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 2wb5_1_B DATA FIRST_RESID 40 DATA SEQUENCE QVLVPNLNPT PENLEVVGDG FKITSSINLV GEEEADENAV NALREFLTAN DATA SEQUENCE NIEINSENDP NSTTLIIGEV DDDIPELDEA LNGTTAENLK EEGYALVSND DATA SEQUENCE GKIAIEGKDG DGTFYGVQTF KQLVKESNIP EVNITDYPTV SARGIVEGFY DATA SEQUENCE GTPWTHQDRL DQIKFYGENK LNTYIYAPKD DPYHREKWRE PYPESEMQRM DATA SEQUENCE QELINASAEN KVDFVFGISP GIDIRFDGDA GEEDFNHLIT KAESLYDMGV DATA SEQUENCE RSFAIYWDDI QDKSAAKHAQ VLNRFNEEFV KAKGDVKPLI TVPTEYDTGA DATA SEQUENCE MVSNGQPRAY TRIFAETVDP SIEVMWTGPG VVTNEIPLSD AQLISGIYDR DATA SEQUENCE NMAVWWNYPV TDYFKGKLAL GPMHGLDKGL NQYVDFFTVN PMEHAELSKI DATA SEQUENCE SIHTAADYSW NMDNYDYDKA WNRAIDMLYG DLAEDMKVFA NHSTRMDNKT DATA SEQUENCE WAKSGREDAP ELRAKMDELW NKLSSKEDAS ALIEELYGEF ARMEEACNNL DATA SEQUENCE KANLPEVALE ECSRQLDELI TLAQGDKASL DMIVAQLNED TEAYESAKEI DATA SEQUENCE AQNKLNTALS SFAVISEKVA QSFIQEALSF DLTLI 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 40 Q HA 0.000 nan 4.340 nan 0.000 0.214 40 Q C 0.000 175.987 176.000 -0.021 0.000 1.003 40 Q CA 0.000 55.801 55.803 -0.004 0.000 1.022 40 Q CB 0.000 28.744 28.738 0.011 0.000 1.108 41 V N -1.347 118.554 119.914 -0.022 0.000 3.914 41 V HA 0.351 5.713 4.120 2.071 0.000 0.187 41 V C 1.575 177.649 176.094 -0.033 0.000 1.258 41 V CA -0.072 62.209 62.300 -0.032 0.000 1.298 41 V CB -0.381 31.432 31.823 -0.018 0.000 1.453 41 V HN 0.115 nan 8.190 nan 0.000 0.553 42 L N 2.521 123.730 121.223 -0.022 0.000 2.718 42 L HA 0.408 5.990 4.340 2.071 0.000 0.242 42 L C -0.154 176.707 176.870 -0.016 0.000 1.203 42 L CA 0.084 54.916 54.840 -0.014 0.000 1.011 42 L CB -0.238 41.815 42.059 -0.010 0.000 1.250 42 L HN 0.377 nan 8.230 nan 0.000 0.437 43 V N -1.239 118.660 119.914 -0.025 0.000 3.301 43 V HA -0.135 5.228 4.120 2.071 0.000 0.474 43 V C -2.132 173.946 176.094 -0.027 0.000 0.682 43 V CA -1.028 61.255 62.300 -0.028 0.000 2.015 43 V CB -0.767 31.047 31.823 -0.016 0.000 2.470 43 V HN 0.308 nan 8.190 nan 0.000 0.499 44 P HA 0.249 nan 4.420 nan 0.000 0.274 44 P C 0.040 177.327 177.300 -0.022 0.000 1.260 44 P CA -0.443 62.638 63.100 -0.032 0.000 0.793 44 P CB 0.398 32.071 31.700 -0.044 0.000 1.048 45 N N 0.204 118.897 118.700 -0.011 0.000 2.356 45 N HA 0.054 6.036 4.740 2.071 0.000 0.252 45 N C -0.394 175.116 175.510 -0.001 0.000 1.241 45 N CA 0.633 53.686 53.050 0.004 0.000 0.861 45 N CB -0.158 38.340 38.487 0.018 0.000 1.075 45 N HN 0.278 nan 8.380 nan 0.000 0.461 46 L N 1.784 123.009 121.223 0.003 0.000 2.401 46 L HA 0.487 6.070 4.340 2.071 0.000 0.266 46 L C -0.002 176.851 176.870 -0.030 0.000 0.991 46 L CA -0.696 54.127 54.840 -0.028 0.000 0.818 46 L CB 2.141 44.176 42.059 -0.040 0.000 1.321 46 L HN 0.488 nan 8.230 nan 0.000 0.413 47 N N 2.415 121.054 118.700 -0.102 0.000 2.455 47 N HA 0.406 6.388 4.740 2.071 0.000 0.285 47 N C -3.024 172.278 175.510 -0.347 0.000 1.080 47 N CA -1.110 51.828 53.050 -0.187 0.000 0.932 47 N CB 3.496 41.857 38.487 -0.210 0.000 1.610 47 N HN 0.186 nan 8.380 nan 0.000 0.493 48 P HA 0.139 nan 4.420 nan 0.000 0.274 48 P C -0.535 176.642 177.300 -0.205 0.000 1.256 48 P CA 0.022 62.925 63.100 -0.328 0.000 0.795 48 P CB 0.438 31.813 31.700 -0.542 0.000 1.038 49 T N 3.279 117.811 114.554 -0.038 0.000 2.817 49 T HA 0.158 5.751 4.350 2.071 0.000 0.295 49 T C -2.134 172.597 174.700 0.052 0.000 0.958 49 T CA -0.635 61.472 62.100 0.011 0.000 1.157 49 T CB -0.703 68.196 68.868 0.052 0.000 0.898 49 T HN 0.297 nan 8.240 nan 0.000 0.536 50 P HA 0.099 nan 4.420 nan 0.000 0.266 50 P C 0.833 178.156 177.300 0.038 0.000 1.195 50 P CA -0.125 63.026 63.100 0.086 0.000 0.768 50 P CB 0.686 32.415 31.700 0.048 0.000 0.838 51 E N 3.232 123.411 120.200 -0.035 0.000 2.023 51 E HA -0.167 5.426 4.350 2.071 0.000 0.196 51 E C 0.065 176.600 176.600 -0.109 0.000 1.003 51 E CA 1.714 57.994 56.400 -0.200 0.000 0.809 51 E CB -0.121 29.202 29.700 -0.629 0.000 0.755 51 E HN 0.402 nan 8.360 nan 0.000 0.449 52 N N 0.054 118.704 118.700 -0.085 0.000 2.399 52 N HA 0.342 6.325 4.740 2.071 0.000 0.280 52 N C -1.381 174.121 175.510 -0.012 0.000 1.008 52 N CA -0.437 52.594 53.050 -0.032 0.000 0.894 52 N CB 1.967 40.448 38.487 -0.009 0.000 1.273 52 N HN 0.099 nan 8.380 nan 0.000 0.486 53 L N 1.074 122.297 121.223 0.000 0.000 2.476 53 L HA 0.450 6.033 4.340 2.071 0.000 0.269 53 L C -0.940 175.938 176.870 0.014 0.000 0.965 53 L CA -0.388 54.459 54.840 0.012 0.000 0.845 53 L CB 2.087 44.154 42.059 0.014 0.000 1.259 53 L HN 0.455 nan 8.230 nan 0.000 0.403 54 E N 3.599 123.811 120.200 0.021 0.000 2.234 54 E HA 0.501 6.094 4.350 2.071 0.000 0.266 54 E C -1.504 175.112 176.600 0.026 0.000 0.877 54 E CA -0.874 55.539 56.400 0.021 0.000 0.758 54 E CB 2.270 31.983 29.700 0.022 0.000 1.170 54 E HN 0.484 nan 8.360 nan 0.000 0.415 55 V N 5.141 125.068 119.914 0.022 0.000 2.488 55 V HA 0.068 5.430 4.120 2.071 0.000 0.277 55 V C 1.106 177.219 176.094 0.031 0.000 1.046 55 V CA 0.015 62.331 62.300 0.026 0.000 0.986 55 V CB 0.868 32.702 31.823 0.019 0.000 0.989 55 V HN 0.700 nan 8.190 nan 0.000 0.475 56 V N 1.970 121.909 119.914 0.041 0.000 3.484 56 V HA 0.619 5.981 4.120 2.071 0.000 0.252 56 V C 0.799 176.922 176.094 0.049 0.000 1.282 56 V CA 0.899 63.225 62.300 0.043 0.000 1.104 56 V CB 0.116 31.967 31.823 0.048 0.000 0.868 56 V HN 0.803 nan 8.190 nan 0.000 0.457 57 G N -0.081 108.756 108.800 0.062 0.000 3.175 57 G HA2 0.534 5.737 3.960 2.071 0.000 0.255 57 G HA3 0.534 5.737 3.960 2.071 0.000 0.255 57 G C -0.802 174.135 174.900 0.062 0.000 1.352 57 G CA 0.223 45.366 45.100 0.071 0.000 1.037 57 G HN 0.116 nan 8.290 nan 0.000 0.556 58 D N -0.308 120.134 120.400 0.070 0.000 2.368 58 D HA 0.362 6.245 4.640 2.071 0.000 0.218 58 D C 1.360 177.698 176.300 0.064 0.000 1.112 58 D CA 0.819 54.852 54.000 0.054 0.000 0.834 58 D CB 0.442 41.271 40.800 0.047 0.000 0.953 58 D HN 0.992 nan 8.370 nan 0.000 0.505 59 G N 1.041 109.904 108.800 0.105 0.000 2.829 59 G HA2 -0.038 5.164 3.960 2.071 0.000 0.628 59 G HA3 -0.038 5.164 3.960 2.071 0.000 0.628 59 G C -0.393 174.611 174.900 0.174 0.000 1.412 59 G CA -0.374 44.769 45.100 0.071 0.000 0.864 59 G HN 0.287 nan 8.290 nan 0.000 0.544 60 F N -2.486 117.482 119.950 0.030 0.000 2.715 60 F HA 0.891 6.661 4.527 2.072 0.000 0.318 60 F C -0.364 175.456 175.800 0.034 0.000 1.141 60 F CA -1.521 56.497 58.000 0.030 0.000 0.950 60 F CB 1.494 40.513 39.000 0.032 0.000 1.374 60 F HN 0.585 nan 8.300 nan 0.000 0.477 61 K N 1.540 122.103 120.400 0.271 0.000 2.118 61 K HA 0.536 6.098 4.320 2.071 0.000 0.267 61 K C -1.171 175.597 176.600 0.280 0.000 0.991 61 K CA -0.455 55.929 56.287 0.161 0.000 0.916 61 K CB 1.346 33.917 32.500 0.119 0.000 1.041 61 K HN 0.791 nan 8.250 nan 0.000 0.455 62 I N 3.570 124.244 120.570 0.173 0.000 2.321 62 I HA 0.045 5.457 4.170 2.071 0.000 0.291 62 I C 0.784 176.986 176.117 0.142 0.000 0.998 62 I CA -0.530 60.898 61.300 0.215 0.000 1.227 62 I CB 1.582 39.702 38.000 0.201 0.000 1.368 62 I HN 0.675 nan 8.210 nan 0.000 0.466 63 T N 1.618 116.252 114.554 0.132 0.000 2.855 63 T HA -0.002 5.591 4.350 2.071 0.000 0.322 63 T C 1.247 175.988 174.700 0.067 0.000 1.088 63 T CA -0.545 61.605 62.100 0.084 0.000 1.104 63 T CB 0.718 69.626 68.868 0.067 0.000 0.996 63 T HN 0.594 nan 8.240 nan 0.000 0.549 64 S N 1.108 116.835 115.700 0.044 0.000 2.419 64 S HA 0.007 5.720 4.470 2.071 0.000 0.233 64 S C 0.851 175.469 174.600 0.031 0.000 1.016 64 S CA 0.590 58.808 58.200 0.029 0.000 0.974 64 S CB -0.132 63.078 63.200 0.017 0.000 0.786 64 S HN 0.776 nan 8.310 nan 0.000 0.492 65 S N 0.885 116.606 115.700 0.035 0.000 2.500 65 S HA 0.708 6.421 4.470 2.071 0.000 0.301 65 S C -0.417 174.209 174.600 0.044 0.000 1.092 65 S CA -0.919 57.301 58.200 0.033 0.000 1.030 65 S CB 1.630 64.843 63.200 0.022 0.000 1.031 65 S HN 0.351 nan 8.310 nan 0.000 0.483 66 I N -0.186 120.413 120.570 0.047 0.000 2.957 66 I HA 0.670 6.082 4.170 2.071 0.000 0.310 66 I C -0.793 175.342 176.117 0.030 0.000 1.063 66 I CA -0.918 60.411 61.300 0.049 0.000 1.033 66 I CB 1.192 39.234 38.000 0.071 0.000 1.230 66 I HN 0.293 nan 8.210 nan 0.000 0.447 67 N N 2.810 121.523 118.700 0.022 0.000 2.456 67 N HA 0.493 6.475 4.740 2.071 0.000 0.288 67 N C -1.300 174.212 175.510 0.003 0.000 1.059 67 N CA -0.363 52.693 53.050 0.010 0.000 0.946 67 N CB 2.050 40.540 38.487 0.004 0.000 1.150 67 N HN 0.600 nan 8.380 nan 0.000 0.479 68 L N 2.528 123.751 121.223 -0.001 0.000 2.325 68 L HA 0.457 6.039 4.340 2.071 0.000 0.281 68 L C -1.174 175.689 176.870 -0.013 0.000 1.004 68 L CA -0.764 54.069 54.840 -0.012 0.000 0.823 68 L CB 1.437 43.491 42.059 -0.008 0.000 1.236 68 L HN 0.225 nan 8.230 nan 0.000 0.415 69 V N 5.121 125.023 119.914 -0.019 0.000 2.384 69 V HA 0.772 6.134 4.120 2.071 0.000 0.287 69 V C 0.829 176.913 176.094 -0.017 0.000 1.020 69 V CA 0.300 62.591 62.300 -0.014 0.000 0.850 69 V CB 0.758 32.573 31.823 -0.013 0.000 0.987 69 V HN 0.972 nan 8.190 nan 0.000 0.436 70 G N 3.532 112.326 108.800 -0.011 0.000 2.229 70 G HA2 -0.179 5.023 3.960 2.071 0.000 0.189 70 G HA3 -0.179 5.023 3.960 2.071 0.000 0.189 70 G C 0.837 175.733 174.900 -0.007 0.000 1.000 70 G CA 0.178 45.273 45.100 -0.008 0.000 0.663 70 G HN 0.764 nan 8.290 nan 0.000 0.493 71 E N 1.179 121.374 120.200 -0.008 0.000 2.401 71 E HA -0.122 5.471 4.350 2.071 0.000 0.199 71 E C 1.392 177.992 176.600 0.000 0.000 1.023 71 E CA 1.504 57.901 56.400 -0.005 0.000 0.859 71 E CB -0.144 29.554 29.700 -0.003 0.000 0.780 71 E HN 0.548 nan 8.360 nan 0.000 0.523 72 E N 0.593 120.793 120.200 0.001 0.000 2.340 72 E HA -0.018 5.574 4.350 2.071 0.000 0.194 72 E C 1.588 178.190 176.600 0.003 0.000 0.996 72 E CA 0.409 56.810 56.400 0.002 0.000 0.869 72 E CB 0.160 29.862 29.700 0.002 0.000 0.835 72 E HN 0.339 nan 8.360 nan 0.000 0.493 73 E N 1.103 121.304 120.200 0.003 0.000 2.166 73 E HA 0.134 5.727 4.350 2.071 0.000 0.192 73 E C 0.981 177.585 176.600 0.007 0.000 0.967 73 E CA 0.232 56.635 56.400 0.005 0.000 0.840 73 E CB -0.226 29.477 29.700 0.005 0.000 0.795 73 E HN 0.085 nan 8.360 nan 0.000 0.470 74 A N 2.087 124.910 122.820 0.005 0.000 2.448 74 A HA -0.028 5.534 4.320 2.071 0.000 0.239 74 A C 0.022 177.613 177.584 0.012 0.000 1.080 74 A CA -0.056 51.985 52.037 0.007 0.000 0.779 74 A CB -0.205 18.794 19.000 -0.001 0.000 1.026 74 A HN 0.119 nan 8.150 nan 0.000 0.499 75 D N 0.588 120.999 120.400 0.017 0.000 2.502 75 D HA 0.007 5.890 4.640 2.071 0.000 0.249 75 D C 1.048 177.364 176.300 0.027 0.000 1.188 75 D CA 0.751 54.763 54.000 0.020 0.000 0.890 75 D CB 0.316 41.131 40.800 0.025 0.000 1.140 75 D HN 0.603 nan 8.370 nan 0.000 0.505 76 E N 2.752 122.962 120.200 0.017 0.000 2.086 76 E HA -0.342 5.251 4.350 2.071 0.000 0.205 76 E C 1.398 178.025 176.600 0.044 0.000 1.027 76 E CA 1.941 58.354 56.400 0.021 0.000 0.830 76 E CB -0.045 29.660 29.700 0.008 0.000 0.751 76 E HN 0.662 nan 8.360 nan 0.000 0.456 77 N N -0.215 118.511 118.700 0.045 0.000 2.149 77 N HA -0.187 5.796 4.740 2.071 0.000 0.188 77 N C 1.738 177.405 175.510 0.262 0.000 1.019 77 N CA 0.877 53.983 53.050 0.094 0.000 0.857 77 N CB -0.114 38.347 38.487 -0.044 0.000 0.997 77 N HN 0.146 nan 8.380 nan 0.000 0.426 78 A N 0.607 123.566 122.820 0.231 0.000 1.898 78 A HA -0.060 5.503 4.320 2.071 0.000 0.216 78 A C 2.396 180.011 177.584 0.052 0.000 1.181 78 A CA 0.979 53.113 52.037 0.162 0.000 0.620 78 A CB -0.738 18.306 19.000 0.072 0.000 0.819 78 A HN 0.100 nan 8.150 nan 0.000 0.442 79 V N 1.249 121.190 119.914 0.046 0.000 2.295 79 V HA -0.273 5.089 4.120 2.071 0.000 0.246 79 V C 2.270 178.390 176.094 0.044 0.000 1.049 79 V CA 2.180 64.496 62.300 0.027 0.000 1.024 79 V CB -0.867 30.968 31.823 0.020 0.000 0.648 79 V HN 0.577 nan 8.190 nan 0.000 0.447 80 N N 0.315 119.053 118.700 0.062 0.000 2.223 80 N HA -0.107 5.875 4.740 2.071 0.000 0.185 80 N C 1.849 177.408 175.510 0.082 0.000 1.016 80 N CA 1.542 54.632 53.050 0.067 0.000 0.863 80 N CB -0.285 38.241 38.487 0.065 0.000 0.983 80 N HN 0.512 nan 8.380 nan 0.000 0.429 81 A N 1.050 123.926 122.820 0.094 0.000 1.930 81 A HA -0.052 5.510 4.320 2.071 0.000 0.217 81 A C 2.257 179.879 177.584 0.063 0.000 1.175 81 A CA 0.713 52.787 52.037 0.062 0.000 0.627 81 A CB -0.542 18.431 19.000 -0.046 0.000 0.815 81 A HN 0.196 nan 8.150 nan 0.000 0.443 82 L N -0.016 121.238 121.223 0.050 0.000 2.005 82 L HA -0.128 5.454 4.340 2.071 0.000 0.207 82 L C 2.507 179.475 176.870 0.164 0.000 1.072 82 L CA 1.884 56.786 54.840 0.104 0.000 0.744 82 L CB -0.575 41.497 42.059 0.022 0.000 0.895 82 L HN 0.337 nan 8.230 nan 0.000 0.433 83 R N -0.336 120.225 120.500 0.100 0.000 2.115 83 R HA -0.241 5.341 4.340 2.071 0.000 0.239 83 R C 2.201 178.560 176.300 0.099 0.000 1.133 83 R CA 2.057 58.209 56.100 0.087 0.000 0.935 83 R CB -0.735 29.598 30.300 0.054 0.000 0.853 83 R HN 0.518 nan 8.270 nan 0.000 0.433 84 E N -0.214 120.045 120.200 0.098 0.000 2.086 84 E HA -0.265 5.327 4.350 2.071 0.000 0.205 84 E C 1.781 178.448 176.600 0.112 0.000 1.027 84 E CA 1.803 58.256 56.400 0.088 0.000 0.830 84 E CB -0.235 29.519 29.700 0.091 0.000 0.751 84 E HN 0.206 nan 8.360 nan 0.000 0.456 85 F N 1.002 120.963 119.950 0.018 0.000 2.031 85 F HA -0.253 5.516 4.527 2.069 0.000 0.295 85 F C 2.043 177.860 175.800 0.028 0.000 1.133 85 F CA 1.132 59.142 58.000 0.016 0.000 1.188 85 F CB -0.405 38.618 39.000 0.040 0.000 0.974 85 F HN -0.024 nan 8.300 nan 0.000 0.473 86 L N 0.559 121.889 121.223 0.179 0.000 2.010 86 L HA -0.305 5.278 4.340 2.071 0.000 0.219 86 L C 2.542 179.373 176.870 -0.065 0.000 1.077 86 L CA 2.496 57.369 54.840 0.055 0.000 0.773 86 L CB -2.040 40.100 42.059 0.135 0.000 0.892 86 L HN 0.234 nan 8.230 nan 0.000 0.436 87 T N -0.245 114.294 114.554 -0.025 0.000 2.665 87 T HA -0.249 5.344 4.350 2.071 0.000 0.268 87 T C 1.809 176.452 174.700 -0.096 0.000 1.035 87 T CA 1.710 63.784 62.100 -0.043 0.000 1.151 87 T CB -0.373 68.485 68.868 -0.016 0.000 0.862 87 T HN 0.473 nan 8.240 nan 0.000 0.438 88 A N 1.525 124.259 122.820 -0.143 0.000 2.066 88 A HA 0.011 5.573 4.320 2.071 0.000 0.218 88 A C 1.813 