350 G N 0.691 109.492 108.800 0.000 0.000 2.184 350 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.206 350 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.206 350 G C -0.400 174.498 174.900 -0.003 0.000 0.995 350 G CA -0.335 44.762 45.100 -0.004 0.000 0.651 350 G HN 0.346 nan 8.290 nan 0.000 0.511 351 N N 0.506 119.206 118.700 0.000 0.000 2.968 351 N HA 0.537 5.277 4.740 -0.000 0.000 0.271 351 N C -0.590 174.922 175.510 0.003 0.000 1.174 351 N CA 0.086 53.137 53.050 0.001 0.000 1.096 351 N CB 0.937 39.425 38.487 0.002 0.000 1.403 351 N HN 0.404 nan 8.380 nan 0.000 0.522 352 L N 1.122 122.345 121.223 -0.000 0.000 2.528 352 L HA 0.405 4.745 4.340 -0.000 0.000 0.267 352 L C -0.353 176.515 176.870 -0.003 0.000 0.961 352 L CA -0.594 54.246 54.840 -0.000 0.000 0.866 352 L CB 1.486 43.542 42.059 -0.005 0.000 1.248 352 L HN 0.291 nan 8.230 nan 0.000 0.404 353 S N 3.027 118.726 115.700 -0.001 0.000 2.565 353 S HA 0.240 4.710 4.470 -0.000 0.000 0.274 353 S C 0.966 175.563 174.600 -0.005 0.000 1.309 353 S CA -0.333 57.865 58.200 -0.003 0.000 1.043 353 S CB 0.968 64.168 63.200 -0.000 0.000 0.939 353 S HN 0.798 nan 8.310 nan 0.000 0.504 354 N N 2.911 121.606 118.700 -0.008 0.000 2.060 354 N HA -0.085 4.655 4.740 -0.000 0.000 0.195 354 N C -1.078 174.427 175.510 -0.008 0.000 1.028 354 N CA 1.802 54.846 53.050 -0.010 0.000 0.861 354 N CB -1.432 37.049 38.487 -0.011 0.000 1.029 354 N HN 0.542 nan 8.380 nan 0.000 0.428 355 P HA -0.055 nan 4.420 nan 0.000 0.218 355 P C 0.690 177.988 177.300 -0.003 0.000 1.148 355 P CA 1.128 64.225 63.100 -0.006 0.000 0.822 355 P CB -0.008 31.689 31.700 -0.005 0.000 0.784 356 D N -1.165 119.235 120.400 0.000 0.000 2.123 356 D HA -0.081 4.559 4.640 -0.000 0.000 0.200 356 D C 2.024 178.329 176.300 0.009 0.000 0.976 356 D CA 0.899 54.903 54.000 0.007 0.000 0.831 356 D CB -0.760 40.047 40.800 0.012 0.000 0.974 356 D HN -0.039 nan 8.370 nan 0.000 0.469 357 V N 1.396 121.310 119.914 0.002 0.000 2.332 357 V HA -0.230 3.890 4.120 -0.000 0.000 0.248 357 V C 2.476 178.566 176.094 -0.006 0.000 1.055 357 V CA 1.412 63.710 62.300 -0.004 0.000 1.038 357 V CB -0.432 31.381 31.823 -0.016 0.000 0.651 357 V HN 0.158 nan 8.190 nan 0.000 0.450 358 Q N -0.096 119.699 119.800 -0.009 0.000 2.079 358 Q HA -0.091 4.249 4.340 -0.000 0.000 0.200 358 Q C 2.469 178.463 176.000 -0.011 0.000 0.974 358 Q CA 1.904 57.700 55.803 -0.012 0.000 0.840 358 Q CB -0.697 28.033 28.738 -0.012 0.000 0.898 358 Q HN 0.653 nan 8.270 nan 0.000 0.430 359 A N 1.015 123.831 122.820 -0.007 0.000 1.902 359 A HA -0.069 4.251 4.320 -0.000 0.000 0.217 359 A C 2.324 179.910 177.584 0.002 0.000 1.181 359 A CA 1.868 53.899 52.037 -0.009 0.000 0.623 359 A CB -0.659 18.333 19.000 -0.013 0.000 0.818 359 A HN 0.355 nan 8.150 nan 0.000 0.443 360 A N -0.403 122.432 122.820 0.024 0.000 1.933 360 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 360 A C 2.091 179.665 177.584 -0.016 0.000 1.175 360 A CA 2.080 54.152 52.037 0.058 0.000 0.628 360 A CB -0.401 18.652 19.000 0.089 0.000 0.814 360 A HN 0.485 nan 8.150 nan 0.000 0.444 361 K N -0.002 120.381 120.400 -0.027 0.000 2.097 361 K HA -0.099 4.221 4.320 -0.000 0.000 0.206 