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 1jlx_1_A DATA FIRST_RESID 1 DATA SEQUENCE AGLPVIMCLK SNNHQKYLRY QSDNIQQYGL LQFSADKILD PLAQFEVEPS DATA SEQUENCE KTYDGLVHIK SRYTNKYLVR WSPNHYWITA SANEPDENKS NWACTLFKPL DATA SEQUENCE YVEEGNMKKV RLLHVQLGHY TQNYTVGGSF VSYLFAESSQ IDTGSKDVFH DATA SEQUENCE VIDWKSIFQF PKGYVTFKGN NGKYLGVITI NQLPCLQFGY DNLNDPKVAH DATA SEQUENCE QMFVTSNGTI CIKSNYMNKF WRLSTDDWIL VDGNDPRETN EAAALFRSDV DATA SEQUENCE HDFNVISLLN MQKTWFIKRF TSGKPGFINC MNAATQNVDE TAILEIIEL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.721 177.584 0.228 0.000 1.274 1 A CA 0.000 52.131 52.037 0.157 0.000 0.836 1 A CB 0.000 19.090 19.000 0.150 0.000 0.831 2 G N -0.739 108.164 108.800 0.171 0.000 2.176 2 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.253 2 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.253 2 G C 0.164 175.189 174.900 0.209 0.000 0.979 2 G CA 0.454 45.645 45.100 0.153 0.000 0.641 2 G HN 0.897 nan 8.290 nan 0.000 0.530 3 L N 1.095 122.451 121.223 0.223 0.000 2.360 3 L HA 0.519 4.859 4.340 -0.000 0.000 0.271 3 L C -1.672 175.292 176.870 0.157 0.000 1.057 3 L CA -2.161 52.801 54.840 0.205 0.000 0.803 3 L CB 1.083 43.250 42.059 0.180 0.000 1.207 3 L HN -0.098 nan 8.230 nan 0.000 0.445 4 P HA 0.055 nan 4.420 nan 0.000 0.271 4 P C 0.766 178.153 177.300 0.145 0.000 1.218 4 P CA -0.452 62.736 63.100 0.147 0.000 0.780 4 P CB 0.898 32.700 31.700 0.170 0.000 0.901 5 V N 2.414 122.409 119.914 0.135 0.000 2.332 5 V HA -0.156 3.964 4.120 -0.000 0.000 0.248 5 V C 1.152 177.329 176.094 0.138 0.000 1.055 5 V CA 1.632 64.009 62.300 0.128 0.000 1.038 5 V CB -0.558 31.333 31.823 0.114 0.000 0.651 5 V HN 0.460 nan 8.190 nan 0.000 0.450 6 I N 0.719 121.391 120.570 0.170 0.000 2.466 6 I HA 0.481 4.651 4.170 -0.000 0.000 0.289 6 I C -0.399 175.853 176.117 0.225 0.000 1.026 6 I CA -0.209 61.198 61.300 0.177 0.000 1.078 6 I CB 1.624 39.767 38.000 0.237 0.000 1.249 6 I HN 0.243 nan 8.210 nan 0.000 0.429 7 M N 4.877 124.591 119.600 0.189 0.000 2.667 7 M HA 0.779 5.259 4.480 -0.000 0.000 0.286 7 M C -1.650 174.781 176.300 0.219 0.000 1.270 7 M CA -0.472 54.963 55.300 0.224 0.000 0.826 7 M CB 2.476 35.194 32.600 0.196 0.000 1.743 7 M HN 0.428 nan 8.290 nan 0.000 0.460 8 C N 1.149 120.602 119.300 0.255 0.000 2.634 8 C HA 0.837 5.297 4.460 -0.000 0.000 0.313 8 C C -0.761 174.409 174.990 0.300 0.000 1.198 8 C CA -0.723 58.464 59.018 0.281 0.000 1.605 8 C CB 1.835 29.731 27.740 0.261 0.000 2.196 8 C HN 0.811 nan 8.230 nan 0.000 0.486 9 L N 2.511 123.895 121.223 0.270 0.000 2.381 9 L HA 0.573 4.913 4.340 -0.000 0.000 0.274 9 L C -0.222 176.831 176.870 0.306 0.000 0.988 9 L CA -0.278 54.676 54.840 0.190 0.000 0.824 9 L CB 1.388 43.374 42.059 -0.122 0.000 1.263 9 L HN 0.589 nan 8.230 nan 0.000 0.410 10 K N 1.771 122.318 120.400 0.245 0.000 2.221 10 K HA 0.495 4.815 4.320 -0.000 0.000 0.258 10 K C -0.887 175.770 176.600 0.095 0.000 0.944 10 K CA -0.359 55.940 56.287 0.019 0.000 0.823 10 K CB 2.070 34.429 32.500 -0.235 0.000 1.113 10 K HN 0.489 nan 8.250 nan 0.000 0.431 11 S N 2.296 118.009 115.700 0.023 0.000 2.429 11 S HA 0.111 4.581 4.470 -0.000 0.000 0.302 11 S C 0.728 175.295 174.600 -0.055 0.000 1.115 11 S CA -0.652 57.447 58.200 -0.168 0.000 1.095 11 S CB 0.364 63.143 63.200 -0.701 0.000 0.987 11 S HN 0.769 nan 8.310 nan 0.000 0.474 12 N N 4.862 123.478 118.700 -0.140 0.000 2.289 12 N HA -0.187 4.553 4.740 -0.000 0.000 0.184 12 N C 1.461 176.959 175.510 -0.021 0.000 1.016 12 N CA 1.296 54.323 53.050 -0.039 0.000 0.872 12 N CB -0.392 38.055 38.487 -0.066 0.000 0.973 12 N HN 0.647 nan 8.380 nan 0.000 0.433 13 N N 0.729 119.371 118.700 -0.096 0.000 2.205 13 N HA -0.246 4.494 4.740 -0.000 0.000 0.186 13 N C 0.577 176.105 175.510 0.029 0.000 1.015 13 N CA 1.621 54.607 53.050 -0.107 0.000 0.862 13 N CB -0.025 38.304 38.487 -0.264 0.000 0.986 13 N HN 0.699 nan 8.380 nan 0.000 0.429 14 H N -1.963 117.050 119.070 -0.094 0.000 3.334 14 H HA 0.198 4.754 4.556 -0.000 0.000 0.256 14 H C -0.743 174.563 175.328 -0.037 0.000 1.162 14 H CA -0.107 55.911 56.048 -0.051 0.000 1.030 14 H CB -1.099 28.640 29.762 -0.038 0.000 2.151 14 H HN 0.091 nan 8.280 nan 0.000 0.742 15 Q N 1.088 120.923 119.800 0.058 0.000 2.439 15 Q HA -0.199 4.141 4.340 -0.000 0.000 0.325 15 Q C -0.821 175.019 176.000 -0.267 0.000 1.372 15 Q CA 1.015 56.762 55.803 -0.093 0.000 0.909 15 Q CB -2.053 26.660 28.738 -0.041 0.000 1.167 15 Q HN 0.634 nan 8.270 nan 0.000 0.418 16 K N 0.333 120.503 120.400 -0.383 0.000 2.395 16 K HA 0.598 4.918 4.320 -0.000 0.000 0.247 16 K C -0.324 176.248 176.600 -0.046 0.000 0.973 16 K CA -0.920 55.202 56.287 -0.274 0.000 0.828 16 K CB 1.038 33.272 32.500 -0.445 0.000 1.272 16 K HN 0.040 nan 8.250 nan 0.000 0.439 17 Y N 0.504 120.902 120.300 0.164 0.000 2.320 17 Y HA 0.231 4.781 4.550 -0.000 0.000 0.324 17 Y C 0.571 176.523 175.900 0.086 0.000 1.190 17 Y CA -0.847 57.368 58.100 0.192 0.000 1.215 17 Y CB 0.852 39.386 38.460 0.124 0.000 1.221 17 Y HN 0.359 nan 8.280 nan 0.000 0.486 18 L N 4.782 126.034 121.223 0.049 0.000 2.453 18 L HA 0.320 4.660 4.340 -0.000 0.000 0.272 18 L C -0.325 176.561 176.870 0.027 0.000 1.182 18 L CA 0.044 54.621 54.840 -0.437 0.000 0.858 18 L CB -0.027 41.537 42.059 -0.825 0.000 1.120 18 L HN 0.824 nan 8.230 nan 0.000 0.474 19 R N 3.301 123.798 120.500 -0.005 0.000 2.707 19 R HA 0.370 4.710 4.340 -0.000 0.000 0.272 19 R C -1.474 174.894 176.300 0.113 0.000 1.011 19 R CA -0.904 55.263 56.100 0.110 0.000 0.893 19 R CB 0.422 30.737 30.300 0.025 0.000 1.233 19 R HN 0.476 nan 8.270 nan 0.000 0.464 20 Y N 1.774 122.076 120.300 0.005 0.000 2.526 20 Y HA 0.085 4.635 4.550 -0.000 0.000 0.330 20 Y C -0.057 175.809 175.900 -0.056 0.000 1.156 20 Y CA 0.320 58.413 58.100 -0.012 0.000 1.419 20 Y CB 0.951 39.396 38.460 -0.024 0.000 1.250 20 Y HN 0.732 nan 8.280 nan 0.000 0.540 21 Q N 3.885 123.364 119.800 -0.536 0.000 2.323 21 Q HA 0.177 4.517 4.340 -0.000 0.000 0.257 21 Q C 0.182 175.872 176.000 -0.516 0.000 1.022 21 Q CA 0.494 56.082 55.803 -0.358 0.000 0.919 21 Q CB 0.757 29.378 28.738 -0.195 0.000 1.220 21 Q HN 0.718 nan 8.270 nan 0.000 0.427 22 S N 1.364 117.024 115.700 -0.066 0.000 2.523 22 S HA 0.187 4.657 4.470 -0.000 0.000 0.217 22 S C -0.013 174.777 174.600 0.317 0.000 0.996 22 S CA -0.416 57.917 58.200 0.221 0.000 0.921 22 S CB 0.195 63.594 63.200 0.332 0.000 0.829 22 S HN 0.553 nan 8.310 nan 0.000 0.495 23 D N 3.139 123.643 120.400 0.174 0.000 2.382 23 D HA 0.167 4.807 4.640 -0.000 0.000 0.240 23 D C -0.296 176.138 176.300 0.223 0.000 1.146 23 D CA 0.211 54.303 54.000 0.154 0.000 0.897 23 D CB 0.126 40.972 40.800 0.077 0.000 1.197 23 D HN 0.383 nan 8.370 nan 0.000 0.432 24 N N 0.979 119.752 118.700 0.123 0.000 3.178 24 N HA 0.190 4.930 4.740 -0.000 0.000 0.300 24 N C -0.299 175.238 175.510 0.045 0.000 1.242 24 N CA -0.189 52.896 53.050 0.058 0.000 1.192 24 N CB -0.216 38.269 38.487 -0.003 0.000 1.463 24 N HN 0.349 nan 8.380 nan 0.000 0.539 25 I N -3.682 116.935 120.570 0.078 0.000 3.206 25 I HA 0.254 4.424 4.170 -0.000 0.000 0.313 25 I C 1.347 177.479 176.117 0.024 0.000 1.103 25 I CA -1.059 60.253 61.300 0.019 0.000 0.985 25 I CB 1.710 39.697 38.000 -0.022 0.000 1.240 25 I HN 0.048 nan 8.210 nan 0.000 0.464 26 Q N 0.910 120.686 119.800 -0.040 0.000 2.133 26 Q HA -0.247 4.093 4.340 -0.000 0.000 0.208 26 Q C 1.382 177.378 176.000 -0.008 0.000 0.991 26 Q CA 2.445 58.237 55.803 -0.018 0.000 0.867 26 Q CB -0.002 28.676 28.738 -0.099 0.000 0.911 26 Q HN 0.779 nan 8.270 nan 0.000 0.417 27 Q N -0.359 119.274 119.800 -0.278 0.000 2.482 27 Q HA 0.010 4.350 4.340 -0.000 0.000 0.209 27 Q C -0.646 175.172 176.000 -0.304 0.000 0.961 27 Q CA 0.034 55.514 55.803 -0.540 0.000 0.945 27 Q CB -0.256 27.908 28.738 -0.957 0.000 1.012 27 Q HN 0.396 nan 8.270 nan 0.000 0.515 28 Y N 0.375 120.590 120.300 -0.141 0.000 2.895 28 Y HA 0.101 4.651 4.550 -0.000 0.000 0.334 28 Y C 1.533 177.357 175.900 -0.126 0.000 1.261 28 Y CA 1.679 59.718 58.100 -0.102 0.000 1.560 28 Y CB 0.078 38.541 38.460 0.005 0.000 1.253 28 Y HN 0.345 nan 8.280 nan 0.000 0.582 29 G N 4.218 112.281 108.800 -1.228 0.000 2.268 29 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.240 29 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.240 29 G C 0.086 174.649 174.900 -0.562 0.000 1.010 29 G CA 0.133 44.698 45.100 -0.892 0.000 0.618 29 G HN 0.735 nan 8.290 nan 0.000 0.516 30 L N 0.523 121.445 121.223 -0.501 0.000 2.479 30 L HA 0.589 4.929 4.340 -0.000 0.000 0.248 30 L C 0.838 177.635 176.870 -0.121 0.000 1.205 30 L CA -0.591 54.057 54.840 -0.320 0.000 0.817 30 L CB 0.549 42.290 42.059 -0.530 0.000 1.162 30 L HN 0.073 nan 8.230 nan 0.000 0.486 31 L N 1.634 122.896 121.223 0.065 0.000 2.294 31 L HA 0.413 4.753 4.340 -0.000 0.000 0.283 31 L C -0.325 176.490 176.870 -0.091 0.000 1.015 31 L CA -0.154 54.683 54.840 -0.005 0.000 0.831 31 L CB 1.304 43.330 42.059 -0.055 0.000 1.217 31 L HN 0.562 nan 8.230 nan 0.000 0.420 32 Q N 2.387 122.023 119.800 -0.273 0.000 2.282 32 Q HA 0.412 4.752 4.340 -0.000 0.000 0.260 32 Q C -1.144 174.664 176.000 -0.320 0.000 0.964 32 Q CA -0.801 54.701 55.803 -0.501 0.000 0.880 32 Q CB 1.588 29.893 28.738 -0.722 0.000 1.286 32 Q HN 0.446 nan 8.270 nan 0.000 0.445 33 F N 2.790 122.706 119.950 -0.057 0.000 2.619 33 F HA 0.103 4.630 4.527 0.000 0.000 0.350 33 F C 0.784 176.640 175.800 0.093 0.000 1.259 33 F CA 0.165 58.231 58.000 0.111 0.000 1.204 33 F CB 0.437 39.628 39.000 0.318 0.000 1.556 33 F HN 0.556 nan 8.300 nan 0.000 0.650 34 S N 0.043 115.791 115.700 0.079 0.000 2.893 34 S HA 0.468 4.938 4.470 -0.000 0.000 0.258 34 S C 0.357 174.976 174.600 0.030 0.000 1.034 34 S CA -0.310 57.905 58.200 0.024 0.000 1.167 34 S CB 0.038 63.223 63.200 -0.026 0.000 1.137 34 S HN 0.330 nan 8.310 nan 0.000 0.650 35 A N 1.912 124.782 122.820 0.084 0.000 2.404 35 A HA 0.451 4.771 4.320 -0.000 0.000 0.273 35 A C 0.780 178.473 177.584 0.183 0.000 1.144 35 A CA -0.312 51.792 52.037 0.112 0.000 0.806 35 A CB 0.130 19.211 19.000 0.134 0.000 1.080 35 A HN 0.294 nan 8.150 nan 0.000 0.509 36 D N 1.841 122.313 120.400 0.118 0.000 2.149 36 D HA -0.030 4.610 4.640 -0.000 0.000 0.201 36 D C 0.206 176.632 176.300 0.210 0.000 0.972 36 D CA 1.405 55.485 54.000 0.135 0.000 0.835 36 D CB 0.248 41.090 40.800 0.070 0.000 0.966 36 D HN 0.602 nan 8.370 nan 0.000 0.476 37 K N 0.209 120.683 120.400 0.123 0.000 2.203 37 K HA 0.359 4.679 4.320 -0.000 0.000 0.251 37 K C 0.743 177.243 176.600 -0.166 0.000 0.944 37 K CA -0.509 55.798 56.287 0.034 