179.246 177.584 -0.251 0.000 1.157 88 A CA 0.844 52.776 52.037 -0.176 0.000 0.670 88 A CB -0.273 18.628 19.000 -0.165 0.000 0.804 88 A HN 0.535 nan 8.150 nan 0.000 0.453 89 N N 0.308 118.793 118.700 -0.357 0.000 2.279 89 N HA 0.018 6.000 4.740 2.071 0.000 0.226 89 N C -0.456 174.947 175.510 -0.179 0.000 1.126 89 N CA 0.068 52.917 53.050 -0.334 0.000 0.846 89 N CB 0.163 38.320 38.487 -0.549 0.000 1.050 89 N HN 0.378 nan 8.380 nan 0.000 0.502 90 N N 0.467 119.089 118.700 -0.128 0.000 2.900 90 N HA -0.189 5.794 4.740 2.071 0.000 0.240 90 N C -0.158 175.326 175.510 -0.045 0.000 0.953 90 N CA 0.719 53.726 53.050 -0.072 0.000 0.950 90 N CB -1.225 37.226 38.487 -0.061 0.000 1.102 90 N HN 0.364 nan 8.380 nan 0.000 0.593 91 I N 2.287 122.830 120.570 -0.045 0.000 2.505 91 I HA -0.026 5.387 4.170 2.071 0.000 0.287 91 I C 1.024 177.149 176.117 0.014 0.000 1.104 91 I CA 0.539 61.840 61.300 0.001 0.000 1.387 91 I CB 0.397 38.420 38.000 0.037 0.000 1.404 91 I HN -0.097 nan 8.210 nan 0.000 0.528 92 E N 6.857 127.066 120.200 0.016 0.000 2.343 92 E HA 0.379 5.971 4.350 2.071 0.000 0.269 92 E C -0.316 176.300 176.600 0.026 0.000 1.047 92 E CA -0.487 55.923 56.400 0.016 0.000 0.874 92 E CB 1.840 31.546 29.700 0.010 0.000 1.033 92 E HN 0.445 nan 8.360 nan 0.000 0.409 93 I N 2.998 123.582 120.570 0.023 0.000 2.304 93 I HA 0.084 5.496 4.170 2.071 0.000 0.291 93 I C 0.245 176.371 176.117 0.016 0.000 1.018 93 I CA -0.748 60.566 61.300 0.023 0.000 1.260 93 I CB 0.541 38.554 38.000 0.021 0.000 1.390 93 I HN 0.123 nan 8.210 nan 0.000 0.475 94 N N 4.153 122.862 118.700 0.016 0.000 2.365 94 N HA -0.071 5.911 4.740 2.071 0.000 0.265 94 N C 1.245 176.760 175.510 0.008 0.000 1.288 94 N CA 0.194 53.251 53.050 0.011 0.000 0.869 94 N CB 0.892 39.385 38.487 0.011 0.000 1.071 94 N HN 0.699 nan 8.380 nan 0.000 0.480 95 S N 1.609 117.313 115.700 0.007 0.000 2.377 95 S HA -0.115 5.597 4.470 2.071 0.000 0.223 95 S C 0.553 175.155 174.600 0.004 0.000 1.030 95 S CA 0.425 58.628 58.200 0.005 0.000 0.970 95 S CB -0.170 63.033 63.200 0.004 0.000 0.830 95 S HN 0.759 nan 8.310 nan 0.000 0.473 96 E N 1.853 122.055 120.200 0.003 0.000 2.191 96 E HA 0.348 5.940 4.350 2.071 0.000 0.274 96 E C -0.558 176.044 176.600 0.003 0.000 0.948 96 E CA -1.085 55.317 56.400 0.002 0.000 0.802 96 E CB 0.635 30.336 29.700 0.002 0.000 1.137 96 E HN 0.170 nan 8.360 nan 0.000 0.397 97 N N 2.708 121.409 118.700 0.001 0.000 2.407 97 N HA -0.070 5.912 4.740 2.071 0.000 0.250 97 N C -1.203 174.307 175.510 0.001 0.000 1.236 97 N CA 0.462 53.513 53.050 0.001 0.000 0.879 97 N CB 0.908 39.395 38.487 -0.001 0.000 1.088 97 N HN 0.691 nan 8.380 nan 0.000 0.450 98 D N 3.708 124.108 120.400 0.001 0.000 2.696 98 D HA 0.362 6.245 4.640 2.071 0.000 0.251 98 D C -1.946 174.353 176.300 -0.003 0.000 1.188 98 D CA -1.852 52.148 54.000 0.000 0.000 0.876 98 D CB 1.871 42.673 40.800 0.003 0.000 1.334 98 D HN 0.251 nan 8.370 nan 0.000 0.540 99 P HA -0.132 nan 4.420 nan 0.000 0.216 99 P C 0.668 177.961 177.300 -0.012 0.000 1.150 99 P CA 0.972 64.066 63.100 -0.010 0.000 0.843 99 P CB 0.382 32.077 31.700 -0.009 0.000 0.787 100 N N -1.018 117.678 118.700 -0.006 0.000 2.461 100 N HA 0.022 6.005 4.740 2.071 0.000 0.188 100 N C 0.320 175.830 175.510 0.000 0.000 1.134 100 N CA 0.483 53.530 53.050 -0.005 0.000 0.878 100 N CB -0.064 38.422 38.487 -0.000 0.000 0.972 100 N HN 0.099 nan 8.380 nan 0.000 0.456 101 S N 0.189 115.890 115.700 0.003 0.000 2.578 101 S HA 0.270 5.983 4.470 2.071 0.000 0.283 101 S C 0.176 174.785 174.600 0.015 0.000 1.195 101 S CA -0.593 57.617 58.200 0.016 0.000 1.050 101 S CB 1.598 64.810 63.200 0.019 0.000 1.012 101 S HN 0.090 nan 8.310 nan 0.000 0.511 102 T N 3.505 118.085 114.554 0.043 0.000 2.933 102 T HA 0.122 5.714 4.350 2.071 0.000 0.306 102 T C 0.270 174.997 174.700 0.045 0.000 1.045 102 T CA 0.249 62.387 62.100 0.062 0.000 1.143 102 T CB 0.060 69.028 68.868 0.165 0.000 1.003 102 T HN 0.529 nan 8.240 nan 0.000 0.540 103 T N 3.382 117.950 114.554 0.024 0.000 2.888 103 T HA 0.618 6.210 4.350 2.071 0.000 0.284 103 T C -0.518 174.189 174.700 0.011 0.000 1.017 103 T CA -0.697 61.409 62.100 0.010 0.000 1.022 103 T CB 1.175 70.037 68.868 -0.009 0.000 1.013 103 T HN 0.485 nan 8.240 nan 0.000 0.465 104 L N 3.522 124.735 121.223 -0.017 0.000 2.404 104 L HA 0.638 6.221 4.340 2.071 0.000 0.272 104 L C -1.746 175.084 176.870 -0.067 0.000 0.980 104 L CA -0.825 53.975 54.840 -0.066 0.000 0.836 104 L CB 0.796 42.779 42.059 -0.126 0.000 1.238 104 L HN 0.527 nan 8.230 nan 0.000 0.408 105 I N 5.863 126.396 120.570 -0.061 0.000 2.412 105 I HA 0.560 5.973 4.170 2.071 0.000 0.296 105 I C -0.456 175.626 176.117 -0.057 0.000 0.987 105 I CA -0.336 60.936 61.300 -0.045 0.000 1.180 105 I CB 1.748 39.735 38.000 -0.021 0.000 1.340 105 I HN 0.487 nan 8.210 nan 0.000 0.455 106 I N 3.836 124.379 120.570 -0.046 0.000 2.607 106 I HA 0.874 6.286 4.170 2.071 0.000 0.290 106 I C -0.381 175.726 176.117 -0.017 0.000 1.129 106 I CA 0.234 61.508 61.300 -0.044 0.000 1.042 106 I CB 1.716 39.672 38.000 -0.073 0.000 1.242 106 I HN 0.756 nan 8.210 nan 0.000 0.421 107 G N 4.991 113.790 108.800 -0.001 0.000 2.342 107 G HA2 0.383 5.586 3.960 2.071 0.000 0.297 107 G HA3 0.383 5.586 3.960 2.071 0.000 0.297 107 G C -1.938 172.980 174.900 0.029 0.000 1.313 107 G CA -0.675 44.431 45.100 0.012 0.000 0.830 107 G HN 0.514 nan 8.290 nan 0.000 0.506 108 E N -1.017 119.202 120.200 0.032 0.000 2.254 108 E HA 0.566 6.159 4.350 2.071 0.000 0.261 108 E C 1.387 178.011 176.600 0.040 0.000 1.051 108 E CA -0.640 55.787 56.400 0.045 0.000 0.902 108 E CB 1.836 31.561 29.700 0.042 0.000 1.168 108 E HN 0.195 nan 8.360 nan 0.000 0.423 109 V N 0.628 120.570 119.914 0.046 0.000 2.332 109 V HA -0.216 5.147 4.120 2.071 0.000 0.248 109 V C 1.029 177.140 176.094 0.027 0.000 1.055 109 V CA 1.909 64.231 62.300 0.038 0.000 1.038 109 V CB -0.230 31.616 31.823 0.038 0.000 0.651 109 V HN 0.658 nan 8.190 nan 0.000 0.450 110 D N -0.323 120.093 120.400 0.026 0.000 2.325 110 D HA 0.049 5.932 4.640 2.071 0.000 0.234 110 D C 0.042 176.353 176.300 0.017 0.000 1.122 110 D CA 0.102 54.113 54.000 0.020 0.000 0.850 110 D CB -0.008 40.803 40.800 0.018 0.000 0.921 110 D HN 0.445 nan 8.370 nan 0.000 0.513 111 D N 0.472 120.883 120.400 0.018 0.000 2.264 111 D HA 0.037 5.920 4.640 2.071 0.000 0.249 111 D C -0.140 176.167 176.300 0.012 0.000 1.070 111 D CA -0.206 53.803 54.000 0.015 0.000 0.912 111 D CB 1.256 42.065 40.800 0.015 0.000 1.193 111 D HN -0.105 nan 8.370 nan 0.000 0.427 112 D N 1.788 122.194 120.400 0.010 0.000 2.402 112 D HA 0.185 6.067 4.640 2.071 0.000 0.235 112 D C -0.727 175.577 176.300 0.007 0.000 1.226 112 D CA -0.215 53.790 54.000 0.008 0.000 0.918 112 D CB -0.128 40.676 40.800 0.007 0.000 1.043 112 D HN 0.151 nan 8.370 nan 0.000 0.506 113 I N 4.500 125.074 120.570 0.007 0.000 2.586 113 I HA 0.161 5.574 4.170 2.071 0.000 0.281 113 I C -2.230 173.890 176.117 0.006 0.000 1.145 113 I CA -1.702 59.602 61.300 0.006 0.000 1.073 113 I CB 1.656 39.659 38.000 0.006 0.000 1.238 113 I HN 0.106 nan 8.210 nan 0.000 0.461 114 P HA 0.003 nan 4.420 nan 0.000 0.220 114 P C 1.067 178.369 177.300 0.003 0.000 1.152 114 P CA 1.221 64.323 63.100 0.004 0.000 0.812 114 P CB 0.601 32.303 31.700 0.003 0.000 0.792 115 E N -0.554 119.647 120.200 0.001 0.000 2.268 115 E HA -0.112 5.481 4.350 2.071 0.000 0.195 115 E C 1.749 178.350 176.600 0.002 0.000 0.995 115 E CA 0.442 56.842 56.400 -0.000 0.000 0.836 115 E CB -0.930 28.768 29.700 -0.004 0.000 0.763 115 E HN 0.091 nan 8.360 nan 0.000 0.491 116 L N 1.187 122.413 121.223 0.004 0.000 2.093 116 L HA -0.141 5.442 4.340 2.071 0.000 0.208 116 L C 1.177 178.056 176.870 0.014 0.000 1.085 116 L CA 1.793 56.638 54.840 0.009 0.000 0.755 116 L CB -0.300 41.766 42.059 0.011 0.000 0.904 116 L HN 0.075 nan 8.230 nan 0.000 0.435 117 D N -1.029 119.379 120.400 0.013 0.000 2.183 117 D HA -0.195 5.688 4.640 2.071 0.000 0.203 117 D C 1.871 178.179 176.300 0.012 0.000 0.969 117 D CA 0.943 54.951 54.000 0.014 0.000 0.842 117 D CB 0.179 40.985 40.800 0.011 0.000 0.957 117 D HN 0.390 nan 8.370 nan 0.000 0.484 118 E N 1.425 121.630 120.200 0.008 0.000 2.028 118 E HA -0.055 5.537 4.350 2.071 0.000 0.191 118 E C 2.076 178.680 176.600 0.007 0.000 0.988 118 E CA 1.286 57.689 56.400 0.005 0.000 0.799 118 E CB -0.278 29.423 29.700 0.001 0.000 0.755 118 E HN 0.138 nan 8.360 nan 0.000 0.447 119 A N 0.448 123.273 122.820 0.007 0.000 1.972 119 A HA -0.149 5.413 4.320 2.071 0.000 0.219 119 A C 2.260 179.858 177.584 0.023 0.000 1.169 119 A CA 1.301 53.345 52.037 0.012 0.000 0.635 119 A CB -0.723 18.284 19.000 0.011 0.000 0.810 119 A HN 0.319 nan 8.150 nan 0.000 0.446 120 L N -1.320 119.918 121.223 0.026 0.000 1.994 120 L HA -0.146 5.437 4.340 2.071 0.000 0.208 120 L C 0.959 177.847 176.870 0.030 0.000 1.071 120 L CA 1.214 56.074 54.840 0.033 0.000 0.745 120 L CB -0.621 41.458 42.059 0.034 0.000 0.892 120 L HN 0.649 nan 8.230 nan 0.000 0.431 121 N N -0.255 118.458 118.700 0.022 0.000 2.663 121 N HA -0.195 5.787 4.740 2.071 0.000 0.263 121 N C 0.442 175.964 175.510 0.020 0.000 1.109 121 N CA 0.093 53.155 53.050 0.019 0.000 0.701 121 N CB -0.703 37.795 38.487 0.018 0.000 0.879 121 N HN 0.692 nan 8.380 nan 0.000 0.550 122 G N -0.434 108.377 108.800 0.018 0.000 3.355 122 G HA2 -0.300 4.903 3.960 2.071 0.000 0.247 122 G HA3 -0.300 4.903 3.960 2.071 0.000 0.247 122 G C -0.055 174.857 174.900 0.020 0.000 1.818 122 G CA 0.193 45.304 45.100 0.018 0.000 1.309 122 G HN 1.015 nan 8.290 nan 0.000 0.546 123 T N 1.262 115.830 114.554 0.024 0.000 2.933 123 T HA 0.467 6.060 4.350 2.071 0.000 0.306 123 T C 0.644 175.362 174.700 0.031 0.000 1.045 123 T CA 1.459 63.575 62.100 0.026 0.000 1.143 123 T CB 1.016 69.901 68.868 0.030 0.000 1.003 123 T HN 1.970 nan 8.240 nan 0.000 0.540 124 T N -1.907 112.664 114.554 0.028 0.000 2.669 124 T HA 0.706 6.299 4.350 2.071 0.000 0.283 124 T C 0.359 175.080 174.700 0.036 0.000 1.019 124 T CA -0.606 61.515 62.100 0.035 0.000 1.039 124 T CB 1.378 70.263 68.868 0.029 0.000 1.374 124 T HN 0.836 nan 8.240 nan 0.000 0.523 125 A N -0.325 122.523 122.820 0.046 0.000 2.708 125 A HA 0.354 5.917 4.320 2.071 0.000 0.293 125 A C 1.454 179.054 177.584 0.026 0.000 1.303 125 A CA -0.354 51.712 52.037 0.048 0.000 0.949 125 A CB -0.879 18.176 19.000 0.093 0.000 1.121 125 A HN 0.831 nan 8.150 nan 0.000 0.542 126 E N 0.214 120.421 120.200 0.011 0.000 2.021 126 E HA -0.272 5.320 4.350 2.071 0.000 0.200 126 E C 1.351 177.945 176.600 -0.010 0.000 1.015 126 E CA 1.512 57.913 56.400 0.003 0.000 0.824 126 E CB -0.061 29.638 29.700 -0.001 0.000 0.762 126 E HN 0.693 nan 8.360 nan 0.000 0.454 127 N N -2.317 116.363 118.700 -0.034 0.000 2.475 127 N HA -0.116 5.867 4.740 2.071 0.000 0.152 127 N C -0.782 174.668 175.510 -0.099 0.000 1.661 127 N CA 0.874 53.895 53.050 -0.048 0.000 3.280 127 N CB -0.968 37.504 38.487 -0.024 0.000 1.500 127 N HN 0.048 nan 8.380 nan 0.000 1.126 128 L N 1.518 122.682 121.223 -0.098 0.000 2.286 128 L HA 0.516 6.099 4.340 2.071 0.000 0.265 128 L C 0.657 177.427 176.870 -0.167 0.000 1.012 128 L CA -0.982 53.744 54.840 -0.191 0.000 0.818 128 L CB 1.643 43.652 42.059 -0.084 0.000 1.337 128 L HN 0.276 nan 8.230 nan 0.000 0.438 129 K N -0.106 120.144 120.400 -0.249 0.000 2.117 129 K HA 0.274 5.837 4.320 2.071 0.000 0.240 129 K C -0.410 176.173 176.600 -0.028 0.000 1.031 129 K CA -0.667 55.535 56.287 -0.142 0.000 0.909 129 K CB 0.519 32.907 32.500 -0.187 0.000 1.097 129 K HN 0.360 nan 8.250 nan 0.000 0.492 130 E N 0.862 121.063 120.200 0.002 0.000 2.568 130 E HA -0.152 5.441 4.350 2.071 0.000 0.262 130 E C -0.536 176.133 176.600 0.115 0.000 0.961 130 E CA 1.139 57.574 56.400 0.059 0.000 0.945 130 E CB 0.101 29.835 29.700 0.056 0.000 0.924 130 E HN 0.712 nan 8.360 nan 0.000 0.467 131 E N -0.580 119.739 120.200 0.198 0.000 4.155 131 E HA -0.178 5.415 4.350 2.071 0.000 0.367 131 E C 0.522 177.401 176.600 0.465 0.000 0.631 131 E CA 0.416 57.039 56.400 0.371 0.000 1.351 131 E CB -1.511 28.437 29.700 0.414 0.000 1.759 131 E HN 0.644 nan 8.360 nan 0.000 0.401 132 G N 0.369 109.347 108.800 0.296 0.000 2.606 132 G HA2 0.414 5.616 3.960 2.071 0.000 0.252 132 G HA3 0.414 5.616 3.960 2.071 0.000 0.252 132 G C -0.322 174.803 174.900 0.375 0.000 1.206 132 G CA 0.495 45.772 45.100 0.295 0.000 0.861 132 G HN 0.262 nan 8.290 nan 0.000 0.561 133 Y N -2.492 117.958 120.300 0.249 0.000 2.713 133 Y HA 0.725 6.517 4.550 2.070 0.000 0.335 133 Y C -0.508 175.487 175.900 0.158 0.000 1.222 133 Y CA -1.438 56.773 58.100 0.186 0.000 1.061 133 Y CB 0.842 39.422 38.460 0.199 0.000 1.314 133 Y HN 0.913 nan 8.280 nan 0.000 0.453 134 A N 2.067 125.029 122.820 0.236 0.000 2.374 134 A HA 0.838 6.401 4.320 2.071 0.000 0.317 134 A C -2.064 175.691 177.584 0.284 0.000 1.094 134 A CA -0.888 51.234 52.037 0.142 0.000 0.765 134 A CB 1.716 20.769 19.000 0.089 0.000 1.268 134 A HN 1.123 nan 8.150 nan 0.000 0.438 135 L N 2.515 123.872 121.223 0.223 0.000 2.439 135 L HA 0.675 6.257 4.340 2.071 0.000 0.270 135 L C -1.692 175.258 176.870 0.134 0.000 0.972 135 L CA -0.549 54.413 54.840 0.204 0.000 0.836 135 L CB 1.932 44.157 42.059 0.277 0.000 1.255 135 L HN 0.470 nan 8.230 nan 0.000 0.404 136 V N 3.016 122.994 119.914 0.107 0.000 2.448 136 V HA 0.553 5.915 4.120 2.071 0.000 0.295 136 V C -0.093 176.075 176.094 0.124 0.000 1.025 136 V CA -0.475 61.885 62.300 0.100 0.000 0.859 136 V CB 1.727 33.596 31.823 0.078 0.000 0.988 136 V HN 0.815 nan 8.190 nan 0.000 0.431 137 S N 3.917 119.708 115.700 0.152 0.000 2.594 137 S HA 0.597 6.309 4.470 2.071 0.000 0.322 137 S C -0.637 174.149 174.600 0.309 0.000 1.085 137 S CA -0.668 57.678 58.200 0.242 0.000 1.116 137 S CB 0.749 64.060 63.200 0.185 0.000 0.979 137 S HN 0.778 nan 8.310 nan 0.000 0.465 138 N N 2.781 121.669 118.700 0.313 0.000 2.406 138 N HA 0.071 6.054 4.740 2.071 0.000 0.283 138 N C -1.652 173.801 175.510 -0.094 0.000 1.074 138 N CA -0.407 52.746 53.050 0.171 0.000 0.916 138 N CB 1.757 40.294 38.487 