361 K C 1.819 178.386 176.600 -0.055 0.000 1.049 361 K CA 1.717 57.973 56.287 -0.051 0.000 0.933 361 K CB -0.257 32.222 32.500 -0.036 0.000 0.717 361 K HN 0.685 nan 8.250 nan 0.000 0.442 362 N N -0.063 118.617 118.700 -0.033 0.000 2.142 362 N HA -0.133 4.607 4.740 -0.000 0.000 0.186 362 N C 1.447 176.949 175.510 -0.012 0.000 1.023 362 N CA 0.974 54.013 53.050 -0.019 0.000 0.852 362 N CB 0.050 38.530 38.487 -0.011 0.000 0.998 362 N HN 0.108 nan 8.380 nan 0.000 0.424 363 K N 0.673 121.065 120.400 -0.012 0.000 2.057 363 K HA -0.105 4.215 4.320 -0.000 0.000 0.206 363 K C 1.981 178.507 176.600 -0.124 0.000 1.050 363 K CA 0.750 57.065 56.287 0.048 0.000 0.935 363 K CB -0.154 32.467 32.500 0.202 0.000 0.715 363 K HN 0.067 nan 8.250 nan 0.000 0.439 364 L N 1.909 122.904 121.223 -0.380 0.000 2.027 364 L HA -0.160 4.180 4.340 -0.000 0.000 0.206 364 L C 1.899 178.704 176.870 -0.108 0.000 1.074 364 L CA 1.802 56.375 54.840 -0.444 0.000 0.745 364 L CB -0.180 41.615 42.059 -0.441 0.000 0.898 364 L HN 0.002 nan 8.230 nan 0.000 0.433 365 K N -0.690 119.677 120.400 -0.054 0.000 2.026 365 K HA -0.127 4.193 4.320 -0.000 0.000 0.208 365 K C 2.051 178.694 176.600 0.072 0.000 1.048 365 K CA 1.427 57.732 56.287 0.030 0.000 0.929 365 K CB -0.390 32.116 32.500 0.011 0.000 0.713 365 K HN 0.472 nan 8.250 nan 0.000 0.439 366 A N 1.118 123.962 122.820 0.041 0.000 1.930 366 A HA -0.062 4.258 4.320 -0.000 0.000 0.217 366 A C 2.400 180.016 177.584 0.053 0.000 1.175 366 A CA 1.811 53.877 52.037 0.048 0.000 0.627 366 A CB -1.102 17.929 19.000 0.052 0.000 0.815 366 A HN 0.431 nan 8.150 nan 0.000 0.443 367 G N -1.385 107.453 108.800 0.062 0.000 2.446 367 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.217 367 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.217 367 G C 1.571 176.523 174.900 0.086 0.000 1.168 367 G CA 1.385 46.529 45.100 0.074 0.000 0.771 367 G HN 0.568 nan 8.290 nan 0.000 0.551 368 Y N 1.153 121.454 120.300 0.001 0.000 2.181 368 Y HA 0.026 4.576 4.550 -0.000 0.000 0.288 368 Y C 2.580 178.498 175.900 0.030 0.000 1.146 368 Y CA 1.200 59.307 58.100 0.013 0.000 1.164 368 Y CB -0.241 38.217 38.460 -0.004 0.000 0.982 368 Y HN 0.114 nan 8.280 nan 0.000 0.515 369 L N -0.839 120.342 121.223 -0.069 0.000 2.093 369 L HA -0.237 4.103 4.340 -0.000 0.000 0.208 369 L C 2.415 179.216 176.870 -0.116 0.000 1.085 369 L CA 1.437 56.206 54.840 -0.119 0.000 0.755 369 L CB -0.469 41.589 42.059 -0.001 0.000 0.904 369 L HN 0.296 nan 8.230 nan 0.000 0.435 370 M N -1.263 118.298 119.600 -0.065 0.000 2.254 370 M HA -0.170 4.310 4.480 -0.000 0.000 0.265 370 M C 2.525 178.789 176.300 -0.060 0.000 1.066 370 M CA 1.159 56.432 55.300 -0.045 0.000 1.123 370 M CB -0.257 32.334 32.600 -0.016 0.000 1.388 370 M HN 0.088 nan 8.290 nan 0.000 0.425 371 S N 0.217 115.862 115.700 -0.091 0.000 2.402 371 S HA -0.105 4.365 4.470 -0.000 0.000 0.233 371 S C 1.494 176.042 174.600 -0.087 0.000 1.030 371 S CA 1.645 59.794 58.200 -0.085 0.000 1.003 371 S CB -0.216 62.927 63.200 -0.094 0.000 0.813 371 S HN 0.469 nan 8.310 nan 0.000 0.477 372 V N -1.988 117.843 119.914 -0.138 0.000 3.483 372 V HA 0.400 4.520 4.120 -0.000 0.000 0.301 372 V C 1.413 