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 2buh_1_D DATA FIRST_RESID 1 DATA SEQUENCE MKRAVITGLG IVSSIGNNQQ EVLASLREGR SGITFSQELK DSGMRSHVWG DATA SEQUENCE NVKLDTTGLI DRKVVRFMSD ASIYAFLSME QAIADAGLSP EAYQNNPRVG DATA SEQUENCE LIAGSGGGSP RFQVFGADAM RGPRGLKAVG PYVVTKAMAS GVSACLATPF DATA SEQUENCE KIHGVNYSIS SACATSAHCI GNAVEQIQLG KQDIVFAGGG EELCWEMACE DATA SEQUENCE FDAMGALSTK YNDTPEKASR TYDAHRDGFV IAGGGGMVVV EELEHALARG DATA SEQUENCE AHIYAEIVGY GATSDGADMV APSGEGAVRC MKMAMHGVDT PIDYLNSHGT DATA SEQUENCE STPVGDVKEL AAIREVFGDK SPAISATKAM TGHSLGAAGV QEAIYSLLML DATA SEQUENCE EHGFIAPSIN IEELDEQAAG LNIVTETTDR ELTTVMSNSF GFGGTNATLV DATA SEQUENCE MRKLKD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.306 176.300 0.010 0.000 1.140 1 M CA 0.000 55.307 55.300 0.011 0.000 0.988 1 M CB 0.000 32.606 32.600 0.009 0.000 1.302 2 K N 2.364 122.768 120.400 0.008 0.000 2.355 2 K HA 0.403 4.723 4.320 -0.000 0.000 0.270 2 K C -0.492 176.111 176.600 0.004 0.000 1.003 2 K CA 0.397 56.687 56.287 0.005 0.000 0.957 2 K CB 0.385 32.885 32.500 -0.000 0.000 0.939 2 K HN 0.304 nan 8.250 nan 0.000 0.482 3 R N 0.795 121.296 120.500 0.001 0.000 2.474 3 R HA 0.662 5.002 4.340 -0.000 0.000 0.295 3 R C -0.814 175.479 176.300 -0.011 0.000 0.980 3 R CA -0.884 55.216 56.100 -0.000 0.000 0.934 3 R CB 1.857 32.157 30.300 0.001 0.000 1.101 3 R HN 0.630 nan 8.270 nan 0.000 0.469 4 A N 2.287 125.097 122.820 -0.016 0.000 2.331 4 A HA 0.635 4.955 4.320 -0.000 0.000 0.320 4 A C -0.404 177.160 177.584 -0.033 0.000 1.138 4 A CA -0.665 51.351 52.037 -0.035 0.000 0.790 4 A CB 1.077 20.049 19.000 -0.047 0.000 1.206 4 A HN 0.527 nan 8.150 nan 0.000 0.470 5 V N 0.130 120.020 119.914 -0.040 0.000 3.074 5 V HA 0.740 4.860 4.120 -0.000 0.000 0.314 5 V C -0.454 175.618 176.094 -0.037 0.000 1.117 5 V CA -0.955 61.326 62.300 -0.032 0.000 1.014 5 V CB 1.685 33.491 31.823 -0.029 0.000 1.057 5 V HN 0.691 nan 8.190 nan 0.000 0.438 6 I N 2.323 122.887 120.570 -0.008 0.000 2.321 6 I HA 0.444 4.614 4.170 -0.000 0.000 0.291 6 I C 0.953 177.134 176.117 0.106 0.000 0.998 6 I CA -0.033 61.275 61.300 0.013 0.000 1.227 6 I CB 2.066 40.065 38.000 -0.002 0.000 1.368 6 I HN 0.987 nan 8.210 nan 0.000 0.466 7 T N 0.635 115.239 114.554 0.084 0.000 3.084 7 T HA 0.444 4.794 4.350 -0.000 0.000 0.270 7 T C 0.363 175.193 174.700 0.215 0.000 1.008 7 T CA -0.404 61.764 62.100 0.112 0.000 0.900 7 T CB 0.486 69.367 68.868 0.022 0.000 1.084 7 T HN 0.740 nan 8.240 nan 0.000 0.538 8 G N 1.382 110.325 108.800 0.238 0.000 2.667 8 G HA2 0.568 4.528 3.960 -0.000 0.000 0.294 8 G HA3 0.568 4.528 3.960 -0.000 0.000 0.294 8 G C -2.116 172.832 174.900 0.079 0.000 1.467 8 G CA -0.905 44.332 45.100 0.229 0.000 0.852 8 G HN 0.686 nan 8.290 nan 0.000 0.521 9 L N -1.343 119.908 121.223 0.047 0.000 2.518 9 L HA 1.054 5.394 4.340 -0.000 0.000 0.257 9 L C -0.105 176.745 176.870 -0.033 0.000 0.980 9 L CA -0.752 54.047 54.840 -0.069 0.000 0.837 9 L CB 1.784 43.705 42.059 -0.231 0.000 1.410 9 L HN 1.355 nan 8.230 nan 0.000 0.410 10 G N 0.742 109.508 108.800 -0.056 0.000 2.718 10 G HA2 0.788 4.748 3.960 -0.000 0.000 0.295 10 G HA3 0.788 4.748 3.960 -0.000 0.000 0.295 10 G C -2.085 172.788 174.900 -0.046 0.000 1.421 10 G CA -0.632 44.444 45.100 -0.040 0.000 0.902 10 G HN 1.079 nan 8.290 nan 0.000 0.501 11 I N 0.160 120.716 120.570 -0.024 0.000 2.828 11 I HA 0.583 4.753 4.170 -0.000 0.000 0.295 11 I C -1.610 174.500 176.117 -0.012 0.000 1.459 11 I CA -0.912 60.371 61.300 -0.029 0.000 1.015 11 I CB 2.305 40.284 38.000 -0.035 0.000 1.345 11 I HN 0.388 nan 8.210 nan 0.000 0.449 12 V N 6.080 125.974 119.914 -0.033 0.000 2.445 12 V HA 0.555 4.675 4.120 -0.000 0.000 0.283 12 V C -0.305 175.706 176.094 -0.138 0.000 1.014 12 V CA -0.193 62.066 62.300 -0.068 0.000 0.852 12 V CB 1.270 33.061 31.823 -0.054 0.000 1.021 12 V HN 0.816 nan 8.190 nan 0.000 0.435 13 S N 2.298 117.946 115.700 -0.087 0.000 2.704 13 S HA 0.477 4.947 4.470 -0.000 0.000 0.296 13 S C 1.170 175.722 174.600 -0.080 0.000 1.138 13 S CA 0.097 58.251 58.200 -0.076 0.000 0.875 13 S CB 1.816 65.055 63.200 0.065 0.000 1.151 13 S HN 0.888 nan 8.310 nan 0.000 0.500 14 S N 0.378 116.039 115.700 -0.065 0.000 2.469 14 S HA -0.079 4.391 4.470 -0.000 0.000 0.238 14 S C 1.440 176.023 174.600 -0.028 0.000 0.998 14 S CA 1.036 59.201 58.200 -0.058 0.000 0.957 14 S CB -1.125 62.052 63.200 -0.037 0.000 0.764 14 S HN 1.029 nan 8.310 nan 0.000 0.514 15 I N -2.600 117.961 120.570 -0.016 0.000 3.974 15 I HA 0.659 4.829 4.170 -0.000 0.000 0.334 15 I C 0.509 176.618 176.117 -0.014 0.000 1.437 15 I CA -0.421 60.864 61.300 -0.026 0.000 1.113 15 I CB 0.205 38.164 38.000 -0.069 0.000 1.063 15 I HN 0.279 nan 8.210 nan 0.000 0.400 16 G N 1.087 109.885 108.800 -0.004 0.000 2.405 16 G HA2 0.057 4.017 3.960 -0.000 0.000 0.303 16 G HA3 0.057 4.017 3.960 -0.000 0.000 0.303 16 G C -0.799 174.101 174.900 0.000 0.000 1.644 16 G CA -0.607 44.494 45.100 0.003 0.000 0.899 16 G HN -0.002 nan 8.290 nan 0.000 0.667 17 N N 0.052 118.752 118.700 0.000 0.000 2.336 17 N HA 0.088 4.828 4.740 -0.000 0.000 0.189 17 N C 0.423 175.942 175.510 0.014 0.000 1.113 17 N CA 0.738 53.789 53.050 0.002 0.000 0.858 17 N CB 0.293 38.786 38.487 0.009 0.000 0.970 17 N HN 0.819 nan 8.380 nan 0.000 0.471 18 N N -1.665 117.046 118.700 0.019 0.000 3.116 18 N HA 0.001 4.741 4.740 -0.000 0.000 0.244 18 N C 0.376 175.906 175.510 0.033 0.000 1.485 18 N CA -0.679 52.385 53.050 0.024 0.000 0.884 18 N CB 0.502 39.004 38.487 0.024 0.000 1.415 18 N HN -0.152 nan 8.380 nan 0.000 0.524 19 Q N -1.146 118.679 119.800 0.042 0.000 2.226 19 Q HA -0.154 4.186 4.340 -0.000 0.000 0.204 19 Q C 0.723 176.747 176.000 0.040 0.000 0.975 19 Q CA 1.523 57.361 55.803 0.059 0.000 0.866 19 Q CB -0.297 28.491 28.738 0.083 0.000 0.915 19 Q HN 0.612 nan 8.270 nan 0.000 0.440 20 Q N 1.310 121.123 119.800 0.021 0.000 2.046 20 Q HA -0.127 4.213 4.340 -0.000 0.000 0.200 20 Q C 1.828 177.813 176.000 -0.025 0.000 0.975 20 Q CA 2.072 57.868 55.803 -0.011 0.000 0.836 20 Q CB -0.005 28.728 28.738 -0.008 0.000 0.896 20 Q HN 0.599 nan 8.270 nan 0.000 0.428 21 E N -0.394 119.800 120.200 -0.009 0.000 2.072 21 E HA -0.126 4.224 4.350 -0.000 0.000 0.191 21 E C 2.036 178.626 176.600 -0.016 0.000 0.985 21 E CA 1.224 57.614 56.400 -0.016 0.000 0.801 21 E CB -0.066 29.630 29.700 -0.006 0.000 0.750 21 E HN 0.102 nan 8.360 nan 0.000 0.452 22 V N 1.793 121.715 119.914 0.013 0.000 2.287 22 V HA -0.259 3.861 4.120 -0.000 0.000 0.248 22 V C 2.369 178.469 176.094 0.010 0.000 1.053 22 V CA 1.612 63.932 62.300 0.033 0.000 1.027 22 V CB -0.464 31.435 31.823 0.128 0.000 0.646 22 V HN 0.231 nan 8.190 nan 0.000 0.447 23 L N 1.044 122.272 121.223 0.007 0.000 2.012 23 L HA -0.146 4.194 4.340 -0.000 0.000 0.210 23 L C 2.420 179.211 176.870 -0.132 0.000 1.073 23 L CA 2.547 57.363 54.840 -0.040 0.000 0.748 23 L CB -1.080 40.892 42.059 -0.145 0.000 0.891 23 L HN 0.224 nan 8.230 nan 0.000 0.431 24 A N -1.392 121.355 122.820 -0.123 0.000 1.877 24 A HA -0.192 4.128 4.320 -0.000 0.000 0.216 24 A C 2.389 179.907 177.584 -0.109 0.000 1.186 24 A CA 2.039 53.996 52.037 -0.133 0.000 0.620 24 A CB -1.057 17.886 19.000 -0.095 0.000 0.822 24 A HN 0.554 nan 8.150 nan 0.000 0.443 25 S N -0.074 115.579 115.700 -0.078 0.000 2.356 25 S HA -0.125 4.345 4.470 -0.000 0.000 0.223 25 S C 1.856 176.411 174.600 -0.076 0.000 1.032 25 S CA 1.531 59.688 58.200 -0.072 0.000 1.005 25 S CB -0.526 62.632 63.200 -0.071 0.000 0.867 25 S HN 0.502 nan 8.310 nan 0.000 0.449 26 L N 0.900 122.085 121.223 -0.064 0.000 2.012 26 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 26 L C 2.727 179.624 176.870 0.045 0.000 1.073 26 L CA 1.452 56.297 54.840 0.008 0.000 0.748 26 L CB -0.484 41.667 42.059 0.153 0.000 0.891 26 L HN 0.226 nan 8.230 nan 0.000 0.431 27 R N -0.028 120.401 120.500 -0.119 0.000 2.120 27 R HA -0.151 4.189 4.340 -0.000 0.000 0.234 27 R C 1.834 178.065 176.300 -0.115 0.000 1.123 27 R CA 1.288 57.243 56.100 -0.242 0.000 0.975 27 R CB -0.151 29.873 30.300 -0.460 0.000 0.866 27 R HN 0.483 nan 8.270 nan 0.000 0.446 28 E N -0.693 119.452 120.200 -0.093 0.000 2.479 28 E HA 0.080 4.430 4.350 -0.000 0.000 0.193 28 E C 0.602 177.179 176.600 -0.040 0.000 1.049 28 E CA 0.255 56.617 56.400 -0.063 0.000 0.870 28 E CB 0.670 30.332 29.700 -0.063 0.000 0.944 28 E HN 0.452 nan 8.360 nan 0.000 0.492 29 G N 3.022 111.802 108.800 -0.033 0.000 2.283 29 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.280 29 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.280 29 G C 0.136 175.017 174.900 -0.032 0.000 1.029 29 G CA 0.533 45.617 45.100 -0.026 0.000 0.840 29 G HN 0.247 nan 8.290 nan 0.000 0.505 30 R N 0.282 120.759 120.500 -0.040 0.000 2.389 30 R HA 0.448 4.788 4.340 -0.000 0.000 0.295 30 R C 0.750 177.030 176.300 -0.033 0.000 1.075 30 R CA 0.317 56.397 56.100 -0.032 0.000 1.005 30 R CB 0.472 30.752 30.300 -0.034 0.000 0.987 30 R HN 0.265 nan 8.270 nan 0.000 0.452 31 S N 1.982 117.673 115.700 -0.015 0.000 2.565 31 S HA 0.276 4.746 4.470 -0.000 0.000 0.276 31 S C 0.836 175.440 174.600 0.007 0.000 1.326 31 S CA -0.173 58.023 58.200 -0.005 0.000 1.045 31 S CB 1.289 64.496 63.200 0.010 0.000 0.918 31 S HN 0.783 nan 8.310 nan 0.000 0.505 32 G N 3.705 112.512 108.800 0.011 0.000 3.324 32 G HA2 0.241 4.201 3.960 -0.000 0.000 0.251 32 G HA3 0.241 4.201 3.960 -0.000 0.000 0.251 32 G C 0.065 175.003 174.900 0.063 0.000 1.072 32 G CA -0.257 44.856 45.100 0.023 0.000 0.787 32 G HN 0.607 nan 8.290 nan 0.000 0.537 33 I N 2.728 123.348 120.570 0.084 0.000 2.395 33 I HA 0.385 4.555 4.170 -0.000 0.000 0.289 33 I C 0.637 176.858 176.117 0.174 0.000 1.023 33 I CA -0.273 61.113 61.300 0.143 0.000 1.350 33 I CB 0.457 38.532 38.000 0.124 0.000 1.409 33 I HN 0.088 nan 8.210 nan 0.000 0.507 34 T N 2.731 117.442 114.554 0.260 0.000 2.865 34 T HA 0.530 4.880 4.350 -0.000 0.000 0.294 34 T C -0.510 174.333 174.700 0.238 0.000 1.119 34 T CA -0.741 61.512 62.100 0.255 0.000 1.007 34 T CB 1.731 70.760 68.868 0.267 0.000 1.225 34 T HN 0.198 nan 8.240 nan 0.000 0.515 35 F N 1.692 121.683 119.950 0.069 0.000 2.484 35 F HA 0.545 5.072 4.527 -0.000 0.000 0.360 35 F C 0.489 176.194 175.800 -0.160 0.000 1.101 35 F CA -0.120 57.864 58.000 -0.026 0.000 1.251 35 F CB 0.874 39.871 39.000 -0.005 0.000 1.132 35 F HN 0.670 nan 8.300 nan 0.000 0.570 36 S N 4.897 119.772 115.700 -1.375 0.000 2.594 36 S HA 0.191 4.661 4.470 -0.000 0.000 0.322 36 S C 0.524 174.267 174.600 -1.428 0.000 1.085 36 S CA -0.656 56.658 58.200 -1.477 0.000 1.116 36 S CB 1.201 63.045 63.200 -2.259 0.000 0.979 36 S HN 0.875 nan 8.310 nan 0.000 0.465 37 Q N 3.324 122.608 119.800 -0.859 0.000 2.224 37 Q HA -0.034 4.306 4.340 -0.000 0.000 0.203 37 Q C 1.744 177.506 176.000 -0.398 0.000 0.970 37 Q CA 1.932 57.461 55.803 -0.458 0.000 0.865 37 Q CB -0.091 28.607 28.738 -0.067 0.000 0.922 37 Q HN 0.896 nan 8.270 nan 0.000 0.445 38 E N -0.465 119.499 120.200 -0.394 0.000 2.051 38 E HA -0.182 4.168 4.350 -0.000 0.000 0.192 38 E C 1.769 178.199 176.600 -0.282 0.000 0.991 38 E CA 1.225 57.488 56.400 -0.228 0.000 0.799 38 E CB -0.136 29.566 29.700 0.003 0.000 0.748 38 E HN 0.444 nan 8.360 nan 0.000 0.449 39 L N 0.671 121.622 121.223 -0.453 0.000 2.093 39 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 39 L C 2.830 179.512 176.870 -0.313 0.000 1.085 39 L CA 1.310 55.982 54.840 -0.281 0.000 0.755 39 L CB -0.459 41.404 42.059 -0.326 0.000 0.904 39 L HN 0.140 nan 8.230 nan 0.000 0.435 40 K N 0.310 120.389 120.400 -0.535 0.000 2.025 40 K HA -0.191 4.129 4.320 -0.000 0.000 0.207 40 K C 1.598 177.969 176.600 -0.382 0.000 1.049 40 K CA 1.714 57.590 56.287 -0.686 0.000 0.933 40 K CB 0.021 32.042 32.500 -0.799 0.000 0.714 40 K HN 0.183 nan 8.250 nan 0.000 0.438 41 D N 0.352 120.563 120.400 -0.316 0.000 2.263 41 D HA -0.121 4.519 4.640 -0.000 0.000 0.208 41 D C 1.841 177.956 176.300 -0.307 0.000 0.971 41 D CA 1.388 55.235 54.000 -0.256 0.000 0.867 41 D CB -0.070 40.598 40.800 -0.221 0.000 0.929 41 D HN 0.359 nan 8.370 nan 0.000 0.492 42 S N -0.899 114.584 115.700 -0.362 0.000 2.522 42 S HA 0.146 4.616 4.470 -0.000 0.000 0.227 42 S C 1.762 176.205 174.600 -0.262 0.000 0.986 42 S CA 0.843 58.760 58.200 -0.473 0.000 0.929 42 S CB 0.174 63.103 63.200 -0.452 0.000 0.769 42 S HN 0.307 nan 8.310 nan 0.000 0.529 43 G N 0.637 109.335 108.800 -0.170 0.000 2.144 43 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.218 43 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.218 43 G C -0.020 174.881 174.900 0.003 0.000 0.988 43 G CA 0.135 45.188 45.100 -0.079 0.000 0.659 43 G HN 0.489 nan 8.290 nan 0.000 0.522 44 M N -0.647 118.969 119.600 0.026 0.000 2.202 44 M HA 0.423 4.903 4.480 -0.000 0.000 0.316 44 M C 1.855 178.272 176.300 0.195 0.000 1.138 44 M CA -0.074 55.288 55.300 0.102 0.000 1.151 44 M CB 0.576 33.246 32.600 0.116 0.000 1.422 44 M HN 0.148 nan 8.290 nan 0.000 0.471 45 R N -0.403 120.163 120.500 0.110 0.000 2.223 45 R HA 0.101 4.441 4.340 -0.000 0.000 0.198 45 R C 0.380 176.585 176.300 -0.157 0.000 0.984 45 R CA 0.202 56.306 56.100 0.006 0.000 1.018 45 R CB 0.295 30.584 30.300 -0.019 0.000 0.945 45 R HN 0.547 nan 8.270 nan 0.000 0.479 46 S N 0.439 116.135 115.700 -0.007 0.000 2.452 46 S HA 0.140 4.610 4.470 -0.000 0.000 0.284 46 S C -0.122 174.548 174.600 0.116 0.000 1.171 46 S CA -0.591 57.595 58.200 -0.025 0.000 1.064 46 S CB 0.328 63.531 63.200 0.005 0.000 0.967 46 S HN 0.336 nan 8.310 nan 0.000 0.484 47 H N 3.114 122.138 119.070 -0.076 0.000 2.469 47 H HA 0.352 4.908 4.556 -0.000 0.000 0.286 47 H C -0.009 175.122 175.328 -0.327 0.000 1.106 47 H CA -0.616 55.290 56.048 -0.236 0.000 1.055 47 H CB 0.461 30.175 29.762 -0.080 0.000 1.618 47 H HN 0.460 nan 8.280 nan 0.000 0.559 48 V N -1.892 117.981 119.914 -0.069 0.000 2.962 48 V HA 0.649 4.769 4.120 -0.000 0.000 0.313 48 V C -1.459 174.714 176.094 0.131 0.000 1.099 48 V CA -0.952 61.334 62.300 -0.023 0.000 0.971 48 V CB 2.284 34.173 31.823 0.110 0.000 1.028 48 V HN 0.399 nan 8.190 nan 0.000 0.430 49 W N 1.033 122.357 121.300 0.040 0.000 3.059 49 W HA 0.817 5.477 4.660 -0.000 0.000 0.329 49 W C -0.395 176.152 176.519 0.045 0.000 1.246 49 W CA -1.637 55.735 57.345 0.046 0.000 1.190 49 W CB 0.761 30.243 29.460 0.037 0.000 1.423 49 W HN 1.075 nan 8.180 nan 0.000 0.571 50 G N 1.963 110.881 108.800 0.197 0.000 2.741 50 G HA2 0.419 4.379 3.960 -0.000 0.000 0.336 50 G HA3 0.419 4.379 