0.000 0.829 37 K CB 2.764 35.274 32.500 0.017 0.000 1.125 37 K HN -0.192 nan 8.250 nan 0.000 0.430 38 I N 2.362 122.689 120.570 -0.404 0.000 2.830 38 I HA -0.146 4.024 4.170 -0.000 0.000 0.263 38 I C 0.805 176.849 176.117 -0.122 0.000 1.230 38 I CA 1.056 62.002 61.300 -0.590 0.000 1.480 38 I CB 0.232 37.922 38.000 -0.517 0.000 1.095 38 I HN 0.592 nan 8.210 nan 0.000 0.455 39 L N -0.141 121.065 121.223 -0.028 0.000 2.395 39 L HA -0.034 4.306 4.340 -0.000 0.000 0.218 39 L C 0.841 177.730 176.870 0.031 0.000 1.130 39 L CA 0.121 55.033 54.840 0.119 0.000 0.826 39 L CB -0.666 41.439 42.059 0.077 0.000 0.941 39 L HN 0.220 nan 8.230 nan 0.000 0.451 40 D N 2.362 122.729 120.400 -0.055 0.000 2.581 40 D HA -0.060 4.580 4.640 -0.000 0.000 0.238 40 D C -1.462 174.743 176.300 -0.158 0.000 1.145 40 D CA -0.895 53.056 54.000 -0.081 0.000 0.866 40 D CB 1.351 42.109 40.800 -0.071 0.000 1.151 40 D HN 0.055 nan 8.370 nan 0.000 0.500 41 P HA -0.076 nan 4.420 nan 0.000 0.239 41 P C 0.968 178.082 177.300 -0.309 0.000 1.184 41 P CA 0.071 63.043 63.100 -0.212 0.000 0.760 41 P CB 0.419 32.031 31.700 -0.147 0.000 0.884 42 L N -1.095 119.959 121.223 -0.280 0.000 2.640 42 L HA 0.321 4.661 4.340 -0.000 0.000 0.230 42 L C 2.003 178.710 176.870 -0.273 0.000 1.123 42 L CA -0.014 54.655 54.840 -0.286 0.000 0.900 42 L CB -1.238 40.713 42.059 -0.180 0.000 1.146 42 L HN -0.099 nan 8.230 nan 0.000 0.484 43 A N -1.337 121.309 122.820 -0.290 0.000 2.308 43 A HA 0.211 4.531 4.320 -0.000 0.000 0.217 43 A C 0.686 178.067 177.584 -0.338 0.000 1.216 43 A CA -0.067 51.852 52.037 -0.198 0.000 0.864 43 A CB -0.172 18.760 19.000 -0.114 0.000 0.902 43 A HN 0.286 nan 8.150 nan 0.000 0.499 44 Q N -0.860 118.552 119.800 -0.647 0.000 2.230 44 Q HA 0.693 5.033 4.340 -0.000 0.000 0.253 44 Q C -1.315 174.190 176.000 -0.824 0.000 0.919 44 Q CA 0.247 55.660 55.803 -0.649 0.000 0.908 44 Q CB 1.274 29.519 28.738 -0.820 0.000 1.245 44 Q HN 0.378 nan 8.270 nan 0.000 0.437 45 F N -0.022 119.826 119.950 -0.170 0.000 2.556 45 F HA 0.357 4.884 4.527 -0.000 0.000 0.314 45 F C -0.007 175.755 175.800 -0.063 0.000 1.106 45 F CA -0.891 57.045 58.000 -0.107 0.000 0.911 45 F CB 1.946 40.889 39.000 -0.096 0.000 1.190 45 F HN 0.408 nan 8.300 nan 0.000 0.448 46 E N 2.288 122.536 120.200 0.081 0.000 2.166 46 E HA 0.621 4.971 4.350 -0.000 0.000 0.275 46 E C -1.572 175.100 176.600 0.119 0.000 0.941 46 E CA -0.605 55.840 56.400 0.075 0.000 0.784 46 E CB 1.648 31.358 29.700 0.016 0.000 1.115 46 E HN 0.454 nan 8.360 nan 0.000 0.399 47 V N 4.002 123.996 119.914 0.132 0.000 2.539 47 V HA 0.307 4.427 4.120 -0.000 0.000 0.292 47 V C -0.191 176.004 176.094 0.167 0.000 1.045 47 V CA -0.327 62.063 62.300 0.151 0.000 0.945 47 V CB 1.495 33.400 31.823 0.136 0.000 0.993 47 V HN 0.771 nan 8.190 nan 0.000 0.464 48 E N 6.323 126.655 120.200 0.220 0.000 2.265 48 E HA 0.403 4.753 4.350 -0.000 0.000 0.262 48 E C -2.775 173.975 176.600 0.250 0.000 0.889 48 E CA -2.009 54.534 56.400 0.237 0.000 0.789 48 E CB 2.606 32.491 29.700 0.309 0.000 1.221 48 E HN 0.455 nan 8.360 nan 0.000 0.414 49 P HA -0.078 nan 4.420 nan 0.000 0.268 49 P C -0.243 177.163 177.300 0.176 0.000 1.208 49 P CA -0.079 63.108 63.100 0.145 0.000 0.777 49 P CB 1.123 32.889 31.700 0.110 0.000 0.875 50 S N 1.281 117.039 115.700 0.098 0.000 2.531 50 S HA 0.071 4.541 4.470 -0.000 0.000 0.279 50 S C 1.337 175.981 174.600 0.074 0.000 1.305 50 S CA -0.323 57.929 58.200 0.087 0.000 1.058 50 S CB 0.113 63.325 63.200 0.019 0.000 0.899 50 S HN 0.226 nan 8.310 nan 0.000 0.493 51 K N 2.662 123.110 120.400 0.080 0.000 2.032 51 K HA -0.056 4.264 4.320 -0.000 0.000 0.209 51 K C 2.079 178.627 176.600 -0.087 0.000 1.048 51 K CA 2.315 58.604 56.287 0.002 0.000 0.927 51 K CB -0.436 32.060 32.500 -0.007 0.000 0.712 51 K HN 0.680 nan 8.250 nan 0.000 0.441 52 T N -0.900 113.530 114.554 -0.206 0.000 2.866 52 T HA 0.028 4.378 4.350 -0.000 0.000 0.250 52 T C -0.031 174.356 174.700 -0.521 0.000 1.033 52 T CA 0.772 62.592 62.100 -0.467 0.000 1.145 52 T CB -0.137 68.222 68.868 -0.847 0.000 0.866 52 T HN -0.002 nan 8.240 nan 0.000 0.434 53 Y N 2.545 122.834 120.300 -0.017 0.000 2.385 53 Y HA 0.480 5.030 4.550 0.000 0.000 0.341 53 Y C 0.060 175.951 175.900 -0.016 0.000 0.965 53 Y CA -2.460 55.625 58.100 -0.024 0.000 1.180 53 Y CB 0.019 38.451 38.460 -0.047 0.000 1.139 53 Y HN 0.069 nan 8.280 nan 0.000 0.502 54 D N 2.037 122.497 120.400 0.099 0.000 2.493 54 D HA 0.305 4.945 4.640 -0.000 0.000 0.240 54 D C 1.280 177.631 176.300 0.086 0.000 1.142 54 D CA 1.756 55.800 54.000 0.074 0.000 0.872 54 D CB 0.665 41.497 40.800 0.054 0.000 1.173 54 D HN 0.841 nan 8.370 nan 0.000 0.467 55 G N 2.502 111.349 108.800 0.078 0.000 2.241 55 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.244 55 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.244 55 G C 0.294 175.233 174.900 0.065 0.000 0.998 55 G CA 0.244 45.391 45.100 0.078 0.000 0.621 55 G HN 0.536 nan 8.290 nan 0.000 0.519 56 L N 0.595 121.853 121.223 0.058 0.000 2.357 56 L HA 0.808 5.148 4.340 -0.000 0.000 0.273 56 L C 0.258 177.124 176.870 -0.006 0.000 1.080 56 L CA -1.007 53.840 54.840 0.012 0.000 0.803 56 L CB 1.744 43.800 42.059 -0.006 0.000 1.174 56 L HN 0.006 nan 8.230 nan 0.000 0.443 57 V N 0.968 120.866 119.914 -0.026 0.000 3.007 57 V HA 0.468 4.588 4.120 -0.000 0.000 0.311 57 V C -0.745 175.333 176.094 -0.026 0.000 1.120 57 V CA -0.650 61.654 62.300 0.007 0.000 0.980 57 V CB 2.590 34.470 31.823 0.095 0.000 1.033 57 V HN 0.615 nan 8.190 nan 0.000 0.429 58 H N 4.016 123.210 119.070 0.205 0.000 2.499 58 H HA 0.653 5.209 4.556 0.000 0.000 0.340 58 H C -0.942 174.567 175.328 0.302 0.000 1.148 58 H CA -0.368 55.846 56.048 0.276 0.000 1.215 58 H CB 2.155 32.051 29.762 0.224 0.000 1.529 58 H HN 0.398 nan 8.280 nan 0.000 0.510 59 I N 2.812 123.659 120.570 0.460 0.000 2.499 59 I HA 0.243 4.413 4.170 -0.000 0.000 0.288 59 I C -0.467 175.807 176.117 0.263 0.000 1.048 59 I CA -0.765 60.689 61.300 0.257 0.000 1.062 59 I CB 2.095 40.099 38.000 0.008 0.000 1.238 59 I HN 0.420 nan 8.210 nan 0.000 0.426 60 K N 3.170 123.639 120.400 0.114 0.000 2.328 60 K HA 0.601 4.921 4.320 -0.000 0.000 0.246 60 K C -0.604 175.997 176.600 0.002 0.000 0.955 60 K CA -0.713 55.543 56.287 -0.052 0.000 0.817 60 K CB 2.224 34.424 32.500 -0.500 0.000 1.208 60 K HN 0.416 nan 8.250 nan 0.000 0.432 61 S N 0.894 116.565 115.700 -0.048 0.000 2.549 61 S HA 0.073 4.543 4.470 -0.000 0.000 0.279 61 S C 0.988 175.404 174.600 -0.308 0.000 1.321 61 S CA -0.528 57.508 58.200 -0.273 0.000 1.054 61 S CB 0.519 63.595 63.200 -0.206 0.000 0.899 61 S HN 0.649 nan 8.310 nan 0.000 0.497 62 R N 2.799 123.070 120.500 -0.381 0.000 2.075 62 R HA -0.098 4.242 4.340 -0.000 0.000 0.232 62 R C 1.734 177.915 176.300 -0.198 0.000 1.126 62 R CA 1.509 57.453 56.100 -0.261 0.000 0.963 62 R CB -1.144 28.986 30.300 -0.283 0.000 0.858 62 R HN 0.888 nan 8.270 nan 0.000 0.435 63 Y N 2.011 122.081 120.300 -0.383 0.000 2.049 63 Y HA -0.273 4.277 4.550 0.000 0.000 0.277 63 Y C 2.507 178.213 175.900 -0.323 0.000 1.143 63 Y CA 2.377 60.267 58.100 -0.351 0.000 1.115 63 Y CB -0.912 37.284 38.460 -0.439 0.000 0.975 63 Y HN 0.185 nan 8.280 nan 0.000 0.487 64 T N -2.257 111.882 114.554 -0.692 0.000 3.023 64 T HA -0.081 4.269 4.350 -0.000 0.000 0.266 64 T C 1.343 175.822 174.700 -0.368 0.000 1.093 64 T CA 0.874 62.576 62.100 -0.663 0.000 1.129 64 T CB -0.618 67.923 68.868 -0.544 0.000 0.899 64 T HN 0.667 nan 8.240 nan 0.000 0.491 65 N N 0.306 118.823 118.700 -0.305 0.000 2.782 65 N HA -0.165 4.575 4.740 -0.000 0.000 0.251 65 N C -1.028 174.310 175.510 -0.287 0.000 1.101 65 N CA 0.461 53.355 53.050 -0.261 0.000 0.764 65 N CB -0.762 37.602 38.487 -0.205 0.000 1.122 65 N HN 0.584 nan 8.380 nan 0.000 0.561 66 K N 0.541 120.799 120.400 -0.236 0.000 2.203 66 K HA 0.305 4.625 4.320 -0.000 0.000 0.251 66 K C -0.700 175.833 176.600 -0.112 0.000 0.944 66 K CA -0.574 55.622 56.287 -0.152 0.000 0.829 66 K CB 0.899 33.395 32.500 -0.007 0.000 1.125 66 K HN 0.046 nan 8.250 nan 0.000 0.430 67 Y N 1.219 121.574 120.300 0.092 0.000 2.480 67 Y HA 0.027 4.577 4.550 -0.000 0.000 0.338 67 Y C 0.458 176.483 175.900 0.208 0.000 1.220 67 Y CA -0.462 57.726 58.100 0.147 0.000 1.430 67 Y CB 0.247 38.783 38.460 0.127 0.000 1.311 67 Y HN 0.260 nan 8.280 nan 0.000 0.575 68 L N 3.180 124.660 121.223 0.428 0.000 2.410 68 L HA 0.369 4.709 4.340 -0.000 0.000 0.273 68 L C -0.016 177.151 176.870 0.494 0.000 1.152 68 L CA 0.356 55.441 54.840 0.408 0.000 0.855 68 L CB 0.440 42.684 42.059 0.309 0.000 1.129 68 L HN 0.545 nan 8.230 nan 0.000 0.463 69 V N 4.532 124.699 119.914 0.421 0.000 3.216 69 V HA 0.508 4.628 4.120 -0.000 0.000 0.302 69 V C -0.420 175.915 176.094 0.403 0.000 1.286 69 V CA -1.039 61.487 62.300 0.377 0.000 1.048 69 V CB 2.432 34.419 31.823 0.275 0.000 1.081 69 V HN 0.740 nan 8.190 nan 0.000 0.442 70 R N 1.845 122.593 120.500 0.414 0.000 2.590 70 R HA 0.059 4.399 4.340 -0.000 0.000 0.274 70 R C 0.505 177.185 176.300 0.633 0.000 1.061 70 R CA 0.178 56.550 56.100 0.454 0.000 1.081 70 R CB 0.366 30.923 30.300 0.428 0.000 0.984 70 R HN 0.823 nan 8.270 nan 0.000 0.448 71 W N 1.972 123.493 121.300 0.369 0.000 2.338 71 W HA -0.176 4.484 4.660 -0.000 0.000 0.304 71 W C 0.800 177.493 176.519 0.290 0.000 1.212 71 W CA 1.738 59.254 57.345 0.285 0.000 1.264 71 W CB -0.063 29.498 29.460 0.169 0.000 1.142 71 W HN 0.620 nan 8.180 nan 0.000 0.512 72 S N -3.784 112.173 115.700 0.427 0.000 2.703 72 S HA 0.349 4.819 4.470 -0.000 0.000 0.273 72 S C -2.351 171.913 174.600 -0.559 0.000 1.178 72 S CA -0.786 57.360 58.200 -0.091 0.000 0.838 72 S CB 1.608 64.804 63.200 -0.007 0.000 1.178 72 S HN -0.260 nan 8.310 nan 0.000 0.494 73 P HA 0.141 nan 4.420 nan 0.000 0.226 73 P C 0.259 177.305 177.300 -0.422 0.000 1.153 73 P CA 0.868 63.316 63.100 -1.087 0.000 0.777 73 P CB -0.153 30.909 31.700 -1.063 0.000 0.794 74 N N -1.783 116.717 118.700 -0.334 0.000 2.214 74 N HA 0.074 4.814 4.740 -0.000 0.000 0.214 74 N C -0.240 174.962 175.510 -0.515 0.000 1.132 74 N CA 0.155 52.969 53.050 -0.393 0.000 0.856 74 N CB 0.033 38.238 38.487 -0.471 0.000 1.020 74 N HN 0.343 nan 8.380 nan 0.000 0.509 75 H N -1.583 117.482 119.070 -0.010 0.000 2.747 75 H HA 0.304 4.860 4.556 -0.000 0.000 0.371 75 H C -0.203 175.224 175.328 0.166 0.000 1.161 75 H CA -0.602 55.509 56.048 0.105 0.000 1.167 75 H CB 1.146 31.195 29.762 0.478 0.000 1.732 75 H HN -0.129 nan 8.280 nan 0.000 0.544 76 Y N -0.868 119.402 120.300 -0.049 0.000 2.449 76 Y HA 0.111 4.661 4.550 -0.000 0.000 0.254 76 Y C -0.063 175.625 175.900 -0.353 0.000 1.140 76 Y CA -1.183 56.610 58.100 -0.510 0.000 1.272 76 Y CB -0.358 37.312 38.460 -1.315 0.000 1.114 76 Y HN 0.534 nan 8.280 nan 0.000 0.525 77 W N 1.576 123.089 121.300 0.354 0.000 2.210 77 W HA 0.249 4.909 4.660 -0.000 0.000 0.330 77 W C -0.005 176.608 176.519 0.157 0.000 1.334 77 W CA -0.289 57.231 57.345 0.293 0.000 1.227 77 W CB 0.442 29.964 29.460 0.103 0.000 1.178 77 W HN -0.278 nan 8.180 nan 0.000 0.560 78 I N 3.023 123.817 120.570 0.373 0.000 2.331 78 I HA 0.209 4.379 4.170 -0.000 0.000 0.292 78 I C 0.321 176.542 176.117 0.173 0.000 0.998 78 I CA -0.384 61.089 61.300 0.287 0.000 1.267 78 I CB 0.882 39.063 38.000 0.301 0.000 1.386 78 I HN 0.268 nan 8.210 nan 0.000 0.476 79 T N 4.848 119.522 114.554 0.200 0.000 2.863 79 T HA 0.680 5.030 4.350 -0.000 0.000 0.285 79 T C -0.244 174.601 174.700 0.242 0.000 1.009 79 T CA -0.530 61.656 62.100 0.144 0.000 0.989 79 T CB 1.245 70.236 68.868 0.204 0.000 1.004 79 T HN 0.679 nan 8.240 nan 0.000 0.455 80 A N 3.325 126.294 122.820 0.249 0.000 3.016 80 A HA 0.571 4.891 4.320 -0.000 0.000 0.303 80 A C 0.769 178.516 177.584 0.271 0.000 1.507 80 A CA -0.411 51.801 52.037 0.291 0.000 1.196 80 A CB -0.413 18.801 19.000 0.357 0.000 1.169 80 A HN 0.747 nan 8.150 nan 0.000 0.544 81 S N 0.073 115.930 115.700 0.262 0.000 2.820 81 S HA 0.318 4.788 4.470 -0.000 0.000 0.265 81 S C 0.654 175.386 174.600 0.219 0.000 1.043 81 S CA 0.305 58.649 58.200 0.240 0.000 1.245 81 S CB 0.463 63.834 63.200 0.285 0.000 1.187 81 S HN 0.971 nan 8.310 nan 0.000 0.673 82 A N 2.131 125.099 122.820 0.247 0.000 2.409 82 A HA 0.452 4.772 4.320 -0.000 0.000 0.262 82 A C 0.960 178.693 177.584 0.249 0.000 1.113 82 A CA -0.382 51.792 52.037 0.227 0.000 0.790 82 A CB 0.170 19.304 19.000 0.223 0.000 1.046 82 A HN 0.253 nan 8.150 nan 0.000 0.496 83 N N 0.947 119.749 118.700 0.169 0.000 2.270 83 N HA -0.062 4.678 4.740 -0.000 0.000 0.181 83 N C 0.437 176.069 175.510 0.202 0.000 1.016 83 N CA 1.485 54.623 53.050 0.147 0.000 0.870 83 N CB 0.137 38.675 38.487 0.085 0.000 0.979 83 N HN 0.931 nan 8.380 nan 0.000 0.431 84 E N -0.026 120.254 120.200 0.134 0.000 2.413 84 E HA 0.395 4.745 4.350 -0.000 0.000 0.277 84 E C -3.079 173.321 176.600 -0.334 0.000 0.958 84 E CA -1.887 54.510 56.400 -0.005 0.000 0.779 84 E CB 2.421 32.100 29.700 -0.035 0.000 1.278 84 E HN -0.190 nan 8.360 nan 0.000 0.456 85 P HA 0.138 nan 4.420 nan 0.000 0.272 85 P C -0.929 176.147 177.300 -0.373 0.000 1.223 85 P CA 0.093 62.671 63.100 -0.871 0.000 0.784 85 P CB 0.746 31.611 31.700 -1.392 0.000 0.923 86 D N 1.187 121.469 120.400 -0.197 0.000 2.696 86 D HA 0.137 4.777 4.640 -0.000 0.000 0.251 86 D C -0.075 176.232 176.300 0.012 0.000 1.188 86 D CA -0.304 53.636 54.000 -0.100 0.000 0.876 86 D CB 1.275 41.990 40.800 -0.142 0.000 1.334 86 D HN 0.263 nan 8.370 nan 0.000 0.540 87 E N 1.829 122.057 120.200 0.046 0.000 2.501 87 E HA 0.031 4.381 4.350 -0.000 0.000 0.200 87 E C -0.019 176.640 176.600 0.099 0.000 1.016 87 E CA -0.276 56.199 56.400 0.125 0.000 0.921 87 E CB 0.377 30.200 29.700 0.205 0.000 1.034 87 E HN 0.184 nan 8.360 nan 0.000 0.468 88 N N 1.949 120.654 118.700 0.008 0.000 2.415 88 N HA 0.000 4.740 4.740 -0.000 0.000 0.250 88 N C 0.493 175.960 175.510 -0.071 0.000 1.127 88 N CA 0.180 53.223 53.050 -0.012 0.000 0.945 88 N CB 0.527 38.995 38.487 -0.033 0.000 1.196 88 N HN -0.058 nan 8.380 nan 0.000 0.499 89 K N 1.085 121.425 120.400 -0.101 0.000 2.281 89 K HA -0.072 4.248 4.320 -0.000 0.000 0.203 89 K C 1.033 177.562 176.600 -0.119 0.000 1.046 89 K CA 1.039 57.224 56.287 -0.169 0.000 0.938 89 K CB 0.160 32.514 32.500 -0.242 0.000 0.737 89 K HN 0.401 nan 8.250 nan 0.000 0.458 90 S N 0.674 116.330 115.700 -0.073 0.000 2.496 90 S HA -0.028 4.442 4.470 -0.000 0.000 0.224 90 S C 0.654 175.248 174.600 -0.010 0.000 0.996 90 S CA -0.069 58.108 58.200 -0.038 0.000 0.927 90 S CB -0.106 63.082 63.200 -0.020 0.000 0.774 90 S HN 0.289 nan 8.310 nan 0.000 0.524 91 N N 1.704 120.377 118.700 -0.045 0.000 2.488 91 N HA 0.020 4.760 4.740 -0.000 0.000 0.274 91 N C 0.886 176.358 175.510 -0.063 0.000 1.111 91 N CA -0.509 52.497 53.050 -0.074 0.000 0.974 91 N CB 0.449 38.832 38.487 -0.172 0.000 1.089 91 N HN 0.441 nan 8.380 nan 0.000 0.465 92 W N 2.982 124.293 121.300 0.018 0.000 2.468 92 W HA -0.005 4.655 4.660 -0.000 0.000 0.262 92 W C 0.273 176.840 176.519 0.081 0.000 1.241 92 W CA 0.611 57.981 57.345 0.041 0.000 1.232 92 W CB -0.665 28.821 29.460 0.042 0.000 1.124 92 W HN 0.537 nan 8.180 nan 0.000 0.597 93 A N 0.800 123.145 122.820 -0.792 0.000 2.379 93 A HA 0.172 4.492 4.320 -0.000 0.000 0.236 93 A C 0.730 178.132 177.584 -0.304 0.000 1.272 93 A CA 0.059 51.658 52.037 -0.729 0.000 0.886 93 A CB -1.148 17.157 19.000 -1.159 0.000 0.962 93 A HN 0.277 nan 8.150 nan 0.000 0.504 94 C N 1.701 120.871 119.300 -0.217 0.000 2.611 94 C HA 0.263 4.723 4.460 -0.000 0.000 0.416 94 C C 2.053 176.934 174.990 -0.181 0.000 1.366 94 C CA 1.098 60.004 59.018 -0.186 0.000 1.761 94 C CB -0.459 27.152 27.740 -0.216 0.000 2.619 94 C HN 0.653 nan 8.230 nan 0.000 0.606 95 T N 3.940 118.440 114.554 -0.091 0.000 3.086 95 T HA 0.207 4.557 4.350 -0.000 0.000 0.250 95 T C 0.398 175.067 174.700 -0.052 0.000 1.074 95 T CA -0.140 61.978 62.100 0.031 0.000 0.988 95 T CB -0.297 68.686 68.868 0.192 0.000 0.988 95 T HN 0.644 nan 8.240 nan 0.000 0.530 96 L N 1.738 122.788 121.223 -0.288 0.000 2.453 96 L HA 0.419 4.759 4.340 -0.000 0.000 0.272 96 L C -0.364 176.187 176.870 -0.532 0.000 1.182 96 L CA -0.244 54.372 54.840 -0.373 0.000 0.858 96 L CB 0.148 42.000 42.059 -0.345 0.000 1.120 96 L HN 0.141 nan 8.230 nan 0.000 0.474 97 F N 1.566 121.398 119.950 -0.196 0.000 2.620 97 F HA 0.518 5.045 4.527 -0.000 0.000 0.320 97 F C -0.050 175.688 175.800 -0.104 0.000 1.069 97 F CA -0.880 57.045 58.000 -0.126 0.000 0.953 97 F CB 1.930 40.909 39.000 -0.035 0.000 1.322 97 F HN 0.248 nan 8.300 nan 0.000 0.479 98 K N 3.901 124.378 120.400 0.128 0.000 2.579 98 K HA 0.429 4.749 4.320 -0.000 0.000 0.250 98 K C -3.004 173.629 176.600 0.055 0.000 0.952 98 K CA -2.014 54.302 56.287 0.048 0.000 0.857 98 K CB 1.624 34.112 32.500 -0.020 0.000 1.123 98 K HN 0.123 nan 8.250 nan 0.000 0.433 99 P HA 0.138 nan 4.420 nan 0.000 0.281 99 P C -0.976 176.183 177.300 -0.236 0.000 1.252 99 P CA -0.243 62.779 63.100 -0.130 0.000 0.778 99 P CB 0.842 32.439 31.700 -0.173 0.000 0.895 100 L N 4.577 125.652 121.223 -0.246 0.000 2.372 100 L HA 0.371 4.711 4.340 -0.000 0.000 0.273 100 L C -0.126 176.592 176.870 -0.254 0.000 0.989 100 L CA -1.080 53.667 54.840 -0.155 0.000 0.841 100 L CB 1.032 43.118 42.059 0.045 0.000 1.225 100 L HN 0.315 nan 8.230 nan 0.000 0.414 101 Y N 2.141 122.476 120.300 0.059 0.000 2.442 101 Y HA 0.044 4.594 4.550 -0.000 0.000 0.330 101 Y C 1.377 177.286 175.900 0.016 0.000 1.129 101 Y CA -0.278 57.848 58.100 0.042 0.000 1.365 101 Y CB 0.786 39.273 38.460 0.044 0.000 1.233 101 Y HN 0.336 nan 8.280 nan 0.000 0.529 102 V N 1.796 121.777 119.914 0.112 0.000 2.237 102 V HA -0.204 3.916 4.120 -0.000 0.000 0.245 102 V C 0.666 176.794 176.094 0.057 0.000 1.046 102 V CA 1.678 64.000 62.300 0.037 0.000 1.007 102 V CB -0.505 31.319 31.823 0.001 0.000 0.638 102 V HN 0.783 nan 8.190 nan 0.000 0.445 103 E N 0.907 121.157 120.200 0.083 0.000 2.158 103 E HA 0.375 4.725 4.350 -0.000 0.000 0.271 103 E C -0.532 176.107 176.600 0.065 0.000 0.911 103 E CA -0.580 55.854 56.400 0.057 0.000 0.767 103 E CB 1.621 31.344 29.700 0.038 0.000 1.120 103 E HN 0.445 nan 8.360 nan 0.000 0.405 104 E N 1.719 121.947 120.200 0.047 0.000 2.558 104 E HA 0.006 4.356 4.350 -0.000 0.000 0.255 104 E C 0.773 177.373 176.600 -0.001 0.000 0.968 104 E CA 1.507 57.926 56.400 0.032 0.000 0.939 104 E CB 0.042 29.756 29.700 0.024 0.000 0.921 104 E HN 0.886 nan 8.360 nan 0.000 0.477 105 G N 4.149 112.926 108.800 -0.039 0.000 2.358 105 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.224 105 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.224 105 G C 0.310 175.152 174.900 -0.097 0.000 1.073 105 G CA 0.106 45.165 45.100 -0.069 0.000 0.635 105 G HN 0.629 nan 8.290 nan 0.000 0.509 106 N N 1.511 120.180 118.700 -0.052 0.000 2.405 106 N HA 0.431 5.171 4.740 -0.000 0.000 0.260 106 N C 1.549 177.031 175.510 -0.046 0.000 1.152 106 N CA -0.246 52.790 53.050 -0.024 0.000 0.948 106 N CB 0.390 38.898 38.487 0.036 0.000 1.111 106 N HN 0.186 nan 8.380 nan 0.000 0.485 107 M N 2.389 121.930 119.600 -0.097 0.000 2.502 107 M HA 0.102 4.582 4.480 -0.000 0.000 0.243 107 M C 0.621 177.048 176.300 0.211 0.000 1.130 107 M CA 0.456 55.688 55.300 -0.114 0.000 1.055 107 M CB -0.261 32.246 32.600 -0.155 0.000 1.457 107 M HN 0.373 nan 8.290 nan 0.000 0.488 108 K N 0.731 121.232 120.400 0.168 0.000 2.374 108 K HA 0.225 4.545 4.320 -0.000 0.000 0.196 108 K C 0.172 176.931 176.600 0.266 0.000 1.023 108 K CA 0.159 56.562 56.287 0.194 0.000 1.103 108 K CB 0.740 33.301 32.500 0.101 0.000 0.848 108 K HN 0.243 nan 8.250 nan 0.000 0.528 109 K N 1.336 121.907 120.400 0.285 0.000 2.579 109 K HA 0.254 4.574 4.320 -0.000 0.000 0.250 109 K C -0.990 175.734 176.600 0.207 0.000 0.952 109 K CA -0.425 56.013 56.287 0.251 0.000 0.857 109 K CB 1.652 34.272 32.500 0.200 0.000 1.123 109 K HN -0.126 nan 8.250 nan 0.000 0.433 110 V N 0.076 120.051 119.914 0.102 0.000 3.160 110 V HA 0.672 4.792 4.120 -0.000 0.000 0.310 110 V C -1.172 174.879 176.094 -0.071 0.000 1.181 110 V CA -1.168 61.108 62.300 -0.041 0.000 1.047 110 V CB 2.195 33.937 31.823 -0.135 0.000 1.068 110 V HN 0.667 nan 8.190 nan 0.000 0.441 111 R N 1.334 121.779 120.500 -0.092 0.000 2.599 111 R HA 0.712 5.052 4.340 -0.000 0.000 0.295 111 R C -1.468 174.905 176.300 0.121 0.000 0.963 111 R CA -0.779 55.282 56.100 -0.065 0.000 0.883 111 R CB 2.224 32.444 30.300 -0.134 0.000 1.171 111 R HN 0.745 nan 8.270 nan 0.000 0.450 112 L N 4.329 125.722 121.223 0.284 0.000 2.280 112 L HA 0.402 4.742 4.340 -0.000 0.000 0.287 112 L C -0.649 176.445 176.870 0.373 0.000 1.023 112 L CA -0.820 54.206 54.840 0.310 0.000 0.819 112 L CB 1.398 43.636 42.059 0.298 0.000 1.212 112 L HN 0.337 nan 8.230 nan 0.000 0.420 113 L N 4.139 125.527 121.223 0.275 0.000 2.264 113 L HA 0.296 4.636 4.340 -0.000 0.000 0.289 113 L C 0.241 177.161 176.870 0.083 0.000 1.044 113 L CA -0.143 54.761 54.840 0.107 0.000 0.807 113 L CB 0.677 42.686 42.059 -0.084 0.000 1.192 113 L HN 0.467 nan 8.230 nan 0.000 0.425 114 H N 4.881 123.883 119.070 -0.112 0.000 2.944 114 H HA 0.071 4.627 4.556 -0.000 