177.531 176.094 0.040 0.000 1.389 372 V CA -0.035 62.257 62.300 -0.013 0.000 1.101 372 V CB -0.205 31.605 31.823 -0.022 0.000 0.971 372 V HN 0.222 nan 8.190 nan 0.000 0.434 373 E N 2.236 122.427 120.200 -0.015 0.000 2.085 373 E HA -0.092 4.258 4.350 -0.000 0.000 0.194 373 E C 1.376 177.969 176.600 -0.011 0.000 0.994 373 E CA 1.528 57.914 56.400 -0.023 0.000 0.801 373 E CB 0.067 29.752 29.700 -0.024 0.000 0.743 373 E HN 0.864 nan 8.360 nan 0.000 0.453 374 S N -0.934 114.778 115.700 0.019 0.000 2.672 374 S HA 0.207 4.677 4.470 -0.000 0.000 0.276 374 S C 1.052 175.699 174.600 0.078 0.000 1.207 374 S CA -0.544 57.675 58.200 0.031 0.000 1.002 374 S CB 1.916 65.135 63.200 0.032 0.000 0.998 374 S HN -0.042 nan 8.310 nan 0.000 0.542 375 S N 0.651 116.394 115.700 0.071 0.000 2.374 375 S HA -0.190 4.280 4.470 -0.000 0.000 0.227 375 S C 1.725 176.419 174.600 0.155 0.000 1.037 375 S CA 1.648 59.921 58.200 0.122 0.000 1.024 375 S CB -0.621 62.626 63.200 0.078 0.000 0.861 375 S HN 0.881 nan 8.310 nan 0.000 0.456 376 E N 0.583 120.846 120.200 0.105 0.000 2.077 376 E HA -0.118 4.232 4.350 -0.000 0.000 0.193 376 E C 2.190 178.855 176.600 0.109 0.000 0.989 376 E CA 1.091 57.549 56.400 0.097 0.000 0.800 376 E CB -0.341 29.397 29.700 0.063 0.000 0.746 376 E HN 0.537 nan 8.360 nan 0.000 0.452 377 G N 0.018 108.879 108.800 0.102 0.000 2.408 377 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.215 377 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.215 377 G C 1.281 176.241 174.900 0.100 0.000 1.156 377 G CA 0.235 45.385 45.100 0.083 0.000 0.793 377 G HN 0.289 nan 8.290 nan 0.000 0.535 378 F N 1.108 121.059 119.950 0.001 0.000 2.069 378 F HA -0.006 4.521 4.527 -0.000 0.000 0.298 378 F C 2.352 178.166 175.800 0.024 0.000 1.113 378 F CA 1.410 59.411 58.000 0.002 0.000 1.214 378 F CB -0.431 38.564 39.000 -0.008 0.000 0.978 378 F HN 0.092 nan 8.300 nan 0.000 0.474 379 L N 0.388 121.634 121.223 0.038 0.000 2.079 379 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 379 L C 2.009 178.873 176.870 -0.010 0.000 1.081 379 L CA 2.347 57.188 54.840 0.001 0.000 0.752 379 L CB -0.739 41.429 42.059 0.181 0.000 0.896 379 L HN 0.297 nan 8.230 nan 0.000 0.433 380 D N -1.181 119.272 120.400 0.089 0.000 2.149 380 D HA -0.241 4.399 4.640 -0.000 0.000 0.201 380 D C 2.056 178.299 176.300 -0.095 0.000 0.972 380 D CA 1.033 55.120 54.000 0.144 0.000 0.835 380 D CB 0.074 40.991 40.800 0.194 0.000 0.966 380 D HN 0.350 nan 8.370 nan 0.000 0.476 381 E N -0.101 120.037 120.200 -0.104 0.000 2.051 381 E HA -0.118 4.232 4.350 -0.000 0.000 0.192 381 E C 2.078 178.566 176.600 -0.187 0.000 0.991 381 E CA 1.252 57.596 56.400 -0.094 0.000 0.799 381 E CB -0.412 29.273 29.700 -0.026 0.000 0.748 381 E HN 0.210 nan 8.360 nan 0.000 0.449 382 V N 0.398 120.096 119.914 -0.360 0.000 2.343 382 V HA -0.184 3.936 4.120 -0.000 0.000 0.247 382 V C 2.328 178.189 176.094 -0.389 0.000 1.051 382 V CA 1.898 63.992 62.300 -0.344 0.000 1.036 382 V CB -1.212 30.261 31.823 -0.584 0.000 0.654 382 V HN 0.483 nan 8.190 nan 0.000 0.451 383 G N 0.194 108.520 108.800 -0.791 0.000 2.421 383 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.216 383 