3.960 -0.000 0.000 0.336 50 G C -0.538 174.249 174.900 -0.188 0.000 1.022 50 G CA -0.815 44.307 45.100 0.037 0.000 1.193 50 G HN 0.636 nan 8.290 nan 0.000 0.455 51 N N 0.166 118.682 118.700 -0.307 0.000 2.515 51 N HA 0.425 5.165 4.740 -0.000 0.000 0.279 51 N C -0.389 174.971 175.510 -0.251 0.000 1.164 51 N CA -0.900 51.867 53.050 -0.472 0.000 0.982 51 N CB 2.037 40.177 38.487 -0.579 0.000 1.170 51 N HN 0.006 nan 8.380 nan 0.000 0.474 52 V N 1.620 121.367 119.914 -0.278 0.000 2.427 52 V HA 0.047 4.167 4.120 -0.000 0.000 0.268 52 V C 0.252 176.286 176.094 -0.101 0.000 1.046 52 V CA -0.407 61.756 62.300 -0.228 0.000 0.970 52 V CB 0.421 32.006 31.823 -0.397 0.000 1.001 52 V HN 0.698 nan 8.190 nan 0.000 0.476 53 K N 6.058 126.423 120.400 -0.058 0.000 2.307 53 K HA 0.435 4.755 4.320 -0.000 0.000 0.240 53 K C -0.805 175.798 176.600 0.004 0.000 1.214 53 K CA -0.211 56.071 56.287 -0.008 0.000 1.149 53 K CB 0.186 32.688 32.500 0.005 0.000 1.668 53 K HN 0.473 nan 8.250 nan 0.000 0.314 54 L N 0.411 121.645 121.223 0.019 0.000 2.565 54 L HA 0.271 4.611 4.340 -0.000 0.000 0.261 54 L C -1.721 175.184 176.870 0.059 0.000 0.932 54 L CA -0.534 54.329 54.840 0.038 0.000 0.878 54 L CB 2.252 44.335 42.059 0.040 0.000 1.333 54 L HN 0.201 nan 8.230 nan 0.000 0.409 55 D N 1.883 122.313 120.400 0.050 0.000 2.365 55 D HA 0.282 4.922 4.640 -0.000 0.000 0.237 55 D C 0.981 177.311 176.300 0.051 0.000 1.190 55 D CA 0.524 54.553 54.000 0.048 0.000 0.867 55 D CB 1.282 42.103 40.800 0.036 0.000 1.050 55 D HN 0.684 nan 8.370 nan 0.000 0.491 56 T N 0.049 114.638 114.554 0.058 0.000 3.129 56 T HA 0.025 4.375 4.350 -0.000 0.000 0.251 56 T C 0.794 175.504 174.700 0.016 0.000 1.117 56 T CA -0.303 61.828 62.100 0.052 0.000 1.034 56 T CB -0.420 68.485 68.868 0.062 0.000 0.968 56 T HN 0.280 nan 8.240 nan 0.000 0.526 57 T N 2.599 117.158 114.554 0.009 0.000 2.831 57 T HA 0.405 4.755 4.350 -0.000 0.000 0.291 57 T C 1.504 176.198 174.700 -0.010 0.000 0.981 57 T CA 0.853 62.947 62.100 -0.010 0.000 1.174 57 T CB -0.005 68.859 68.868 -0.005 0.000 0.929 57 T HN 0.745 nan 8.240 nan 0.000 0.532 58 G N 2.798 111.581 108.800 -0.028 0.000 2.179 58 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.260 58 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.260 58 G C 0.788 175.681 174.900 -0.011 0.000 0.977 58 G CA 0.229 45.314 45.100 -0.024 0.000 0.641 58 G HN 0.692 nan 8.290 nan 0.000 0.533 59 L N -0.412 120.811 121.223 -0.001 0.000 2.492 59 L HA 0.405 4.745 4.340 -0.000 0.000 0.223 59 L C 1.149 178.039 176.870 0.033 0.000 1.132 59 L CA 0.619 55.480 54.840 0.034 0.000 0.850 59 L CB -0.004 42.094 42.059 0.066 0.000 0.966 59 L HN 0.284 nan 8.230 nan 0.000 0.454 60 I N -1.004 119.535 120.570 -0.052 0.000 2.608 60 I HA 0.174 4.344 4.170 -0.000 0.000 0.295 60 I C -0.472 175.548 176.117 -0.162 0.000 1.049 60 I CA -0.964 60.245 61.300 -0.152 0.000 1.063 60 I CB 2.313 40.087 38.000 -0.376 0.000 1.248 60 I HN -0.179 nan 8.210 nan 0.000 0.424 61 D N 3.675 123.981 120.400 -0.158 0.000 2.525 61 D HA 0.007 4.647 4.640 -0.000 0.000 0.235 61 D C 1.283 177.487 176.300 -0.160 0.000 1.137 61 D CA 0.451 54.376 54.000 -0.126 0.000 0.868 61 D CB 0.954 41.695 40.800 -0.099 0.000 1.180 61 D HN 0.403 nan 8.370 nan 0.000 0.465 62 R N 2.669 123.088 120.500 -0.134 0.000 2.112 62 R HA -0.213 4.127 4.340 -0.000 0.000 0.242 62 R C 1.755 177.937 176.300 -0.197 0.000 1.137 62 R CA 1.763 57.765 56.100 -0.163 0.000 0.944 62 R CB -0.196 30.027 30.300 -0.128 0.000 0.857 62 R HN 0.513 nan 8.270 nan 0.000 0.435 63 K N 0.126 120.449 120.400 -0.129 0.000 2.442 63 K HA -0.059 4.261 4.320 -0.000 0.000 0.198 63 K C 1.780 178.376 176.600 -0.006 0.000 1.042 63 K CA 0.811 57.052 56.287 -0.078 0.000 0.958 63 K CB 0.238 32.738 32.500 0.000 0.000 0.766 63 K HN 0.071 nan 8.250 nan 0.000 0.474 64 V N -0.363 119.497 119.914 -0.090 0.000 2.521 64 V HA -0.086 4.034 4.120 -0.000 0.000 0.239 64 V C 1.812 177.815 176.094 -0.152 0.000 1.053 64 V CA 0.736 62.988 62.300 -0.080 0.000 1.073 64 V CB 0.331 31.999 31.823 -0.259 0.000 0.746 64 V HN 0.063 nan 8.190 nan 0.000 0.476 65 V N 2.488 122.231 119.914 -0.285 0.000 2.913 65 V HA -0.195 3.925 4.120 -0.000 0.000 0.260 65 V C 2.724 178.607 176.094 -0.353 0.000 1.098 65 V CA 2.094 64.208 62.300 -0.310 0.000 1.121 65 V CB -0.695 30.951 31.823 -0.296 0.000 0.714 65 V HN 0.722 nan 8.190 nan 0.000 0.487 66 R N -0.801 119.410 120.500 -0.482 0.000 2.152 66 R HA -0.125 4.215 4.340 -0.000 0.000 0.232 66 R C 1.807 177.594 176.300 -0.856 0.000 1.117 66 R CA 2.237 57.843 56.100 -0.824 0.000 0.981 66 R CB -0.724 28.868 30.300 -1.180 0.000 0.870 66 R HN 0.515 nan 8.270 nan 0.000 0.451 67 F N 1.174 120.941 119.950 -0.305 0.000 2.754 67 F HA 0.318 4.845 4.527 -0.000 0.000 0.297 67 F C 0.825 176.490 175.800 -0.226 0.000 1.122 67 F CA -0.480 57.417 58.000 -0.171 0.000 1.400 67 F CB 0.082 39.041 39.000 -0.067 0.000 1.117 67 F HN -0.089 nan 8.300 nan 0.000 0.587 68 M N -0.114 119.406 119.600 -0.134 0.000 2.409 68 M HA 0.437 4.917 4.480 -0.000 0.000 0.329 68 M C 0.346 176.452 176.300 -0.324 0.000 1.180 68 M CA -0.716 54.473 55.300 -0.184 0.000 1.053 68 M CB 1.295 33.803 32.600 -0.155 0.000 1.586 68 M HN -0.041 nan 8.290 nan 0.000 0.461 69 S N -0.568 114.973 115.700 -0.265 0.000 2.758 69 S HA 0.348 4.818 4.470 -0.000 0.000 0.292 69 S C 0.280 174.779 174.600 -0.169 0.000 1.131 69 S CA -0.723 57.340 58.200 -0.229 0.000 0.997 69 S CB 0.990 64.146 63.200 -0.073 0.000 1.111 69 S HN 0.698 nan 8.310 nan 0.000 0.552 70 D N 1.099 121.412 120.400 -0.145 0.000 2.149 70 D HA -0.062 4.578 4.640 -0.000 0.000 0.198 70 D C 2.161 178.129 176.300 -0.554 0.000 0.990 70 D CA 1.844 55.583 54.000 -0.436 0.000 0.839 70 D CB -0.867 39.688 40.800 -0.409 0.000 0.948 70 D HN 0.674 nan 8.370 nan 0.000 0.460 71 A N 0.288 122.989 122.820 -0.199 0.000 1.940 71 A HA -0.167 4.153 4.320 -0.000 0.000 0.219 71 A C 2.428 180.007 177.584 -0.009 0.000 1.176 71 A CA 1.888 53.907 52.037 -0.029 0.000 0.631 71 A CB -0.497 18.532 19.000 0.047 0.000 0.814 71 A HN 0.175 nan 8.150 nan 0.000 0.446 72 S N -0.474 115.201 115.700 -0.043 0.000 2.406 72 S HA 0.002 4.472 4.470 -0.000 0.000 0.228 72 S C 1.764 176.385 174.600 0.034 0.000 1.020 72 S CA 1.079 59.288 58.200 0.016 0.000 0.965 72 S CB -0.387 62.807 63.200 -0.011 0.000 0.798 72 S HN 0.546 nan 8.310 nan 0.000 0.488 73 I N 0.387 120.897 120.570 -0.100 0.000 2.202 73 I HA -0.188 3.982 4.170 -0.000 0.000 0.242 73 I C 1.963 178.142 176.117 0.102 0.000 1.091 73 I CA 1.288 62.545 61.300 -0.072 0.000 1.368 73 I CB -0.417 37.444 38.000 -0.231 0.000 1.058 73 I HN 0.265 nan 8.210 nan 0.000 0.410 74 Y N 0.933 121.279 120.300 0.076 0.000 2.224 74 Y HA -0.167 4.383 4.550 -0.000 0.000 0.289 74 Y C 2.670 178.615 175.900 0.076 0.000 1.146 74 Y CA 0.730 58.868 58.100 0.063 0.000 1.182 74 Y CB -1.336 37.141 38.460 0.027 0.000 0.983 74 Y HN 0.120 nan 8.280 nan 0.000 0.524 75 A N -0.415 122.548 122.820 0.239 0.000 1.898 75 A HA -0.179 4.141 4.320 -0.000 0.000 0.216 75 A C 2.195 179.875 177.584 0.160 0.000 1.181 75 A CA 1.291 53.422 52.037 0.156 0.000 0.620 75 A CB -1.317 17.760 19.000 0.129 0.000 0.819 75 A HN 0.425 nan 8.150 nan 0.000 0.442 76 F N 0.738 120.744 119.950 0.094 0.000 2.075 76 F HA -0.165 4.362 4.527 -0.000 0.000 0.297 76 F C 1.943 177.833 175.800 0.149 0.000 1.113 76 F CA 1.929 60.024 58.000 0.158 0.000 1.218 76 F CB -0.259 38.810 39.000 0.114 0.000 0.984 76 F HN 0.139 nan 8.300 nan 0.000 0.472 77 L N -0.598 120.817 121.223 0.320 0.000 2.079 77 L HA -0.245 4.095 4.340 -0.000 0.000 0.210 77 L C 2.489 179.382 176.870 0.039 0.000 1.081 77 L CA 1.414 56.365 54.840 0.185 0.000 0.752 77 L CB -0.969 41.221 42.059 0.218 0.000 0.896 77 L HN 0.099 nan 8.230 nan 0.000 0.433 78 S N -0.506 115.215 115.700 0.035 0.000 2.383 78 S HA -0.190 4.280 4.470 -0.000 0.000 0.227 78 S C 1.921 176.450 174.600 -0.118 0.000 1.026 78 S CA 1.447 59.632 58.200 -0.025 0.000 0.981 78 S CB -0.178 63.016 63.200 -0.009 0.000 0.818 78 S HN 0.357 nan 8.310 nan 0.000 0.472 79 M N 1.316 120.784 119.600 -0.219 0.000 2.156 79 M HA -0.071 4.409 4.480 -0.000 0.000 0.264 79 M C 1.966 177.953 176.300 -0.520 0.000 1.067 79 M CA 1.360 56.377 55.300 -0.472 0.000 1.131 79 M CB -0.124 32.000 32.600 -0.794 0.000 1.368 79 M HN 0.223 nan 8.290 nan 0.000 0.416 80 E N -0.111 119.867 120.200 -0.369 0.000 2.085 80 E HA -0.276 4.074 4.350 -0.000 0.000 0.194 80 E C 2.035 178.558 176.600 -0.129 0.000 0.994 80 E CA 1.681 57.963 56.400 -0.198 0.000 0.801 80 E CB -0.199 29.456 29.700 -0.075 0.000 0.743 80 E HN 0.666 nan 8.360 nan 0.000 0.453 81 Q N 0.073 119.818 119.800 -0.093 0.000 2.061 81 Q HA -0.174 4.166 4.340 -0.000 0.000 0.204 81 Q C 2.254 178.228 176.000 -0.043 0.000 0.984 81 Q CA 1.454 57.233 55.803 -0.041 0.000 0.846 81 Q CB -0.205 28.521 28.738 -0.020 0.000 0.902 81 Q HN 0.243 nan 8.270 nan 0.000 0.421 82 A N 0.683 123.455 122.820 -0.080 0.000 1.933 82 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 82 A C 2.012 179.583 177.584 -0.022 0.000 1.175 82 A CA 1.171 53.187 52.037 -0.037 0.000 0.628 82 A CB -0.601 18.377 19.000 -0.038 0.000 0.814 82 A HN 0.316 nan 8.150 nan 0.000 0.444 83 I N -0.436 120.063 120.570 -0.119 0.000 2.252 83 I HA -0.251 3.919 4.170 -0.000 0.000 0.245 83 I C 2.953 179.055 176.117 -0.024 0.000 1.102 83 I CA 1.044 62.271 61.300 -0.120 0.000 1.385 83 I CB -0.274 37.525 38.000 -0.335 0.000 1.064 83 I HN 0.352 nan 8.210 nan 0.000 0.414 84 A N 0.165 122.976 122.820 -0.014 0.000 1.930 84 A HA -0.276 4.044 4.320 -0.000 0.000 0.217 84 A C 1.987 179.593 177.584 0.037 0.000 1.175 84 A CA 2.179 54.230 52.037 0.024 0.000 0.627 84 A CB -0.652 18.362 19.000 0.023 0.000 0.815 84 A HN 0.428 nan 8.150 nan 0.000 0.443 85 D N -0.105 120.322 120.400 0.045 0.000 2.144 85 D HA -0.013 4.627 4.640 -0.000 0.000 0.199 85 D C 1.887 178.246 176.300 0.097 0.000 0.984 85 D CA 1.474 55.524 54.000 0.083 0.000 0.834 85 D CB -0.172 40.704 40.800 0.128 0.000 0.955 85 D HN 0.328 nan 8.370 nan 0.000 0.465 86 A N -0.710 122.161 122.820 0.086 0.000 2.167 86 A HA 0.342 4.662 4.320 -0.000 0.000 0.214 86 A C 1.874 179.497 177.584 0.066 0.000 1.151 86 A CA 1.202 53.288 52.037 0.083 0.000 0.735 86 A CB -0.635 18.397 19.000 0.054 0.000 0.802 86 A HN 0.497 nan 8.150 nan 0.000 0.467 87 G N -1.150 107.686 108.800 0.060 0.000 2.176 87 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.252 87 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.252 87 G C -0.029 174.921 174.900 0.083 0.000 1.024 87 G CA 0.339 45.475 45.100 0.060 0.000 0.755 87 G HN 0.459 nan 8.290 nan 0.000 0.507 88 L N 1.554 122.839 121.223 0.103 0.000 2.305 88 L HA 0.552 4.892 4.340 -0.000 0.000 0.281 88 L C 1.176 178.204 176.870 0.265 0.000 1.085 88 L CA -0.078 54.868 54.840 0.177 0.000 0.813 88 L CB 1.489 43.651 42.059 0.172 0.000 1.157 88 L HN 0.419 nan 8.230 nan 0.000 0.436 89 S N 2.383 118.233 115.700 0.250 0.000 2.617 89 S HA 0.452 4.922 4.470 -0.000 0.000 0.283 89 S C -2.037 172.657 174.600 0.157 0.000 1.189 89 S CA -1.365 56.953 58.200 0.198 0.000 1.036 89 S CB 1.793 65.050 63.200 0.095 0.000 1.014 89 S HN 0.338 nan 8.310 nan 0.000 0.522 90 P HA -0.098 nan 4.420 nan 0.000 0.216 90 P C 0.918 178.014 177.300 -0.340 0.000 1.153 90 P CA 1.312 64.169 63.100 -0.405 0.000 0.858 90 P CB -0.045 31.542 31.700 -0.189 0.000 0.789 91 E N -0.708 119.410 120.200 -0.137 0.000 2.267 91 E HA -0.149 4.201 4.350 -0.000 0.000 0.197 91 E C 1.947 178.507 176.600 -0.066 0.000 0.998 91 E CA 1.503 57.848 56.400 -0.092 0.000 0.830 91 E CB -0.708 28.969 29.700 -0.038 0.000 0.751 91 E HN 0.244 nan 8.360 nan 0.000 0.491 92 A N -0.049 122.757 122.820 -0.024 0.000 1.956 92 A HA -0.018 4.302 4.320 -0.000 0.000 0.212 92 A C 1.829 179.477 177.584 0.106 0.000 1.188 92 A CA 0.824 52.900 52.037 0.064 0.000 0.675 92 A CB -0.325 18.756 19.000 0.135 0.000 0.845 92 A HN 0.470 nan 8.150 nan 0.000 0.455 93 Y N -0.895 119.449 120.300 0.073 0.000 2.481 93 Y HA 0.442 4.992 4.550 -0.000 0.000 0.258 93 Y C 0.791 176.727 175.900 0.061 0.000 1.103 93 Y CA -0.545 57.610 58.100 0.091 0.000 1.287 93 Y CB -0.254 38.318 38.460 0.188 0.000 1.108 93 Y HN 0.192 nan 8.280 nan 0.000 0.529 94 Q N 1.830 121.315 119.800 -0.524 0.000 2.306 94 Q HA 0.173 4.513 4.340 -0.000 0.000 0.241 94 Q C -0.209 175.611 176.000 -0.299 0.000 0.948 94 Q CA -0.259 55.312 55.803 -0.387 0.000 0.886 94 Q CB 0.510 28.962 28.738 -0.475 0.000 1.227 94 Q HN 0.500 nan 8.270 nan 0.000 0.457 95 N N 1.389 119.806 118.700 -0.471 0.000 2.716 95 N HA -0.229 4.511 4.740 -0.000 0.000 0.250 95 N C -0.900 174.369 175.510 -0.402 0.000 1.033 95 N CA 0.056 52.580 53.050 -0.877 0.000 0.727 95 N CB -0.580 37.642 38.487 -0.441 0.000 0.950 95 N HN 0.442 nan 8.380 nan 0.000 0.541 96 N N 0.414 118.995 118.700 -0.199 0.000 2.483 96 N HA 0.215 4.955 4.740 -0.000 0.000 0.267 96 N C -1.747 173.819 175.510 0.093 0.000 0.998 96 N CA -2.129 50.921 53.050 -0.001 0.000 0.918 96 N CB 1.383 39.883 38.487 0.021 0.000 1.215 96 N HN -0.091 nan 8.380 nan 0.000 0.500 97 P HA -0.054 nan 4.420 nan 0.000 0.228 97 P C 0.470 177.807 177.300 0.062 0.000 1.151 97 P CA 0.722 63.894 63.100 0.120 0.000 0.770 97 P CB 0.501 32.258 31.700 0.096 0.000 0.786 98 R N -0.299 120.224 120.500 0.039 0.000 2.334 98 R HA 0.227 4.567 4.340 -0.000 0.000 0.220 98 R C 0.197 176.474 176.300 -0.038 0.000 0.917 98 R CA -0.059 56.038 56.100 -0.006 0.000 1.073 98 R CB 0.101 30.392 30.300 -0.016 0.000 1.056 98 R HN 0.151 nan 8.270 nan 0.000 0.506 99 V N 0.260 120.181 119.914 0.012 0.000 2.444 99 V HA 0.640 4.760 4.120 -0.000 0.000 0.294 99 V C 0.456 176.587 176.094 0.062 0.000 1.022 99 V CA -0.802 61.508 62.300 0.017 0.000 0.850 99 V CB 1.726 33.621 31.823 0.119 0.000 0.992 99 V HN 0.277 nan 8.190 nan 0.000 0.426 100 G N 3.177 111.983 108.800 0.010 0.000 3.042 100 G HA2 0.812 4.772 3.960 -0.000 0.000 0.278 100 G HA3 0.812 4.772 3.960 -0.000 0.000 0.278 100 G C -1.819 173.119 174.900 0.063 0.000 1.371 100 G CA -0.760 44.351 45.100 0.018 0.000 1.009 100 G HN 0.686 nan 8.290 nan 0.000 0.523 101 L N -0.473 120.743 121.223 -0.010 0.000 2.505 101 L HA 0.736 5.076 4.340 -0.000 0.000 0.266 101 L C -1.463 175.332 176.870 -0.125 0.000 0.954 101 L CA -0.530 54.316 54.840 0.010 0.000 0.852 101 L CB 1.759 43.849 42.059 0.051 0.000 1.282 101 L HN 0.440 nan 8.230 nan 0.000 0.403 102 I N 5.364 125.875 120.570 -0.098 0.000 2.476 102 I HA 0.812 4.982 4.170 -0.000 