0.000 0.278 114 H C 0.783 175.867 175.328 -0.407 0.000 1.083 114 H CA 0.077 55.846 56.048 -0.466 0.000 1.479 114 H CB 1.331 30.859 29.762 -0.390 0.000 1.486 114 H HN 0.677 nan 8.280 nan 0.000 0.493 115 V N 5.007 124.511 119.914 -0.684 0.000 2.233 115 V HA -0.307 3.813 4.120 -0.000 0.000 0.247 115 V C 2.805 178.667 176.094 -0.387 0.000 1.050 115 V CA 2.168 64.186 62.300 -0.471 0.000 1.010 115 V CB -0.512 31.044 31.823 -0.446 0.000 0.637 115 V HN 0.760 nan 8.190 nan 0.000 0.444 116 Q N -0.715 118.807 119.800 -0.464 0.000 2.077 116 Q HA -0.243 4.097 4.340 -0.000 0.000 0.206 116 Q C 2.170 178.095 176.000 -0.125 0.000 0.989 116 Q CA 2.001 57.669 55.803 -0.223 0.000 0.853 116 Q CB -0.298 28.362 28.738 -0.131 0.000 0.907 116 Q HN 0.483 nan 8.270 nan 0.000 0.418 117 L N -0.607 120.599 121.223 -0.028 0.000 2.179 117 L HA 0.105 4.445 4.340 -0.000 0.000 0.208 117 L C 1.559 178.230 176.870 -0.332 0.000 1.096 117 L CA 1.835 56.465 54.840 -0.350 0.000 0.779 117 L CB -0.750 40.879 42.059 -0.717 0.000 0.922 117 L HN 0.520 nan 8.230 nan 0.000 0.443 118 G N -0.955 107.720 108.800 -0.209 0.000 2.147 118 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.244 118 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.244 118 G C 0.349 175.171 174.900 -0.130 0.000 1.005 118 G CA 0.321 45.314 45.100 -0.178 0.000 0.713 118 G HN 0.517 nan 8.290 nan 0.000 0.515 119 H N -1.328 117.542 119.070 -0.335 0.000 2.479 119 H HA 0.520 5.076 4.556 0.000 0.000 0.335 119 H C -0.227 174.917 175.328 -0.307 0.000 1.142 119 H CA -0.937 54.892 56.048 -0.365 0.000 1.234 119 H CB 1.011 30.504 29.762 -0.448 0.000 1.503 119 H HN 0.176 nan 8.280 nan 0.000 0.510 120 Y N 1.026 121.339 120.300 0.022 0.000 2.301 120 Y HA 0.069 4.619 4.550 0.000 0.000 0.328 120 Y C 1.081 177.023 175.900 0.069 0.000 1.242 120 Y CA -0.554 57.569 58.100 0.038 0.000 1.323 120 Y CB 0.998 39.445 38.460 -0.021 0.000 1.266 120 Y HN 0.554 nan 8.280 nan 0.000 0.527 121 T N 0.239 115.000 114.554 0.344 0.000 2.907 121 T HA 0.643 4.993 4.350 -0.000 0.000 0.284 121 T C -0.576 174.359 174.700 0.390 0.000 1.004 121 T CA -0.979 61.334 62.100 0.355 0.000 1.063 121 T CB 1.334 70.467 68.868 0.443 0.000 0.992 121 T HN 0.614 nan 8.240 nan 0.000 0.483 122 Q N 0.976 121.027 119.800 0.418 0.000 2.484 122 Q HA 0.339 4.679 4.340 -0.000 0.000 0.285 122 Q C -0.695 175.603 176.000 0.496 0.000 1.097 122 Q CA -0.888 55.137 55.803 0.370 0.000 0.802 122 Q CB 2.256 31.187 28.738 0.322 0.000 1.444 122 Q HN 0.853 nan 8.270 nan 0.000 0.429 123 N N 1.294 120.162 118.700 0.281 0.000 2.508 123 N HA 0.089 4.829 4.740 -0.000 0.000 0.253 123 N C -1.548 174.099 175.510 0.229 0.000 1.145 123 N CA 0.053 53.219 53.050 0.194 0.000 0.973 123 N CB 0.356 38.572 38.487 -0.451 0.000 1.305 123 N HN 0.445 nan 8.380 nan 0.000 0.506 124 Y N 2.458 122.925 120.300 0.278 0.000 2.361 124 Y HA 0.298 4.848 4.550 0.000 0.000 0.332 124 Y C -0.372 175.692 175.900 0.273 0.000 1.101 124 Y CA -0.218 58.010 58.100 0.213 0.000 1.137 124 Y CB 1.675 40.237 38.460 0.169 0.000 1.207 124 Y HN 0.244 nan 8.280 nan 0.000 0.463 125 T N 5.560 119.969 114.554 -0.241 0.000 2.812 125 T HA 0.386 4.736 4.350 -0.000 0.000 0.282 125 T C 0.156 174.758 174.700 -0.162 0.000 0.990 125 T CA -0.550 61.533 62.100 -0.029 0.000 0.960 125 T CB 1.575 70.406 68.868 -0.063 0.000 0.948 125 T HN 0.540 nan 8.240 nan 0.000 0.438 126 V N 1.795 121.821 119.914 0.188 0.000 2.695 126 V HA 0.672 4.792 4.120 -0.000 0.000 0.230 126 V C 1.079 177.250 176.094 0.128 0.000 1.110 126 V CA 0.594 62.994 62.300 0.167 0.000 1.159 126 V CB 0.063 32.068 31.823 0.302 0.000 0.875 126 V HN 1.005 nan 8.190 nan 0.000 0.502 127 G N -2.135 106.788 108.800 0.204 0.000 2.716 127 G HA2 0.521 4.481 3.960 -0.000 0.000 0.299 127 G HA3 0.521 4.481 3.960 -0.000 0.000 0.299 127 G C 0.375 175.370 174.900 0.159 0.000 1.450 127 G CA 0.274 45.460 45.100 0.142 0.000 0.968 127 G HN 0.972 nan 8.290 nan 0.000 0.566 128 G N 1.472 110.333 108.800 0.102 0.000 5.218 128 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.342 128 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.342 128 G C 1.987 176.922 174.900 0.057 0.000 1.391 128 G CA 2.022 47.166 45.100 0.074 0.000 1.096 128 G HN 2.085 nan 8.290 nan 0.000 0.831 129 S N -0.157 115.564 115.700 0.036 0.000 2.475 129 S HA 0.399 4.869 4.470 -0.000 0.000 0.224 129 S C 1.062 175.562 174.600 -0.167 0.000 1.042 129 S CA 0.568 58.705 58.200 -0.104 0.000 0.935 129 S CB 0.129 63.184 63.200 -0.242 0.000 0.801 129 S HN 0.366 nan 8.310 nan 0.000 0.509 130 F N 4.229 124.164 119.950 -0.025 0.000 2.626 130 F HA 0.372 4.899 4.527 -0.000 0.000 0.353 130 F C 0.183 176.112 175.800 0.215 0.000 1.230 130 F CA -0.856 57.112 58.000 -0.054 0.000 1.298 130 F CB 0.175 39.050 39.000 -0.208 0.000 1.670 130 F HN 0.010 nan 8.300 nan 0.000 0.633 131 V N -1.405 118.740 119.914 0.386 0.000 2.370 131 V HA 0.526 4.646 4.120 -0.000 0.000 0.283 131 V C 0.550 176.723 176.094 0.133 0.000 1.023 131 V CA -1.064 61.374 62.300 0.229 0.000 0.857 131 V CB 1.151 33.044 31.823 0.116 0.000 0.985 131 V HN 0.505 nan 8.190 nan 0.000 0.443 132 S N 2.629 118.424 115.700 0.158 0.000 3.682 132 S HA -0.174 4.296 4.470 -0.000 0.000 0.354 132 S C -0.288 174.387 174.600 0.125 0.000 1.034 132 S CA 0.921 59.195 58.200 0.123 0.000 1.084 132 S CB -1.889 61.362 63.200 0.084 0.000 0.903 132 S HN 0.930 nan 8.310 nan 0.000 0.470 133 Y N -0.344 120.208 120.300 0.419 0.000 2.387 133 Y HA 0.594 5.144 4.550 -0.000 0.000 0.330 133 Y C 0.372 176.646 175.900 0.624 0.000 1.133 133 Y CA -1.139 57.221 58.100 0.434 0.000 1.152 133 Y CB 0.628 39.269 38.460 0.300 0.000 1.215 133 Y HN 0.283 nan 8.280 nan 0.000 0.466 134 L N 4.017 125.600 121.223 0.601 0.000 2.477 134 L HA 0.175 4.515 4.340 -0.000 0.000 0.272 134 L C -1.258 175.996 176.870 0.639 0.000 1.157 134 L CA 0.354 55.509 54.840 0.525 0.000 0.889 134 L CB -0.699 41.495 42.059 0.226 0.000 1.158 134 L HN 0.508 nan 8.230 nan 0.000 0.473 135 F N 4.739 124.869 119.950 0.299 0.000 2.573 135 F HA 0.614 5.141 4.527 -0.000 0.000 0.316 135 F C -0.077 175.704 175.800 -0.031 0.000 1.148 135 F CA -0.943 57.048 58.000 -0.015 0.000 0.940 135 F CB 1.423 40.158 39.000 -0.441 0.000 1.214 135 F HN 0.539 nan 8.300 nan 0.000 0.448 136 A N 5.978 128.486 122.820 -0.520 0.000 2.990 136 A HA 0.183 4.503 4.320 -0.000 0.000 0.282 136 A C 1.378 178.574 177.584 -0.647 0.000 1.688 136 A CA 0.000 51.786 52.037 -0.419 0.000 1.391 136 A CB -0.554 18.184 19.000 -0.437 0.000 1.112 136 A HN 0.953 nan 8.150 nan 0.000 0.588 137 E N 1.415 121.362 120.200 -0.422 0.000 2.013 137 E HA -0.138 4.212 4.350 -0.000 0.000 0.202 137 E C 0.909 177.236 176.600 -0.455 0.000 1.018 137 E CA 1.831 58.061 56.400 -0.284 0.000 0.834 137 E CB 0.099 29.797 29.700 -0.004 0.000 0.770 137 E HN 0.824 nan 8.360 nan 0.000 0.459 138 S N -2.175 113.185 115.700 -0.567 0.000 2.724 138 S HA 0.150 4.620 4.470 -0.000 0.000 0.278 138 S C 0.459 174.719 174.600 -0.567 0.000 1.190 138 S CA -0.070 57.507 58.200 -1.039 0.000 0.860 138 S CB 0.944 63.870 63.200 -0.457 0.000 1.206 138 S HN 0.146 nan 8.310 nan 0.000 0.507 139 S N -0.742 114.724 115.700 -0.391 0.000 2.593 139 S HA 0.226 4.696 4.470 -0.000 0.000 0.217 139 S C 0.185 174.819 174.600 0.057 0.000 0.966 139 S CA -0.007 58.100 58.200 -0.154 0.000 0.914 139 S CB -0.517 62.622 63.200 -0.102 0.000 0.776 139 S HN 0.609 nan 8.310 nan 0.000 0.523 140 Q N 1.277 121.105 119.800 0.047 0.000 2.243 140 Q HA 0.557 4.897 4.340 -0.000 0.000 0.252 140 Q C -0.396 175.667 176.000 0.105 0.000 0.909 140 Q CA -0.292 55.559 55.803 0.080 0.000 0.922 140 Q CB 1.328 30.070 28.738 0.006 0.000 1.215 140 Q HN 0.449 nan 8.270 nan 0.000 0.427 141 I N 1.385 121.949 120.570 -0.011 0.000 2.648 141 I HA -0.007 4.163 4.170 -0.000 0.000 0.284 141 I C 0.428 176.464 176.117 -0.136 0.000 1.153 141 I CA -0.288 60.869 61.300 -0.238 0.000 1.426 141 I CB 0.405 38.235 38.000 -0.283 0.000 1.381 141 I HN 0.564 nan 8.210 nan 0.000 0.571 142 D N 3.947 124.255 120.400 -0.152 0.000 2.372 142 D HA 0.047 4.687 4.640 -0.000 0.000 0.243 142 D C 0.946 177.189 176.300 -0.095 0.000 1.121 142 D CA 0.069 54.016 54.000 -0.088 0.000 0.898 142 D CB 1.248 42.003 40.800 -0.076 0.000 1.202 142 D HN 0.532 nan 8.370 nan 0.000 0.428 143 T N 1.845 116.362 114.554 -0.062 0.000 2.942 143 T HA 0.070 4.420 4.350 -0.000 0.000 0.265 143 T C 1.599 176.259 174.700 -0.068 0.000 1.062 143 T CA 0.872 62.936 62.100 -0.060 0.000 1.139 143 T CB -0.059 68.785 68.868 -0.040 0.000 0.883 143 T HN 0.554 nan 8.240 nan 0.000 0.468 144 G N 0.258 109.016 108.800 -0.070 0.000 3.088 144 G HA2 0.232 4.192 3.960 -0.000 0.000 0.212 144 G HA3 0.232 4.192 3.960 -0.000 0.000 0.212 144 G C 0.636 175.471 174.900 -0.107 0.000 1.173 144 G CA 0.282 45.335 45.100 -0.079 0.000 0.779 144 G HN 0.322 nan 8.290 nan 0.000 0.540 145 S N -0.982 114.640 115.700 -0.131 0.000 3.380 145 S HA -0.175 4.295 4.470 -0.000 0.000 0.300 145 S C 1.616 176.075 174.600 -0.235 0.000 1.255 145 S CA 1.226 59.318 58.200 -0.181 0.000 0.963 145 S CB -1.014 62.093 63.200 -0.155 0.000 1.106 145 S HN 0.691 nan 8.310 nan 0.000 0.629 146 K N 0.780 121.061 120.400 -0.198 0.000 2.555 146 K HA -0.083 4.237 4.320 -0.000 0.000 0.193 146 K C 1.173 177.600 176.600 -0.288 0.000 1.032 146 K CA 1.222 57.380 56.287 -0.214 0.000 1.004 146 K CB -0.114 32.318 32.500 -0.113 0.000 0.804 146 K HN 0.672 nan 8.250 nan 0.000 0.496 147 D N -0.398 119.778 120.400 -0.372 0.000 2.398 147 D HA -0.005 4.635 4.640 -0.000 0.000 0.210 147 D C 0.209 175.941 176.300 -0.947 0.000 1.094 147 D CA -0.124 53.553 54.000 -0.539 0.000 0.839 147 D CB 0.126 40.744 40.800 -0.303 0.000 0.963 147 D HN -0.216 nan 8.370 nan 0.000 0.506 148 V N 1.386 120.812 119.914 -0.812 0.000 2.407 148 V HA 0.379 4.499 4.120 -0.000 0.000 0.278 148 V C -0.595 175.017 176.094 -0.804 0.000 1.037 148 V CA -0.521 61.364 62.300 -0.692 0.000 0.900 148 V CB 0.622 32.208 31.823 -0.395 0.000 0.983 148 V HN -0.092 nan 8.190 nan 0.000 0.459 149 F N 2.490 122.312 119.950 -0.213 0.000 2.579 149 F HA 0.599 5.126 4.527 0.000 0.000 0.324 149 F C 0.184 175.859 175.800 -0.208 0.000 1.058 149 F CA -0.995 56.866 58.000 -0.231 0.000 0.944 149 F CB 1.342 40.316 39.000 -0.043 0.000 1.245 149 F HN 0.400 nan 8.300 nan 0.000 0.477 150 H N 1.320 120.535 119.070 0.241 0.000 2.556 150 H HA 0.461 5.017 4.556 -0.000 0.000 0.310 150 H C -0.613 174.834 175.328 0.199 0.000 1.057 150 H CA -0.648 55.498 56.048 0.163 0.000 1.264 150 H CB 1.418 31.239 29.762 0.099 0.000 1.404 150 H HN 0.242 nan 8.280 nan 0.000 0.462 