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.216 383 G C 1.780 176.165 174.900 -0.858 0.000 1.171 383 G CA 1.236 45.413 45.100 -1.538 0.000 0.775 383 G HN 0.582 nan 8.290 nan 0.000 0.543 384 S N 0.318 115.708 115.700 -0.516 0.000 2.387 384 S HA -0.080 4.390 4.470 -0.000 0.000 0.226 384 S C 2.192 176.746 174.600 -0.078 0.000 1.026 384 S CA 1.078 59.184 58.200 -0.157 0.000 0.972 384 S CB -0.291 62.888 63.200 -0.035 0.000 0.814 384 S HN 0.479 nan 8.310 nan 0.000 0.477 385 Q N 1.124 120.876 119.800 -0.079 0.000 2.061 385 Q HA -0.099 4.241 4.340 -0.000 0.000 0.204 385 Q C 2.579 178.601 176.000 0.036 0.000 0.984 385 Q CA 1.509 57.307 55.803 -0.009 0.000 0.846 385 Q CB -0.464 28.288 28.738 0.025 0.000 0.902 385 Q HN 0.657 nan 8.270 nan 0.000 0.421 386 A N 0.335 123.182 122.820 0.046 0.000 1.933 386 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 386 A C 1.928 179.564 177.584 0.087 0.000 1.175 386 A CA 1.149 53.272 52.037 0.143 0.000 0.628 386 A CB -0.383 18.668 19.000 0.085 0.000 0.814 386 A HN 0.241 nan 8.150 nan 0.000 0.444 387 L N -0.835 120.407 121.223 0.031 0.000 2.068 387 L HA 0.042 4.382 4.340 -0.000 0.000 0.204 387 L C 2.925 179.834 176.870 0.065 0.000 1.076 387 L CA 1.818 56.692 54.840 0.056 0.000 0.753 387 L CB -1.114 40.987 42.059 0.070 0.000 0.910 387 L HN 0.374 nan 8.230 nan 0.000 0.439 388 A N -1.155 121.697 122.820 0.054 0.000 1.872 388 A HA 0.038 4.358 4.320 -0.000 0.000 0.214 388 A C 2.253 179.865 177.584 0.047 0.000 1.187 388 A CA 1.777 53.846 52.037 0.053 0.000 0.614 388 A CB -0.664 18.359 19.000 0.039 0.000 0.826 388 A HN 0.370 nan 8.150 nan 0.000 0.442 389 A N -2.899 119.945 122.820 0.041 0.000 2.167 389 A HA 0.453 4.773 4.320 -0.000 0.000 0.208 389 A C 1.748 179.363 177.584 0.052 0.000 1.198 389 A CA 1.171 53.224 52.037 0.026 0.000 0.863 389 A CB -0.344 18.650 19.000 -0.011 0.000 0.904 389 A HN 1.935 nan 8.150 nan 0.000 0.484 390 G N -0.529 108.336 108.800 0.108 0.000 2.137 390 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.237 390 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.237 390 G C 0.195 175.266 174.900 0.284 0.000 1.002 390 G CA 1.045 46.260 45.100 0.192 0.000 0.702 390 G HN 1.968 nan 8.290 nan 0.000 0.515 391 S N -1.521 114.255 115.700 0.127 0.000 2.588 391 S HA 0.659 5.129 4.470 -0.000 0.000 0.269 391 S C -1.229 173.142 174.600 -0.382 0.000 1.157 391 S CA -0.480 57.489 58.200 -0.385 0.000 0.824 391 S CB 1.811 64.862 63.200 -0.249 0.000 1.126 391 S HN 1.569 nan 8.310 nan 0.000 0.464 392 Y N 1.806 121.611 120.300 -0.825 0.000 2.328 392 Y HA 0.625 5.175 4.550 -0.000 0.000 0.337 392 Y C -0.523 175.227 175.900 -0.250 0.000 0.966 392 Y CA -0.272 57.602 58.100 -0.376 0.000 1.136 392 Y CB 1.886 40.195 38.460 -0.251 0.000 1.170 392 Y HN 0.739 nan 8.280 nan 0.000 0.470 393 T N 9.564 123.675 114.554 -0.738 0.000 2.801 393 T HA 0.323 4.673 4.350 -0.000 0.000 0.306 393 T C -2.654 171.520 174.700 -0.876 0.000 1.020 393 T CA -1.409 60.320 62.100 -0.619 0.000 0.948 393 T CB 0.737 69.404 68.868 -0.335 0.000 0.962 393 T HN 0.448 nan 8.240 nan 0.000 0.465 394 P HA 0.141 nan 4.420 nan 0.000 0.269 394 P C -2.029 175.205 177.300 -0.110 0.000 1.217 394 P CA -1.378 