0.000 0.281 102 I C -0.541 175.572 176.117 -0.006 0.000 1.040 102 I CA -0.381 60.851 61.300 -0.114 0.000 1.094 102 I CB 1.619 39.544 38.000 -0.127 0.000 1.219 102 I HN 0.824 nan 8.210 nan 0.000 0.450 103 A N 4.230 127.070 122.820 0.035 0.000 2.574 103 A HA 0.969 5.289 4.320 -0.000 0.000 0.297 103 A C -0.715 176.918 177.584 0.081 0.000 1.062 103 A CA -0.392 51.676 52.037 0.052 0.000 0.686 103 A CB 1.930 20.952 19.000 0.037 0.000 1.285 103 A HN 0.753 nan 8.150 nan 0.000 0.403 104 G N -0.398 108.451 108.800 0.083 0.000 2.782 104 G HA2 0.840 4.800 3.960 -0.000 0.000 0.304 104 G HA3 0.840 4.800 3.960 -0.000 0.000 0.304 104 G C -0.561 174.391 174.900 0.085 0.000 1.315 104 G CA 0.234 45.388 45.100 0.091 0.000 0.791 104 G HN 1.949 nan 8.290 nan 0.000 0.519 105 S N -2.015 113.738 115.700 0.088 0.000 2.627 105 S HA 0.670 5.140 4.470 -0.000 0.000 0.283 105 S C 0.985 175.643 174.600 0.097 0.000 1.127 105 S CA 0.282 58.535 58.200 0.088 0.000 0.863 105 S CB 1.524 64.774 63.200 0.084 0.000 1.121 105 S HN 1.516 nan 8.310 nan 0.000 0.479 106 G N 0.006 108.868 108.800 0.103 0.000 2.408 106 G HA2 0.322 4.282 3.960 -0.000 0.000 0.215 106 G HA3 0.322 4.282 3.960 -0.000 0.000 0.215 106 G C 0.864 175.836 174.900 0.119 0.000 1.156 106 G CA 0.416 45.590 45.100 0.124 0.000 0.793 106 G HN 1.255 nan 8.290 nan 0.000 0.535 107 G N -1.240 107.626 108.800 0.110 0.000 3.695 107 G HA2 0.472 4.432 3.960 -0.000 0.000 0.277 107 G HA3 0.472 4.432 3.960 -0.000 0.000 0.277 107 G C 1.031 175.976 174.900 0.075 0.000 1.001 107 G CA 0.812 45.968 45.100 0.093 0.000 0.837 107 G HN 1.090 nan 8.290 nan 0.000 0.492 108 G N 0.519 109.365 108.800 0.076 0.000 2.601 108 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.306 108 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.306 108 G C 0.460 175.406 174.900 0.076 0.000 1.172 108 G CA 0.808 45.950 45.100 0.070 0.000 0.966 108 G HN 1.460 nan 8.290 nan 0.000 0.542 109 S N 1.478 117.229 115.700 0.086 0.000 2.312 109 S HA 0.636 5.106 4.470 -0.000 0.000 0.173 109 S C -1.468 173.188 174.600 0.094 0.000 1.488 109 S CA 0.119 58.389 58.200 0.115 0.000 1.239 109 S CB 1.660 64.979 63.200 0.198 0.000 1.215 109 S HN 0.262 nan 8.310 nan 0.000 0.438 110 P HA -0.085 nan 4.420 nan 0.000 0.218 110 P C 1.514 178.772 177.300 -0.070 0.000 1.148 110 P CA 0.609 63.694 63.100 -0.025 0.000 0.822 110 P CB 0.144 31.805 31.700 -0.064 0.000 0.784 111 R N -0.735 119.710 120.500 -0.092 0.000 2.080 111 R HA -0.134 4.206 4.340 -0.000 0.000 0.236 111 R C 1.851 178.046 176.300 -0.176 0.000 1.137 111 R CA 1.762 57.740 56.100 -0.204 0.000 0.943 111 R CB -1.010 29.137 30.300 -0.254 0.000 0.846 111 R HN 0.089 nan 8.270 nan 0.000 0.431 112 F N 0.839 120.808 119.950 0.032 0.000 2.502 112 F HA -0.023 4.504 4.527 -0.000 0.000 0.298 112 F C 2.602 178.508 175.800 0.176 0.000 1.111 112 F CA 0.708 58.784 58.000 0.126 0.000 1.445 112 F CB 0.065 39.099 39.000 0.058 0.000 1.081 112 F HN 0.117 nan 8.300 nan 0.000 0.558 113 Q N -0.093 119.834 119.800 0.210 0.000 2.049 113 Q HA -0.107 4.233 4.340 -0.000 0.000 0.198 113 Q C 2.577 178.626 176.000 0.081 0.000 0.971 113 Q CA 1.422 57.305 55.803 0.133 0.000 0.833 113 Q CB -0.684 28.098 28.738 0.073 0.000 0.896 113 Q HN 0.281 nan 8.270 nan 0.000 0.434 114 V N 1.188 121.122 119.914 0.033 0.000 2.515 114 V HA -0.218 3.902 4.120 -0.000 0.000 0.250 114 V C 2.050 178.161 176.094 0.028 0.000 1.058 114 V CA 1.543 63.843 62.300 0.001 0.000 1.064 114 V CB -0.787 30.997 31.823 -0.065 0.000 0.675 114 V HN 0.244 nan 8.190 nan 0.000 0.461 115 F N 2.348 122.260 119.950 -0.063 0.000 2.102 115 F HA -0.017 4.510 4.527 0.000 0.000 0.298 115 F C 2.187 177.999 175.800 0.019 0.000 1.105 115 F CA 1.720 59.689 58.000 -0.051 0.000 1.239 115 F CB -0.958 37.962 39.000 -0.132 0.000 0.991 115 F HN 0.125 nan 8.300 nan 0.000 0.474 116 G N -0.034 108.688 108.800 -0.129 0.000 2.446 116 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.217 116 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.217 116 G C 1.829 176.605 174.900 -0.206 0.000 1.168 116 G CA 1.044 46.020 45.100 -0.206 0.000 0.771 116 G HN 0.659 nan 8.290 nan 0.000 0.551 117 A N 0.917 123.674 122.820 -0.106 0.000 1.902 117 A HA -0.039 4.281 4.320 -0.000 0.000 0.217 117 A C 2.112 179.634 177.584 -0.104 0.000 1.181 117 A CA 2.139 54.129 52.037 -0.078 0.000 0.623 117 A CB -0.438 18.542 19.000 -0.034 0.000 0.818 117 A HN 0.281 nan 8.150 nan 0.000 0.443 118 D N 0.047 120.373 120.400 -0.125 0.000 2.117 118 D HA -0.043 4.597 4.640 -0.000 0.000 0.197 118 D C 2.217 178.421 176.300 -0.160 0.000 0.987 118 D CA 1.570 55.507 54.000 -0.106 0.000 0.829 118 D CB -0.377 40.383 40.800 -0.067 0.000 0.961 118 D HN 0.421 nan 8.370 nan 0.000 0.460 119 A N 0.415 123.047 122.820 -0.312 0.000 1.897 119 A HA -0.121 4.199 4.320 -0.000 0.000 0.215 119 A C 2.111 179.590 177.584 -0.175 0.000 1.181 119 A CA 1.439 53.293 52.037 -0.304 0.000 0.620 119 A CB -0.499 18.155 19.000 -0.577 0.000 0.821 119 A HN 0.146 nan 8.150 nan 0.000 0.443 120 M N -0.017 119.486 119.600 -0.163 0.000 2.202 120 M HA -0.089 4.391 4.480 -0.000 0.000 0.262 120 M C 1.765 178.026 176.300 -0.064 0.000 1.063 120 M CA 1.507 56.751 55.300 -0.094 0.000 1.097 120 M CB -0.490 32.064 32.600 -0.076 0.000 1.382 120 M HN 0.356 nan 8.290 nan 0.000 0.413 121 R N -0.128 120.334 120.500 -0.064 0.000 2.307 121 R HA 0.219 4.559 4.340 -0.000 0.000 0.199 121 R C 1.179 177.458 176.300 -0.035 0.000 1.000 121 R CA 0.409 56.484 56.100 -0.041 0.000 1.023 121 R CB -0.519 29.762 30.300 -0.033 0.000 0.908 121 R HN 0.467 nan 8.270 nan 0.000 0.473 122 G N 0.952 109.726 108.800 -0.045 0.000 2.588 122 G HA2 0.115 4.075 3.960 -0.000 0.000 0.281 122 G HA3 0.115 4.075 3.960 -0.000 0.000 0.281 122 G C -1.460 173.426 174.900 -0.024 0.000 1.236 122 G CA -1.045 44.036 45.100 -0.032 0.000 0.969 122 G HN -0.046 nan 8.290 nan 0.000 0.504 123 P HA -0.039 nan 4.420 nan 0.000 0.221 123 P C 1.382 178.675 177.300 -0.011 0.000 1.150 123 P CA 0.551 63.645 63.100 -0.011 0.000 0.800 123 P CB 0.321 32.018 31.700 -0.006 0.000 0.787 124 R N -0.374 120.119 120.500 -0.012 0.000 2.236 124 R HA 0.087 4.427 4.340 -0.000 0.000 0.208 124 R C 1.764 178.055 176.300 -0.015 0.000 1.036 124 R CA 0.924 57.019 56.100 -0.009 0.000 1.001 124 R CB -0.964 29.334 30.300 -0.003 0.000 0.896 124 R HN 0.250 nan 8.270 nan 0.000 0.464 125 G N 1.477 110.261 108.800 -0.026 0.000 2.611 125 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.301 125 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.301 125 G C 0.948 175.828 174.900 -0.032 0.000 1.233 125 G CA 0.445 45.526 45.100 -0.030 0.000 0.993 125 G HN 0.273 nan 8.290 nan 0.000 0.553 126 L N 0.454 121.663 121.223 -0.023 0.000 2.129 126 L HA -0.130 4.210 4.340 -0.000 0.000 0.212 126 L C 2.978 179.843 176.870 -0.008 0.000 1.087 126 L CA 2.288 57.117 54.840 -0.018 0.000 0.757 126 L CB -0.520 41.531 42.059 -0.013 0.000 0.896 126 L HN 0.554 nan 8.230 nan 0.000 0.434 127 K N 0.007 120.404 120.400 -0.005 0.000 2.147 127 K HA -0.113 4.207 4.320 -0.000 0.000 0.205 127 K C 2.186 178.799 176.600 0.023 0.000 1.049 127 K CA 1.271 57.563 56.287 0.008 0.000 0.936 127 K CB -0.199 32.305 32.500 0.007 0.000 0.722 127 K HN 0.318 nan 8.250 nan 0.000 0.446 128 A N 0.746 123.569 122.820 0.006 0.000 1.975 128 A HA -0.025 4.295 4.320 -0.000 0.000 0.215 128 A C 2.269 179.861 177.584 0.013 0.000 1.170 128 A CA 0.688 52.732 52.037 0.011 0.000 0.656 128 A CB -0.221 18.759 19.000 -0.035 0.000 0.821 128 A HN 0.037 nan 8.150 nan 0.000 0.449 129 V N -0.428 119.470 119.914 -0.026 0.000 2.358 129 V HA 0.197 4.317 4.120 -0.000 0.000 0.246 129 V C 1.587 177.782 176.094 0.169 0.000 1.047 129 V CA 1.183 63.476 62.300 -0.012 0.000 1.035 129 V CB -1.791 30.013 31.823 -0.032 0.000 0.658 129 V HN 1.189 nan 8.190 nan 0.000 0.452 130 G N 0.625 109.489 108.800 0.106 0.000 2.781 130 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.683 130 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.683 130 G C -1.778 173.130 174.900 0.013 0.000 1.390 130 G CA -0.091 45.067 45.100 0.096 0.000 0.850 130 G HN 0.308 nan 8.290 nan 0.000 0.557 131 P HA 0.258 nan 4.420 nan 0.000 0.258 131 P C 0.128 177.210 177.300 -0.365 0.000 1.416 131 P CA 0.488 63.424 63.100 -0.273 0.000 0.927 131 P CB 0.013 31.490 31.700 -0.371 0.000 1.444 132 Y N -1.464 118.857 120.300 0.034 0.000 2.445 132 Y HA 0.085 4.635 4.550 -0.000 0.000 0.247 132 Y C 2.307 178.212 175.900 0.009 0.000 1.129 132 Y CA -0.002 58.093 58.100 -0.008 0.000 1.251 132 Y CB -0.312 38.059 38.460 -0.147 0.000 1.176 132 Y HN -0.276 nan 8.280 nan 0.000 0.522 133 V N -1.015 119.019 119.914 0.200 0.000 2.490 133 V HA -0.248 3.872 4.120 -0.000 0.000 0.250 133 V C 2.116 178.292 176.094 0.136 0.000 1.061 133 V CA 1.596 64.020 62.300 0.206 0.000 1.064 133 V CB -0.814 31.182 31.823 0.288 0.000 0.670 133 V HN 0.215 nan 8.190 nan 0.000 0.461 134 V N 1.186 121.167 119.914 0.111 0.000 2.255 134 V HA -0.296 3.824 4.120 -0.000 0.000 0.247 134 V C 2.832 178.973 176.094 0.079 0.000 1.051 134 V CA 2.739 65.090 62.300 0.085 0.000 1.018 134 V CB -1.330 30.532 31.823 0.065 0.000 0.641 134 V HN 0.823 nan 8.190 nan 0.000 0.445 135 T N -1.930 112.687 114.554 0.105 0.000 2.915 135 T HA -0.171 4.179 4.350 -0.000 0.000 0.269 135 T C 1.712 176.433 174.700 0.035 0.000 1.071 135 T CA 1.323 63.476 62.100 0.088 0.000 1.132 135 T CB -0.265 68.709 68.868 0.177 0.000 0.878 135 T HN 0.493 nan 8.240 nan 0.000 0.479 136 K N 0.949 121.339 120.400 -0.016 0.000 2.186 136 K HA 0.359 4.679 4.320 -0.000 0.000 0.202 136 K C 2.678 179.277 176.600 -0.002 0.000 1.052 136 K CA 0.867 57.074 56.287 -0.133 0.000 0.965 136 K CB -0.134 32.073 32.500 -0.488 0.000 0.746 136 K HN 0.420 nan 8.250 nan 0.000 0.457 137 A N 2.072 124.933 122.820 0.068 0.000 1.943 137 A HA 0.055 4.375 4.320 -0.000 0.000 0.213 137 A C 1.297 178.925 177.584 0.073 0.000 1.181 137 A CA 0.034 52.133 52.037 0.105 0.000 0.653 137 A CB -0.444 18.635 19.000 0.131 0.000 0.833 137 A HN 0.327 nan 8.150 nan 0.000 0.451 138 M N -1.354 118.281 119.600 0.059 0.000 2.246 138 M HA 0.369 4.849 4.480 -0.000 0.000 0.327 138 M C 0.932 177.262 176.300 0.050 0.000 1.090 138 M CA 0.530 55.860 55.300 0.050 0.000 1.087 138 M CB 0.339 32.964 32.600 0.043 0.000 1.587 138 M HN 0.091 nan 8.290 nan 0.000 0.444 139 A N 1.989 124.838 122.820 0.049 0.000 2.067 139 A HA -0.082 4.238 4.320 -0.000 0.000 0.219 139 A C 2.059 179.679 177.584 0.060 0.000 1.158 139 A CA 1.689 53.758 52.037 0.054 0.000 0.661 139 A CB -0.892 18.137 19.000 0.049 0.000 0.801 139 A HN 1.014 nan 8.150 nan 0.000 0.452 140 S N -0.907 114.827 115.700 0.057 0.000 2.631 140 S HA 0.246 4.716 4.470 -0.000 0.000 0.217 140 S C 1.725 176.360 174.600 0.059 0.000 0.958 140 S CA 0.605 58.845 58.200 0.067 0.000 0.920 140 S CB -0.425 62.815 63.200 0.067 0.000 0.776 140 S HN 0.582 nan 8.310 nan 0.000 0.517 141 G N 2.362 111.191 108.800 0.050 0.000 2.513 141 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.219 141 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.219 141 G C 1.324 176.252 174.900 0.046 0.000 1.160 141 G CA 1.339 46.463 45.100 0.039 0.000 0.767 141 G HN 0.482 nan 8.290 nan 0.000 0.571 142 V N 1.692 121.641 119.914 0.058 0.000 2.287 142 V HA -0.224 3.896 4.120 -0.000 0.000 0.248 142 V C 3.280 179.422 176.094 0.080 0.000 1.053 142 V CA 2.575 64.917 62.300 0.071 0.000 1.027 142 V CB -0.562 31.306 31.823 0.075 0.000 0.646 142 V HN 0.657 nan 8.190 nan 0.000 0.447 143 S N 0.731 116.476 115.700 0.075 0.000 2.377 143 S HA -0.046 4.424 4.470 -0.000 0.000 0.223 143 S C 2.137 176.777 174.600 0.066 0.000 1.030 143 S CA 1.090 59.332 58.200 0.070 0.000 0.970 143 S CB -0.499 62.744 63.200 0.070 0.000 0.830 143 S HN 0.542 nan 8.310 nan 0.000 0.473 144 A N 1.002 123.853 122.820 0.053 0.000 1.877 144 A HA -0.080 4.240 4.320 -0.000 0.000 0.216 144 A C 2.406 179.997 177.584 0.013 0.000 1.186 144 A CA 1.599 53.650 52.037 0.025 0.000 0.620 144 A CB -1.537 17.467 19.000 0.006 0.000 0.822 144 A HN 0.701 nan 8.150 nan 0.000 0.443 145 C N -1.283 118.035 119.300 0.030 0.000 2.472 145 C HA 0.130 4.590 4.460 -0.000 0.000 0.278 145 C C 2.289 177.347 174.990 0.114 0.000 1.447 145 C CA 0.759 59.797 59.018 0.034 0.000 1.773 145 C CB -1.300 26.461 27.740 0.035 0.000 1.793 145 C HN 0.536 nan 8.230 nan 0.000 0.544 146 L N 0.241 121.569 121.223 0.175 0.000 2.388 146 L HA 0.261 4.601 4.340 -0.000 0.000 0.209 146 L C 2.612 179.661 176.870 0.298 0.000 1.061 146 L CA 1.438 56.475 54.840 0.329 0.000 0.834 146 L CB -1.014 41.222 42.059 0.295 0.000 1.029 146 L HN 0.156 nan 8.230 nan 0.000 0.473 147 A N -0.859 122.062 122.820 0.168 0.000 1.908 147 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 147 A C 2.319 179.981 177.584 0.129 0.000 1.181 147 A CA 2.502 54.625 52.037 0.144 0.000 0.627 147 A CB -0.982 18.071 19.000 0.088 0.000 0.818 147 A HN 0.391 nan 8.150 nan 0.000 0.445 148 T N 0.275 114.870 114.554 0.068 0.000 2.643 148 T HA -0.063 4.287 4.350 -0.000 0.000 0.264 148 T C 0.002 174.714 174.700 0.021 0.000 1.045 148 T CA 1.845 63.958 62.100 0.022 0.000 1.155 148 T CB -1.163 67.668 68.868 -0.061 0.000 0.863 148 T HN 0.393 nan 8.240 nan 0.000 0.420 149 P HA -0.034 nan 4.420 nan 0.000 0.215 149 P C 0.799 177.989 177.300 -0.183 0.000 1.153 149 P CA 1.097 64.129 63.100 -0.113 0.000 0.853 149 P CB -0.179 31.449 31.700 -0.120 0.000 0.788 150 F N -0.806 119.200 119.950 0.093 0.000 2.773 150 F HA 0.125 4.652 4.527 -0.000 0.000 0.304 150 F C 0.676 176.531 175.800 0.091 0.000 1.129 150 F CA 0.008 58.060 58.000 0.087 0.000 1.378 150 F CB -0.381 38.602 39.000 -0.029 0.000 1.095 150 F HN -0.258 nan 8.300 nan 0.000 0.565 151 K N 0.685 121.179 120.400 0.157 0.000 3.148 151 K HA -0.199 4.121 4.320 -0.000 0.000 0.267 151 K C -0.424 176.233 176.600 0.096 0.000 0.996 151 K CA 0.353 56.688 56.287 0.080 0.000 0.737 151 K CB -2.190 30.287 32.500 -0.038 0.000 1.308 151 K HN 0.219 nan 8.250 nan 0.000 0.470 152 I N 1.114 121.798 120.570 0.190 0.000 2.496 152 I HA 0.048 4.218 4.170 -0.000 0.000 0.285 152 I C 1.965 178.251 176.117 0.282 0.000 1.080 152 I CA 0.236 61.659 61.300 0.206 0.000 1.404 152 I CB 0.465 38.577 38.000 0.187 0.000 1.403 152 I HN 0.283 nan 8.210 nan 0.000 0.539 153 H N 3.235 122.350 119.070 0.074 0.000 2.885 153 H HA 0.164 4.720 4.556 -0.000 0.000 0.260 153 H C 1.378 176.724 175.328 0.031 0.000 0.985 153 H CA 0.051 56.125 56.048 0.043 0.000 1.210 