0.084 0.000 1.639 138 N HN 0.902 nan 8.380 nan 0.000 0.485 139 D N 2.885 123.147 120.400 -0.229 0.000 4.368 139 D HA -0.115 5.767 4.640 2.071 0.000 0.202 139 D C 1.017 176.858 176.300 -0.765 0.000 1.209 139 D CA 1.985 55.561 54.000 -0.707 0.000 0.766 139 D CB -0.502 40.114 40.800 -0.307 0.000 1.226 139 D HN 0.872 nan 8.370 nan 0.000 0.663 140 G N 2.965 110.959 108.800 -1.344 0.000 2.217 140 G HA2 -0.298 4.905 3.960 2.071 0.000 0.246 140 G HA3 -0.298 4.905 3.960 2.071 0.000 0.246 140 G C 0.215 174.968 174.900 -0.244 0.000 0.990 140 G CA 0.456 45.204 45.100 -0.586 0.000 0.627 140 G HN 0.733 nan 8.290 nan 0.000 0.522 141 K N -0.069 120.216 120.400 -0.192 0.000 2.463 141 K HA 0.694 6.257 4.320 2.071 0.000 0.255 141 K C -0.856 175.832 176.600 0.147 0.000 0.942 141 K CA -0.732 55.553 56.287 -0.003 0.000 0.814 141 K CB 1.711 34.194 32.500 -0.027 0.000 1.122 141 K HN 0.129 nan 8.250 nan 0.000 0.425 142 I N 2.479 123.128 120.570 0.131 0.000 2.378 142 I HA 0.437 5.849 4.170 2.071 0.000 0.291 142 I C -0.520 175.601 176.117 0.007 0.000 0.992 142 I CA -0.314 61.048 61.300 0.103 0.000 1.154 142 I CB 2.025 40.056 38.000 0.053 0.000 1.315 142 I HN 0.592 nan 8.210 nan 0.000 0.448 143 A N 7.514 130.349 122.820 0.025 0.000 2.343 143 A HA 0.883 6.446 4.320 2.071 0.000 0.316 143 A C -0.734 176.861 177.584 0.019 0.000 1.104 143 A CA -0.405 51.638 52.037 0.009 0.000 0.768 143 A CB 0.672 19.689 19.000 0.029 0.000 1.213 143 A HN 0.647 nan 8.150 nan 0.000 0.456 144 I N 2.006 122.573 120.570 -0.007 0.000 2.439 144 I HA 0.315 5.727 4.170 2.071 0.000 0.283 144 I C -0.291 175.853 176.117 0.045 0.000 1.023 144 I CA 0.016 61.328 61.300 0.020 0.000 1.100 144 I CB 1.729 39.686 38.000 -0.072 0.000 1.238 144 I HN 0.813 nan 8.210 nan 0.000 0.445 145 E N 5.516 125.782 120.200 0.109 0.000 2.191 145 E HA 0.608 6.201 4.350 2.071 0.000 0.263 145 E C -0.554 176.151 176.600 0.175 0.000 0.881 145 E CA -0.631 55.834 56.400 0.107 0.000 0.757 145 E CB 1.770 31.523 29.700 0.088 0.000 1.147 145 E HN 0.692 nan 8.360 nan 0.000 0.414 146 G N 3.055 111.945 108.800 0.150 0.000 2.412 146 G HA2 0.111 5.313 3.960 2.071 0.000 0.318 146 G HA3 0.111 5.313 3.960 2.071 0.000 0.318 146 G C 0.480 175.470 174.900 0.149 0.000 1.146 146 G CA -0.435 44.785 45.100 0.200 0.000 0.882 146 G HN 0.570 nan 8.290 nan 0.000 0.501 147 K N 0.049 120.548 120.400 0.165 0.000 2.057 147 K HA -0.019 5.544 4.320 2.071 0.000 0.206 147 K C 0.594 177.247 176.600 0.088 0.000 1.050 147 K CA 1.964 58.315 56.287 0.107 0.000 0.935 147 K CB 0.018 32.576 32.500 0.097 0.000 0.715 147 K HN 0.695 nan 8.250 nan 0.000 0.439 148 D N -3.740 116.722 120.400 0.103 0.000 2.758 148 D HA 0.304 6.186 4.640 2.071 0.000 0.279 148 D C 1.055 177.397 176.300 0.070 0.000 1.111 148 D CA -0.351 53.693 54.000 0.074 0.000 1.109 148 D CB 0.033 40.873 40.800 0.067 0.000 1.428 148 D HN -0.074 nan 8.370 nan 0.000 0.586 149 G N -0.970 107.854 108.800 0.039 0.000 2.448 149 G HA2 -0.171 5.032 3.960 2.071 0.000 0.218 149 G HA3 -0.171 5.032 3.960 2.071 0.000 0.218 149 G C 0.824 175.721 174.900 -0.005 0.000 1.135 149 G CA 0.530 45.642 45.100 0.020 0.000 0.784 149 G HN 0.425 nan 8.290 nan 0.000 0.543 150 D N 1.045 121.432 120.400 -0.021 0.000 2.097 150 D HA -0.090 5.792 4.640 2.071 0.000 0.195 150 D C 2.668 178.924 176.300 -0.072 0.000 0.989 150 D CA 1.405 55.334 54.000 -0.119 0.000 0.827 150 D CB -0.709 40.091 40.800 -0.001 0.000 0.966 150 D HN 0.294 nan 8.370 nan 0.000 0.456 151 G N 0.070 108.963 108.800 0.156 0.000 2.418 151 G HA2 -0.245 4.958 3.960 2.071 0.000 0.217 151 G HA3 -0.245 4.958 3.960 2.071 0.000 0.217 151 G C 1.702 176.715 174.900 0.188 0.000 1.158 151 G CA 1.544 46.845 45.100 0.334 0.000 0.771 151 G HN 0.237 nan 8.290 nan 0.000 0.545 152 T N 0.845 115.459 114.554 0.100 0.000 2.674 152 T HA -0.152 5.440 4.350 2.071 0.000 0.265 152 T C 1.942 176.611 174.700 -0.051 0.000 1.039 152 T CA 1.188 63.305 62.100 0.028 0.000 1.150 152 T CB -0.388 68.502 68.868 0.037 0.000 0.864 152 T HN 0.239 nan 8.240 nan 0.000 0.427 153 F N 1.111 120.946 119.950 -0.193 0.000 2.115 153 F HA -0.248 5.517 4.527 2.063 0.000 0.300 153 F C 1.982 177.627 175.800 -0.259 0.000 1.092 153 F CA 1.365 59.214 58.000 -0.252 0.000 1.245 153 F CB -0.446 38.342 39.000 -0.353 0.000 0.995 153 F HN 0.148 nan 8.300 nan 0.000 0.481 154 Y N 0.314 120.593 120.300 -0.035 0.000 2.293 154 Y HA 0.022 5.810 4.550 2.063 0.000 0.291 154 Y C 2.677 178.152 175.900 -0.709 0.000 1.137 154 Y CA 0.729 58.660 58.100 -0.282 0.000 1.202 154 Y CB -1.485 36.967 38.460 -0.014 0.000 0.990 154 Y HN 0.121 nan 8.280 nan 0.000 0.537 155 G N -0.631 107.702 108.800 -0.778 0.000 2.408 155 G HA2 -0.184 5.018 3.960 2.071 0.000 0.217 155 G HA3 -0.184 5.018 3.960 2.071 0.000 0.217 155 G C 1.875 176.534 174.900 -0.403 0.000 1.150 155 G CA 1.150 45.686 45.100 -0.939 0.000 0.776 155 G HN 0.283 nan 8.290 nan 0.000 0.542 156 V N 0.664 120.377 119.914 -0.336 0.000 2.332 156 V HA -0.207 5.156 4.120 2.071 0.000 0.248 156 V C 3.048 178.976 176.094 -0.277 0.000 1.055 156 V CA 1.928 64.081 62.300 -0.245 0.000 1.038 156 V CB -0.333 31.312 31.823 -0.297 0.000 0.651 156 V HN 0.318 nan 8.190 nan 0.000 0.450 157 Q N -0.242 119.314 119.800 -0.406 0.000 2.096 157 Q HA -0.177 5.405 4.340 2.071 0.000 0.204 157 Q C 2.325 178.149 176.000 -0.294 0.000 0.982 157 Q CA 2.270 57.856 55.803 -0.362 0.000 0.850 157 Q CB -1.067 27.475 28.738 -0.327 0.000 0.901 157 Q HN 0.652 nan 8.270 nan 0.000 0.422 158 T N 1.345 115.746 114.554 -0.255 0.000 2.821 158 T HA -0.096 5.497 4.350 2.071 0.000 0.267 158 T C 1.486 176.103 174.700 -0.139 0.000 1.046 158 T CA 0.975 62.979 62.100 -0.161 0.000 1.139 158 T CB -0.419 68.422 68.868 -0.044 0.000 0.871 158 T HN 0.286 nan 8.240 nan 0.000 0.454 159 F N 2.950 122.741 119.950 -0.265 0.000 2.095 159 F HA -0.151 5.618 4.527 2.070 0.000 0.298 159 F C 2.038 177.595 175.800 -0.404 0.000 1.104 159 F CA 1.323 59.160 58.000 -0.271 0.000 1.232 159 F CB -0.358 38.484 39.000 -0.262 0.000 0.987 159 F HN -0.019 nan 8.300 nan 0.000 0.475 160 K N -0.004 119.871 120.400 -0.875 0.000 2.074 160 K HA -0.246 5.316 4.320 2.071 0.000 0.209 160 K C 1.981 178.245 176.600 -0.560 0.000 1.048 160 K CA 2.101 57.700 56.287 -1.146 0.000 0.926 160 K CB -0.561 31.439 32.500 -0.832 0.000 0.713 160 K HN 0.520 nan 8.250 nan 0.000 0.444 161 Q N 0.493 120.080 119.800 -0.355 0.000 2.297 161 Q HA -0.008 5.575 4.340 2.071 0.000 0.204 161 Q C 2.063 177.952 176.000 -0.185 0.000 0.962 161 Q CA 0.636 56.318 55.803 -0.203 0.000 0.879 161 Q CB 0.001 28.651 28.738 -0.145 0.000 0.947 161 Q HN 0.297 nan 8.270 nan 0.000 0.462 162 L N -0.069 121.009 121.223 -0.242 0.000 2.240 162 L HA 0.014 5.596 4.340 2.071 0.000 0.211 162 L C 0.581 177.335 176.870 -0.193 0.000 1.106 162 L CA 0.135 54.868 54.840 -0.179 0.000 0.793 162 L CB 0.330 42.308 42.059 -0.135 0.000 0.927 162 L HN -0.051 nan 8.230 nan 0.000 0.446 163 V N 1.569 121.318 119.914 -0.276 0.000 2.432 163 V HA 0.195 5.558 4.120 2.071 0.000 0.271 163 V C -0.031 176.014 176.094 -0.081 0.000 1.046 163 V CA -0.270 61.916 62.300 -0.190 0.000 0.945 163 V CB 0.913 32.597 31.823 -0.231 0.000 0.992 163 V HN 0.072 nan 8.190 nan 0.000 0.471 164 K N 4.093 124.452 120.400 -0.069 0.000 2.545 164 K HA 0.408 5.970 4.320 2.071 0.000 0.252 164 K C 0.003 176.577 176.600 -0.042 0.000 0.948 164 K CA -0.528 55.732 56.287 -0.045 0.000 0.827 164 K CB 1.694 34.167 32.500 -0.045 0.000 1.128 164 K HN 0.680 nan 8.250 nan 0.000 0.429 165 E N 0.975 121.152 120.200 -0.038 0.000 2.868 165 E HA -0.210 5.382 4.350 2.071 0.000 0.278 165 E C -0.323 176.262 176.600 -0.026 0.000 1.009 165 E CA 1.060 57.439 56.400 -0.034 0.000 0.856 165 E CB -1.899 27.784 29.700 -0.028 0.000 1.428 165 E HN 0.801 nan 8.360 nan 0.000 0.423 166 S N -2.310 113.376 115.700 -0.023 0.000 2.261 166 S HA -0.194 5.519 4.470 2.071 0.000 0.247 166 S C 0.362 174.947 174.600 -0.025 0.000 1.195 166 S CA 1.306 59.506 58.200 -0.000 0.000 1.464 166 S CB -0.667 62.543 63.200 0.017 0.000 1.835 166 S HN 0.436 nan 8.310 nan 0.000 0.598 167 N N 1.109 119.778 118.700 -0.052 0.000 2.514 167 N HA 0.563 6.545 4.740 2.071 0.000 0.277 167 N C -0.466 174.949 175.510 -0.158 0.000 1.126 167 N CA 0.240 53.232 53.050 -0.096 0.000 0.978 167 N CB 1.121 39.569 38.487 -0.065 0.000 1.106 167 N HN 0.563 nan 8.380 nan 0.000 0.461 168 I N 2.552 122.954 120.570 -0.281 0.000 2.619 168 I HA 0.393 5.805 4.170 2.071 0.000 0.292 168 I C -2.496 173.432 176.117 -0.314 0.000 1.100 168 I CA -2.397 58.723 61.300 -0.300 0.000 1.043 168 I CB 3.078 40.866 38.000 -0.353 0.000 1.239 168 I HN 0.272 nan 8.210 nan 0.000 0.420 169 P HA 0.164 nan 4.420 nan 0.000 0.274 169 P C -1.336 175.917 177.300 -0.078 0.000 1.256 169 P CA -0.172 62.868 63.100 -0.101 0.000 0.795 169 P CB 0.552 32.221 31.700 -0.051 0.000 1.038 170 E N -0.074 120.134 120.200 0.013 0.000 2.081 170 E HA 0.388 5.980 4.350 2.071 0.000 0.281 170 E C -0.332 176.311 176.600 0.072 0.000 0.986 170 E CA -0.698 55.758 56.400 0.094 0.000 0.796 170 E CB 1.039 30.839 29.700 0.167 0.000 1.085 170 E HN 0.269 nan 8.360 nan 0.000 0.398 171 V N 0.660 120.621 119.914 0.078 0.000 3.114 171 V HA 0.588 5.951 4.120 2.071 0.000 0.308 171 V C -1.041 175.096 176.094 0.073 0.000 1.168 171 V CA -1.131 61.206 62.300 0.062 0.000 1.015 171 V CB 2.465 34.316 31.823 0.047 0.000 1.050 171 V HN 0.443 nan 8.190 nan 0.000 0.433 172 N N 2.011 120.747 118.700 0.059 0.000 2.372 172 N HA 0.749 6.732 4.740 2.071 0.000 0.285 172 N C -1.268 174.271 175.510 0.048 0.000 1.008 172 N CA -0.163 52.921 53.050 0.056 0.000 0.880 172 N CB 2.164 40.678 38.487 0.045 0.000 1.239 172 N HN 0.802 nan 8.380 nan 0.000 0.484 173 I N 0.988 121.590 120.570 0.054 0.000 2.533 173 I HA 0.331 5.743 4.170 2.071 0.000 0.290 173 I C -0.154 175.953 176.117 -0.017 0.000 1.056 173 I CA -0.650 60.667 61.300 0.030 0.000 1.057 173 I CB 2.303 40.349 38.000 0.075 0.000 1.240 173 I HN 0.413 nan 8.210 nan 0.000 0.423 174 T N 0.521 115.042 114.554 -0.055 0.000 2.908 174 T HA 0.760 6.353 4.350 2.071 0.000 0.290 174 T C -1.120 173.472 174.700 -0.179 0.000 1.034 174 T CA -0.762 61.277 62.100 -0.101 0.000 1.010 174 T CB 2.666 71.540 68.868 0.010 0.000 1.068 174 T HN 0.503 nan 8.240 nan 0.000 0.481 175 D N 0.270 120.501 120.400 -0.281 0.000 2.745 175 D HA 0.514 6.397 4.640 2.071 0.000 0.221 175 D C -1.803 174.449 176.300 -0.080 0.000 1.237 175 D CA -0.364 53.457 54.000 -0.297 0.000 0.781 175 D CB 1.540 42.110 40.800 -0.383 0.000 1.575 175 D HN 0.782 nan 8.370 nan 0.000 0.482 176 Y N -0.733 119.464 120.300 -0.172 0.000 2.641 176 Y HA 0.677 6.469 4.550 2.070 0.000 0.333 176 Y C -3.033 172.129 175.900 -1.230 0.000 1.174 176 Y CA -1.947 55.868 58.100 -0.475 0.000 1.057 176 Y CB 0.895 39.182 38.460 -0.288 0.000 1.322 176 Y HN 0.046 nan 8.280 nan 0.000 0.457 177 P HA 0.228 nan 4.420 nan 0.000 0.281 177 P C 0.001 176.953 177.300 -0.579 0.000 1.249 177 P CA -0.170 62.056 63.100 -1.456 0.000 0.810 177 P CB 2.189 33.327 31.700 -0.938 0.000 1.008 178 T N 0.266 114.539 114.554 -0.469 0.000 2.737 178 T HA 0.016 5.609 4.350 2.071 0.000 0.265 178 T C 0.915 175.506 174.700 -0.181 0.000 1.038 178 T CA 1.116 63.065 62.100 -0.250 0.000 1.144 178 T CB -0.133 68.580 68.868 -0.258 0.000 0.866 178 T HN 0.213 nan 8.240 nan 0.000 0.434 179 V N 1.381 121.183 119.914 -0.186 0.000 2.483 179 V HA 0.288 5.651 4.120 2.071 0.000 0.295 179 V C 0.832 176.879 176.094 -0.078 0.000 1.035 179 V CA -0.386 61.855 62.300 -0.099 0.000 0.896 179 V CB 1.975 33.749 31.823 -0.081 0.000 0.986 179 V HN 0.258 nan 8.190 nan 0.000 0.447 180 S N 2.376 118.055 115.700 -0.035 0.000 2.414 180 S HA 0.151 5.864 4.470 2.071 0.000 0.227 180 S C 0.745 175.308 174.600 -0.062 0.000 1.022 180 S CA 0.846 59.030 58.200 -0.027 0.000 0.958 180 S CB 0.171 63.380 63.200 0.014 0.000 0.797 180 S HN 0.936 nan 8.310 nan 0.000 0.493 181 A N 1.735 124.455 122.820 -0.166 0.000 2.330 181 A HA 0.772 6.334 4.320 2.071 0.000 0.313 181 A C -0.392 177.010 177.584 -0.304 0.000 1.124 181 A CA -0.770 51.030 52.037 -0.396 0.000 0.774 181 A CB 0.888 19.259 19.000 -1.049 0.000 1.198 181 A HN 0.319 nan 8.150 nan 0.000 0.465 182 R N 1.855 122.260 120.500 -0.157 0.000 2.515 182 R HA 0.675 6.258 4.340 2.071 0.000 0.291 182 R C 0.128 176.410 176.300 -0.030 0.000 1.046 182 R CA -0.094 56.011 56.100 0.008 0.000 0.914 182 R CB 2.308 32.651 30.300 0.072 0.000 1.191 182 R HN 1.181 nan 8.270 nan 0.000 0.435 183 G N 2.042 110.827 108.800 -0.026 0.000 2.435 183 G HA2 0.415 5.618 3.960 2.071 0.000 0.228 183 G HA3 0.415 5.618 3.960 2.071 0.000 0.228 183 G C -1.895 172.908 174.900 -0.161 0.000 1.198 183 G CA -0.480 44.533 45.100 -0.145 0.000 0.948 183 G HN 0.250 nan 8.290 nan 0.000 0.487 184 I N -0.092 120.368 120.570 -0.184 0.000 2.647 184 I HA 0.590 6.003 4.170 2.071 0.000 0.295 184 I C -0.500 175.518 176.117 -0.165 0.000 1.078 184 I CA -0.979 60.253 61.300 -0.114 0.000 1.048 184 I CB 2.133 40.151 38.000 0.030 0.000 1.239 184 I HN 0.393 nan 8.210 nan 0.000 0.421 185 V N 6.350 126.055 119.914 -0.349 0.000 2.311 185 V HA 0.365 5.727 4.120 2.071 0.000 0.275 185 V C 0.086 175.831 176.094 -0.582 0.000 1.022 185 V CA -0.385 61.566 62.300 -0.582 0.000 0.830 185 V CB 1.143 32.354 31.823 -1.020 0.000 1.012 185 V HN 0.832 nan 8.190 nan 0.000 0.452 186 E N 5.087 124.952 120.200 -0.558 0.000 1.858 186 E HA 0.351 5.944 4.350 2.071 0.000 0.267 186 E C 0.712 176.780 176.600 -0.886 0.000 1.215 186 E CA 0.407 56.358 56.400 -0.749 0.000 0.952 186 E CB 0.233 29.526 29.700 -0.677 0.000 1.058 186 E HN 0.880 nan 8.360 nan 0.000 0.407 187 G N 4.727 113.069 108.800 -0.763 0.000 4.424 187 G HA2 0.128 5.330 3.960 2.071 0.000 0.287 187 G HA3 0.128 5.330 3.960 2.071 0.000 0.287 187 G C -0.383 174.336 174.900 -0.302 0.000 1.023 187 G CA -0.450 44.334 45.100 -0.526 0.000 0.790 187 G HN 0.438 nan 8.290 nan 0.000 0.468 188 F N -0.766 119.035 119.950 -0.248 0.000 2.380 188 F HA 0.819 6.565 4.527 2.031 0.000 0.319 188 F C -0.175 175.509 175.800 -0.193 0.000 1.113 188 F CA -2.715 55.206 58.000 -0.131 