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 3bw7_1_A DATA FIRST_RESID 32 DATA SEQUENCE RPWPASLAAL ALDGKLRTDS NATAAASTDF GNITSALPAA VLYPSSTADL DATA SEQUENCE VALLSAANST PGWPYTIAFR GRGHSLMGQA FAPGGVVVNM ASLGDAAAPP DATA SEQUENCE RINVSADGRY VDAGGEQVWI DVLRASLARG VAPRSWTDYL YLTVGGTLSN DATA SEQUENCE AGISGQAFRH GPQISNVLEM DVITGHGEMV TCSKQLNADL FDAVLGGLGQ DATA SEQUENCE FGVITRARIA VEPAPARARW VRLVYTDFAA FSADQERLTA PRXXXXXXSF DATA SEQUENCE GPMSYVEGSV FVNQSLATDL ANTGFFTDAD VARIVALAGE RNATTVYSIE DATA SEQUENCE ATLNYDNATA AAAAVDQELA SVLGTLSYVE GFAFQRDVAY AAFLDRVHGE DATA SEQUENCE EVALNKLGLW RVPHPWLNMF VPRSRIADFD RGVFKGILQG TDIVGPLIVY DATA SEQUENCE PLNKSMWDDG MSAATPSEDV FYAVSLLFSS VAPNDLARLQ EQNRRILRFC DATA SEQUENCE DLAGIQYKTY LARHTDRSDW VRHFGAAKWN RFVEMKNKYD PKRLLSPGQD DATA SEQUENCE IFN 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 32 R HA 0.000 nan 4.340 nan 0.000 0.208 32 R C 0.000 176.457 176.300 0.261 0.000 0.893 32 R CA 0.000 56.187 56.100 0.145 0.000 0.921 32 R CB 0.000 30.361 30.300 0.102 0.000 0.687 33 P HA 0.188 nan 4.420 nan 0.000 0.271 33 P C -1.112 176.419 177.300 0.385 0.000 1.218 33 P CA 0.068 63.332 63.100 0.274 0.000 0.780 33 P CB 0.178 31.980 31.700 0.169 0.000 0.901 34 W N 2.747 124.101 121.300 0.090 0.000 2.433 34 W HA 0.377 5.029 4.660 -0.014 0.000 0.315 34 W C -1.949 174.630 176.519 0.099 0.000 1.087 34 W CA -1.761 55.654 57.345 0.117 0.000 1.205 34 W CB -0.295 29.225 29.460 0.100 0.000 1.288 34 W HN 0.328 nan 8.180 nan 0.000 0.504 35 P HA 0.156 nan 4.420 nan 0.000 0.272 35 P C 0.583 178.006 177.300 0.205 0.000 1.223 35 P CA 0.074 63.282 63.100 0.180 0.000 0.784 35 P CB 0.961 32.726 31.700 0.108 0.000 0.923 36 A N 2.167 125.074 122.820 0.145 0.000 1.892 36 A HA -0.230 4.083 4.320 -0.011 0.000 0.218 36 A C 2.166 179.829 177.584 0.132 0.000 1.188 36 A CA 2.489 54.603 52.037 0.128 0.000 0.631 36 A CB -1.739 17.312 19.000 0.086 0.000 0.822 36 A HN 0.637 nan 8.150 nan 0.000 0.447 37 S N -0.711 115.054 115.700 0.108 0.000 2.419 37 S HA -0.107 4.357 4.470 -0.011 0.000 0.233 37 S C 1.772 176.451 174.600 0.132 0.000 1.016 37 S CA 1.419 59.677 58.200 0.097 0.000 0.974 37 S CB -0.465 62.773 63.200 0.064 0.000 0.786 37 S HN 0.429 nan 8.310 nan 0.000 0.492 38 L N 1.765 123.092 121.223 0.174 0.000 2.095 38 L HA 0.362 4.695 4.340 -0.011 0.000 0.204 38 L C 2.639 179.759 176.870 0.417 0.000 1.080 38 L CA 1.474 56.452 54.840 0.230 0.000 0.759 38 L CB -1.119 41.040 42.059 0.165 0.000 0.914 38 L HN 0.314 nan 8.230 nan 0.000 0.439 39 A N -0.423 122.675 122.820 0.464 0.000 1.969 39 A HA -0.056 4.257 4.320 -0.011 0.000 0.218 39 A C 2.421 180.121 177.584 0.193 0.000 1.169 39 A CA 1.471 53.730 52.037 0.369 0.000 0.635 39 A CB -1.040 18.084 19.000 0.206 0.000 0.810 39 A HN 0.532 nan 8.150 nan 0.000 0.445 40 A N -0.068 122.848 122.820 0.161 0.000 1.972 40 A HA -0.054 4.260 4.320 -0.011 0.000 0.219 40 A C 2.110 179.763 177.584 0.114 0.000 1.169 40 A CA 1.452 53.554 52.037 0.108 0.000 0.635 40 A CB -0.561 18.493 19.000 0.090 0.000 0.810 40 A HN 0.497 nan 8.150 nan 0.000 0.446 41 L N -1.048 120.267 121.223 0.154 0.000 2.046 41 L HA -0.183 4.150 4.340 -0.011 0.000 0.208 41 L C 3.076 180.038 176.870 0.153 0.000 1.077 41 L CA 1.118 56.049 54.840 0.151 0.000 0.747 41 L CB -0.616 41.546 42.059 0.171 0.000 0.896 41 L HN 0.438 nan 8.230 nan 0.000 0.432 42 A N -0.108 122.824 122.820 0.186 0.000 1.897 42 A HA -0.175 4.138 4.320 -0.011 0.000 0.215 42 A C 2.195 179.815 177.584 0.059 0.000 1.181 42 A CA 1.186 53.302 52.037 0.133 0.000 0.620 42 A CB -0.598 18.467 19.000 0.107 0.000 0.821 42 A HN 0.286 nan 8.150 nan 0.000 0.443 43 L N 0.189 121.439 121.223 0.046 0.000 2.079 43 L HA -0.154 4.179 4.340 -0.011 0.000 0.210 43 L C 0.984 177.870 176.870 0.028 0.000 1.081 43 L CA 2.112 56.965 54.840 0.021 0.000 0.752 43 L CB -0.438 41.633 42.059 0.021 0.000 0.896 43 L HN 0.340 nan 8.230 nan 0.000 0.433 44 D N -0.479 119.949 120.400 0.046 0.000 2.349 44 D HA 0.124 4.757 4.640 -0.011 0.000 0.224 44 D C 1.517 177.840 176.300 0.039 0.000 1.029 44 D CA 0.915 54.940 54.000 0.041 0.000 0.879 44 D CB 0.061 40.892 40.800 0.051 0.000 0.906 44 D HN 0.480 nan 8.370 nan 0.000 0.528 45 G N 1.691 110.518 108.800 0.044 0.000 2.143 45 G HA2 -0.366 3.588 3.960 -0.011 0.000 0.248 45 G HA3 -0.366 3.588 3.960 -0.011 0.000 0.248 45 G C 1.092 176.029 174.900 0.062 0.000 0.991 45 G CA 0.455 45.576 45.100 0.036 0.000 0.689 45 G HN 0.344 nan 8.290 nan 0.000 0.522 46 K N -1.156 119.309 120.400 0.108 0.000 2.314 46 K HA 0.261 4.574 4.320 -0.011 0.000 0.198 46 K C 0.771 177.518 176.600 0.246 0.000 1.045 46 K CA 0.281 56.674 56.287 0.177 0.000 0.988 46 K CB 0.268 32.863 32.500 0.158 0.000 0.783 46 K HN 0.256 nan 8.250 nan 0.000 0.484 47 L N 2.428 123.765 121.223 0.191 0.000 2.272 47 L HA 0.274 4.608 4.340 -0.011 0.000 0.284 47 L C -0.415 176.555 176.870 0.166 0.000 1.045 47 L CA 0.175 55.128 54.840 0.187 0.000 0.842 47 L CB 0.874 43.052 42.059 0.199 0.000 1.224 47 L HN 0.054 nan 8.230 nan 0.000 0.430 48 R N 1.391 122.013 120.500 0.202 0.000 2.532 48 R HA 0.484 4.817 4.340 -0.011 0.000 0.295 48 R C 0.737 177.102 176.300 0.110 0.000 0.968 48 R CA -0.240 55.953 56.100 0.156 0.000 0.916 48 R CB 1.612 32.037 30.300 0.208 0.000 1.124 48 R HN 0.592 nan 8.270 nan 0.000 0.463 49 T N -3.571 111.024 114.554 0.070 0.000 3.058 49 T HA 0.023 4.366 4.350 -0.011 0.000 0.278 49 T C 0.248 174.968 174.700 0.034 0.000 0.974 49 T CA -0.624 61.501 62.100 0.042 0.000 0.893 49 T CB -0.073 68.812 68.868 0.028 0.000 1.138 49 T HN 0.639 nan 8.240 nan 0.000 0.529 50 D N 2.315 122.739 120.400 0.040 0.000 2.382 50 D HA 0.029 4.662 4.640 -0.011 0.000 0.240 50 D C 1.397 177.715 176.300 0.029 0.000 1.146 50 D CA 0.332 54.349 54.000 0.028 0.000 0.897 50 D CB 1.499 42.314 40.800 0.024 0.000 1.197 50 D HN 0.273 nan 8.370 nan 0.000 0.432 51 S N 2.136 117.847 115.700 0.018 0.000 2.400 51 S HA -0.279 4.185 4.470 -0.011 0.000 0.232 51 S C 1.355 175.968 174.600 0.021 0.000 1.025 51 S CA 1.148 59.355 58.200 0.013 0.000 0.993 51 S CB -0.455 62.748 63.200 0.005 0.000 0.808 51 S HN 0.502 nan 8.310 nan 0.000 0.478 52 N N 2.552 121.270 118.700 0.029 0.000 2.120 52 N HA 0.137 4.870 4.740 -0.011 0.000 0.188 52 N C 1.978 177.528 175.510 0.066 0.000 1.024 52 N CA 1.536 54.609 53.050 0.039 0.000 0.852 52 N CB -0.810 37.697 38.487 0.033 0.000 1.003 52 N HN 0.590 nan 8.380 nan 0.000 0.424 53 A N 0.077 122.950 122.820 0.088 0.000 1.855 53 A HA -0.141 4.173 4.320 -0.011 0.000 0.215 53 A C 2.333 179.978 177.584 0.102 0.000 1.191 53 A CA 2.269 54.400 52.037 0.156 0.000 0.613 53 A CB -1.410 17.720 19.000 0.218 0.000 0.829 53 A HN 0.493 nan 8.150 nan 0.000 0.442 54 T N -1.935 112.652 114.554 0.056 0.000 2.788 54 T HA 0.040 4.384 4.350 -0.011 0.000 0.268 54 T C 1.924 176.617 174.700 -0.012 0.000 1.044 54 T CA 1.742 63.849 62.100 0.012 0.000 1.139 54 T CB -0.588 68.277 68.868 -0.005 0.000 0.867 54 T HN 0.557 nan 8.240 nan 0.000 0.454 55 A N 1.968 124.788 122.820 -0.001 0.000 1.898 55 A HA 0.384 4.698 4.320 -0.011 0.000 0.216 55 A C 2.836 180.419 177.584 -0.001 0.000 1.181 55 A CA 1.759 53.786 52.037 -0.017 0.000 0.620 55 A CB -1.404 17.594 19.000 -0.004 0.000 0.819 55 A HN 0.777 nan 8.150 nan 0.000 0.442 56 A N -0.535 122.308 122.820 0.038 0.000 2.019 56 A HA 0.250 4.564 4.320 -0.011 0.000 0.219 56 A C 2.040 179.665 177.584 0.069 0.000 1.164 56 A CA 1.709 53.786 52.037 0.066 0.000 0.644 56 A CB -0.585 18.476 19.000 0.101 0.000 0.805 56 A HN 1.122 nan 8.150 nan 0.000 0.449 57 A N -0.158 122.688 122.820 0.044 0.000 2.415 57 A HA 0.380 4.694 4.320 -0.011 0.000 0.248 57 A C 1.633 179.208 177.584 -0.016 0.000 1.299 57 A CA 0.851 52.920 52.037 0.053 0.000 0.899 57 A CB -0.442 18.574 19.000 0.026 0.000 0.997 57 A HN 0.788 nan 8.150 nan 0.000 0.506 58 S N -1.024 114.602 115.700 -0.124 0.000 2.539 58 S HA 0.168 4.632 4.470 -0.011 0.000 0.221 58 S C 0.689 174.935 174.600 -0.590 0.000 0.987 58 S CA 0.535 58.465 58.200 -0.451 0.000 0.929 58 S CB -0.348 62.666 63.200 -0.310 0.000 0.832 58 S HN 0.622 nan 8.310 nan 0.000 0.492 59 T N 0.232 114.763 114.554 -0.038 0.000 2.906 59 T HA 0.731 5.074 4.350 -0.011 0.000 0.295 59 T C -1.520 173.431 174.700 0.417 0.000 1.075 59 T CA -0.602 61.628 62.100 0.218 0.000 1.005 59 T CB 2.116 71.029 68.868 0.076 0.000 1.136 59 T HN 0.282 nan 8.240 nan 0.000 0.498 60 D N -0.130 120.461 120.400 0.318 0.000 2.732 60 D HA 0.353 4.987 4.640 -0.011 0.000 0.292 60 D C 0.545 176.849 176.300 0.007 0.000 1.135 60 D CA -1.265 52.804 54.000 0.115 0.000 1.071 60 D CB 0.172 40.934 40.800 -0.063 0.000 1.457 60 D HN 0.356 nan 8.370 nan 0.000 0.547 61 F N 0.754 120.554 119.950 -0.250 0.000 2.161 61 F HA 0.037 4.557 4.527 -0.012 0.000 0.300 61 F C 2.172 177.811 175.800 -0.269 0.000 1.089 61 F CA 2.464 60.233 58.000 -0.386 0.000 1.282 61 F CB -0.510 38.070 39.000 -0.699 0.000 1.010 61 F HN 0.479 nan 8.300 nan 0.000 0.485 62 G N -0.225 108.444 108.800 -0.219 0.000 2.469 62 G HA2 -0.392 3.561 3.960 -0.011 0.000 0.220 62 G HA3 -0.392 3.561 3.960 -0.011 0.000 0.220 62 G C 0.976 175.697 174.900 -0.298 0.000 1.136 62 G CA 0.996 45.928 45.100 -0.281 0.000 0.759 62 G HN 0.666 nan 8.290 nan 0.000 0.562 63 N N -1.123 117.453 118.700 -0.206 0.000 2.708 63 N HA -0.181 4.552 4.740 -0.011 0.000 0.249 63 N C 0.906 176.330 175.510 -0.142 0.000 1.097 63 N CA 0.577 53.521 53.050 -0.177 0.000 0.710 63 N CB -0.667 37.641 38.487 -0.297 0.000 1.032 63 N HN 0.477 nan 8.380 nan 0.000 0.551 64 I N -1.715 118.801 120.570 -0.089 0.000 3.971 64 I HA 0.058 4.222 4.170 -0.011 0.000 0.303 64 I C 1.029 177.142 176.117 -0.005 0.000 1.233 64 I CA 0.459 61.720 61.300 -0.065 0.000 1.346 64 I CB 1.033 38.987 38.000 -0.076 0.000 1.273 64 I HN 0.161 nan 8.210 nan 0.000 0.448 65 T N 0.366 114.955 114.554 0.058 0.000 2.924 65 T HA 0.636 4.980 4.350 -0.011 0.000 0.291 65 T C -0.820 174.043 174.700 0.270 0.000 1.045 65 T CA -0.418 61.763 62.100 0.135 0.000 1.015 65 T CB 1.398 70.360 68.868 0.157 0.000 1.103 65 T HN 0.237 nan 8.240 nan 0.000 0.496 66 S N 1.092 116.873 115.700 0.135 0.000 2.550 66 S HA 0.865 5.328 4.470 -0.011 0.000 0.270 66 S C -1.271 173.128 174.600 -0.334 0.000 1.145 66 S CA -0.780 57.310 58.200 -0.183 0.000 0.852 66 S CB 1.522 64.623 63.200 -0.165 0.000 1.119 66 S HN 1.298 nan 8.310 nan 0.000 0.465 67 A N 2.095 124.457 122.820 -0.763 0.000 2.456 67 A HA 0.639 4.952 4.320 -0.011 0.000 0.288 67 A C -1.093 176.238 177.584 -0.422 0.000 1.042 67 A CA -0.671 51.115 52.037 -0.419 0.000 0.738 67 A CB 0.843 19.725 19.000 -0.197 0.000 1.266 67 A HN 0.883 nan 8.150 nan 0.000 0.407 68 L N 4.606 125.693 121.223 -0.226 0.000 2.367 68 L HA 0.392 4.726 4.340 -0.011 0.000 0.275 68 L C -1.715 175.096 176.870 -0.099 0.000 1.129 68 L CA -1.418 53.327 54.840 -0.158 0.000 0.839 68 L CB 1.287 43.286 42.059 -0.099 0.000 1.133 68 L HN 0.543 nan 8.230 nan 0.000 0.453 69 P HA 0.187 nan 4.420 nan 0.000 0.280 69 P C -0.267 177.013 177.300 -0.035 0.000 1.272 69 P CA -0.558 62.518 63.100 -0.040 0.000 0.819 69 P CB 1.655 33.334 31.700 -0.035 0.000 1.122 70 A N 0.777 123.576 122.820 -0.036 0.000 2.021 70 A HA 0.432 4.745 4.320 -0.011 0.000 0.216 70 A C 1.052 178.592 177.584 -0.072 0.000 1.163 70 A CA 1.460 53.466 52.037 -0.051 0.000 0.676 70 A CB -0.638 18.320 19.000 -0.070 0.000 0.818 70 A HN 0.787 nan 8.150 nan 0.000 0.453 71 A N -1.985 120.784 122.820 -0.084 0.000 2.610 71 A HA 0.604 4.917 4.320 -0.011 0.000 0.291 71 A C -1.413 176.150 177.584 -0.036 0.000 1.086 71 A CA -0.350 51.657 52.037 -0.051 0.000 0.677 71 A CB 0.912 19.863 19.000 -0.082 0.000 1.278 71 A HN 0.491 nan 8.150 nan 0.000 0.414 72 V N 0.955 120.869 119.914 0.002 0.000 2.588 72 V HA 0.592 4.705 4.120 -0.011 0.000 0.304 72 V C -0.957 175.098 176.094 -0.065 0.000 1.042 72 V CA -0.485 61.773 62.300 -0.071 0.000 0.877 72 V CB 1.499 33.266 31.823 -0.093 0.000 0.996 72 V HN 0.914 nan 8.190 nan 0.000 0.425 73 L N 5.184 126.322 121.223 -0.142 0.000 2.307 73 L HA 0.586 4.919 4.340 -0.011 0.000 0.284 73 L C -1.218 175.542 176.870 -0.183 0.000 1.023 73 L CA 0.046 54.861 54.840 -0.041 0.000 0.810 73 L CB 1.088 43.161 42.059 0.024 0.000 1.231 73 L HN 0.597 nan 8.230 nan 0.000 0.423 74 Y N 6.385 126.725 120.300 0.065 0.000 2.944 74 Y HA 0.399 4.954 4.550 0.008 0.000 0.335 74 Y C -2.038 173.897 175.900 0.058 0.000 1.075 74 Y CA -2.238 55.899 58.100 0.061 0.000 1.240 74 Y CB 0.247 38.738 38.460 0.053 0.000 1.167 74 Y HN 0.517 nan 8.280 nan 0.000 0.555 75 P HA 0.020 nan 4.420 nan 0.000 0.271 75 P C 0.404 177.761 177.300 0.096 0.000 1.216 75 P CA 0.120 63.283 63.100 0.104 0.000 0.771 75 P CB 1.848 33.591 31.700 0.073 0.000 0.864 76 S N 0.916 116.663 115.700 0.078 0.000 2.524 76 S HA 0.193 4.657 4.470 -0.011 0.000 0.215 76 S C 0.651 175.275 174.600 0.041 0.000 0.986 76 S CA 0.062 58.299 58.200 0.061 0.000 0.911 76 S CB -0.332 62.902 63.200 0.056 0.000 0.805 76 S HN 0.706 nan 8.310 nan 0.000 0.501 77 S N 0.139 115.861 115.700 0.036 0.000 2.615 77 S HA 0.417 4.880 4.470 -0.011 0.000 0.269 77 S C 0.634 175.243 174.600 0.015 0.000 1.161 77 S CA -0.001 58.211 58.200 0.021 0.000 0.817 77 S CB 0.643 63.854 63.200 0.019 0.000 1.131 77 S HN 0.282 nan 8.310 nan 0.000 0.467 78 T N -1.225 113.329 114.554 0.001 0.000 2.962 78 T HA 0.059 4.402 4.350 -0.011 0.000 0.270 78 T C 1.984 176.683 174.700 -0.002 0.000 1.088 78 T CA 1.223 63.317 62.100 -0.010 0.000 1.127 78 T CB -0.868 67.985 68.868 -0.025 0.000 0.883 78 T HN 1.138 nan 8.240 nan 0.000 0.493 79 A N 2.317 125.141 122.820 0.006 0.000 1.972 79 A HA -0.110 4.204 4.320 -0.011 0.000 0.219 79 A C 2.144 179.740 177.584 0.020 0.000 1.169 79 A CA 1.628 53.672 52.037 0.011 0.000 0.635 79 A CB -0.690 18.319 19.000 0.015 0.000 0.810 79 A HN 0.464 nan 8.150 nan 0.000 0.446 80 D N 0.099 120.517 120.400 0.030 0.000 2.178 80 D HA -0.095 4.538 4.640 -0.011 0.000 0.201 80 D C 1.895 178.220 176.300 0.041 0.000 0.980 80 D CA 0.900 54.927 54.000 0.045 0.000 0.842 80 D CB -0.277 40.559 40.800 0.061 0.000 0.948 80 D HN 0.482 nan 8.370 nan 0.000 0.472 81 L N 0.180 121.422 121.223 0.031 0.000 2.109 81 L HA -0.095 4.238 4.340 -0.011 0.000 0.207 81 L C 2.503 179.380 176.870 0.012 0.000 1.086 81 L CA 0.439 55.298 54.840 0.032 0.000 0.760 81 L CB -0.312 41.752 42.059 0.008 0.000 0.910 81 L HN -0.073 nan 8.230 nan 0.000 0.437 82 V N 0.326 120.240 119.914 -0.000 0.000 2.343 82 V HA -0.302 3.811 4.120 -0.011 0.000 0.247 82 V C 2.789 178.873 176.094 -0.017 0.000 1.051 82 V CA 1.844 64.138 62.300 -0.010 0.000 1.036 82 V CB -0.805 31.013 31.823 -0.007 0.000 0.654 82 V HN 0.477 nan 8.190 nan 0.000 0.451 83 A N -0.168 122.650 122.820 -0.002 0.000 1.877 83 A HA -0.215 4.098 4.320 -0.011 0.000 0.216 83 A C 2.168 179.731 177.584 -0.035 0.000 1.186 83 A CA 2.222 54.258 52.037 -0.002 0.000 0.620 83 A CB -0.605 18.415 19.000 0.032 0.000 0.822 83 A HN 0.464 nan 8.150 nan 0.000 0.443 84 L N -0.212 120.996 121.223 -0.025 0.000 1.994 84 L HA -0.106 4.228 4.340 -0.011 0.000 0.208 84 L C 2.304 179.050 176.870 -0.206 0.000 1.071 84 L CA 1.889 56.690 54.840 -0.065 0.000 0.745 84 L CB -0.555 41.513 42.059 0.016 0.000 0.892 84 L HN 0.391 nan 8.230 nan 0.000 0.431 85 L N -1.056 120.088 121.223 -0.132 0.000 2.141 85 L HA -0.160 4.173 4.340 -0.011 0.000 0.209 85 L C 2.454 179.190 176.870 -0.225 0.000 1.094 85 L CA 1.183 55.917 54.840 -0.177 0.000 0.763 85 L CB -0.631 41.397 42.059 -0.052 0.000 0.908 85 L HN 0.257 nan 8.230 nan 0.000 0.437 86 S N -0.080 115.528 115.700 -0.154 0.000 2.368 86 S HA -0.123 4.340 4.470 -0.011 0.000 0.224 86 S C 2.239 176.722 174.600 -0.194 0.000 1.029 86 S CA 1.098 59.223 58.200 -0.125 0.000 0.988 86 S CB -0.239 62.923 63.200 -0.062 0.000 0.838 86 S HN 0.489 nan 8.310 nan 0.000 0.462 87 A N 1.853 124.523 122.820 -0.250 0.000 1.883 87 A HA 0.034 4.348 4.320 -0.011 0.000 0.217 87 A C 2.387 179.628 177.584 -0.571 0.000 1.186 87 A CA 1.846 53.709 52.037 -0.291 0.000 0.624 87 A CB -1.252 17.604 19.000 -0.240 0.000 0.822 87 A HN 0.518 nan 8.150 nan 0.000 0.444 88 A N 0.099 122.242 122.820 -1.128 0.000 1.908 88 A HA -0.251 4.062 4.320 -0.011 0.000 0.218 88 A C 1.975 179.160 177.584 -0.666 0.000 1.181 88 A CA 2.284 53.326 52.037 -1.658 0.000 0.627 88 A CB -0.783 17.168 19.000 -1.748 0.000 0.818 88 A HN 0.641 nan 8.150 nan 0.000 0.445 89 N N 0.049 118.499 118.700 -0.418 0.000 2.270 89 N HA -0.120 4.613 4.740 -0.011 0.000 0.181 89 N C 1.629 177.070 175.510 -0.115 0.000 1.016 89 N CA 1.870 54.790 53.050 -0.217 0.000 0.870 89 N CB -0.157 38.248 38.487 -0.138 0.000 0.979 89 N HN 0.463 nan 8.380 nan 0.000 0.431 90 S N -2.583 113.051 115.700 -0.109 0.000 2.556 90 S HA 0.154 4.617 4.470 -0.011 0.000 0.216 90 S C 0.247 174.848 174.600 0.002 0.000 0.970 90 S CA -0.388 57.789 58.200 -0.037 0.000 0.912 90 S CB -0.102 63.083 63.200 -0.025 0.000 0.790 90 S HN 0.028 nan 8.310 nan 0.000 0.504 91 T N 5.197 119.761 114.554 0.016 0.000 2.811 91 T HA 0.413 4.757 4.350 -0.011 0.000 0.309 91 T C -2.846 171.930 174.700 0.127 0.000 1.005 91 T CA -1.311 60.860 62.100 0.119 0.000 0.955 91 T CB 1.017 70.063 68.868 0.297 0.000 0.970 91 T HN 0.137 nan 8.240 nan 0.000 0.496 92 P HA 0.224 nan 4.420 nan 0.000 0.263 92 P C 1.043 178.382 177.300 0.064 0.000 1.195 92 P CA 0.823 63.959 63.100 0.060 0.000 0.762 92 P CB 0.356 32.081 31.700 0.041 0.000 0.799 93 G N 2.583 111.417 108.800 0.057 0.000 2.176 93 G HA2 -0.221 3.732 3.960 -0.011 0.000 0.253 93 G HA3 -0.221 3.732 3.960 -0.011 0.000 0.253 93 G C -0.009 174.895 174.900 0.007 0.000 0.979 93 G CA -0.571 44.540 45.100 0.019 0.000 0.641 93 G HN 0.620 nan 8.290 nan 0.000 0.530 94 W N 2.642 123.875 121.300 -0.113 0.000 2.534 94 W HA 0.251 4.901 4.660 -0.016 0.000 0.340 94 W C -1.207 175.179 176.519 -0.222 0.000 1.352 94 W CA 0.125 57.376 57.345 -0.156 0.000 1.305 94 W CB 0.574 29.978 29.460 -0.094 0.000 1.299 94 W HN 0.256 nan 8.180 nan 0.000 0.572 95 P HA 0.057 nan 4.420 nan 0.000 0.274 95 P C -1.080 175.818 177.300 -0.670 0.000 1.352 95 P CA 0.184 62.905 63.100 -0.632 0.000 0.947 95 P CB 0.172 31.465 31.700 -0.677 0.000 1.437 96 Y N 1.267 121.269 120.300 -0.497 0.000 2.353 96 Y HA 0.293 4.842 4.550 -0.002 0.000 0.340 96 Y C 1.478 177.489 175.900 0.184 0.000 0.972 96 Y CA -0.863 57.125 58.100 -0.187 0.000 1.157 96 Y CB 0.468 38.719 38.460 -0.348 0.000 1.157 96 Y HN -0.171 nan 8.280 nan 0.000 0.495 97 T N 1.316 116.004 114.554 0.223 0.000 2.860 97 T HA 0.651 4.995 4.350 -0.011 0.000 0.299 97 T C -0.171 174.601 174.700 0.119 0.000 1.045 97 T CA -0.481 61.711 62.100 0.153 0.000 1.071 97 T CB 0.803 69.719 68.868 0.081 0.000 0.985 97 T HN 0.473 nan 8.240 nan 0.000 0.537 98 I N 1.062 121.632 120.570 -0.001 0.000 2.533 98 I HA 0.616 4.780 4.170 -0.011 0.000 0.290 98 I C -0.053 175.805 176.117 -0.433 0.000 1.056 98 I CA -1.201 60.006 61.300 -0.155 0.000 1.057 98 I CB 1.891 39.806 38.000 -0.141 0.000 1.240 98 I HN 0.942 nan 8.210 nan 0.000 0.423 99 A N 5.530 128.077 122.820 -0.454 0.000 2.380 99 A HA 0.883 5.196 4.320 -0.011 0.000 0.315 99 A C -1.358 175.858 177.584 -0.613 0.000 1.101 99 A CA -0.379 51.346 52.037 -0.519 0.000 0.771 99 A CB 0.920 19.826 19.000 -0.157 0.000 1.287 99 A HN 0.492 nan 8.150 nan 0.000 0.436 100 F N 1.072 121.042 119.950 0.034 0.000 2.325 100 F HA 0.459 4.978 4.527 -0.014 0.000 0.369 100 F C 0.712 176.534 175.800 0.036 0.000 1.095 100 F CA -0.426 57.588 58.000 0.024 0.000 1.082 100 F CB 1.152 40.163 39.000 0.019 0.000 1.289 100 F HN 0.615 nan 8.300 nan 0.000 0.462 101 R N 1.732 122.322 120.500 0.149 0.000 2.248 101 R HA 0.448 4.781 4.340 -0.011 0.000 0.328 101 R C 0.851 177.232 176.300 0.135 0.000 1.067 101 R CA 0.073 56.248 56.100 0.125 0.000 0.924 101 R CB 0.606 30.963 30.300 0.096 0.000 1.013 101 R HN 0.866 nan 8.270 nan 0.000 0.454 102 G N 2.889 111.777 108.800 0.146 0.000 2.542 102 G HA2 -0.047 3.906 3.960 -0.011 0.000 0.211 102 G HA3 -0.047 3.906 3.960 -0.011 0.000 0.211 102 G C 0.659 175.658 174.900 0.165 0.000 1.702 102 G CA -0.102 45.084 45.100 0.143 0.000 0.935 102 G HN 0.444 nan 8.290 nan 0.000 0.509 103 R N 0.316 120.946 120.500 0.217 0.000 2.397 103 R HA 0.236 4.569 4.340 -0.011 0.000 0.241 103 R C 1.344 177.814 176.300 0.284 0.000 0.914 103 R CA 0.146 56.420 56.100 0.289 0.000 1.071 103 R CB 0.049 30.590 30.300 0.402 0.000 1.116 103 R HN 0.727 nan 8.270 nan 0.000 0.524 104 G N 1.296 110.220 108.800 0.207 0.000 2.221 104 G HA2 -0.292 3.662 3.960 -0.011 0.000 0.265 104 G HA3 -0.292 3.662 3.960 -0.011 0.000 0.265 104 G C 0.445 175.380 174.900 0.059 0.000 1.041 104 G CA 0.357 45.534 45.100 0.127 0.000 0.807 104 G HN 0.464 nan 8.290 nan 0.000 0.502 105 H N 0.074 119.189 119.070 0.075 0.000 2.543 105 H HA 0.176 4.725 4.556 -0.011 0.000 0.269 105 H C 1.487 176.790 175.328 -0.042 0.000 1.005 105 H CA 0.811 56.848 56.048 -0.019 0.000 1.146 105 H CB 0.329 30.041 29.762 -0.083 0.000 1.353 105 H HN 0.441 nan 8.280 nan 0.000 0.595 106 S N 0.345 116.051 115.700 0.010 0.000 2.566 106 S HA -0.004 4.459 4.470 -0.011 0.000 0.280 106 S C 1.654 176.203 174.600 -0.085 0.000 1.343 106 S CA -0.221 57.944 58.200 -0.058 0.000 1.036 106 S CB 0.850 63.965 63.200 -0.142 0.000 0.866 106 S HN 0.318 nan 8.310 nan 0.000 0.526 107 L N 1.148 122.314 121.223 -0.094 0.000 2.408 107 L HA 0.251 4.585 4.340 -0.011 0.000 0.215 107 L C 0.817 177.612 176.870 -0.124 0.000 1.081 107 L CA 0.639 55.416 54.840 -0.106 0.000 0.840 107 L CB 0.022 42.039 42.059 -0.071 0.000 1.002 107 L HN 0.486 nan 8.230 nan 0.000 0.468 108 M N 0.076 119.591 119.600 -0.141 0.000 3.402 108 M HA 0.344 4.817 4.480 -0.011 0.000 0.372 108 M C 0.688 176.875 176.300 -0.187 0.000 1.610 108 M CA 0.015 55.240 55.300 -0.124 0.000 0.650 108 M CB 0.436 32.988 32.600 -0.081 0.000 1.421 108 M HN 0.226 nan 8.290 nan 0.000 0.493 109 G N 0.959 109.488 108.800 -0.451 0.000 2.153 109 G HA2 -0.321 3.632 3.960 -0.011 0.000 0.252 109 G HA3 -0.321 3.632 3.960 -0.011 0.000 0.252 109 G C 0.699 175.232 174.900 -0.611 0.000 0.994 109 G CA 0.703 45.241 45.100 -0.936 0.000 0.698 109 G HN 0.490 nan 8.290 nan 0.000 0.521 110 Q N -0.335 119.250 119.800 -0.359 0.000 2.364 110 Q HA 0.340 4.673 4.340 -0.011 0.000 0.209 110 Q C 2.614 178.525 176.000 -0.148 0.000 0.977 110 Q CA 1.812 57.518 55.803 -0.162 0.000 0.885 110 Q CB -0.069 28.626 28.738 -0.071 0.000 0.941 110 Q HN 0.985 nan 8.270 nan 0.000 0.464 111 A N -0.745 121.912 122.820 -0.271 0.000 2.387 111 A HA 0.226 4.539 4.320 -0.011 0.000 0.234 111 A C -0.425 177.190 177.584 0.051 0.000 1.253 111 A CA -0.326 51.652 52.037 -0.098 0.000 0.894 111 A CB 0.202 19.174 19.000 -0.047 0.000 0.963 111 A HN 0.088 nan 8.150 nan 0.000 0.508 112 F N -0.424 119.525 119.950 -0.001 0.000 2.378 112 F HA 0.612 5.132 4.527 -0.011 0.000 0.325 112 F C 0.738 176.524 175.800 -0.023 0.000 1.097 112 F CA -1.673 56.321 58.000 -0.010 0.000 1.079 112 F CB 1.329 40.329 39.000 -0.001 0.000 1.240 112 F HN 0.047 nan 8.300 nan 0.000 0.519 113 A N 2.716 125.643 122.820 0.179 0.000 3.030 113 A HA 0.573 4.887 4.320 -0.011 0.000 0.335 113 A C -2.735 174.886 177.584 0.062 0.000 1.089 113 A CA -1.578 50.507 52.037 0.080 0.000 0.807 113 A CB -0.238 18.776 19.000 0.023 0.000 1.099 113 A HN 0.392 nan 8.150 nan 0.000 0.474 114 P HA 0.154 nan 4.420 nan 0.000 0.255 114 P C 1.215 178.537 177.300 0.038 0.000 1.173 114 P CA 2.223 65.344 63.100 0.036 0.000 0.780 114 P CB 0.399 32.130 31.700 0.053 0.000 0.758 115 G N 2.610 111.424 108.800 0.023 0.000 2.187 115 G HA2 -0.188 3.766 3.960 -0.011 0.000 0.261 115 G HA3 -0.188 3.766 3.960 -0.011 0.000 0.261 115 G C 0.614 175.578 174.900 0.107 0.000 1.000 115 G CA 0.121 45.250 45.100 0.049 0.000 0.718 115 G HN 0.818 nan 8.290 nan 0.000 0.519 116 G N -1.877 106.969 108.800 0.077 0.000 3.175 116 G HA2 0.699 4.652 3.960 -0.011 0.000 0.153 116 G HA3 0.699 4.652 3.960 -0.011 0.000 0.153 116 G C -0.683 174.212 174.900 -0.009 0.000 1.216 116 G CA 0.093 45.257 45.100 0.108 0.000 0.943 116 G HN 0.917 nan 8.290 nan 0.000 0.611 117 V N 0.480 120.397 119.914 0.005 0.000 2.444 117 V HA 0.467 4.580 4.120 -0.011 0.000 0.294 117 V C -0.439 175.628 176.094 -0.045 0.000 1.022 117 V CA -0.596 61.681 62.300 -0.038 0.000 0.850 117 V CB 1.391 33.208 31.823 -0.010 0.000 0.992 117 V HN 0.387 nan 8.190 nan 0.000 0.426 118 V N 5.817 125.699 119.914 -0.053 0.000 2.407 118 V HA 0.360 4.474 4.120 -0.011 0.000 0.278 118 V C 0.069 176.115 176.094 -0.080 0.000 1.037 118 V CA -0.516 61.748 62.300 -0.061 0.000 0.900 118 V CB 1.911 33.721 31.823 -0.023 0.000 0.983 118 V HN 0.620 nan 8.190 nan 0.000 0.459 119 V N 5.223 125.107 119.914 -0.050 0.000 2.406 119 V HA 0.216 4.329 4.120 -0.011 0.000 0.272 119 V C 0.765 176.842 176.094 -0.028 0.000 1.043 119 V CA -0.496 61.802 62.300 -0.004 0.000 0.915 119 V CB 1.252 33.185 31.823 0.184 0.000 0.988 119 V HN 0.891 nan 8.190 nan 0.000 0.466 120 N N 5.957 124.553 118.700 -0.173 0.000 2.605 120 N HA 0.053 4.787 4.740 -0.011 0.000 0.258 120 N C 1.196 176.693 175.510 -0.021 0.000 1.156 120 N CA -0.476 52.479 53.050 -0.159 0.000 1.008 120 N CB 0.653 38.860 38.487 -0.466 0.000 1.354 120 N HN 0.566 nan 8.380 nan 0.000 0.509 121 M N 1.693 121.322 119.600 0.047 0.000 2.144 121 M HA -0.193 4.280 4.480 -0.011 0.000 0.260 121 M C 2.110 178.442 176.300 0.054 0.000 1.067 121 M CA 1.068 56.405 55.300 0.061 0.000 1.095 121 M CB -1.473 31.172 32.600 0.075 0.000 1.365 121 M HN 0.562 nan 8.290 nan 0.000 0.406 122 A N -0.271 122.590 122.820 0.069 0.000 2.032 122 A HA -0.153 4.160 4.320 -0.011 0.000 0.221 122 A C 2.429 180.063 177.584 0.082 0.000 1.165 122 A CA 2.087 54.169 52.037 0.074 0.000 0.645 122 A CB -0.826 18.233 19.000 0.099 0.000 0.807 122 A HN 0.529 nan 8.150 nan 0.000 0.453 123 S N -0.162 115.604 115.700 0.109 0.000 2.419 123 S HA -0.107 4.356 4.470 -0.011 0.000 0.235 123 S C 1.592 176.241 174.600 0.083 0.000 1.019 123 S CA 1.299 59.578 58.200 0.131 0.000 0.982 123 S CB -0.445 62.875 63.200 0.200 0.000 0.789 123 S HN 0.580 nan 8.310 nan 0.000 0.490 124 L N 0.557 121.813 121.223 0.056 0.000 2.353 124 L HA -0.041 4.292 4.340 -0.011 0.000 0.220 124 L C 2.112 178.994 176.870 0.021 0.000 1.133 124 L CA 0.915 55.774 54.840 0.032 0.000 0.798 124 L CB -0.474 41.592 42.059 0.011 0.000 0.922 124 L HN 0.392 nan 8.230 nan 0.000 0.445 125 G N -1.989 106.826 108.800 0.024 0.000 3.502 125 G HA2 -0.022 3.931 3.960 -0.011 0.000 0.267 125 G HA3 -0.022 3.931 3.960 -0.011 0.000 0.267 125 G C 0.668 175.581 174.900 0.022 0.000 1.090 125 G CA -0.251 44.857 45.100 0.013 0.000 0.795 125 G HN 0.132 nan 8.290 nan 0.000 0.535 126 D N 1.516 121.937 120.400 0.036 0.000 2.144 126 D HA 0.021 4.654 4.640 -0.011 0.000 0.200 126 D C 1.865 178.180 176.300 0.024 0.000 0.978 126 D CA 0.688 54.710 54.000 0.037 0.000 0.833 126 D CB 0.115 40.943 40.800 0.048 0.000 0.961 126 D HN 0.332 nan 8.370 nan 0.000 0.470 127 A N 0.299 123.131 122.820 0.020 0.000 2.425 127 A HA 0.457 4.771 4.320 -0.011 0.000 0.249 127 A C 1.264 178.853 177.584 0.008 0.000 1.084 127 A CA 0.398 52.443 52.037 0.014 0.000 0.781 127 A CB 0.800 19.808 19.000 0.013 0.000 1.019 127 A HN 0.135 nan 8.150 nan 0.000 0.490 128 A N 1.629 124.453 122.820 0.006 0.000 2.067 128 A HA 0.500 4.813 4.320 -0.011 0.000 0.217 128 A C 1.091 178.675 177.584 -0.000 0.000 1.156 128 A CA 1.408 53.447 52.037 0.003 0.000 0.683 128 A CB -0.235 18.767 19.000 0.003 0.000 0.808 128 A HN 2.112 nan 8.150 nan 0.000 0.455 129 A N 0.304 123.125 122.820 0.001 0.000 2.520 129 A HA 0.634 4.948 4.320 -0.011 0.000 0.298 129 A C -2.864 174.721 177.584 0.001 0.000 1.051 129 A CA -1.244 50.793 52.037 -0.000 0.000 0.690 129 A CB 0.705 19.705 19.000 0.000 0.000 1.281 129 A HN 0.158 nan 8.150 nan 0.000 0.402 130 P HA 0.437 nan 4.420 nan 0.000 0.274 130 P C -2.649 174.647 177.300 -0.007 0.000 1.231 130 P CA -0.924 62.174 63.100 -0.004 0.000 0.790 130 P CB 0.021 31.719 31.700 -0.004 0.000 0.951 131 P HA 0.057 nan 4.420 nan 0.000 0.266 131 P C 0.368 177.657 177.300 -0.018 0.000 1.193 131 P CA -0.046 63.046 63.100 -0.013 0.000 0.770 131 P CB 0.781 32.474 31.700 -0.013 0.000 0.836 132 R N 1.326 121.810 120.500 -0.026 0.000 2.334 132 R HA 0.358 4.691 4.340 -0.011 0.000 0.216 132 R C 0.315 176.585 176.300 -0.050 0.000 0.905 132 R CA -0.030 56.047 56.100 -0.037 0.000 1.064 132 R CB -0.084 30.191 30.300 -0.042 0.000 1.046 132 R HN 0.539 nan 8.270 nan 0.000 0.508 133 I N 1.799 122.345 120.570 -0.040 0.000 2.534 133 I HA 0.233 4.397 4.170 -0.011 0.000 0.286 133 I C -1.027 175.077 176.117 -0.021 0.000 1.094 133 I CA -0.655 60.620 61.300 -0.042 0.000 1.055 133 I CB 1.955 39.923 38.000 -0.053 0.000 1.225 133 I HN -0.183 nan 8.210 nan 0.000 0.435 134 N N 6.066 124.763 118.700 -0.005 0.000 2.448 134 N HA 0.343 5.076 4.740 -0.011 0.000 0.279 134 N C -0.638 174.879 175.510 0.011 0.000 1.025 134 N CA -0.451 52.601 53.050 0.004 0.000 0.898 134 N CB 2.925 41.421 38.487 0.015 0.000 1.303 134 N HN 0.148 nan 8.380 nan 0.000 0.495 135 V N 1.651 121.554 119.914 -0.017 0.000 2.614 135 V HA 0.070 4.183 4.120 -0.011 0.000 0.291 135 V C 1.182 177.203 176.094 -0.122 0.000 1.049 135 V CA -0.478 61.791 62.300 -0.051 0.000 1.038 135 V CB 0.904 32.698 31.823 -0.048 0.000 0.980 135 V HN 0.804 nan 8.190 nan 0.000 0.481 136 S N 4.607 120.130 115.700 -0.294 0.000 2.558 136 S HA 0.177 4.641 4.470 -0.011 0.000 0.287 136 S C 1.413 175.837 174.600 -0.293 0.000 1.321 136 S CA 0.088 57.983 58.200 -0.507 0.000 1.048 136 S CB 1.052 63.407 63.200 -1.407 0.000 0.844 136 S HN 1.147 nan 8.310 nan 0.000 0.512 137 A N 2.337 125.033 122.820 -0.206 0.000 1.940 137 A HA -0.122 4.192 4.320 -0.011 0.000 0.219 137 A C 1.678 179.183 177.584 -0.132 0.000 1.176 137 A CA 1.722 53.684 52.037 -0.124 0.000 0.631 137 A CB -1.015 17.939 19.000 -0.076 0.000 0.814 137 A HN 1.022 nan 8.150 nan 0.000 0.446 138 D N -2.134 118.159 120.400 -0.178 0.000 2.340 138 D HA 0.281 4.915 4.640 -0.011 0.000 0.220 138 D C 1.115 177.323 176.300 -0.153 0.000 1.039 138 D CA 0.699 54.616 54.000 -0.138 0.000 0.866 138 D CB -0.821 39.913 40.800 -0.110 0.000 0.913 138 D HN 0.740 nan 8.370 nan 0.000 0.523 139 G N 1.008 109.683 108.800 -0.207 0.000 2.225 139 G HA2 -0.359 3.595 3.960 -0.011 0.000 0.267 139 G HA3 -0.359 3.595 3.960 -0.011 0.000 0.267 139 G C 1.092 175.900 174.900 -0.152 0.000 1.024 139 G CA 0.338 45.338 45.100 -0.166 0.000 0.784 139 G HN 0.356 nan 8.290 nan 0.000 0.507 140 R N -1.268 119.095 120.500 -0.227 0.000 2.290 140 R HA 0.258 4.592 4.340 -0.011 0.000 0.197 140 R C 0.777 177.087 176.300 0.016 0.000 0.913 140 R CA 1.390 57.437 56.100 -0.088 0.000 1.040 140 R CB 0.131 30.421 30.300 -0.018 0.000 0.992 140 R HN 0.903 nan 8.270 nan 0.000 0.500 141 Y N -4.292 115.997 120.300 -0.018 0.000 2.713 141 Y HA 0.599 5.142 4.550 -0.011 0.000 0.335 141 Y C -1.406 174.481 175.900 -0.021 0.000 1.222 141 Y CA -1.684 56.403 58.100 -0.022 0.000 1.061 141 Y CB 1.042 39.489 38.460 -0.022 0.000 1.314 141 Y HN -0.291 nan 8.280 nan 0.000 0.453 142 V N 2.022 122.108 119.914 0.286 0.000 2.577 142 V HA 0.485 4.599 4.120 -0.011 0.000 0.303 142 V C -1.508 174.679 176.094 0.155 0.000 1.042 142 V CA -0.489 61.910 62.300 0.166 0.000 0.872 142 V CB 1.628 33.487 31.823 0.059 0.000 0.998 142 V HN 0.858 nan 8.190 nan 0.000 0.423 143 D N 5.425 125.907 120.400 0.137 0.000 2.249 143 D HA 0.699 5.332 4.640 -0.011 0.000 0.246 143 D C -0.116 176.169 176.300 -0.025 0.000 1.114 143 D CA 0.339 54.367 54.000 0.046 0.000 0.854 143 D CB 1.924 42.760 40.800 0.060 0.000 1.132 143 D HN 0.877 nan 8.370 nan 0.000 0.461 144 A N 1.737 124.508 122.820 -0.082 0.000 2.422 144 A HA 0.682 4.995 4.320 -0.011 0.000 0.302 144 A C 0.364 177.864 177.584 -0.139 0.000 1.041 144 A CA -0.743 51.213 52.037 -0.136 0.000 0.708 144 A CB 1.539 20.394 19.000 -0.241 0.000 1.257 144 A HN 0.463 nan 8.150 nan 0.000 0.414 145 G N 0.340 109.067 108.800 -0.122 0.000 2.491 145 G HA2 0.404 4.357 3.960 -0.011 0.000 0.238 145 G HA3 0.404 4.357 3.960 -0.011 0.000 0.238 145 G C 1.090 175.908 174.900 -0.137 0.000 1.277 145 G CA 0.216 45.252 45.100 -0.106 0.000 0.851 145 G HN 1.455 nan 8.290 nan 0.000 0.573 146 G N 0.580 109.310 108.800 -0.116 0.000 2.479 146 G HA2 -0.170 3.783 3.960 -0.011 0.000 0.220 146 G HA3 -0.170 3.783 3.960 -0.011 0.000 0.220 146 G C 1.417 176.258 174.900 -0.099 0.000 1.115 146 G CA 1.207 46.238 45.100 -0.116 0.000 0.757 146 G HN 0.706 nan 8.290 nan 0.000 0.560 147 E N 0.327 120.479 120.200 -0.080 0.000 2.385 147 E HA 0.000 4.344 4.350 -0.011 0.000 0.194 147 E C 0.587 177.144 176.600 -0.072 0.000 1.013 147 E CA 0.007 56.380 56.400 -0.045 0.000 0.866 147 E CB -0.319 29.372 29.700 -0.015 0.000 0.832 147 E HN 0.245 nan 8.360 nan 0.000 0.500 148 Q N 1.724 121.446 119.800 -0.130 0.000 2.349 148 Q HA 0.117 4.450 4.340 -0.011 0.000 0.287 148 Q C 0.378 176.241 176.000 -0.229 0.000 1.044 148 Q CA 0.094 55.797 55.803 -0.167 0.000 0.918 148 Q CB 1.432 30.047 28.738 -0.205 0.000 1.242 148 Q HN 0.198 nan 8.270 nan 0.000 0.405 149 V N -0.702 119.103 119.914 -0.182 0.000 2.686 149 V HA 0.194 4.307 4.120 -0.011 0.000 0.295 149 V C 0.721 176.690 176.094 -0.208 0.000 1.057 149 V CA -0.760 61.435 62.300 -0.174 0.000 1.012 149 V CB 0.679 32.406 31.823 -0.159 0.000 1.006 149 V HN 0.876 nan 8.190 nan 0.000 0.477 150 W N 1.869 123.110 121.300 -0.098 0.000 2.350 150 W HA -0.098 4.556 4.660 -0.010 0.000 0.289 150 W C 2.045 178.511 176.519 -0.088 0.000 1.215 150 W CA 1.364 58.701 57.345 -0.015 0.000 1.236 150 W CB -0.297 29.225 29.460 0.104 0.000 1.130 150 W HN 0.664 nan 8.180 nan 0.000 0.541 151 I N 0.668 121.156 120.570 -0.137 0.000 2.286 151 I HA -0.281 3.883 4.170 -0.011 0.000 0.248 151 I C 1.720 177.719 176.117 -0.198 0.000 1.115 151 I CA 1.935 63.046 61.300 -0.315 0.000 1.392 151 I CB -0.530 36.991 38.000 -0.798 0.000 1.065 151 I HN -0.135 nan 8.210 nan 0.000 0.418 152 D N -0.306 119.983 120.400 -0.185 0.000 2.194 152 D HA -0.065 4.568 4.640 -0.011 0.000 0.204 152 D C 2.417 178.680 176.300 -0.061 0.000 0.964 152 D CA 1.152 55.078 54.000 -0.122 0.000 0.846 152 D CB -0.148 40.576 40.800 -0.126 0.000 0.962 152 D HN 0.282 nan 8.370 nan 0.000 0.490 153 V N 1.413 121.301 119.914 -0.043 0.000 2.343 153 V HA -0.215 3.898 4.120 -0.011 0.000 0.247 153 V C 2.486 178.657 176.094 0.129 0.000 1.051 153 V CA 1.031 63.334 62.300 0.004 0.000 1.036 153 V CB -0.418 31.375 31.823 -0.049 0.000 0.654 153 V HN 0.132 nan 8.190 nan 0.000 0.451 154 L N 0.339 121.686 121.223 0.206 0.000 2.017 154 L HA -0.162 4.172 4.340 -0.011 0.000 0.208 154 L C 2.592 179.508 176.870 0.076 0.000 1.073 154 L CA 1.962 56.929 54.840 0.213 0.000 0.745 154 L CB -0.645 41.430 42.059 0.026 0.000 0.894 154 L HN 0.170 nan 8.230 nan 0.000 0.432 155 R N -0.482 120.019 120.500 0.002 0.000 2.081 155 R HA -0.113 4.221 4.340 -0.011 0.000 0.235 155 R C 2.276 178.580 176.300 0.006 0.000 1.131 155 R CA 1.388 57.480 56.100 -0.014 0.000 0.960 155 R CB -0.749 29.524 30.300 -0.044 0.000 0.856 155 R HN 0.547 nan 8.270 