153 H CB 1.392 31.176 29.762 0.036 0.000 1.466 153 H HN 0.765 nan 8.280 nan 0.000 0.493 154 G N 0.765 109.655 108.800 0.150 0.000 2.624 154 G HA2 0.131 4.091 3.960 -0.000 0.000 0.217 154 G HA3 0.131 4.091 3.960 -0.000 0.000 0.217 154 G C -0.202 174.711 174.900 0.021 0.000 1.506 154 G CA -0.361 44.779 45.100 0.066 0.000 1.072 154 G HN 0.085 nan 8.290 nan 0.000 0.568 155 V N 0.885 120.779 119.914 -0.033 0.000 2.763 155 V HA 0.341 4.461 4.120 -0.000 0.000 0.306 155 V C -0.324 175.658 176.094 -0.188 0.000 1.059 155 V CA 0.335 62.565 62.300 -0.117 0.000 1.138 155 V CB 1.065 32.769 31.823 -0.197 0.000 0.940 155 V HN 0.832 nan 8.190 nan 0.000 0.489 156 N N 5.446 124.013 118.700 -0.222 0.000 2.699 156 N HA 0.470 5.210 4.740 -0.000 0.000 0.271 156 N C -1.252 174.224 175.510 -0.056 0.000 1.216 156 N CA -0.415 52.541 53.050 -0.157 0.000 0.844 156 N CB 1.035 39.516 38.487 -0.011 0.000 1.462 156 N HN 0.733 nan 8.380 nan 0.000 0.555 157 Y N -1.172 119.151 120.300 0.038 0.000 2.779 157 Y HA 0.656 5.206 4.550 -0.000 0.000 0.340 157 Y C -1.412 174.509 175.900 0.035 0.000 1.252 157 Y CA -1.250 56.869 58.100 0.032 0.000 1.072 157 Y CB 0.555 39.029 38.460 0.024 0.000 1.343 157 Y HN 0.118 nan 8.280 nan 0.000 0.450 158 S N 1.627 117.538 115.700 0.352 0.000 2.478 158 S HA 0.637 5.107 4.470 -0.000 0.000 0.312 158 S C -0.849 173.876 174.600 0.208 0.000 1.094 158 S CA -0.642 57.696 58.200 0.231 0.000 1.081 158 S CB 0.918 64.201 63.200 0.139 0.000 1.007 158 S HN 0.500 nan 8.310 nan 0.000 0.475 159 I N 3.171 123.859 120.570 0.196 0.000 2.359 159 I HA 0.400 4.570 4.170 -0.000 0.000 0.294 159 I C 0.262 176.451 176.117 0.121 0.000 0.987 159 I CA -0.255 61.125 61.300 0.134 0.000 1.225 159 I CB 1.596 39.689 38.000 0.155 0.000 1.366 159 I HN 0.645 nan 8.210 nan 0.000 0.466 160 S N 3.216 118.973 115.700 0.096 0.000 2.526 160 S HA 0.726 5.196 4.470 -0.000 0.000 0.293 160 S C -0.249 174.425 174.600 0.124 0.000 1.092 160 S CA -0.482 57.785 58.200 0.111 0.000 0.980 160 S CB 1.808 65.063 63.200 0.091 0.000 1.048 160 S HN 0.669 nan 8.310 nan 0.000 0.483 161 S N 0.646 116.449 115.700 0.171 0.000 2.552 161 S HA 0.604 5.074 4.470 -0.000 0.000 0.183 161 S C 0.587 175.323 174.600 0.226 0.000 0.841 161 S CA -0.155 58.168 58.200 0.206 0.000 1.048 161 S CB -0.685 62.705 63.200 0.316 0.000 1.714 161 S HN 2.350 nan 8.310 nan 0.000 0.488 162 A N 0.789 123.740 122.820 0.219 0.000 5.391 162 A HA -0.347 3.973 4.320 -0.000 0.000 0.315 162 A C 1.667 179.394 177.584 0.237 0.000 1.874 162 A CA 1.314 53.517 52.037 0.277 0.000 0.714 162 A CB -2.255 16.997 19.000 0.420 0.000 1.335 162 A HN 1.649 nan 8.150 nan 0.000 0.382 163 C N 0.225 119.692 119.300 0.278 0.000 2.466 163 C HA 0.369 4.829 4.460 -0.000 0.000 0.283 163 C C 2.610 177.676 174.990 0.127 0.000 1.472 163 C CA 1.115 60.291 59.018 0.264 0.000 1.765 163 C CB -1.979 26.004 27.740 0.405 0.000 1.724 163 C HN 1.436 nan 8.230 nan 0.000 0.560 164 A N 0.113 122.989 122.820 0.095 0.000 2.343 164 A HA 0.150 4.470 4.320 -0.000 0.000 0.223 164 A C 1.898 179.510 177.584 0.047 0.000 1.214 164 A CA 0.804 52.831 52.037 -0.017 0.000 0.900 164 A CB -0.599 18.362 19.000 -0.066 0.000 0.942 164 A HN 0.422 nan 8.150 nan 0.000 0.507 165 T N 1.612 116.251 114.554 0.141 0.000 2.493 165 T HA -0.282 4.068 4.350 -0.000 0.000 0.256 165 T C 2.246 177.012 174.700 0.110 0.000 1.195 165 T CA 2.827 65.021 62.100 0.155 0.000 1.183 165 T CB -0.620 68.324 68.868 0.128 0.000 0.863 165 T HN 0.815 nan 8.240 nan 0.000 0.418 166 S N 1.571 117.303 115.700 0.054 0.000 2.474 166 S HA 0.145 4.615 4.470 -0.000 0.000 0.235 166 S C 2.222 176.809 174.600 -0.022 0.000 0.997 166 S CA 0.825 59.035 58.200 0.017 0.000 0.949 166 S CB -0.452 62.744 63.200 -0.007 0.000 0.766 166 S HN 0.581 nan 8.310 nan 0.000 0.517 167 A N 1.781 124.572 122.820 -0.049 0.000 1.874 167 A HA 0.045 4.365 4.320 -0.000 0.000 0.214 167 A C 1.929 179.471 177.584 -0.070 0.000 1.189 167 A CA 1.221 53.196 52.037 -0.104 0.000 0.615 167 A CB -1.038 17.855 19.000 -0.178 0.000 0.830 167 A HN 0.665 nan 8.150 nan 0.000 0.443 168 H N -1.529 117.570 119.070 0.048 0.000 2.421 168 H HA -0.131 4.425 4.556 -0.000 0.000 0.298 168 H C 2.184 177.499 175.328 -0.021 0.000 1.087 168 H CA 1.204 57.300 56.048 0.080 0.000 1.330 168 H CB -0.152 29.690 29.762 0.134 0.000 1.388 168 H HN 0.536 nan 8.280 nan 0.000 0.526 169 C N 0.262 119.626 119.300 0.106 0.000 2.432 169 C HA -0.146 4.314 4.460 -0.000 0.000 0.277 169 C C 2.688 177.644 174.990 -0.056 0.000 1.249 169 C CA 0.817 59.864 59.018 0.049 0.000 1.725 169 C CB -0.814 26.952 27.740 0.044 0.000 2.028 169 C HN 0.535 nan 8.230 nan 0.000 0.477 170 I N 1.048 121.552 120.570 -0.110 0.000 2.226 170 I HA -0.131 4.039 4.170 -0.000 0.000 0.245 170 I C 2.701 178.622 176.117 -0.328 0.000 1.100 170 I CA 1.796 62.987 61.300 -0.180 0.000 1.374 170 I CB -0.910 36.990 38.000 -0.167 0.000 1.057 170 I HN 0.464 nan 8.210 nan 0.000 0.413 171 G N 0.347 108.798 108.800 -0.581 0.000 2.418 171 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.217 171 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.217 171 G C 1.406 175.909 174.900 -0.663 0.000 1.158 171 G CA 1.057 45.332 45.100 -1.375 0.000 0.771 171 G HN 0.458 nan 8.290 nan 0.000 0.545 172 N N 0.538 119.080 118.700 -0.263 0.000 2.223 172 N HA -0.039 4.701 4.740 -0.000 0.000 0.185 172 N C 2.505 177.985 175.510 -0.049 0.000 1.016 172 N CA 0.835 53.869 53.050 -0.026 0.000 0.863 172 N CB -0.134 38.418 38.487 0.108 0.000 0.983 172 N HN 0.278 nan 8.380 nan 0.000 0.429 173 A N 0.444 123.200 122.820 -0.106 0.000 1.933 173 A HA -0.070 4.250 4.320 -0.000 0.000 0.218 173 A C 2.299 179.816 177.584 -0.111 0.000 1.175 173 A CA 1.040 53.010 52.037 -0.111 0.000 0.628 173 A CB -0.629 18.291 19.000 -0.133 0.000 0.814 173 A HN 0.196 nan 8.150 nan 0.000 0.444 174 V N 0.258 120.088 119.914 -0.140 0.000 2.343 174 V HA -0.270 3.850 4.120 -0.000 0.000 0.247 174 V C 2.351 178.421 176.094 -0.041 0.000 1.051 174 V CA 2.262 64.503 62.300 -0.099 0.000 1.036 174 V CB -0.894 30.858 31.823 -0.118 0.000 0.654 174 V HN 0.657 nan 8.190 nan 0.000 0.451 175 E N -0.445 119.746 120.200 -0.015 0.000 2.153 175 E HA -0.245 4.105 4.350 -0.000 0.000 0.194 175 E C 2.341 178.950 176.600 0.015 0.000 0.988 175 E CA 1.015 57.436 56.400 0.035 0.000 0.811 175 E CB -0.156 29.593 29.700 0.083 0.000 0.746 175 E HN 0.552 nan 8.360 nan 0.000 0.466 176 Q N 0.203 120.000 119.800 -0.006 0.000 2.084 176 Q HA -0.142 4.198 4.340 -0.000 0.000 0.202 176 Q C 2.239 178.222 176.000 -0.027 0.000 0.978 176 Q CA 1.049 56.844 55.803 -0.014 0.000 0.844 176 Q CB -0.154 28.561 28.738 -0.037 0.000 0.898 176 Q HN 0.301 nan 8.270 nan 0.000 0.426 177 I N 0.983 121.527 120.570 -0.043 0.000 2.286 177 I HA -0.228 3.942 4.170 -0.000 0.000 0.245 177 I C 2.337 178.442 176.117 -0.020 0.000 1.104 177 I CA 1.216 62.489 61.300 -0.045 0.000 1.397 177 I CB -0.462 37.502 38.000 -0.062 0.000 1.072 177 I HN 0.183 nan 8.210 nan 0.000 0.417 178 Q N -0.591 119.204 119.800 -0.008 0.000 2.170 178 Q HA -0.162 4.178 4.340 -0.000 0.000 0.203 178 Q C 1.911 177.915 176.000 0.008 0.000 0.976 178 Q CA 1.053 56.859 55.803 0.006 0.000 0.858 178 Q CB -0.229 28.521 28.738 0.019 0.000 0.907 178 Q HN 0.295 nan 8.270 nan 0.000 0.433 179 L N -0.434 120.794 121.223 0.009 0.000 2.552 179 L HA 0.082 4.422 4.340 -0.000 0.000 0.227 179 L C 1.226 178.099 176.870 0.006 0.000 1.146 179 L CA 1.551 56.398 54.840 0.011 0.000 0.858 179 L CB -0.556 41.513 42.059 0.017 0.000 0.969 179 L HN 0.404 nan 8.230 nan 0.000 0.451 180 G N -0.881 107.919 108.800 -0.001 0.000 2.155 180 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.257 180 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.257 180 G C 1.403 176.300 174.900 -0.004 0.000 0.983 180 G CA 0.813 45.911 45.100 -0.002 0.000 0.676 180 G HN 0.418 nan 8.290 nan 0.000 0.528 181 K N -0.838 119.558 120.400 -0.006 0.000 2.243 181 K HA 0.111 4.431 4.320 -0.000 0.000 0.201 181 K C 0.934 177.523 176.600 -0.019 0.000 1.051 181 K CA 0.780 57.064 56.287 -0.004 0.000 0.970 181 K CB 0.087 32.590 32.500 0.005 0.000 0.755 181 K HN 0.429 nan 8.250 nan 0.000 0.465 182 Q N -0.211 119.564 119.800 -0.041 0.000 2.389 182 Q HA 0.148 4.488 4.340 -0.000 0.000 0.277 182 Q C -0.552 175.380 176.000 -0.114 0.000 1.082 182 Q CA -0.357 55.403 55.803 -0.073 0.000 0.810 182 Q CB 1.993 30.680 28.738 -0.087 0.000 1.374 182 Q HN -0.047 nan 8.270 nan 0.000 0.422 183 D N 0.368 120.662 120.400 -0.176 0.000 2.301 183 D HA 0.268 4.908 4.640 -0.000 0.000 0.206 183 D C 0.273 176.343 176.300 -0.382 0.000 0.979 183 D CA 0.837 54.656 54.000 -0.301 0.000 0.874 183 D CB 1.256 41.764 40.800 -0.485 0.000 0.968 183 D HN 0.374 nan 8.370 nan 0.000 0.510 184 I N 0.496 120.863 120.570 -0.337 0.000 2.656 184 I HA 0.257 4.427 4.170 -0.000 0.000 0.292 184 I C -1.254 174.646 176.117 -0.361 0.000 1.144 184 I CA -0.781 60.286 61.300 -0.387 0.000 1.038 184 I CB 3.388 41.109 38.000 -0.466 0.000 1.244 184 I HN -0.424 nan 8.210 nan 0.000 0.420 185 V N 5.576 125.245 119.914 -0.410 0.000 2.612 185 V HA 0.381 4.501 4.120 -0.000 0.000 0.301 185 V C -0.734 175.126 176.094 -0.391 0.000 1.059 185 V CA -0.585 61.522 62.300 -0.321 0.000 0.886 185 V CB 1.811 33.519 31.823 -0.193 0.000 1.007 185 V HN 0.386 nan 8.190 nan 0.000 0.426 186 F N 3.343 123.193 119.950 -0.168 0.000 2.467 186 F HA 0.655 5.182 4.527 -0.000 0.000 0.362 186 F C 0.774 176.481 175.800 -0.155 0.000 1.090 186 F CA 0.073 57.959 58.000 -0.190 0.000 1.202 186 F CB 1.068 39.916 39.000 -0.253 0.000 1.113 186 F HN 0.574 nan 8.300 nan 0.000 0.541 187 A N 2.570 125.385 122.820 -0.008 0.000 2.371 187 A HA 0.922 5.242 4.320 -0.000 0.000 0.311 187 A C -0.041 177.524 177.584 -0.032 0.000 1.068 187 A CA 0.106 52.122 52.037 -0.036 0.000 0.744 187 A CB 1.357 20.308 19.000 -0.082 0.000 1.239 187 A HN 1.019 nan 8.150 nan 0.000 0.435 188 G N -0.140 108.649 108.800 -0.019 0.000 2.441 188 G HA2 0.750 4.710 3.960 -0.000 0.000 0.225 188 G HA3 0.750 4.710 3.960 -0.000 0.000 0.225 188 G C -0.216 174.688 174.900 0.006 0.000 1.200 188 G CA 0.389 45.476 45.100 -0.022 0.000 0.947 188 G HN 2.215 nan 8.290 nan 0.000 0.484 189 G N -2.187 106.622 108.800 0.015 0.000 2.349 189 G HA2 0.813 4.773 3.960 -0.000 0.000 0.294 189 G HA3 0.813 4.773 3.960 -0.000 0.000 0.294 189 G C -0.585 174.352 174.900 0.063 0.000 1.380 189 G CA 0.573 45.699 45.100 0.043 0.000 0.811 189 G HN 2.007 nan 8.290 nan 0.000 0.519 190 G N -1.323 107.530 108.800 0.088 0.000 2.692 190 G HA2 0.692 4.652 3.960 -0.000 0.000 0.291 190 G HA3 0.692 4.652 3.960 -0.000 0.000 0.291 190 G C -1.930 173.050 174.900 0.133 0.000 1.423 190 G CA -0.327 44.854 45.100 0.136 0.000 0.843 190 G HN 0.724 nan 8.290 nan 0.000 0.486 191 E N -0.274 120.040 120.200 0.191 0.000 2.343 191 E HA 0.319 4.669 4.350 -0.000 0.000 0.286 191 E C -0.215 176.513 176.600 0.213 0.000 0.915 191 E CA -0.646 55.841 56.400 0.146 0.000 0.784 191 E CB 1.390 31.142 29.700 0.086 0.000 1.251 191 E HN 0.716 nan 8.360 nan 0.000 0.407 192 E N 2.987 123.271 120.200 0.140 0.000 2.369 192 E HA 0.406 4.756 4.350 -0.000 0.000 0.255 192 E C -0.711 175.951 176.600 0.103 0.000 1.172 192 E CA -0.812 55.668 56.400 0.133 0.000 0.932 192 E CB 1.130 30.860 29.700 0.049 0.000 1.040 192 E HN 0.250 nan 8.360 nan 0.000 0.454 193 L N 1.685 122.941 121.223 0.055 0.000 2.349 193 L HA 0.471 4.811 4.340 -0.000 0.000 0.278 193 L C -1.349 175.529 176.870 0.014 0.000 0.996 193 L CA -0.304 54.515 54.840 -0.034 0.000 0.825 193 L CB 1.060 42.949 42.059 -0.283 0.000 1.243 193 L HN 0.939 nan 8.230 nan 0.000 0.412 194 C N 2.165 121.542 119.300 0.129 0.000 3.284 194 C HA 0.425 4.885 4.460 -0.000 0.000 0.338 194 C C 1.010 176.104 174.990 0.173 0.000 1.237 194 C CA -0.947 58.159 59.018 0.147 0.000 1.276 194 C CB 0.572 28.272 27.740 -0.067 0.000 1.601 194 C HN 1.064 nan 8.230 nan 0.000 0.494 195 W N 1.046 122.464 121.300 0.196 0.000 2.402 195 W HA 0.025 4.685 4.660 -0.000 0.000 0.286 195 W C 1.090 177.672 176.519 0.106 0.000 1.221 195 W CA 1.854 59.278 57.345 0.131 0.000 1.257 195 W CB -1.156 28.342 29.460 0.063 0.000 1.120 195 W HN 0.892 nan 8.180 nan 0.000 0.551 196 E N 0.927 120.458 120.200 -1.116 0.000 2.065 196 E HA -0.290 4.060 4.350 -0.000 0.000 0.201 196 E C 2.352 178.767 176.600 -0.309 0.000 1.016 196 E CA 2.980 58.765 56.400 -1.026 0.000 0.818 196 E CB -0.765 28.370 29.700 -0.941 0.000 0.749 196 E HN 0.363 nan 8.360 nan 0.000 0.453 197 M N -0.445 119.072 119.600 -0.139 0.000 2.248 197 M HA 0.067 4.547 4.480 -0.000 0.000 0.265 197 M C 2.141 178.564 176.300 0.205 0.000 1.079 197 M CA 1.336 56.661 55.300 0.041 0.000 1.150 197 M CB 0.066 32.730 32.600 0.106 0.000 1.366 197 M HN 0.158 nan 8.290 nan 0.000 0.433 198 A N 0.576 123.540 122.820 0.239 0.000 1.917 198 A HA -0.260 4.060 4.320 -0.000 0.000 0.219 198 A C 2.356 180.115 177.584 0.292 0.000 1.182 198 A CA 1.956 54.191 52.037 0.329 0.000 0.633 198 A CB -1.870 17.309 19.000 0.298 0.000 0.819 198 A HN 0.888 nan 8.150 nan 0.000 0.448 199 C N -0.702 118.743 119.300 0.240 0.000 2.410 199 C HA -0.072 4.388 4.460 -0.000 0.000 0.281 199 C C 2.150 177.206 174.990 0.109 0.000 1.318 199 C CA 1.034 60.173 59.018 0.201 0.000 1.776 199 C CB -1.620 26.285 27.740 0.274 0.000 1.942 199 C HN 0.658 nan 8.230 nan 0.000 0.508 200 E N 0.453 120.680 120.200 0.045 0.000 2.077 200 E HA -0.101 4.249 4.350 -0.000 0.000 0.193 200 E C 1.764 178.236 176.600 -0.214 0.000 0.989 200 E CA 1.533 57.852 56.400 -0.136 0.000 0.800 200 E CB -0.292 29.226 29.700 -0.303 0.000 0.746 200 E HN 0.803 nan 8.360 nan 0.000 0.452 201 F N 0.852 120.796 119.950 -0.009 0.000 2.293 201 F HA -0.101 4.426 4.527 0.000 0.000 0.297 201 F C 2.197 177.968 175.800 -0.047 0.000 1.089 201 F CA 0.819 58.801 58.000 -0.030 0.000 1.377 201 F CB -0.077 38.922 39.000 -0.003 0.000 1.051 201 F HN -0.030 nan 8.300 nan 0.000 0.511 202 D N 0.473 120.958 120.400 0.142 0.000 2.097 202 D HA -0.134 4.506 4.640 -0.000 0.000 0.197 202 D C 2.271 178.600 176.300 0.049 0.000 0.984 202 D CA 1.313 55.356 54.000 0.071 0.000 0.826 202 D CB -0.242 40.607 40.800 0.082 0.000 0.973 202 D HN 0.152 nan 8.370 nan 0.000 0.460 203 A N 0.210 123.054 122.820 0.039 0.000 2.070 203 A HA -0.101 4.219 4.320 -0.000 0.000 0.220 203 A C 2.240 179.831 177.584 0.011 0.000 1.159 203 A CA 1.208 53.257 52.037 0.020 0.000 0.656 203 A CB -0.642 18.363 19.000 0.008 0.000 0.800 203 A HN 0.385 nan 8.150 nan 0.000 0.453 204 