0.000 1.056 188 F CB 0.404 39.348 39.000 -0.094 0.000 1.289 188 F HN -0.023 nan 8.300 nan 0.000 0.515 189 Y N 0.450 120.924 120.300 0.291 0.000 2.307 189 Y HA 0.555 6.350 4.550 2.076 0.000 0.324 189 Y C 0.910 176.995 175.900 0.308 0.000 1.238 189 Y CA 0.386 58.612 58.100 0.210 0.000 1.280 189 Y CB 0.984 39.534 38.460 0.151 0.000 1.248 189 Y HN 1.094 nan 8.280 nan 0.000 0.508 190 G N 0.034 109.054 108.800 0.367 0.000 2.462 190 G HA2 -0.134 5.069 3.960 2.071 0.000 0.685 190 G HA3 -0.134 5.069 3.960 2.071 0.000 0.685 190 G C -0.956 174.102 174.900 0.264 0.000 1.295 190 G CA -1.025 44.231 45.100 0.259 0.000 0.941 190 G HN 0.576 nan 8.290 nan 0.000 0.554 191 T N 3.476 118.151 114.554 0.201 0.000 2.778 191 T HA 0.398 5.990 4.350 2.071 0.000 0.282 191 T C -1.814 173.075 174.700 0.314 0.000 0.983 191 T CA 0.453 62.676 62.100 0.205 0.000 1.193 191 T CB 0.492 69.456 68.868 0.160 0.000 0.938 191 T HN 0.519 nan 8.240 nan 0.000 0.523 192 P HA 0.064 nan 4.420 nan 0.000 0.269 192 P C -0.017 177.512 177.300 0.381 0.000 1.215 192 P CA -0.673 62.541 63.100 0.190 0.000 0.780 192 P CB 0.402 32.149 31.700 0.080 0.000 0.898 193 W N 1.720 123.172 121.300 0.252 0.000 2.293 193 W HA 0.032 5.613 4.660 1.535 0.000 0.342 193 W C 1.154 177.781 176.519 0.180 0.000 1.274 193 W CA -0.058 57.419 57.345 0.219 0.000 1.290 193 W CB -1.010 28.582 29.460 0.220 0.000 1.176 193 W HN 0.344 nan 8.180 nan 0.000 0.570 194 T N -0.730 114.028 114.554 0.341 0.000 2.802 194 T HA -0.065 5.527 4.350 2.071 0.000 0.305 194 T C 1.135 175.988 174.700 0.257 0.000 1.053 194 T CA 0.315 62.565 62.100 0.250 0.000 1.058 194 T CB 0.874 69.836 68.868 0.156 0.000 0.988 194 T HN 0.509 nan 8.240 nan 0.000 0.539 195 H N 0.983 120.141 119.070 0.147 0.000 2.267 195 H HA -0.093 5.712 4.556 2.080 0.000 0.297 195 H C 2.287 177.652 175.328 0.062 0.000 1.080 195 H CA 2.406 58.524 56.048 0.117 0.000 1.278 195 H CB -0.221 29.593 29.762 0.086 0.000 1.365 195 H HN 0.569 nan 8.280 nan 0.000 0.489 196 Q N 0.439 120.235 119.800 -0.007 0.000 2.152 196 Q HA -0.153 5.429 4.340 2.071 0.000 0.206 196 Q C 1.900 177.812 176.000 -0.145 0.000 0.985 196 Q CA 1.509 57.249 55.803 -0.106 0.000 0.863 196 Q CB -0.360 28.361 28.738 -0.028 0.000 0.904 196 Q HN 0.642 nan 8.270 nan 0.000 0.422 197 D N 0.293 120.626 120.400 -0.111 0.000 2.104 197 D HA -0.146 5.737 4.640 2.071 0.000 0.194 197 D C 2.039 178.183 176.300 -0.261 0.000 0.994 197 D CA 1.056 54.921 54.000 -0.224 0.000 0.830 197 D CB -0.145 40.508 40.800 -0.246 0.000 0.959 197 D HN 0.220 nan 8.370 nan 0.000 0.452 198 R N -0.041 120.390 120.500 -0.115 0.000 2.092 198 R HA 0.029 5.611 4.340 2.071 0.000 0.231 198 R C 2.533 178.687 176.300 -0.244 0.000 1.119 198 R CA 0.451 56.487 56.100 -0.107 0.000 0.970 198 R CB -0.213 30.141 30.300 0.089 0.000 0.864 198 R HN 0.206 nan 8.270 nan 0.000 0.440 199 L N 0.129 121.190 121.223 -0.271 0.000 2.093 199 L HA -0.182 5.401 4.340 2.071 0.000 0.208 199 L C 1.980 178.720 176.870 -0.216 0.000 1.085 199 L CA 1.337 56.030 54.840 -0.246 0.000 0.755 199 L CB -0.363 41.537 42.059 -0.265 0.000 0.904 199 L HN 0.193 nan 8.230 nan 0.000 0.435 200 D N -0.929 119.330 120.400 -0.235 0.000 2.149 200 D HA -0.190 5.693 4.640 2.071 0.000 0.201 200 D C 2.278 178.412 176.300 -0.277 0.000 0.972 200 D CA 0.919 54.786 54.000 -0.221 0.000 0.835 200 D CB 0.218 40.876 40.800 -0.237 0.000 0.966 200 D HN 0.134 nan 8.370 nan 0.000 0.476 201 Q N -0.055 119.493 119.800 -0.419 0.000 2.079 201 Q HA -0.075 5.507 4.340 2.071 0.000 0.200 201 Q C 2.553 177.964 176.000 -0.981 0.000 0.974 201 Q CA 0.729 56.141 55.803 -0.652 0.000 0.840 201 Q CB -0.142 28.202 28.738 -0.657 0.000 0.898 201 Q HN 0.486 nan 8.270 nan 0.000 0.430 202 I N 0.767 120.955 120.570 -0.637 0.000 2.226 202 I HA -0.290 5.123 4.170 2.071 0.000 0.245 202 I C 2.355 178.373 176.117 -0.166 0.000 1.100 202 I CA 1.182 62.246 61.300 -0.393 0.000 1.374 202 I CB -0.154 37.751 38.000 -0.158 0.000 1.057 202 I HN 0.137 nan 8.210 nan 0.000 0.413 203 K N 0.095 120.427 120.400 -0.113 0.000 2.057 203 K HA -0.221 5.342 4.320 2.071 0.000 0.207 203 K C 2.154 178.796 176.600 0.070 0.000 1.049 203 K CA 1.659 57.953 56.287 0.011 0.000 0.931 203 K CB -0.330 32.172 32.500 0.004 0.000 0.714 203 K HN 0.155 nan 8.250 nan 0.000 0.440 204 F N 0.949 120.808 119.950 -0.152 0.000 2.161 204 F HA -0.254 5.469 4.527 1.992 0.000 0.300 204 F C 1.799 177.672 175.800 0.122 0.000 1.089 204 F CA 1.404 59.370 58.000 -0.057 0.000 1.282 204 F CB -0.232 38.698 39.000 -0.117 0.000 1.010 204 F HN 0.015 nan 8.300 nan 0.000 0.485 205 Y N 0.384 120.715 120.300 0.051 0.000 2.181 205 Y HA -0.020 4.908 4.550 0.630 0.000 0.288 205 Y C 2.794 178.701 175.900 0.013 0.000 1.146 205 Y CA 0.604 58.695 58.100 -0.016 0.000 1.164 205 Y CB -1.675 36.851 38.460 0.110 0.000 0.982 205 Y HN 0.094 nan 8.280 nan 0.000 0.515 206 G N -0.067 108.897 108.800 0.275 0.000 2.459 206 G HA2 -0.265 4.937 3.960 2.071 0.000 0.217 206 G HA3 -0.265 4.937 3.960 2.071 0.000 0.217 206 G C 1.471 176.519 174.900 0.247 0.000 1.183 206 G CA 0.973 46.324 45.100 0.418 0.000 0.776 206 G HN 0.433 nan 8.290 nan 0.000 0.552 207 E N 0.458 120.690 120.200 0.054 0.000 2.396 207 E HA -0.053 5.539 4.350 2.071 0.000 0.200 207 E C 1.094 177.571 176.600 -0.205 0.000 1.023 207 E CA 0.575 56.922 56.400 -0.088 0.000 0.857 207 E CB 0.049 29.707 29.700 -0.071 0.000 0.775 207 E HN 0.455 nan 8.360 nan 0.000 0.525 208 N N -0.086 118.463 118.700 -0.251 0.000 2.241 208 N HA 0.082 6.065 4.740 2.071 0.000 0.238 208 N C -0.663 174.633 175.510 -0.357 0.000 1.244 208 N CA 0.071 52.895 53.050 -0.377 0.000 0.880 208 N CB 0.913 39.074 38.487 -0.544 0.000 1.179 208 N HN -0.008 nan 8.380 nan 0.000 0.513 209 K N 0.516 120.763 120.400 -0.254 0.000 3.281 209 K HA -0.149 5.413 4.320 2.071 0.000 0.295 209 K C -0.443 176.026 176.600 -0.218 0.000 1.233 209 K CA 0.554 56.523 56.287 -0.529 0.000 0.866 209 K CB -1.708 30.067 32.500 -1.209 0.000 1.265 209 K HN 0.257 nan 8.250 nan 0.000 0.482 210 L N 2.016 123.230 121.223 -0.016 0.000 2.290 210 L HA 0.145 5.728 4.340 2.071 0.000 0.284 210 L C 1.257 178.217 176.870 0.150 0.000 1.078 210 L CA -0.375 54.483 54.840 0.031 0.000 0.815 210 L CB 0.592 42.613 42.059 -0.063 0.000 1.162 210 L HN 0.214 nan 8.230 nan 0.000 0.435 211 N N -0.045 118.731 118.700 0.127 0.000 2.200 211 N HA 0.057 6.040 4.740 2.071 0.000 0.224 211 N C -0.458 175.116 175.510 0.107 0.000 1.179 211 N CA -0.330 52.829 53.050 0.182 0.000 0.877 211 N CB 0.916 39.538 38.487 0.225 0.000 1.072 211 N HN 0.358 nan 8.380 nan 0.000 0.519 212 T N 0.831 115.417 114.554 0.053 0.000 3.031 212 T HA 0.212 5.805 4.350 2.071 0.000 0.305 212 T C -2.165 172.585 174.700 0.082 0.000 0.985 212 T CA -0.463 61.650 62.100 0.022 0.000 1.008 212 T CB 1.104 69.886 68.868 -0.143 0.000 1.005 212 T HN 0.197 nan 8.240 nan 0.000 0.444 213 Y N 4.469 124.781 120.300 0.020 0.000 2.331 213 Y HA 0.684 6.496 4.550 2.104 0.000 0.334 213 Y C -1.353 174.471 175.900 -0.126 0.000 0.960 213 Y CA -1.641 56.476 58.100 0.027 0.000 1.130 213 Y CB 0.717 39.334 38.460 0.262 0.000 1.164 213 Y HN 0.598 nan 8.280 nan 0.000 0.458 214 I N 7.856 127.999 120.570 -0.713 0.000 2.328 214 I HA 0.147 5.560 4.170 2.071 0.000 0.287 214 I C -1.059 174.428 176.117 -1.050 0.000 1.012 214 I CA -0.956 59.897 61.300 -0.745 0.000 1.195 214 I CB 0.805 38.573 38.000 -0.387 0.000 1.350 214 I HN 0.644 nan 8.210 nan 0.000 0.464 215 Y N 7.045 126.631 120.300 -1.191 0.000 2.539 215 Y HA 0.460 6.242 4.550 2.053 0.000 0.352 215 Y C 0.451 175.942 175.900 -0.683 0.000 1.004 215 Y CA -0.238 57.337 58.100 -0.875 0.000 1.278 215 Y CB 0.692 38.792 38.460 -0.599 0.000 1.136 215 Y HN 0.636 nan 8.280 nan 0.000 0.528 216 A N 7.217 129.358 122.820 -1.133 0.000 3.019 216 A HA 0.337 5.900 4.320 2.071 0.000 0.202 216 A C -2.991 173.846 177.584 -1.245 0.000 0.924 216 A CA -0.921 50.399 52.037 -1.195 0.000 1.156 216 A CB -0.283 18.437 19.000 -0.466 0.000 1.265 216 A HN 0.531 nan 8.150 nan 0.000 0.526 217 P HA 0.105 nan 4.420 nan 0.000 0.270 217 P C 0.825 177.796 177.300 -0.549 0.000 1.242 217 P CA 0.079 62.647 63.100 -0.885 0.000 0.768 217 P CB 0.854 32.127 31.700 -0.710 0.000 0.820 218 K N 2.179 122.297 120.400 -0.470 0.000 2.127 218 K HA -0.180 5.383 4.320 2.071 0.000 0.208 218 K C 0.568 177.100 176.600 -0.113 0.000 1.047 218 K CA 1.677 57.773 56.287 -0.319 0.000 0.927 218 K CB -0.377 31.607 32.500 -0.860 0.000 0.716 218 K HN 0.524 nan 8.250 nan 0.000 0.450 219 D N 1.017 121.352 120.400 -0.109 0.000 2.342 219 D HA -0.040 5.842 4.640 2.071 0.000 0.221 219 D C -0.095 176.218 176.300 0.022 0.000 1.101 219 D CA 0.064 54.068 54.000 0.007 0.000 0.837 219 D CB 0.016 40.858 40.800 0.070 0.000 0.938 219 D HN 0.127 nan 8.370 nan 0.000 0.508 220 D N 1.793 122.204 120.400 0.019 0.000 2.336 220 D HA 0.027 5.909 4.640 2.071 0.000 0.249 220 D C -1.327 175.027 176.300 0.091 0.000 1.213 220 D CA -1.921 52.156 54.000 0.129 0.000 0.870 220 D CB 1.698 42.645 40.800 0.244 0.000 1.076 220 D HN -0.044 nan 8.370 nan 0.000 0.483 221 P HA -0.174 nan 4.420 nan 0.000 0.219 221 P C 0.742 177.847 177.300 -0.325 0.000 1.146 221 P CA 1.121 64.074 63.100 -0.244 0.000 0.808 221 P CB -0.092 31.355 31.700 -0.421 0.000 0.779 222 Y N -1.694 118.616 120.300 0.017 0.000 2.546 222 Y HA -0.023 5.767 4.550 2.067 0.000 0.287 222 Y C 2.624 178.562 175.900 0.064 0.000 1.158 222 Y CA 0.559 58.568 58.100 -0.151 0.000 1.307 222 Y CB -0.904 37.091 38.460 -0.776 0.000 1.036 222 Y HN 0.157 nan 8.280 nan 0.000 0.532 223 H N -0.401 118.787 119.070 0.196 0.000 2.582 223 H HA 0.216 6.022 4.556 2.084 0.000 0.269 223 H C 2.069 177.440 175.328 0.072 0.000 0.962 223 H CA 0.807 56.953 56.048 0.164 0.000 1.230 223 H CB 0.454 30.272 29.762 0.093 0.000 1.445 223 H HN 0.149 nan 8.280 nan 0.000 0.528 224 R N -0.987 119.474 120.500 -0.066 0.000 4.770 224 R HA 0.085 5.668 4.340 2.071 0.000 0.106 224 R C 1.868 178.215 176.300 0.078 0.000 0.672 224 R CA 0.395 56.425 56.100 -0.115 0.000 1.062 224 R CB -0.116 30.119 30.300 -0.109 0.000 1.509 224 R HN 0.176 nan 8.270 nan 0.000 0.407 225 E N 1.007 121.228 120.200 0.034 0.000 2.077 225 E HA -0.141 5.451 4.350 2.071 0.000 0.193 225 E C -0.116 176.478 176.600 -0.009 0.000 0.989 225 E CA 1.174 57.588 56.400 0.023 0.000 0.800 225 E CB 0.309 29.996 29.700 -0.021 0.000 0.746 225 E HN 0.132 nan 8.360 nan 0.000 0.452 226 K N 0.739 121.095 120.400 -0.073 0.000 3.237 226 K HA 0.093 5.655 4.320 2.071 0.000 0.197 226 K C 0.722 177.249 176.600 -0.121 0.000 1.133 226 K CA -0.434 55.754 56.287 -0.166 0.000 0.944 226 K CB 0.151 32.511 32.500 -0.233 0.000 0.952 226 K HN 0.310 nan 8.250 nan 0.000 0.515 227 W N 0.628 121.862 121.300 -0.109 0.000 2.392 227 W HA -0.130 5.772 4.660 2.069 0.000 0.279 227 W C 0.674 177.151 176.519 -0.070 0.000 1.225 227 W CA 0.383 57.674 57.345 -0.090 0.000 1.233 227 W CB -0.393 28.976 29.460 -0.151 0.000 1.122 227 W HN 0.102 nan 8.180 nan 0.000 0.561 228 R N 1.075 120.982 120.500 -0.987 0.000 2.235 228 R HA -0.000 5.582 4.340 2.071 0.000 0.213 228 R C 0.448 176.503 176.300 -0.409 0.000 1.059 228 R CA 0.766 56.296 56.100 -0.950 0.000 0.997 228 R CB -0.171 29.298 30.300 -1.385 0.000 0.884 228 R HN 0.263 nan 8.270 nan 0.000 0.462 229 E N 1.717 121.779 120.200 -0.230 0.000 2.331 229 E HA 0.147 5.740 4.350 2.071 0.000 0.272 229 E C -2.311 174.265 176.600 -0.040 0.000 1.036 229 E CA -2.185 54.172 56.400 -0.072 0.000 0.864 229 E CB 0.789 30.514 29.700 0.042 0.000 1.035 229 E HN -0.024 nan 8.360 nan 0.000 0.408 230 P HA 0.033 nan 4.420 nan 0.000 0.282 230 P C -1.097 175.990 177.300 -0.355 0.000 1.249 230 P CA -0.279 62.751 63.100 -0.118 0.000 0.806 230 P CB 0.415 32.092 31.700 -0.037 0.000 0.984 231 Y N 2.701 122.810 120.300 -0.318 0.000 2.650 231 Y HA 0.059 5.853 4.550 2.074 0.000 0.331 231 Y C -1.096 174.592 175.900 -0.354 0.000 1.165 231 Y CA -0.698 57.091 58.100 -0.518 0.000 1.473 231 Y CB -1.309 36.991 38.460 -0.266 0.000 1.224 231 Y HN 0.377 nan 8.280 nan 0.000 0.533 232 P HA -0.167 nan 4.420 nan 0.000 0.272 232 P C 0.961 178.238 177.300 -0.039 0.000 1.225 232 P CA 0.102 63.145 63.100 -0.096 0.000 0.800 232 P CB 0.848 32.521 31.700 -0.044 0.000 0.894 233 E N 0.510 120.696 120.200 -0.024 0.000 2.031 233 E HA -0.156 5.437 4.350 2.071 0.000 0.193 233 E C 1.959 178.541 176.600 -0.031 0.000 0.994 233 E CA 2.150 58.536 56.400 -0.024 0.000 0.800 233 E CB -0.716 28.974 29.700 -0.017 0.000 0.752 233 E HN 0.534 nan 8.360 nan 0.000 0.447 234 S N 0.544 116.230 115.700 -0.023 0.000 2.383 234 S HA -0.209 5.504 4.470 2.071 0.000 0.229 234 S C 1.931 176.498 174.600 -0.055 0.000 1.030 234 S CA 1.581 59.760 58.200 -0.035 0.000 1.002 234 S CB -0.276 62.914 63.200 -0.017 0.000 0.829 234 S HN 0.180 nan 8.310 nan 0.000 0.467 235 E N 0.641 120.826 120.200 -0.024 0.000 2.478 235 E HA 0.107 5.700 4.350 2.071 0.000 0.198 235 E C 1.792 178.312 176.600 -0.134 0.000 1.046 235 E CA 0.589 56.968 56.400 -0.035 0.000 0.870 235 E CB -0.364 29.399 29.700 0.105 0.000 0.818 235 E HN 0.638 nan 8.360 nan 0.000 0.527 236 M N -0.452 119.083 119.600 -0.108 0.000 2.160 236 M HA -0.107 5.615 4.480 2.071 0.000 0.264 236 M C 1.830 178.041 176.300 -0.149 0.000 1.073 236 M CA 0.909 56.124 55.300 -0.141 0.000 1.142 236 M CB 0.074 32.623 32.600 -0.085 0.000 1.358 236 M HN 0.065 nan 8.290 nan 0.000 0.422 237 Q N 0.424 120.154 119.800 -0.118 0.000 2.152 237 Q HA -0.183 5.400 4.340 2.071 0.000 0.206 237 Q C 1.920 177.833 176.000 -0.145 0.000 0.985 237 Q CA 1.745 57.480 55.803 -0.112 0.000 0.863 237 Q CB -0.520 28.165 28.738 -0.089 0.000 0.904 237 Q HN 0.486 nan 8.270 nan 0.000 0.422 238 R N -0.540 119.835 120.500 -0.210 0.000 2.066 238 R HA 0.026 5.609 4.340 2.071 0.000 0.232 238 R C 2.415 178.643 176.300 -0.120 0.000 1.131 238 R CA 1.217 57.126 56.100 -0.320 0.000 0.955 238 R CB -0.222 29.770 30.300 -0.514 0.000 0.851 238 R HN 0.208 nan 8.270 nan 0.000 0.432 239 M N 0.432 119.917 119.600 -0.192 0.000 2.149 239 M HA -0.214 5.509 4.480 2.071 0.000 0.261 239 M C 2.276 178.413 176.300 -0.271 0.000 1.064 