nan 0.000 0.436 156 A N 0.387 123.211 122.820 0.006 0.000 1.933 156 A HA -0.134 4.179 4.320 -0.011 0.000 0.218 156 A C 2.176 179.773 177.584 0.022 0.000 1.175 156 A CA 1.674 53.714 52.037 0.004 0.000 0.628 156 A CB -0.343 18.652 19.000 -0.008 0.000 0.814 156 A HN 0.227 nan 8.150 nan 0.000 0.444 157 S N -0.095 115.637 115.700 0.052 0.000 2.357 157 S HA -0.035 4.428 4.470 -0.011 0.000 0.221 157 S C 1.806 176.446 174.600 0.066 0.000 1.031 157 S CA 1.266 59.508 58.200 0.069 0.000 0.982 157 S CB -0.445 62.832 63.200 0.129 0.000 0.853 157 S HN 0.518 nan 8.310 nan 0.000 0.458 158 L N 1.333 122.603 121.223 0.078 0.000 2.127 158 L HA -0.148 4.186 4.340 -0.011 0.000 0.211 158 L C 2.665 179.555 176.870 0.035 0.000 1.089 158 L CA 1.093 55.973 54.840 0.067 0.000 0.757 158 L CB -0.718 41.378 42.059 0.061 0.000 0.899 158 L HN 0.325 nan 8.230 nan 0.000 0.434 159 A N -0.646 122.187 122.820 0.022 0.000 2.125 159 A HA -0.130 4.184 4.320 -0.011 0.000 0.219 159 A C 2.067 179.654 177.584 0.005 0.000 1.156 159 A CA 1.206 53.248 52.037 0.009 0.000 0.671 159 A CB -0.229 18.773 19.000 0.002 0.000 0.794 159 A HN 0.253 nan 8.150 nan 0.000 0.459 160 R N -1.516 118.989 120.500 0.007 0.000 2.509 160 R HA 0.211 4.544 4.340 -0.011 0.000 0.300 160 R C 1.042 177.342 176.300 0.000 0.000 0.985 160 R CA 0.546 56.644 56.100 -0.003 0.000 1.092 160 R CB -0.331 29.961 30.300 -0.014 0.000 1.237 160 R HN 0.724 nan 8.270 nan 0.000 0.546 161 G N 1.208 110.016 108.800 0.013 0.000 2.160 161 G HA2 -0.292 3.661 3.960 -0.011 0.000 0.251 161 G HA3 -0.292 3.661 3.960 -0.011 0.000 0.251 161 G C 0.246 175.159 174.900 0.022 0.000 1.008 161 G CA 0.703 45.812 45.100 0.014 0.000 0.724 161 G HN 0.307 nan 8.290 nan 0.000 0.514 162 V N -4.359 115.579 119.914 0.040 0.000 3.156 162 V HA 1.083 5.196 4.120 -0.011 0.000 0.311 162 V C 0.020 176.186 176.094 0.119 0.000 1.208 162 V CA -0.543 61.788 62.300 0.052 0.000 1.063 162 V CB 1.863 33.698 31.823 0.020 0.000 1.098 162 V HN 2.135 nan 8.190 nan 0.000 0.452 163 A N 0.657 123.564 122.820 0.144 0.000 2.590 163 A HA 0.858 5.172 4.320 -0.011 0.000 0.296 163 A C -3.373 174.308 177.584 0.162 0.000 1.050 163 A CA -1.189 51.008 52.037 0.267 0.000 0.697 163 A CB 1.144 20.440 19.000 0.494 0.000 1.277 163 A HN 0.720 nan 8.150 nan 0.000 0.411 164 P HA 0.164 nan 4.420 nan 0.000 0.267 164 P C 0.444 177.497 177.300 -0.413 0.000 1.201 164 P CA 0.138 63.029 63.100 -0.349 0.000 0.775 164 P CB 0.466 31.675 31.700 -0.820 0.000 0.854 165 R N -0.059 120.152 120.500 -0.482 0.000 2.189 165 R HA 0.150 4.483 4.340 -0.011 0.000 0.203 165 R C 0.673 176.650 176.300 -0.538 0.000 1.012 165 R CA 0.597 56.382 56.100 -0.524 0.000 1.015 165 R CB 0.133 29.947 30.300 -0.810 0.000 0.938 165 R HN 0.350 nan 8.270 nan 0.000 0.472 166 S N -0.010 115.295 115.700 -0.658 0.000 2.519 166 S HA 0.431 4.894 4.470 -0.011 0.000 0.309 166 S C -1.473 172.678 174.600 -0.748 0.000 1.100 166 S CA -0.847 57.064 58.200 -0.481 0.000 1.059 166 S CB 0.630 63.630 63.200 -0.334 0.000 1.008 166 S HN 0.189 nan 8.310 nan 0.000 0.478 167 W N 1.353 122.534 121.300 -0.198 0.000 3.307 167 W HA 0.627 5.279 4.660 -0.012 0.000 0.325 167 W C 0.192 176.566 176.519 -0.242 0.000 1.255 167 W CA -0.706 56.452 57.345 -0.312 0.000 1.006 167 W CB 0.595 29.942 29.460 -0.189 0.000 1.608 167 W HN 0.624 nan 8.180 nan 0.000 0.620 168 T N -2.460 112.139 114.554 0.075 0.000 2.924 168 T HA 0.254 4.597 4.350 -0.011 0.000 0.291 168 T C 0.102 174.874 174.700 0.120 0.000 1.045 168 T CA -0.658 61.492 62.100 0.082 0.000 1.015 168 T CB 1.757 70.641 68.868 0.026 0.000 1.103 168 T HN 0.289 nan 8.240 nan 0.000 0.496 169 D N -0.437 120.059 120.400 0.161 0.000 2.178 169 D HA -0.036 4.598 4.640 -0.011 0.000 0.201 169 D C -0.056 176.320 176.300 0.127 0.000 0.980 169 D CA 1.587 55.661 54.000 0.125 0.000 0.842 169 D CB -0.107 40.791 40.800 0.165 0.000 0.948 169 D HN 0.593 nan 8.370 nan 0.000 0.472 170 Y N 0.412 120.728 120.300 0.026 0.000 2.364 170 Y HA 0.294 4.837 4.550 -0.012 0.000 0.340 170 Y C 0.553 176.483 175.900 0.050 0.000 0.975 170 Y CA -0.737 57.390 58.100 0.045 0.000 1.089 170 Y CB 1.053 39.556 38.460 0.072 0.000 1.192 170 Y HN -0.284 nan 8.280 nan 0.000 0.454 171 L N 5.432 126.488 121.223 -0.278 0.000 2.558 171 L HA 0.054 4.388 4.340 -0.011 0.000 0.225 171 L C -0.137 176.519 176.870 -0.357 0.000 1.128 171 L CA 0.224 54.923 54.840 -0.236 0.000 0.868 171 L CB -0.129 41.759 42.059 -0.284 0.000 1.006 171 L HN 0.638 nan 8.230 nan 0.000 0.454 172 Y N 1.848 121.667 120.300 -0.801 0.000 2.903 172 Y HA 0.401 4.944 4.550 -0.012 0.000 0.387 172 Y C 0.059 175.884 175.900 -0.125 0.000 1.189 172 Y CA -0.068 57.763 58.100 -0.448 0.000 1.856 172 Y CB -0.408 37.764 38.460 -0.478 0.000 1.917 172 Y HN 0.012 nan 8.280 nan 0.000 0.448 173 L N -0.170 121.118 121.223 0.109 0.000 2.371 173 L HA 0.575 4.908 4.340 -0.011 0.000 0.262 173 L C 0.278 177.313 176.870 0.275 0.000 1.006 173 L CA -1.240 53.741 54.840 0.235 0.000 0.818 173 L CB 2.363 44.593 42.059 0.284 0.000 1.354 173 L HN 0.132 nan 8.230 nan 0.000 0.415 174 T N -2.061 112.618 114.554 0.208 0.000 2.899 174 T HA 0.312 4.655 4.350 -0.011 0.000 0.284 174 T C 1.102 175.838 174.700 0.060 0.000 1.004 174 T CA -0.747 61.389 62.100 0.061 0.000 1.043 174 T CB 1.691 70.590 68.868 0.051 0.000 1.013 174 T HN 0.240 nan 8.240 nan 0.000 0.518 175 V N 2.498 122.244 119.914 -0.281 0.000 2.295 175 V HA -0.026 4.088 4.120 -0.011 0.000 0.246 175 V C 2.889 179.007 176.094 0.040 0.000 1.049 175 V CA 2.459 64.569 62.300 -0.315 0.000 1.024 175 V CB -1.453 30.023 31.823 -0.578 0.000 0.648 175 V HN 1.126 nan 8.190 nan 0.000 0.447 176 G N -0.406 108.390 108.800 -0.006 0.000 2.432 176 G HA2 -0.115 3.838 3.960 -0.011 0.000 0.219 176 G HA3 -0.115 3.838 3.960 -0.011 0.000 0.219 176 G C 1.566 176.538 174.900 0.119 0.000 1.135 176 G CA 0.927 46.050 45.100 0.038 0.000 0.767 176 G HN 0.592 nan 8.290 nan 0.000 0.550 177 G N 0.701 109.594 108.800 0.155 0.000 2.414 177 G HA2 -0.156 3.797 3.960 -0.011 0.000 0.215 177 G HA3 -0.156 3.797 3.960 -0.011 0.000 0.215 177 G C 2.026 177.067 174.900 0.235 0.000 1.188 177 G CA 2.167 47.383 45.100 0.192 0.000 0.783 177 G HN 0.547 nan 8.290 nan 0.000 0.537 178 T N -0.196 114.547 114.554 0.315 0.000 2.867 178 T HA 0.065 4.408 4.350 -0.011 0.000 0.268 178 T C 2.410 177.281 174.700 0.285 0.000 1.057 178 T CA 0.895 63.187 62.100 0.319 0.000 1.136 178 T CB -0.278 68.806 68.868 0.360 0.000 0.874 178 T HN 0.162 nan 8.240 nan 0.000 0.466 179 L N 0.961 122.345 121.223 0.268 0.000 2.291 179 L HA 0.043 4.377 4.340 -0.011 0.000 0.214 179 L C 2.776 179.755 176.870 0.182 0.000 1.120 179 L CA 0.825 55.781 54.840 0.192 0.000 0.799 179 L CB -0.465 41.677 42.059 0.139 0.000 0.925 179 L HN 0.306 nan 8.230 nan 0.000 0.446 180 S N -0.557 115.263 115.700 0.200 0.000 2.522 180 S HA -0.002 4.461 4.470 -0.011 0.000 0.227 180 S C 1.435 176.205 174.600 0.283 0.000 0.986 180 S CA 0.447 58.778 58.200 0.218 0.000 0.929 180 S CB -0.037 63.279 63.200 0.194 0.000 0.769 180 S HN 0.466 nan 8.310 nan 0.000 0.529 181 N N 0.202 119.089 118.700 0.311 0.000 2.765 181 N HA 0.356 5.090 4.740 -0.011 0.000 0.230 181 N C 1.124 176.978 175.510 0.574 0.000 1.022 181 N CA 1.088 54.389 53.050 0.418 0.000 1.106 181 N CB 0.428 39.103 38.487 0.314 0.000 1.527 181 N HN 0.336 nan 8.380 nan 0.000 0.507 182 A N -0.774 122.347 122.820 0.501 0.000 3.381 182 A HA 0.386 4.700 4.320 -0.011 0.000 0.198 182 A C 0.182 177.890 177.584 0.206 0.000 1.370 182 A CA 0.788 53.046 52.037 0.368 0.000 1.349 182 A CB -0.470 18.825 19.000 0.492 0.000 1.095 182 A HN 0.548 nan 8.150 nan 0.000 0.475 183 G N 0.669 109.662 108.800 0.321 0.000 2.846 183 G HA2 0.218 4.172 3.960 -0.011 0.000 0.254 183 G HA3 0.218 4.172 3.960 -0.011 0.000 0.254 183 G C -0.283 174.667 174.900 0.083 0.000 1.017 183 G CA 0.294 45.491 45.100 0.162 0.000 1.188 183 G HN 1.992 nan 8.290 nan 0.000 0.518 184 I N -1.513 119.179 120.570 0.203 0.000 2.846 184 I HA 0.991 5.154 4.170 -0.011 0.000 0.307 184 I C 0.008 176.276 176.117 0.252 0.000 1.053 184 I CA -0.864 60.560 61.300 0.206 0.000 1.050 184 I CB 2.431 40.625 38.000 0.324 0.000 1.239 184 I HN 0.621 nan 8.210 nan 0.000 0.439 185 S N 1.651 117.495 115.700 0.240 0.000 2.714 185 S HA 0.493 4.957 4.470 -0.011 0.000 0.280 185 S C 0.612 175.200 174.600 -0.019 0.000 1.200 185 S CA -0.000 58.318 58.200 0.198 0.000 0.900 185 S CB 0.678 64.017 63.200 0.233 0.000 1.235 185 S HN 1.083 nan 8.310 nan 0.000 0.512 186 G N 0.222 108.841 108.800 -0.301 0.000 2.625 186 G HA2 -0.022 3.932 3.960 -0.011 0.000 0.214 186 G HA3 -0.022 3.932 3.960 -0.011 0.000 0.214 186 G C 0.677 175.523 174.900 -0.090 0.000 1.132 186 G CA 0.819 45.461 45.100 -0.762 0.000 0.782 186 G HN 0.547 nan 8.290 nan 0.000 0.538 187 Q N -0.031 119.834 119.800 0.108 0.000 2.396 187 Q HA 0.434 4.767 4.340 -0.011 0.000 0.209 187 Q C 2.541 178.446 176.000 -0.159 0.000 0.906 187 Q CA 0.623 56.462 55.803 0.059 0.000 0.927 187 Q CB 0.064 28.929 28.738 0.213 0.000 1.069 187 Q HN 0.324 nan 8.270 nan 0.000 0.523 188 A N 0.853 123.644 122.820 -0.050 0.000 2.024 188 A HA -0.185 4.128 4.320 -0.011 0.000 0.220 188 A C 1.791 179.261 177.584 -0.190 0.000 1.164 188 A CA 1.343 53.316 52.037 -0.107 0.000 0.643 188 A CB -0.959 18.056 19.000 0.025 0.000 0.806 188 A HN 0.595 nan 8.150 nan 0.000 0.451 189 F N 1.138 120.951 119.950 -0.228 0.000 2.216 189 F HA -0.133 4.387 4.527 -0.011 0.000 0.300 189 F C 2.014 177.385 175.800 -0.715 0.000 1.085 189 F CA 1.365 59.152 58.000 -0.354 0.000 1.326 189 F CB -0.313 38.491 39.000 -0.326 0.000 1.027 189 F HN 0.315 nan 8.300 nan 0.000 0.497 190 R N -1.259 118.155 120.500 -1.811 0.000 2.250 190 R HA 0.155 4.488 4.340 -0.011 0.000 0.194 190 R C 1.172 176.817 176.300 -1.091 0.000 0.927 190 R CA 0.541 55.431 56.100 -2.017 0.000 1.052 190 R CB -0.695 28.353 30.300 -2.086 0.000 1.055 190 R HN 0.322 nan 8.270 nan 0.000 0.537 191 H N 0.571 119.286 119.070 -0.592 0.000 2.705 191 H HA 0.298 4.847 4.556 -0.011 0.000 0.269 191 H C 0.678 175.823 175.328 -0.304 0.000 0.998 191 H CA 0.784 56.630 56.048 -0.338 0.000 1.193 191 H CB 1.128 30.720 29.762 -0.284 0.000 1.485 191 H HN 0.465 nan 8.280 nan 0.000 0.521 192 G N 2.215 110.852 108.800 -0.271 0.000 2.781 192 G HA2 -0.197 3.757 3.960 -0.011 0.000 0.683 192 G HA3 -0.197 3.757 3.960 -0.011 0.000 0.683 192 G C -2.615 172.023 174.900 -0.437 0.000 1.390 192 G CA -0.550 44.316 45.100 -0.390 0.000 0.850 192 G HN 0.069 nan 8.290 nan 0.000 0.557 193 P HA 0.092 nan 4.420 nan 0.000 0.274 193 P C 0.755 177.839 177.300 -0.361 0.000 1.264 193 P CA 0.167 62.930 63.100 -0.562 0.000 0.795 193 P CB 0.407 31.523 31.700 -0.973 0.000 1.064 194 Q N -0.168 119.482 119.800 -0.250 0.000 2.226 194 Q HA -0.113 4.221 4.340 -0.011 0.000 0.204 194 Q C 1.939 177.869 176.000 -0.116 0.000 0.975 194 Q CA 1.397 57.085 55.803 -0.192 0.000 0.866 194 Q CB -0.642 27.990 28.738 -0.177 0.000 0.915 194 Q HN 0.545 nan 8.270 nan 0.000 0.440 195 I N -2.663 117.831 120.570 -0.127 0.000 2.916 195 I HA -0.079 4.084 4.170 -0.011 0.000 0.267 195 I C 1.396 177.443 176.117 -0.116 0.000 1.263 195 I CA 0.854 62.095 61.300 -0.098 0.000 1.471 195 I CB -0.036 37.929 38.000 -0.059 0.000 1.089 195 I HN -0.129 nan 8.210 nan 0.000 0.468 196 S N 1.074 116.673 115.700 -0.168 0.000 2.575 196 S HA 0.177 4.640 4.470 -0.011 0.000 0.215 196 S C 0.795 175.355 174.600 -0.066 0.000 0.966 196 S CA -0.079 58.050 58.200 -0.119 0.000 0.911 196 S CB -0.301 62.777 63.200 -0.203 0.000 0.780 196 S HN 0.535 nan 8.310 nan 0.000 0.514 197 N N 1.496 120.154 118.700 -0.069 0.000 2.480 197 N HA 0.213 4.946 4.740 -0.011 0.000 0.281 197 N C -1.171 174.342 175.510 0.004 0.000 1.381 197 N CA 0.146 53.166 53.050 -0.050 0.000 0.903 197 N CB 1.589 40.002 38.487 -0.123 0.000 1.274 197 N HN 0.058 nan 8.380 nan 0.000 0.505 198 V N 1.685 121.634 119.914 0.059 0.000 2.487 198 V HA 0.267 4.380 4.120 -0.011 0.000 0.298 198 V C 0.996 177.213 176.094 0.205 0.000 1.028 198 V CA -0.484 61.882 62.300 0.110 0.000 0.860 198 V CB 2.215 34.091 31.823 0.088 0.000 0.991 198 V HN 0.056 nan 8.190 nan 0.000 0.427 199 L N 3.273 124.543 121.223 0.078 0.000 2.127 199 L HA 0.236 4.570 4.340 -0.011 0.000 0.203 199 L C 0.991 177.816 176.870 -0.075 0.000 1.080 199 L CA 1.269 56.094 54.840 -0.025 0.000 0.768 199 L CB -0.215 41.755 42.059 -0.148 0.000 0.924 199 L HN 0.930 nan 8.230 nan 0.000 0.444 200 E N -2.208 118.001 120.200 0.016 0.000 2.429 200 E HA 0.628 4.971 4.350 -0.011 0.000 0.280 200 E C -1.203 175.461 176.600 0.107 0.000 1.068 200 E CA -0.770 55.644 56.400 0.024 0.000 0.837 200 E CB 1.620 31.238 29.700 -0.137 0.000 1.357 200 E HN -0.106 nan 8.360 nan 0.000 0.455 201 M N 0.582 120.246 119.600 0.107 0.000 2.578 201 M HA 0.386 4.860 4.480 -0.011 0.000 0.276 201 M C -1.924 174.375 176.300 -0.002 0.000 1.245 201 M CA -0.968 54.359 55.300 0.045 0.000 0.871 201 M CB 2.590 35.224 32.600 0.057 0.000 1.722 201 M HN 0.435 nan 8.290 nan 0.000 0.473 202 D N 1.645 122.023 120.400 -0.036 0.000 2.256 202 D HA 0.637 5.270 4.640 -0.011 0.000 0.240 202 D C -1.243 175.015 176.300 -0.071 0.000 1.062 202 D CA -0.089 53.880 54.000 -0.052 0.000 0.832 202 D CB 2.215 42.981 40.800 -0.055 0.000 1.135 202 D HN 0.190 nan 8.370 nan 0.000 0.484 203 V N 3.172 123.038 119.914 -0.080 0.000 2.709 203 V HA 0.425 4.539 4.120 -0.011 0.000 0.308 203 V C -0.008 176.025 176.094 -0.102 0.000 1.062 203 V CA -0.791 61.442 62.300 -0.111 0.000 0.901 203 V CB 2.211 33.957 31.823 -0.127 0.000 1.003 203 V HN 0.394 nan 8.190 nan 0.000 0.425 204 I N 4.175 124.674 120.570 -0.118 0.000 2.307 204 I HA 0.332 4.495 4.170 -0.011 0.000 0.289 204 I C 0.979 177.064 176.117 -0.053 0.000 1.021 204 I CA -0.199 61.055 61.300 -0.076 0.000 1.224 204 I CB 1.788 39.738 38.000 -0.083 0.000 1.376 204 I HN 0.819 nan 8.210 nan 0.000 0.470 205 T N 1.817 116.375 114.554 0.008 0.000 2.726 205 T HA 0.156 4.500 4.350 -0.011 0.000 0.294 205 T C 1.493 176.242 174.700 0.083 0.000 1.013 205 T CA -0.066 62.081 62.100 0.079 0.000 0.996 205 T CB 1.280 70.290 68.868 0.235 0.000 1.016 205 T HN 0.702 nan 8.240 nan 0.000 0.529 206 G N -1.040 107.804 108.800 0.074 0.000 2.498 206 G HA2 -0.150 3.803 3.960 -0.011 0.000 0.219 206 G HA3 -0.150 3.803 3.960 -0.011 0.000 0.219 206 G C 1.367 176.185 174.900 -0.137 0.000 1.119 206 G CA 0.287 45.358 45.100 -0.048 0.000 0.766 206 G HN 0.917 nan 8.290 nan 0.000 0.552 207 H N 0.031 119.104 119.070 0.005 0.000 2.548 207 H HA 0.113 4.662 4.556 -0.011 0.000 0.268 207 H C 2.246 177.547 175.328 -0.045 0.000 0.975 207 H CA 0.794 56.826 56.048 -0.027 0.000 1.195 207 H CB 0.348 30.109 29.762 -0.002 0.000 1.397 207 H HN 0.436 nan 8.280 nan 0.000 0.572 208 G N 1.492 110.329 108.800 0.063 0.000 2.132 208 G HA2 -0.260 3.694 3.960 -0.011 0.000 0.234 208 G HA3 -0.260 3.694 3.960 -0.011 0.000 0.234 208 G C 0.116 175.031 174.900 0.025 0.000 0.989 208 G CA 0.366 45.473 45.100 0.012 0.000 0.676 208 G HN 0.512 nan 8.290 nan 0.000 0.522 209 E N -0.086 120.147 120.200 0.056 0.000 2.197 209 E HA 0.612 4.955 4.350 -0.011 0.000 0.281 209 E C 0.385 176.991 176.600 0.010 0.000 0.995 209 E CA -1.089 55.330 56.400 0.031 0.000 0.808 209 E CB 0.536 30.259 29.700 0.038 0.000 1.093 209 E HN 0.211 nan 8.360 nan 0.000 0.394 210 M N 5.382 124.977 119.600 -0.008 0.000 2.143 210 M HA 0.220 4.693 4.480 -0.011 0.000 0.348 210 M C -1.909 174.377 176.300 -0.025 0.000 1.375 210 M CA -0.303 54.983 55.300 -0.024 0.000 1.124 210 M CB 0.810 33.394 32.600 -0.026 0.000 1.669 210 M HN 0.257 nan 8.290 nan 0.000 0.469 211 V N 4.775 124.668 119.914 -0.036 0.000 2.531 211 V HA 0.502 4.615 4.120 -0.011 0.000 0.301 211 V C -0.121 175.945 176.094 -0.046 0.000 1.034 211 V CA -0.750 61.528 62.300 -0.037 0.000 0.865 211 V CB 2.051 33.851 31.823 -0.038 0.000 0.995 211 V HN 0.838 nan 8.190 nan 0.000 0.424 212 T N 4.503 119.033 114.554 -0.041 0.000 2.771 212 T HA 0.521 4.864 4.350 -0.011 0.000 0.291 212 T C -0.143 174.532 174.700 -0.042 0.000 0.954 212 T CA -0.242 61.832 62.100 -0.043 0.000 1.045 212 T CB 0.481 69.320 68.868 -0.049 0.000 0.917 212 T HN 1.010 nan 8.240 nan 0.000 0.484 213 C N 1.927 121.215 119.300 -0.020 0.000 2.994 213 C HA 1.012 5.465 4.460 -0.011 0.000 0.304 213 C C 0.015 174.946 174.990 -0.098 0.000 1.273 213 C CA -0.876 58.131 59.018 -0.018 0.000 1.537 213 C CB 1.044 28.819 27.740 0.058 0.000 2.001 213 C HN 0.992 nan 8.230 nan 0.000 0.471 214 S N 0.226 115.696 115.700 -0.382 0.000 2.694 214 S HA 0.476 4.939 4.470 -0.011 0.000 0.273 214 S C 0.091 174.114 174.600 -0.961 0.000 1.180 214 S CA -0.597 56.964 58.200 -1.064 0.000 0.864 214 S CB 0.793 63.642 63.200 -0.585 0.000 1.198 214 S HN 0.740 nan 8.310 nan 0.000 0.499 215 K N 0.241 120.102 120.400 -0.897 0.000 2.211 215 K HA 0.068 4.382 4.320 -0.011 0.000 0.203 215 K C 1.457 177.921 176.600 -0.227 0.000 1.050 215 K CA 1.447 57.492 56.287 -0.403 0.000 0.945 215 K CB -0.471 31.881 32.500 -0.248 0.000 0.732 215 K HN 0.556 nan 8.250 nan 0.000 0.451 216 Q N -0.537 119.122 119.800 -0.234 0.000 2.384 216 Q HA 0.144 4.478 4.340 -0.011 0.000 0.207 216 Q C -0.278 175.649 176.000 -0.122 0.000 0.904 216 Q CA 0.112 55.828 55.803 -0.144 0.000 0.933 216 Q CB 0.538 29.200 28.738 -0.127 0.000 1.077 216 Q HN 0.016 nan 8.270 nan 0.000 0.522 217 L N 0.167 121.301 121.223 -0.149 0.000 2.439 217 L HA 0.383 4.716 4.340 -0.011 0.000 0.270 217 L C -1.184 175.637 176.870 -0.082 0.000 0.972 217 L CA -0.130 54.650 54.840 -0.101 0.000 