M N -1.453 118.153 119.600 0.010 0.000 2.541 204 M HA 0.212 4.692 4.480 -0.000 0.000 0.252 204 M C 1.189 177.530 176.300 0.067 0.000 1.125 204 M CA 1.023 56.337 55.300 0.023 0.000 1.091 204 M CB 0.213 32.809 32.600 -0.007 0.000 1.420 204 M HN 0.603 nan 8.290 nan 0.000 0.486 205 G N 0.195 109.030 108.800 0.058 0.000 2.147 205 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.244 205 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.244 205 G C 0.559 175.502 174.900 0.072 0.000 1.005 205 G CA 0.396 45.530 45.100 0.057 0.000 0.713 205 G HN 0.648 nan 8.290 nan 0.000 0.515 206 A N -0.886 121.981 122.820 0.078 0.000 2.195 206 A HA 0.688 5.008 4.320 -0.000 0.000 0.210 206 A C 1.202 178.633 177.584 -0.255 0.000 1.165 206 A CA 0.534 52.615 52.037 0.074 0.000 0.806 206 A CB 0.192 19.395 19.000 0.339 0.000 0.847 206 A HN 0.591 nan 8.150 nan 0.000 0.482 207 L N -0.138 120.926 121.223 -0.266 0.000 2.360 207 L HA 0.366 4.706 4.340 -0.000 0.000 0.271 207 L C 0.730 177.529 176.870 -0.119 0.000 1.057 207 L CA -0.583 54.048 54.840 -0.348 0.000 0.803 207 L CB 1.538 43.450 42.059 -0.244 0.000 1.207 207 L HN 0.156 nan 8.230 nan 0.000 0.445 208 S N -0.106 115.556 115.700 -0.063 0.000 2.549 208 S HA 0.180 4.650 4.470 -0.000 0.000 0.279 208 S C 0.706 175.323 174.600 0.028 0.000 1.321 208 S CA 0.165 58.393 58.200 0.047 0.000 1.054 208 S CB 0.500 63.767 63.200 0.111 0.000 0.899 208 S HN 0.825 nan 8.310 nan 0.000 0.497 209 T N 1.236 115.805 114.554 0.026 0.000 3.046 209 T HA 0.322 4.672 4.350 -0.000 0.000 0.270 209 T C 0.804 175.442 174.700 -0.104 0.000 0.920 209 T CA -0.442 61.622 62.100 -0.061 0.000 0.874 209 T CB -0.123 68.700 68.868 -0.075 0.000 1.214 209 T HN 0.595 nan 8.240 nan 0.000 0.536 210 K N 0.350 120.684 120.400 -0.110 0.000 2.404 210 K HA 0.238 4.558 4.320 -0.000 0.000 0.194 210 K C -0.380 175.873 176.600 -0.579 0.000 1.023 210 K CA 0.309 56.380 56.287 -0.361 0.000 1.094 210 K CB 0.131 32.331 32.500 -0.500 0.000 0.841 210 K HN 0.464 nan 8.250 nan 0.000 0.523 211 Y N -0.154 120.138 120.300 -0.013 0.000 2.698 211 Y HA 0.220 4.770 4.550 -0.000 0.000 0.261 211 Y C 0.740 176.653 175.900 0.022 0.000 1.104 211 Y CA -0.719 57.385 58.100 0.005 0.000 1.145 211 Y CB 0.045 38.517 38.460 0.020 0.000 1.191 211 Y HN -0.006 nan 8.280 nan 0.000 0.564 212 N N 0.870 119.622 118.700 0.087 0.000 2.381 212 N HA -0.146 4.594 4.740 -0.000 0.000 0.182 212 N C 1.106 176.711 175.510 0.159 0.000 1.025 212 N CA 1.521 54.654 53.050 0.138 0.000 0.888 212 N CB -0.026 38.498 38.487 0.062 0.000 0.965 212 N HN 0.616 nan 8.380 nan 0.000 0.438 213 D N -0.237 120.211 120.400 0.079 0.000 2.323 213 D HA -0.052 4.588 4.640 -0.000 0.000 0.209 213 D C 0.273 176.606 176.300 0.054 0.000 0.973 213 D CA 0.643 54.662 54.000 0.031 0.000 0.874 213 D CB -0.186 40.613 40.800 -0.002 0.000 0.930 213 D HN 0.179 nan 8.370 nan 0.000 0.521 214 T N -1.869 112.752 114.554 0.111 0.000 3.583 214 T HA 0.237 4.587 4.350 -0.000 0.000 0.266 214 T C -2.020 172.761 174.700 0.134 0.000 1.296 214 T CA -1.264 60.903 62.100 0.110 0.000 1.668 214 T CB 1.838 70.776 68.868 0.117 0.000 0.832 214 T HN -0.248 nan 8.240 nan 0.000 0.649 215 P HA -0.205 nan 4.420 nan 0.000 0.217 215 P C 1.101 178.464 177.300 0.104 0.000 1.151 215 P CA 1.378 64.569 63.100 0.151 0.000 0.849 215 P CB 0.302 32.115 31.700 0.189 0.000 0.787 216 E N -0.399 119.849 120.200 0.080 0.000 2.472 216 E HA -0.092 4.258 4.350 -0.000 0.000 0.200 216 E C 1.430 178.035 176.600 0.008 0.000 1.046 216 E CA 0.629 57.057 56.400 0.047 0.000 0.871 216 E CB -0.132 29.592 29.700 0.040 0.000 0.806 216 E HN 0.424 nan 8.360 nan 0.000 0.533 217 K N -0.706 119.692 120.400 -0.005 0.000 2.374 217 K HA 0.222 4.542 4.320 -0.000 0.000 0.202 217 K C 1.622 178.069 176.600 -0.255 0.000 1.040 217 K CA 0.242 56.472 56.287 -0.094 0.000 1.085 217 K CB 0.854 33.319 32.500 -0.059 0.000 0.873 217 K HN -0.043 nan 8.250 nan 0.000 0.539 218 A N 1.268 124.009 122.820 -0.131 0.000 1.877 218 A HA -0.079 4.241 4.320 -0.000 0.000 0.216 218 A C 1.399 178.890 177.584 -0.155 0.000 1.186 218 A CA 1.237 53.189 52.037 -0.141 0.000 0.620 218 A CB -0.210 18.839 19.000 0.081 0.000 0.822 218 A HN 0.169 nan 8.150 nan 0.000 0.443 219 S N 0.529 116.188 115.700 -0.067 0.000 2.405 219 S HA 0.406 4.876 4.470 -0.000 0.000 0.291 219 S C 0.275 174.817 174.600 -0.097 0.000 1.137 219 S CA -0.561 57.611 58.200 -0.046 0.000 1.061 219 S CB -0.235 62.966 63.200 0.001 0.000 1.001 219 S HN 0.487 nan 8.310 nan 0.000 0.507 220 R N 2.638 123.067 120.500 -0.118 0.000 2.638 220 R HA 0.230 4.569 4.340 -0.000 0.000 0.261 220 R C -0.609 175.626 176.300 -0.109 0.000 1.515 220 R CA -0.653 55.379 56.100 -0.114 0.000 1.623 220 R CB -0.721 29.488 30.300 -0.152 0.000 1.347 220 R HN 0.378 nan 8.270 nan 0.000 0.705 221 T N 2.091 116.536 114.554 -0.182 0.000 2.891 221 T HA -0.101 4.249 4.350 -0.000 0.000 0.296 221 T C -0.047 174.464 174.700 -0.316 0.000 1.025 221 T CA 1.020 62.894 62.100 -0.377 0.000 1.149 221 T CB -0.075 68.415 68.868 -0.630 0.000 1.007 221 T HN 0.562 nan 8.240 nan 0.000 0.528 222 Y N -1.316 118.985 120.300 0.001 0.000 4.894 222 Y HA -0.204 4.346 4.550 -0.000 0.000 0.270 222 Y C 0.690 176.595 175.900 0.008 0.000 0.930 222 Y CA 0.458 58.561 58.100 0.005 0.000 1.814 222 Y CB -2.253 36.209 38.460 0.003 0.000 1.235 222 Y HN 0.774 nan 8.280 nan 0.000 0.480 223 D N 0.544 121.011 120.400 0.112 0.000 2.350 223 D HA 0.573 5.213 4.640 -0.000 0.000 0.249 223 D C 1.275 177.618 176.300 0.073 0.000 1.119 223 D CA 0.759 54.816 54.000 0.096 0.000 0.886 223 D CB 1.326 42.167 40.800 0.068 0.000 1.195 223 D HN 0.264 nan 8.370 nan 0.000 0.437 224 A N 3.293 126.140 122.820 0.045 0.000 2.084 224 A HA -0.204 4.116 4.320 -0.000 0.000 0.221 224 A C 1.157 178.584 177.584 -0.261 0.000 1.161 224 A CA 1.477 53.447 52.037 -0.111 0.000 0.653 224 A CB -0.623 18.264 19.000 -0.188 0.000 0.802 224 A HN 0.784 nan 8.150 nan 0.000 0.457 225 H N -0.538 118.583 119.070 0.084 0.000 2.505 225 H HA 0.184 4.740 4.556 -0.000 0.000 0.286 225 H C 0.577 176.001 175.328 0.160 0.000 1.072 225 H CA -0.179 55.948 56.048 0.132 0.000 1.141 225 H CB 0.018 29.890 29.762 0.183 0.000 1.550 225 H HN 0.614 nan 8.280 nan 0.000 0.547 226 R N 1.490 122.074 120.500 0.141 0.000 2.679 226 R HA 0.026 4.366 4.340 -0.000 0.000 0.268 226 R C -0.517 175.875 176.300 0.153 0.000 1.044 226 R CA 0.367 56.529 56.100 0.104 0.000 1.105 226 R CB 0.453 30.776 30.300 0.040 0.000 0.989 226 R HN 0.225 nan 8.270 nan 0.000 0.447 227 D N 0.659 121.165 120.400 0.177 0.000 2.865 227 D HA 0.234 4.874 4.640 -0.000 0.000 0.347 227 D C 0.011 176.380 176.300 0.116 0.000 1.498 227 D CA -0.005 54.090 54.000 0.160 0.000 0.787 227 D CB 0.410 41.331 40.800 0.202 0.000 1.190 227 D HN 0.926 nan 8.370 nan 0.000 0.445 228 G N 0.400 109.265 108.800 0.107 0.000 2.459 228 G HA2 0.219 4.179 3.960 -0.000 0.000 0.685 228 G HA3 0.219 4.179 3.960 -0.000 0.000 0.685 228 G C -0.554 174.413 174.900 0.111 0.000 1.303 228 G CA -0.707 44.445 45.100 0.086 0.000 0.907 228 G HN 0.325 nan 8.290 nan 0.000 0.632 229 F N -0.500 119.506 119.950 0.093 0.000 2.368 229 F HA 0.811 5.338 4.527 -0.000 0.000 0.315 229 F C 0.300 176.151 175.800 0.085 0.000 1.145 229 F CA -1.453 56.590 58.000 0.071 0.000 1.095 229 F CB 1.171 40.230 39.000 0.098 0.000 1.286 229 F HN 0.398 nan 8.300 nan 0.000 0.530 230 V N 3.949 124.080 119.914 0.362 0.000 2.347 230 V HA 0.256 4.376 4.120 -0.000 0.000 0.280 230 V C 0.202 176.524 176.094 0.379 0.000 1.021 230 V CA -0.850 61.600 62.300 0.250 0.000 0.847 230 V CB 1.068 33.003 31.823 0.186 0.000 0.990 230 V HN 0.840 nan 8.190 nan 0.000 0.444 231 I N 4.788 125.542 120.570 0.307 0.000 2.692 231 I HA 0.482 4.652 4.170 -0.000 0.000 0.284 231 I C 0.531 176.774 176.117 0.210 0.000 1.159 231 I CA 0.653 62.121 61.300 0.280 0.000 1.423 231 I CB 0.763 38.873 38.000 0.183 0.000 1.380 231 I HN 0.808 nan 8.210 nan 0.000 0.580 232 A N 4.812 127.694 122.820 0.104 0.000 2.564 232 A HA 0.923 5.243 4.320 -0.000 0.000 0.288 232 A C -0.625 176.934 177.584 -0.042 0.000 1.164 232 A CA -0.131 51.918 52.037 0.019 0.000 0.712 232 A CB 1.364 20.385 19.000 0.035 0.000 1.303 232 A HN 0.837 nan 8.150 nan 0.000 0.418 233 G N -1.922 106.809 108.800 -0.115 0.000 2.642 233 G HA2 0.892 4.852 3.960 -0.000 0.000 0.293 233 G HA3 0.892 4.852 3.960 -0.000 0.000 0.293 233 G C -0.211 174.544 174.900 -0.242 0.000 1.341 233 G CA -0.107 44.937 45.100 -0.094 0.000 0.916 233 G HN 2.233 nan 8.290 nan 0.000 0.474 234 G N -1.822 106.826 108.800 -0.254 0.000 2.356 234 G HA2 0.654 4.614 3.960 -0.000 0.000 0.288 234 G HA3 0.654 4.614 3.960 -0.000 0.000 0.288 234 G C -0.384 174.465 174.900 -0.084 0.000 1.302 234 G CA 0.259 45.059 45.100 -0.500 0.000 0.887 234 G HN 1.887 nan 8.290 nan 0.000 0.521 235 G N -1.959 106.803 108.800 -0.063 0.000 2.708 235 G HA2 1.047 5.007 3.960 -0.000 0.000 0.289 235 G HA3 1.047 5.007 3.960 -0.000 0.000 0.289 235 G C -0.354 174.539 174.900 -0.012 0.000 1.416 235 G CA 0.178 45.309 45.100 0.051 0.000 0.829 235 G HN 2.091 nan 8.290 nan 0.000 0.480 236 G N -1.382 107.409 108.800 -0.014 0.000 2.667 236 G HA2 0.651 4.611 3.960 -0.000 0.000 0.294 236 G HA3 0.651 4.611 3.960 -0.000 0.000 0.294 236 G C -1.742 173.126 174.900 -0.053 0.000 1.467 236 G CA -0.534 44.531 45.100 -0.058 0.000 0.852 236 G HN 0.988 nan 8.290 nan 0.000 0.521 237 M N 0.997 120.555 119.600 -0.069 0.000 2.365 237 M HA 0.672 5.152 4.480 -0.000 0.000 0.287 237 M C -1.046 175.216 176.300 -0.063 0.000 1.154 237 M CA -0.685 54.579 55.300 -0.059 0.000 0.941 237 M CB 2.274 34.831 32.600 -0.072 0.000 1.704 237 M HN 1.260 nan 8.290 nan 0.000 0.479 238 V N 1.601 121.481 119.914 -0.056 0.000 2.914 238 V HA 0.905 5.025 4.120 -0.000 0.000 0.314 238 V C -1.115 174.937 176.094 -0.071 0.000 1.084 238 V CA -0.937 61.319 62.300 -0.074 0.000 0.963 238 V CB 1.852 33.607 31.823 -0.113 0.000 1.025 238 V HN 0.619 nan 8.190 nan 0.000 0.432 239 V N 3.387 123.246 119.914 -0.092 0.000 2.334 239 V HA 0.356 4.476 4.120 -0.000 0.000 0.267 239 V C 0.164 176.136 176.094 -0.203 0.000 1.040 239 V CA -0.341 61.826 62.300 -0.221 0.000 0.866 239 V CB 0.936 32.646 31.823 -0.188 0.000 1.019 239 V HN 0.716 nan 8.190 nan 0.000 0.468 240 V N 5.121 124.884 119.914 -0.252 0.000 2.432 240 V HA 0.474 4.594 4.120 -0.000 0.000 0.275 240 V C 0.087 176.049 176.094 -0.219 0.000 1.043 240 V CA -0.253 61.933 62.300 -0.190 0.000 0.925 240 V CB 1.363 33.081 31.823 -0.174 0.000 0.985 240 V HN 0.971 nan 8.190 nan 0.000 0.466 241 E N 2.712 122.819 120.200 -0.155 0.000 2.340 241 E HA 0.321 4.671 4.350 -0.000 0.000 0.273 241 E C -0.876 175.671 176.600 -0.089 0.000 0.891 241 E CA -0.733 55.576 56.400 -0.152 0.000 0.757 241 E CB 1.887 31.515 29.700 -0.122 0.000 1.231 241 E HN 0.695 nan 8.360 nan 0.000 0.439 242 E N 3.684 123.833 120.200 -0.086 0.000 2.384 242 E HA -0.033 4.317 4.350 -0.000 0.000 0.266 242 E C 0.819 177.429 176.600 0.017 0.000 1.012 242 E CA -0.109 56.273 56.400 -0.030 0.000 0.901 242 E CB 1.119 30.804 29.700 -0.024 0.000 0.967 242 E HN 0.621 nan 8.360 nan 0.000 0.435 243 L N 5.443 126.671 121.223 0.008 0.000 1.997 243 L HA -0.243 4.097 4.340 -0.000 0.000 0.216 243 L C 1.898 178.781 176.870 0.022 0.000 1.074 243 L CA 2.012 56.857 54.840 0.009 0.000 0.763 243 L CB -0.453 41.606 42.059 0.000 0.000 0.890 243 L HN 0.554 nan 8.230 nan 0.000 0.434 244 E N -1.152 119.066 120.200 0.029 0.000 2.077 244 E HA -0.249 4.101 4.350 -0.000 0.000 0.193 244 E C 2.238 178.855 176.600 0.029 0.000 0.989 244 E CA 1.298 57.711 56.400 0.022 0.000 0.800 244 E CB -0.680 29.033 29.700 0.021 0.000 0.746 244 E HN 0.666 nan 8.360 nan 0.000 0.452 245 H N 0.536 119.592 119.070 -0.024 0.000 2.353 245 H HA -0.022 4.534 4.556 -0.000 0.000 0.300 245 H C 1.785 177.097 175.328 -0.027 0.000 1.090 245 H CA 1.767 57.800 56.048 -0.024 0.000 1.327 245 H CB 0.189 29.933 29.762 -0.031 0.000 1.383 245 H HN 0.123 nan 8.280 nan 0.000 0.508 246 A N 1.033 123.926 122.820 0.122 0.000 1.898 246 A HA -0.052 4.268 4.320 -0.000 0.000 0.216 246 A C 2.882 180.461 177.584 -0.009 0.000 1.181 246 A CA 1.004 53.077 52.037 0.060 0.000 0.620 246 A CB -0.749 18.271 19.000 0.033 0.000 0.819 246 A HN 0.403 nan 8.150 nan 0.000 0.442 247 L N -0.729 120.484 121.223 -0.017 0.000 2.056 247 L HA -0.174 4.166 4.340 -0.000 0.000 0.207 247 L C 3.055 179.898 176.870 -0.046 0.000 1.078 247 L CA 1.013 55.835 54.840 -0.030 0.000 0.749 247 L CB -0.552 41.493 42.059 -0.023 0.000 0.901 247 L HN 0.426 nan 8.230 nan 0.000 0.433 248 A N 1.009 123.786 122.820 -0.071 0.000 1.972 248 A HA -0.193 4.127 4.320 -0.000 0.000 0.219 248 A C 2.229 179.754 177.584 -0.098 0.000 1.169 248 A CA 1.639 53.621 52.037 -0.092 0.000 0.635 248 A CB -0.498 18.423 19.000 -0.132 0.000 0.810 248 A HN 0.575 nan 8.150 nan 0.000 0.446 249 R N -1.032 119.401 120.500 -0.112 0.000 2.359 249 R HA 0.343 4.683 4.340 -0.000 0.000 0.231 249 R C 0.879 177.158 176.300 -0.036 0.000 0.913 249 R CA 0.555 56.607 56.100 -0.079 0.000 1.075 249 R CB -0.712 29.534 30.300 -0.090 0.000 1.087 249 R HN 0.682 nan 8.270 nan 0.000 0.515 250 G N 0.958 109.739 108.800 -0.032 0.000 2.338 250 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.296 250 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.296 250 G C 0.251 175.149 174.900 -0.003 0.000 1.040 250 G CA 0.238 45.328 45.100 -0.017 0.000 1.004 250 G HN 0.712 nan 8.290 nan 0.000 0.509 251 A N -0.284 122.534 122.820 -0.004 0.000 2.332 251 A HA 0.609 4.929 4.320 -0.000 0.000 0.258 251 A C 0.389 177.974 177.584 0.001 0.000 1.087 251 A CA 0.188 52.231 52.037 0.011 0.000 0.802 251 A CB 0.370 19.377 19.000 0.011 0.000 1.042 251 A HN 1.388 nan 8.150 nan 0.000 0.489 252 H N 1.156 120.175 119.070 -0.084 0.000 2.723 252 H HA 0.492 5.048 4.556 -0.000 0.000 0.294 252 H C -0.671 174.548 175.328 -0.183 0.000 1.079 252 H CA -0.333 55.621 56.048 -0.157 0.000 1.411 252 H CB -0.046 29.583 29.762 -0.221 0.000 1.439 252 H HN 0.422 nan 8.280 nan 0.000 0.474 253 I N 7.013 127.224 120.570 -0.597 0.000 2.304 253 I HA 0.005 4.175 4.170 -0.000 0.000 0.291 253 I C 0.131 175.912 176.117 -0.560 0.000 1.018 253 I CA -0.411 60.636 61.300 -0.421 0.000 1.260 253 I CB 0.823 38.702 38.000 -0.202 0.000 1.390 253 I HN 0.751 nan 8.210 nan 0.000 0.475 254 Y N 5.206 125.306 120.300 -0.333 0.000 2.206 254 Y HA 0.200 4.750 4.550 -0.000 0.000 0.292 254 Y C 1.241 177.063 175.900 -0.130 0.000 1.123 254 Y CA 1.005 58.980 58.100 -0.208 