151 V N 5.915 126.014 119.914 0.308 0.000 2.583 151 V HA 0.221 4.341 4.120 -0.000 0.000 0.287 151 V C 0.755 176.994 176.094 0.243 0.000 1.051 151 V CA -0.240 62.215 62.300 0.258 0.000 1.010 151 V CB 0.772 32.739 31.823 0.240 0.000 0.988 151 V HN 0.578 nan 8.190 nan 0.000 0.478 152 I N 3.217 123.947 120.570 0.267 0.000 2.499 152 I HA 0.333 4.503 4.170 -0.000 0.000 0.288 152 I C -0.709 175.579 176.117 0.285 0.000 1.048 152 I CA -0.595 60.872 61.300 0.278 0.000 1.062 152 I CB 2.169 40.401 38.000 0.387 0.000 1.238 152 I HN 0.507 nan 8.210 nan 0.000 0.426 153 D N 5.715 126.265 120.400 0.249 0.000 2.325 153 D HA -0.024 4.616 4.640 -0.000 0.000 0.251 153 D C 0.683 177.157 176.300 0.290 0.000 1.196 153 D CA -0.036 54.108 54.000 0.241 0.000 0.866 153 D CB 1.076 41.975 40.800 0.164 0.000 1.101 153 D HN 0.610 nan 8.370 nan 0.000 0.476 154 W N 5.083 126.432 121.300 0.081 0.000 2.363 154 W HA -0.187 4.473 4.660 -0.000 0.000 0.296 154 W C 1.662 178.181 176.519 -0.001 0.000 1.212 154 W CA 0.606 57.963 57.345 0.019 0.000 1.260 154 W CB 0.232 29.718 29.460 0.043 0.000 1.131 154 W HN 0.464 nan 8.180 nan 0.000 0.530 155 K N 0.837 121.258 120.400 0.035 0.000 2.032 155 K HA -0.246 4.074 4.320 -0.000 0.000 0.209 155 K C 2.237 178.754 176.600 -0.138 0.000 1.048 155 K CA 2.336 58.589 56.287 -0.057 0.000 0.927 155 K CB -0.570 31.961 32.500 0.050 0.000 0.712 155 K HN 0.166 nan 8.250 nan 0.000 0.441 156 S N 0.654 116.314 115.700 -0.067 0.000 2.469 156 S HA -0.166 4.304 4.470 -0.000 0.000 0.238 156 S C 1.887 176.378 174.600 -0.181 0.000 0.998 156 S CA 1.036 59.205 58.200 -0.052 0.000 0.957 156 S CB -0.365 62.889 63.200 0.089 0.000 0.764 156 S HN 0.390 nan 8.310 nan 0.000 0.514 157 I N 0.468 120.743 120.570 -0.493 0.000 2.361 157 I HA 0.069 4.239 4.170 -0.000 0.000 0.251 157 I C 0.654 176.190 176.117 -0.968 0.000 1.133 157 I CA 1.055 61.762 61.300 -0.988 0.000 1.413 157 I CB -0.278 36.845 38.000 -1.461 0.000 1.073 157 I HN 0.271 nan 8.210 nan 0.000 0.424 158 F N 1.084 120.696 119.950 -0.563 0.000 2.668 158 F HA 0.362 4.889 4.527 0.000 0.000 0.297 158 F C 0.640 176.021 175.800 -0.698 0.000 1.124 158 F CA -0.300 57.356 58.000 -0.573 0.000 1.353 158 F CB -0.584 38.152 39.000 -0.440 0.000 0.992 158 F HN 0.057 nan 8.300 nan 0.000 0.524 159 Q N -0.234 119.209 119.800 -0.595 0.000 2.387 159 Q HA 0.578 4.918 4.340 -0.000 0.000 0.273 159 Q C -1.282 174.290 176.000 -0.714 0.000 1.089 159 Q CA -0.759 54.726 55.803 -0.530 0.000 0.824 159 Q CB 2.675 31.289 28.738 -0.206 0.000 1.367 159 Q HN 0.017 nan 8.270 nan 0.000 0.443 160 F N 0.950 120.912 119.950 0.020 0.000 2.579 160 F HA 0.457 4.984 4.527 -0.000 0.000 0.324 160 F C -1.921 173.867 175.800 -0.020 0.000 1.058 160 F CA -2.527 55.478 58.000 0.009 0.000 0.944 160 F CB 0.722 39.730 39.000 0.014 0.000 1.245 160 F HN 0.319 nan 8.300 nan 0.000 0.477 161 P HA 0.125 nan 4.420 nan 0.000 0.280 161 P C -0.962 176.330 177.300 -0.013 0.000 1.300 161 P CA -0.370 62.755 63.100 0.041 0.000 0.785 161 P CB 0.902 32.612 31.700 0.017 0.000 0.874 162 K N 2.521 122.889 120.400 -0.054 0.000 2.258 162 K HA 0.548 4.868 4.320 -0.000 0.000 0.284 162 K C 0.141 176.646 176.600 -0.159 0.000 1.051 162 K CA -0.042 56.160 56.287 -0.141 0.000 0.923 162 K CB 0.372 32.761 32.500 -0.186 0.000 1.046 162 K HN 0.809 nan 8.250 nan 0.000 0.474 163 G N 2.508 111.192 108.800 -0.193 0.000 2.361 163 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.305 163 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.305 163 G C -1.870 172.928 174.900 -0.170 0.000 1.367 163 G CA -1.057 43.875 45.100 -0.281 0.000 0.951 163 G HN 0.342 nan 8.290 nan 0.000 0.615 164 Y N -0.111 120.130 120.300 -0.098 0.000 2.620 164 Y HA 0.416 4.966 4.550 -0.000 0.000 0.330 164 Y C 1.329 177.155 175.900 -0.124 0.000 1.186 164 Y CA -0.354 57.684 58.100 -0.103 0.000 1.467 164 Y CB 0.288 38.691 38.460 -0.095 0.000 1.262 164 Y HN 0.899 nan 8.280 nan 0.000 0.550 165 V N -0.223 119.703 119.914 0.021 0.000 3.130 165 V HA 0.919 5.039 4.120 -0.000 0.000 0.310 165 V C -0.413 175.577 176.094 -0.172 0.000 1.158 165 V CA -0.703 61.514 62.300 -0.138 0.000 1.029 165 V CB 2.034 33.697 31.823 -0.266 0.000 1.057 165 V HN 0.729 nan 8.190 nan 0.000 0.436 166 T N 0.362 114.747 114.554 -0.281 0.000 2.804 166 T HA 0.829 5.179 4.350 -0.000 0.000 0.290 166 T C -1.923 172.529 174.700 -0.413 0.000 1.099 166 T CA -0.402 61.613 62.100 -0.142 0.000 1.011 166 T CB 1.605 70.443 68.868 -0.049 0.000 1.291 166 T HN 0.607 nan 8.240 nan 0.000 0.523 167 F N 1.502 121.618 119.950 0.276 0.000 2.540 167 F HA 0.597 5.124 4.527 -0.000 0.000 0.317 167 F C 0.159 176.264 175.800 0.507 0.000 1.104 167 F CA -0.931 57.264 58.000 0.324 0.000 0.913 167 F CB 1.926 41.097 39.000 0.285 0.000 1.170 167 F HN 0.308 nan 8.300 nan 0.000 0.450 168 K N 1.855 122.611 120.400 0.593 0.000 2.265 168 K HA 0.667 4.987 4.320 -0.000 0.000 0.267 168 K C 0.101 176.879 176.600 0.298 0.000 0.994 168 K CA -0.426 56.136 56.287 0.460 0.000 0.860 168 K CB 1.197 33.885 32.500 0.314 0.000 1.099 168 K HN 0.868 nan 8.250 nan 0.000 0.448 169 G N 1.651 110.508 108.800 0.095 0.000 2.547 169 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.291 169 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.291 169 G C 0.540 175.250 174.900 -0.316 0.000 1.211 169 G CA -0.647 44.110 45.100 -0.571 0.000 0.950 169 G HN 0.863 nan 8.290 nan 0.000 0.504 170 N N -0.186 118.320 118.700 -0.324 0.000 2.575 170 N HA -0.100 4.640 4.740 -0.000 0.000 0.192 170 N C 0.742 176.163 175.510 -0.149 0.000 1.200 170 N CA 0.682 53.625 53.050 -0.179 0.000 0.897 170 N CB -0.126 38.275 38.487 -0.143 0.000 0.990 170 N HN 0.509 nan 8.380 nan 0.000 0.449 171 N N -1.034 117.561 118.700 -0.175 0.000 2.205 171 N HA 0.135 4.875 4.740 -0.000 0.000 0.201 171 N C 1.120 176.576 175.510 -0.090 0.000 1.128 171 N CA 0.515 53.502 53.050 -0.106 0.000 0.867 171 N CB -0.064 38.374 38.487 -0.082 0.000 0.996 171 N HN 0.237 nan 8.380 nan 0.000 0.503 172 G N -0.010 108.722 108.800 -0.114 0.000 2.175 172 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.244 172 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.244 172 G C -0.130 174.644 174.900 -0.211 0.000 0.982 172 G CA 0.176 45.196 45.100 -0.133 0.000 0.641 172 G HN 0.353 nan 8.290 nan 0.000 0.527 173 K N -0.351 119.978 120.400 -0.118 0.000 2.132 173 K HA 0.680 5.000 4.320 -0.000 0.000 0.241 173 K C -0.389 176.222 176.600 0.018 0.000 1.000 173 K CA -0.674 55.568 56.287 -0.075 0.000 0.911 173 K CB 0.663 33.236 32.500 0.121 0.000 1.093 173 K HN 0.139 nan 8.250 nan 0.000 0.460 174 Y N 0.063 120.571 120.300 0.347 0.000 2.419 174 Y HA 0.299 4.849 4.550 -0.000 0.000 0.328 174 Y C 0.202 176.288 175.900 0.310 0.000 1.162 174 Y CA -1.142 57.160 58.100 0.337 0.000 1.174 174 Y CB 0.879 39.471 38.460 0.221 0.000 1.228 174 Y HN 0.290 nan 8.280 nan 0.000 0.473 175 L N 2.749 124.177 121.223 0.342 0.000 2.325 175 L HA 0.627 4.967 4.340 -0.000 0.000 0.284 175 L C 0.177 177.096 176.870 0.082 0.000 1.089 175 L CA 0.401 55.215 54.840 -0.042 0.000 0.836 175 L CB -0.435 41.441 42.059 -0.305 0.000 1.184 175 L HN 0.711 nan 8.230 nan 0.000 0.444 176 G N 3.887 112.661 108.800 -0.043 0.000 2.574 176 G HA2 0.562 4.522 3.960 -0.000 0.000 0.299 176 G HA3 0.562 4.522 3.960 -0.000 0.000 0.299 176 G C -1.211 173.631 174.900 -0.097 0.000 1.298 176 G CA -0.729 44.139 45.100 -0.387 0.000 0.952 176 G HN 0.399 nan 8.290 nan 0.000 0.477 177 V N 1.102 120.940 119.914 -0.127 0.000 2.843 177 V HA 0.392 4.512 4.120 -0.000 0.000 0.305 177 V C 0.397 176.525 176.094 0.056 0.000 1.065 177 V CA 0.171 62.468 62.300 -0.005 0.000 1.116 177 V CB 1.099 32.958 31.823 0.060 0.000 0.968 177 V HN 0.661 nan 8.190 nan 0.000 0.487 178 I N 2.513 123.111 120.570 0.047 0.000 2.710 178 I HA 0.315 4.485 4.170 -0.000 0.000 0.290 178 I C -0.365 175.741 176.117 -0.017 0.000 1.318 178 I CA -0.095 61.225 61.300 0.033 0.000 1.045 178 I CB 2.225 40.236 38.000 0.018 0.000 1.307 178 I HN 0.614 nan 8.210 nan 0.000 0.424 179 T N 8.113 122.656 114.554 -0.017 0.000 2.780 179 T HA 0.580 4.930 4.350 -0.000 0.000 0.294 179 T C -0.281 174.352 174.700 -0.111 0.000 0.949 179 T CA 0.072 62.149 62.100 -0.039 0.000 1.074 179 T CB 0.298 69.161 68.868 -0.007 0.000 0.910 179 T HN 0.301 nan 8.240 nan 0.000 0.501 180 I N 3.825 124.294 120.570 -0.168 0.000 2.512 180 I HA 0.282 4.452 4.170 -0.000 0.000 0.287 180 I C -0.385 175.575 176.117 -0.262 0.000 1.069 180 I CA -1.003 60.105 61.300 -0.319 0.000 1.056 180 I CB 1.745 39.371 38.000 -0.623 0.000 1.229 180 I HN 0.508 nan 8.210 nan 0.000 0.429 181 N N 5.743 124.324 118.700 -0.199 0.000 2.725 181 N HA -0.203 4.537 4.740 -0.000 0.000 0.251 181 N C 0.250 175.758 175.510 -0.004 0.000 1.031 181 N CA 0.758 53.763 53.050 -0.076 0.000 0.720 181 N CB -0.722 37.758 38.487 -0.012 0.000 0.930 181 N HN 0.706 nan 8.380 nan 0.000 0.543 182 Q N -3.594 116.194 119.800 -0.021 0.000 2.406 182 Q HA -0.211 4.129 4.340 -0.000 0.000 0.236 182 Q C -0.291 175.724 176.000 0.025 0.000 0.799 182 Q CA 1.126 56.932 55.803 0.006 0.000 1.286 182 Q CB -1.498 27.250 28.738 0.018 0.000 1.615 182 Q HN 0.688 nan 8.270 nan 0.000 0.621 183 L N 2.363 123.601 121.223 0.025 0.000 2.295 183 L HA 0.369 4.709 4.340 -0.000 0.000 0.285 183 L C -1.829 175.056 176.870 0.025 0.000 1.035 183 L CA -1.831 53.040 54.840 0.053 0.000 0.806 183 L CB 1.363 43.487 42.059 0.108 0.000 1.214 183 L HN -0.239 nan 8.230 nan 0.000 0.426 184 P HA 0.138 nan 4.420 nan 0.000 0.256 184 P C -0.459 176.856 177.300 0.026 0.000 1.689 184 P CA -0.307 62.816 63.100 0.039 0.000 1.124 184 P CB 0.186 31.922 31.700 0.060 0.000 1.766 185 C N 3.320 122.615 119.300 -0.010 0.000 2.403 185 C HA 0.459 4.919 4.460 -0.000 0.000 0.361 185 C C 0.834 175.785 174.990 -0.065 0.000 1.274 185 C CA -0.467 58.530 59.018 -0.035 0.000 2.433 185 C CB 0.252 27.940 27.740 -0.087 0.000 2.323 185 C HN 0.411 nan 8.230 nan 0.000 0.614 186 L N 1.775 122.929 121.223 -0.115 0.000 2.325 186 L HA 0.523 4.863 4.340 -0.000 0.000 0.281 186 L C -0.202 176.579 176.870 -0.147 0.000 1.004 186 L CA 0.120 54.834 54.840 -0.210 0.000 0.823 186 L CB 0.972 42.727 42.059 -0.506 0.000 1.236 186 L HN 0.691 nan 8.230 nan 0.000 0.415 187 Q N 2.212 121.967 119.800 -0.076 0.000 2.375 187 Q HA 0.432 4.772 4.340 -0.000 0.000 0.271 187 Q C -1.399 174.628 176.000 0.044 0.000 1.074 187 Q CA -0.760 55.049 55.803 0.011 0.000 0.808 187 Q CB 2.136 30.911 28.738 0.061 0.000 1.327 187 Q HN 0.456 nan 8.270 nan 0.000 0.441 188 F N 2.310 122.347 119.950 0.145 0.000 2.573 188 F HA 0.346 4.873 4.527 -0.000 0.000 0.349 188 F C 1.009 176.872 175.800 0.105 0.000 1.213 188 F CA 0.071 58.163 58.000 0.155 0.000 1.300 188 F CB 1.001 40.067 39.000 0.110 0.000 1.661 188 F HN 0.734 nan 8.300 nan 0.000 0.616 189 G N 0.409 109.361 108.800 0.253 0.000 3.815 189 G HA2 0.082 4.042 3.960 -0.000 0.000 0.265 189 G HA3 0.082 4.042 3.960 -0.000 0.000 0.265 189 G C -0.510 174.320 174.900 -0.117 0.000 1.026 189 G CA 0.039 45.154 45.100 0.025 0.000 0.868 189 G HN 0.199 nan 8.290 nan 0.000 0.476 190 Y N 1.154 121.518 120.300 0.107 0.000 2.334 190 Y HA 0.358 4.908 4.550 0.000 0.000 0.328 190 Y C 0.841 176.838 175.900 0.162 0.000 1.130 190 Y CA -0.831 57.344 58.100 0.125 0.000 1.163 190 Y CB 1.657 40.208 38.460 0.152 0.000 1.207 190 Y HN 0.035 nan 8.280 nan 0.000 0.471 191 D N 0.259 120.808 120.400 0.248 0.000 2.392 191 D HA -0.029 4.611 4.640 -0.000 0.000 0.206 191 D C -0.413 176.085 176.300 0.331 0.000 1.046 191 D CA 0.401 54.522 54.000 0.202 0.000 0.865 191 D CB 0.348 41.204 40.800 0.094 0.000 0.969 191 D HN 0.538 nan 8.370 nan 0.000 0.509 192 N N 1.126 120.021 118.700 0.325 0.000 2.392 192 N HA 0.125 4.865 4.740 -0.000 0.000 0.283 192 N C 0.616 176.190 175.510 0.107 0.000 1.003 192 N CA -0.464 52.715 53.050 0.216 0.000 0.892 192 N CB 2.297 40.861 38.487 0.128 0.000 1.193 192 N HN -0.068 nan 8.380 nan 0.000 0.487 193 L N 1.015 122.206 121.223 -0.053 0.000 2.551 193 L HA -0.087 4.253 4.340 -0.000 0.000 0.228 193 L C 1.146 177.927 176.870 -0.148 0.000 1.153 193 L CA 0.535 55.211 54.840 -0.274 0.000 0.851 193 L CB -0.342 41.538 42.059 -0.298 0.000 0.959 193 L HN 0.612 nan 8.230 nan 0.000 0.451 194 N N -2.317 116.344 118.700 -0.065 0.000 2.299 194 N HA -0.061 4.679 4.740 -0.000 0.000 0.187 194 N C 0.474 175.948 175.510 -0.059 0.000 1.099 194 N CA -0.059 52.959 53.050 -0.053 0.000 0.867 194 N CB -0.269 38.205 38.487 -0.022 0.000 0.974 194 N HN 0.040 nan 8.380 nan 0.000 0.477 195 D N 2.935 123.305 120.400 -0.049 0.000 2.412 195 D HA 0.041 4.681 4.640 -0.000 0.000 0.257 195 D C -1.253 174.937 176.300 -0.183 0.000 1.217 195 D CA -1.424 52.535 54.000 -0.068 0.000 0.897 195 D CB 1.531 42.347 40.800 0.027 0.000 1.132 195 D HN 0.109 nan 8.370 nan 0.000 0.493 196 P HA -0.110 nan 4.420 nan 0.000 0.228 196 P C 0.617 177.714 177.300 -0.338 0.000 1.151 196 P CA 0.725 63.702 63.100 -0.205 0.000 0.770 196 P CB 0.296 31.948 31.700 -0.080 0.000 0.786 197 K N -0.385 119.681 120.400 -0.556 0.000 2.504 197 K HA 0.039 4.359 4.320 -0.000 0.000 0.195 197 K C 1.591 177.804 176.600 -0.645 0.000 1.036 197 K CA 0.384 56.221 56.287 -0.749 0.000 0.984 197 K CB -0.150 31.839 32.500 -0.852 0.000 0.788 197 K HN 0.059 nan 8.250 nan 0.000 0.488 198 V N 1.095 120.660 119.914 -0.582 0.000 3.608 198 V HA 0.076 4.196 4.120 -0.000 0.000 0.269 198 V C 0.595 176.444 176.094 -0.408 0.000 1.245 198 V CA 0.152 62.181 62.300 -0.452 0.000 1.138 198 V CB 0.031 31.649 31.823 -0.341 0.000 0.841 198 V HN 0.194 nan 8.190 nan 0.000 0.451 199 A N 0.258 122.779 122.820 -0.500 0.000 2.331 199 A HA 0.607 4.927 4.320 -0.000 0.000 0.283 199 A C -0.199 177.002 177.584 -0.638 0.000 1.142 199 A CA -0.094 51.669 52.037 -0.456 0.000 0.812 199 A CB 0.108 18.837 19.000 -0.453 0.000 1.074 199 A HN 0.549 nan 8.150 nan 0.000 0.497 200 H N 0.740 119.816 119.070 0.010 0.000 2.985 200 H HA 0.499 5.055 4.556 -0.000 0.000 0.360 200 H C -1.154 174.193 175.328 0.032 0.000 1.221 200 H CA -0.580 55.515 56.048 0.078 0.000 1.121 200 H CB 1.728 31.653 29.762 0.272 0.000 1.854 200 H HN 0.768 nan 8.280 nan 0.000 0.551 201 Q N 1.357 121.228 119.800 0.118 0.000 2.323 201 Q HA 0.478 4.818 4.340 -0.000 0.000 0.271 201 Q C -0.795 175.131 176.000 -0.122 0.000 1.048 201 Q CA -0.526 55.260 55.803 -0.029 0.000 0.792 201 Q CB 3.200 31.926 28.738 -0.020 0.000 1.280 201 Q HN 0.368 nan 8.270 nan 0.000 0.441 202 M N 2.598 122.061 119.600 -0.228 0.000 2.180 202 M HA 0.496 4.976 4.480 -0.000 0.000 0.350 202 M C -1.237 174.925 176.300 -0.231 0.000 1.125 202 M CA -0.389 54.828 55.300 -0.138 0.000 1.031 202 M CB 0.870 33.410 32.600 -0.101 0.000 1.623 202 M HN 0.459 nan 8.290 nan 0.000 0.451 203 F N 2.140 122.142 119.950 0.087 0.000 2.449 203 F HA 0.540 5.067 4.527 -0.000 0.000 0.342 203 F C -0.218 175.655 175.800 0.121 0.000 1.127 203 F CA -0.962 57.111 58.000 0.121 0.000 0.975 203 F CB 1.266 40.363 39.000 0.161 0.000 1.146 203 F HN 0.155 nan 8.300 nan 0.000 0.444 204 V N 2.664 122.737 119.914 0.264 0.000 2.427 204 V HA 0.491 4.611 4.120 -0.000 0.000 0.286 204 V C 0.234 176.435 176.094 0.179 0.000 1.034 204 V CA -0.702 61.733 62.300 0.226 0.000 0.893 204 V CB 1.616 33.579 31.823 0.233 0.000 0.982 204 V HN 0.890 nan 8.190 nan 0.000 0.452 205 T N 0.646 115.284 114.554 0.141 0.000 2.897 205 T HA 0.268 4.618 4.350 -0.000 0.000 0.278 205 T C 1.315 176.055 174.700 0.066 0.000 0.981 205 T CA 0.084 62.242 62.100 0.097 0.000 0.973 205 T CB 1.425 70.335 68.868 0.070 0.000 1.092 205 T HN 0.711 nan 8.240 nan 0.000 0.543 206 S N 0.583 116.311 115.700 0.046 0.000 2.447 206 S HA -0.156 4.314 4.470 -0.000 0.000 0.233 206 S C 1.446 176.055 174.600 0.015 0.000 1.006 206 S CA 0.959 59.175 58.200 0.028 0.000 0.957 206 S CB -1.022 62.191 63.200 0.022 0.000 0.773 206 S HN 0.915 nan 8.310 nan 0.000 0.507 207 N N 0.667 119.375 118.700 0.015 0.000 2.412 207 N HA 0.364 5.104 4.740 -0.000 0.000 0.184 207 N C 1.289 176.801 175.510 0.003 0.000 1.101 207 N CA 0.673 53.724 53.050 0.003 0.000 0.881 207 N CB -0.128 38.358 38.487 -0.001 0.000 0.969 207 N HN 0.512 nan 8.380 nan 0.000 0.459 208 G N -0.636 108.177 108.800 0.022 0.000 2.259 208 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.217 208 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.217 208 G C 0.343 175.285 174.900 0.069 0.000 1.001 208 G CA 0.215 45.333 45.100 0.030 0.000 0.627 208 G HN 0.743 nan 8.290 nan 0.000 0.501 209 T N -0.114 114.477 114.554 0.062 0.000 2.856 209 T HA 0.639 4.989 4.350 -0.000 0.000 0.306 209 T C 0.311 175.090 174.700 0.132 0.000 1.062 209 T CA 0.059 62.209 62.100 0.083 0.000 1.083 209 T CB 1.846 70.740 68.868 0.043 0.000 0.984 209 T HN 0.625 nan 8.240 nan 0.000 0.542 210 I N 1.093 121.766 120.570 0.172 0.000 2.545 210 I HA 0.474 4.644 4.170 -0.000 0.000 0.292 210 I C 0.006 176.272 176.117 0.248 0.000 1.040 210 I CA -1.024 60.390 61.300 0.191 0.000 1.068 210 I CB 2.018 40.091 38.000 0.121 0.000 1.251 210 I HN 1.017 nan 8.210 nan 0.000 0.424 211 C N 5.070 124.526 119.300 0.259 0.000 2.507 211 C HA 0.816 5.276 4.460 -0.000 0.000 0.319 211 C C -0.460 174.731 174.990 0.334 0.000 1.208 211 C CA -0.918 58.295 59.018 0.326 0.000 1.619 211 C CB 0.457 28.321 27.740 0.208 0.000 2.230 211 C HN 0.644 nan 8.230 nan 0.000 0.492 212 I N 2.112 122.775 120.570 0.154 0.000 2.474 212 I HA 0.526 4.696 4.170 -0.000 0.000 0.294 212 I C -0.218 175.768 176.117 -0.219 0.000 1.005 212 I CA -0.464 60.675 61.300 -0.269 0.000 1.113 212 I CB 1.806 39.021 38.000 -1.308 0.000 1.289 212 I HN 0.774 nan 8.210 nan 0.000 0.436 213 K N 4.206 124.472 120.400 -0.223 0.000 2.323 213 K HA 0.395 4.715 4.320 -0.000 0.000 0.259 213 K C -0.471 176.135 176.600 0.009 0.000 0.947 213 K CA -0.384 55.666 56.287 -0.395 0.000 0.819 213 K CB 1.714 33.806 32.500 -0.681 0.000 1.109 213 K HN 0.631 nan 8.250 nan 0.000 0.429 214 S N 3.175 118.991 115.700 0.194 0.000 2.505 214 S HA 0.061 4.531 4.470 -0.000 0.000 0.276 214 S C 0.670 175.283 174.600 0.023 0.000 1.274 214 S CA -0.191 58.171 58.200 0.270 0.000 1.053 214 S CB 0.650 64.044 63.200 0.325 0.000 0.919 214 S HN 0.794 nan 8.310 nan 0.000 0.490 215 N N 3.041 121.691 118.700 -0.085 0.000 2.142 215 N HA -0.054 4.686 4.740 -0.000 0.000 0.186 215 N C 1.254 176.715 175.510 -0.082 0.000 1.023 215 N CA 1.402 54.365 53.050 -0.145 0.000 0.852 215 N CB -0.382 37.902 38.487 -0.339 0.000 0.998 215 N HN 0.785 nan 8.380 nan 0.000 0.424 216 Y N 0.692 120.877 120.300 -0.191 0.000 2.114 216 Y HA -0.134 4.416 4.550 -0.000 0.000 0.284 216 Y C 1.972 177.826 175.900 -0.077 0.000 1.143 216 Y CA 1.546 59.562 58.100 -0.139 0.000 1.135 216 Y CB -0.106 38.266 38.460 -0.146 0.000 0.980 216 Y HN 0.064 nan 8.280 nan 0.000 0.499 217 M N -0.675 118.925 119.600 -0.000 0.000 2.349 217 M HA -0.044 4.436 4.480 -0.000 0.000 0.266 217 M C 0.864 177.135 176.300 -0.048 0.000 1.076 217 M CA 1.143 56.418 55.300 -0.042 0.000 1.126 217 M CB -1.320 31.321 32.600 0.068 0.000 1.392 217 M HN 0.401 nan 8.290 nan 0.000 0.440 218 N N 1.236 119.911 118.700 -0.041 0.000 2.780 218 N HA -0.139 4.601 4.740 -0.000 0.000 0.248 218 N C -1.145 174.354 175.510 -0.019 0.000 1.102 218 N CA 0.568 53.589 53.050 -0.048 0.000 0.697 218 N CB -0.305 38.156 38.487 -0.043 0.000 1.028 218 N HN 0.139 nan 8.380 nan 0.000 0.554 219 K N -0.101 120.300 120.400 0.002 0.000 2.482 219 K HA 0.445 4.765 4.320 -0.000 0.000 0.257 219 K C -0.446 176.217 176.600 0.106 0.000 0.969 219 K CA -0.472 55.878 56.287 0.105 0.000 0.842 219 K CB 0.648 33.237 32.500 0.148 0.000 1.359 219 K HN 0.009 nan 8.250 nan 0.000 0.441 220 F N 0.417 120.479 119.950 0.188 0.000 2.371 220 F HA 0.288 4.815 4.527 0.000 0.000 0.329 220 F C 0.569 176.605 175.800 0.394 0.000 1.107 220 F CA -0.280 57.873 58.000 0.256 0.000 1.137 220 F CB 0.514 39.607 39.000 0.154 0.000 1.214 220 F HN 0.276 nan 8.300 nan 0.000 0.536 221 W N 2.580 124.090 121.300 0.350 0.000 2.193 221 W HA 0.424 5.084 4.660 0.000 0.000 0.338 221 W C 0.247 176.967 176.519 0.334 0.000 1.310 221 W CA -0.826 56.697 57.345 0.297 0.000 1.243 221 W CB 0.015 29.628 29.460 0.256 0.000 1.165 221 W HN 0.280 nan 8.180 nan 0.000 0.566 222 R N 2.759 123.525 120.500 0.444 0.000 2.536 222 R HA 0.338 4.678 4.340 -0.000 0.000 0.269 222 R C -1.581 174.828 176.300 0.183 0.000 1.113 222 R CA -1.081 55.175 56.100 0.260 0.000 0.948 222 R CB 1.353 31.767 30.300 0.191 0.000 1.237 222 R HN 0.482 nan 8.270 nan 0.000 0.441 223 L N 2.830 124.105 121.223 0.087 0.000 2.410 223 L HA 0.365 4.705 4.340 -0.000 0.000 0.273 223 L C -0.342 176.547 176.870 0.032 0.000 1.152 223 L CA 1.071 55.938 54.840 0.045 0.000 0.855 223 L CB 1.357 43.387 42.059 -0.049 0.000 1.129 223 L HN 0.763 nan 8.230 nan 0.000 0.463 224 S N 1.795 117.524 115.700 0.049 0.000 4.185 224 S HA 0.423 4.893 4.470 -0.000 0.000 0.278 224 S C -0.512 174.108 174.600 0.034 0.000 1.080 224 S CA -0.001 58.227 58.200 0.046 0.000 1.356 224 S CB 0.626 63.878 63.200 0.088 0.000 1.483 224 S HN 0.691 nan 8.310 nan 0.000 0.715 225 T N 3.342 117.942 114.554 0.077 0.000 2.849 225 T HA 0.118 4.468 4.350 -0.000 0.000 0.289 225 T C -0.565 174.175 174.700 0.066 0.000 1.010 