0.836 217 L CB 1.216 43.216 42.059 -0.098 0.000 1.255 217 L HN 0.233 nan 8.230 nan 0.000 0.404 218 N N 3.002 121.679 118.700 -0.039 0.000 2.727 218 N HA -0.257 4.477 4.740 -0.011 0.000 0.249 218 N C 1.139 176.658 175.510 0.014 0.000 1.048 218 N CA 0.727 53.776 53.050 -0.002 0.000 0.714 218 N CB -0.459 38.026 38.487 -0.003 0.000 0.959 218 N HN 0.826 nan 8.380 nan 0.000 0.544 219 A N 0.568 123.389 122.820 0.001 0.000 2.024 219 A HA -0.256 4.057 4.320 -0.011 0.000 0.220 219 A C 2.062 179.706 177.584 0.099 0.000 1.164 219 A CA 1.889 53.954 52.037 0.046 0.000 0.643 219 A CB -0.223 18.780 19.000 0.006 0.000 0.806 219 A HN 0.688 nan 8.150 nan 0.000 0.451 220 D N 0.173 120.608 120.400 0.058 0.000 2.117 220 D HA -0.182 4.451 4.640 -0.011 0.000 0.197 220 D C 1.779 178.075 176.300 -0.007 0.000 0.987 220 D CA 1.506 55.531 54.000 0.041 0.000 0.829 220 D CB -0.728 40.107 40.800 0.059 0.000 0.961 220 D HN 0.385 nan 8.370 nan 0.000 0.460 221 L N -0.532 120.670 121.223 -0.035 0.000 2.109 221 L HA 0.050 4.383 4.340 -0.011 0.000 0.207 221 L C 2.290 179.067 176.870 -0.155 0.000 1.086 221 L CA 1.042 55.701 54.840 -0.302 0.000 0.760 221 L CB -0.914 40.846 42.059 -0.498 0.000 0.910 221 L HN -0.040 nan 8.230 nan 0.000 0.437 222 F N 0.812 120.669 119.950 -0.156 0.000 2.069 222 F HA -0.264 4.256 4.527 -0.011 0.000 0.298 222 F C 2.172 177.936 175.800 -0.061 0.000 1.113 222 F CA 2.245 60.187 58.000 -0.097 0.000 1.214 222 F CB -0.456 38.503 39.000 -0.069 0.000 0.978 222 F HN 0.207 nan 8.300 nan 0.000 0.474 223 D N 0.326 120.755 120.400 0.047 0.000 2.144 223 D HA -0.129 4.505 4.640 -0.011 0.000 0.199 223 D C 2.345 178.603 176.300 -0.070 0.000 0.984 223 D CA 1.398 55.385 54.000 -0.022 0.000 0.834 223 D CB -0.696 40.149 40.800 0.075 0.000 0.955 223 D HN 0.401 nan 8.370 nan 0.000 0.465 224 A N 0.608 123.326 122.820 -0.169 0.000 1.898 224 A HA -0.111 4.202 4.320 -0.011 0.000 0.216 224 A C 2.518 180.063 177.584 -0.066 0.000 1.181 224 A CA 1.078 52.916 52.037 -0.332 0.000 0.620 224 A CB -0.692 17.747 19.000 -0.935 0.000 0.819 224 A HN 0.139 nan 8.150 nan 0.000 0.442 225 V N 0.400 120.272 119.914 -0.070 0.000 2.427 225 V HA -0.110 4.003 4.120 -0.011 0.000 0.248 225 V C 1.195 177.339 176.094 0.084 0.000 1.051 225 V CA 0.793 63.147 62.300 0.090 0.000 1.048 225 V CB -0.839 30.961 31.823 -0.039 0.000 0.666 225 V HN 0.466 nan 8.190 nan 0.000 0.456 226 L N 1.453 122.645 121.223 -0.052 0.000 2.565 226 L HA 0.352 4.685 4.340 -0.011 0.000 0.275 226 L C 1.374 178.342 176.870 0.164 0.000 1.137 226 L CA 0.804 55.627 54.840 -0.028 0.000 0.915 226 L CB -0.418 41.514 42.059 -0.211 0.000 1.232 226 L HN 0.465 nan 8.230 nan 0.000 0.473 227 G N 2.609 111.557 108.800 0.246 0.000 2.148 227 G HA2 -0.266 3.687 3.960 -0.011 0.000 0.254 227 G HA3 -0.266 3.687 3.960 -0.011 0.000 0.254 227 G C 0.849 176.044 174.900 0.492 0.000 0.981 227 G CA 0.163 45.493 45.100 0.384 0.000 0.670 227 G HN 0.872 nan 8.290 nan 0.000 0.528 228 G N -0.017 109.057 108.800 0.456 0.000 2.848 228 G HA2 0.380 4.334 3.960 -0.011 0.000 0.208 228 G HA3 0.380 4.334 3.960 -0.011 0.000 0.208 228 G C 1.156 176.323 174.900 0.444 0.000 1.152 228 G CA 0.536 46.007 45.100 0.620 0.000 0.789 228 G HN 1.460 nan 8.290 nan 0.000 0.531 229 L N -1.145 120.293 121.223 0.359 0.000 3.839 229 L HA -0.248 4.086 4.340 -0.011 0.000 0.416 229 L C 1.659 178.622 176.870 0.155 0.000 1.195 229 L CA 0.252 55.245 54.840 0.256 0.000 0.946 229 L CB -1.939 40.285 42.059 0.276 0.000 1.891 229 L HN 0.582 nan 8.230 nan 0.000 0.963 230 G N -1.029 107.861 108.800 0.151 0.000 2.203 230 G HA2 -0.326 3.628 3.960 -0.011 0.000 0.263 230 G HA3 -0.326 3.628 3.960 -0.011 0.000 0.263 230 G C 0.781 175.700 174.900 0.032 0.000 1.012 230 G CA 0.706 45.899 45.100 0.155 0.000 0.749 230 G HN 0.524 nan 8.290 nan 0.000 0.512 231 Q N -1.393 118.257 119.800 -0.251 0.000 2.389 231 Q HA 0.215 4.548 4.340 -0.011 0.000 0.204 231 Q C 1.763 177.307 176.000 -0.760 0.000 0.944 231 Q CA 0.951 56.398 55.803 -0.593 0.000 0.908 231 Q CB -0.001 28.163 28.738 -0.958 0.000 1.002 231 Q HN 0.725 nan 8.270 nan 0.000 0.493 232 F N -0.918 119.020 119.950 -0.020 0.000 2.724 232 F HA 0.477 4.997 4.527 -0.011 0.000 0.306 232 F C 1.125 176.904 175.800 -0.036 0.000 1.100 232 F CA 0.186 58.156 58.000 -0.051 0.000 1.255 232 F CB 0.957 39.879 39.000 -0.129 0.000 1.072 232 F HN -0.050 nan 8.300 nan 0.000 0.589 233 G N -0.224 108.645 108.800 0.114 0.000 2.321 233 G HA2 0.346 4.300 3.960 -0.011 0.000 0.298 233 G HA3 0.346 4.300 3.960 -0.011 0.000 0.298 233 G C -2.191 172.601 174.900 -0.180 0.000 1.385 233 G CA -0.673 44.434 45.100 0.012 0.000 0.856 233 G HN -0.067 nan 8.290 nan 0.000 0.584 234 V N 0.945 120.576 119.914 -0.472 0.000 2.394 234 V HA 0.664 4.778 4.120 -0.011 0.000 0.282 234 V C 0.280 176.140 176.094 -0.390 0.000 1.031 234 V CA -0.921 60.897 62.300 -0.804 0.000 0.881 234 V CB 0.761 31.717 31.823 -1.444 0.000 0.982 234 V HN 0.616 nan 8.190 nan 0.000 0.451 235 I N 6.779 127.183 120.570 -0.276 0.000 2.436 235 I HA 0.187 4.351 4.170 -0.011 0.000 0.289 235 I C 1.513 177.533 176.117 -0.162 0.000 1.083 235 I CA 0.425 61.627 61.300 -0.164 0.000 1.372 235 I CB 1.424 39.363 38.000 -0.101 0.000 1.408 235 I HN 0.867 nan 8.210 nan 0.000 0.516 236 T N 2.807 117.281 114.554 -0.134 0.000 3.014 236 T HA 0.168 4.512 4.350 -0.011 0.000 0.250 236 T C 0.689 175.336 174.700 -0.089 0.000 1.060 236 T CA -0.153 61.880 62.100 -0.111 0.000 1.040 236 T CB 0.301 69.111 68.868 -0.096 0.000 0.971 236 T HN 0.592 nan 8.240 nan 0.000 0.497 237 R N 0.180 120.630 120.500 -0.084 0.000 2.566 237 R HA 0.653 4.986 4.340 -0.011 0.000 0.271 237 R C -2.276 173.983 176.300 -0.070 0.000 1.071 237 R CA -0.549 55.505 56.100 -0.077 0.000 0.915 237 R CB 1.798 32.061 30.300 -0.062 0.000 1.228 237 R HN 0.231 nan 8.270 nan 0.000 0.449 238 A N 3.744 126.516 122.820 -0.079 0.000 2.374 238 A HA 0.537 4.851 4.320 -0.011 0.000 0.305 238 A C -1.107 176.440 177.584 -0.061 0.000 1.053 238 A CA -0.768 51.233 52.037 -0.058 0.000 0.726 238 A CB 1.509 20.471 19.000 -0.064 0.000 1.229 238 A HN 0.740 nan 8.150 nan 0.000 0.431 239 R N 2.511 122.978 120.500 -0.055 0.000 2.205 239 R HA 0.560 4.893 4.340 -0.011 0.000 0.342 239 R C -1.191 175.088 176.300 -0.035 0.000 1.058 239 R CA -0.039 56.003 56.100 -0.096 0.000 0.904 239 R CB -0.135 30.016 30.300 -0.249 0.000 1.089 239 R HN 0.640 nan 8.270 nan 0.000 0.471 240 I N 3.832 124.410 120.570 0.014 0.000 2.336 240 I HA 0.358 4.521 4.170 -0.011 0.000 0.292 240 I C 0.451 176.608 176.117 0.066 0.000 0.991 240 I CA -0.804 60.522 61.300 0.042 0.000 1.227 240 I CB 1.889 39.922 38.000 0.056 0.000 1.366 240 I HN 0.675 nan 8.210 nan 0.000 0.466 241 A N 6.515 129.353 122.820 0.031 0.000 2.462 241 A HA 0.556 4.869 4.320 -0.011 0.000 0.243 241 A C -0.006 177.566 177.584 -0.019 0.000 1.076 241 A CA -0.219 51.835 52.037 0.029 0.000 0.773 241 A CB 0.358 19.352 19.000 -0.010 0.000 1.010 241 A HN 0.678 nan 8.150 nan 0.000 0.493 242 V N -0.091 119.822 119.914 -0.001 0.000 3.158 242 V HA 0.943 5.057 4.120 -0.011 0.000 0.311 242 V C -0.634 175.439 176.094 -0.035 0.000 1.181 242 V CA -0.587 61.696 62.300 -0.028 0.000 1.054 242 V CB 1.714 33.542 31.823 0.009 0.000 1.085 242 V HN 1.137 nan 8.190 nan 0.000 0.446 243 E N 0.363 120.545 120.200 -0.030 0.000 2.416 243 E HA 0.673 5.017 4.350 -0.011 0.000 0.273 243 E C -3.202 173.394 176.600 -0.006 0.000 0.935 243 E CA -2.492 53.892 56.400 -0.026 0.000 0.784 243 E CB 2.101 31.772 29.700 -0.049 0.000 1.301 243 E HN 0.462 nan 8.360 nan 0.000 0.454 244 P HA 0.039 nan 4.420 nan 0.000 0.265 244 P C -0.871 176.415 177.300 -0.022 0.000 1.193 244 P CA 0.243 63.335 63.100 -0.013 0.000 0.765 244 P CB 0.633 32.323 31.700 -0.017 0.000 0.823 245 A N 6.010 128.826 122.820 -0.006 0.000 2.454 245 A HA 0.369 4.683 4.320 -0.011 0.000 0.260 245 A C -1.734 175.777 177.584 -0.121 0.000 1.106 245 A CA -0.903 51.124 52.037 -0.016 0.000 0.780 245 A CB -0.854 18.189 19.000 0.071 0.000 1.044 245 A HN 0.409 nan 8.150 nan 0.000 0.498 246 P HA 0.369 nan 4.420 nan 0.000 0.276 246 P C 0.446 177.572 177.300 -0.291 0.000 1.244 246 P CA 0.075 62.957 63.100 -0.363 0.000 0.801 246 P CB 1.620 32.970 31.700 -0.583 0.000 1.006 247 A N 2.398 125.066 122.820 -0.252 0.000 1.956 247 A HA 0.132 4.446 4.320 -0.011 0.000 0.212 247 A C 1.093 178.546 177.584 -0.218 0.000 1.188 247 A CA 0.730 52.661 52.037 -0.177 0.000 0.675 247 A CB -0.024 18.881 19.000 -0.158 0.000 0.845 247 A HN 0.551 nan 8.150 nan 0.000 0.455 248 R N -2.321 117.897 120.500 -0.470 0.000 2.817 248 R HA 0.707 5.040 4.340 -0.011 0.000 0.268 248 R C -1.389 174.651 176.300 -0.433 0.000 1.027 248 R CA -0.294 55.525 56.100 -0.469 0.000 0.928 248 R CB 1.958 31.838 30.300 -0.700 0.000 1.228 248 R HN 0.220 nan 8.270 nan 0.000 0.469 249 A N 1.431 124.160 122.820 -0.152 0.000 2.353 249 A HA 0.528 4.842 4.320 -0.011 0.000 0.299 249 A C -1.056 176.607 177.584 0.133 0.000 1.089 249 A CA -0.647 51.355 52.037 -0.059 0.000 0.736 249 A CB 1.386 20.234 19.000 -0.254 0.000 1.195 249 A HN 0.519 nan 8.150 nan 0.000 0.447 250 R N 2.214 122.866 120.500 0.253 0.000 2.248 250 R HA 0.303 4.636 4.340 -0.011 0.000 0.328 250 R C -1.292 175.144 176.300 0.228 0.000 1.067 250 R CA -0.464 55.792 56.100 0.260 0.000 0.924 250 R CB 0.145 30.554 30.300 0.182 0.000 1.013 250 R HN 0.678 nan 8.270 nan 0.000 0.454 251 W N 6.629 127.972 121.300 0.072 0.000 2.329 251 W HA 0.515 5.168 4.660 -0.011 0.000 0.312 251 W C -1.334 175.351 176.519 0.275 0.000 1.054 251 W CA -1.056 56.359 57.345 0.116 0.000 1.245 251 W CB 1.054 30.641 29.460 0.212 0.000 1.255 251 W HN 0.315 nan 8.180 nan 0.000 0.436 252 V N 7.853 128.083 119.914 0.527 0.000 2.823 252 V HA 0.661 4.775 4.120 -0.011 0.000 0.312 252 V C -0.970 175.223 176.094 0.164 0.000 1.072 252 V CA -1.012 61.495 62.300 0.346 0.000 0.937 252 V CB 2.267 34.216 31.823 0.211 0.000 1.013 252 V HN 0.489 nan 8.190 nan 0.000 0.430 253 R N 4.739 125.301 120.500 0.103 0.000 2.561 253 R HA 0.658 4.991 4.340 -0.011 0.000 0.297 253 R C -1.926 174.550 176.300 0.294 0.000 0.969 253 R CA -0.793 55.340 56.100 0.055 0.000 0.879 253 R CB 1.883 31.985 30.300 -0.329 0.000 1.178 253 R HN 0.441 nan 8.270 nan 0.000 0.445 254 L N 3.218 124.599 121.223 0.264 0.000 2.346 254 L HA 0.499 4.832 4.340 -0.011 0.000 0.276 254 L C -0.376 176.706 176.870 0.352 0.000 1.006 254 L CA -0.849 54.080 54.840 0.149 0.000 0.817 254 L CB 1.930 44.003 42.059 0.023 0.000 1.272 254 L HN 0.307 nan 8.230 nan 0.000 0.421 255 V N 3.739 123.818 119.914 0.276 0.000 2.483 255 V HA 0.535 4.648 4.120 -0.011 0.000 0.295 255 V C -0.833 175.260 176.094 -0.001 0.000 1.035 255 V CA -0.697 61.755 62.300 0.252 0.000 0.896 255 V CB 1.440 33.400 31.823 0.228 0.000 0.986 255 V HN 0.549 nan 8.190 nan 0.000 0.447 256 Y N 1.074 121.500 120.300 0.212 0.000 2.545 256 Y HA 0.484 5.028 4.550 -0.011 0.000 0.348 256 Y C 1.011 177.012 175.900 0.167 0.000 1.002 256 Y CA -0.674 57.554 58.100 0.213 0.000 1.039 256 Y CB 2.550 41.208 38.460 0.330 0.000 1.271 256 Y HN 0.654 nan 8.280 nan 0.000 0.467 257 T N -3.995 110.739 114.554 0.300 0.000 2.975 257 T HA 0.118 4.461 4.350 -0.011 0.000 0.257 257 T C -0.329 174.580 174.700 0.349 0.000 1.003 257 T CA 0.007 62.239 62.100 0.220 0.000 0.932 257 T CB 0.117 69.028 68.868 0.070 0.000 1.087 257 T HN 0.465 nan 8.240 nan 0.000 0.512 258 D N 0.516 121.140 120.400 0.372 0.000 2.392 258 D HA 0.333 4.966 4.640 -0.011 0.000 0.228 258 D C 0.443 176.870 176.300 0.213 0.000 1.074 258 D CA -1.205 52.973 54.000 0.296 0.000 0.838 258 D CB 0.743 41.673 40.800 0.217 0.000 1.067 258 D HN -0.005 nan 8.370 nan 0.000 0.511 259 F N 4.319 124.241 119.950 -0.046 0.000 2.171 259 F HA -0.082 4.438 4.527 -0.011 0.000 0.300 259 F C 1.981 177.714 175.800 -0.111 0.000 1.090 259 F CA 1.722 59.489 58.000 -0.388 0.000 1.293 259 F CB -0.076 38.666 39.000 -0.430 0.000 1.013 259 F HN 0.500 nan 8.300 nan 0.000 0.486 260 A N 0.320 123.124 122.820 -0.026 0.000 1.908 260 A HA -0.098 4.216 4.320 -0.011 0.000 0.218 260 A C 2.425 179.919 177.584 -0.150 0.000 1.181 260 A CA 1.913 53.905 52.037 -0.076 0.000 0.627 260 A CB -1.546 17.483 19.000 0.049 0.000 0.818 260 A HN 0.484 nan 8.150 nan 0.000 0.445 261 A N -1.176 121.613 122.820 -0.051 0.000 1.898 261 A HA 0.032 4.345 4.320 -0.011 0.000 0.216 261 A C 2.035 179.458 177.584 -0.268 0.000 1.181 261 A CA 1.524 53.561 52.037 0.000 0.000 0.620 261 A CB -0.717 18.433 19.000 0.250 0.000 0.819 261 A HN 0.739 nan 8.150 nan 0.000 0.442 262 F N 2.326 121.850 119.950 -0.709 0.000 2.069 262 F HA -0.242 4.279 4.527 -0.011 0.000 0.298 262 F C 2.709 178.050 175.800 -0.764 0.000 1.113 262 F CA 2.308 59.599 58.000 -1.181 0.000 1.214 262 F CB -0.575 37.873 39.000 -0.921 0.000 0.978 262 F HN 0.302 nan 8.300 nan 0.000 0.474 263 S N 0.746 115.875 115.700 -0.953 0.000 2.383 263 S HA -0.073 4.391 4.470 -0.011 0.000 0.227 263 S C 2.275 176.623 174.600 -0.421 0.000 1.026 263 S CA 0.749 58.483 58.200 -0.777 0.000 0.981 263 S CB -1.320 61.429 63.200 -0.751 0.000 0.818 263 S HN 0.507 nan 8.310 nan 0.000 0.472 264 A N 2.282 124.906 122.820 -0.327 0.000 1.933 264 A HA -0.117 4.197 4.320 -0.011 0.000 0.218 264 A C 1.940 179.420 177.584 -0.173 0.000 1.175 264 A CA 1.778 53.709 52.037 -0.176 0.000 0.628 264 A CB -0.874 18.064 19.000 -0.104 0.000 0.814 264 A HN 0.483 nan 8.150 nan 0.000 0.444 265 D N -0.642 119.623 120.400 -0.225 0.000 2.149 265 D HA -0.094 4.540 4.640 -0.011 0.000 0.201 265 D C 2.210 178.382 176.300 -0.212 0.000 0.972 265 D CA 1.089 55.006 54.000 -0.138 0.000 0.835 265 D CB -0.336 40.463 40.800 -0.002 0.000 0.966 265 D HN 0.589 nan 8.370 nan 0.000 0.476 266 Q N 0.297 119.868 119.800 -0.381 0.000 2.084 266 Q HA -0.128 4.205 4.340 -0.011 0.000 0.202 266 Q C 1.923 177.732 176.000 -0.318 0.000 0.978 266 Q CA 0.938 56.510 55.803 -0.385 0.000 0.844 266 Q CB -0.009 28.429 28.738 -0.501 0.000 0.898 266 Q HN 0.422 nan 8.270 nan 0.000 0.426 267 E N 0.251 120.300 120.200 -0.252 0.000 2.150 267 E HA -0.160 4.184 4.350 -0.011 0.000 0.193 267 E C 2.000 178.518 176.600 -0.137 0.000 0.985 267 E CA 0.450 56.736 56.400 -0.190 0.000 0.814 267 E CB 0.007 29.638 29.700 -0.115 0.000 0.752 267 E HN 0.174 nan 8.360 nan 0.000 0.466 268 R N 0.759 121.190 120.500 -0.115 0.000 2.075 268 R HA -0.080 4.253 4.340 -0.011 0.000 0.232 268 R C 2.240 178.499 176.300 -0.067 0.000 1.126 268 R CA 0.852 56.913 56.100 -0.064 0.000 0.963 268 R CB -0.077 30.201 30.300 -0.036 0.000 0.858 268 R HN 0.158 nan 8.270 nan 0.000 0.435 269 L N 0.062 121.212 121.223 -0.121 0.000 2.201 269 L HA -0.084 4.249 4.340 -0.011 0.000 0.212 269 L C 2.037 178.758 176.870 -0.249 0.000 1.105 269 L CA 1.618 56.370 54.840 -0.146 0.000 0.775 269 L CB -0.224 41.725 42.059 -0.184 0.000 0.913 269 L HN 0.378 nan 8.230 nan 0.000 0.440 270 T N -3.564 110.781 114.554 -0.349 0.000 3.069 270 T HA 0.403 4.746 4.350 -0.011 0.000 0.252 270 T C 0.704 175.461 174.700 0.095 0.000 1.053 270 T CA 0.015 61.856 62.100 -0.432 0.000 0.964 270 T CB 0.087 68.508 68.868 -0.745 0.000 1.005 270 T HN 0.140 nan 8.240 nan 0.000 0.532 271 A N 2.775 125.642 122.820 0.078 0.000 2.407 271 A HA 0.590 4.904 4.320 -0.011 0.000 0.248 271 A C -2.435 175.275 177.584 0.209 0.000 1.082 271 A CA -1.340 50.774 52.037 0.129 0.000 0.785 271 A CB -0.161 18.860 19.000 0.034 0.000 1.020 271 A HN 0.267 nan 8.150 nan 0.000 0.489 272 P HA 0.266 nan 4.420 nan 0.000 0.271 272 P C -0.044 177.157 177.300 -0.166 0.000 1.218 272 P CA -0.053 62.903 63.100 -0.240 0.000 0.780 272 P CB 0.626 32.170 31.700 -0.260 0.000 0.901 281 F N 1.771 121.707 119.950 -0.023 0.000 2.631 281 F HA 0.782 5.302 4.527 -0.011 0.000 0.328 281 F C 1.365 177.194 175.800 0.048 0.000 1.067 281 F CA -0.052 57.964 58.000 0.026 0.000 0.969 281 F CB 1.030 40.042 39.000 0.020 0.000 1.332 281 F HN 0.714 nan 8.300 nan 0.000 0.490 282 G N 0.493 109.474 108.800 0.302 0.000 2.590 282 G HA2 0.237 4.190 3.960 -0.011 0.000 0.276 282 G HA3 0.237 4.190 3.960 -0.011 0.000 0.276 282 G C -1.968 173.037 174.900 0.174 0.000 1.337 282 G CA -0.580 44.630 45.100 0.182 0.000 1.030 282 G HN 0.456 nan 8.290 nan 0.000 0.534 283 P HA 0.004 nan 4.420 nan 0.000 0.216 283 P C 0.921 178.301 177.300 0.133 0.000 1.153 283 P CA 0.658 63.823 63.100 0.108 0.000 0.844 283 P CB 0.080 31.828 31.700 0.079 0.000 0.787 284 M N 0.075 119.769 119.600 0.157 0.000 2.261 284 M HA -0.026 4.448 4.480 -0.011 0.000 0.350 284 M C 1.195 177.654 176.300 0.266 0.000 1.343 284 M CA 0.923 56.334 55.300 0.184 0.000 1.003 284 M CB -0.591 32.091 32.600 0.137 0.000 1.848 284 M HN -0.100 nan 8.290 nan 0.000 0.456 285 S N 2.178 118.004 115.700 0.210 0.000 2.486 285 S HA 0.079 4.542 4.470 -0.011 0.000 0.220 285 S C -0.036 174.763 174.600 0.332 0.000 1.011 285 S CA 0.214 58.536 58.200 0.204 0.000 0.921 285 S CB 0.102 63.380 63.200 0.129 0.000 0.785 285 S HN 0.711 nan 8.310 nan 0.000 0.517 286 Y N 0.300 120.711 120.300 0.185 0.000 2.482 286 Y HA 0.548 5.091 4.550 -0.011 0.000 0.334 286 Y C -2.070 173.881 175.900 0.086 0.000 1.091 286 Y CA -0.905 57.304 58.100 0.182 0.000 1.027 286 Y CB 1.335 39.839 38.460 0.073 0.000 1.306 286 Y HN -0.208 nan 8.280 nan 0.000 0.446 287 V N 6.016 125.677 119.914 -0.421 0.000 2.610 287 V HA 0.426 4.540 4.120 -0.011 0.000 0.298 287 V C -0.837 174.799 176.094 -0.764 0.000 1.067 287 V CA -0.633 61.378 62.300 -0.482 0.000 0.894 287 V CB 1.587 33.078 31.823 -0.553 0.000 1.015 287 V HN 0.905 nan 8.190 nan 0.000 