239 M CA 1.603 56.747 55.300 -0.260 0.000 1.102 239 M CB -0.584 31.776 32.600 -0.401 0.000 1.369 239 M HN 0.122 nan 8.290 nan 0.000 0.408 240 Q N 0.935 120.611 119.800 -0.206 0.000 2.084 240 Q HA -0.153 5.429 4.340 2.071 0.000 0.202 240 Q C 1.650 177.573 176.000 -0.128 0.000 0.978 240 Q CA 1.841 57.537 55.803 -0.179 0.000 0.844 240 Q CB -0.171 28.490 28.738 -0.130 0.000 0.898 240 Q HN 0.535 nan 8.270 nan 0.000 0.426 241 E N -0.382 119.788 120.200 -0.050 0.000 2.160 241 E HA -0.172 5.421 4.350 2.071 0.000 0.195 241 E C 1.924 178.521 176.600 -0.004 0.000 0.991 241 E CA 1.122 57.534 56.400 0.019 0.000 0.810 241 E CB -0.102 29.694 29.700 0.158 0.000 0.742 241 E HN 0.391 nan 8.360 nan 0.000 0.466 242 L N 0.215 121.428 121.223 -0.017 0.000 2.044 242 L HA -0.162 5.421 4.340 2.071 0.000 0.205 242 L C 2.387 179.161 176.870 -0.159 0.000 1.075 242 L CA 0.836 55.655 54.840 -0.034 0.000 0.747 242 L CB -0.351 41.734 42.059 0.044 0.000 0.903 242 L HN 0.161 nan 8.230 nan 0.000 0.435 243 I N 0.262 120.591 120.570 -0.402 0.000 2.127 243 I HA -0.328 5.085 4.170 2.071 0.000 0.241 243 I C 2.293 178.314 176.117 -0.161 0.000 1.075 243 I CA 1.362 62.424 61.300 -0.396 0.000 1.334 243 I CB -0.510 37.215 38.000 -0.457 0.000 1.040 243 I HN 0.308 nan 8.210 nan 0.000 0.405 244 N N 1.045 119.668 118.700 -0.128 0.000 2.069 244 N HA -0.176 5.806 4.740 2.071 0.000 0.191 244 N C 1.920 177.401 175.510 -0.049 0.000 1.031 244 N CA 1.810 54.814 53.050 -0.077 0.000 0.852 244 N CB -0.672 37.778 38.487 -0.061 0.000 1.018 244 N HN 0.414 nan 8.380 nan 0.000 0.423 245 A N 0.538 123.336 122.820 -0.038 0.000 1.940 245 A HA -0.111 5.452 4.320 2.071 0.000 0.219 245 A C 2.503 180.089 177.584 0.003 0.000 1.176 245 A CA 1.828 53.853 52.037 -0.021 0.000 0.631 245 A CB -0.749 18.231 19.000 -0.033 0.000 0.814 245 A HN 0.280 nan 8.150 nan 0.000 0.446 246 S N -0.125 115.601 115.700 0.042 0.000 2.348 246 S HA -0.074 5.638 4.470 2.071 0.000 0.221 246 S C 2.374 176.992 174.600 0.028 0.000 1.033 246 S CA 1.305 59.571 58.200 0.110 0.000 1.010 246 S CB -0.596 62.761 63.200 0.262 0.000 0.891 246 S HN 0.830 nan 8.310 nan 0.000 0.442 247 A N 2.321 125.135 122.820 -0.009 0.000 1.873 247 A HA -0.232 5.331 4.320 2.071 0.000 0.218 247 A C 1.996 179.513 177.584 -0.111 0.000 1.193 247 A CA 1.911 53.915 52.037 -0.055 0.000 0.629 247 A CB -0.872 18.095 19.000 -0.056 0.000 0.826 247 A HN 0.772 nan 8.150 nan 0.000 0.447 248 E N -0.785 119.363 120.200 -0.086 0.000 2.401 248 E HA -0.126 5.467 4.350 2.071 0.000 0.199 248 E C 0.575 177.066 176.600 -0.182 0.000 1.023 248 E CA 1.089 57.431 56.400 -0.097 0.000 0.859 248 E CB -0.319 29.362 29.700 -0.031 0.000 0.780 248 E HN 0.601 nan 8.360 nan 0.000 0.523 249 N N 0.546 119.116 118.700 -0.216 0.000 2.204 249 N HA 0.043 6.025 4.740 2.071 0.000 0.219 249 N C -0.492 174.674 175.510 -0.574 0.000 1.151 249 N CA -0.061 52.795 53.050 -0.324 0.000 0.867 249 N CB 0.715 39.211 38.487 0.016 0.000 1.043 249 N HN -0.016 nan 8.380 nan 0.000 0.516 250 K N -0.328 119.753 120.400 -0.532 0.000 3.130 250 K HA -0.123 5.440 4.320 2.071 0.000 0.282 250 K C -0.371 176.186 176.600 -0.073 0.000 1.145 250 K CA 0.312 56.370 56.287 -0.382 0.000 0.831 250 K CB -2.384 29.707 32.500 -0.681 0.000 1.226 250 K HN 0.046 nan 8.250 nan 0.000 0.478 251 V N 1.961 121.885 119.914 0.018 0.000 2.546 251 V HA 0.111 5.474 4.120 2.071 0.000 0.284 251 V C 0.618 176.808 176.094 0.160 0.000 1.050 251 V CA -0.563 61.831 62.300 0.157 0.000 0.981 251 V CB 1.421 33.401 31.823 0.263 0.000 0.990 251 V HN 0.050 nan 8.190 nan 0.000 0.474 252 D N 4.109 124.605 120.400 0.160 0.000 2.352 252 D HA 0.153 6.036 4.640 2.071 0.000 0.245 252 D C -0.288 176.144 176.300 0.220 0.000 1.224 252 D CA 0.055 54.151 54.000 0.160 0.000 0.879 252 D CB 0.669 41.537 40.800 0.112 0.000 1.057 252 D HN 0.414 nan 8.370 nan 0.000 0.491 253 F N 3.248 123.267 119.950 0.115 0.000 2.471 253 F HA 0.145 5.915 4.527 2.072 0.000 0.365 253 F C -0.289 175.527 175.800 0.026 0.000 1.095 253 F CA -0.372 57.710 58.000 0.137 0.000 1.174 253 F CB 0.503 39.582 39.000 0.131 0.000 1.105 253 F HN -0.001 nan 8.300 nan 0.000 0.535 254 V N 8.416 128.094 119.914 -0.394 0.000 2.347 254 V HA 0.185 5.548 4.120 2.071 0.000 0.280 254 V C -0.514 175.340 176.094 -0.400 0.000 1.021 254 V CA -0.809 61.327 62.300 -0.274 0.000 0.847 254 V CB 1.016 32.737 31.823 -0.169 0.000 0.990 254 V HN 0.604 nan 8.190 nan 0.000 0.444 255 F N 4.359 124.125 119.950 -0.307 0.000 2.404 255 F HA 0.745 6.512 4.527 2.067 0.000 0.358 255 F C 0.750 176.536 175.800 -0.025 0.000 1.120 255 F CA -0.407 57.543 58.000 -0.084 0.000 1.144 255 F CB 0.818 39.900 39.000 0.137 0.000 1.133 255 F HN 0.556 nan 8.300 nan 0.000 0.495 256 G N 6.334 114.696 108.800 -0.731 0.000 2.412 256 G HA2 0.582 5.784 3.960 2.071 0.000 0.318 256 G HA3 0.582 5.784 3.960 2.071 0.000 0.318 256 G C -1.728 172.851 174.900 -0.536 0.000 1.146 256 G CA -0.712 44.025 45.100 -0.605 0.000 0.882 256 G HN 0.850 nan 8.290 nan 0.000 0.501 257 I N -0.326 119.965 120.570 -0.464 0.000 2.656 257 I HA 0.552 5.965 4.170 2.071 0.000 0.292 257 I C -0.778 174.925 176.117 -0.689 0.000 1.144 257 I CA -0.600 60.405 61.300 -0.492 0.000 1.038 257 I CB 2.269 40.095 38.000 -0.290 0.000 1.244 257 I HN 0.345 nan 8.210 nan 0.000 0.420 258 S N 8.458 123.646 115.700 -0.853 0.000 2.399 258 S HA 0.399 6.112 4.470 2.071 0.000 0.215 258 S C -2.234 171.931 174.600 -0.725 0.000 1.456 258 S CA -0.786 56.982 58.200 -0.719 0.000 1.199 258 S CB 1.088 63.965 63.200 -0.538 0.000 1.063 258 S HN 0.617 nan 8.310 nan 0.000 0.476 259 P HA 0.195 nan 4.420 nan 0.000 0.261 259 P C 1.181 178.063 177.300 -0.698 0.000 1.268 259 P CA 0.069 62.197 63.100 -1.620 0.000 0.833 259 P CB 0.123 30.616 31.700 -2.011 0.000 1.231 260 G N 0.353 108.949 108.800 -0.342 0.000 2.712 260 G HA2 -0.066 5.137 3.960 2.071 0.000 0.212 260 G HA3 -0.066 5.137 3.960 2.071 0.000 0.212 260 G C 1.385 176.361 174.900 0.126 0.000 1.142 260 G CA 0.000 45.149 45.100 0.082 0.000 0.789 260 G HN 0.205 nan 8.290 nan 0.000 0.535 261 I N 1.168 121.772 120.570 0.057 0.000 2.394 261 I HA -0.051 5.362 4.170 2.071 0.000 0.251 261 I C 1.526 177.721 176.117 0.129 0.000 1.136 261 I CA 1.528 62.888 61.300 0.100 0.000 1.425 261 I CB 0.188 38.241 38.000 0.089 0.000 1.079 261 I HN 0.298 nan 8.210 nan 0.000 0.425 262 D N -1.017 119.480 120.400 0.162 0.000 2.583 262 D HA 0.080 5.962 4.640 2.071 0.000 0.282 262 D C 0.266 176.668 176.300 0.170 0.000 1.485 262 D CA -0.381 53.715 54.000 0.161 0.000 0.834 262 D CB -0.821 40.072 40.800 0.154 0.000 1.258 262 D HN 0.121 nan 8.370 nan 0.000 0.470 263 I N 1.164 121.815 120.570 0.135 0.000 2.815 263 I HA 0.106 5.518 4.170 2.071 0.000 0.291 263 I C -0.049 175.889 176.117 -0.299 0.000 1.209 263 I CA 0.094 61.428 61.300 0.056 0.000 1.431 263 I CB 0.383 38.299 38.000 -0.139 0.000 1.351 263 I HN -0.123 nan 8.210 nan 0.000 0.585 264 R N 5.583 125.963 120.500 -0.200 0.000 2.604 264 R HA 0.373 5.956 4.340 2.071 0.000 0.287 264 R C -0.425 175.693 176.300 -0.304 0.000 0.970 264 R CA -0.396 55.556 56.100 -0.246 0.000 0.946 264 R CB 1.176 31.469 30.300 -0.012 0.000 1.127 264 R HN 0.541 nan 8.270 nan 0.000 0.473 265 F N -0.925 119.118 119.950 0.154 0.000 2.602 265 F HA 0.219 5.988 4.527 2.070 0.000 0.284 265 F C 0.324 176.179 175.800 0.092 0.000 1.111 265 F CA -0.072 58.006 58.000 0.131 0.000 1.405 265 F CB 0.421 39.478 39.000 0.095 0.000 1.121 265 F HN 0.329 nan 8.300 nan 0.000 0.603 266 D N -0.319 120.220 120.400 0.231 0.000 2.268 266 D HA 0.462 6.344 4.640 2.071 0.000 0.249 266 D C 0.920 177.284 176.300 0.107 0.000 1.008 266 D CA 0.715 54.805 54.000 0.149 0.000 0.939 266 D CB 1.180 42.052 40.800 0.120 0.000 1.170 266 D HN 0.242 nan 8.370 nan 0.000 0.468 267 G N 1.537 110.385 108.800 0.079 0.000 2.581 267 G HA2 -0.329 4.874 3.960 2.071 0.000 0.291 267 G HA3 -0.329 4.874 3.960 2.071 0.000 0.291 267 G C 0.662 175.603 174.900 0.068 0.000 1.277 267 G CA 0.430 45.568 45.100 0.062 0.000 0.959 267 G HN 0.524 nan 8.290 nan 0.000 0.554 268 D N 0.381 120.817 120.400 0.059 0.000 2.178 268 D HA 0.068 5.950 4.640 2.071 0.000 0.202 268 D C 2.777 179.122 176.300 0.075 0.000 0.974 268 D CA 1.959 55.995 54.000 0.059 0.000 0.841 268 D CB -0.659 40.168 40.800 0.046 0.000 0.953 268 D HN 0.749 nan 8.370 nan 0.000 0.478 269 A N 0.851 123.718 122.820 0.079 0.000 1.898 269 A HA -0.007 5.555 4.320 2.071 0.000 0.216 269 A C 2.385 180.043 177.584 0.124 0.000 1.181 269 A CA 1.930 54.022 52.037 0.092 0.000 0.620 269 A CB -0.985 18.060 19.000 0.076 0.000 0.819 269 A HN 0.296 nan 8.150 nan 0.000 0.442 270 G N -0.686 108.191 108.800 0.129 0.000 2.422 270 G HA2 -0.201 5.002 3.960 2.071 0.000 0.218 270 G HA3 -0.201 5.002 3.960 2.071 0.000 0.218 270 G C 1.441 176.469 174.900 0.214 0.000 1.146 270 G CA 1.248 46.453 45.100 0.174 0.000 0.769 270 G HN 0.503 nan 8.290 nan 0.000 0.547 271 E N 0.506 120.802 120.200 0.159 0.000 2.106 271 E HA -0.032 5.561 4.350 2.071 0.000 0.192 271 E C 2.437 179.135 176.600 0.163 0.000 0.984 271 E CA 0.855 57.352 56.400 0.161 0.000 0.806 271 E CB -0.114 29.644 29.700 0.096 0.000 0.750 271 E HN 0.565 nan 8.360 nan 0.000 0.458 272 E N 0.025 120.302 120.200 0.127 0.000 2.028 272 E HA -0.168 5.425 4.350 2.071 0.000 0.191 272 E C 1.591 178.273 176.600 0.136 0.000 0.988 272 E CA 1.280 57.722 56.400 0.070 0.000 0.799 272 E CB -0.083 29.680 29.700 0.104 0.000 0.755 272 E HN 0.258 nan 8.360 nan 0.000 0.447 273 D N 0.103 120.687 120.400 0.307 0.000 2.144 273 D HA -0.141 5.741 4.640 2.071 0.000 0.199 273 D C 1.611 178.200 176.300 0.482 0.000 0.984 273 D CA 0.646 54.939 54.000 0.489 0.000 0.834 273 D CB -0.291 40.781 40.800 0.453 0.000 0.955 273 D HN 0.081 nan 8.370 nan 0.000 0.465 274 F N 1.771 121.872 119.950 0.253 0.000 2.146 274 F HA -0.132 5.638 4.527 2.072 0.000 0.298 274 F C 1.852 177.764 175.800 0.186 0.000 1.096 274 F CA 1.022 59.161 58.000 0.230 0.000 1.275 274 F CB -0.089 39.026 39.000 0.191 0.000 1.008 274 F HN -0.131 nan 8.300 nan 0.000 0.480 275 N N -0.255 118.542 118.700 0.161 0.000 2.223 275 N HA -0.204 5.779 4.740 2.071 0.000 0.185 275 N C 1.754 177.213 175.510 -0.086 0.000 1.016 275 N CA 1.361 54.405 53.050 -0.011 0.000 0.863 275 N CB -0.824 37.651 38.487 -0.021 0.000 0.983 275 N HN 0.446 nan 8.380 nan 0.000 0.429 276 H N 1.123 120.236 119.070 0.073 0.000 2.352 276 H HA -0.006 5.792 4.556 2.071 0.000 0.299 276 H C 2.315 177.729 175.328 0.142 0.000 1.097 276 H CA 0.731 56.825 56.048 0.076 0.000 1.311 276 H CB -0.316 29.445 29.762 -0.002 0.000 1.377 276 H HN 0.198 nan 8.280 nan 0.000 0.504 277 L N 0.088 121.462 121.223 0.253 0.000 2.012 277 L HA -0.190 5.392 4.340 2.071 0.000 0.210 277 L C 2.615 179.461 176.870 -0.039 0.000 1.073 277 L CA 0.771 55.646 54.840 0.058 0.000 0.748 277 L CB -0.384 41.561 42.059 -0.191 0.000 0.891 277 L HN 0.196 nan 8.230 nan 0.000 0.431 278 I N -0.086 120.382 120.570 -0.171 0.000 2.163 278 I HA -0.273 5.140 4.170 2.071 0.000 0.243 278 I C 2.586 178.689 176.117 -0.024 0.000 1.085 278 I CA 1.832 63.051 61.300 -0.135 0.000 1.347 278 I CB -1.316 36.617 38.000 -0.111 0.000 1.044 278 I HN 0.314 nan 8.210 nan 0.000 0.408 279 T N 0.505 115.072 114.554 0.022 0.000 2.684 279 T HA -0.230 5.363 4.350 2.071 0.000 0.267 279 T C 1.975 176.729 174.700 0.090 0.000 1.036 279 T CA 1.811 63.949 62.100 0.062 0.000 1.148 279 T CB -0.167 68.740 68.868 0.065 0.000 0.863 279 T HN 0.119 nan 8.240 nan 0.000 0.436 280 K N 1.496 121.968 120.400 0.120 0.000 2.057 280 K HA 0.078 5.641 4.320 2.071 0.000 0.207 280 K C 2.245 178.917 176.600 0.119 0.000 1.049 280 K CA 1.333 57.715 56.287 0.157 0.000 0.931 280 K CB -0.602 32.056 32.500 0.263 0.000 0.714 280 K HN 0.265 nan 8.250 nan 0.000 0.440 281 A N 0.146 122.999 122.820 0.055 0.000 2.067 281 A HA -0.123 5.440 4.320 2.071 0.000 0.219 281 A C 1.929 179.565 177.584 0.087 0.000 1.158 281 A CA 1.588 53.572 52.037 -0.087 0.000 0.661 281 A CB -0.398 18.188 19.000 -0.690 0.000 0.801 281 A HN 0.470 nan 8.150 nan 0.000 0.452 282 E N -0.011 120.289 120.200 0.166 0.000 2.046 282 E HA -0.133 5.460 4.350 2.071 0.000 0.190 282 E C 2.426 179.178 176.600 0.253 0.000 0.982 282 E CA 1.287 57.866 56.400 0.299 0.000 0.800 282 E CB -0.095 29.720 29.700 0.191 0.000 0.756 282 E HN 0.762 nan 8.360 nan 0.000 0.449 283 S N 0.531 116.319 115.700 0.147 0.000 2.370 283 S HA -0.198 5.514 4.470 2.071 0.000 0.226 283 S C 1.996 176.638 174.600 0.070 0.000 1.033 283 S CA 1.054 59.309 58.200 0.092 0.000 1.011 283 S CB -0.431 62.802 63.200 0.054 0.000 0.852 283 S HN 0.157 nan 8.310 nan 0.000 0.457 284 L N -0.347 120.910 121.223 0.056 0.000 2.156 284 L HA 0.090 5.672 4.340 2.071 0.000 0.208 284 L C 2.510 179.499 176.870 0.200 0.000 1.095 284 L CA 1.358 56.194 54.840 -0.006 0.000 0.770 284 L CB -0.743 41.160 42.059 -0.261 0.000 0.914 284 L HN 0.362 nan 8.230 nan 0.000 0.439 285 Y N 0.889 121.391 120.300 0.336 0.000 2.165 285 Y HA -0.308 5.485 4.550 2.071 0.000 0.286 285 Y C 2.158 178.155 175.900 0.162 0.000 1.155 285 Y CA 1.846 60.178 58.100 0.387 0.000 1.164 285 Y CB -0.150 38.569 38.460 0.431 0.000 0.978 285 Y HN 0.241 nan 8.280 nan 0.000 0.513 286 D N -0.391 120.128 120.400 0.197 0.000 2.348 286 D HA -0.102 5.780 4.640 2.071 0.000 0.216 286 D C 1.706 177.982 176.300 -0.040 0.000 0.970 286 D CA 1.014 55.059 54.000 0.074 0.000 0.889 286 D CB -0.132 40.735 40.800 0.111 0.000 0.912 286 D HN 0.488 nan 8.370 nan 0.000 0.524 287 M N -0.966 118.596 119.600 -0.063 0.000 2.495 287 M HA 0.135 5.858 4.480 2.071 0.000 0.237 287 M C 1.118 177.321 176.300 -0.160 0.000 1.131 287 M CA 0.382 55.612 55.300 -0.118 0.000 1.032 287 M CB 0.887 33.397 32.600 -0.150 0.000 1.513 287 M HN 0.132 nan 8.290 nan 0.000 0.488 288 G N 0.087 108.771 108.800 -0.194 0.000 2.211 288 G HA2 -0.185 5.017 3.960 2.071 0.000 0.201 288 G HA3 -0.185 5.017 3.960 2.071 0.000 0.201 288 G C 0.071 174.865 174.900 -0.176 0.000 0.997 288 G CA -0.389 44.585 45.100 -0.210 0.000 0.652 288 G HN 0.234 nan 8.290 nan 0.000 0.500 289 V N 2.148 121.986 119.914 -0.126 0.000 2.493 