61.474 63.100 -0.413 0.000 0.783 394 P CB 0.218 31.840 31.700 -0.130 0.000 0.898 395 P HA -0.194 nan 4.420 nan 0.000 0.216 395 P C 1.627 178.984 177.300 0.094 0.000 1.150 395 P CA 2.009 65.227 63.100 0.197 0.000 0.843 395 P CB -0.361 31.449 31.700 0.183 0.000 0.787 396 S N -2.174 113.547 115.700 0.036 0.000 2.461 396 S HA -0.082 4.388 4.470 -0.000 0.000 0.228 396 S C 1.940 176.525 174.600 -0.025 0.000 1.005 396 S CA 1.433 59.640 58.200 0.012 0.000 0.942 396 S CB -1.600 61.607 63.200 0.012 0.000 0.776 396 S HN 0.256 nan 8.310 nan 0.000 0.514 397 T N 0.245 114.765 114.554 -0.056 0.000 3.051 397 T HA 0.146 4.496 4.350 -0.000 0.000 0.255 397 T C 1.685 176.318 174.700 -0.111 0.000 1.085 397 T CA 0.741 62.790 62.100 -0.084 0.000 1.109 397 T CB -0.489 68.318 68.868 -0.101 0.000 0.921 397 T HN 0.191 nan 8.240 nan 0.000 0.488 398 V N 1.976 121.809 119.914 -0.135 0.000 2.343 398 V HA -0.065 4.055 4.120 -0.000 0.000 0.247 398 V C 2.755 178.758 176.094 -0.151 0.000 1.051 398 V CA 1.543 63.718 62.300 -0.209 0.000 1.036 398 V CB -0.693 30.896 31.823 -0.390 0.000 0.654 398 V HN 0.493 nan 8.190 nan 0.000 0.451 399 L N -0.427 120.754 121.223 -0.071 0.000 2.072 399 L HA -0.203 4.137 4.340 -0.000 0.000 0.205 399 L C 2.634 179.475 176.870 -0.048 0.000 1.079 399 L CA 1.952 56.768 54.840 -0.039 0.000 0.752 399 L CB -0.713 41.349 42.059 0.004 0.000 0.906 399 L HN 0.420 nan 8.230 nan 0.000 0.436 400 Q N 0.235 120.005 119.800 -0.049 0.000 2.096 400 Q HA -0.287 4.053 4.340 -0.000 0.000 0.204 400 Q C 2.198 178.162 176.000 -0.060 0.000 0.982 400 Q CA 1.865 57.639 55.803 -0.049 0.000 0.850 400 Q CB 0.033 28.742 28.738 -0.047 0.000 0.901 400 Q HN 0.474 nan 8.270 nan 0.000 0.422 401 Q N -0.178 119.574 119.800 -0.079 0.000 2.119 401 Q HA -0.097 4.243 4.340 -0.000 0.000 0.201 401 Q C 1.977 177.928 176.000 -0.082 0.000 0.972 401 Q CA 1.396 57.148 55.803 -0.085 0.000 0.847 401 Q CB 0.057 28.729 28.738 -0.109 0.000 0.903 401 Q HN 0.466 nan 8.270 nan 0.000 0.433 402 I N 0.560 121.076 120.570 -0.089 0.000 2.315 402 I HA -0.251 3.919 4.170 -0.000 0.000 0.248 402 I C 1.505 177.586 176.117 -0.061 0.000 1.117 402 I CA 0.890 62.142 61.300 -0.080 0.000 1.404 402 I CB -0.106 37.840 38.000 -0.089 0.000 1.071 402 I HN 0.133 nan 8.210 nan 0.000 0.419 403 D N 0.990 121.359 120.400 -0.052 0.000 2.178 403 D HA -0.128 4.512 4.640 -0.000 0.000 0.201 403 D C 2.197 178.472 176.300 -0.041 0.000 0.980 403 D CA 1.430 55.405 54.000 -0.041 0.000 0.842 403 D CB -0.031 40.748 40.800 -0.034 0.000 0.948 403 D HN 0.353 nan 8.370 nan 0.000 0.472 404 A N 0.445 123.238 122.820 -0.045 0.000 2.119 404 A HA 0.001 4.321 4.320 -0.000 0.000 0.217 404 A C 1.167 178.725 177.584 -0.044 0.000 1.153 404 A CA 0.063 52.075 52.037 -0.042 0.000 0.692 404 A CB -0.093 18.882 19.000 -0.042 0.000 0.799 404 A HN 0.053 nan 8.150 nan 0.000 0.458 405 V N 1.535 121.418 119.914 -0.051 0.000 2.452 405 V HA 0.227 4.347 4.120 -0.000 0.000 0.286 405 V C 1.032 177.094 176.094 -0.052 0.000 0.995 405 V CA -0.027 62.239 62.300 -0.057 0.000 1.116 405 V CB -0.830 30.954 31.823 -0.065 0.000 0.954 405 V HN 0.524 nan 8.190 nan 0.000 0.473 406 A N 4.090 126.878 122.820 -0.052 0.000 2.332 406 