0.432 288 E N 1.858 121.722 120.200 -0.560 0.000 2.440 288 E HA 0.878 5.221 4.350 -0.011 0.000 0.263 288 E C -0.321 176.312 176.600 0.055 0.000 0.938 288 E CA -0.859 55.267 56.400 -0.457 0.000 0.831 288 E CB 2.934 32.350 29.700 -0.474 0.000 1.456 288 E HN 0.794 nan 8.360 nan 0.000 0.427 289 G N -0.249 108.718 108.800 0.277 0.000 2.692 289 G HA2 0.547 4.500 3.960 -0.011 0.000 0.291 289 G HA3 0.547 4.500 3.960 -0.011 0.000 0.291 289 G C -1.405 173.676 174.900 0.301 0.000 1.423 289 G CA -0.418 44.946 45.100 0.440 0.000 0.843 289 G HN 0.285 nan 8.290 nan 0.000 0.486 290 S N -1.190 114.603 115.700 0.154 0.000 2.549 290 S HA 0.712 5.176 4.470 -0.011 0.000 0.280 290 S C -0.798 173.530 174.600 -0.453 0.000 1.109 290 S CA -0.631 57.446 58.200 -0.205 0.000 0.905 290 S CB 2.091 65.070 63.200 -0.368 0.000 1.081 290 S HN 0.679 nan 8.310 nan 0.000 0.477 291 V N 2.702 122.229 119.914 -0.646 0.000 2.384 291 V HA 0.530 4.644 4.120 -0.011 0.000 0.287 291 V C -1.461 174.177 176.094 -0.761 0.000 1.020 291 V CA -0.484 61.392 62.300 -0.706 0.000 0.850 291 V CB 0.642 31.920 31.823 -0.908 0.000 0.987 291 V HN 0.801 nan 8.190 nan 0.000 0.436 292 F N 4.284 124.027 119.950 -0.346 0.000 2.403 292 F HA 0.531 5.052 4.527 -0.011 0.000 0.355 292 F C 0.326 175.980 175.800 -0.243 0.000 1.119 292 F CA -0.926 56.937 58.000 -0.229 0.000 1.007 292 F CB 1.799 40.686 39.000 -0.189 0.000 1.194 292 F HN 0.414 nan 8.300 nan 0.000 0.443 293 V N 0.897 120.806 119.914 -0.009 0.000 2.686 293 V HA 0.213 4.326 4.120 -0.011 0.000 0.295 293 V C 1.141 177.231 176.094 -0.008 0.000 1.055 293 V CA -0.544 61.740 62.300 -0.028 0.000 1.050 293 V CB 1.042 32.869 31.823 0.007 0.000 0.984 293 V HN 0.821 nan 8.190 nan 0.000 0.482 294 N N 2.373 121.052 118.700 -0.034 0.000 2.094 294 N HA -0.257 4.476 4.740 -0.011 0.000 0.191 294 N C 1.685 177.183 175.510 -0.020 0.000 1.023 294 N CA 2.148 55.177 53.050 -0.035 0.000 0.857 294 N CB -0.318 38.146 38.487 -0.039 0.000 1.013 294 N HN 0.958 nan 8.380 nan 0.000 0.426 295 Q N 0.193 119.988 119.800 -0.007 0.000 2.133 295 Q HA -0.117 4.217 4.340 -0.011 0.000 0.208 295 Q C 0.946 176.949 176.000 0.004 0.000 0.991 295 Q CA 2.198 58.000 55.803 -0.001 0.000 0.867 295 Q CB -0.429 28.313 28.738 0.006 0.000 0.911 295 Q HN 0.510 nan 8.270 nan 0.000 0.417 296 S N -1.459 114.250 115.700 0.016 0.000 2.651 296 S HA 0.184 4.648 4.470 -0.011 0.000 0.246 296 S C 1.043 175.652 174.600 0.015 0.000 1.039 296 S CA -0.223 57.991 58.200 0.022 0.000 1.013 296 S CB 0.160 63.387 63.200 0.046 0.000 0.861 296 S HN 0.295 nan 8.310 nan 0.000 0.485 297 L N 2.522 123.735 121.223 -0.015 0.000 1.971 297 L HA -0.038 4.295 4.340 -0.011 0.000 0.215 297 L C 2.626 179.424 176.870 -0.120 0.000 1.072 297 L CA 2.513 57.311 54.840 -0.070 0.000 0.758 297 L CB -1.263 40.735 42.059 -0.101 0.000 0.889 297 L HN 0.448 nan 8.230 nan 0.000 0.433 298 A N -1.881 120.882 122.820 -0.094 0.000 1.883 298 A HA -0.256 4.057 4.320 -0.011 0.000 0.217 298 A C 2.279 179.824 177.584 -0.066 0.000 1.186 298 A CA 2.642 54.622 52.037 -0.096 0.000 0.624 298 A CB -1.351 17.611 19.000 -0.062 0.000 0.822 298 A HN 0.566 nan 8.150 nan 0.000 0.444 299 T N 0.150 114.689 114.554 -0.026 0.000 2.708 299 T HA -0.120 4.224 4.350 -0.011 0.000 0.266 299 T C 1.524 176.240 174.700 0.028 0.000 1.037 299 T CA 1.509 63.613 62.100 0.007 0.000 1.146 299 T CB -0.424 68.458 68.868 0.024 0.000 0.865 299 T HN 0.490 nan 8.240 nan 0.000 0.435 300 D N 1.186 121.611 120.400 0.042 0.000 2.117 300 D HA 0.002 4.636 4.640 -0.011 0.000 0.198 300 D C 2.190 178.529 176.300 0.066 0.000 0.982 300 D CA 0.719 54.792 54.000 0.122 0.000 0.828 300 D CB -0.388 40.564 40.800 0.254 0.000 0.967 300 D HN 0.315 nan 8.370 nan 0.000 0.464 301 L N 0.785 121.913 121.223 -0.160 0.000 2.046 301 L HA -0.145 4.188 4.340 -0.011 0.000 0.208 301 L C 2.567 179.456 176.870 0.032 0.000 1.077 301 L CA 1.131 55.825 54.840 -0.243 0.000 0.747 301 L CB -0.425 41.339 42.059 -0.493 0.000 0.896 301 L HN -0.022 nan 8.230 nan 0.000 0.432 302 A N 0.116 122.938 122.820 0.003 0.000 1.930 302 A HA -0.171 4.142 4.320 -0.011 0.000 0.217 302 A C 1.849 179.477 177.584 0.073 0.000 1.175 302 A CA 1.642 53.704 52.037 0.041 0.000 0.627 302 A CB -0.490 18.517 19.000 0.013 0.000 0.815 302 A HN 0.428 nan 8.150 nan 0.000 0.443 303 N N 0.132 118.884 118.700 0.086 0.000 2.521 303 N HA -0.069 4.665 4.740 -0.011 0.000 0.188 303 N C 1.551 177.143 175.510 0.137 0.000 1.146 303 N CA 1.372 54.484 53.050 0.105 0.000 0.893 303 N CB -0.468 38.086 38.487 0.112 0.000 0.975 303 N HN 0.733 nan 8.380 nan 0.000 0.451 304 T N -3.376 111.278 114.554 0.166 0.000 2.995 304 T HA 0.067 4.410 4.350 -0.011 0.000 0.269 304 T C 1.604 176.377 174.700 0.122 0.000 1.091 304 T CA 0.954 63.166 62.100 0.187 0.000 1.128 304 T CB -0.243 68.764 68.868 0.230 0.000 0.891 304 T HN 0.242 nan 8.240 nan 0.000 0.492 305 G N 0.329 109.177 108.800 0.080 0.000 2.155 305 G HA2 -0.298 3.656 3.960 -0.011 0.000 0.257 305 G HA3 -0.298 3.656 3.960 -0.011 0.000 0.257 305 G C 0.298 175.162 174.900 -0.061 0.000 0.983 305 G CA 0.444 45.558 45.100 0.023 0.000 0.676 305 G HN 0.574 nan 8.290 nan 0.000 0.528 306 F N -0.339 119.436 119.950 -0.292 0.000 2.537 306 F HA 0.593 5.113 4.527 -0.011 0.000 0.277 306 F C 0.990 176.467 175.800 -0.537 0.000 1.013 306 F CA -0.393 57.265 58.000 -0.570 0.000 1.332 306 F CB 0.373 38.861 39.000 -0.854 0.000 1.108 306 F HN -0.011 nan 8.300 nan 0.000 0.679 307 F N 1.377 121.326 119.950 -0.001 0.000 2.375 307 F HA 0.333 4.853 4.527 -0.011 0.000 0.333 307 F C 0.983 176.703 175.800 -0.133 0.000 1.104 307 F CA -0.742 57.182 58.000 -0.126 0.000 1.149 307 F CB 0.518 39.398 39.000 -0.201 0.000 1.190 307 F HN -0.138 nan 8.300 nan 0.000 0.533 308 T N -2.309 112.297 114.554 0.086 0.000 2.881 308 T HA 0.189 4.532 4.350 -0.011 0.000 0.278 308 T C 0.769 175.484 174.700 0.026 0.000 0.982 308 T CA -0.819 61.297 62.100 0.026 0.000 0.989 308 T CB 1.010 69.888 68.868 0.015 0.000 1.058 308 T HN 0.523 nan 8.240 nan 0.000 0.529 309 D N 0.605 121.009 120.400 0.007 0.000 2.218 309 D HA -0.081 4.552 4.640 -0.011 0.000 0.204 309 D C 2.220 178.516 176.300 -0.007 0.000 0.976 309 D CA 1.415 55.411 54.000 -0.005 0.000 0.853 309 D CB -0.350 40.447 40.800 -0.005 0.000 0.939 309 D HN 0.736 nan 8.370 nan 0.000 0.481 310 A N 1.369 124.194 122.820 0.009 0.000 1.898 310 A HA -0.166 4.148 4.320 -0.011 0.000 0.216 310 A C 1.851 179.452 177.584 0.029 0.000 1.181 310 A CA 1.357 53.405 52.037 0.018 0.000 0.620 310 A CB -0.185 18.831 19.000 0.027 0.000 0.819 310 A HN 0.009 nan 8.150 nan 0.000 0.442 311 D N -0.007 120.419 120.400 0.042 0.000 2.097 311 D HA -0.114 4.519 4.640 -0.011 0.000 0.195 311 D C 2.110 178.317 176.300 -0.155 0.000 0.989 311 D CA 1.510 55.520 54.000 0.016 0.000 0.827 311 D CB -0.623 40.160 40.800 -0.030 0.000 0.966 311 D HN 0.204 nan 8.370 nan 0.000 0.456 312 V N 1.741 121.551 119.914 -0.173 0.000 2.287 312 V HA -0.279 3.834 4.120 -0.011 0.000 0.248 312 V C 2.606 178.622 176.094 -0.130 0.000 1.053 312 V CA 1.960 64.126 62.300 -0.223 0.000 1.027 312 V CB -0.912 30.825 31.823 -0.143 0.000 0.646 312 V HN 0.199 nan 8.190 nan 0.000 0.447 313 A N -0.147 122.638 122.820 -0.059 0.000 1.908 313 A HA -0.255 4.058 4.320 -0.011 0.000 0.218 313 A C 2.370 179.962 177.584 0.012 0.000 1.181 313 A CA 2.041 54.063 52.037 -0.024 0.000 0.627 313 A CB -0.507 18.488 19.000 -0.007 0.000 0.818 313 A HN 0.542 nan 8.150 nan 0.000 0.445 314 R N -0.697 119.836 120.500 0.054 0.000 2.092 314 R HA 0.024 4.357 4.340 -0.011 0.000 0.231 314 R C 1.947 178.414 176.300 0.279 0.000 1.119 314 R CA 1.486 57.688 56.100 0.170 0.000 0.970 314 R CB -0.405 29.995 30.300 0.168 0.000 0.864 314 R HN 0.584 nan 8.270 nan 0.000 0.440 315 I N 0.084 120.747 120.570 0.155 0.000 2.353 315 I HA -0.207 3.956 4.170 -0.011 0.000 0.248 315 I C 2.130 178.186 176.117 -0.102 0.000 1.119 315 I CA 0.867 62.165 61.300 -0.004 0.000 1.417 315 I CB -0.143 37.694 38.000 -0.272 0.000 1.078 315 I HN -0.042 nan 8.210 nan 0.000 0.421 316 V N 1.169 121.025 119.914 -0.096 0.000 2.343 316 V HA -0.285 3.828 4.120 -0.011 0.000 0.247 316 V C 2.737 178.803 176.094 -0.047 0.000 1.051 316 V CA 2.019 64.267 62.300 -0.087 0.000 1.036 316 V CB -0.955 30.822 31.823 -0.076 0.000 0.654 316 V HN 0.487 nan 8.190 nan 0.000 0.451 317 A N -0.101 122.716 122.820 -0.006 0.000 1.898 317 A HA -0.183 4.130 4.320 -0.011 0.000 0.216 317 A C 2.160 179.747 177.584 0.006 0.000 1.181 317 A CA 2.004 54.050 52.037 0.015 0.000 0.620 317 A CB -0.576 18.454 19.000 0.051 0.000 0.819 317 A HN 0.463 nan 8.150 nan 0.000 0.442 318 L N -0.031 121.190 121.223 -0.002 0.000 2.012 318 L HA -0.116 4.217 4.340 -0.011 0.000 0.210 318 L C 2.629 179.440 176.870 -0.099 0.000 1.073 318 L CA 2.397 57.185 54.840 -0.087 0.000 0.748 318 L CB -0.838 41.020 42.059 -0.335 0.000 0.891 318 L HN 0.339 nan 8.230 nan 0.000 0.431 319 A N -0.440 122.316 122.820 -0.106 0.000 1.908 319 A HA -0.108 4.206 4.320 -0.011 0.000 0.218 319 A C 2.351 179.905 177.584 -0.050 0.000 1.181 319 A CA 1.721 53.707 52.037 -0.086 0.000 0.627 319 A CB -1.671 17.271 19.000 -0.097 0.000 0.818 319 A HN 0.563 nan 8.150 nan 0.000 0.445 320 G N -0.662 108.115 108.800 -0.039 0.000 2.408 320 G HA2 -0.180 3.773 3.960 -0.011 0.000 0.217 320 G HA3 -0.180 3.773 3.960 -0.011 0.000 0.217 320 G C 1.415 176.307 174.900 -0.013 0.000 1.150 320 G CA 0.978 46.065 45.100 -0.022 0.000 0.776 320 G HN 0.663 nan 8.290 nan 0.000 0.542 321 E N 0.023 120.216 120.200 -0.012 0.000 2.077 321 E HA -0.066 4.277 4.350 -0.011 0.000 0.193 321 E C 2.522 179.121 176.600 -0.003 0.000 0.989 321 E CA 0.569 56.968 56.400 -0.002 0.000 0.800 321 E CB 0.013 29.716 29.700 0.004 0.000 0.746 321 E HN 0.115 nan 8.360 nan 0.000 0.452 322 R N 0.654 121.146 120.500 -0.012 0.000 2.297 322 R HA 0.035 4.369 4.340 -0.011 0.000 0.197 322 R C 0.401 176.703 176.300 0.004 0.000 0.943 322 R CA 0.166 56.265 56.100 -0.001 0.000 1.038 322 R CB -0.766 29.531 30.300 -0.005 0.000 0.957 322 R HN 0.157 nan 8.270 nan 0.000 0.484 323 N N 0.291 118.988 118.700 -0.004 0.000 2.740 323 N HA -0.198 4.535 4.740 -0.011 0.000 0.248 323 N C -1.085 174.426 175.510 0.001 0.000 1.062 323 N CA 0.776 53.825 53.050 -0.002 0.000 0.704 323 N CB -0.821 37.669 38.487 0.005 0.000 0.968 323 N HN 0.368 nan 8.380 nan 0.000 0.547 324 A N -0.395 122.421 122.820 -0.008 0.000 2.327 324 A HA 0.536 4.849 4.320 -0.011 0.000 0.283 324 A C 1.506 179.076 177.584 -0.023 0.000 1.127 324 A CA 0.251 52.285 52.037 -0.005 0.000 0.810 324 A CB 0.411 19.402 19.000 -0.013 0.000 1.066 324 A HN 0.685 nan 8.150 nan 0.000 0.492 325 T N -1.508 113.037 114.554 -0.014 0.000 3.081 325 T HA 0.268 4.611 4.350 -0.011 0.000 0.250 325 T C 0.558 175.224 174.700 -0.058 0.000 1.100 325 T CA 0.841 62.926 62.100 -0.025 0.000 1.038 325 T CB -0.568 68.296 68.868 -0.007 0.000 0.962 325 T HN 1.221 nan 8.240 nan 0.000 0.516 326 T N -0.989 113.503 114.554 -0.103 0.000 2.923 326 T HA 0.681 5.024 4.350 -0.011 0.000 0.311 326 T C -1.314 173.135 174.700 -0.418 0.000 1.183 326 T CA -0.742 61.197 62.100 -0.269 0.000 1.020 326 T CB 2.034 70.705 68.868 -0.329 0.000 1.165 326 T HN -0.006 nan 8.240 nan 0.000 0.482 327 V N 2.383 121.990 119.914 -0.510 0.000 2.735 327 V HA 0.624 4.737 4.120 -0.011 0.000 0.310 327 V C -1.457 174.293 176.094 -0.574 0.000 1.061 327 V CA -0.926 61.137 62.300 -0.395 0.000 0.913 327 V CB 1.692 33.424 31.823 -0.152 0.000 1.005 327 V HN 0.951 nan 8.190 nan 0.000 0.428 328 Y N 1.494 121.773 120.300 -0.036 0.000 2.468 328 Y HA 0.720 5.263 4.550 -0.011 0.000 0.342 328 Y C 0.365 176.283 175.900 0.029 0.000 1.021 328 Y CA -0.720 57.194 58.100 -0.310 0.000 1.079 328 Y CB 2.240 40.123 38.460 -0.962 0.000 1.226 328 Y HN 0.529 nan 8.280 nan 0.000 0.460 329 S N 3.090 118.921 115.700 0.220 0.000 2.672 329 S HA 0.594 5.058 4.470 -0.011 0.000 0.291 329 S C -1.098 173.846 174.600 0.573 0.000 1.145 329 S CA -0.545 57.951 58.200 0.493 0.000 1.013 329 S CB 0.280 63.818 63.200 0.564 0.000 1.017 329 S HN 0.595 nan 8.310 nan 0.000 0.487 330 I N 3.718 124.681 120.570 0.655 0.000 2.474 330 I HA 0.347 4.510 4.170 -0.011 0.000 0.287 330 I C 0.469 176.772 176.117 0.311 0.000 1.048 330 I CA -0.217 61.367 61.300 0.473 0.000 1.383 330 I CB 1.156 39.371 38.000 0.358 0.000 1.412 330 I HN 0.652 nan 8.210 nan 0.000 0.531 331 E N 5.853 126.208 120.200 0.258 0.000 2.165 331 E HA 0.719 5.062 4.350 -0.011 0.000 0.266 331 E C -1.560 175.247 176.600 0.345 0.000 0.889 331 E CA -0.602 55.969 56.400 0.285 0.000 0.756 331 E CB 1.681 31.601 29.700 0.367 0.000 1.131 331 E HN 0.732 nan 8.360 nan 0.000 0.411 332 A N 2.850 125.876 122.820 0.342 0.000 2.566 332 A HA 0.789 5.103 4.320 -0.011 0.000 0.292 332 A C -0.683 177.044 177.584 0.238 0.000 1.112 332 A CA -0.495 51.733 52.037 0.318 0.000 0.707 332 A CB 1.926 21.025 19.000 0.165 0.000 1.302 332 A HN 0.627 nan 8.150 nan 0.000 0.409 333 T N -1.432 113.198 114.554 0.128 0.000 2.864 333 T HA 0.739 5.082 4.350 -0.011 0.000 0.299 333 T C -1.201 173.511 174.700 0.020 0.000 1.166 333 T CA -0.613 61.450 62.100 -0.062 0.000 1.007 333 T CB 1.255 69.781 68.868 -0.570 0.000 1.219 333 T HN 0.699 nan 8.240 nan 0.000 0.506 334 L N 2.346 123.585 121.223 0.026 0.000 2.446 334 L HA 0.465 4.799 4.340 -0.011 0.000 0.268 334 L C -0.732 176.202 176.870 0.106 0.000 0.975 334 L CA -1.012 53.873 54.840 0.076 0.000 0.848 334 L CB 1.765 43.876 42.059 0.087 0.000 1.225 334 L HN 0.684 nan 8.230 nan 0.000 0.410 335 N N 3.224 121.950 118.700 0.044 0.000 2.529 335 N HA 0.428 5.162 4.740 -0.011 0.000 0.278 335 N C -1.029 174.541 175.510 0.099 0.000 1.146 335 N CA 0.052 53.085 53.050 -0.028 0.000 0.980 335 N CB 1.239 39.609 38.487 -0.194 0.000 1.124 335 N HN 0.433 nan 8.380 nan 0.000 0.458 336 Y N -2.076 118.164 120.300 -0.101 0.000 2.609 336 Y HA 0.475 5.019 4.550 -0.011 0.000 0.336 336 Y C -0.742 175.117 175.900 -0.068 0.000 1.129 336 Y CA -1.314 56.747 58.100 -0.065 0.000 1.040 336 Y CB 0.695 39.136 38.460 -0.032 0.000 1.310 336 Y HN 0.438 nan 8.280 nan 0.000 0.460 337 D N -0.609 119.810 120.400 0.031 0.000 2.530 337 D HA 0.239 4.873 4.640 -0.011 0.000 0.282 337 D C -0.152 176.155 176.300 0.011 0.000 1.204 337 D CA -0.578 53.390 54.000 -0.053 0.000 1.093 337 D CB 0.312 41.101 40.800 -0.019 0.000 1.154 337 D HN 0.542 nan 8.370 nan 0.000 0.593 338 N N -0.797 117.906 118.700 0.005 0.000 2.383 338 N HA 0.189 4.923 4.740 -0.011 0.000 0.192 338 N C -0.194 175.351 175.510 0.058 0.000 1.141 338 N CA 0.014 53.084 53.050 0.033 0.000 0.851 338 N CB -0.039 38.453 38.487 0.008 0.000 0.976 338 N HN 0.546 nan 8.380 nan 0.000 0.465 339 A N 0.785 123.644 122.820 0.065 0.000 2.561 339 A HA 0.060 4.373 4.320 -0.011 0.000 0.234 339 A C 1.759 179.378 177.584 0.058 0.000 1.055 339 A CA 0.375 52.444 52.037 0.053 0.000 0.756 339 A CB 0.125 19.154 19.000 0.049 0.000 0.986 339 A HN 0.408 nan 8.150 nan 0.000 0.505 340 T N -0.004 114.573 114.554 0.038 0.000 2.737 340 T HA -0.150 4.194 4.350 -0.011 0.000 0.269 340 T C 1.387 176.103 174.700 0.028 0.000 1.040 340 T CA 1.873 63.993 62.100 0.033 0.000 1.142 340 T CB -0.332 68.548 68.868 0.021 0.000 0.861 340 T HN 1.226 nan 8.240 nan 0.000 0.456 341 A N 0.411 123.244 122.820 0.022 0.000 2.308 341 A HA 0.797 5.110 4.320 -0.011 0.000 0.217 341 A C 2.510 180.091 177.584 -0.004 0.000 1.216 341 A CA 0.772 52.813 52.037 0.006 0.000 0.864 341 A CB -0.729 18.272 19.000 0.002 0.000 0.902 341 A HN 0.665 nan 8.150 nan 0.000 0.499 342 A N 0.668 123.504 122.820 0.027 0.000 1.873 342 A HA 0.024 4.337 4.320 -0.011 0.000 0.218 342 A C 2.493 179.978 177.584 -0.166 0.000 1.193 342 A CA 2.243 54.296 52.037 0.026 0.000 0.629 342 A CB -1.140 17.997 19.000 0.228 0.000 0.826 342 A HN 1.129 nan 8.150 nan 0.000 0.447 343 A N -0.403 122.326 122.820 -0.151 0.000 1.917 343 A HA 0.078 4.391 4.320 -0.011 0.000 0.219 343 A C 2.520 179.974 177.584 -0.216 0.000 1.182 343 A CA 2.530 54.396 52.037 -0.285 0.000 0.633 343 A CB -1.072 17.882 19.000 -0.078 0.000 0.819 343 A HN 1.200 nan 8.150 nan 0.000 0.448 344 A N -0.458 122.293 122.820 -0.115 0.000 1.930 344 A HA 0.238 4.552 4.320 -0.011 0.000 0.217 344 A C 2.482 180.014 177.584 -0.088 0.000 1.175 344 A CA 1.870 53.858 52.037 -0.082 0.000 0.627 344 A CB -0.918 18.055 19.000 -0.045 0.000 0.815 344 A HN 1.049 nan 8.150 nan 0.000 0.443 345 A N -0.433 122.331 122.820 -0.094 0.000 1.902 345 A HA -0.003 4.310 4.320 -0.011 0.000 0.217 345 A C 2.200 179.724 177.584 -0.100 0.000 1.181 345 A CA 1.755 53.748 52.037 -0.074 0.000 0.623 345 A CB -0.914 18.053 19.000 -0.054 0.000 0.818 345 A HN 0.378 nan 8.150 nan 0.000 0.443 346 V N 0.793 120.593 119.914 -0.188 0.000 2.343 346 V HA -0.256 3.858 4.120 -0.011 0.000 0.247 346 V C 2.138 178.156 176.094 -0.127 0.000 1.051 346 V CA 2.249 64.424 62.300 -0.208 0.000 1.036 346 V CB -0.814 30.726 31.823 -0.472 0.000 0.654 346 V HN 0.518 nan 8.190 nan 0.000 0.451 347 D N -0.364 119.962 120.400 -0.123 0.000 2.123 347 D HA -0.195 4.438 4.640 -0.011 0.000 0.196 347 D C 2.316 178.594 176.300 -0.037 0.000 0.992 347 D CA 1.359 55.318 54.000 -0.068 0.000 0.833 347 D CB -0.146 40.618 40.800 -0.060 0.000 0.954 347 D HN 0.542 nan 8.370 nan 0.000 0.455 348 Q N 0.087 119.864 119.800 -0.038 0.000 2.083 348 Q HA -0.147 4.186 4.340 -0.011 0.000 0.198 348 Q C 2.062 178.057 176.000 -0.008 0.000 0.969 348 Q CA 0.964 56.755 55.803 -0.019 0.000 0.838 348 Q CB 0.013 28.740 28.738 -0.019 0.000 0.900 348 Q HN 0.127 nan 