289 V HA 0.308 5.671 4.120 2.071 0.000 0.292 289 V C 1.334 177.447 176.094 0.032 0.000 1.016 289 V CA 0.445 62.719 62.300 -0.043 0.000 1.097 289 V CB 1.103 32.909 31.823 -0.027 0.000 0.947 289 V HN 0.337 nan 8.190 nan 0.000 0.479 290 R N 2.187 122.705 120.500 0.029 0.000 2.535 290 R HA 0.322 5.904 4.340 2.071 0.000 0.323 290 R C -0.113 176.293 176.300 0.176 0.000 0.979 290 R CA -0.048 56.174 56.100 0.203 0.000 1.120 290 R CB 1.047 31.438 30.300 0.153 0.000 1.306 290 R HN 0.603 nan 8.270 nan 0.000 0.540 291 S N 0.589 116.217 115.700 -0.120 0.000 2.557 291 S HA 0.675 6.388 4.470 2.071 0.000 0.291 291 S C -1.140 173.223 174.600 -0.395 0.000 1.116 291 S CA -0.448 57.727 58.200 -0.042 0.000 0.992 291 S CB 1.456 64.697 63.200 0.068 0.000 1.028 291 S HN 0.017 nan 8.310 nan 0.000 0.484 292 F N 1.252 121.357 119.950 0.259 0.000 2.563 292 F HA 0.816 6.592 4.527 2.082 0.000 0.316 292 F C 0.223 176.004 175.800 -0.032 0.000 1.076 292 F CA -0.801 57.299 58.000 0.167 0.000 0.921 292 F CB 1.786 40.951 39.000 0.275 0.000 1.209 292 F HN 0.628 nan 8.300 nan 0.000 0.462 293 A N 2.974 125.732 122.820 -0.104 0.000 2.393 293 A HA 0.893 6.456 4.320 2.071 0.000 0.306 293 A C -1.253 175.933 177.584 -0.663 0.000 1.050 293 A CA -0.596 51.175 52.037 -0.443 0.000 0.724 293 A CB 1.057 19.589 19.000 -0.779 0.000 1.248 293 A HN 0.702 nan 8.150 nan 0.000 0.424 294 I N 1.938 122.126 120.570 -0.637 0.000 2.447 294 I HA 0.339 5.752 4.170 2.071 0.000 0.287 294 I C -1.352 174.355 176.117 -0.683 0.000 1.023 294 I CA -0.272 60.594 61.300 -0.723 0.000 1.083 294 I CB 1.598 39.214 38.000 -0.640 0.000 1.245 294 I HN 0.699 nan 8.210 nan 0.000 0.434 295 Y N 3.995 123.832 120.300 -0.771 0.000 2.364 295 Y HA 0.217 6.004 4.550 2.061 0.000 0.340 295 Y C -0.335 175.097 175.900 -0.780 0.000 0.975 295 Y CA -0.776 56.969 58.100 -0.591 0.000 1.089 295 Y CB 2.225 40.492 38.460 -0.321 0.000 1.192 295 Y HN 0.640 nan 8.280 nan 0.000 0.454 296 W N 1.982 123.283 121.300 0.001 0.000 2.818 296 W HA 0.103 6.009 4.660 2.076 0.000 0.403 296 W C -0.164 176.283 176.519 -0.119 0.000 0.991 296 W CA -0.585 56.684 57.345 -0.126 0.000 1.925 296 W CB 0.433 29.793 29.460 -0.166 0.000 1.166 296 W HN 0.412 nan 8.180 nan 0.000 0.605 297 D N -0.224 120.152 120.400 -0.041 0.000 2.304 297 D HA 0.084 5.967 4.640 2.071 0.000 0.247 297 D C 0.240 176.520 176.300 -0.034 0.000 1.089 297 D CA 0.002 53.939 54.000 -0.104 0.000 0.910 297 D CB 1.288 41.733 40.800 -0.592 0.000 1.199 297 D HN -0.078 nan 8.370 nan 0.000 0.426 298 D N -0.861 119.574 120.400 0.059 0.000 3.017 298 D HA -0.140 5.742 4.640 2.071 0.000 0.220 298 D C -0.152 176.174 176.300 0.045 0.000 1.141 298 D CA 0.707 54.736 54.000 0.048 0.000 0.848 298 D CB -1.560 39.286 40.800 0.077 0.000 1.102 298 D HN 0.662 nan 8.370 nan 0.000 0.427 299 I N -4.170 116.430 120.570 0.050 0.000 2.846 299 I HA 0.433 5.846 4.170 2.071 0.000 0.307 299 I C 1.129 177.281 176.117 0.059 0.000 1.053 299 I CA -0.977 60.367 61.300 0.074 0.000 1.050 299 I CB 1.703 39.780 38.000 0.129 0.000 1.239 299 I HN -0.381 nan 8.210 nan 0.000 0.439 300 Q N 1.348 121.190 119.800 0.069 0.000 2.137 300 Q HA 0.004 5.586 4.340 2.071 0.000 0.198 300 Q C -0.138 175.911 176.000 0.080 0.000 0.960 300 Q CA 1.065 56.898 55.803 0.050 0.000 0.847 300 Q CB -0.285 28.480 28.738 0.046 0.000 0.915 300 Q HN 0.815 nan 8.270 nan 0.000 0.448 301 D N 1.189 121.680 120.400 0.152 0.000 2.425 301 D HA -0.006 5.877 4.640 2.071 0.000 0.247 301 D C -0.427 176.005 176.300 0.219 0.000 1.147 301 D CA 0.409 54.533 54.000 0.206 0.000 0.879 301 D CB 0.494 41.500 40.800 0.344 0.000 1.179 301 D HN -0.174 nan 8.370 nan 0.000 0.456 302 K N 2.170 122.640 120.400 0.117 0.000 3.271 302 K HA 0.197 5.759 4.320 2.071 0.000 0.192 302 K C -0.770 175.842 176.600 0.021 0.000 1.108 302 K CA -0.433 55.926 56.287 0.121 0.000 0.902 302 K CB 0.930 33.456 32.500 0.044 0.000 0.889 302 K HN 0.156 nan 8.250 nan 0.000 0.520 303 S N 1.841 117.356 115.700 -0.308 0.000 3.483 303 S HA 0.139 5.852 4.470 2.071 0.000 0.274 303 S C 1.376 175.472 174.600 -0.841 0.000 1.289 303 S CA -0.332 57.569 58.200 -0.497 0.000 0.938 303 S CB 0.544 63.428 63.200 -0.526 0.000 1.453 303 S HN 0.560 nan 8.310 nan 0.000 0.494 304 A N 3.476 125.940 122.820 -0.594 0.000 1.873 304 A HA -0.138 5.424 4.320 2.071 0.000 0.218 304 A C 2.345 179.603 177.584 -0.544 0.000 1.193 304 A CA 1.969 53.543 52.037 -0.771 0.000 0.629 304 A CB -1.077 17.413 19.000 -0.850 0.000 0.826 304 A HN 0.777 nan 8.150 nan 0.000 0.447 305 A N -0.583 121.963 122.820 -0.457 0.000 1.877 305 A HA -0.178 5.385 4.320 2.071 0.000 0.216 305 A C 2.124 179.454 177.584 -0.424 0.000 1.186 305 A CA 1.975 53.784 52.037 -0.380 0.000 0.620 305 A CB -0.468 18.362 19.000 -0.284 0.000 0.822 305 A HN 0.559 nan 8.150 nan 0.000 0.443 306 K N -1.076 118.977 120.400 -0.579 0.000 2.097 306 K HA -0.137 5.425 4.320 2.071 0.000 0.206 306 K C 1.850 178.065 176.600 -0.641 0.000 1.049 306 K CA 1.576 57.423 56.287 -0.733 0.000 0.933 306 K CB -0.354 31.353 32.500 -1.321 0.000 0.717 306 K HN 0.773 nan 8.250 nan 0.000 0.442 307 H N -0.292 118.304 119.070 -0.791 0.000 2.270 307 H HA -0.114 5.686 4.556 2.073 0.000 0.299 307 H C 2.189 177.246 175.328 -0.452 0.000 1.077 307 H CA 0.817 56.313 56.048 -0.920 0.000 1.294 307 H CB -0.022 29.087 29.762 -1.089 0.000 1.371 307 H HN 0.266 nan 8.280 nan 0.000 0.491 308 A N 0.958 123.573 122.820 -0.343 0.000 1.933 308 A HA -0.240 5.322 4.320 2.071 0.000 0.218 308 A C 2.224 179.709 177.584 -0.166 0.000 1.175 308 A CA 1.681 53.461 52.037 -0.428 0.000 0.628 308 A CB -0.492 18.087 19.000 -0.701 0.000 0.814 308 A HN 0.428 nan 8.150 nan 0.000 0.444 309 Q N -0.672 119.039 119.800 -0.149 0.000 2.050 309 Q HA -0.109 5.473 4.340 2.071 0.000 0.202 309 Q C 2.120 178.161 176.000 0.069 0.000 0.980 309 Q CA 1.743 57.508 55.803 -0.062 0.000 0.840 309 Q CB -0.339 28.339 28.738 -0.099 0.000 0.898 309 Q HN 0.455 nan 8.270 nan 0.000 0.424 310 V N 0.920 120.939 119.914 0.175 0.000 2.282 310 V HA -0.313 5.049 4.120 2.071 0.000 0.249 310 V C 2.158 178.515 176.094 0.438 0.000 1.057 310 V CA 1.732 64.278 62.300 0.409 0.000 1.032 310 V CB -0.558 31.643 31.823 0.630 0.000 0.645 310 V HN 0.385 nan 8.190 nan 0.000 0.447 311 L N -0.047 121.390 121.223 0.356 0.000 2.012 311 L HA -0.200 5.383 4.340 2.071 0.000 0.210 311 L C 2.504 179.551 176.870 0.296 0.000 1.073 311 L CA 1.739 56.775 54.840 0.327 0.000 0.748 311 L CB -0.791 41.433 42.059 0.275 0.000 0.891 311 L HN 0.383 nan 8.230 nan 0.000 0.431 312 N N -0.235 118.571 118.700 0.176 0.000 2.120 312 N HA -0.182 5.800 4.740 2.071 0.000 0.188 312 N C 1.914 177.520 175.510 0.160 0.000 1.024 312 N CA 1.087 54.216 53.050 0.131 0.000 0.852 312 N CB -0.304 38.205 38.487 0.037 0.000 1.003 312 N HN 0.207 nan 8.380 nan 0.000 0.424 313 R N -0.230 120.364 120.500 0.156 0.000 2.081 313 R HA -0.067 5.515 4.340 2.071 0.000 0.235 313 R C 2.088 178.625 176.300 0.395 0.000 1.131 313 R CA 0.819 56.980 56.100 0.103 0.000 0.960 313 R CB -0.530 29.608 30.300 -0.271 0.000 0.856 313 R HN 0.238 nan 8.270 nan 0.000 0.436 314 F N 1.932 122.165 119.950 0.472 0.000 2.134 314 F HA -0.250 5.519 4.527 2.071 0.000 0.299 314 F C 2.122 178.078 175.800 0.260 0.000 1.097 314 F CA 1.931 60.169 58.000 0.396 0.000 1.264 314 F CB -0.441 38.685 39.000 0.210 0.000 1.001 314 F HN 0.060 nan 8.300 nan 0.000 0.479 315 N N 0.527 119.482 118.700 0.426 0.000 2.061 315 N HA -0.267 5.715 4.740 2.071 0.000 0.193 315 N C 1.813 177.399 175.510 0.127 0.000 1.030 315 N CA 1.870 55.084 53.050 0.275 0.000 0.856 315 N CB -0.349 38.285 38.487 0.245 0.000 1.023 315 N HN 0.487 nan 8.380 nan 0.000 0.424 316 E N 0.452 120.722 120.200 0.117 0.000 2.015 316 E HA -0.078 5.515 4.350 2.071 0.000 0.191 316 E C 1.212 177.827 176.600 0.025 0.000 0.991 316 E CA 1.466 57.903 56.400 0.061 0.000 0.802 316 E CB -0.145 29.588 29.700 0.056 0.000 0.759 316 E HN 0.496 nan 8.360 nan 0.000 0.447 317 E N -1.597 118.639 120.200 0.060 0.000 2.502 317 E HA 0.017 5.610 4.350 2.071 0.000 0.194 317 E C 0.701 177.280 176.600 -0.036 0.000 1.062 317 E CA 0.040 56.465 56.400 0.042 0.000 0.867 317 E CB 0.235 30.025 29.700 0.150 0.000 0.888 317 E HN 0.287 nan 8.360 nan 0.000 0.510 318 F N -1.215 118.528 119.950 -0.344 0.000 2.334 318 F HA 0.035 5.804 4.527 2.070 0.000 0.269 318 F C 1.704 177.257 175.800 -0.413 0.000 0.879 318 F CA 0.086 57.751 58.000 -0.557 0.000 1.102 318 F CB 0.212 38.522 39.000 -1.150 0.000 1.032 318 F HN -0.226 nan 8.300 nan 0.000 0.782 319 V N 1.638 121.503 119.914 -0.081 0.000 2.343 319 V HA -0.257 5.105 4.120 2.071 0.000 0.247 319 V C 1.862 177.945 176.094 -0.018 0.000 1.051 319 V CA 2.481 64.809 62.300 0.047 0.000 1.036 319 V CB -0.672 31.270 31.823 0.199 0.000 0.654 319 V HN 0.272 nan 8.190 nan 0.000 0.451 320 K N 0.407 120.789 120.400 -0.029 0.000 2.128 320 K HA 0.205 5.768 4.320 2.071 0.000 0.202 320 K C 2.277 178.828 176.600 -0.081 0.000 1.050 320 K CA 1.004 57.276 56.287 -0.025 0.000 0.966 320 K CB -0.373 32.129 32.500 0.003 0.000 0.759 320 K HN 0.354 nan 8.250 nan 0.000 0.454 321 A N 1.755 124.499 122.820 -0.126 0.000 2.084 321 A HA -0.216 5.346 4.320 2.071 0.000 0.221 321 A C 1.966 179.415 177.584 -0.225 0.000 1.161 321 A CA 1.775 53.716 52.037 -0.160 0.000 0.653 321 A CB -0.220 18.668 19.000 -0.186 0.000 0.802 321 A HN 0.092 nan 8.150 nan 0.000 0.457 322 K N -2.636 117.589 120.400 -0.292 0.000 2.335 322 K HA 0.289 5.852 4.320 2.071 0.000 0.195 322 K C 1.453 177.983 176.600 -0.116 0.000 1.058 322 K CA 1.020 57.105 56.287 -0.337 0.000 0.988 322 K CB 0.043 32.139 32.500 -0.673 0.000 0.880 322 K HN 0.547 nan 8.250 nan 0.000 0.513 323 G N 1.360 110.126 108.800 -0.056 0.000 2.623 323 G HA2 -0.388 4.815 3.960 2.071 0.000 0.241 323 G HA3 -0.388 4.815 3.960 2.071 0.000 0.241 323 G C 0.525 175.463 174.900 0.063 0.000 1.114 323 G CA 1.098 46.205 45.100 0.011 0.000 0.682 323 G HN 0.530 nan 8.290 nan 0.000 0.524 324 D N 0.700 121.160 120.400 0.099 0.000 2.460 324 D HA 0.393 6.276 4.640 2.071 0.000 0.229 324 D C 0.411 176.835 176.300 0.206 0.000 1.170 324 D CA -0.030 54.056 54.000 0.142 0.000 0.827 324 D CB 0.141 41.026 40.800 0.141 0.000 0.973 324 D HN 0.378 nan 8.370 nan 0.000 0.496 325 V N 0.620 120.668 119.914 0.223 0.000 2.513 325 V HA 0.225 5.588 4.120 2.071 0.000 0.299 325 V C 0.640 176.902 176.094 0.280 0.000 1.035 325 V CA -1.030 61.466 62.300 0.325 0.000 0.889 325 V CB 2.148 34.229 31.823 0.429 0.000 0.988 325 V HN -0.023 nan 8.190 nan 0.000 0.440 326 K N 3.720 124.292 120.400 0.287 0.000 2.132 326 K HA 0.318 5.880 4.320 2.071 0.000 0.240 326 K C -2.374 174.392 176.600 0.277 0.000 1.036 326 K CA -1.339 55.096 56.287 0.248 0.000 0.888 326 K CB -0.009 32.627 32.500 0.228 0.000 1.071 326 K HN 0.388 nan 8.250 nan 0.000 0.502 327 P HA -0.052 nan 4.420 nan 0.000 0.265 327 P C -0.341 177.118 177.300 0.265 0.000 1.187 327 P CA 0.167 63.410 63.100 0.237 0.000 0.766 327 P CB 0.379 32.203 31.700 0.207 0.000 0.820 328 L N 3.781 125.170 121.223 0.276 0.000 2.490 328 L HA 0.134 5.717 4.340 2.071 0.000 0.274 328 L C 0.141 177.114 176.870 0.171 0.000 1.201 328 L CA 0.127 55.133 54.840 0.277 0.000 0.869 328 L CB 0.050 42.289 42.059 0.300 0.000 1.123 328 L HN 0.295 nan 8.230 nan 0.000 0.484 329 I N 3.651 124.284 120.570 0.104 0.000 2.460 329 I HA 0.393 5.806 4.170 2.071 0.000 0.298 329 I C 0.186 176.336 176.117 0.055 0.000 0.989 329 I CA -0.003 61.314 61.300 0.028 0.000 1.173 329 I CB 1.941 39.915 38.000 -0.043 0.000 1.338 329 I HN 0.515 nan 8.210 nan 0.000 0.456 330 T N 4.378 119.034 114.554 0.170 0.000 2.816 330 T HA 0.664 6.257 4.350 2.071 0.000 0.299 330 T C -1.883 173.034 174.700 0.361 0.000 1.230 330 T CA -0.546 61.737 62.100 0.305 0.000 1.007 330 T CB 1.925 71.040 68.868 0.412 0.000 1.289 330 T HN 0.378 nan 8.240 nan 0.000 0.508 331 V N 4.139 124.277 119.914 0.373 0.000 2.612 331 V HA 0.737 6.099 4.120 2.071 0.000 0.301 331 V C -2.784 173.424 176.094 0.190 0.000 1.059 331 V CA -2.117 60.264 62.300 0.134 0.000 0.886 331 V CB 2.324 34.004 31.823 -0.237 0.000 1.007 331 V HN 0.764 nan 8.190 nan 0.000 0.426 332 P HA 0.396 nan 4.420 nan 0.000 0.277 332 P C 0.714 178.048 177.300 0.057 0.000 1.271 332 P CA -0.033 63.013 63.100 -0.090 0.000 0.795 332 P CB 0.761 32.075 31.700 -0.644 0.000 1.101 333 T N -1.774 112.727 114.554 -0.090 0.000 2.904 333 T HA -0.049 5.544 4.350 2.071 0.000 0.267 333 T C 0.301 174.785 174.700 -0.361 0.000 1.059 333 T CA 1.214 63.199 62.100 -0.192 0.000 1.137 333 T CB -0.400 68.241 68.868 -0.377 0.000 0.879 333 T HN 0.467 nan 8.240 nan 0.000 0.467 334 E N 1.256 121.124 120.200 -0.553 0.000 2.105 334 E HA 0.232 5.824 4.350 2.071 0.000 0.285 334 E C -0.339 176.163 176.600 -0.165 0.000 1.055 334 E CA -0.294 55.873 56.400 -0.388 0.000 0.843 334 E CB 0.437 29.990 29.700 -0.245 0.000 1.067 334 E HN 0.705 nan 8.360 nan 0.000 0.398 335 Y N 0.605 120.848 120.300 -0.094 0.000 2.610 335 Y HA 0.213 6.009 4.550 2.078 0.000 0.254 335 Y C -0.088 175.865 175.900 0.089 0.000 1.110 335 Y CA -0.846 57.241 58.100 -0.020 0.000 1.238 335 Y CB 0.539 38.908 38.460 -0.151 0.000 1.322 335 Y HN 0.251 nan 8.280 nan 0.000 0.547 336 D N -0.020 120.324 120.400 -0.094 0.000 2.350 336 D HA 0.180 6.063 4.640 2.071 0.000 0.238 336 D C 0.189 176.562 176.300 0.123 0.000 0.989 336 D CA -0.378 53.692 54.000 0.117 0.000 0.921 336 D CB 2.355 43.148 40.800 -0.012 0.000 1.297 336 D HN -0.002 nan 8.370 nan 0.000 0.490 337 T N 1.207 115.908 114.554 0.245 0.000 2.720 337 T HA -0.092 5.501 4.350 2.071 0.000 0.268 337 T C 1.897 176.630 174.700 0.055 0.000 1.037 337 T CA 1.798 63.997 62.100 0.166 0.000 1.144 337 T CB -0.655 68.338 68.868 0.208 0.000 0.864 337 T HN 0.727 nan 8.240 nan 0.000 0.444 338 G N 0.989 109.805 108.800 0.027 0.000 2.469 338 G HA2 -0.081 5.121 3.960 2.071 0.000 0.220 338 G HA3 -0.081 5.121 3.960 2.071 0.000 0.220 338 G C 1.659 176.520 174.900 -0.064 0.000 1.136 338 G CA 0.911 46.000 45.100 -0.018 0.000 0.759 338 G HN 0.626 nan 8.290 nan 0.000 0.562 339 A N -0.325 122.428 122.820 -0.111 0.000 2.132 