225 T CA 1.368 63.516 62.100 0.079 0.000 1.161 225 T CB -0.534 68.412 68.868 0.130 0.000 0.989 225 T HN 0.597 nan 8.240 nan 0.000 0.523 226 D N 2.136 122.502 120.400 -0.056 0.000 2.882 226 D HA -0.167 4.473 4.640 -0.000 0.000 0.229 226 D C 0.390 176.409 176.300 -0.467 0.000 1.167 226 D CA 1.245 55.114 54.000 -0.219 0.000 0.759 226 D CB -0.909 39.797 40.800 -0.158 0.000 1.088 226 D HN 0.836 nan 8.370 nan 0.000 0.425 227 D N -2.757 117.460 120.400 -0.304 0.000 3.012 227 D HA -0.243 4.397 4.640 -0.000 0.000 0.222 227 D C 0.049 176.158 176.300 -0.318 0.000 1.167 227 D CA 1.021 54.835 54.000 -0.310 0.000 0.854 227 D CB -1.553 39.018 40.800 -0.381 0.000 1.107 227 D HN 0.567 nan 8.370 nan 0.000 0.421 228 W N 0.188 121.467 121.300 -0.035 0.000 2.251 228 W HA 0.381 5.041 4.660 0.000 0.000 0.329 228 W C 1.189 177.719 176.519 0.018 0.000 1.234 228 W CA -0.775 56.572 57.345 0.003 0.000 1.228 228 W CB 0.563 30.024 29.460 0.001 0.000 1.135 228 W HN -0.114 nan 8.180 nan 0.000 0.576 229 I N 4.479 125.222 120.570 0.289 0.000 2.301 229 I HA 0.222 4.392 4.170 -0.000 0.000 0.292 229 I C -0.088 176.101 176.117 0.121 0.000 1.046 229 I CA -0.533 60.873 61.300 0.177 0.000 1.282 229 I CB -0.425 37.644 38.000 0.115 0.000 1.409 229 I HN 0.232 nan 8.210 nan 0.000 0.484 230 L N 6.211 127.522 121.223 0.146 0.000 2.334 230 L HA 0.525 4.865 4.340 -0.000 0.000 0.270 230 L C 0.043 176.986 176.870 0.122 0.000 1.018 230 L CA -1.023 53.886 54.840 0.114 0.000 0.811 230 L CB 2.050 44.191 42.059 0.137 0.000 1.271 230 L HN 0.157 nan 8.230 nan 0.000 0.443 231 V N 1.255 121.230 119.914 0.102 0.000 2.184 231 V HA 0.153 4.273 4.120 -0.000 0.000 0.262 231 V C -0.289 175.901 176.094 0.159 0.000 1.209 231 V CA -0.086 62.311 62.300 0.162 0.000 1.070 231 V CB -0.152 31.752 31.823 0.136 0.000 1.244 231 V HN 0.927 nan 8.190 nan 0.000 0.477 232 D N 1.226 121.733 120.400 0.178 0.000 2.497 232 D HA 0.122 4.762 4.640 -0.000 0.000 0.256 232 D C 0.797 177.194 176.300 0.162 0.000 1.273 232 D CA 0.152 54.238 54.000 0.144 0.000 0.812 232 D CB 0.314 41.179 40.800 0.108 0.000 1.190 232 D HN 0.394 nan 8.370 nan 0.000 0.524 233 G N 0.221 109.155 108.800 0.224 0.000 2.503 233 G HA2 0.325 4.285 3.960 -0.000 0.000 0.257 233 G HA3 0.325 4.285 3.960 -0.000 0.000 0.257 233 G C 0.235 175.275 174.900 0.235 0.000 1.214 233 G CA -0.373 44.850 45.100 0.205 0.000 0.839 233 G HN -0.006 nan 8.290 nan 0.000 0.559 234 N N 0.020 118.779 118.700 0.098 0.000 2.379 234 N HA 0.103 4.843 4.740 -0.000 0.000 0.260 234 N C -0.136 175.249 175.510 -0.207 0.000 1.254 234 N CA -0.466 52.607 53.050 0.039 0.000 0.958 234 N CB 0.697 39.175 38.487 -0.015 0.000 1.208 234 N HN 0.460 nan 8.380 nan 0.000 0.532 235 D N 1.537 121.736 120.400 -0.334 0.000 2.349 235 D HA 0.033 4.673 4.640 -0.000 0.000 0.266 235 D C -1.450 174.523 176.300 -0.546 0.000 1.293 235 D CA -1.178 52.342 54.000 -0.798 0.000 0.926 235 D CB 0.758 41.296 40.800 -0.436 0.000 1.090 235 D HN 0.261 nan 8.370 nan 0.000 0.502 236 P HA -0.062 nan 4.420 nan 0.000 0.234 236 P C 0.991 178.147 177.300 -0.239 0.000 1.167 236 P CA 0.362 63.274 63.100 -0.314 0.000 0.763 236 P CB 0.344 31.893 31.700 -0.252 0.000 0.835 237 R N -0.143 120.186 120.500 -0.284 0.000 2.235 237 R HA -0.011 4.329 4.340 -0.000 0.000 0.213 237 R C 2.210 178.430 176.300 -0.134 0.000 1.059 237 R CA 0.779 56.777 56.100 -0.170 0.000 0.997 237 R CB -0.080 30.123 30.300 -0.162 0.000 0.884 237 R HN 0.313 nan 8.270 nan 0.000 0.462 238 E N -0.614 119.491 120.200 -0.159 0.000 2.256 238 E HA -0.051 4.299 4.350 -0.000 0.000 0.198 238 E C 1.553 178.094 176.600 -0.098 0.000 0.908 238 E CA 1.117 57.450 56.400 -0.111 0.000 0.915 238 E CB 0.461 30.097 29.700 -0.108 0.000 0.890 238 E HN 0.275 nan 8.360 nan 0.000 0.484 239 T N -1.132 113.351 114.554 -0.119 0.000 3.043 239 T HA -0.005 4.345 4.350 -0.000 0.000 0.263 239 T C 0.857 175.507 174.700 -0.084 0.000 1.094 239 T CA 0.448 62.492 62.100 -0.093 0.000 1.127 239 T CB -0.012 68.800 68.868 -0.094 0.000 0.905 239 T HN 0.040 nan 8.240 nan 0.000 0.490 240 N N 1.636 120.280 118.700 -0.095 0.000 2.725 240 N HA -0.149 4.591 4.740 -0.000 0.000 0.249 240 N C -0.437 175.025 175.510 -0.079 0.000 1.103 240 N CA 0.867 53.869 53.050 -0.080 0.000 0.707 240 N CB -1.366 37.083 38.487 -0.062 0.000 1.043 240 N HN 0.812 nan 8.380 nan 0.000 0.553 241 E N 0.136 120.283 120.200 -0.089 0.000 2.105 241 E HA 0.389 4.739 4.350 -0.000 0.000 0.285 241 E C 1.226 177.766 176.600 -0.100 0.000 1.055 241 E CA 0.304 56.654 56.400 -0.083 0.000 0.843 241 E CB 0.574 30.230 29.700 -0.074 0.000 1.067 241 E HN 0.301 nan 8.360 nan 0.000 0.398 242 A N 4.650 127.409 122.820 -0.102 0.000 1.986 242 A HA -0.245 4.075 4.320 -0.000 0.000 0.220 242 A C 2.114 179.591 177.584 -0.179 0.000 1.171 242 A CA 1.901 53.861 52.037 -0.129 0.000 0.640 242 A CB -0.498 18.434 19.000 -0.113 0.000 0.811 242 A HN 0.748 nan 8.150 nan 0.000 0.451 243 A N -0.714 122.017 122.820 -0.149 0.000 2.024 243 A HA 0.223 4.543 4.320 -0.000 0.000 0.220 243 A C 2.033 179.496 177.584 -0.202 0.000 1.164 243 A CA 1.760 53.698 52.037 -0.165 0.000 0.643 243 A CB -0.552 18.394 19.000 -0.090 0.000 0.806 243 A HN 1.189 nan 8.150 nan 0.000 0.451 244 A N -1.106 121.627 122.820 -0.145 0.000 2.460 244 A HA 0.601 4.921 4.320 -0.000 0.000 0.258 244 A C 0.284 177.806 177.584 -0.103 0.000 1.300 244 A CA -0.275 51.729 52.037 -0.055 0.000 0.913 244 A CB -0.128 18.893 19.000 0.035 0.000 1.031 244 A HN 0.344 nan 8.150 nan 0.000 0.512 245 L N -0.126 120.918 121.223 -0.298 0.000 2.329 245 L HA 0.675 5.015 4.340 -0.000 0.000 0.279 245 L C -1.093 175.536 176.870 -0.401 0.000 1.014 245 L CA -0.637 54.092 54.840 -0.186 0.000 0.814 245 L CB 1.787 43.776 42.059 -0.117 0.000 1.257 245 L HN 0.253 nan 8.230 nan 0.000 0.424 246 F N 1.182 121.140 119.950 0.013 0.000 2.577 246 F HA 0.626 5.153 4.527 -0.000 0.000 0.318 246 F C -0.007 175.798 175.800 0.008 0.000 1.065 246 F CA -0.798 57.206 58.000 0.007 0.000 0.929 246 F CB 1.922 40.927 39.000 0.009 0.000 1.237 246 F HN 0.225 nan 8.300 nan 0.000 0.468 247 R N 0.783 121.402 120.500 0.197 0.000 2.513 247 R HA 0.545 4.885 4.340 -0.000 0.000 0.301 247 R C -0.999 175.402 176.300 0.168 0.000 0.968 247 R CA -0.707 55.474 56.100 0.135 0.000 0.872 247 R CB 2.259 32.593 30.300 0.057 0.000 1.177 247 R HN 0.827 nan 8.270 nan 0.000 0.444 248 S N 0.678 116.491 115.700 0.188 0.000 2.616 248 S HA 0.268 4.738 4.470 -0.000 0.000 0.277 248 S C -0.380 174.340 174.600 0.199 0.000 1.234 248 S CA -0.828 57.500 58.200 0.213 0.000 1.028 248 S CB 1.848 65.214 63.200 0.278 0.000 0.988 248 S HN 0.521 nan 8.310 nan 0.000 0.522 249 D N 1.422 121.922 120.400 0.166 0.000 2.462 249 D HA 0.348 4.988 4.640 -0.000 0.000 0.245 249 D C -0.815 175.386 176.300 -0.166 0.000 1.122 249 D CA -0.644 53.377 54.000 0.035 0.000 0.864 249 D CB 1.211 42.036 40.800 0.043 0.000 1.098 249 D HN 0.359 nan 8.370 nan 0.000 0.541 250 V N 5.515 125.391 119.914 -0.064 0.000 2.488 250 V HA 0.145 4.265 4.120 -0.000 0.000 0.277 250 V C 1.346 177.292 176.094 -0.247 0.000 1.046 250 V CA -0.278 61.954 62.300 -0.112 0.000 0.986 250 V CB 1.197 32.982 31.823 -0.063 0.000 0.989 250 V HN 0.614 nan 8.190 nan 0.000 0.475 251 H N 1.975 121.051 119.070 0.010 0.000 2.516 251 H HA 0.289 4.845 4.556 0.000 0.000 0.284 251 H C 0.261 175.561 175.328 -0.047 0.000 0.999 251 H CA 0.620 56.663 56.048 -0.010 0.000 1.303 251 H CB 0.956 30.722 29.762 0.007 0.000 1.452 251 H HN 0.759 nan 8.280 nan 0.000 0.530 252 D N -1.570 118.850 120.400 0.033 0.000 2.827 252 D HA 0.058 4.698 4.640 -0.000 0.000 0.336 252 D C -1.296 174.950 176.300 -0.090 0.000 1.374 252 D CA -0.687 53.281 54.000 -0.053 0.000 0.794 252 D CB 0.191 41.044 40.800 0.088 0.000 1.364 252 D HN -0.248 nan 8.370 nan 0.000 0.464 253 F N 2.232 122.191 119.950 0.015 0.000 2.571 253 F HA 0.119 4.646 4.527 -0.000 0.000 0.390 253 F C 1.557 177.396 175.800 0.065 0.000 1.043 253 F CA 0.542 58.549 58.000 0.012 0.000 1.164 253 F CB -0.336 38.670 39.000 0.011 0.000 1.049 253 F HN 0.240 nan 8.300 nan 0.000 0.552 254 N N 0.721 119.564 118.700 0.237 0.000 2.741 254 N HA -0.187 4.553 4.740 -0.000 0.000 0.251 254 N C -1.119 174.525 175.510 0.223 0.000 1.112 254 N CA 0.679 53.874 53.050 0.240 0.000 0.750 254 N CB -1.298 37.309 38.487 0.201 0.000 1.119 254 N HN 0.241 nan 8.380 nan 0.000 0.561 255 V N 1.620 121.662 119.914 0.213 0.000 2.409 255 V HA 0.659 4.779 4.120 -0.000 0.000 0.290 255 V C 0.615 176.881 176.094 0.288 0.000 1.017 255 V CA -0.763 61.676 62.300 0.232 0.000 0.841 255 V CB 1.586 33.526 31.823 0.195 0.000 1.003 255 V HN 0.257 nan 8.190 nan 0.000 0.426 256 I N 1.352 122.108 120.570 0.311 0.000 3.343 256 I HA 0.909 5.079 4.170 -0.000 0.000 0.315 256 I C -0.549 175.740 176.117 0.287 0.000 1.153 256 I CA -0.676 60.778 61.300 0.256 0.000 0.952 256 I CB 2.653 40.777 38.000 0.207 0.000 1.287 256 I HN 0.358 nan 8.210 nan 0.000 0.472 257 S N 1.453 117.271 115.700 0.197 0.000 2.541 257 S HA 0.736 5.206 4.470 -0.000 0.000 0.280 257 S C -0.941 173.851 174.600 0.319 0.000 1.112 257 S CA -0.567 57.785 58.200 0.252 0.000 0.925 257 S CB 1.887 65.177 63.200 0.150 0.000 1.067 257 S HN 0.460 nan 8.310 nan 0.000 0.479 258 L N 2.772 124.211 121.223 0.359 0.000 2.333 258 L HA 0.602 4.942 4.340 -0.000 0.000 0.280 258 L C -0.943 176.153 176.870 0.376 0.000 1.004 258 L CA -0.719 54.306 54.840 0.308 0.000 0.820 258 L CB 1.539 43.650 42.059 0.086 0.000 1.247 258 L HN 0.466 nan 8.230 nan 0.000 0.416 259 L N 4.353 125.676 121.223 0.167 0.000 2.275 259 L HA 0.374 4.714 4.340 -0.000 0.000 0.288 259 L C 0.141 177.027 176.870 0.026 0.000 1.046 259 L CA 0.109 54.832 54.840 -0.196 0.000 0.805 259 L CB 1.062 42.815 42.059 -0.509 0.000 1.193 259 L HN 0.581 nan 8.230 nan 0.000 0.426 260 N N 4.651 123.343 118.700 -0.013 0.000 2.488 260 N HA 0.033 4.773 4.740 -0.000 0.000 0.274 260 N C 0.567 175.935 175.510 -0.236 0.000 1.111 260 N CA -0.535 52.361 53.050 -0.257 0.000 0.974 260 N CB 1.147 39.522 38.487 -0.187 0.000 1.089 260 N HN 0.668 nan 8.380 nan 0.000 0.465 261 M N 2.376 121.800 119.600 -0.294 0.000 2.557 261 M HA -0.064 4.416 4.480 -0.000 0.000 0.259 261 M C 1.585 177.789 176.300 -0.161 0.000 1.086 261 M CA 0.894 56.080 55.300 -0.190 0.000 1.096 261 M CB -1.004 31.496 32.600 -0.166 0.000 1.424 261 M HN 0.645 nan 8.290 nan 0.000 0.488 262 Q N 0.753 120.442 119.800 -0.185 0.000 2.134 262 Q HA -0.014 4.326 4.340 -0.000 0.000 0.195 262 Q C 1.955 177.867 176.000 -0.147 0.000 0.958 262 Q CA 1.548 57.260 55.803 -0.151 0.000 0.840 262 Q CB 0.061 28.709 28.738 -0.151 0.000 0.918 262 Q HN 0.416 nan 8.270 nan 0.000 0.467 263 K N -0.342 119.963 120.400 -0.159 0.000 2.361 263 K HA 0.015 4.335 4.320 -0.000 0.000 0.196 263 K C -0.337 176.209 176.600 -0.090 0.000 1.039 263 K CA 1.111 57.284 56.287 -0.189 0.000 1.001 263 K CB 0.267 32.615 32.500 -0.252 0.000 0.795 263 K HN 0.424 nan 8.250 nan 0.000 0.495 264 T N -2.167 112.359 114.554 -0.047 0.000 4.039 264 T HA -0.189 4.161 4.350 -0.000 0.000 0.352 264 T C -0.655 174.123 174.700 0.130 0.000 0.756 264 T CA 0.900 62.992 62.100 -0.013 0.000 1.923 264 T CB -2.353 66.512 68.868 -0.006 0.000 1.848 264 T HN 0.270 nan 8.240 nan 0.000 0.835 265 W N -0.175 120.979 121.300 -0.243 0.000 2.882 265 W HA 0.758 5.418 4.660 -0.000 0.000 0.345 265 W C -0.135 176.232 176.519 -0.253 0.000 1.125 265 W CA -2.132 55.085 57.345 -0.213 0.000 1.167 265 W CB 0.898 30.288 29.460 -0.117 0.000 1.431 265 W HN 0.174 nan 8.180 nan 0.000 0.543 266 F N 3.609 123.639 119.950 0.135 0.000 2.399 266 F HA 0.324 4.851 4.527 -0.000 0.000 0.342 266 F C 1.108 176.993 175.800 0.142 0.000 1.106 266 F CA -0.656 57.415 58.000 0.118 0.000 1.196 266 F CB 0.374 39.400 39.000 0.043 0.000 1.163 266 F HN 0.016 nan 8.300 nan 0.000 0.547 267 I N 1.623 122.402 120.570 0.347 0.000 2.532 267 I HA 0.599 4.769 4.170 -0.000 0.000 0.292 267 I C -0.777 175.486 176.117 0.245 0.000 1.014 267 I CA -0.639 60.820 61.300 0.265 0.000 1.340 267 I CB 1.461 39.630 38.000 0.283 0.000 1.422 267 I HN 0.744 nan 8.210 nan 0.000 0.528 268 K N 4.005 124.535 120.400 0.217 0.000 2.579 268 K HA 0.427 4.747 4.320 -0.000 0.000 0.284 268 K C -1.122 175.671 176.600 0.322 0.000 0.990 268 K CA -1.112 55.312 56.287 0.229 0.000 0.880 268 K CB 1.280 33.870 32.500 0.151 0.000 1.488 268 K HN 0.695 nan 8.250 nan 0.000 0.425 269 R N 1.149 121.829 120.500 0.300 0.000 2.458 269 R HA 0.195 4.535 4.340 -0.000 0.000 0.303 269 R C -1.408 175.138 176.300 0.410 0.000 1.013 269 R CA 0.033 56.353 56.100 0.366 0.000 1.026 269 R CB 0.118 30.446 30.300 0.047 0.000 0.948 269 R HN 0.576 nan 8.270 nan 0.000 0.417 270 F N 1.989 122.108 119.950 0.281 0.000 2.601 270 F HA 0.372 4.899 4.527 0.000 0.000 0.309 270 F C -1.114 174.894 175.800 0.346 0.000 1.089 270 F CA -0.517 57.634 58.000 0.251 0.000 0.940 270 F CB 2.624 41.733 39.000 0.182 0.000 1.273 270 F HN 0.375 nan 8.300 nan 0.000 0.450 271 T N 2.959 117.300 114.554 -0.356 0.000 2.892 271 T HA 0.199 4.549 4.350 -0.000 0.000 0.311 271 T C 0.711 175.055 174.700 -0.593 0.000 1.033 271 T CA 0.017 61.988 62.100 -0.215 0.000 0.991 271 T CB 1.157 69.967 68.868 -0.097 0.000 0.981 271 T HN 0.667 nan 8.240 nan 0.000 0.457 272 S N 2.297 117.832 115.700 -0.275 0.000 2.383 272 S HA 0.158 4.628 4.470 -0.000 0.000 0.227 272 S C 1.960 176.528 174.600 -0.053 0.000 1.026 272 S CA 1.234 59.318 58.200 -0.193 0.000 0.981 272 S CB -0.212 63.170 63.200 0.303 0.000 0.818 272 S HN 1.219 nan 8.310 nan 0.000 0.472 273 G N 1.081 109.897 108.800 0.027 0.000 2.391 273 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.204 273 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.204 273 G C 0.027 174.984 174.900 0.096 0.000 1.012 273 G CA -0.027 45.096 45.100 0.037 0.000 0.651 273 G HN 0.700 nan 8.290 nan 0.000 0.494 274 K N 3.110 123.613 120.400 0.172 0.000 2.451 274 K HA 0.339 4.659 4.320 -0.000 0.000 0.280 274 K C -1.830 174.911 176.600 0.234 0.000 1.020 274 K CA -1.019 55.403 56.287 0.226 0.000 1.008 274 K CB 0.572 33.264 32.500 0.321 0.000 0.917 274 K HN 0.164 nan 8.250 nan 0.000 0.478 275 P HA -0.115 nan 4.420 nan 0.000 0.260 275 P C 0.534 177.780 177.300 -0.089 0.000 1.172 275 P CA 1.155 64.268 63.100 0.022 0.000 0.760 275 P CB 0.525 32.227 31.700 0.003 0.000 0.773 276 G N 3.045 111.750 108.800 -0.158 0.000 2.336 276 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.233 276 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.233 276 G C 0.083 174.713 174.900 -0.451 0.000 1.053 276 G CA -0.378 44.511 45.100 -0.351 0.000 0.625 276 G HN 0.433 nan 8.290 nan 0.000 0.511 277 F N 1.672 121.529 119.950 -0.155 0.000 2.661 277 F HA 0.596 5.123 4.527 0.000 0.000 0.356 277 F C 0.363 176.107 175.800 -0.093 0.000 1.244 277 F CA -0.488 57.363 58.000 -0.249 0.000 1.290 277 F CB 0.130 38.952 39.000 -0.296 0.000 1.677 277 F HN -0.059 nan 8.300 nan 0.000 0.649 278 I N 2.289 122.866 120.570 0.013 0.000 2.362 278 I HA 0.285 4.455 4.170 -0.000 0.000 0.289 278 I C 0.166 176.336 176.117 0.089 0.000 0.994 278 I CA -0.849 60.477 61.300 0.042 0.000 1.158 278 I CB 0.928 38.922 38.000 -0.010 0.000 1.315 278 I HN 0.292 nan 8.210 nan 0.000 0.451 279 N N 2.689 121.484 118.700 0.158 0.000 2.735 279 N HA -0.181 4.559 4.740 -0.000 0.000 0.248 279 N C -0.845 174.864 175.510 0.331 0.000 1.083 279 N CA 0.489 53.687 53.050 0.246 0.000 0.703 279 N CB -1.258 37.352 38.487 0.205 0.000 1.005 279 N HN 0.484 nan 8.380 nan 0.000 0.550 280 C N 0.408 119.934 119.300 0.377 0.000 2.365 280 C HA 0.510 4.970 4.460 -0.000 0.000 0.349 280 C C 1.415 176.745 174.990 0.568 0.000 1.191 280 C CA -0.840 58.398 59.018 0.367 0.000 2.114 280 C CB 1.013 28.833 27.740 0.133 0.000 2.367 280 C HN 0.445 nan 8.230 nan 0.000 0.530 281 M N 4.388 124.196 119.600 0.346 0.000 2.268 281 M HA 0.203 4.683 4.480 -0.000 0.000 0.349 281 M C -0.115 176.421 176.300 0.393 0.000 1.485 281 M CA 0.922 56.389 55.300 0.279 0.000 1.094 281 M CB -0.488 32.075 32.600 -0.062 0.000 1.843 281 M HN 0.741 nan 8.290 nan 0.000 0.460 282 N N 3.286 122.132 118.700 0.243 0.000 2.264 282 N HA 0.501 5.241 4.740 -0.000 0.000 0.288 282 N C -1.696 173.776 175.510 -0.064 0.000 1.094 282 N CA -0.409 52.614 53.050 -0.045 0.000 0.817 282 N CB 1.873 40.105 38.487 -0.425 0.000 1.604 282 N HN 0.698 nan 8.380 nan 0.000 0.473 283 A N 2.381 125.155 122.820 -0.077 0.000 3.037 283 A HA 0.490 4.810 4.320 -0.000 0.000 0.272 283 A C 0.754 178.373 177.584 0.058 0.000 1.723 283 A CA 0.052 52.117 52.037 0.046 0.000 1.413 283 A CB -0.952 18.069 19.000 0.035 0.000 1.112 283 A HN 0.636 nan 8.150 nan 0.000 0.606 284 A N 1.045 123.860 122.820 -0.008 0.000 2.465 284 A HA 0.494 4.814 4.320 -0.000 0.000 0.255 284 A C 0.745 178.397 177.584 0.113 0.000 1.274 284 A CA 0.538 52.542 52.037 -0.054 0.000 0.920 284 A CB 0.150 18.665 19.000 -0.809 0.000 1.033 284 A HN 0.623 nan 8.150 nan 0.000 0.516 285 T N -1.366 113.229 114.554 0.068 0.000 3.071 285 T HA 0.257 4.607 4.350 -0.000 0.000 0.311 285 T C 0.478 174.797 174.700 -0.635 0.000 1.042 285 T CA -0.332 61.565 62.100 -0.337 0.000 1.028 285 T CB 1.444 70.239 68.868 -0.122 0.000 1.068 285 T HN 0.341 nan 8.240 nan 0.000 0.451 286 Q N 3.022 122.035 119.800 -1.312 0.000 2.046 286 Q HA -0.002 4.338 4.340 -0.000 0.000 0.200 286 Q C 0.175 176.034 176.000 -0.235 0.000 0.975 286 Q CA 1.246 56.329 55.803 -1.200 0.000 0.836 286 Q CB 0.204 28.319 28.738 -1.039 0.000 0.896 286 Q HN 0.571 nan 8.270 nan 0.000 0.428 287 N N -0.483 118.131 118.700 -0.144 0.000 2.404 287 N HA 0.224 4.964 4.740 -0.000 0.000 0.297 287 N C -1.170 174.228 175.510 -0.187 0.000 1.163 287 N CA -0.446 52.592 53.050 -0.020 0.000 0.864 287 N CB 1.785 40.223 38.487 -0.082 0.000 1.247 287 N HN -0.113 nan 8.380 nan 0.000 0.510 288 V N 1.912 121.534 119.914 -0.487 0.000 2.557 288 V HA -0.043 4.077 4.120 -0.000 0.000 0.301 288 V C 0.304 176.250 176.094 -0.246 0.000 1.026 288 V CA 0.440 62.420 62.300 -0.532 0.000 1.137 288 V CB -0.234 31.281 31.823 -0.513 0.000 0.917 288 V HN 0.773 nan 8.190 nan 0.000 0.484 289 D N 2.747 123.040 120.400 -0.178 0.000 2.533 289 D HA 0.244 4.884 4.640 -0.000 0.000 0.247 289 D C 0.906 177.142 176.300 -0.107 0.000 1.056 289 D CA -0.521 53.410 54.000 -0.116 0.000 1.054 289 D CB 0.938 41.693 40.800 -0.074 0.000 1.400 289 D HN 0.554 nan 8.370 nan 0.000 0.533 290 E N -0.563 119.585 120.200 -0.088 0.000 2.097 290 E HA -0.284 4.066 4.350 -0.000 0.000 0.196 290 E C 1.307 177.859 176.600 -0.080 0.000 1.000 290 E CA 2.011 58.358 56.400 -0.089 0.000 0.804 290 E CB -0.939 28.720 29.700 -0.069 0.000 0.740 290 E HN 0.595 nan 8.360 nan 0.000 0.454 291 T N -1.593 112.931 114.554 -0.051 0.000 3.113 291 T HA 0.231 4.581 4.350 -0.000 0.000 0.263 291 T C 1.701 176.390 174.700 -0.020 0.000 1.143 291 T CA 0.609 62.683 62.100 -0.043 0.000 1.090 291 T CB 0.202 69.083 68.868 0.021 0.000 0.922 291 T HN 0.321 nan 8.240 nan 0.000 0.521 292 A N 0.300 123.112 122.820 -0.014 0.000 2.308 292 A HA 0.522 4.842 4.320 -0.000 0.000 0.217 292 A C 0.490 178.102 177.584 0.046 0.000 1.216 292 A CA -0.393 51.666 52.037 0.036 0.000 0.864 292 A CB -0.232 18.769 19.000 0.002 0.000 0.902 292 A HN 0.475 nan 8.150 nan 0.000 0.499 293 I N 1.290 121.856 120.570 -0.008 0.000 2.325 293 I HA 0.288 4.458 4.170 -0.000 0.000 0.291 293 I C -0.393 175.773 176.117 0.081 0.000 1.019 293 I CA 0.082 61.394 61.300 0.020 0.000 1.302 293 I CB 1.134 39.072 38.000 -0.102 0.000 1.401 293 I HN 0.147 nan 8.210 nan 0.000 0.485 294 L N 6.106 127.442 121.223 0.188 0.000 2.329 294 L HA 0.577 4.917 4.340 -0.000 0.000 0.279 294 L C 0.016 177.061 176.870 0.293 0.000 1.014 294 L CA -0.710 54.300 54.840 0.284 0.000 0.814 294 L CB 1.559 43.848 42.059 0.382 0.000 1.257 294 L HN 0.513 nan 8.230 nan 0.000 0.424 295 E N 3.333 123.706 120.200 0.289 0.000 2.151 295 E HA 0.419 4.769 4.350 -0.000 0.000 0.275 295 E C -0.959 175.778 176.600 0.229 0.000 0.936 295 E CA -0.721 55.820 56.400 0.234 0.000 0.777 295 E CB 1.409 31.218 29.700 0.180 0.000 1.108 295 E HN 0.494 nan 8.360 nan 0.000 0.401 296 I N 5.367 126.031 120.570 0.156 0.000 2.379 296 I HA 0.127 4.297 4.170 -0.000 0.000 0.290 296 I C -0.282 175.828 176.117 -0.012 0.000 1.063 296 I CA -0.353 60.938 61.300 -0.015 0.000 1.351 296 I CB 0.426 38.431 38.000 0.010 0.000 1.410 296 I HN 0.441 nan 8.210 nan 0.000 0.505 297 I N 6.929 127.453 120.570 -0.076 0.000 2.330 297 I HA 0.185 4.355 4.170 -0.000 0.000 0.289 297 I C 0.417 176.476 176.117 -0.098 0.000 1.001 297 I CA -0.236 61.040 61.300 -0.041 0.000 1.193 297 I CB 1.032 39.020 38.000 -0.020 0.000 1.345 297 I HN 0.496 nan 8.210 nan 0.000 0.461 298 E N 6.150 126.314 120.200 -0.060 0.000 2.354 298 E HA 0.418 4.768 4.350 -0.000 0.000 0.269 298 E C -0.667 175.895 176.600 -0.063 0.000 1.036 298 E CA -0.256 56.106 56.400 -0.063 0.000 0.876 298 E CB 1.159 30.833 29.700 -0.044 0.000 1.009 298 E HN 0.426 nan 8.360 nan 0.000 0.416 299 L N 0.000 121.194 121.223 -0.048 0.000 2.949 299 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 299 L CA 0.000 54.825 54.840 -0.025 0.000 0.813 299 L CB 0.000 42.071 42.059 0.020 0.000 0.961 299 L HN 0.000 nan 8.230 nan 0.000 0.502