8.270 nan 0.000 0.436 349 E N 1.051 121.243 120.200 -0.014 0.000 2.058 349 E HA -0.207 4.136 4.350 -0.011 0.000 0.194 349 E C 1.751 178.362 176.600 0.017 0.000 0.997 349 E CA 0.856 57.258 56.400 0.003 0.000 0.801 349 E CB -0.267 29.433 29.700 -0.001 0.000 0.746 349 E HN 0.196 nan 8.360 nan 0.000 0.450 350 L N 0.299 121.529 121.223 0.011 0.000 2.046 350 L HA -0.045 4.288 4.340 -0.011 0.000 0.208 350 L C 2.220 179.116 176.870 0.043 0.000 1.077 350 L CA 2.271 57.130 54.840 0.031 0.000 0.747 350 L CB -1.094 40.979 42.059 0.022 0.000 0.896 350 L HN 0.213 nan 8.230 nan 0.000 0.432 351 A N -1.542 121.295 122.820 0.029 0.000 1.908 351 A HA -0.212 4.101 4.320 -0.011 0.000 0.218 351 A C 2.380 179.991 177.584 0.045 0.000 1.181 351 A CA 2.123 54.182 52.037 0.037 0.000 0.627 351 A CB -0.944 18.068 19.000 0.019 0.000 0.818 351 A HN 0.547 nan 8.150 nan 0.000 0.445 352 S N -0.421 115.300 115.700 0.035 0.000 2.348 352 S HA -0.129 4.334 4.470 -0.011 0.000 0.221 352 S C 1.942 176.573 174.600 0.051 0.000 1.033 352 S CA 1.440 59.662 58.200 0.036 0.000 1.010 352 S CB -0.652 62.564 63.200 0.027 0.000 0.891 352 S HN 0.354 nan 8.310 nan 0.000 0.442 353 V N 2.683 122.632 119.914 0.058 0.000 2.252 353 V HA -0.201 3.913 4.120 -0.011 0.000 0.249 353 V C 2.247 178.405 176.094 0.107 0.000 1.056 353 V CA 1.671 64.015 62.300 0.073 0.000 1.022 353 V CB -0.922 30.945 31.823 0.073 0.000 0.641 353 V HN 0.424 nan 8.190 nan 0.000 0.445 354 L N 0.551 121.854 121.223 0.132 0.000 2.127 354 L HA -0.131 4.202 4.340 -0.011 0.000 0.211 354 L C 2.574 179.560 176.870 0.193 0.000 1.089 354 L CA 1.649 56.628 54.840 0.232 0.000 0.757 354 L CB -1.175 41.029 42.059 0.241 0.000 0.899 354 L HN 0.521 nan 8.230 nan 0.000 0.434 355 G N -0.545 108.318 108.800 0.105 0.000 2.498 355 G HA2 -0.229 3.724 3.960 -0.011 0.000 0.219 355 G HA3 -0.229 3.724 3.960 -0.011 0.000 0.219 355 G C 1.562 176.484 174.900 0.036 0.000 1.119 355 G CA 1.154 46.285 45.100 0.051 0.000 0.766 355 G HN 0.485 nan 8.290 nan 0.000 0.552 356 T N -1.496 113.093 114.554 0.059 0.000 3.081 356 T HA 0.422 4.766 4.350 -0.011 0.000 0.250 356 T C 0.978 175.714 174.700 0.060 0.000 1.100 356 T CA -0.289 61.839 62.100 0.047 0.000 1.038 356 T CB -0.015 68.881 68.868 0.047 0.000 0.962 356 T HN 0.088 nan 8.240 nan 0.000 0.516 357 L N 0.499 121.778 121.223 0.095 0.000 2.416 357 L HA 0.540 4.873 4.340 -0.011 0.000 0.263 357 L C 0.631 177.511 176.870 0.017 0.000 1.065 357 L CA -0.950 53.975 54.840 0.142 0.000 0.798 357 L CB 1.191 43.464 42.059 0.357 0.000 1.267 357 L HN -0.012 nan 8.230 nan 0.000 0.467 358 S N -1.308 114.454 115.700 0.105 0.000 2.809 358 S HA 0.219 4.682 4.470 -0.011 0.000 0.248 358 S C -0.441 174.150 174.600 -0.015 0.000 1.071 358 S CA -0.593 57.611 58.200 0.007 0.000 1.059 358 S CB -0.203 63.057 63.200 0.100 0.000 0.923 358 S HN 0.441 nan 8.310 nan 0.000 0.516 359 Y N -0.169 120.063 120.300 -0.114 0.000 2.385 359 Y HA 0.542 5.086 4.550 -0.011 0.000 0.346 359 Y C 0.358 176.108 175.900 -0.249 0.000 1.270 359 Y CA -1.308 56.380 58.100 -0.687 0.000 1.472 359 Y CB -0.238 37.812 38.460 -0.685 0.000 1.354 359 Y HN -0.118 nan 8.280 nan 0.000 0.611 360 V N 2.003 121.876 119.914 -0.069 0.000 2.557 360 V HA -0.106 4.008 4.120 -0.011 0.000 0.301 360 V C 0.616 176.844 176.094 0.224 0.000 1.026 360 V CA -0.235 62.090 62.300 0.042 0.000 1.137 360 V CB -0.046 31.733 31.823 -0.073 0.000 0.917 360 V HN 0.873 nan 8.190 nan 0.000 0.484 361 E N 3.873 124.122 120.200 0.082 0.000 2.652 361 E HA 0.123 4.467 4.350 -0.011 0.000 0.255 361 E C 1.298 178.007 176.600 0.181 0.000 0.952 361 E CA 0.873 57.310 56.400 0.062 0.000 0.947 361 E CB -0.066 29.643 29.700 0.015 0.000 0.912 361 E HN 1.078 nan 8.360 nan 0.000 0.489 362 G N 4.059 112.924 108.800 0.108 0.000 2.179 362 G HA2 -0.296 3.658 3.960 -0.011 0.000 0.260 362 G HA3 -0.296 3.658 3.960 -0.011 0.000 0.260 362 G C 0.162 174.858 174.900 -0.340 0.000 0.977 362 G CA 0.168 45.209 45.100 -0.098 0.000 0.641 362 G HN 0.555 nan 8.290 nan 0.000 0.533 363 F N 1.872 121.831 119.950 0.015 0.000 2.899 363 F HA 0.673 5.194 4.527 -0.011 0.000 0.308 363 F C 0.930 176.539 175.800 -0.318 0.000 1.221 363 F CA 0.040 57.965 58.000 -0.126 0.000 1.265 363 F CB 0.794 39.896 39.000 0.170 0.000 1.253 363 F HN 0.399 nan 8.300 nan 0.000 0.534 364 A N 0.766 123.270 122.820 -0.526 0.000 2.318 364 A HA 0.782 5.096 4.320 -0.011 0.000 0.317 364 A C -1.183 176.069 177.584 -0.553 0.000 1.159 364 A CA -0.341 51.416 52.037 -0.467 0.000 0.799 364 A CB 0.448 19.212 19.000 -0.392 0.000 1.194 364 A HN 0.271 nan 8.150 nan 0.000 0.479 365 F N 0.965 120.981 119.950 0.111 0.000 2.507 365 F HA 0.505 5.026 4.527 -0.011 0.000 0.325 365 F C 0.483 176.399 175.800 0.193 0.000 1.116 365 F CA -0.247 57.864 58.000 0.185 0.000 0.930 365 F CB 2.217 41.453 39.000 0.394 0.000 1.146 365 F HN 0.565 nan 8.300 nan 0.000 0.447 366 Q N 3.360 123.283 119.800 0.205 0.000 2.345 366 Q HA 0.707 5.040 4.340 -0.011 0.000 0.268 366 Q C -0.707 175.278 176.000 -0.025 0.000 1.054 366 Q CA -1.180 54.706 55.803 0.139 0.000 0.835 366 Q CB 3.182 31.970 28.738 0.083 0.000 1.339 366 Q HN 0.607 nan 8.270 nan 0.000 0.447 367 R N 0.761 121.260 120.500 -0.002 0.000 2.774 367 R HA 0.446 4.780 4.340 -0.011 0.000 0.272 367 R C -1.652 174.729 176.300 0.135 0.000 1.000 367 R CA -0.823 55.217 56.100 -0.101 0.000 0.906 367 R CB 2.041 32.069 30.300 -0.453 0.000 1.227 367 R HN 0.632 nan 8.270 nan 0.000 0.468 368 D N 1.195 121.673 120.400 0.130 0.000 2.686 368 D HA 0.419 5.053 4.640 -0.011 0.000 0.249 368 D C -1.156 175.255 176.300 0.185 0.000 1.260 368 D CA -0.504 53.614 54.000 0.196 0.000 0.910 368 D CB 1.641 42.541 40.800 0.167 0.000 1.323 368 D HN 0.354 nan 8.370 nan 0.000 0.561 369 V N 0.524 120.567 119.914 0.214 0.000 3.160 369 V HA 0.964 5.078 4.120 -0.011 0.000 0.310 369 V C -0.219 175.931 176.094 0.093 0.000 1.181 369 V CA -1.099 61.305 62.300 0.172 0.000 1.047 369 V CB 1.224 33.214 31.823 0.279 0.000 1.068 369 V HN 0.639 nan 8.190 nan 0.000 0.441 370 A N 0.399 123.259 122.820 0.068 0.000 2.462 370 A HA 0.454 4.768 4.320 -0.011 0.000 0.243 370 A C 0.525 178.150 177.584 0.068 0.000 1.076 370 A CA 0.186 52.243 52.037 0.034 0.000 0.773 370 A CB -0.288 18.726 19.000 0.024 0.000 1.010 370 A HN 1.379 nan 8.150 nan 0.000 0.493 371 Y N 2.626 122.866 120.300 -0.099 0.000 2.081 371 Y HA -0.269 4.275 4.550 -0.011 0.000 0.280 371 Y C 2.418 178.263 175.900 -0.091 0.000 1.163 371 Y CA 2.487 60.529 58.100 -0.098 0.000 1.135 371 Y CB -0.776 37.619 38.460 -0.108 0.000 0.970 371 Y HN 0.692 nan 8.280 nan 0.000 0.498 372 A N 0.240 122.961 122.820 -0.166 0.000 1.940 372 A HA -0.111 4.202 4.320 -0.011 0.000 0.219 372 A C 2.483 179.916 177.584 -0.251 0.000 1.176 372 A CA 2.102 53.958 52.037 -0.302 0.000 0.631 372 A CB -1.483 17.419 19.000 -0.163 0.000 0.814 372 A HN 0.620 nan 8.150 nan 0.000 0.446 373 A N -1.055 121.696 122.820 -0.115 0.000 1.902 373 A HA -0.029 4.285 4.320 -0.011 0.000 0.217 373 A C 2.043 179.556 177.584 -0.118 0.000 1.181 373 A CA 1.618 53.618 52.037 -0.062 0.000 0.623 373 A CB -0.709 18.312 19.000 0.035 0.000 0.818 373 A HN 0.756 nan 8.150 nan 0.000 0.443 374 F N 0.714 120.484 119.950 -0.300 0.000 2.102 374 F HA -0.127 4.394 4.527 -0.010 0.000 0.298 374 F C 1.868 177.324 175.800 -0.573 0.000 1.105 374 F CA 1.713 59.379 58.000 -0.558 0.000 1.239 374 F CB -0.394 38.200 39.000 -0.677 0.000 0.991 374 F HN 0.130 nan 8.300 nan 0.000 0.474 375 L N -0.045 120.736 121.223 -0.736 0.000 2.079 375 L HA -0.219 4.114 4.340 -0.011 0.000 0.210 375 L C 1.374 177.841 176.870 -0.672 0.000 1.081 375 L CA 1.859 56.158 54.840 -0.901 0.000 0.752 375 L CB -0.677 40.734 42.059 -1.080 0.000 0.896 375 L HN 0.164 nan 8.230 nan 0.000 0.433 376 D N -0.596 119.528 120.400 -0.461 0.000 2.358 376 D HA -0.021 4.612 4.640 -0.011 0.000 0.224 376 D C 1.937 178.163 176.300 -0.125 0.000 1.123 376 D CA -0.103 53.750 54.000 -0.245 0.000 0.833 376 D CB 0.268 40.969 40.800 -0.165 0.000 0.946 376 D HN 0.190 nan 8.370 nan 0.000 0.505 377 R N -0.629 119.731 120.500 -0.233 0.000 2.117 377 R HA -0.135 4.199 4.340 -0.011 0.000 0.243 377 R C 1.398 177.713 176.300 0.026 0.000 1.143 377 R CA 1.429 57.479 56.100 -0.083 0.000 0.968 377 R CB -0.906 29.302 30.300 -0.153 0.000 0.863 377 R HN 0.089 nan 8.270 nan 0.000 0.444 378 V N 1.208 121.147 119.914 0.040 0.000 2.809 378 V HA -0.177 3.936 4.120 -0.011 0.000 0.256 378 V C 2.282 178.477 176.094 0.169 0.000 1.080 378 V CA 1.949 64.340 62.300 0.152 0.000 1.102 378 V CB -0.867 31.113 31.823 0.263 0.000 0.705 378 V HN 0.469 nan 8.190 nan 0.000 0.475 379 H N 1.310 120.412 119.070 0.054 0.000 2.421 379 H HA -0.056 4.493 4.556 -0.011 0.000 0.298 379 H C 2.199 177.463 175.328 -0.107 0.000 1.087 379 H CA 1.664 57.683 56.048 -0.048 0.000 1.330 379 H CB -0.390 29.321 29.762 -0.086 0.000 1.388 379 H HN 0.341 nan 8.280 nan 0.000 0.526 380 G N -0.149 108.584 108.800 -0.112 0.000 2.408 380 G HA2 -0.239 3.715 3.960 -0.011 0.000 0.217 380 G HA3 -0.239 3.715 3.960 -0.011 0.000 0.217 380 G C 1.668 176.480 174.900 -0.147 0.000 1.150 380 G CA 0.602 45.612 45.100 -0.149 0.000 0.776 380 G HN 0.530 nan 8.290 nan 0.000 0.542 381 E N 0.084 120.240 120.200 -0.074 0.000 2.106 381 E HA -0.126 4.217 4.350 -0.011 0.000 0.192 381 E C 2.243 178.761 176.600 -0.137 0.000 0.984 381 E CA 0.941 57.327 56.400 -0.024 0.000 0.806 381 E CB -0.082 29.667 29.700 0.082 0.000 0.750 381 E HN 0.644 nan 8.360 nan 0.000 0.458 382 E N 0.009 119.976 120.200 -0.387 0.000 2.031 382 E HA -0.180 4.163 4.350 -0.011 0.000 0.193 382 E C 2.119 178.353 176.600 -0.610 0.000 0.994 382 E CA 1.405 57.264 56.400 -0.903 0.000 0.800 382 E CB 0.094 29.061 29.700 -1.222 0.000 0.752 382 E HN 0.101 nan 8.360 nan 0.000 0.447 383 V N 1.491 121.087 119.914 -0.529 0.000 2.282 383 V HA -0.333 3.781 4.120 -0.011 0.000 0.249 383 V C 2.515 178.499 176.094 -0.183 0.000 1.057 383 V CA 2.090 64.173 62.300 -0.361 0.000 1.032 383 V CB -0.925 30.686 31.823 -0.353 0.000 0.645 383 V HN 0.485 nan 8.190 nan 0.000 0.447 384 A N -0.520 122.221 122.820 -0.131 0.000 1.873 384 A HA -0.135 4.178 4.320 -0.011 0.000 0.215 384 A C 2.214 179.807 177.584 0.014 0.000 1.186 384 A CA 1.801 53.814 52.037 -0.040 0.000 0.616 384 A CB -0.536 18.457 19.000 -0.012 0.000 0.823 384 A HN 0.496 nan 8.150 nan 0.000 0.442 385 L N -0.516 120.736 121.223 0.048 0.000 2.046 385 L HA -0.202 4.132 4.340 -0.011 0.000 0.208 385 L C 2.525 179.503 176.870 0.180 0.000 1.077 385 L CA 1.647 56.588 54.840 0.169 0.000 0.747 385 L CB -0.576 41.694 42.059 0.351 0.000 0.896 385 L HN 0.506 nan 8.230 nan 0.000 0.432 386 N N 0.436 119.206 118.700 0.117 0.000 2.166 386 N HA -0.229 4.505 4.740 -0.011 0.000 0.186 386 N C 1.759 177.318 175.510 0.083 0.000 1.019 386 N CA 1.217 54.350 53.050 0.137 0.000 0.856 386 N CB 0.028 38.525 38.487 0.016 0.000 0.993 386 N HN -0.017 nan 8.380 nan 0.000 0.426 387 K N 0.256 120.677 120.400 0.034 0.000 2.152 387 K HA 0.055 4.369 4.320 -0.011 0.000 0.206 387 K C 1.445 178.073 176.600 0.046 0.000 1.048 387 K CA 1.039 57.343 56.287 0.028 0.000 0.933 387 K CB -0.224 32.281 32.500 0.008 0.000 0.721 387 K HN 0.277 nan 8.250 nan 0.000 0.447 388 L N -0.888 120.373 121.223 0.062 0.000 2.599 388 L HA 0.178 4.512 4.340 -0.011 0.000 0.230 388 L C 0.909 177.824 176.870 0.075 0.000 1.141 388 L CA 0.346 55.225 54.840 0.065 0.000 0.877 388 L CB -0.172 41.931 42.059 0.073 0.000 1.009 388 L HN 0.472 nan 8.230 nan 0.000 0.447 389 G N 0.723 109.579 108.800 0.093 0.000 2.221 389 G HA2 -0.281 3.673 3.960 -0.011 0.000 0.265 389 G HA3 -0.281 3.673 3.960 -0.011 0.000 0.265 389 G C 0.435 175.398 174.900 0.106 0.000 1.041 389 G CA 0.213 45.370 45.100 0.095 0.000 0.807 389 G HN 0.375 nan 8.290 nan 0.000 0.502 390 L N -1.556 119.763 121.223 0.159 0.000 2.959 390 L HA 0.327 4.661 4.340 -0.011 0.000 0.259 390 L C 1.888 178.926 176.870 0.279 0.000 1.185 390 L CA -0.576 54.364 54.840 0.167 0.000 0.998 390 L CB -0.007 42.148 42.059 0.159 0.000 1.337 390 L HN 0.528 nan 8.230 nan 0.000 0.555 391 W N 1.276 122.639 121.300 0.104 0.000 2.780 391 W HA 0.093 4.745 4.660 -0.013 0.000 0.272 391 W C 0.673 177.285 176.519 0.155 0.000 1.116 391 W CA -0.074 57.380 57.345 0.182 0.000 1.600 391 W CB 0.497 30.054 29.460 0.161 0.000 1.086 391 W HN -0.064 nan 8.180 nan 0.000 0.584 392 R N 2.023 122.613 120.500 0.151 0.000 4.164 392 R HA 0.114 4.448 4.340 -0.011 0.000 0.195 392 R C -0.201 176.001 176.300 -0.162 0.000 1.712 392 R CA -0.051 56.028 56.100 -0.034 0.000 1.457 392 R CB -0.143 30.208 30.300 0.086 0.000 1.387 392 R HN -0.097 nan 8.270 nan 0.000 0.785 393 V N -2.120 117.562 119.914 -0.387 0.000 3.160 393 V HA 0.653 4.766 4.120 -0.011 0.000 0.310 393 V C -2.794 172.807 176.094 -0.821 0.000 1.181 393 V CA -3.522 58.509 62.300 -0.449 0.000 1.047 393 V CB 2.355 33.983 31.823 -0.325 0.000 1.068 393 V HN 0.100 nan 8.190 nan 0.000 0.441 394 P HA 0.296 nan 4.420 nan 0.000 0.268 394 P C -1.135 175.709 177.300 -0.759 0.000 1.204 394 P CA 0.553 63.322 63.100 -0.551 0.000 0.768 394 P CB -0.109 31.418 31.700 -0.288 0.000 0.842 395 H N 3.448 122.245 119.070 -0.454 0.000 2.530 395 H HA 0.217 4.766 4.556 -0.012 0.000 0.246 395 H C -1.896 173.282 175.328 -0.249 0.000 1.346 395 H CA -1.813 53.941 56.048 -0.490 0.000 1.424 395 H CB 0.468 29.494 29.762 -1.227 0.000 1.445 395 H HN 0.311 nan 8.280 nan 0.000 0.511 396 P HA -0.044 nan 4.420 nan 0.000 0.226 396 P C -0.607 176.959 177.300 0.443 0.000 1.783 396 P CA -0.330 62.873 63.100 0.172 0.000 0.980 396 P CB -0.175 31.579 31.700 0.090 0.000 1.967 397 W N 1.533 122.934 121.300 0.169 0.000 2.210 397 W HA 0.219 4.873 4.660 -0.009 0.000 0.330 397 W C 0.423 177.016 176.519 0.122 0.000 1.334 397 W CA -0.326 57.114 57.345 0.158 0.000 1.227 397 W CB -0.058 29.468 29.460 0.109 0.000 1.178 397 W HN 0.097 nan 8.180 nan 0.000 0.560 398 L N 5.753 127.161 121.223 0.307 0.000 2.298 398 L HA 0.432 4.766 4.340 -0.011 0.000 0.284 398 L C -0.708 176.212 176.870 0.083 0.000 1.013 398 L CA -0.308 54.644 54.840 0.187 0.000 0.824 398 L CB 0.262 42.467 42.059 0.244 0.000 1.221 398 L HN 0.271 nan 8.230 nan 0.000 0.418 399 N N 7.442 126.170 118.700 0.047 0.000 2.346 399 N HA 0.726 5.460 4.740 -0.011 0.000 0.289 399 N C -1.044 174.420 175.510 -0.076 0.000 1.027 399 N CA -0.394 52.654 53.050 -0.003 0.000 0.864 399 N CB 2.206 40.722 38.487 0.049 0.000 1.370 399 N HN 0.715 nan 8.380 nan 0.000 0.481 400 M N -0.979 118.530 119.600 -0.153 0.000 2.682 400 M HA 0.569 5.042 4.480 -0.011 0.000 0.272 400 M C -1.928 174.244 176.300 -0.213 0.000 1.232 400 M CA -0.800 54.379 55.300 -0.201 0.000 0.849 400 M CB 1.852 34.380 32.600 -0.121 0.000 1.695 400 M HN -0.010 nan 8.290 nan 0.000 0.481 401 F N 1.447 121.403 119.950 0.010 0.000 2.411 401 F HA 0.662 5.182 4.527 -0.011 0.000 0.352 401 F C -0.409 175.386 175.800 -0.008 0.000 1.123 401 F CA -1.026 56.954 58.000 -0.033 0.000 1.044 401 F CB 1.892 40.715 39.000 -0.295 0.000 1.135 401 F HN 0.308 nan 8.300 nan 0.000 0.461 402 V N 6.038 126.093 119.914 0.234 0.000 2.384 402 V HA 0.385 4.498 4.120 -0.011 0.000 0.287 402 V C -2.062 174.174 176.094 0.236 0.000 1.020 402 V CA -2.180 60.210 62.300 0.150 0.000 0.850 402 V CB 1.617 33.404 31.823 -0.059 0.000 0.987 402 V HN 0.485 nan 8.190 nan 0.000 0.436 403 P HA 0.020 nan 4.420 nan 0.000 0.265 403 P C 0.687 178.121 177.300 0.223 0.000 1.193 403 P CA 0.005 63.222 63.100 0.194 0.000 0.765 403 P CB 0.964 32.725 31.700 0.101 0.000 0.823 404 R N 3.289 123.952 120.500 0.272 0.000 2.119 404 R HA -0.182 4.152 4.340 -0.011 0.000 0.246 404 R C 2.017 178.417 176.300 0.168 0.000 1.146 404 R CA 2.585 58.861 56.100 0.295 0.000 0.962 404 R CB -0.770 29.680 30.300 0.250 0.000 0.863 404 R HN 0.614 nan 8.270 nan 0.000 0.442 405 S N -0.218 115.557 115.700 0.125 0.000 2.465 405 S HA -0.066 4.397 4.470 -0.011 0.000 0.241 405 S C 1.380 176.031 174.600 0.085 0.000 1.000 405 S CA 0.766 59.020 58.200 0.090 0.000 0.964 405 S CB 0.002 63.242 63.200 0.067 0.000 0.763 405 S HN 0.323 nan 8.310 nan 0.000 0.512 406 R N -0.501 120.056 120.500 0.096 0.000 2.508 406 R HA 0.436 4.770 4.340 -0.011 0.000 0.300 406 R C 1.257 177.625 176.300 0.114 0.000 0.970 406 R CA -0.169 55.989 56.100 0.097 0.000 1.102 406 R CB -0.889 29.468 30.300 0.095 0.000 1.246 406 R HN 0.431 nan 8.270 nan 0.000 0.539 407 I N 1.539 122.153 120.570 0.072 0.000 2.286 407 I HA -0.155 4.009 4.170 -0.011 0.000 0.248 407 I C 1.954 178.122 176.117 0.084 0.000 1.115 407 I CA 1.324 62.627 61.300 0.004 0.000 1.392 407 I CB -0.094 37.713 38.000 -0.322 0.000 1.065 407 I HN 0.157 nan 8.210 nan 0.000 0.418 408 A N -0.331 122.583 122.820 0.157 0.000 1.930 408 A HA -0.197 4.116 4.320 -0.011 0.000 0.217 408 A C 2.016 179.608 177.584 0.013 0.000 1.175 408 A CA 1.944 54.060 52.037 0.133 0.000 0.627 408 A CB -0.770 18.349 19.000 0.199 0.000 0.815 408 A HN 0.448 nan 8.150 nan 0.000 0.443 409 D N -1.213 119.234 120.400 0.079 0.000 2.144 409 D HA -0.105 4.529 4.640 -0.011 0.000 0.200 409 D C 1.581 177.964 176.300 0.138 0.000 0.978 409 D CA 0.959 55.024 54.000 0.108 0.000 0.833 409 D CB -0.372 40.500 40.800 0.120 0.000 0.961 409 D HN 0.490 nan 8.370 nan 0.000 0.470 410 F N 1.489 121.427 119.950 -0.020 0.000 2.134 410 F HA -0.196 4.324 4.527 -0.011 0.000 0.299 410 F C 2.020 177.573 175.800 -0.412 0.000 1.097 410 F CA 1.562 59.499 58.000 -0.105 0.000 1.264 410 F CB 0.014 38.921 39.000 -0.155 0.000 1.001 410 F HN -0.160 nan 8.300 nan 0.000 0.479 