339 A HA 0.435 5.998 4.320 2.071 0.000 0.213 339 A C 2.215 179.729 177.584 -0.117 0.000 1.154 339 A CA 0.903 52.837 52.037 -0.170 0.000 0.753 339 A CB -0.036 18.767 19.000 -0.329 0.000 0.826 339 A HN 0.383 nan 8.150 nan 0.000 0.469 340 M N -1.022 118.548 119.600 -0.051 0.000 2.461 340 M HA 0.193 5.915 4.480 2.071 0.000 0.255 340 M C -0.623 175.680 176.300 0.005 0.000 1.137 340 M CA 0.571 55.871 55.300 0.001 0.000 1.086 340 M CB 1.045 33.679 32.600 0.057 0.000 1.356 340 M HN -0.006 nan 8.290 nan 0.000 0.487 341 V N -0.225 119.686 119.914 -0.005 0.000 2.638 341 V HA 0.449 5.812 4.120 2.071 0.000 0.306 341 V C -0.880 175.206 176.094 -0.013 0.000 1.052 341 V CA -0.738 61.558 62.300 -0.007 0.000 0.885 341 V CB 1.949 33.772 31.823 -0.000 0.000 0.999 341 V HN 0.115 nan 8.190 nan 0.000 0.424 342 S N 3.996 119.686 115.700 -0.016 0.000 2.519 342 S HA 0.492 6.205 4.470 2.071 0.000 0.309 342 S C 0.104 174.695 174.600 -0.016 0.000 1.100 342 S CA -0.563 57.627 58.200 -0.017 0.000 1.059 342 S CB 0.549 63.736 63.200 -0.020 0.000 1.008 342 S HN 0.836 nan 8.310 nan 0.000 0.478 343 N N 3.137 121.830 118.700 -0.012 0.000 2.689 343 N HA -0.201 5.781 4.740 2.071 0.000 0.263 343 N C 0.989 176.491 175.510 -0.013 0.000 0.987 343 N CA 1.506 54.550 53.050 -0.011 0.000 0.782 343 N CB -1.523 36.957 38.487 -0.012 0.000 0.903 343 N HN 1.402 nan 8.380 nan 0.000 0.547 344 G N -1.582 107.210 108.800 -0.012 0.000 2.196 344 G HA2 -0.350 4.853 3.960 2.071 0.000 0.268 344 G HA3 -0.350 4.853 3.960 2.071 0.000 0.268 344 G C -0.091 174.794 174.900 -0.025 0.000 0.975 344 G CA 0.769 45.859 45.100 -0.017 0.000 0.648 344 G HN 0.519 nan 8.290 nan 0.000 0.538 345 Q N 0.308 120.093 119.800 -0.025 0.000 2.342 345 Q HA 0.458 6.040 4.340 2.071 0.000 0.267 345 Q C -2.541 173.440 176.000 -0.032 0.000 1.038 345 Q CA -2.097 53.687 55.803 -0.032 0.000 0.832 345 Q CB 2.389 31.109 28.738 -0.031 0.000 1.323 345 Q HN 0.214 nan 8.270 nan 0.000 0.448 346 P HA 0.059 nan 4.420 nan 0.000 0.267 346 P C -0.314 176.970 177.300 -0.027 0.000 1.205 346 P CA 0.156 63.233 63.100 -0.039 0.000 0.765 346 P CB 0.709 32.366 31.700 -0.071 0.000 0.828 347 R N 2.234 122.729 120.500 -0.010 0.000 2.801 347 R HA 0.231 5.814 4.340 2.071 0.000 0.273 347 R C 1.832 178.137 176.300 0.008 0.000 1.080 347 R CA -0.137 55.962 56.100 -0.003 0.000 1.197 347 R CB -0.146 30.154 30.300 0.000 0.000 1.109 347 R HN 0.438 nan 8.270 nan 0.000 0.535 348 A N 1.288 124.111 122.820 0.005 0.000 1.892 348 A HA -0.268 5.295 4.320 2.071 0.000 0.218 348 A C 2.047 179.630 177.584 -0.002 0.000 1.188 348 A CA 1.740 53.772 52.037 -0.009 0.000 0.631 348 A CB -0.920 18.071 19.000 -0.015 0.000 0.822 348 A HN 0.880 nan 8.150 nan 0.000 0.447 349 Y N 0.945 121.210 120.300 -0.058 0.000 2.053 349 Y HA -0.268 5.524 4.550 2.070 0.000 0.277 349 Y C 2.774 178.668 175.900 -0.010 0.000 1.159 349 Y CA 2.712 60.781 58.100 -0.051 0.000 1.125 349 Y CB -0.757 37.661 38.460 -0.069 0.000 0.969 349 Y HN 0.313 nan 8.280 nan 0.000 0.492 350 T N 0.885 115.571 114.554 0.219 0.000 2.684 350 T HA -0.270 5.323 4.350 2.071 0.000 0.267 350 T C 1.896 176.568 174.700 -0.046 0.000 1.036 350 T CA 1.867 64.048 62.100 0.135 0.000 1.148 350 T CB -0.420 68.519 68.868 0.119 0.000 0.863 350 T HN 0.401 nan 8.240 nan 0.000 0.436 351 R N 0.707 121.162 120.500 -0.076 0.000 2.080 351 R HA -0.080 5.502 4.340 2.071 0.000 0.236 351 R C 2.391 178.606 176.300 -0.142 0.000 1.137 351 R CA 1.737 57.763 56.100 -0.124 0.000 0.943 351 R CB -0.559 29.685 30.300 -0.093 0.000 0.846 351 R HN 0.387 nan 8.270 nan 0.000 0.431 352 I N 0.127 120.610 120.570 -0.146 0.000 2.163 352 I HA -0.272 5.141 4.170 2.071 0.000 0.243 352 I C 2.291 178.297 176.117 -0.185 0.000 1.085 352 I CA 1.426 62.621 61.300 -0.176 0.000 1.347 352 I CB -0.397 37.478 38.000 -0.208 0.000 1.044 352 I HN 0.197 nan 8.210 nan 0.000 0.408 353 F N 1.620 121.348 119.950 -0.369 0.000 2.069 353 F HA -0.286 5.483 4.527 2.070 0.000 0.298 353 F C 2.587 178.294 175.800 -0.154 0.000 1.113 353 F CA 1.698 59.523 58.000 -0.293 0.000 1.214 353 F CB -0.359 38.444 39.000 -0.328 0.000 0.978 353 F HN 0.018 nan 8.300 nan 0.000 0.474 354 A N 0.463 123.263 122.820 -0.034 0.000 1.927 354 A HA -0.322 5.240 4.320 2.071 0.000 0.220 354 A C 2.048 179.515 177.584 -0.195 0.000 1.185 354 A CA 2.291 54.108 52.037 -0.367 0.000 0.639 354 A CB -1.182 17.363 19.000 -0.759 0.000 0.820 354 A HN 0.718 nan 8.150 nan 0.000 0.451 355 E N -1.766 118.327 120.200 -0.178 0.000 2.385 355 E HA -0.024 5.568 4.350 2.071 0.000 0.194 355 E C 1.423 177.943 176.600 -0.133 0.000 1.013 355 E CA 1.177 57.495 56.400 -0.137 0.000 0.866 355 E CB -0.298 29.327 29.700 -0.125 0.000 0.832 355 E HN 0.457 nan 8.360 nan 0.000 0.500 356 T N 0.650 115.094 114.554 -0.184 0.000 2.983 356 T HA 0.075 5.668 4.350 2.071 0.000 0.250 356 T C 0.782 175.362 174.700 -0.199 0.000 1.037 356 T CA 0.132 62.113 62.100 -0.199 0.000 1.142 356 T CB 0.299 69.009 68.868 -0.263 0.000 0.876 356 T HN 0.041 nan 8.240 nan 0.000 0.455 357 V N 3.699 123.449 119.914 -0.273 0.000 2.540 357 V HA 0.058 5.421 4.120 2.071 0.000 0.297 357 V C -0.265 175.801 176.094 -0.047 0.000 1.024 357 V CA -0.411 61.758 62.300 -0.219 0.000 1.105 357 V CB 0.078 31.707 31.823 -0.323 0.000 0.938 357 V HN 0.351 nan 8.190 nan 0.000 0.482 358 D N 8.281 128.676 120.400 -0.008 0.000 2.515 358 D HA 0.028 5.911 4.640 2.071 0.000 0.232 358 D C -1.462 174.878 176.300 0.068 0.000 1.157 358 D CA -0.936 53.084 54.000 0.035 0.000 0.871 358 D CB 0.880 41.716 40.800 0.060 0.000 1.200 358 D HN 0.408 nan 8.370 nan 0.000 0.466 359 P HA -0.114 nan 4.420 nan 0.000 0.220 359 P C 0.995 178.357 177.300 0.103 0.000 1.148 359 P CA 1.173 64.326 63.100 0.088 0.000 0.803 359 P CB 0.174 31.914 31.700 0.067 0.000 0.782 360 S N -2.074 113.687 115.700 0.102 0.000 2.593 360 S HA 0.104 5.817 4.470 2.071 0.000 0.217 360 S C 0.666 175.347 174.600 0.135 0.000 0.966 360 S CA -0.170 58.099 58.200 0.114 0.000 0.914 360 S CB -0.901 62.364 63.200 0.110 0.000 0.776 360 S HN 0.002 nan 8.310 nan 0.000 0.523 361 I N 2.474 123.126 120.570 0.137 0.000 2.396 361 I HA 0.243 5.656 4.170 2.071 0.000 0.292 361 I C 0.164 176.359 176.117 0.130 0.000 0.999 361 I CA -0.489 60.901 61.300 0.151 0.000 1.310 361 I CB 1.057 39.153 38.000 0.161 0.000 1.404 361 I HN 0.167 nan 8.210 nan 0.000 0.496 362 E N 5.725 125.987 120.200 0.104 0.000 2.290 362 E HA 0.237 5.830 4.350 2.071 0.000 0.277 362 E C -0.956 175.658 176.600 0.025 0.000 1.035 362 E CA -0.242 56.178 56.400 0.034 0.000 0.873 362 E CB 1.776 31.425 29.700 -0.084 0.000 1.029 362 E HN 0.223 nan 8.360 nan 0.000 0.419 363 V N 4.911 124.824 119.914 -0.002 0.000 2.417 363 V HA 0.335 5.698 4.120 2.071 0.000 0.291 363 V C 0.321 176.421 176.094 0.010 0.000 1.024 363 V CA -0.645 61.645 62.300 -0.018 0.000 0.861 363 V CB 1.207 32.883 31.823 -0.245 0.000 0.985 363 V HN 0.578 nan 8.190 nan 0.000 0.436 364 M N 4.656 124.307 119.600 0.085 0.000 2.314 364 M HA 0.598 6.321 4.480 2.071 0.000 0.342 364 M C -0.546 175.942 176.300 0.314 0.000 1.171 364 M CA -0.154 55.260 55.300 0.191 0.000 1.098 364 M CB 1.435 34.140 32.600 0.175 0.000 1.559 364 M HN 0.901 nan 8.290 nan 0.000 0.459 365 W N 0.595 121.938 121.300 0.071 0.000 3.047 365 W HA 0.603 6.508 4.660 2.075 0.000 0.341 365 W C -0.110 176.522 176.519 0.189 0.000 1.225 365 W CA -0.632 56.778 57.345 0.108 0.000 1.150 365 W CB 0.942 30.457 29.460 0.091 0.000 1.470 365 W HN 0.710 nan 8.180 nan 0.000 0.578 366 T N -0.286 114.167 114.554 -0.167 0.000 3.069 366 T HA 0.527 6.119 4.350 2.071 0.000 0.252 366 T C 0.767 175.274 174.700 -0.322 0.000 1.053 366 T CA 0.551 62.545 62.100 -0.177 0.000 0.964 366 T CB -0.244 68.618 68.868 -0.011 0.000 1.005 366 T HN 1.902 nan 8.240 nan 0.000 0.532 367 G N 1.856 110.132 108.800 -0.874 0.000 2.396 367 G HA2 -0.024 5.178 3.960 2.071 0.000 0.254 367 G HA3 -0.024 5.178 3.960 2.071 0.000 0.254 367 G C -2.559 172.424 174.900 0.137 0.000 1.248 367 G CA -0.383 44.508 45.100 -0.349 0.000 1.033 367 G HN 0.004 nan 8.290 nan 0.000 0.502 368 P HA 0.180 nan 4.420 nan 0.000 0.222 368 P C 1.072 178.444 177.300 0.119 0.000 1.147 368 P CA 2.322 65.537 63.100 0.191 0.000 0.790 368 P CB 0.032 31.824 31.700 0.153 0.000 0.780 369 G N -2.653 106.201 108.800 0.090 0.000 2.727 369 G HA2 0.341 5.544 3.960 2.071 0.000 0.289 369 G HA3 0.341 5.544 3.960 2.071 0.000 0.289 369 G C 0.528 175.453 174.900 0.041 0.000 1.418 369 G CA -0.436 44.695 45.100 0.052 0.000 0.818 369 G HN -0.235 nan 8.290 nan 0.000 0.486 370 V N -0.673 119.274 119.914 0.056 0.000 2.283 370 V HA 0.036 5.398 4.120 2.071 0.000 0.243 370 V C 0.893 176.998 176.094 0.019 0.000 1.039 370 V CA 1.086 63.443 62.300 0.095 0.000 1.016 370 V CB -0.289 31.610 31.823 0.127 0.000 0.650 370 V HN 0.329 nan 8.190 nan 0.000 0.449 371 V N 0.237 120.156 119.914 0.008 0.000 2.376 371 V HA 0.587 5.949 4.120 2.071 0.000 0.287 371 V C -0.331 175.664 176.094 -0.166 0.000 1.015 371 V CA -0.055 62.123 62.300 -0.204 0.000 0.834 371 V CB 1.309 32.895 31.823 -0.395 0.000 1.001 371 V HN 0.431 nan 8.190 nan 0.000 0.428 372 T N 2.741 117.176 114.554 -0.199 0.000 2.903 372 T HA 0.325 5.918 4.350 2.071 0.000 0.299 372 T C 0.814 175.543 174.700 0.047 0.000 1.093 372 T CA -0.560 61.519 62.100 -0.034 0.000 1.002 372 T CB 1.690 70.591 68.868 0.054 0.000 1.127 372 T HN 0.558 nan 8.240 nan 0.000 0.488 373 N N 1.669 120.415 118.700 0.076 0.000 2.166 373 N HA 0.019 6.002 4.740 2.071 0.000 0.186 373 N C 0.100 175.725 175.510 0.191 0.000 1.019 373 N CA 1.198 54.314 53.050 0.110 0.000 0.856 373 N CB 0.169 38.696 38.487 0.067 0.000 0.993 373 N HN 0.680 nan 8.380 nan 0.000 0.426 374 E N -0.698 119.628 120.200 0.210 0.000 2.390 374 E HA 0.417 6.009 4.350 2.071 0.000 0.277 374 E C -0.850 175.837 176.600 0.146 0.000 0.939 374 E CA -0.486 55.990 56.400 0.127 0.000 0.769 374 E CB 2.399 32.120 29.700 0.035 0.000 1.251 374 E HN -0.082 nan 8.360 nan 0.000 0.450 375 I N 2.954 123.517 120.570 -0.011 0.000 2.503 375 I HA 0.255 5.667 4.170 2.071 0.000 0.277 375 I C -2.375 173.774 176.117 0.053 0.000 1.078 375 I CA -2.069 59.250 61.300 0.030 0.000 1.184 375 I CB 0.671 38.635 38.000 -0.060 0.000 1.353 375 I HN 0.084 nan 8.210 nan 0.000 0.490 376 P HA 0.036 nan 4.420 nan 0.000 0.272 376 P C 0.822 178.203 177.300 0.134 0.000 1.230 376 P CA -0.491 62.660 63.100 0.085 0.000 0.788 376 P CB 1.160 32.905 31.700 0.075 0.000 0.949 377 L N 2.718 124.023 121.223 0.136 0.000 2.021 377 L HA -0.276 5.306 4.340 2.071 0.000 0.215 377 L C 2.300 179.261 176.870 0.151 0.000 1.074 377 L CA 2.833 57.789 54.840 0.193 0.000 0.760 377 L CB -1.748 40.421 42.059 0.183 0.000 0.889 377 L HN 0.509 nan 8.230 nan 0.000 0.433 378 S N -1.788 113.970 115.700 0.097 0.000 2.400 378 S HA -0.266 5.447 4.470 2.071 0.000 0.232 378 S C 1.811 176.416 174.600 0.009 0.000 1.025 378 S CA 1.420 59.642 58.200 0.037 0.000 0.993 378 S CB -0.922 62.303 63.200 0.042 0.000 0.808 378 S HN 0.676 nan 8.310 nan 0.000 0.478 379 D N 1.891 122.345 120.400 0.090 0.000 2.123 379 D HA 0.110 5.992 4.640 2.071 0.000 0.200 379 D C 2.107 178.485 176.300 0.130 0.000 0.976 379 D CA 1.123 55.210 54.000 0.145 0.000 0.831 379 D CB -0.524 40.437 40.800 0.268 0.000 0.974 379 D HN 0.455 nan 8.370 nan 0.000 0.469 380 A N 0.231 123.183 122.820 0.219 0.000 1.940 380 A HA -0.259 5.304 4.320 2.071 0.000 0.219 380 A C 2.176 179.541 177.584 -0.365 0.000 1.176 380 A CA 1.826 53.944 52.037 0.135 0.000 0.631 380 A CB -0.834 18.406 19.000 0.399 0.000 0.814 380 A HN 0.440 nan 8.150 nan 0.000 0.446 381 Q N -0.908 118.550 119.800 -0.570 0.000 2.083 381 Q HA -0.147 5.436 4.340 2.071 0.000 0.198 381 Q C 2.034 177.737 176.000 -0.495 0.000 0.969 381 Q CA 1.558 56.744 55.803 -1.028 0.000 0.838 381 Q CB -0.237 28.068 28.738 -0.721 0.000 0.900 381 Q HN 0.544 nan 8.270 nan 0.000 0.436 382 L N 0.819 121.874 121.223 -0.281 0.000 2.012 382 L HA -0.199 5.383 4.340 2.071 0.000 0.210 382 L C 2.046 178.798 176.870 -0.196 0.000 1.073 382 L CA 1.625 56.360 54.840 -0.176 0.000 0.748 382 L CB -0.501 41.500 42.059 -0.095 0.000 0.891 382 L HN 0.297 nan 8.230 nan 0.000 0.431 383 I N -1.144 119.252 120.570 -0.290 0.000 2.333 383 I HA -0.148 5.264 4.170 2.071 0.000 0.246 383 I C 2.693 178.656 176.117 -0.257 0.000 1.106 383 I CA 1.489 62.572 61.300 -0.362 0.000 1.411 383 I CB -1.567 35.910 38.000 -0.871 0.000 1.082 383 I HN 0.381 nan 8.210 nan 0.000 0.420 384 S N 1.164 116.676 115.700 -0.312 0.000 2.356 384 S HA -0.129 5.583 4.470 2.071 0.000 0.223 384 S C 2.229 176.801 174.600 -0.048 0.000 1.032 384 S CA 1.684 59.806 58.200 -0.130 0.000 1.005 384 S CB -0.678 62.479 63.200 -0.073 0.000 0.867 384 S HN 0.498 nan 8.310 nan 0.000 0.449 385 G N 1.518 110.249 108.800 -0.115 0.000 2.469 385 G HA2 -0.175 5.027 3.960 2.071 0.000 0.219 385 G HA3 -0.175 5.027 3.960 2.071 0.000 0.219 385 G C 1.424 176.296 174.900 -0.047 0.000 1.150 385 G CA 1.070 46.133 45.100 -0.062 0.000 0.763 385 G HN 0.585 nan 8.290 nan 0.000 0.561 386 I N -1.088 119.444 120.570 -0.064 0.000 2.286 386 I HA -0.134 5.279 4.170 2.071 0.000 0.248 386 I C 1.833 177.845 176.117 -0.174 0.000 1.115 386 I CA 0.939 62.176 61.300 -0.105 0.000 1.392 386 I CB -0.060 37.875 38.000 -0.107 0.000 1.065 386 I HN 0.155 nan 8.210 nan 0.000 0.418 387 Y N 0.880 121.151 120.300 -0.048 0.000 2.468 387 Y HA 0.008 5.803 4.550 2.075 0.000 0.268 387 Y C 0.602 176.504 175.900 0.005 0.000 1.177 387 Y CA -0.857 57.241 58.100 -0.003 0.000 1.265 387 Y CB -0.412 38.056 38.460 0.013 0.000 1.103 387 Y HN 0.254 nan 8.280 nan 0.000 0.522 388 D N 1.995 122.449 120.400 0.089 0.000 6.610 388 D HA -0.255 5.627 4.640 2.071 0.000 0.176 388 D C -0.401 175.969 176.300 0.116 0.000 1.245 388 D CA 0.781 54.831 54.000 0.084 0.000 0.811 388 D CB -0.513 40.316 40.800 0.049 0.000 1.423 388 D HN 0.598 nan 8.370 nan 0.000 0.787 389 R N 0.584 121.168 120.500 0.140 0.000 2.734 389 R HA 0.495 6.077 4.340 2.071 0.000 0.271 389 R C -0.773 175.607 176.300 0.134 0.000 1.021 389 R CA -1.115 55.065 56.100 0.133 0.000 0.893 389 R CB 0.391 30.777 30.300 