A HA 0.272 4.592 4.320 -0.000 0.000 0.258 406 A C 1.153 178.705 177.584 -0.053 0.000 1.087 406 A CA -0.338 51.671 52.037 -0.046 0.000 0.802 406 A CB 0.126 19.101 19.000 -0.042 0.000 1.042 406 A HN 0.829 nan 8.150 nan 0.000 0.489 407 D N 0.967 121.340 120.400 -0.044 0.000 2.133 407 D HA -0.135 4.505 4.640 -0.000 0.000 0.195 407 D C 2.178 178.446 176.300 -0.053 0.000 0.997 407 D CA 2.297 56.270 54.000 -0.044 0.000 0.840 407 D CB -0.249 40.532 40.800 -0.031 0.000 0.947 407 D HN 0.644 nan 8.370 nan 0.000 0.452 408 A N 0.886 123.676 122.820 -0.049 0.000 1.940 408 A HA -0.221 4.099 4.320 -0.000 0.000 0.219 408 A C 1.759 179.299 177.584 -0.074 0.000 1.176 408 A CA 1.843 53.849 52.037 -0.052 0.000 0.631 408 A CB -0.468 18.508 19.000 -0.040 0.000 0.814 408 A HN 0.108 nan 8.150 nan 0.000 0.446 409 D N -0.168 120.180 120.400 -0.086 0.000 2.117 409 D HA -0.114 4.526 4.640 -0.000 0.000 0.197 409 D C 2.080 178.265 176.300 -0.190 0.000 0.987 409 D CA 1.600 55.526 54.000 -0.124 0.000 0.829 409 D CB -0.477 40.256 40.800 -0.112 0.000 0.961 409 D HN 0.272 nan 8.370 nan 0.000 0.460 410 V N 1.260 121.074 119.914 -0.168 0.000 2.358 410 V HA -0.198 3.922 4.120 -0.000 0.000 0.246 410 V C 2.554 178.542 176.094 -0.177 0.000 1.047 410 V CA 0.982 63.163 62.300 -0.199 0.000 1.035 410 V CB -0.392 31.357 31.823 -0.124 0.000 0.658 410 V HN 0.133 nan 8.190 nan 0.000 0.452 411 I N 0.729 121.233 120.570 -0.111 0.000 2.208 411 I HA -0.255 3.915 4.170 -0.000 0.000 0.245 411 I C 2.313 178.378 176.117 -0.086 0.000 1.097 411 I CA 1.681 62.937 61.300 -0.074 0.000 1.363 411 I CB -0.535 37.437 38.000 -0.045 0.000 1.051 411 I HN 0.329 nan 8.210 nan 0.000 0.413 412 N N 0.798 119.429 118.700 -0.115 0.000 2.188 412 N HA -0.097 4.643 4.740 -0.000 0.000 0.184 412 N C 1.852 177.262 175.510 -0.167 0.000 1.018 412 N CA 1.451 54.437 53.050 -0.108 0.000 0.858 412 N CB -0.374 38.056 38.487 -0.096 0.000 0.989 412 N HN 0.374 nan 8.380 nan 0.000 0.426 413 A N 0.662 123.257 122.820 -0.375 0.000 1.898 413 A HA 0.063 4.383 4.320 -0.000 0.000 0.216 413 A C 2.296 179.690 177.584 -0.317 0.000 1.181 413 A CA 1.792 53.368 52.037 -0.768 0.000 0.620 413 A CB -0.956 17.120 19.000 -1.541 0.000 0.819 413 A HN 0.291 nan 8.150 nan 0.000 0.442 414 A N -0.368 122.353 122.820 -0.166 0.000 1.902 414 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 414 A C 2.137 179.843 177.584 0.204 0.000 1.181 414 A CA 1.835 53.934 52.037 0.104 0.000 0.623 414 A CB -0.456 18.588 19.000 0.074 0.000 0.818 414 A HN 0.489 nan 8.150 nan 0.000 0.443 415 K N -0.527 119.927 120.400 0.090 0.000 2.063 415 K HA -0.212 4.108 4.320 -0.000 0.000 0.208 415 K C 2.209 178.884 176.600 0.125 0.000 1.048 415 K CA 1.883 58.223 56.287 0.088 0.000 0.928 415 K CB -0.136 32.384 32.500 0.034 0.000 0.713 415 K HN 0.487 nan 8.250 nan 0.000 0.442 416 K N 0.330 120.822 120.400 0.153 0.000 2.057 416 K HA -0.151 4.168 4.320 -0.000 0.000 0.206 416 K C 1.920 178.681 176.600 0.267 0.000 1.050 416 K CA 1.089 57.496 56.287 0.200 0.000 0.935 416 K CB -0.287 32.376 32.500 0.273 0.000 0.715 416 K HN 0.039 nan 8.250 nan 0.000 0.439 417 F N 0.592 120.704 119.950 0.269 0.000 2.102 417 F HA -0.157 4.370 4.527 -0.000 