411 D N -0.304 119.951 120.400 -0.241 0.000 2.097 411 D HA -0.194 4.440 4.640 -0.011 0.000 0.195 411 D C 2.274 178.402 176.300 -0.287 0.000 0.989 411 D CA 1.646 55.420 54.000 -0.378 0.000 0.827 411 D CB -0.081 40.097 40.800 -1.037 0.000 0.966 411 D HN 0.228 nan 8.370 nan 0.000 0.456 412 R N -0.489 119.872 120.500 -0.231 0.000 2.073 412 R HA 0.011 4.344 4.340 -0.011 0.000 0.234 412 R C 2.553 178.676 176.300 -0.294 0.000 1.134 412 R CA 1.367 57.368 56.100 -0.165 0.000 0.952 412 R CB -0.586 29.673 30.300 -0.069 0.000 0.850 412 R HN 0.266 nan 8.270 nan 0.000 0.433 413 G N -0.316 108.196 108.800 -0.480 0.000 2.464 413 G HA2 -0.077 3.877 3.960 -0.011 0.000 0.217 413 G HA3 -0.077 3.877 3.960 -0.011 0.000 0.217 413 G C 1.250 175.489 174.900 -1.102 0.000 1.138 413 G CA 0.479 44.968 45.100 -1.018 0.000 0.793 413 G HN 0.129 nan 8.290 nan 0.000 0.539 414 V N -0.430 118.881 119.914 -1.005 0.000 2.870 414 V HA 0.226 4.339 4.120 -0.011 0.000 0.232 414 V C 2.168 177.995 176.094 -0.444 0.000 1.161 414 V CA 0.360 62.131 62.300 -0.882 0.000 1.204 414 V CB -0.726 30.271 31.823 -1.376 0.000 1.003 414 V HN 0.162 nan 8.190 nan 0.000 0.499 415 F N 1.423 121.239 119.950 -0.224 0.000 2.134 415 F HA -0.018 4.502 4.527 -0.011 0.000 0.299 415 F C 2.186 177.925 175.800 -0.101 0.000 1.097 415 F CA 1.238 59.181 58.000 -0.095 0.000 1.264 415 F CB -0.649 38.348 39.000 -0.004 0.000 1.001 415 F HN 0.101 nan 8.300 nan 0.000 0.479 416 K N -0.743 119.682 120.400 0.041 0.000 2.393 416 K HA 0.216 4.529 4.320 -0.011 0.000 0.193 416 K C 1.673 178.225 176.600 -0.080 0.000 1.026 416 K CA 0.483 56.769 56.287 -0.003 0.000 1.064 416 K CB 0.182 32.687 32.500 0.007 0.000 0.833 416 K HN 0.326 nan 8.250 nan 0.000 0.521 417 G N 0.937 109.636 108.800 -0.168 0.000 2.560 417 G HA2 0.052 4.006 3.960 -0.011 0.000 0.212 417 G HA3 0.052 4.006 3.960 -0.011 0.000 0.212 417 G C 1.139 175.924 174.900 -0.193 0.000 2.038 417 G CA -0.368 44.609 45.100 -0.206 0.000 0.728 417 G HN -0.038 nan 8.290 nan 0.000 0.784 418 I N 0.642 121.045 120.570 -0.279 0.000 2.143 418 I HA -0.205 3.959 4.170 -0.011 0.000 0.245 418 I C 2.588 178.626 176.117 -0.131 0.000 1.068 418 I CA 0.988 62.156 61.300 -0.219 0.000 1.326 418 I CB -0.194 37.633 38.000 -0.288 0.000 1.028 418 I HN 0.068 nan 8.210 nan 0.000 0.412 419 L N 0.048 121.216 121.223 -0.092 0.000 2.291 419 L HA -0.053 4.280 4.340 -0.011 0.000 0.214 419 L C 1.199 178.071 176.870 0.004 0.000 1.120 419 L CA 1.242 56.084 54.840 0.004 0.000 0.799 419 L CB -0.897 41.231 42.059 0.115 0.000 0.925 419 L HN 0.248 nan 8.230 nan 0.000 0.446 420 Q N -0.143 119.644 119.800 -0.023 0.000 2.337 420 Q HA 0.321 4.655 4.340 -0.011 0.000 0.270 420 Q C 1.295 177.281 176.000 -0.023 0.000 1.002 420 Q CA 0.963 56.755 55.803 -0.018 0.000 0.888 420 Q CB 0.419 29.140 28.738 -0.028 0.000 1.222 420 Q HN 0.427 nan 8.270 nan 0.000 0.400 421 G N 1.964 110.756 108.800 -0.013 0.000 2.194 421 G HA2 -0.270 3.683 3.960 -0.011 0.000 0.236 421 G HA3 -0.270 3.683 3.960 -0.011 0.000 0.236 421 G C 0.354 175.246 174.900 -0.013 0.000 0.987 421 G CA 0.394 45.484 45.100 -0.016 0.000 0.635 421 G HN 0.782 nan 8.290 nan 0.000 0.520 422 T N -1.286 113.264 114.554 -0.006 0.000 2.944 422 T HA 0.613 4.956 4.350 -0.011 0.000 0.284 422 T C -0.913 173.800 174.700 0.022 0.000 1.010 422 T CA -0.365 61.733 62.100 -0.003 0.000 1.025 422 T CB 2.319 71.177 68.868 -0.015 0.000 1.079 422 T HN -0.038 nan 8.240 nan 0.000 0.516 423 D N 1.854 122.269 120.400 0.024 0.000 2.396 423 D HA 0.365 4.998 4.640 -0.011 0.000 0.225 423 D C -0.048 176.299 176.300 0.078 0.000 1.121 423 D CA -0.173 53.853 54.000 0.044 0.000 0.853 423 D CB 0.608 41.428 40.800 0.032 0.000 1.043 423 D HN 0.521 nan 8.370 nan 0.000 0.500 424 I N 1.827 122.461 120.570 0.108 0.000 2.395 424 I HA 0.157 4.320 4.170 -0.011 0.000 0.289 424 I C 0.010 176.218 176.117 0.152 0.000 1.023 424 I CA -0.573 60.830 61.300 0.172 0.000 1.350 424 I CB 1.251 39.359 38.000 0.181 0.000 1.409 424 I HN -0.081 nan 8.210 nan 0.000 0.507 425 V N 5.523 125.551 119.914 0.190 0.000 2.443 425 V HA 0.869 4.982 4.120 -0.011 0.000 0.293 425 V C 0.210 176.411 176.094 0.177 0.000 1.021 425 V CA -0.409 61.988 62.300 0.162 0.000 0.848 425 V CB 1.111 33.022 31.823 0.147 0.000 0.998 425 V HN 1.086 nan 8.190 nan 0.000 0.424 426 G N 6.099 114.975 108.800 0.126 0.000 2.525 426 G HA2 0.082 4.035 3.960 -0.011 0.000 0.685 426 G HA3 0.082 4.035 3.960 -0.011 0.000 0.685 426 G C -3.257 171.616 174.900 -0.045 0.000 1.285 426 G CA -0.815 44.330 45.100 0.076 0.000 0.849 426 G HN 0.613 nan 8.290 nan 0.000 0.653 427 P HA 0.507 nan 4.420 nan 0.000 0.278 427 P C -0.255 176.884 177.300 -0.270 0.000 1.238 427 P CA -0.371 62.635 63.100 -0.157 0.000 0.794 427 P CB 1.075 32.718 31.700 -0.095 0.000 0.955 428 L N 3.683 124.738 121.223 -0.280 0.000 2.301 428 L HA 0.474 4.808 4.340 -0.011 0.000 0.278 428 L C 0.309 177.063 176.870 -0.194 0.000 1.022 428 L CA -0.615 54.071 54.840 -0.257 0.000 0.854 428 L CB 0.663 42.564 42.059 -0.263 0.000 1.226 428 L HN 0.239 nan 8.230 nan 0.000 0.429 429 I N 3.679 124.194 120.570 -0.091 0.000 2.392 429 I HA 0.522 4.686 4.170 -0.011 0.000 0.295 429 I C -0.399 175.797 176.117 0.132 0.000 0.985 429 I CA -0.799 60.530 61.300 0.048 0.000 1.221 429 I CB 2.034 40.097 38.000 0.104 0.000 1.366 429 I HN 0.195 nan 8.210 nan 0.000 0.467 430 V N 7.023 127.096 119.914 0.265 0.000 2.711 430 V HA 0.520 4.634 4.120 -0.011 0.000 0.304 430 V C -1.348 175.029 176.094 0.473 0.000 1.097 430 V CA -0.668 61.829 62.300 0.329 0.000 0.906 430 V CB 1.725 33.813 31.823 0.441 0.000 1.015 430 V HN 0.713 nan 8.190 nan 0.000 0.427 431 Y N 3.891 124.362 120.300 0.284 0.000 2.573 431 Y HA 0.777 5.320 4.550 -0.011 0.000 0.328 431 Y C -3.277 172.451 175.900 -0.287 0.000 1.170 431 Y CA -2.443 55.674 58.100 0.029 0.000 1.078 431 Y CB 1.728 40.144 38.460 -0.075 0.000 1.341 431 Y HN 0.433 nan 8.280 nan 0.000 0.459 432 P HA 0.415 nan 4.420 nan 0.000 0.277 432 P C -1.055 175.985 177.300 -0.433 0.000 1.240 432 P CA -0.068 62.474 63.100 -0.929 0.000 0.798 432 P CB 2.211 33.309 31.700 -1.003 0.000 0.979 433 L N 2.055 122.932 121.223 -0.576 0.000 2.371 433 L HA 0.451 4.784 4.340 -0.011 0.000 0.262 433 L C 0.173 176.688 176.870 -0.592 0.000 1.006 433 L CA -0.869 53.673 54.840 -0.496 0.000 0.818 433 L CB 2.082 43.719 42.059 -0.703 0.000 1.354 433 L HN 0.249 nan 8.230 nan 0.000 0.415 434 N N 1.741 120.283 118.700 -0.263 0.000 2.437 434 N HA 0.142 4.875 4.740 -0.011 0.000 0.259 434 N C 0.382 175.882 175.510 -0.018 0.000 0.983 434 N CA -0.317 52.658 53.050 -0.123 0.000 0.937 434 N CB 2.387 40.926 38.487 0.087 0.000 1.122 434 N HN 0.583 nan 8.380 nan 0.000 0.499 435 K N 1.461 121.833 120.400 -0.048 0.000 2.211 435 K HA -0.144 4.170 4.320 -0.011 0.000 0.204 435 K C 1.544 178.298 176.600 0.256 0.000 1.047 435 K CA 1.285 57.669 56.287 0.161 0.000 0.935 435 K CB 0.140 32.751 32.500 0.184 0.000 0.728 435 K HN 0.551 nan 8.250 nan 0.000 0.452 436 S N 0.076 115.887 115.700 0.186 0.000 2.440 436 S HA -0.121 4.342 4.470 -0.011 0.000 0.238 436 S C 1.585 176.300 174.600 0.193 0.000 1.010 436 S CA 0.873 59.177 58.200 0.174 0.000 0.972 436 S CB -0.093 63.196 63.200 0.148 0.000 0.774 436 S HN 0.231 nan 8.310 nan 0.000 0.501 437 M N -0.214 119.519 119.600 0.222 0.000 2.494 437 M HA 0.373 4.847 4.480 -0.011 0.000 0.232 437 M C -0.880 175.437 176.300 0.028 0.000 1.137 437 M CA -0.359 55.000 55.300 0.099 0.000 1.012 437 M CB -1.059 31.527 32.600 -0.023 0.000 1.567 437 M HN 0.382 nan 8.290 nan 0.000 0.486 438 W N 0.380 121.701 121.300 0.035 0.000 2.551 438 W HA 0.338 4.991 4.660 -0.011 0.000 0.330 438 W C 0.066 176.623 176.519 0.065 0.000 1.063 438 W CA -0.746 56.630 57.345 0.052 0.000 1.222 438 W CB 0.746 30.251 29.460 0.075 0.000 1.349 438 W HN -0.074 nan 8.180 nan 0.000 0.536 439 D N 2.179 122.736 120.400 0.262 0.000 2.443 439 D HA 0.023 4.657 4.640 -0.011 0.000 0.221 439 D C 0.507 176.941 176.300 0.223 0.000 1.097 439 D CA -0.017 54.101 54.000 0.196 0.000 0.865 439 D CB 0.729 41.614 40.800 0.141 0.000 1.034 439 D HN 0.389 nan 8.370 nan 0.000 0.511 440 D N 1.929 122.448 120.400 0.200 0.000 2.378 440 D HA -0.030 4.604 4.640 -0.011 0.000 0.222 440 D C 1.894 178.293 176.300 0.166 0.000 0.980 440 D CA 0.763 54.871 54.000 0.180 0.000 0.907 440 D CB 0.164 41.044 40.800 0.132 0.000 0.899 440 D HN 0.609 nan 8.370 nan 0.000 0.527 441 G N -0.645 108.245 108.800 0.150 0.000 2.511 441 G HA2 -0.010 3.943 3.960 -0.011 0.000 0.217 441 G HA3 -0.010 3.943 3.960 -0.011 0.000 0.217 441 G C 0.788 175.773 174.900 0.142 0.000 1.133 441 G CA -0.130 45.048 45.100 0.130 0.000 0.792 441 G HN 0.210 nan 8.290 nan 0.000 0.539 442 M N 0.462 120.161 119.600 0.166 0.000 2.202 442 M HA 0.187 4.661 4.480 -0.011 0.000 0.316 442 M C 1.723 178.182 176.300 0.264 0.000 1.138 442 M CA -0.345 55.057 55.300 0.170 0.000 1.151 442 M CB 1.283 33.972 32.600 0.149 0.000 1.422 442 M HN -0.051 nan 8.290 nan 0.000 0.471 443 S N 0.973 116.867 115.700 0.323 0.000 2.399 443 S HA -0.019 4.445 4.470 -0.011 0.000 0.231 443 S C 0.850 175.828 174.600 0.629 0.000 1.022 443 S CA 0.714 59.224 58.200 0.516 0.000 0.983 443 S CB -0.383 63.236 63.200 0.698 0.000 0.803 443 S HN 0.789 nan 8.310 nan 0.000 0.480 444 A N 1.474 124.609 122.820 0.524 0.000 2.546 444 A HA 0.517 4.830 4.320 -0.011 0.000 0.243 444 A C 0.366 178.193 177.584 0.406 0.000 1.063 444 A CA 0.086 52.445 52.037 0.536 0.000 0.757 444 A CB -0.083 19.269 19.000 0.587 0.000 0.991 444 A HN 0.447 nan 8.150 nan 0.000 0.503 445 A N 2.953 125.938 122.820 0.275 0.000 2.301 445 A HA 0.773 5.086 4.320 -0.011 0.000 0.312 445 A C 0.471 177.962 177.584 -0.155 0.000 1.182 445 A CA 0.238 52.270 52.037 -0.008 0.000 0.826 445 A CB 0.506 19.267 19.000 -0.399 0.000 1.134 445 A HN 1.708 nan 8.150 nan 0.000 0.501 446 T N 0.050 114.404 114.554 -0.334 0.000 2.883 446 T HA 0.755 5.098 4.350 -0.011 0.000 0.296 446 T C -3.146 171.166 174.700 -0.647 0.000 1.117 446 T CA -1.859 59.793 62.100 -0.747 0.000 1.006 446 T CB 1.338 69.478 68.868 -1.213 0.000 1.191 446 T HN 0.315 nan 8.240 nan 0.000 0.508 447 P HA 0.176 nan 4.420 nan 0.000 0.271 447 P C 1.007 178.115 177.300 -0.320 0.000 1.233 447 P CA -0.397 62.417 63.100 -0.476 0.000 0.789 447 P CB 0.450 31.896 31.700 -0.423 0.000 0.951 448 S N -1.100 114.505 115.700 -0.158 0.000 2.461 448 S HA -0.039 4.425 4.470 -0.011 0.000 0.228 448 S C 0.563 175.157 174.600 -0.010 0.000 1.005 448 S CA 0.372 58.528 58.200 -0.073 0.000 0.942 448 S CB -0.635 62.536 63.200 -0.050 0.000 0.776 448 S HN 0.429 nan 8.310 nan 0.000 0.514 449 E N 1.562 121.773 120.200 0.018 0.000 2.398 449 E HA 0.056 4.399 4.350 -0.011 0.000 0.263 449 E C 0.137 176.809 176.600 0.121 0.000 1.046 449 E CA -0.128 56.315 56.400 0.072 0.000 0.908 449 E CB 0.432 30.186 29.700 0.090 0.000 0.963 449 E HN 0.250 nan 8.360 nan 0.000 0.431 450 D N 0.784 121.232 120.400 0.081 0.000 2.182 450 D HA -0.087 4.546 4.640 -0.011 0.000 0.201 450 D C 0.138 176.452 176.300 0.023 0.000 0.986 450 D CA 1.041 55.080 54.000 0.064 0.000 0.847 450 D CB 0.238 41.063 40.800 0.043 0.000 0.942 450 D HN 0.022 nan 8.370 nan 0.000 0.467 451 V N 1.022 120.948 119.914 0.020 0.000 2.531 451 V HA 0.413 4.527 4.120 -0.011 0.000 0.301 451 V C -0.642 175.455 176.094 0.006 0.000 1.034 451 V CA -0.940 61.295 62.300 -0.107 0.000 0.865 451 V CB 1.730 33.498 31.823 -0.091 0.000 0.995 451 V HN 0.004 nan 8.190 nan 0.000 0.424 452 F N 2.822 122.686 119.950 -0.143 0.000 2.613 452 F HA 0.819 5.339 4.527 -0.011 0.000 0.310 452 F C -1.550 174.173 175.800 -0.128 0.000 1.085 452 F CA -1.504 56.454 58.000 -0.070 0.000 0.945 452 F CB 1.265 40.176 39.000 -0.148 0.000 1.298 452 F HN 0.320 nan 8.300 nan 0.000 0.455 453 Y N 1.594 121.984 120.300 0.151 0.000 2.334 453 Y HA 0.667 5.210 4.550 -0.011 0.000 0.328 453 Y C 0.371 176.341 175.900 0.117 0.000 1.130 453 Y CA -0.939 57.180 58.100 0.032 0.000 1.163 453 Y CB 1.771 40.233 38.460 0.004 0.000 1.207 453 Y HN 0.973 nan 8.280 nan 0.000 0.471 454 A N 3.111 125.940 122.820 0.015 0.000 2.320 454 A HA 0.620 4.933 4.320 -0.011 0.000 0.287 454 A C -1.002 176.518 177.584 -0.106 0.000 1.181 454 A CA -0.467 51.572 52.037 0.004 0.000 0.831 454 A CB -0.007 18.734 19.000 -0.432 0.000 1.102 454 A HN 0.533 nan 8.150 nan 0.000 0.513 455 V N 2.882 122.761 119.914 -0.058 0.000 2.409 455 V HA 0.425 4.538 4.120 -0.011 0.000 0.290 455 V C -0.032 176.024 176.094 -0.063 0.000 1.017 455 V CA -0.276 61.978 62.300 -0.077 0.000 0.841 455 V CB 1.552 33.213 31.823 -0.271 0.000 1.003 455 V HN 0.826 nan 8.190 nan 0.000 0.426 456 S N 6.160 121.834 115.700 -0.043 0.000 2.718 456 S HA 0.562 5.025 4.470 -0.011 0.000 0.294 456 S C -0.378 174.105 174.600 -0.196 0.000 1.157 456 S CA -0.449 57.693 58.200 -0.096 0.000 1.121 456 S CB 0.678 63.825 63.200 -0.089 0.000 1.015 456 S HN 0.559 nan 8.310 nan 0.000 0.479 457 L N 4.505 125.591 121.223 -0.229 0.000 2.288 457 L HA 0.387 4.721 4.340 -0.011 0.000 0.283 457 L C -0.159 176.265 176.870 -0.743 0.000 1.072 457 L CA -0.294 54.239 54.840 -0.512 0.000 0.862 457 L CB 0.091 41.891 42.059 -0.432 0.000 1.245 457 L HN 0.481 nan 8.230 nan 0.000 0.432 458 L N 3.818 124.551 121.223 -0.816 0.000 2.480 458 L HA 0.246 4.579 4.340 -0.011 0.000 0.243 458 L C -0.181 176.450 176.870 -0.398 0.000 1.315 458 L CA -0.307 53.864 54.840 -1.116 0.000 1.231 458 L CB -0.915 40.327 42.059 -1.363 0.000 1.444 458 L HN 0.385 nan 8.230 nan 0.000 0.409 459 F N 0.032 120.056 119.950 0.123 0.000 2.538 459 F HA 0.065 4.585 4.527 -0.011 0.000 0.371 459 F C 1.177 177.195 175.800 0.364 0.000 1.087 459 F CA 0.440 58.571 58.000 0.219 0.000 1.250 459 F CB 0.469 39.567 39.000 0.163 0.000 1.110 459 F HN 0.149 nan 8.300 nan 0.000 0.570 460 S N 1.560 117.515 115.700 0.424 0.000 2.454 460 S HA 0.257 4.720 4.470 -0.011 0.000 0.306 460 S C -0.125 174.539 174.600 0.106 0.000 1.100 460 S CA -0.736 57.617 58.200 0.256 0.000 1.087 460 S CB 1.462 64.809 63.200 0.246 0.000 1.019 460 S HN 0.559 nan 8.310 nan 0.000 0.480 461 S N 3.129 118.806 115.700 -0.038 0.000 3.036 461 S HA 0.205 4.669 4.470 -0.011 0.000 0.301 461 S C 1.100 175.659 174.600 -0.068 0.000 1.205 461 S CA -0.724 57.444 58.200 -0.054 0.000 0.999 461 S CB -0.682 62.455 63.200 -0.105 0.000 1.337 461 S HN 0.629 nan 8.310 nan 0.000 0.515 462 V N 3.213 123.118 119.914 -0.015 0.000 2.581 462 V HA 0.499 4.613 4.120 -0.011 0.000 0.240 462 V C 1.205 177.293 176.094 -0.010 0.000 1.054 462 V CA 0.503 62.798 62.300 -0.008 0.000 1.076 462 V CB -1.439 30.404 31.823 0.032 0.000 0.748 462 V HN 0.782 nan 8.190 nan 0.000 0.474 463 A N 1.939 124.756 122.820 -0.004 0.000 2.531 463 A HA 0.381 4.695 4.320 -0.011 0.000 0.236 463 A C -0.556 177.015 177.584 -0.022 0.000 1.062 463 A CA -0.095 51.937 52.037 -0.008 0.000 0.760 463 A CB -0.766 18.230 19.000 -0.008 0.000 0.995 463 A HN 0.463 nan 8.150 nan 0.000 0.501 464 P HA -0.220 nan 4.420 nan 0.000 0.239 464 P C 0.151 177.430 177.300 -0.034 0.000 0.787 464 P CA 1.496 64.581 63.100 -0.024 0.000 1.114 464 P CB -0.002 31.686 31.700 -0.020 0.000 0.735 465 N N -0.211 118.468 118.700 -0.034 0.000 3.091 465 N HA 0.057 4.790 4.740 -0.011 0.000 0.255 465 N C -0.172 175.313 175.510 -0.043 0.000 1.204 465 N CA 0.096 53.122 53.050 -0.040 0.000 0.990 465 N CB 0.153 38.619 38.487 -0.036 0.000 1.260 465 N HN 0.188 nan 8.380 nan 0.000 0.502 466 D N 0.326 120.697 120.400 -0.048 0.000 2.398 466 D HA 0.044 4.678 4.640 -0.011 0.000 0.210 466 D C 1.638 177.898 176.300 -0.066 0.000 1.094 466 D CA -0.198 53.771 54.000 -0.052 0.000 0.839 466 D CB 0.510 41.285 40.800 -0.042 0.000 0.963 466 D HN 0.187 nan 8.370 nan 0.000 0.506 467 L N 0.937 122.119 121.223 -0.068 0.000 1.989 467 L HA -0.018 4.315 4.340 -0.011 0.000 0.211 467 L C 2.128 178.954 176.870 -0.074 0.000 1.071 467 L CA 2.253 57.048 54.840 -0.075 0.000 0.749 467 L CB -1.052 40.960 42.059 -0.078 0.000 0.890 467 L HN 0.044 nan 8.230 nan 0.000 0.431 468 A N -0.413 122.368 122.820 -0.065 0.000 1.908 468 A HA -0.290 4.023 4.320 -0.011 0.000 0.218 468 A C 2.566 180.106 177.584 -0.073 0.000 1.181 468 A CA 2.028 54.028 52.037 -0.061 0.000 0.627 468 A CB -0.730 18.240 19.000 -0.051 0.000 0.818 468 A HN 0.552 nan 8.150 nan 0.000 0.445 469 R N -0.411 120.041 120.500 -0.080 0.000 2.081 469 R HA -0.060 4.273 4.340 -0.011 0.000 0.235 469 R C 1.989 178.206 176.300 -0.139 0.000 1.131 469 R CA 1.549 57.591 56.100 -0.097 0.000 0.960 469 R CB -0.378 29.867 30.300 -0.091 0.000 0.856 469 R HN 0.534 nan 8.270 nan 0.000 0.436 470 L N 0.511 121.639 121.223 -0.158 0.000 2.056 470 L HA -0.181 4.152 4.340 -0.011 0.000 0.207 470 L C 2.654 179.413 176.870 -0.185 0.000 1.078 470 L CA 1.467 56.161 54.840 -0.243 0.000 0.749 470 L CB -0.416 41.513 42.059 -0.216 0.000 0.901 470 L HN 0.302 nan 8.230 nan 0.000 0.433 471 Q N -0.393 119.340 119.800 -0.111 0.000 2.084 471 Q HA -0.268 4.065 4.340 -0.011 0.000 0.202 471 Q C 2.109 178.063 176.000 -0.077 0.000 0.978 471 Q CA 1.690 57.449 55.803 -0.075 0.000 0.844 471 Q CB -0.098 28.607 28.738 -0.056 0.000 0.898 471 Q HN 0.320 nan 8.270 nan 0.000 0.426 472 E N 1.158 121.307 120.200 -0.085 0.000 2.106 472 E HA -0.225 4.118 4.350 -0.011 0.000 0.192 472 E C 1.872 178.418 176.600 -0.091 0.000 0.984 472 E CA 1.377 57.732 56.400 -0.075 0.000 0.806 472 E CB -0.057 29.601 29.700 -0.071 0.000 0.750 472 E HN 0.331 nan 8.360 nan 0.000 0.458 473 Q N -0.230 119.491 119.800 -0.132 0.000 2.124 473 Q HA -0.173 4.160 4.340 -0.011 