0.000 1.142 254 Y CB 0.169 38.580 38.460 -0.082 0.000 1.006 254 Y HN 0.682 nan 8.280 nan 0.000 0.518 255 A N -0.826 122.035 122.820 0.068 0.000 2.544 255 A HA 0.398 4.718 4.320 -0.000 0.000 0.291 255 A C -1.496 176.091 177.584 0.006 0.000 1.055 255 A CA -0.834 51.217 52.037 0.024 0.000 0.651 255 A CB 0.604 19.627 19.000 0.039 0.000 1.296 255 A HN 0.065 nan 8.150 nan 0.000 0.431 256 E N 0.444 120.645 120.200 0.000 0.000 2.191 256 E HA 0.603 4.953 4.350 -0.000 0.000 0.278 256 E C -1.139 175.462 176.600 0.002 0.000 0.972 256 E CA -0.611 55.787 56.400 -0.004 0.000 0.804 256 E CB 0.881 30.580 29.700 -0.002 0.000 1.110 256 E HN 0.478 nan 8.360 nan 0.000 0.394 257 I N 6.011 126.578 120.570 -0.004 0.000 2.278 257 I HA 0.025 4.195 4.170 -0.000 0.000 0.296 257 I C 1.105 177.236 176.117 0.024 0.000 1.121 257 I CA -0.280 61.022 61.300 0.004 0.000 1.267 257 I CB 0.702 38.692 38.000 -0.018 0.000 1.447 257 I HN 0.499 nan 8.210 nan 0.000 0.509 258 V N 2.491 122.426 119.914 0.035 0.000 3.608 258 V HA 0.438 4.558 4.120 -0.000 0.000 0.269 258 V C 0.785 176.918 176.094 0.066 0.000 1.245 258 V CA 0.242 62.569 62.300 0.045 0.000 1.138 258 V CB -0.247 31.598 31.823 0.038 0.000 0.841 258 V HN 0.674 nan 8.190 nan 0.000 0.451 259 G N -0.449 108.399 108.800 0.081 0.000 2.731 259 G HA2 0.542 4.502 3.960 -0.000 0.000 0.298 259 G HA3 0.542 4.502 3.960 -0.000 0.000 0.298 259 G C -2.236 172.766 174.900 0.171 0.000 1.424 259 G CA -0.563 44.600 45.100 0.105 0.000 1.029 259 G HN 0.293 nan 8.290 nan 0.000 0.518 260 Y N 1.618 121.929 120.300 0.018 0.000 2.315 260 Y HA 0.662 5.212 4.550 -0.000 0.000 0.324 260 Y C -0.122 175.795 175.900 0.029 0.000 1.062 260 Y CA -1.343 56.768 58.100 0.017 0.000 1.159 260 Y CB 1.609 40.080 38.460 0.019 0.000 1.145 260 Y HN 0.802 nan 8.280 nan 0.000 0.442 261 G N 3.155 111.833 108.800 -0.203 0.000 2.416 261 G HA2 0.736 4.696 3.960 -0.000 0.000 0.329 261 G HA3 0.736 4.696 3.960 -0.000 0.000 0.329 261 G C -1.588 173.101 174.900 -0.352 0.000 1.173 261 G CA -0.592 44.332 45.100 -0.293 0.000 0.929 261 G HN 1.116 nan 8.290 nan 0.000 0.475 262 A N 1.662 124.293 122.820 -0.315 0.000 2.476 262 A HA 0.840 5.160 4.320 -0.000 0.000 0.280 262 A C 0.022 177.590 177.584 -0.027 0.000 1.081 262 A CA -0.079 51.919 52.037 -0.065 0.000 0.753 262 A CB 1.210 20.161 19.000 -0.081 0.000 1.248 262 A HN 1.496 nan 8.150 nan 0.000 0.424 263 T N -1.448 113.133 114.554 0.044 0.000 2.716 263 T HA 0.873 5.223 4.350 -0.000 0.000 0.286 263 T C -0.241 174.477 174.700 0.030 0.000 1.052 263 T CA -0.490 61.614 62.100 0.007 0.000 1.024 263 T CB 1.740 70.596 68.868 -0.020 0.000 1.349 263 T HN 1.350 nan 8.240 nan 0.000 0.525 264 S N -1.107 114.592 115.700 -0.001 0.000 2.540 264 S HA 0.469 4.939 4.470 -0.000 0.000 0.275 264 S C -0.318 174.269 174.600 -0.022 0.000 1.123 264 S CA -0.603 57.598 58.200 0.001 0.000 0.907 264 S CB 1.693 64.893 63.200 0.000 0.000 1.081 264 S HN 0.702 nan 8.310 nan 0.000 0.476 265 D N 2.551 122.936 120.400 -0.025 0.000 2.120 265 D HA 0.164 4.804 4.640 -0.000 0.000 0.202 265 D C 1.408 177.695 176.300 -0.023 0.000 0.972 265 D CA 1.534 55.510 54.000 -0.040 0.000 0.837 265 D CB -0.549 40.223 40.800 -0.046 0.000 0.989 265 D HN 1.062 nan 8.370 nan 0.000 0.469 266 G N 0.168 108.964 108.800 -0.008 0.000 2.314 266 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.292 266 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.292 266 G C 0.601 175.499 174.900 -0.002 0.000 1.059 266 G CA 0.889 45.988 45.100 -0.003 0.000 0.982 266 G HN 0.626 nan 8.290 nan 0.000 0.505 267 A N -1.102 121.719 122.820 0.001 0.000 1.761 267 A HA 0.602 4.922 4.320 -0.000 0.000 0.168 267 A C 0.512 178.105 177.584 0.015 0.000 1.884 267 A CA 1.000 53.039 52.037 0.003 0.000 1.217 267 A CB 0.446 19.441 19.000 -0.007 0.000 0.934 267 A HN 0.469 nan 8.150 nan 0.000 0.682 268 D N -0.509 119.904 120.400 0.021 0.000 2.252 268 D HA 0.430 5.070 4.640 -0.000 0.000 0.245 268 D C 0.597 176.934 176.300 0.061 0.000 1.009 268 D CA -0.537 53.487 54.000 0.039 0.000 0.870 268 D CB 1.458 42.283 40.800 0.040 0.000 1.251 268 D HN 0.067 nan 8.370 nan 0.000 0.460 269 M N 2.021 121.669 119.600 0.080 0.000 2.132 269 M HA -0.078 4.402 4.480 -0.000 0.000 0.263 269 M C 1.476 177.888 176.300 0.187 0.000 1.065 269 M CA 1.368 56.735 55.300 0.112 0.000 1.122 269 M CB -0.362 32.295 32.600 0.096 0.000 1.365 269 M HN 0.440 nan 8.290 nan 0.000 0.411 270 V N -2.983 117.052 119.914 0.202 0.000 2.988 270 V HA 0.730 4.850 4.120 -0.000 0.000 0.356 270 V C -0.083 176.136 176.094 0.209 0.000 1.380 270 V CA -0.384 62.116 62.300 0.334 0.000 1.184 270 V CB -0.596 31.464 31.823 0.395 0.000 1.204 270 V HN 0.172 nan 8.190 nan 0.000 0.530 271 A N 1.440 124.326 122.820 0.111 0.000 2.427 271 A HA 0.901 5.221 4.320 -0.000 0.000 0.298 271 A C -3.135 174.456 177.584 0.011 0.000 1.036 271 A CA -1.450 50.624 52.037 0.062 0.000 0.701 271 A CB 1.659 20.699 19.000 0.068 0.000 1.250 271 A HN 0.218 nan 8.150 nan 0.000 0.412 272 P HA 0.147 nan 4.420 nan 0.000 0.275 272 P C 0.651 177.911 177.300 -0.067 0.000 1.227 272 P CA 0.062 63.117 63.100 -0.075 0.000 0.781 272 P CB 1.545 33.188 31.700 -0.095 0.000 0.906 273 S N 1.436 117.081 115.700 -0.092 0.000 2.503 273 S HA 0.190 4.660 4.470 -0.000 0.000 0.217 273 S C 1.640 176.186 174.600 -0.090 0.000 0.999 273 S CA 0.727 58.885 58.200 -0.071 0.000 0.914 273 S CB -0.828 62.335 63.200 -0.062 0.000 0.782 273 S HN 0.719 nan 8.310 nan 0.000 0.520 274 G N 1.921 110.632 108.800 -0.149 0.000 2.458 274 G HA2 -0.404 3.556 3.960 -0.000 0.000 0.237 274 G HA3 -0.404 3.556 3.960 -0.000 0.000 0.237 274 G C 0.939 175.752 174.900 -0.145 0.000 1.113 274 G CA 0.603 45.611 45.100 -0.153 0.000 0.655 274 G HN 0.479 nan 8.290 nan 0.000 0.513 275 E N 1.548 121.682 120.200 -0.109 0.000 2.077 275 E HA -0.078 4.272 4.350 -0.000 0.000 0.193 275 E C 2.672 179.207 176.600 -0.108 0.000 0.989 275 E CA 2.191 58.538 56.400 -0.088 0.000 0.800 275 E CB -0.942 28.720 29.700 -0.064 0.000 0.746 275 E HN 0.625 nan 8.360 nan 0.000 0.452 276 G N 0.700 109.419 108.800 -0.136 0.000 2.408 276 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.217 276 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.217 276 G C 1.730 176.517 174.900 -0.188 0.000 1.150 276 G CA 1.242 46.259 45.100 -0.139 0.000 0.776 276 G HN 0.421 nan 8.290 nan 0.000 0.542 277 A N 0.203 122.823 122.820 -0.334 0.000 1.902 277 A HA 0.079 4.399 4.320 -0.000 0.000 0.217 277 A C 2.603 180.107 177.584 -0.134 0.000 1.181 277 A CA 1.764 53.542 52.037 -0.432 0.000 0.623 277 A CB -0.623 17.913 19.000 -0.772 0.000 0.818 277 A HN 0.241 nan 8.150 nan 0.000 0.443 278 V N 0.035 119.880 119.914 -0.115 0.000 2.255 278 V HA -0.294 3.826 4.120 -0.000 0.000 0.247 278 V C 2.663 178.722 176.094 -0.059 0.000 1.051 278 V CA 2.362 64.621 62.300 -0.067 0.000 1.018 278 V CB -0.800 30.983 31.823 -0.067 0.000 0.641 278 V HN 0.533 nan 8.190 nan 0.000 0.445 279 R N -1.108 119.355 120.500 -0.062 0.000 2.096 279 R HA -0.185 4.155 4.340 -0.000 0.000 0.235 279 R C 2.407 178.685 176.300 -0.036 0.000 1.127 279 R CA 1.672 57.743 56.100 -0.049 0.000 0.968 279 R CB -0.876 29.394 30.300 -0.050 0.000 0.861 279 R HN 0.578 nan 8.270 nan 0.000 0.440 280 C N 0.758 120.045 119.300 -0.020 0.000 2.432 280 C HA -0.072 4.388 4.460 -0.000 0.000 0.277 280 C C 2.600 177.609 174.990 0.031 0.000 1.249 280 C CA 0.878 59.907 59.018 0.017 0.000 1.725 280 C CB -0.655 27.146 27.740 0.101 0.000 2.028 280 C HN 0.459 nan 8.230 nan 0.000 0.477 281 M N 0.070 119.699 119.600 0.049 0.000 2.175 281 M HA -0.124 4.356 4.480 -0.000 0.000 0.264 281 M C 2.259 178.540 176.300 -0.033 0.000 1.063 281 M CA 1.661 56.984 55.300 0.038 0.000 1.119 281 M CB -0.452 32.184 32.600 0.060 0.000 1.377 281 M HN 0.387 nan 8.290 nan 0.000 0.415 282 K N 0.106 120.471 120.400 -0.059 0.000 2.057 282 K HA -0.125 4.195 4.320 -0.000 0.000 0.206 282 K C 2.011 178.611 176.600 0.001 0.000 1.050 282 K CA 1.308 57.556 56.287 -0.065 0.000 0.935 282 K CB -0.206 32.257 32.500 -0.061 0.000 0.715 282 K HN 0.344 nan 8.250 nan 0.000 0.439 283 M N 0.646 120.244 119.600 -0.003 0.000 2.086 283 M HA -0.169 4.311 4.480 -0.000 0.000 0.261 283 M C 2.154 178.466 176.300 0.020 0.000 1.067 283 M CA 1.780 57.078 55.300 -0.003 0.000 1.116 283 M CB -0.122 32.437 32.600 -0.069 0.000 1.348 283 M HN 0.179 nan 8.290 nan 0.000 0.407 284 A N -0.008 122.817 122.820 0.009 0.000 2.019 284 A HA -0.132 4.188 4.320 -0.000 0.000 0.219 284 A C 1.926 179.544 177.584 0.057 0.000 1.164 284 A CA 1.297 53.357 52.037 0.039 0.000 0.644 284 A CB -0.493 18.537 19.000 0.050 0.000 0.805 284 A HN 0.574 nan 8.150 nan 0.000 0.449 285 M N -0.657 118.965 119.600 0.038 0.000 2.541 285 M HA 0.041 4.521 4.480 -0.000 0.000 0.252 285 M C 0.552 176.871 176.300 0.031 0.000 1.125 285 M CA 0.347 55.659 55.300 0.020 0.000 1.091 285 M CB -0.751 31.817 32.600 -0.053 0.000 1.420 285 M HN 0.457 nan 8.290 nan 0.000 0.486 286 H N 1.017 120.069 119.070 -0.031 0.000 3.138 286 H HA 0.173 4.729 4.556 -0.000 0.000 0.275 286 H C 1.097 176.418 175.328 -0.012 0.000 0.997 286 H CA 1.837 57.868 56.048 -0.027 0.000 1.460 286 H CB 0.122 29.865 29.762 -0.031 0.000 1.524 286 H HN 0.610 nan 8.280 nan 0.000 0.532 287 G N 3.962 112.720 108.800 -0.071 0.000 2.234 287 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.235 287 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.235 287 G C 0.145 175.050 174.900 0.007 0.000 0.997 287 G CA 0.102 45.209 45.100 0.012 0.000 0.623 287 G HN 0.611 nan 8.290 nan 0.000 0.514 288 V N 3.568 123.488 119.914 0.010 0.000 2.439 288 V HA 0.311 4.431 4.120 -0.000 0.000 0.271 288 V C 1.265 177.360 176.094 0.002 0.000 1.040 288 V CA 0.536 62.847 62.300 0.017 0.000 1.002 288 V CB 1.305 33.148 31.823 0.033 0.000 1.000 288 V HN 0.531 nan 8.190 nan 0.000 0.477 289 D N 2.818 123.221 120.400 0.005 0.000 2.328 289 D HA -0.022 4.618 4.640 -0.000 0.000 0.226 289 D C 0.639 176.946 176.300 0.011 0.000 1.066 289 D CA 0.126 54.126 54.000 0.000 0.000 0.861 289 D CB 0.325 41.124 40.800 -0.001 0.000 0.912 289 D HN 0.616 nan 8.370 nan 0.000 0.521 290 T N -1.897 112.670 114.554 0.022 0.000 2.908 290 T HA 0.558 4.908 4.350 -0.000 0.000 0.290 290 T C -2.771 171.959 174.700 0.051 0.000 1.034 290 T CA -1.652 60.467 62.100 0.031 0.000 1.010 290 T CB 2.452 71.337 68.868 0.029 0.000 1.068 290 T HN -0.177 nan 8.240 nan 0.000 0.481 291 P HA 0.353 nan 4.420 nan 0.000 0.276 291 P C -0.514 176.833 177.300 0.079 0.000 1.244 291 P CA -0.693 62.458 63.100 0.085 0.000 0.801 291 P CB 0.607 32.346 31.700 0.064 0.000 1.006 292 I N 2.771 123.403 120.570 0.103 0.000 2.396 292 I HA 0.033 4.203 4.170 -0.000 0.000 0.289 292 I C 1.313 177.413 176.117 -0.028 0.000 1.056 292 I CA 0.299 61.622 61.300 0.038 0.000 1.365 292 I CB 0.062 38.076 38.000 0.024 0.000 1.407 292 I HN 0.323 nan 8.210 nan 0.000 0.509 293 D N 5.130 125.535 120.400 0.009 0.000 2.305 293 D HA -0.066 4.574 4.640 -0.000 0.000 0.206 293 D C -0.054 176.290 176.300 0.073 0.000 0.974 293 D CA 1.193 55.209 54.000 0.025 0.000 0.871 293 D CB 0.516 41.342 40.800 0.043 0.000 0.947 293 D HN 0.526 nan 8.370 nan 0.000 0.516 294 Y N 0.242 120.491 120.300 -0.086 0.000 2.480 294 Y HA 0.425 4.975 4.550 -0.000 0.000 0.329 294 Y C -2.198 173.648 175.900 -0.089 0.000 1.127 294 Y CA -1.100 56.942 58.100 -0.096 0.000 1.037 294 Y CB 1.133 39.537 38.460 -0.093 0.000 1.320 294 Y HN -0.231 nan 8.280 nan 0.000 0.446 295 L N 7.026 127.615 121.223 -1.057 0.000 2.372 295 L HA 0.505 4.845 4.340 -0.000 0.000 0.274 295 L C -1.169 175.090 176.870 -1.018 0.000 0.988 295 L CA -0.534 53.819 54.840 -0.812 0.000 0.833 295 L CB 1.018 42.821 42.059 -0.427 0.000 1.236 295 L HN 0.813 nan 8.230 nan 0.000 0.410 296 N N 3.627 121.888 118.700 -0.731 0.000 2.469 296 N HA 0.128 4.868 4.740 -0.000 0.000 0.239 296 N C -0.315 175.093 175.510 -0.171 0.000 1.053 296 N CA -0.197 52.667 53.050 -0.310 0.000 0.937 296 N CB 1.012 39.480 38.487 -0.032 0.000 1.163 296 N HN 0.738 nan 8.380 nan 0.000 0.509 297 S N 2.688 118.330 115.700 -0.097 0.000 2.608 297 S HA -0.002 4.468 4.470 -0.000 0.000 0.261 297 S C 1.290 175.847 174.600 -0.073 0.000 1.314 297 S CA -0.202 57.975 58.200 -0.037 0.000 0.992 297 S CB 1.116 64.378 63.200 0.103 0.000 0.935 297 S HN 0.753 nan 8.310 nan 0.000 0.564 298 H N 1.542 120.494 119.070 -0.198 0.000 2.333 298 H HA 0.175 4.731 4.556 -0.000 0.000 0.302 298 H C 1.516 176.710 175.328 -0.223 0.000 1.075 298 H CA 1.145 57.025 56.048 -0.280 0.000 1.348 298 H CB -1.115 28.444 29.762 -0.339 0.000 1.393 298 H HN 1.014 nan 8.280 nan 0.000 0.509 299 G N 1.002 109.671 108.800 -0.218 0.000 2.500 299 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.309 299 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.309 299 G C 0.952 175.568 174.900 -0.474 0.000 0.236 299 G CA 1.014 45.905 45.100 -0.348 0.000 1.128 299 G HN 0.778 nan 8.290 nan 0.000 0.495 300 T N -1.019 113.232 114.554 -0.505 0.000 3.129 300 T HA 0.385 4.735 4.350 -0.000 0.000 0.251 300 T C 1.276 175.899 174.700 -0.129 0.000 1.117 300 T CA 0.930 62.781 62.100 -0.414 0.000 1.034 300 T CB 0.287 68.847 68.868 -0.515 0.000 0.968 300 T HN 1.852 nan 8.240 nan 0.000 0.526 301 S N 0.776 116.381 115.700 -0.159 0.000 3.807 301 S HA -0.131 4.339 4.470 -0.000 0.000 0.304 301 S C 0.186 174.803 174.600 0.028 0.000 1.152 301 S CA 0.520 58.670 58.200 -0.083 0.000 0.852 301 S CB -2.170 61.005 63.200 -0.041 0.000 0.924 301 S HN 1.231 nan 8.310 nan 0.000 0.545 302 T N -0.854 113.725 114.554 0.042 0.000 2.895 302 T HA 0.680 5.030 4.350 -0.000 0.000 0.283 302 T C -1.435 173.312 174.700 0.079 0.000 1.014 302 T CA -1.617 60.546 62.100 0.106 0.000 1.037 302 T CB 1.639 70.603 68.868 0.162 0.000 1.006 302 T HN -0.042 nan 8.240 nan 0.000 0.468 303 P HA -0.147 nan 4.420 nan 0.000 0.214 303 P C 1.602 178.946 177.300 0.073 0.000 1.169 303 P CA 0.797 63.940 63.100 0.072 0.000 0.908 303 P CB -0.016 31.727 31.700 0.071 0.000 0.791 304 V N -0.799 119.163 119.914 0.080 0.000 2.446 304 V HA -0.030 4.090 4.120 -0.000 0.000 0.244 304 V C 2.569 178.711 176.094 0.080 0.000 1.039 304 V CA 2.162 64.506 62.300 0.073 0.000 1.045 304 V CB -1.897 29.968 31.823 0.070 0.000 0.681 304 V HN 0.161 nan 8.190 nan 0.000 0.459 305 G N 0.358 109.213 108.800 0.091 0.000 2.491 305 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.218 305 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.218 305 G C 1.158 176.130 174.900 0.119 