0.000 0.298 417 F C 1.609 177.572 175.800 0.272 0.000 1.105 417 F CA 1.427 59.617 58.000 0.317 0.000 1.239 417 F CB -0.447 38.852 39.000 0.497 0.000 0.991 417 F HN -0.160 nan 8.300 nan 0.000 0.474 418 V N 0.436 120.400 119.914 0.084 0.000 2.407 418 V HA -0.265 3.855 4.120 -0.000 0.000 0.248 418 V C 2.488 178.573 176.094 -0.015 0.000 1.055 418 V CA 2.069 64.382 62.300 0.022 0.000 1.049 418 V CB -1.117 30.777 31.823 0.119 0.000 0.662 418 V HN 0.590 nan 8.190 nan 0.000 0.455 419 S N -0.181 115.525 115.700 0.011 0.000 2.528 419 S HA 0.191 4.661 4.470 -0.000 0.000 0.219 419 S C 1.113 175.707 174.600 -0.010 0.000 0.985 419 S CA 0.360 58.565 58.200 0.009 0.000 0.914 419 S CB -0.064 63.151 63.200 0.025 0.000 0.776 419 S HN 0.542 nan 8.310 nan 0.000 0.526 420 G N 1.066 109.844 108.800 -0.037 0.000 2.400 420 G HA2 0.488 4.448 3.960 -0.000 0.000 0.301 420 G HA3 0.488 4.448 3.960 -0.000 0.000 0.301 420 G C -0.550 174.320 174.900 -0.050 0.000 1.154 420 G CA -1.046 44.032 45.100 -0.037 0.000 0.852 420 G HN 0.348 nan 8.290 nan 0.000 0.511 421 R N 1.026 121.531 120.500 0.008 0.000 2.502 421 R HA 0.055 4.395 4.340 -0.000 0.000 0.292 421 R C 0.171 176.516 176.300 0.075 0.000 0.998 421 R CA 0.091 56.216 56.100 0.042 0.000 1.056 421 R CB 0.351 30.710 30.300 0.099 0.000 0.939 421 R HN 0.245 nan 8.270 nan 0.000 0.411 422 K N 1.546 121.928 120.400 -0.029 0.000 2.098 422 K HA 0.284 4.604 4.320 -0.000 0.000 0.257 422 K C -0.443 176.119 176.600 -0.064 0.000 0.999 422 K CA -0.300 55.945 56.287 -0.070 0.000 0.924 422 K CB 1.833 34.224 32.500 -0.182 0.000 1.028 422 K HN 0.503 nan 8.250 nan 0.000 0.466 423 S N 1.039 116.695 115.700 -0.073 0.000 2.536 423 S HA 0.601 5.071 4.470 -0.000 0.000 0.287 423 S C -0.725 173.765 174.600 -0.183 0.000 1.101 423 S CA -0.751 57.355 58.200 -0.156 0.000 0.950 423 S CB 1.712 64.802 63.200 -0.183 0.000 1.056 423 S HN 0.545 nan 8.310 nan 0.000 0.481 424 M N 2.669 122.157 119.600 -0.187 0.000 2.324 424 M HA 0.713 5.192 4.480 -0.000 0.000 0.288 424 M C -1.798 174.396 176.300 -0.177 0.000 1.097 424 M CA -0.479 54.698 55.300 -0.205 0.000 0.928 424 M CB 1.725 34.213 32.600 -0.187 0.000 1.648 424 M HN 0.803 nan 8.290 nan 0.000 0.460 425 A N 3.082 125.781 122.820 -0.202 0.000 2.386 425 A HA 1.023 5.343 4.320 -0.000 0.000 0.311 425 A C -1.520 175.950 177.584 -0.190 0.000 1.068 425 A CA -0.411 51.531 52.037 -0.159 0.000 0.743 425 A CB 1.682 20.613 19.000 -0.115 0.000 1.258 425 A HN 1.034 nan 8.150 nan 0.000 0.429 426 A N 0.833 123.563 122.820 -0.151 0.000 2.572 426 A HA 0.925 5.245 4.320 -0.000 0.000 0.295 426 A C -0.431 177.089 177.584 -0.108 0.000 1.072 426 A CA 0.110 52.057 52.037 -0.150 0.000 0.691 426 A CB 1.386 20.283 19.000 -0.172 0.000 1.291 426 A HN 2.331 nan 8.150 nan 0.000 0.404 427 S N -0.123 115.528 115.700 -0.081 0.000 2.541 427 S HA 0.970 5.440 4.470 -0.000 0.000 0.271 427 S C -0.093 174.480 174.600 -0.044 0.000 1.133 427 S CA 0.078 58.229 58.200 -0.082 0.000 0.876 427 S CB 1.283 64.407 63.200 -0.126 0.000 1.105 427 S HN 2.841 nan 8.310 nan 0.000 0.470 428 G N 1.573 110.339 108.800 -0.056 0.000 2.315 428 G HA2 0.066 4.026 3.960 -0.000 0.000 0.296 428 G HA3 0.066 4.026 3.960 -0.000 