0.000 0.202 473 Q C 1.599 177.524 176.000 -0.126 0.000 0.977 473 Q CA 1.610 57.318 55.803 -0.158 0.000 0.850 473 Q CB -0.087 28.496 28.738 -0.259 0.000 0.901 473 Q HN 0.241 nan 8.270 nan 0.000 0.429 474 N N 0.439 119.074 118.700 -0.108 0.000 2.142 474 N HA -0.123 4.610 4.740 -0.011 0.000 0.186 474 N C 1.634 177.127 175.510 -0.029 0.000 1.023 474 N CA 1.196 54.226 53.050 -0.034 0.000 0.852 474 N CB -0.197 38.293 38.487 0.006 0.000 0.998 474 N HN 0.279 nan 8.380 nan 0.000 0.424 475 R N 0.634 121.112 120.500 -0.037 0.000 2.096 475 R HA -0.017 4.316 4.340 -0.011 0.000 0.235 475 R C 2.236 178.522 176.300 -0.022 0.000 1.127 475 R CA 0.809 56.894 56.100 -0.026 0.000 0.968 475 R CB -0.171 30.112 30.300 -0.028 0.000 0.861 475 R HN 0.239 nan 8.270 nan 0.000 0.440 476 R N 1.143 121.620 120.500 -0.038 0.000 2.092 476 R HA -0.074 4.259 4.340 -0.011 0.000 0.231 476 R C 2.115 178.406 176.300 -0.015 0.000 1.119 476 R CA 1.217 57.298 56.100 -0.032 0.000 0.970 476 R CB -0.126 30.137 30.300 -0.061 0.000 0.864 476 R HN 0.178 nan 8.270 nan 0.000 0.440 477 I N 0.777 121.322 120.570 -0.043 0.000 2.252 477 I HA -0.290 3.873 4.170 -0.011 0.000 0.245 477 I C 2.134 178.259 176.117 0.015 0.000 1.102 477 I CA 1.113 62.384 61.300 -0.048 0.000 1.385 477 I CB -0.181 37.780 38.000 -0.065 0.000 1.064 477 I HN 0.220 nan 8.210 nan 0.000 0.414 478 L N 0.187 121.398 121.223 -0.020 0.000 2.083 478 L HA -0.187 4.146 4.340 -0.011 0.000 0.209 478 L C 2.762 179.652 176.870 0.033 0.000 1.083 478 L CA 1.360 56.173 54.840 -0.044 0.000 0.752 478 L CB -0.563 41.483 42.059 -0.022 0.000 0.899 478 L HN 0.166 nan 8.230 nan 0.000 0.433 479 R N -0.593 119.929 120.500 0.037 0.000 2.073 479 R HA -0.206 4.128 4.340 -0.011 0.000 0.234 479 R C 2.290 178.611 176.300 0.035 0.000 1.134 479 R CA 1.828 57.949 56.100 0.034 0.000 0.952 479 R CB -0.643 29.671 30.300 0.024 0.000 0.850 479 R HN 0.213 nan 8.270 nan 0.000 0.433 480 F N 1.140 121.046 119.950 -0.074 0.000 2.095 480 F HA -0.296 4.224 4.527 -0.011 0.000 0.298 480 F C 2.071 177.837 175.800 -0.057 0.000 1.104 480 F CA 1.339 59.282 58.000 -0.094 0.000 1.232 480 F CB -0.537 38.361 39.000 -0.171 0.000 0.987 480 F HN -0.026 nan 8.300 nan 0.000 0.475 481 C N 0.941 120.116 119.300 -0.209 0.000 2.429 481 C HA -0.157 4.296 4.460 -0.011 0.000 0.277 481 C C 2.499 177.452 174.990 -0.062 0.000 1.262 481 C CA 1.144 60.049 59.018 -0.188 0.000 1.733 481 C CB -1.181 26.597 27.740 0.064 0.000 2.010 481 C HN 0.530 nan 8.230 nan 0.000 0.483 482 D N 1.016 121.437 120.400 0.035 0.000 2.097 482 D HA -0.078 4.556 4.640 -0.011 0.000 0.195 482 D C 2.083 178.337 176.300 -0.078 0.000 0.989 482 D CA 1.074 55.087 54.000 0.021 0.000 0.827 482 D CB -0.503 40.319 40.800 0.037 0.000 0.966 482 D HN 0.438 nan 8.370 nan 0.000 0.456 483 L N 0.598 121.750 121.223 -0.120 0.000 2.141 483 L HA -0.080 4.253 4.340 -0.011 0.000 0.209 483 L C 2.292 179.051 176.870 -0.185 0.000 1.094 483 L CA 0.897 55.658 54.840 -0.131 0.000 0.763 483 L CB -0.334 41.659 42.059 -0.109 0.000 0.908 483 L HN -0.030 nan 8.230 nan 0.000 0.437 484 A N -0.411 122.217 122.820 -0.320 0.000 2.206 484 A HA 0.227 4.541 4.320 -0.011 0.000 0.211 484 A C 1.726 179.201 177.584 -0.182 0.000 1.158 484 A CA 0.757 52.599 52.037 -0.325 0.000 0.761 484 A CB -0.459 18.169 19.000 -0.620 0.000 0.801 484 A HN 0.518 nan 8.150 nan 0.000 0.473 485 G N -0.645 108.073 108.800 -0.136 0.000 2.147 485 G HA2 -0.224 3.729 3.960 -0.011 0.000 0.244 485 G HA3 -0.224 3.729 3.960 -0.011 0.000 0.244 485 G C 0.042 174.906 174.900 -0.060 0.000 1.005 485 G CA 0.235 45.283 45.100 -0.086 0.000 0.713 485 G HN 0.492 nan 8.290 nan 0.000 0.515 486 I N 0.947 121.497 120.570 -0.033 0.000 2.379 486 I HA 0.120 4.283 4.170 -0.011 0.000 0.290 486 I C 0.603 176.743 176.117 0.039 0.000 1.063 486 I CA -0.295 61.033 61.300 0.046 0.000 1.351 486 I CB 1.005 39.086 38.000 0.134 0.000 1.410 486 I HN 0.017 nan 8.210 nan 0.000 0.505 487 Q N 7.451 127.233 119.800 -0.029 0.000 3.184 487 Q HA 0.097 4.430 4.340 -0.011 0.000 0.288 487 Q C -0.594 175.326 176.000 -0.132 0.000 1.412 487 Q CA -0.116 55.602 55.803 -0.142 0.000 0.991 487 Q CB -0.664 28.004 28.738 -0.116 0.000 1.688 487 Q HN 0.513 nan 8.270 nan 0.000 0.554 488 Y N -1.188 119.084 120.300 -0.047 0.000 2.334 488 Y HA 0.610 5.153 4.550 -0.011 0.000 0.325 488 Y C 0.025 175.880 175.900 -0.075 0.000 1.308 488 Y CA -1.011 57.063 58.100 -0.043 0.000 1.389 488 Y CB 0.936 39.394 38.460 -0.003 0.000 1.328 488 Y HN -0.183 nan 8.280 nan 0.000 0.532 489 K N 1.572 122.056 120.400 0.139 0.000 2.443 489 K HA 0.284 4.597 4.320 -0.011 0.000 0.252 489 K C -0.652 176.056 176.600 0.180 0.000 0.933 489 K CA -0.521 55.789 56.287 0.038 0.000 0.792 489 K CB 1.898 34.346 32.500 -0.087 0.000 1.185 489 K HN 1.003 nan 8.250 nan 0.000 0.425 490 T N -0.821 113.894 114.554 0.269 0.000 2.788 490 T HA 0.397 4.740 4.350 -0.011 0.000 0.287 490 T C -0.376 174.394 174.700 0.116 0.000 1.007 490 T CA -0.290 61.905 62.100 0.159 0.000 1.005 490 T CB 0.685 69.635 68.868 0.135 0.000 1.012 490 T HN 0.437 nan 8.240 nan 0.000 0.530 491 Y N 0.940 121.130 120.300 -0.183 0.000 2.470 491 Y HA 0.471 5.015 4.550 -0.010 0.000 0.341 491 Y C 0.264 176.132 175.900 -0.054 0.000 1.021 491 Y CA -2.215 55.784 58.100 -0.169 0.000 1.025 491 Y CB 0.852 39.005 38.460 -0.511 0.000 1.266 491 Y HN 0.799 nan 8.280 nan 0.000 0.448 492 L N 2.494 123.421 121.223 -0.494 0.000 4.884 492 L HA -0.273 4.060 4.340 -0.011 0.000 0.430 492 L C 0.054 176.813 176.870 -0.185 0.000 1.087 492 L CA 1.036 55.640 54.840 -0.392 0.000 1.033 492 L CB -1.692 40.105 42.059 -0.436 0.000 2.030 492 L HN 0.702 nan 8.230 nan 0.000 0.762 493 A N 0.597 123.299 122.820 -0.197 0.000 2.325 493 A HA 0.834 5.147 4.320 -0.011 0.000 0.333 493 A C 0.200 177.553 177.584 -0.385 0.000 1.155 493 A CA -0.424 51.450 52.037 -0.273 0.000 0.814 493 A CB 1.067 19.866 19.000 -0.335 0.000 1.206 493 A HN 0.328 nan 8.150 nan 0.000 0.482 494 R N 1.120 121.421 120.500 -0.331 0.000 2.437 494 R HA 0.632 4.965 4.340 -0.011 0.000 0.310 494 R C -1.144 174.886 176.300 -0.449 0.000 0.955 494 R CA -0.419 55.574 56.100 -0.179 0.000 0.851 494 R CB 0.297 30.663 30.300 0.111 0.000 1.161 494 R HN 0.768 nan 8.270 nan 0.000 0.446 495 H N 0.561 119.256 119.070 -0.625 0.000 2.505 495 H HA 0.263 4.812 4.556 -0.011 0.000 0.355 495 H C 0.546 175.772 175.328 -0.170 0.000 1.179 495 H CA 0.166 55.825 56.048 -0.649 0.000 1.343 495 H CB 1.661 30.646 29.762 -1.296 0.000 1.501 495 H HN 0.878 nan 8.280 nan 0.000 0.569 496 T N -2.418 112.138 114.554 0.004 0.000 3.132 496 T HA 0.112 4.456 4.350 -0.011 0.000 0.274 496 T C -0.033 174.709 174.700 0.069 0.000 1.011 496 T CA -0.426 61.723 62.100 0.082 0.000 0.899 496 T CB 0.089 68.983 68.868 0.043 0.000 1.089 496 T HN 0.544 nan 8.240 nan 0.000 0.543 497 D N 0.570 120.988 120.400 0.029 0.000 2.787 497 D HA 0.343 4.977 4.640 -0.011 0.000 0.246 497 D C 0.916 177.221 176.300 0.009 0.000 1.150 497 D CA -0.560 53.444 54.000 0.006 0.000 0.864 497 D CB 2.474 43.245 40.800 -0.049 0.000 1.481 497 D HN -0.104 nan 8.370 nan 0.000 0.509 498 R N 2.179 122.691 120.500 0.020 0.000 2.103 498 R HA -0.177 4.156 4.340 -0.011 0.000 0.242 498 R C 1.931 178.124 176.300 -0.180 0.000 1.142 498 R CA 2.642 58.716 56.100 -0.042 0.000 0.960 498 R CB -0.862 29.414 30.300 -0.039 0.000 0.858 498 R HN 0.464 nan 8.270 nan 0.000 0.439 499 S N -0.238 115.370 115.700 -0.153 0.000 2.400 499 S HA -0.135 4.328 4.470 -0.011 0.000 0.232 499 S C 1.455 175.906 174.600 -0.248 0.000 1.025 499 S CA 1.390 59.476 58.200 -0.189 0.000 0.993 499 S CB -0.338 62.784 63.200 -0.130 0.000 0.808 499 S HN 0.360 nan 8.310 nan 0.000 0.478 500 D N 0.490 120.720 120.400 -0.284 0.000 2.149 500 D HA -0.009 4.625 4.640 -0.011 0.000 0.201 500 D C 1.435 177.366 176.300 -0.615 0.000 0.972 500 D CA 0.883 54.596 54.000 -0.477 0.000 0.835 500 D CB -0.384 40.086 40.800 -0.550 0.000 0.966 500 D HN 0.624 nan 8.370 nan 0.000 0.476 501 W N 0.897 121.930 121.300 -0.445 0.000 2.418 501 W HA -0.104 4.549 4.660 -0.011 0.000 0.292 501 W C 2.391 178.680 176.519 -0.383 0.000 1.213 501 W CA 0.173 57.287 57.345 -0.385 0.000 1.283 501 W CB -0.201 29.065 29.460 -0.323 0.000 1.119 501 W HN -0.207 nan 8.180 nan 0.000 0.542 502 V N 0.456 120.122 119.914 -0.415 0.000 2.358 502 V HA -0.279 3.835 4.120 -0.011 0.000 0.246 502 V C 2.142 178.160 176.094 -0.127 0.000 1.047 502 V CA 1.773 63.788 62.300 -0.474 0.000 1.035 502 V CB -0.699 30.773 31.823 -0.585 0.000 0.658 502 V HN 0.148 nan 8.190 nan 0.000 0.452 503 R N -1.011 119.381 120.500 -0.179 0.000 2.115 503 R HA -0.137 4.196 4.340 -0.011 0.000 0.226 503 R C 2.299 178.504 176.300 -0.159 0.000 1.100 503 R CA 1.459 57.462 56.100 -0.162 0.000 0.980 503 R CB -0.433 29.735 30.300 -0.220 0.000 0.875 503 R HN 0.682 nan 8.270 nan 0.000 0.445 504 H N 0.002 118.895 119.070 -0.295 0.000 2.267 504 H HA -0.147 4.403 4.556 -0.011 0.000 0.297 504 H C 1.427 176.636 175.328 -0.199 0.000 1.080 504 H CA 2.140 57.987 56.048 -0.334 0.000 1.278 504 H CB -0.150 29.326 29.762 -0.475 0.000 1.365 504 H HN 0.066 nan 8.280 nan 0.000 0.489 505 F N -0.074 119.946 119.950 0.116 0.000 2.293 505 F HA 0.217 4.737 4.527 -0.012 0.000 0.297 505 F C 1.461 177.301 175.800 0.065 0.000 1.089 505 F CA 1.109 59.175 58.000 0.110 0.000 1.377 505 F CB -0.082 39.090 39.000 0.286 0.000 1.051 505 F HN 0.497 nan 8.300 nan 0.000 0.511 506 G N -0.495 108.441 108.800 0.227 0.000 2.911 506 G HA2 0.164 4.118 3.960 -0.011 0.000 0.686 506 G HA3 0.164 4.118 3.960 -0.011 0.000 0.686 506 G C 0.606 175.645 174.900 0.232 0.000 1.136 506 G CA -0.629 44.556 45.100 0.141 0.000 0.764 506 G HN 0.438 nan 8.290 nan 0.000 0.626 507 A N 1.672 124.589 122.820 0.162 0.000 1.884 507 A HA 0.135 4.448 4.320 -0.011 0.000 0.219 507 A C 2.979 180.725 177.584 0.271 0.000 1.197 507 A CA 3.846 56.013 52.037 0.215 0.000 0.637 507 A CB -0.933 18.143 19.000 0.126 0.000 0.827 507 A HN 2.575 nan 8.150 nan 0.000 0.450 508 A N -0.705 122.226 122.820 0.185 0.000 1.902 508 A HA -0.166 4.148 4.320 -0.011 0.000 0.217 508 A C 2.153 179.842 177.584 0.175 0.000 1.181 508 A CA 2.115 54.245 52.037 0.156 0.000 0.623 508 A CB -0.451 18.614 19.000 0.108 0.000 0.818 508 A HN 0.588 nan 8.150 nan 0.000 0.443 509 K N -1.137 119.387 120.400 0.207 0.000 2.148 509 K HA -0.164 4.149 4.320 -0.011 0.000 0.204 509 K C 1.956 178.697 176.600 0.234 0.000 1.050 509 K CA 1.213 57.627 56.287 0.213 0.000 0.942 509 K CB -0.312 32.341 32.500 0.254 0.000 0.724 509 K HN 0.765 nan 8.250 nan 0.000 0.446 510 W N 1.906 123.286 121.300 0.134 0.000 2.338 510 W HA -0.233 4.420 4.660 -0.012 0.000 0.304 510 W C 1.108 177.721 176.519 0.157 0.000 1.212 510 W CA 1.387 58.803 57.345 0.118 0.000 1.264 510 W CB -0.332 29.230 29.460 0.171 0.000 1.142 510 W HN 0.164 nan 8.180 nan 0.000 0.512 511 N N 0.787 119.521 118.700 0.056 0.000 2.149 511 N HA -0.215 4.518 4.740 -0.011 0.000 0.188 511 N C 1.888 177.341 175.510 -0.095 0.000 1.019 511 N CA 1.716 54.728 53.050 -0.063 0.000 0.857 511 N CB -0.782 37.743 38.487 0.064 0.000 0.997 511 N HN 0.339 nan 8.380 nan 0.000 0.426 512 R N -0.302 120.184 120.500 -0.024 0.000 2.075 512 R HA -0.057 4.277 4.340 -0.011 0.000 0.232 512 R C 2.053 178.311 176.300 -0.070 0.000 1.126 512 R CA 0.758 56.840 56.100 -0.031 0.000 0.963 512 R CB -0.371 29.943 30.300 0.023 0.000 0.858 512 R HN 0.103 nan 8.270 nan 0.000 0.435 513 F N 0.747 120.548 119.950 -0.248 0.000 2.095 513 F HA -0.208 4.313 4.527 -0.011 0.000 0.298 513 F C 1.991 177.676 175.800 -0.193 0.000 1.104 513 F CA 1.507 59.358 58.000 -0.249 0.000 1.232 513 F CB -0.241 38.449 39.000 -0.517 0.000 0.987 513 F HN -0.191 nan 8.300 nan 0.000 0.475 514 V N 0.153 119.914 119.914 -0.255 0.000 2.343 514 V HA -0.293 3.820 4.120 -0.011 0.000 0.247 514 V C 2.364 178.329 176.094 -0.215 0.000 1.051 514 V CA 2.174 64.321 62.300 -0.255 0.000 1.036 514 V CB -0.733 30.884 31.823 -0.344 0.000 0.654 514 V HN 0.412 nan 8.190 nan 0.000 0.451 515 E N -0.285 119.806 120.200 -0.182 0.000 2.077 515 E HA -0.245 4.099 4.350 -0.011 0.000 0.193 515 E C 2.264 178.744 176.600 -0.199 0.000 0.989 515 E CA 1.409 57.712 56.400 -0.162 0.000 0.800 515 E CB -0.050 29.575 29.700 -0.126 0.000 0.746 515 E HN 0.373 nan 8.360 nan 0.000 0.452 516 M N 0.536 119.995 119.600 -0.235 0.000 2.229 516 M HA -0.094 4.380 4.480 -0.011 0.000 0.264 516 M C 2.180 178.429 176.300 -0.085 0.000 1.063 516 M CA 1.175 56.303 55.300 -0.287 0.000 1.114 516 M CB -0.644 31.543 32.600 -0.689 0.000 1.387 516 M HN -0.053 nan 8.290 nan 0.000 0.420 517 K N 1.083 121.466 120.400 -0.029 0.000 2.025 517 K HA -0.085 4.228 4.320 -0.011 0.000 0.207 517 K C 1.588 178.056 176.600 -0.221 0.000 1.049 517 K CA 1.395 57.607 56.287 -0.125 0.000 0.933 517 K CB -0.179 31.911 32.500 -0.683 0.000 0.714 517 K HN 0.211 nan 8.250 nan 0.000 0.438 518 N N 0.689 119.244 118.700 -0.243 0.000 2.166 518 N HA -0.165 4.568 4.740 -0.011 0.000 0.186 518 N C 1.523 176.927 175.510 -0.177 0.000 1.019 518 N CA 1.185 54.114 53.050 -0.202 0.000 0.856 518 N CB -0.137 38.250 38.487 -0.166 0.000 0.993 518 N HN 0.311 nan 8.380 nan 0.000 0.426 519 K N -0.494 119.758 120.400 -0.247 0.000 2.116 519 K HA -0.054 4.260 4.320 -0.011 0.000 0.203 519 K C 0.975 177.343 176.600 -0.386 0.000 1.052 519 K CA 1.001 57.050 56.287 -0.397 0.000 0.952 519 K CB 0.061 32.147 32.500 -0.690 0.000 0.729 519 K HN 0.117 nan 8.250 nan 0.000 0.446 520 Y N -0.792 119.530 120.300 0.036 0.000 2.498 520 Y HA 0.164 4.708 4.550 -0.011 0.000 0.259 520 Y C 0.225 176.091 175.900 -0.058 0.000 1.086 520 Y CA -0.144 58.004 58.100 0.080 0.000 1.287 520 Y CB 0.718 39.238 38.460 0.100 0.000 1.146 520 Y HN 0.032 nan 8.280 nan 0.000 0.523 521 D N 0.076 120.464 120.400 -0.020 0.000 2.945 521 D HA 0.184 4.817 4.640 -0.011 0.000 0.340 521 D C -2.103 174.059 176.300 -0.230 0.000 1.240 521 D CA -2.142 51.765 54.000 -0.154 0.000 0.749 521 D CB 0.623 41.343 40.800 -0.134 0.000 1.217 521 D HN -0.064 nan 8.370 nan 0.000 0.514 522 P HA -0.204 nan 4.420 nan 0.000 0.216 522 P C 0.828 178.028 177.300 -0.166 0.000 1.150 522 P CA 1.042 64.019 63.100 -0.205 0.000 0.843 522 P CB 0.345 31.934 31.700 -0.184 0.000 0.787 523 K N -0.810 119.491 120.400 -0.164 0.000 2.487 523 K HA 0.080 4.394 4.320 -0.011 0.000 0.192 523 K C 0.377 176.935 176.600 -0.071 0.000 1.027 523 K CA -0.179 56.050 56.287 -0.095 0.000 1.054 523 K CB -0.111 32.342 32.500 -0.078 0.000 0.824 523 K HN -0.017 nan 8.250 nan 0.000 0.510 524 R N 0.654 121.082 120.500 -0.120 0.000 3.205 524 R HA -0.175 4.158 4.340 -0.011 0.000 0.249 524 R C 0.374 176.663 176.300 -0.018 0.000 0.937 524 R CA 0.040 56.084 56.100 -0.094 0.000 0.641 524 R CB -1.934 28.338 30.300 -0.046 0.000 1.114 524 R HN 0.242 nan 8.270 nan 0.000 0.451 525 L N -0.502 120.703 121.223 -0.029 0.000 2.537 525 L HA 0.207 4.541 4.340 -0.011 0.000 0.224 525 L C 0.806 177.668 176.870 -0.014 0.000 1.065 525 L CA -0.006 54.844 54.840 0.017 0.000 0.860 525 L CB 0.175 42.256 42.059 0.036 0.000 1.086 525 L HN 0.180 nan 8.230 nan 0.000 0.482 526 L N 0.465 121.661 121.223 -0.045 0.000 2.380 526 L HA 0.156 4.489 4.340 -0.011 0.000 0.273 526 L C 0.589 177.419 176.870 -0.065 0.000 1.138 526 L CA -0.282 54.516 54.840 -0.071 0.000 0.832 526 L CB 0.799 42.867 42.059 0.014 0.000 1.124 526 L HN 0.122 nan 8.230 nan 0.000 0.454 527 S N 2.186 117.811 115.700 -0.125 0.000 3.447 527 S HA -0.101 4.362 4.470 -0.011 0.000 0.371 527 S C -1.182 173.417 174.600 -0.003 0.000 0.951 527 S CA 0.302 58.465 58.200 -0.062 0.000 1.269 527 S CB -0.930 62.272 63.200 0.002 0.000 0.919 527 S HN 0.715 nan 8.310 nan 0.000 0.516 528 P HA -0.092 nan 4.420 nan 0.000 0.222 528 P C 1.669 179.010 177.300 0.068 0.000 1.147 528 P CA 1.487 64.619 63.100 0.054 0.000 0.790 528 P CB -0.294 31.442 31.700 0.059 0.000 0.780 529 G N 0.261 109.095 108.800 0.057 0.000 2.535 529 G HA2 -0.206 3.747 3.960 -0.011 0.000 0.218 529 G HA3 -0.206 3.747 3.960 -0.011 0.000 0.218 529 G C 1.577 176.512 174.900 0.059 0.000 1.122 529 G CA 0.256 45.389 45.100 0.056 0.000 0.769 529 G HN 0.255 nan 8.290 nan 0.000 0.549 530 Q N 0.187 120.027 119.800 0.068 0.000 2.378 530 Q HA -0.006 4.327 4.340 -0.011 0.000 0.205 530 Q C 0.512 176.626 176.000 0.190 0.000 0.954 530 Q CA 0.696 56.567 55.803 0.113 0.000 0.901 530 Q CB 0.138 28.894 28.738 0.029 0.000 0.981 530 Q HN 0.424 nan 8.270 nan 0.000 0.483 531 D N -0.774 119.706 120.400 0.133 0.000 2.837 531 D HA -0.205 4.428 4.640 -0.011 0.000 0.230 531 D C 0.627 177.002 176.300 0.125 0.000 1.152 531 D CA 0.528 54.631 54.000 0.172 0.000 0.736 531 D CB -1.384 39.562 40.800 0.244 0.000 1.084 531 D HN 0.357 nan 8.370 nan 0.000 0.429 532 I N -1.508 118.968 120.570 -0.157 0.000 2.512 532 I HA -0.073 4.091 4.170 -0.011 0.000 0.247 532 I C 1.520 177.374 176.117 -0.438 0.000 1.094 532 I CA 0.710 61.668 61.300 -0.569 0.000 1.427 532 I CB -0.079 37.434 38.000 -0.811 0.000 1.149 532 I HN -0.100 nan 8.210 nan 0.000 0.438 533 F N 0.668 120.647 119.950 0.050 0.000 2.668 533 F HA 0.276 4.796 4.527 -0.012 0.000 0.301 533 F C 0.036 175.872 175.800 0.060 0.000 1.106 533 F CA -0.446 57.601 58.000 0.078 0.000 1.289 533 F CB -0.247 38.773 39.000 0.034 0.000 1.006 533 F HN 0.020 nan 8.300 nan 0.000 0.535 534 N N 0.000 118.801 118.700 0.168 0.000 1.763 534 N HA 0.000 4.733 4.740 -0.011 0.000 0.220 534 N CA 0.000 53.128 53.050 0.130 0.000 0.885 534 N CB 0.000 38.555 38.487 0.113 0.000 1.341 534 N HN 0.000 nan 8.380 nan 0.000 0.667