0.000 1.180 305 G CA 1.395 46.558 45.100 0.104 0.000 0.774 305 G HN 0.490 nan 8.290 nan 0.000 0.562 306 D N 0.147 120.602 120.400 0.093 0.000 2.127 306 D HA -0.177 4.463 4.640 -0.000 0.000 0.190 306 D C 2.901 179.342 176.300 0.235 0.000 1.000 306 D CA 2.225 56.305 54.000 0.134 0.000 0.839 306 D CB -0.855 39.990 40.800 0.076 0.000 0.955 306 D HN 0.367 nan 8.370 nan 0.000 0.446 307 V N -1.385 118.630 119.914 0.169 0.000 2.515 307 V HA -0.098 4.022 4.120 -0.000 0.000 0.250 307 V C 2.058 178.209 176.094 0.094 0.000 1.058 307 V CA 1.172 63.548 62.300 0.128 0.000 1.064 307 V CB -0.384 31.491 31.823 0.086 0.000 0.675 307 V HN -0.048 nan 8.190 nan 0.000 0.461 308 K N 0.830 121.281 120.400 0.084 0.000 2.032 308 K HA -0.210 4.110 4.320 -0.000 0.000 0.209 308 K C 2.260 178.892 176.600 0.054 0.000 1.048 308 K CA 2.237 58.553 56.287 0.048 0.000 0.927 308 K CB -0.380 32.137 32.500 0.028 0.000 0.712 308 K HN 0.808 nan 8.250 nan 0.000 0.441 309 E N 0.674 120.945 120.200 0.118 0.000 2.110 309 E HA -0.141 4.209 4.350 -0.000 0.000 0.193 309 E C 2.120 178.809 176.600 0.148 0.000 0.988 309 E CA 0.728 57.232 56.400 0.174 0.000 0.804 309 E CB 0.002 29.899 29.700 0.329 0.000 0.745 309 E HN 0.176 nan 8.360 nan 0.000 0.458 310 L N 0.403 121.704 121.223 0.129 0.000 2.046 310 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 310 L C 2.725 179.624 176.870 0.049 0.000 1.077 310 L CA 1.041 55.920 54.840 0.065 0.000 0.747 310 L CB -0.571 41.493 42.059 0.008 0.000 0.896 310 L HN 0.248 nan 8.230 nan 0.000 0.432 311 A N 0.080 122.925 122.820 0.043 0.000 1.933 311 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 311 A C 2.515 180.117 177.584 0.030 0.000 1.175 311 A CA 1.707 53.761 52.037 0.027 0.000 0.628 311 A CB -0.566 18.444 19.000 0.017 0.000 0.814 311 A HN 0.415 nan 8.150 nan 0.000 0.444 312 A N -0.138 122.701 122.820 0.032 0.000 1.930 312 A HA -0.018 4.302 4.320 -0.000 0.000 0.217 312 A C 2.089 179.719 177.584 0.078 0.000 1.175 312 A CA 1.363 53.414 52.037 0.023 0.000 0.627 312 A CB -0.537 18.454 19.000 -0.014 0.000 0.815 312 A HN 0.488 nan 8.150 nan 0.000 0.443 313 I N -0.754 119.894 120.570 0.131 0.000 2.226 313 I HA -0.279 3.891 4.170 -0.000 0.000 0.245 313 I C 2.767 179.035 176.117 0.252 0.000 1.100 313 I CA 1.282 62.725 61.300 0.238 0.000 1.374 313 I CB -0.330 37.771 38.000 0.169 0.000 1.057 313 I HN 0.311 nan 8.210 nan 0.000 0.413 314 R N 0.346 120.922 120.500 0.127 0.000 2.073 314 R HA -0.173 4.167 4.340 -0.000 0.000 0.234 314 R C 2.294 178.645 176.300 0.084 0.000 1.134 314 R CA 1.213 57.371 56.100 0.098 0.000 0.952 314 R CB -0.371 29.956 30.300 0.045 0.000 0.850 314 R HN 0.321 nan 8.270 nan 0.000 0.433 315 E N 0.514 120.743 120.200 0.047 0.000 2.097 315 E HA -0.178 4.172 4.350 -0.000 0.000 0.196 315 E C 2.089 178.673 176.600 -0.027 0.000 1.000 315 E CA 1.393 57.797 56.400 0.006 0.000 0.804 315 E CB -0.013 29.681 29.700 -0.009 0.000 0.740 315 E HN 0.127 nan 8.360 nan 0.000 0.454 316 V N 0.022 119.907 119.914 -0.048 0.000 2.283 316 V HA -0.210 3.910 4.120 -0.000 0.000 0.243 316 V C 1.999 177.885 176.094 -0.347 0.000 1.039 316 V CA 1.680 63.834 62.300 -0.243 0.000 1.016 316 V CB -0.481 31.108 31.823 -0.390 0.000 0.650 316 V HN 0.158 nan 8.190 nan 0.000 0.449 317 F N 0.039 119.983 119.950 -0.011 0.000 2.743 317 F HA 0.433 4.960 4.527 -0.000 0.000 0.297 317 F C 1.883 177.675 175.800 -0.013 0.000 1.131 317 F CA 0.656 58.648 58.000 -0.013 0.000 1.426 317 F CB -0.666 38.325 39.000 -0.015 0.000 1.116 317 F HN 0.280 nan 8.300 nan 0.000 0.583 318 G N 0.692 109.568 108.800 0.127 0.000 2.620 318 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.315 318 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.315 318 G C 0.562 175.508 174.900 0.077 0.000 1.179 318 G CA 0.698 45.840 45.100 0.071 0.000 0.971 318 G HN 0.285 nan 8.290 nan 0.000 0.544 319 D N 1.234 121.670 120.400 0.060 0.000 2.491 319 D HA 0.258 4.898 4.640 -0.000 0.000 0.228 319 D C 0.852 177.182 176.300 0.049 0.000 1.183 319 D CA 0.139 54.166 54.000 0.043 0.000 0.827 319 D CB 0.461 41.277 40.800 0.026 0.000 0.989 319 D HN 0.224 nan 8.370 nan 0.000 0.494 320 K N 0.910 121.363 120.400 0.089 0.000 3.239 320 K HA 0.160 4.480 4.320 -0.000 0.000 0.204 320 K C -0.531 176.108 176.600 0.064 0.000 1.126 320 K CA -0.290 56.047 56.287 0.083 0.000 0.948 320 K CB 0.302 32.871 32.500 0.114 0.000 0.818 320 K HN -0.193 nan 8.250 nan 0.000 0.480 321 S N 3.084 118.780 115.700 -0.008 0.000 2.549 321 S HA 0.227 4.697 4.470 -0.000 0.000 0.283 321 S C -1.985 172.450 174.600 -0.274 0.000 1.320 321 S CA -0.637 57.454 58.200 -0.183 0.000 1.058 321 S CB 0.677 63.808 63.200 -0.114 0.000 0.882 321 S HN 0.354 nan 8.310 nan 0.000 0.498 322 P HA 0.382 nan 4.420 nan 0.000 0.278 322 P C -0.931 176.238 177.300 -0.218 0.000 1.266 322 P CA -0.691 62.205 63.100 -0.339 0.000 0.807 322 P CB 0.615 32.027 31.700 -0.480 0.000 1.094 323 A N 1.316 124.076 122.820 -0.100 0.000 2.483 323 A HA 0.432 4.752 4.320 -0.000 0.000 0.238 323 A C 0.270 177.838 177.584 -0.026 0.000 1.070 323 A CA 0.086 52.116 52.037 -0.011 0.000 0.770 323 A CB -0.670 18.381 19.000 0.086 0.000 1.008 323 A HN 0.485 nan 8.150 nan 0.000 0.497 324 I N 0.957 121.526 120.570 -0.002 0.000 2.769 324 I HA 0.547 4.717 4.170 -0.000 0.000 0.298 324 I C -0.105 176.091 176.117 0.132 0.000 1.128 324 I CA -0.276 61.002 61.300 -0.037 0.000 1.031 324 I CB 2.672 40.609 38.000 -0.105 0.000 1.235 324 I HN 0.793 nan 8.210 nan 0.000 0.423 325 S N 3.236 119.060 115.700 0.206 0.000 2.535 325 S HA 0.819 5.289 4.470 -0.000 0.000 0.272 325 S C -1.101 173.621 174.600 0.204 0.000 1.149 325 S CA -0.796 57.557 58.200 0.254 0.000 0.888 325 S CB 1.926 65.287 63.200 0.268 0.000 1.110 325 S HN 0.820 nan 8.310 nan 0.000 0.463 326 A N 2.224 125.136 122.820 0.154 0.000 2.412 326 A HA 0.587 4.907 4.320 -0.000 0.000 0.334 326 A C 1.185 178.759 177.584 -0.016 0.000 1.419 326 A CA -0.206 51.837 52.037 0.011 0.000 0.930 326 A CB -0.379 18.509 19.000 -0.186 0.000 1.149 326 A HN 1.354 nan 8.150 nan 0.000 0.515 327 T N -0.116 114.445 114.554 0.011 0.000 3.025 327 T HA -0.115 4.235 4.350 -0.000 0.000 0.270 327 T C 1.362 176.024 174.700 -0.064 0.000 1.126 327 T CA 1.326 63.403 62.100 -0.038 0.000 1.105 327 T CB -0.306 68.531 68.868 -0.052 0.000 0.884 327 T HN 0.628 nan 8.240 nan 0.000 0.522 328 K N 1.060 121.418 120.400 -0.071 0.000 2.283 328 K HA 0.176 4.496 4.320 -0.000 0.000 0.202 328 K C 2.603 179.162 176.600 -0.068 0.000 1.048 328 K CA 0.825 57.064 56.287 -0.080 0.000 0.948 328 K CB -0.326 32.071 32.500 -0.172 0.000 0.742 328 K HN 0.486 nan 8.250 nan 0.000 0.458 329 A N 0.826 123.596 122.820 -0.083 0.000 2.019 329 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 329 A C 1.977 179.534 177.584 -0.044 0.000 1.164 329 A CA 1.364 53.360 52.037 -0.067 0.000 0.644 329 A CB -0.239 18.721 19.000 -0.066 0.000 0.805 329 A HN 0.196 nan 8.150 nan 0.000 0.449 330 M N -1.342 118.226 119.600 -0.053 0.000 2.412 330 M HA -0.036 4.444 4.480 -0.000 0.000 0.263 330 M C 2.365 178.643 176.300 -0.037 0.000 1.122 330 M CA 1.654 56.923 55.300 -0.053 0.000 1.179 330 M CB -0.078 32.467 32.600 -0.092 0.000 1.335 330 M HN 0.574 nan 8.290 nan 0.000 0.465 331 T N -2.102 112.427 114.554 -0.043 0.000 3.054 331 T HA 0.403 4.753 4.350 -0.000 0.000 0.259 331 T C 1.064 175.790 174.700 0.043 0.000 1.092 331 T CA 0.506 62.605 62.100 -0.000 0.000 1.121 331 T CB -0.177 68.712 68.868 0.035 0.000 0.912 331 T HN 0.564 nan 8.240 nan 0.000 0.489 332 G N 0.995 109.824 108.800 0.048 0.000 2.728 332 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.294 332 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.294 332 G C -0.920 174.049 174.900 0.114 0.000 1.342 332 G CA -0.317 44.844 45.100 0.102 0.000 0.866 332 G HN 0.814 nan 8.290 nan 0.000 0.534 333 H N 0.732 119.814 119.070 0.020 0.000 2.685 333 H HA 0.606 5.162 4.556 -0.000 0.000 0.286 333 H C 1.602 176.883 175.328 -0.078 0.000 1.102 333 H CA -0.049 55.930 56.048 -0.115 0.000 1.254 333 H CB 0.647 30.174 29.762 -0.392 0.000 1.397 333 H HN 0.848 nan 8.280 nan 0.000 0.473 334 S N 4.840 120.644 115.700 0.172 0.000 2.754 334 S HA 0.104 4.574 4.470 -0.000 0.000 0.223 334 S C 1.361 175.940 174.600 -0.035 0.000 0.951 334 S CA 0.024 58.243 58.200 0.032 0.000 0.954 334 S CB -0.599 62.617 63.200 0.028 0.000 0.780 334 S HN 0.720 nan 8.310 nan 0.000 0.509 335 L N -0.055 121.044 121.223 -0.208 0.000 4.638 335 L HA -0.361 3.979 4.340 -0.000 0.000 0.053 335 L C 2.289 179.173 176.870 0.023 0.000 3.458 335 L CA 1.554 56.236 54.840 -0.263 0.000 1.370 335 L CB -2.082 39.824 42.059 -0.256 0.000 3.074 335 L HN 0.449 nan 8.230 nan 0.000 0.881 336 G N -1.149 107.674 108.800 0.037 0.000 2.448 336 G HA2 0.042 4.002 3.960 -0.000 0.000 0.219 336 G HA3 0.042 4.002 3.960 -0.000 0.000 0.219 336 G C 1.273 176.206 174.900 0.055 0.000 1.127 336 G CA 1.247 46.390 45.100 0.072 0.000 0.766 336 G HN 0.839 nan 8.290 nan 0.000 0.552 337 A N 0.335 123.179 122.820 0.041 0.000 2.238 337 A HA 0.646 4.966 4.320 -0.000 0.000 0.210 337 A C 2.538 180.116 177.584 -0.010 0.000 1.179 337 A CA 1.262 53.309 52.037 0.017 0.000 0.827 337 A CB -0.202 18.808 19.000 0.017 0.000 0.856 337 A HN 0.519 nan 8.150 nan 0.000 0.488 338 A N 0.109 122.947 122.820 0.029 0.000 1.902 338 A HA 0.091 4.411 4.320 -0.000 0.000 0.217 338 A C 2.327 179.877 177.584 -0.056 0.000 1.181 338 A CA 1.886 53.933 52.037 0.016 0.000 0.623 338 A CB -1.255 17.811 19.000 0.111 0.000 0.818 338 A HN 0.660 nan 8.150 nan 0.000 0.443 339 G N -0.837 107.936 108.800 -0.046 0.000 2.459 339 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.217 339 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.217 339 G C 1.662 176.487 174.900 -0.124 0.000 1.183 339 G CA 1.381 46.429 45.100 -0.088 0.000 0.776 339 G HN 0.630 nan 8.290 nan 0.000 0.552 340 V N 0.081 119.924 119.914 -0.118 0.000 2.453 340 V HA -0.087 4.033 4.120 -0.000 0.000 0.247 340 V C 2.702 178.651 176.094 -0.242 0.000 1.048 340 V CA 2.403 64.613 62.300 -0.149 0.000 1.049 340 V CB -0.229 31.530 31.823 -0.107 0.000 0.672 340 V HN 0.510 nan 8.190 nan 0.000 0.457 341 Q N -0.381 119.246 119.800 -0.289 0.000 2.084 341 Q HA -0.243 4.097 4.340 -0.000 0.000 0.202 341 Q C 2.154 177.572 176.000 -0.970 0.000 0.978 341 Q CA 2.134 57.606 55.803 -0.553 0.000 0.844 341 Q CB -0.119 28.362 28.738 -0.429 0.000 0.898 341 Q HN 0.710 nan 8.270 nan 0.000 0.426 342 E N 0.183 120.050 120.200 -0.555 0.000 2.208 342 E HA -0.090 4.260 4.350 -0.000 0.000 0.193 342 E C 1.802 178.279 176.600 -0.204 0.000 0.988 342 E CA 0.645 56.845 56.400 -0.333 0.000 0.828 342 E CB 0.040 29.690 29.700 -0.084 0.000 0.763 342 E HN 0.329 nan 8.360 nan 0.000 0.478 343 A N 0.857 123.547 122.820 -0.216 0.000 1.929 343 A HA -0.116 4.204 4.320 -0.000 0.000 0.216 343 A C 2.091 179.579 177.584 -0.160 0.000 1.176 343 A CA 0.783 52.734 52.037 -0.145 0.000 0.628 343 A CB -0.358 18.557 19.000 -0.141 0.000 0.816 343 A HN 0.140 nan 8.150 nan 0.000 0.444 344 I N -1.388 119.027 120.570 -0.258 0.000 2.315 344 I HA -0.243 3.927 4.170 -0.000 0.000 0.248 344 I C 2.218 178.284 176.117 -0.085 0.000 1.117 344 I CA 1.143 62.306 61.300 -0.228 0.000 1.404 344 I CB -0.389 37.447 38.000 -0.274 0.000 1.071 344 I HN 0.366 nan 8.210 nan 0.000 0.419 345 Y N 0.727 121.008 120.300 -0.032 0.000 2.224 345 Y HA -0.168 4.382 4.550 -0.000 0.000 0.289 345 Y C 2.929 178.811 175.900 -0.031 0.000 1.146 345 Y CA 0.705 58.798 58.100 -0.012 0.000 1.182 345 Y CB -1.288 37.172 38.460 -0.001 0.000 0.983 345 Y HN 0.092 nan 8.280 nan 0.000 0.524 346 S N 0.058 115.838 115.700 0.133 0.000 2.383 346 S HA -0.118 4.352 4.470 -0.000 0.000 0.227 346 S C 2.146 176.766 174.600 0.033 0.000 1.026 346 S CA 1.011 59.276 58.200 0.108 0.000 0.981 346 S CB -0.568 62.700 63.200 0.113 0.000 0.818 346 S HN 0.352 nan 8.310 nan 0.000 0.472 347 L N 0.888 122.110 121.223 -0.003 0.000 2.093 347 L HA -0.038 4.302 4.340 -0.000 0.000 0.208 347 L C 2.162 179.061 176.870 0.048 0.000 1.085 347 L CA 0.895 55.719 54.840 -0.025 0.000 0.755 347 L CB -0.474 41.481 42.059 -0.173 0.000 0.904 347 L HN 0.292 nan 8.230 nan 0.000 0.435 348 L N -1.110 120.169 121.223 0.094 0.000 2.109 348 L HA -0.187 4.153 4.340 -0.000 0.000 0.207 348 L C 2.617 179.658 176.870 0.284 0.000 1.086 348 L CA 1.149 56.161 54.840 0.287 0.000 0.760 348 L CB -0.272 41.977 42.059 0.316 0.000 0.910 348 L HN 0.299 nan 8.230 nan 0.000 0.437 349 M N -0.859 118.702 119.600 -0.066 0.000 2.175 349 M HA -0.221 4.259 4.480 -0.000 0.000 0.264 349 M C 2.274 178.473 176.300 -0.168 0.000 1.063 349 M CA 1.552 56.548 55.300 -0.506 0.000 1.119 349 M CB -0.277 31.854 32.600 -0.782 0.000 1.377 349 M HN 0.221 nan 8.290 nan 0.000 0.415 350 L N 0.598 121.791 121.223 -0.049 0.000 2.027 350 L HA -0.146 4.194 4.340 -0.000 0.000 0.206 350 L C 2.244 179.138 176.870 0.041 0.000 1.074 350 L CA 2.024 56.868 54.840 0.007 0.000 0.745 350 L CB -0.634 41.444 42.059 0.032 0.000 0.898 350 L HN 0.200 nan 8.230 nan 0.000 0.433 351 E N -1.102 119.141 120.200 0.072 0.000 2.110 351 E HA -0.220 4.130 4.350 -0.000 0.000 0.193 351 E C 1.765 178.256 176.600 -0.182 0.000 0.988 351 E CA 1.638 58.030 56.400 -0.014 0.000 0.804 351 E CB -0.140 29.604 29.700 0.073 0.000 0.745 351 E HN 0.651 nan 8.360 nan 0.000 0.458 352 H N -1.207 117.993 119.070 0.216 0.000 2.586 352 H HA 0.285 4.841 4.556 -0.000 0.000 0.273 352 H C 0.459 175.944 175.328 0.261 0.000 0.997 352 H CA 0.509 56.701 56.048 0.240 0.000 1.177 352 H CB 0.488 30.427 29.762 0.295 0.000 1.471 352 H HN 0.257 nan 8.280 nan 0.000 0.538 353 G N 2.080 111.028 108.800 0.247 0.000 2.381 353 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.281 353 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.281 353 G C -0.299 174.763 174.900 0.270 0.000 0.984 353 G CA 0.736 45.939 45.100 0.172 0.000 1.339 353 G HN 0.531 nan 8.290 nan 0.000 0.485 354 F N -1.251 118.686 119.950 -0.021 0.000 2.744 354 F HA 0.751 5.278 4.527 -0.000 0.000 0.311 354 F C -1.121 174.586 175.800 -0.156 0.000 1.144 354 F CA -2.085 55.878 58.000 -0.061 0.000 0.938 354 F CB 0.983 39.961 39.000 -0.037 0.000 1.292 354 F HN 0.137 nan 8.300 nan 0.000 0.444 355 I N 2.906 123.301 120.570 -0.292 0.000 2.389 355 I HA 0.646 4.816 4.170 -0.000 0.000 0.288 355 I C 0.146 176.106 176.117 -0.261 0.000 0.999 355 I CA -1.061 59.914 61.300 -0.541 0.000 1.129 355 I CB 1.702 39.496 38.000 -0.343 0.000 1.288 355 I HN 0.969 nan 8.210 