0.000 0.296 428 G C -1.551 173.328 174.900 -0.036 0.000 1.289 428 G CA -0.974 44.111 45.100 -0.025 0.000 0.996 428 G HN 0.845 nan 8.290 nan 0.000 0.487 429 N N 1.113 119.803 118.700 -0.017 0.000 2.400 429 N HA 0.214 4.954 4.740 -0.000 0.000 0.267 429 N C 1.340 176.831 175.510 -0.032 0.000 1.208 429 N CA -0.043 52.996 53.050 -0.018 0.000 0.951 429 N CB 0.181 38.672 38.487 0.007 0.000 1.227 429 N HN 0.451 nan 8.380 nan 0.000 0.488 430 L N 1.906 123.086 121.223 -0.073 0.000 2.629 430 L HA 0.194 4.533 4.340 -0.000 0.000 0.230 430 L C 2.096 178.870 176.870 -0.161 0.000 1.151 430 L CA -0.159 54.607 54.840 -0.123 0.000 0.924 430 L CB -0.004 41.952 42.059 -0.171 0.000 1.137 430 L HN 0.486 nan 8.230 nan 0.000 0.457 431 G N -0.617 108.096 108.800 -0.145 0.000 2.479 431 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.220 431 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.220 431 G C 0.929 175.511 174.900 -0.531 0.000 1.115 431 G CA 0.730 45.663 45.100 -0.279 0.000 0.757 431 G HN 0.522 nan 8.290 nan 0.000 0.560 432 H N -1.495 117.536 119.070 -0.065 0.000 3.078 432 H HA 0.252 4.808 4.556 -0.000 0.000 0.263 432 H C 0.044 175.323 175.328 -0.081 0.000 1.177 432 H CA -0.216 55.797 56.048 -0.058 0.000 1.128 432 H CB 0.814 30.551 29.762 -0.042 0.000 1.623 432 H HN 0.069 nan 8.280 nan 0.000 0.592 433 T N 4.735 119.244 114.554 -0.075 0.000 2.749 433 T HA 0.168 4.518 4.350 -0.000 0.000 0.295 433 T C -2.342 172.233 174.700 -0.210 0.000 0.936 433 T CA -1.383 60.639 62.100 -0.129 0.000 1.060 433 T CB 1.259 70.026 68.868 -0.169 0.000 0.904 433 T HN 0.129 nan 8.240 nan 0.000 0.500 434 P HA 0.272 nan 4.420 nan 0.000 0.275 434 P C -0.412 176.788 177.300 -0.166 0.000 1.228 434 P CA -0.532 62.516 63.100 -0.087 0.000 0.786 434 P CB 0.531 32.235 31.700 0.007 0.000 0.927 435 F N 0.501 120.426 119.950 -0.042 0.000 2.426 435 F HA 0.154 4.681 4.527 -0.000 0.000 0.309 435 F C 2.415 178.178 175.800 -0.062 0.000 1.246 435 F CA -0.183 57.783 58.000 -0.057 0.000 1.229 435 F CB -0.280 38.689 39.000 -0.051 0.000 1.255 435 F HN 0.205 nan 8.300 nan 0.000 0.558 436 I N 0.614 121.269 120.570 0.142 0.000 2.226 436 I HA -0.288 3.882 4.170 -0.000 0.000 0.245 436 I C 1.941 178.078 176.117 0.034 0.000 1.100 436 I CA 1.526 62.837 61.300 0.018 0.000 1.374 436 I CB -0.423 37.555 38.000 -0.036 0.000 1.057 436 I HN 0.630 nan 8.210 nan 0.000 0.413 437 D N 0.429 120.859 120.400 0.051 0.000 2.350 437 D HA -0.193 4.446 4.640 -0.000 0.000 0.216 437 D C 1.452 177.785 176.300 0.056 0.000 0.968 437 D CA 0.906 54.925 54.000 0.031 0.000 0.894 437 D CB -0.539 40.255 40.800 -0.010 0.000 0.909 437 D HN 0.428 nan 8.370 nan 0.000 0.520 438 E N -0.342 119.915 120.200 0.094 0.000 2.479 438 E HA 0.194 4.544 4.350 -0.000 0.000 0.193 438 E C 0.571 177.230 176.600 0.098 0.000 1.049 438 E CA -0.213 56.245 56.400 0.097 0.000 0.870 438 E CB 0.531 30.309 29.700 0.130 0.000 0.944 438 E HN 0.342 nan 8.360 nan 0.000 0.492 439 L N 0.000 121.289 121.223 0.110 0.000 2.949 439 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 439 L CA 0.000 54.947 54.840 0.179 0.000 0.813 439 L CB 0.000 42.128 42.059 0.115 0.000 0.961 439 L HN 0.000 nan 8.230 nan 0.000 0.502