nan 0.000 0.444 356 A N 9.155 131.745 122.820 -0.384 0.000 2.425 356 A HA 0.506 4.826 4.320 -0.000 0.000 0.249 356 A C -2.338 175.232 177.584 -0.023 0.000 1.084 356 A CA -1.054 50.959 52.037 -0.039 0.000 0.781 356 A CB -0.301 18.661 19.000 -0.064 0.000 1.019 356 A HN 0.431 nan 8.150 nan 0.000 0.490 357 P HA 0.129 nan 4.420 nan 0.000 0.277 357 P C -0.365 176.957 177.300 0.036 0.000 1.240 357 P CA -0.210 62.909 63.100 0.031 0.000 0.798 357 P CB 1.192 32.909 31.700 0.027 0.000 0.979 358 S N 2.514 118.251 115.700 0.062 0.000 2.464 358 S HA 0.365 4.835 4.470 -0.000 0.000 0.313 358 S C 0.644 175.274 174.600 0.051 0.000 1.078 358 S CA -0.813 57.433 58.200 0.078 0.000 1.096 358 S CB -1.367 61.931 63.200 0.162 0.000 1.032 358 S HN 0.336 nan 8.310 nan 0.000 0.498 359 I N 1.724 122.304 120.570 0.017 0.000 3.276 359 I HA 0.476 4.646 4.170 -0.000 0.000 0.306 359 I C 0.364 176.479 176.117 -0.003 0.000 1.060 359 I CA -0.620 60.683 61.300 0.006 0.000 1.133 359 I CB 0.264 38.258 38.000 -0.009 0.000 1.473 359 I HN 0.475 nan 8.210 nan 0.000 0.649 360 N N 0.871 119.566 118.700 -0.009 0.000 2.741 360 N HA -0.176 4.564 4.740 -0.000 0.000 0.250 360 N C -0.634 174.873 175.510 -0.005 0.000 1.115 360 N CA 0.936 53.971 53.050 -0.024 0.000 0.724 360 N CB -1.522 36.927 38.487 -0.064 0.000 1.090 360 N HN 0.596 nan 8.380 nan 0.000 0.558 361 I N 1.000 121.585 120.570 0.026 0.000 2.268 361 I HA 0.065 4.235 4.170 -0.000 0.000 0.290 361 I C 1.342 177.490 176.117 0.051 0.000 1.125 361 I CA -0.176 61.156 61.300 0.054 0.000 1.236 361 I CB 0.441 38.489 38.000 0.081 0.000 1.469 361 I HN 0.015 nan 8.210 nan 0.000 0.512 362 E N 3.441 123.674 120.200 0.056 0.000 2.170 362 E HA -0.017 4.333 4.350 -0.000 0.000 0.191 362 E C 0.515 177.162 176.600 0.077 0.000 0.981 362 E CA 0.674 57.108 56.400 0.056 0.000 0.830 362 E CB 0.450 30.178 29.700 0.048 0.000 0.775 362 E HN 0.505 nan 8.360 nan 0.000 0.470 363 E N 1.001 121.266 120.200 0.108 0.000 2.343 363 E HA 0.147 4.497 4.350 -0.000 0.000 0.260 363 E C -1.496 175.158 176.600 0.089 0.000 0.908 363 E CA -0.587 55.878 56.400 0.107 0.000 0.814 363 E CB 1.054 30.854 29.700 0.167 0.000 1.302 363 E HN -0.064 nan 8.360 nan 0.000 0.408 364 L N 3.913 125.175 121.223 0.065 0.000 2.453 364 L HA 0.139 4.479 4.340 -0.000 0.000 0.272 364 L C 0.204 177.100 176.870 0.044 0.000 1.182 364 L CA 0.505 55.380 54.840 0.058 0.000 0.858 364 L CB 0.738 42.815 42.059 0.030 0.000 1.120 364 L HN 0.559 nan 8.230 nan 0.000 0.474 365 D N 3.117 123.550 120.400 0.054 0.000 2.414 365 D HA -0.048 4.592 4.640 -0.000 0.000 0.242 365 D C 0.776 177.085 176.300 0.015 0.000 1.129 365 D CA 0.134 54.156 54.000 0.036 0.000 0.885 365 D CB 0.950 41.791 40.800 0.068 0.000 1.198 365 D HN 0.715 nan 8.370 nan 0.000 0.437 366 E N 1.819 122.024 120.200 0.008 0.000 2.097 366 E HA -0.247 4.103 4.350 -0.000 0.000 0.196 366 E C 1.477 178.076 176.600 -0.002 0.000 1.000 366 E CA 1.138 57.539 56.400 0.003 0.000 0.804 366 E CB 0.041 29.743 29.700 0.003 0.000 0.740 366 E HN 0.566 nan 8.360 nan 0.000 0.454 367 Q N -0.546 119.256 119.800 0.005 0.000 2.482 367 Q HA 0.083 4.423 4.340 -0.000 0.000 0.209 367 Q C 1.130 177.117 176.000 -0.022 0.000 0.961 367 Q CA 0.449 56.253 55.803 0.001 0.000 0.945 367 Q CB 0.427 29.175 28.738 0.017 0.000 1.012 367 Q HN 0.188 nan 8.270 nan 0.000 0.515 368 A N 0.232 123.026 122.820 -0.043 0.000 2.430 368 A HA 0.473 4.793 4.320 -0.000 0.000 0.243 368 A C 0.751 178.278 177.584 -0.095 0.000 1.254 368 A CA -0.168 51.801 52.037 -0.113 0.000 0.914 368 A CB 0.334 19.227 19.000 -0.179 0.000 0.998 368 A HN 0.257 nan 8.150 nan 0.000 0.515 369 A N -1.108 121.680 122.820 -0.052 0.000 2.445 369 A HA 0.476 4.796 4.320 -0.000 0.000 0.242 369 A C 1.623 179.182 177.584 -0.041 0.000 1.075 369 A CA 0.635 52.648 52.037 -0.039 0.000 0.777 369 A CB -0.342 18.645 19.000 -0.021 0.000 1.013 369 A HN 1.889 nan 8.150 nan 0.000 0.493 370 G N 0.393 109.171 108.800 -0.037 0.000 2.253 370 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.251 370 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.251 370 G C 0.148 175.020 174.900 -0.046 0.000 0.998 370 G CA 0.424 45.505 45.100 -0.033 0.000 0.621 370 G HN 0.797 nan 8.290 nan 0.000 0.524 371 L N 0.584 121.766 121.223 -0.069 0.000 2.360 371 L HA 0.491 4.831 4.340 -0.000 0.000 0.271 371 L C 0.459 177.276 176.870 -0.089 0.000 1.057 371 L CA -0.981 53.804 54.840 -0.091 0.000 0.803 371 L CB 1.275 43.253 42.059 -0.135 0.000 1.207 371 L HN 0.136 nan 8.230 nan 0.000 0.445 372 N N 3.137 121.787 118.700 -0.083 0.000 2.807 372 N HA 0.156 4.896 4.740 -0.000 0.000 0.259 372 N C -0.785 174.690 175.510 -0.058 0.000 1.149 372 N CA -0.317 52.697 53.050 -0.059 0.000 1.042 372 N CB 0.056 38.517 38.487 -0.043 0.000 1.367 372 N HN 0.297 nan 8.380 nan 0.000 0.516 373 I N 3.504 124.032 120.570 -0.069 0.000 2.322 373 I HA 0.118 4.288 4.170 -0.000 0.000 0.292 373 I C 0.162 176.284 176.117 0.010 0.000 1.060 373 I CA -0.677 60.592 61.300 -0.050 0.000 1.309 373 I CB 0.499 38.439 38.000 -0.101 0.000 1.415 373 I HN 0.073 nan 8.210 nan 0.000 0.492 374 V N 7.214 127.155 119.914 0.045 0.000 2.446 374 V HA 0.047 4.167 4.120 -0.000 0.000 0.276 374 V C 1.444 177.568 176.094 0.051 0.000 1.030 374 V CA 0.133 62.460 62.300 0.045 0.000 1.033 374 V CB 0.522 32.376 31.823 0.051 0.000 0.993 374 V HN 0.901 nan 8.190 nan 0.000 0.477 375 T N 0.840 115.416 114.554 0.038 0.000 3.134 375 T HA 0.298 4.648 4.350 -0.000 0.000 0.260 375 T C 0.155 174.871 174.700 0.028 0.000 1.027 375 T CA -0.284 61.838 62.100 0.038 0.000 0.913 375 T CB -0.262 68.627 68.868 0.035 0.000 1.046 375 T HN 0.832 nan 8.240 nan 0.000 0.553 376 E N 0.025 120.240 120.200 0.026 0.000 2.335 376 E HA 0.366 4.716 4.350 -0.000 0.000 0.280 376 E C -1.427 175.192 176.600 0.031 0.000 0.918 376 E CA -1.082 55.332 56.400 0.023 0.000 0.765 376 E CB 0.766 30.476 29.700 0.016 0.000 1.218 376 E HN -0.096 nan 8.360 nan 0.000 0.425 377 T N 2.500 117.077 114.554 0.038 0.000 2.849 377 T HA 0.083 4.433 4.350 -0.000 0.000 0.289 377 T C -0.374 174.365 174.700 0.065 0.000 1.010 377 T CA 0.581 62.725 62.100 0.073 0.000 1.161 377 T CB 0.140 69.037 68.868 0.049 0.000 0.989 377 T HN 0.447 nan 8.240 nan 0.000 0.523 378 T N 4.181 118.788 114.554 0.089 0.000 2.890 378 T HA 0.218 4.568 4.350 -0.000 0.000 0.295 378 T C -0.550 174.207 174.700 0.095 0.000 0.993 378 T CA -0.913 61.224 62.100 0.062 0.000 0.979 378 T CB 1.092 69.977 68.868 0.028 0.000 0.967 378 T HN 0.454 nan 8.240 nan 0.000 0.441 379 D N 2.928 123.378 120.400 0.085 0.000 2.348 379 D HA 0.385 5.025 4.640 -0.000 0.000 0.253 379 D C 0.347 176.687 176.300 0.067 0.000 1.161 379 D CA 0.160 54.222 54.000 0.104 0.000 0.876 379 D CB 1.111 41.952 40.800 0.069 0.000 1.160 379 D HN 0.366 nan 8.370 nan 0.000 0.459 380 R N 1.122 121.662 120.500 0.067 0.000 2.594 380 R HA 0.124 4.464 4.340 -0.000 0.000 0.265 380 R C -1.205 175.114 176.300 0.032 0.000 1.070 380 R CA -0.610 55.510 56.100 0.033 0.000 0.909 380 R CB 1.531 31.837 30.300 0.010 0.000 1.243 380 R HN 0.243 nan 8.270 nan 0.000 0.455 381 E N 4.678 124.895 120.200 0.027 0.000 2.070 381 E HA 0.185 4.535 4.350 -0.000 0.000 0.282 381 E C -0.645 175.966 176.600 0.017 0.000 1.104 381 E CA -0.220 56.195 56.400 0.025 0.000 0.876 381 E CB 0.462 30.176 29.700 0.023 0.000 1.055 381 E HN 0.369 nan 8.360 nan 0.000 0.401 382 L N 2.943 124.173 121.223 0.012 0.000 2.399 382 L HA 0.350 4.690 4.340 -0.000 0.000 0.265 382 L C 0.999 177.881 176.870 0.020 0.000 1.089 382 L CA -0.467 54.381 54.840 0.014 0.000 0.802 382 L CB 1.580 43.641 42.059 0.004 0.000 1.180 382 L HN 0.512 nan 8.230 nan 0.000 0.454 383 T N -1.731 112.838 114.554 0.025 0.000 3.115 383 T HA 0.096 4.446 4.350 -0.000 0.000 0.256 383 T C 0.205 174.923 174.700 0.029 0.000 0.970 383 T CA 0.257 62.371 62.100 0.024 0.000 1.010 383 T CB 0.724 69.605 68.868 0.020 0.000 1.151 383 T HN 0.617 nan 8.240 nan 0.000 0.479 384 T N 2.826 117.403 114.554 0.037 0.000 2.881 384 T HA 0.691 5.041 4.350 -0.000 0.000 0.290 384 T C -0.873 173.858 174.700 0.052 0.000 1.000 384 T CA -0.714 61.411 62.100 0.042 0.000 0.978 384 T CB 2.156 71.050 68.868 0.044 0.000 0.997 384 T HN 0.233 nan 8.240 nan 0.000 0.443 385 V N 0.942 120.887 119.914 0.053 0.000 2.823 385 V HA 0.857 4.977 4.120 -0.000 0.000 0.312 385 V C -0.720 175.383 176.094 0.015 0.000 1.072 385 V CA -1.208 61.125 62.300 0.055 0.000 0.937 385 V CB 2.143 34.044 31.823 0.130 0.000 1.013 385 V HN 0.991 nan 8.190 nan 0.000 0.430 386 M N 3.189 122.761 119.600 -0.047 0.000 2.465 386 M HA 0.743 5.223 4.480 -0.000 0.000 0.316 386 M C -0.903 175.333 176.300 -0.107 0.000 1.121 386 M CA -0.275 55.001 55.300 -0.040 0.000 0.934 386 M CB 2.131 34.738 32.600 0.012 0.000 1.692 386 M HN 0.978 nan 8.290 nan 0.000 0.444 387 S N 3.590 119.243 115.700 -0.079 0.000 2.647 387 S HA 0.565 5.035 4.470 -0.000 0.000 0.300 387 S C -1.351 173.156 174.600 -0.155 0.000 1.129 387 S CA -0.805 57.326 58.200 -0.115 0.000 1.029 387 S CB 0.917 64.065 63.200 -0.086 0.000 1.007 387 S HN 0.849 nan 8.310 nan 0.000 0.484 388 N N 2.277 120.834 118.700 -0.238 0.000 2.443 388 N HA 0.496 5.236 4.740 -0.000 0.000 0.295 388 N C -1.277 173.857 175.510 -0.627 0.000 1.076 388 N CA -0.390 52.365 53.050 -0.492 0.000 0.919 388 N CB 1.855 39.949 38.487 -0.656 0.000 1.176 388 N HN 0.475 nan 8.380 nan 0.000 0.487 389 S N 1.672 116.880 115.700 -0.820 0.000 2.789 389 S HA 0.481 4.951 4.470 -0.000 0.000 0.286 389 S C -1.275 172.884 174.600 -0.734 0.000 1.153 389 S CA -0.594 57.241 58.200 -0.608 0.000 1.084 389 S CB 0.150 63.166 63.200 -0.307 0.000 1.036 389 S HN 0.286 nan 8.310 nan 0.000 0.484 390 F N 1.819 121.290 119.950 -0.799 0.000 2.434 390 F HA 0.644 5.171 4.527 -0.000 0.000 0.355 390 F C 0.821 176.246 175.800 -0.626 0.000 1.115 390 F CA -1.050 56.544 58.000 -0.677 0.000 1.010 390 F CB 1.161 39.785 39.000 -0.626 0.000 1.234 390 F HN 0.595 nan 8.300 nan 0.000 0.439 391 G N 1.448 110.206 108.800 -0.071 0.000 2.491 391 G HA2 0.560 4.520 3.960 -0.000 0.000 0.327 391 G HA3 0.560 4.520 3.960 -0.000 0.000 0.327 391 G C -0.724 174.189 174.900 0.022 0.000 1.189 391 G CA -0.665 44.442 45.100 0.011 0.000 0.956 391 G HN 0.242 nan 8.290 nan 0.000 0.491 392 F N -0.111 119.944 119.950 0.176 0.000 2.626 392 F HA 0.335 4.862 4.527 -0.000 0.000 0.354 392 F C 1.685 177.554 175.800 0.116 0.000 1.168 392 F CA 1.614 59.708 58.000 0.157 0.000 1.368 392 F CB 0.562 39.672 39.000 0.183 0.000 1.092 392 F HN 0.854 nan 8.300 nan 0.000 0.612 393 G N 0.251 109.209 108.800 0.265 0.000 2.157 393 G HA2 0.061 4.021 3.960 -0.000 0.000 0.239 393 G HA3 0.061 4.021 3.960 -0.000 0.000 0.239 393 G C 0.893 175.856 174.900 0.105 0.000 0.982 393 G CA 0.139 45.337 45.100 0.164 0.000 0.650 393 G HN 1.911 nan 8.290 nan 0.000 0.527 394 G N -1.133 107.716 108.800 0.082 0.000 2.198 394 G HA2 0.048 4.008 3.960 -0.000 0.000 0.260 394 G HA3 0.048 4.008 3.960 -0.000 0.000 0.260 394 G C 0.464 175.392 174.900 0.048 0.000 1.025 394 G CA 1.481 46.601 45.100 0.033 0.000 0.769 394 G HN 2.067 nan 8.290 nan 0.000 0.507 395 T N 0.491 115.103 114.554 0.097 0.000 2.744 395 T HA 0.547 4.897 4.350 -0.000 0.000 0.291 395 T C 0.054 174.873 174.700 0.198 0.000 0.957 395 T CA -0.542 61.653 62.100 0.159 0.000 1.002 395 T CB 0.236 69.231 68.868 0.212 0.000 0.919 395 T HN 0.298 nan 8.240 nan 0.000 0.468 396 N N 3.212 122.043 118.700 0.217 0.000 2.314 396 N HA 0.711 5.451 4.740 -0.000 0.000 0.304 396 N C -1.161 174.457 175.510 0.180 0.000 1.073 396 N CA -0.606 52.605 53.050 0.269 0.000 0.822 396 N CB 2.067 40.671 38.487 0.194 0.000 1.280 396 N HN 0.762 nan 8.380 nan 0.000 0.489 397 A N 0.780 123.612 122.820 0.019 0.000 2.455 397 A HA 0.762 5.082 4.320 -0.000 0.000 0.300 397 A C -0.815 176.719 177.584 -0.084 0.000 1.040 397 A CA -0.495 51.460 52.037 -0.137 0.000 0.697 397 A CB 1.419 20.074 19.000 -0.575 0.000 1.265 397 A HN 0.450 nan 8.150 nan 0.000 0.407 398 T N 2.124 116.685 114.554 0.012 0.000 2.916 398 T HA 0.615 4.965 4.350 -0.000 0.000 0.298 398 T C -0.972 173.779 174.700 0.085 0.000 1.031 398 T CA -0.250 61.856 62.100 0.010 0.000 0.993 398 T CB 0.928 69.828 68.868 0.054 0.000 1.045 398 T HN 0.511 nan 8.240 nan 0.000 0.454 399 L N 2.573 123.820 121.223 0.040 0.000 2.365 399 L HA 0.788 5.128 4.340 -0.000 0.000 0.273 399 L C -0.849 176.044 176.870 0.038 0.000 1.000 399 L CA -1.159 53.719 54.840 0.063 0.000 0.819 399 L CB 2.142 44.207 42.059 0.009 0.000 1.284 399 L HN 0.321 nan 8.230 nan 0.000 0.418 400 V N 3.840 123.787 119.914 0.055 0.000 2.444 400 V HA 0.516 4.636 4.120 -0.000 0.000 0.294 400 V C -0.166 175.950 176.094 0.036 0.000 1.022 400 V CA -0.313 62.015 62.300 0.047 0.000 0.850 400 V CB 1.825 33.685 31.823 0.063 0.000 0.992 400 V HN 0.708 nan 8.190 nan 0.000 0.426 401 M N 5.323 124.939 119.600 0.027 0.000 2.393 401 M HA 0.668 5.148 4.480 -0.000 0.000 0.316 401 M C -0.528 175.788 176.300 0.027 0.000 1.087 401 M CA -0.408 54.905 55.300 0.021 0.000 0.937 401 M CB 2.489 35.094 32.600 0.009 0.000 1.668 401 M HN 0.581 nan 8.290 nan 0.000 0.438 402 R N 1.519 122.033 120.500 0.023 0.000 2.725 402 R HA 0.498 4.838 4.340 -0.000 0.000 0.277 402 R C -1.134 175.174 176.300 0.015 0.000 0.987 402 R CA -0.803 55.310 56.100 0.023 0.000 0.901 402 R CB 2.043 32.357 30.300 0.023 0.000 1.207 402 R HN 0.646 nan 8.270 nan 0.000 0.463 403 K N 1.952 122.360 120.400 0.013 0.000 2.380 403 K HA 0.051 4.371 4.320 -0.000 0.000 0.267 403 K C -0.399 176.197 176.600 -0.007 0.000 0.990 403 K CA -0.245 56.042 56.287 0.001 0.000 0.946 403 K CB 0.430 32.930 32.500 0.001 0.000 0.937 403 K HN 0.266 nan 8.250 nan 0.000 0.491 404 L N 3.934 125.144 121.223 -0.022 0.000 2.313 404 L HA 0.076 4.416 4.340 -0.000 0.000 0.282 404 L C -0.656 176.202 176.870 -0.019 0.000 1.092 404 L CA -0.240 54.586 54.840 -0.023 0.000 0.831 404 L CB 0.412 42.447 42.059 -0.039 0.000 1.159 404 L HN 0.413 nan 8.230 nan 0.000 0.442 405 K N 4.421 124.815 120.400 -0.012 0.000 2.559 405 K HA 0.084 4.404 4.320 -0.000 0.000 0.279 405 K C 0.290 176.883 176.600 -0.012 0.000 0.967 405 K CA 0.393 56.675 56.287 -0.009 0.000 1.000 405 K CB -0.394 32.103 32.500 -0.005 0.000 0.890 405 K HN 0.824 nan 8.250 nan 0.000 0.501 406 D N 0.000 120.394 120.400 -0.010 0.000 6.856 406 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 406 D CA 0.000 53.994 54.000 -0.010 0.000 0.868 406 D CB 0.000 40.795 40.800 -0.008 0.000 0.688 406 D HN 0.000 nan 8.370 nan 0.000 0.683