0.143 0.000 1.244 389 R HN -0.057 nan 8.270 nan 0.000 0.464 390 N N 1.340 120.124 118.700 0.140 0.000 2.411 390 N HA 0.036 6.018 4.740 2.071 0.000 0.261 390 N C -0.288 175.315 175.510 0.156 0.000 1.248 390 N CA 0.241 53.389 53.050 0.162 0.000 0.885 390 N CB 0.449 39.032 38.487 0.160 0.000 1.062 390 N HN 0.237 nan 8.380 nan 0.000 0.471 391 M N 1.687 121.392 119.600 0.174 0.000 2.368 391 M HA 0.455 6.177 4.480 2.071 0.000 0.311 391 M C 0.195 176.684 176.300 0.316 0.000 1.168 391 M CA -0.800 54.608 55.300 0.179 0.000 1.044 391 M CB 1.013 33.669 32.600 0.093 0.000 1.506 391 M HN 0.463 nan 8.290 nan 0.000 0.475 392 A N 1.582 124.569 122.820 0.278 0.000 2.325 392 A HA 0.732 6.295 4.320 2.071 0.000 0.333 392 A C -0.709 177.111 177.584 0.395 0.000 1.155 392 A CA -0.663 51.542 52.037 0.279 0.000 0.814 392 A CB 1.010 19.892 19.000 -0.196 0.000 1.206 392 A HN 0.586 nan 8.150 nan 0.000 0.482 393 V N 2.369 122.493 119.914 0.350 0.000 2.435 393 V HA 0.336 5.698 4.120 2.071 0.000 0.290 393 V C -0.784 175.383 176.094 0.121 0.000 1.030 393 V CA -0.495 61.908 62.300 0.171 0.000 0.881 393 V CB 1.574 33.477 31.823 0.134 0.000 0.983 393 V HN 0.869 nan 8.190 nan 0.000 0.445 394 W N 6.982 128.231 121.300 -0.087 0.000 2.282 394 W HA 0.325 6.256 4.660 2.119 0.000 0.322 394 W C -0.843 175.653 176.519 -0.039 0.000 1.011 394 W CA -1.741 55.534 57.345 -0.117 0.000 1.392 394 W CB 1.143 30.487 29.460 -0.193 0.000 1.215 394 W HN 0.733 nan 8.180 nan 0.000 0.394 395 W N 8.504 129.771 121.300 -0.056 0.000 2.332 395 W HA 0.178 6.073 4.660 2.057 0.000 0.306 395 W C -0.093 176.518 176.519 0.154 0.000 1.149 395 W CA -0.444 56.902 57.345 0.002 0.000 1.271 395 W CB 0.836 30.221 29.460 -0.124 0.000 1.243 395 W HN 0.252 nan 8.180 nan 0.000 0.459 396 N N 6.295 124.846 118.700 -0.248 0.000 3.254 396 N HA 0.004 5.987 4.740 2.071 0.000 0.308 396 N C -1.598 173.766 175.510 -0.243 0.000 1.281 396 N CA 0.393 53.373 53.050 -0.116 0.000 1.212 396 N CB -0.296 38.176 38.487 -0.026 0.000 1.478 396 N HN 0.421 nan 8.380 nan 0.000 0.548 397 Y N 0.476 120.562 120.300 -0.356 0.000 2.436 397 Y HA 0.274 6.066 4.550 2.070 0.000 0.327 397 Y C -2.383 173.575 175.900 0.097 0.000 1.138 397 Y CA -1.424 56.593 58.100 -0.139 0.000 1.042 397 Y CB 2.390 40.719 38.460 -0.219 0.000 1.302 397 Y HN 0.069 nan 8.280 nan 0.000 0.439 398 P HA 0.050 nan 4.420 nan 0.000 0.254 398 P C -0.002 177.126 177.300 -0.287 0.000 1.494 398 P CA 0.229 63.010 63.100 -0.532 0.000 0.961 398 P CB 0.442 31.982 31.700 -0.268 0.000 1.493 399 V N 2.128 121.989 119.914 -0.090 0.000 2.814 399 V HA 0.010 5.373 4.120 2.071 0.000 0.307 399 V C 1.135 177.171 176.094 -0.097 0.000 1.089 399 V CA 1.736 64.015 62.300 -0.035 0.000 1.212 399 V CB 0.344 32.249 31.823 0.136 0.000 0.912 399 V HN 0.383 nan 8.190 nan 0.000 0.497 400 T N 0.566 114.992 114.554 -0.212 0.000 3.231 400 T HA 0.179 5.772 4.350 2.071 0.000 0.292 400 T C 0.744 175.217 174.700 -0.378 0.000 1.001 400 T CA 0.279 62.138 62.100 -0.402 0.000 0.920 400 T CB -0.128 68.585 68.868 -0.258 0.000 1.140 400 T HN 0.832 nan 8.240 nan 0.000 0.525 401 D N 1.736 122.056 120.400 -0.134 0.000 2.310 401 D HA -0.167 5.716 4.640 2.071 0.000 0.212 401 D C 1.322 177.675 176.300 0.088 0.000 0.965 401 D CA 0.682 54.702 54.000 0.033 0.000 0.879 401 D CB -0.707 40.231 40.800 0.230 0.000 0.921 401 D HN 0.772 nan 8.370 nan 0.000 0.510 402 Y N -2.987 117.383 120.300 0.116 0.000 2.457 402 Y HA 0.440 6.231 4.550 2.067 0.000 0.263 402 Y C -0.053 175.950 175.900 0.172 0.000 1.164 402 Y CA -1.268 56.909 58.100 0.128 0.000 1.274 402 Y CB -0.048 38.463 38.460 0.086 0.000 1.097 402 Y HN -0.099 nan 8.280 nan 0.000 0.523 403 F N 1.465 121.134 119.950 -0.469 0.000 2.806 403 F HA 0.362 6.130 4.527 2.068 0.000 0.394 403 F C 0.394 175.998 175.800 -0.327 0.000 1.352 403 F CA -1.452 56.336 58.000 -0.352 0.000 1.122 403 F CB 0.241 38.995 39.000 -0.410 0.000 2.253 403 F HN -0.167 nan 8.300 nan 0.000 0.553 404 K N 0.281 120.503 120.400 -0.298 0.000 2.360 404 K HA -0.030 5.532 4.320 2.071 0.000 0.201 404 K C 2.043 178.422 176.600 -0.369 0.000 1.046 404 K CA 1.084 57.267 56.287 -0.173 0.000 0.945 404 K CB -0.027 32.541 32.500 0.114 0.000 0.750 404 K HN 0.628 nan 8.250 nan 0.000 0.464 405 G N 1.602 109.857 108.800 -0.907 0.000 2.471 405 G HA2 -0.188 5.014 3.960 2.071 0.000 0.219 405 G HA3 -0.188 5.014 3.960 2.071 0.000 0.219 405 G C 0.456 174.986 174.900 -0.616 0.000 1.125 405 G CA 0.183 44.541 45.100 -1.238 0.000 0.775 405 G HN 0.155 nan 8.290 nan 0.000 0.548 406 K N 0.101 120.225 120.400 -0.459 0.000 2.138 406 K HA 0.567 6.130 4.320 2.071 0.000 0.263 406 K C -0.564 175.976 176.600 -0.099 0.000 0.965 406 K CA -0.720 55.453 56.287 -0.190 0.000 0.868 406 K CB 0.989 33.488 32.500 -0.001 0.000 1.083 406 K HN -0.025 nan 8.250 nan 0.000 0.443 407 L N 2.799 123.984 121.223 -0.063 0.000 2.312 407 L HA 0.429 6.011 4.340 2.071 0.000 0.281 407 L C -0.075 176.766 176.870 -0.050 0.000 1.070 407 L CA -0.770 54.051 54.840 -0.031 0.000 0.805 407 L CB 1.634 43.681 42.059 -0.020 0.000 1.174 407 L HN 0.695 nan 8.230 nan 0.000 0.434 408 A N 4.178 126.954 122.820 -0.073 0.000 2.280 408 A HA 0.576 6.139 4.320 2.071 0.000 0.320 408 A C -0.070 177.499 177.584 -0.025 0.000 1.366 408 A CA -0.280 51.673 52.037 -0.140 0.000 0.938 408 A CB 0.273 18.985 19.000 -0.480 0.000 1.157 408 A HN 0.578 nan 8.150 nan 0.000 0.536 409 L N 2.822 124.107 121.223 0.104 0.000 3.168 409 L HA 0.308 5.891 4.340 2.071 0.000 0.277 409 L C 1.127 178.279 176.870 0.469 0.000 1.245 409 L CA 0.135 55.112 54.840 0.228 0.000 1.035 409 L CB 0.147 42.285 42.059 0.131 0.000 1.399 409 L HN 0.721 nan 8.230 nan 0.000 0.580 410 G N -0.144 108.931 108.800 0.458 0.000 2.511 410 G HA2 0.640 5.843 3.960 2.071 0.000 0.316 410 G HA3 0.640 5.843 3.960 2.071 0.000 0.316 410 G C -2.706 172.513 174.900 0.532 0.000 1.210 410 G CA -0.978 44.339 45.100 0.361 0.000 0.969 410 G HN -0.085 nan 8.290 nan 0.000 0.492 411 P HA 0.246 nan 4.420 nan 0.000 0.281 411 P C -0.134 177.373 177.300 0.345 0.000 1.281 411 P CA -0.693 62.706 63.100 0.497 0.000 0.811 411 P CB 0.776 32.800 31.700 0.540 0.000 1.154 412 M N 1.312 121.129 119.600 0.362 0.000 2.290 412 M HA 0.005 5.728 4.480 2.071 0.000 0.356 412 M C 0.539 176.883 176.300 0.073 0.000 1.448 412 M CA 1.142 56.500 55.300 0.097 0.000 0.993 412 M CB -1.628 30.787 32.600 -0.310 0.000 1.934 412 M HN 0.478 nan 8.290 nan 0.000 0.461 413 H N 0.855 119.816 119.070 -0.181 0.000 2.759 413 H HA 0.419 6.216 4.556 2.069 0.000 0.354 413 H C 0.732 175.938 175.328 -0.204 0.000 1.074 413 H CA 0.837 56.726 56.048 -0.266 0.000 1.226 413 H CB 1.390 30.908 29.762 -0.407 0.000 1.648 413 H HN 0.848 nan 8.280 nan 0.000 0.529 414 G N 3.956 112.311 108.800 -0.742 0.000 2.175 414 G HA2 -0.238 4.964 3.960 2.071 0.000 0.244 414 G HA3 -0.238 4.964 3.960 2.071 0.000 0.244 414 G C -0.127 174.569 174.900 -0.340 0.000 0.982 414 G CA 0.213 45.033 45.100 -0.468 0.000 0.641 414 G HN 0.509 nan 8.290 nan 0.000 0.527 415 L N 1.725 122.662 121.223 -0.477 0.000 2.276 415 L HA 0.375 5.957 4.340 2.071 0.000 0.286 415 L C 0.646 177.385 176.870 -0.218 0.000 1.061 415 L CA -0.786 53.750 54.840 -0.506 0.000 0.807 415 L CB 1.074 42.543 42.059 -0.984 0.000 1.177 415 L HN 0.160 nan 8.230 nan 0.000 0.429 416 D N 3.367 123.727 120.400 -0.067 0.000 2.488 416 D HA -0.065 5.818 4.640 2.071 0.000 0.238 416 D C 0.655 177.027 176.300 0.120 0.000 1.138 416 D CA 0.015 54.039 54.000 0.040 0.000 0.873 416 D CB 1.094 41.937 40.800 0.072 0.000 1.183 416 D HN 0.464 nan 8.370 nan 0.000 0.458 417 K N 2.410 122.883 120.400 0.122 0.000 2.442 417 K HA -0.044 5.519 4.320 2.071 0.000 0.198 417 K C 1.451 178.071 176.600 0.033 0.000 1.042 417 K CA 0.436 56.792 56.287 0.115 0.000 0.958 417 K CB 0.141 32.706 32.500 0.109 0.000 0.766 417 K HN 0.483 nan 8.250 nan 0.000 0.474 418 G N 0.457 109.284 108.800 0.045 0.000 3.233 418 G HA2 0.003 5.206 3.960 2.071 0.000 0.234 418 G HA3 0.003 5.206 3.960 2.071 0.000 0.234 418 G C 1.219 176.140 174.900 0.033 0.000 1.137 418 G CA -0.286 44.826 45.100 0.019 0.000 0.763 418 G HN 0.035 nan 8.290 nan 0.000 0.549 419 L N 2.052 123.319 121.223 0.072 0.000 2.129 419 L HA -0.174 5.408 4.340 2.071 0.000 0.212 419 L C 2.647 179.578 176.870 0.102 0.000 1.087 419 L CA 2.141 57.067 54.840 0.143 0.000 0.757 419 L CB -0.567 41.583 42.059 0.152 0.000 0.896 419 L HN 0.631 nan 8.230 nan 0.000 0.434 420 N N -1.725 116.968 118.700 -0.010 0.000 2.430 420 N HA -0.282 5.700 4.740 2.071 0.000 0.186 420 N C 1.795 177.273 175.510 -0.053 0.000 1.032 420 N CA 0.944 53.977 53.050 -0.029 0.000 0.893 420 N CB -0.448 37.983 38.487 -0.093 0.000 0.957 420 N HN 0.540 nan 8.380 nan 0.000 0.442 421 Q N -0.744 118.975 119.800 -0.135 0.000 2.170 421 Q HA -0.159 5.424 4.340 2.071 0.000 0.203 421 Q C 0.487 176.239 176.000 -0.413 0.000 0.976 421 Q CA 1.305 56.905 55.803 -0.339 0.000 0.858 421 Q CB 0.063 28.464 28.738 -0.561 0.000 0.907 421 Q HN 0.654 nan 8.270 nan 0.000 0.433 422 Y N -1.890 118.460 120.300 0.083 0.000 2.453 422 Y HA 0.285 6.077 4.550 2.069 0.000 0.247 422 Y C -0.180 175.804 175.900 0.140 0.000 1.124 422 Y CA -0.361 57.795 58.100 0.093 0.000 1.243 422 Y CB 1.318 39.830 38.460 0.087 0.000 1.213 422 Y HN -0.217 nan 8.280 nan 0.000 0.523 423 V N 1.569 121.654 119.914 0.286 0.000 2.604 423 V HA 0.281 5.643 4.120 2.071 0.000 0.305 423 V C -0.265 175.967 176.094 0.230 0.000 1.043 423 V CA -0.653 61.836 62.300 0.316 0.000 0.888 423 V CB 1.988 34.041 31.823 0.383 0.000 0.995 423 V HN 0.267 nan 8.190 nan 0.000 0.429 424 D N 1.707 122.270 120.400 0.272 0.000 2.527 424 D HA 0.170 6.053 4.640 2.071 0.000 0.224 424 D C -0.403 176.081 176.300 0.307 0.000 1.217 424 D CA -0.033 54.102 54.000 0.224 0.000 0.819 424 D CB 0.549 41.470 40.800 0.202 0.000 1.061 424 D HN 0.345 nan 8.370 nan 0.000 0.515 425 F N 0.773 120.840 119.950 0.194 0.000 2.722 425 F HA 0.463 6.229 4.527 2.065 0.000 0.336 425 F C -2.302 173.660 175.800 0.270 0.000 1.216 425 F CA -1.226 56.894 58.000 0.200 0.000 1.065 425 F CB 1.420 40.524 39.000 0.174 0.000 1.325 425 F HN -0.184 nan 8.300 nan 0.000 0.524 426 F N 5.369 125.476 119.950 0.262 0.000 2.557 426 F HA 0.722 6.494 4.527 2.074 0.000 0.316 426 F C -1.113 174.782 175.800 0.157 0.000 1.141 426 F CA -0.191 57.944 58.000 0.226 0.000 0.922 426 F CB 1.899 40.978 39.000 0.131 0.000 1.194 426 F HN 0.450 nan 8.300 nan 0.000 0.443 427 T N 3.486 117.712 114.554 -0.547 0.000 2.956 427 T HA 0.660 6.253 4.350 2.071 0.000 0.312 427 T C -1.059 173.315 174.700 -0.542 0.000 1.151 427 T CA -0.764 61.103 62.100 -0.389 0.000 1.024 427 T CB 1.011 69.779 68.868 -0.165 0.000 1.140 427 T HN 0.876 nan 8.240 nan 0.000 0.473 428 V N 0.435 120.174 119.914 -0.291 0.000 2.630 428 V HA 0.736 6.099 4.120 2.071 0.000 0.305 428 V C -0.162 175.828 176.094 -0.174 0.000 1.046 428 V CA -0.974 61.270 62.300 -0.093 0.000 0.934 428 V CB 1.477 33.408 31.823 0.180 0.000 1.003 428 V HN 0.937 nan 8.190 nan 0.000 0.451 429 N N 5.631 124.232 118.700 -0.165 0.000 2.408 429 N HA 0.534 6.516 4.740 2.071 0.000 0.257 429 N C -2.281 173.259 175.510 0.050 0.000 1.064 429 N CA -1.822 51.146 53.050 -0.138 0.000 0.952 429 N CB 1.360 39.855 38.487 0.014 0.000 1.093 429 N HN 0.672 nan 8.380 nan 0.000 0.490 430 P HA 0.284 nan 4.420 nan 0.000 0.310 430 P C -0.260 177.049 177.300 0.015 0.000 1.309 430 P CA -0.505 62.695 63.100 0.166 0.000 0.769 430 P CB 1.331 33.268 31.700 0.395 0.000 1.327 431 M N -0.049 119.542 119.600 -0.016 0.000 2.227 431 M HA 0.119 5.842 4.480 2.071 0.000 0.316 431 M C 1.870 177.832 176.300 -0.564 0.000 1.144 431 M CA -0.038 55.088 55.300 -0.291 0.000 1.121 431 M CB 0.438 32.998 32.600 -0.067 0.000 1.440 431 M HN 0.445 nan 8.290 nan 0.000 0.473 432 E N 0.030 119.617 120.200 -1.022 0.000 2.265 432 E HA -0.145 5.447 4.350 2.071 0.000 0.196 432 E C -0.172 176.380 176.600 -0.080 0.000 0.996 432 E CA 1.035 57.001 56.400 -0.724 0.000 0.832 432 E CB -0.169 29.164 29.700 -0.612 0.000 0.756 432 E HN 0.510 nan 8.360 nan 0.000 0.491 433 H N 0.836 119.959 119.070 0.090 0.000 3.109 433 H HA 0.292 6.090 4.556 2.070 0.000 0.266 433 H C 0.823 176.200 175.328 0.081 0.000 1.334 433 H CA 0.311 56.410 56.048 0.086 0.000 1.456 433 H CB 0.901 30.687 29.762 0.039 0.000 1.587 433 H HN 0.287 nan 8.280 nan 0.000 0.500 434 A N 2.997 125.816 122.820 -0.002 0.000 1.933 434 A HA -0.205 5.358 4.320 2.071 0.000 0.218 434 A C 2.349 179.766 177.584 -0.278 0.000 1.175 434 A CA 1.568 53.340 52.037 -0.440 0.000 0.628 434 A CB -0.000 18.283 19.000 -1.195 0.000 0.814 434 A HN 0.529 nan 8.150 nan 0.000 0.444 435 E N -0.341 119.751 120.200 -0.179 0.000 2.028 435 E HA -0.098 5.495 4.350 2.071 0.000 0.191 435 E C 1.653 178.215 176.600 -0.063 0.000 0.988 435 E CA 0.988 57.286 56.400 -0.170 0.000 0.799 435 E CB -0.328 29.300 29.700 -0.120 0.000 0.755 435 E HN 0.341 nan 8.360 nan 0.000 0.447 436 L N 0.519 121.769 121.223 0.045 0.000 2.291 436 L HA 0.004 5.587 4.340 2.071 0.000 0.214 436 L C 2.151 179.103 176.870 0.135 0.000 1.120 436 L CA 1.196 56.105 54.840 0.115 0.000 0.799 436 L CB -0.608 41.525 42.059 0.122 0.000 0.925 436 L HN 0.034 nan 8.230 nan 0.000 0.446 437 S N -0.726 115.059 115.700 0.141 0.000 2.465 437 S HA -0.208 5.504 4.470 2.071 0.000 0.241 437 S C 1.889 176.619 174.600 0.217 0.000 1.000 437 S CA 0.972 59.295 58.200 0.204 0.000 0.964 437 S CB -0.218 63.172 63.200 0.317 0.000 0.763 437 S HN 0.443 nan 8.310 nan 0.000 0.512 438 K N 0.703 121.157 120.400 0.089 0.000 2.283 438 K HA 0.078 5.641 4.320 2.071 0.000 0.202 438 K C 1.742 178.533 176.600 0.318 0.000 1.048 438 K CA 0.744 57.066 56.287 0.058 0.000 0.948 438 K CB -0.194 32.020 32.500 -0.476 0.000 0.742 438 K HN 0.369 nan 8.250 nan 0.000 0.458 439 I N -0.021 120.707 120.570 0.264 0.000 2.113 439 I HA -0.300 5.112 4.170 2.071 0.000 0.238 439 I C 2.527 178.883 176.117 0.397 0.000 1.070 439 I CA 1.131 62.599 61.300 0.281 0.000 1.332 439 I CB -0.352 37.776 38.000 0.215 0.000 1.044 439 I HN 0.105 nan 8.210 nan 0.000 0.402 440 S N 0.766 116.712 115.700 0.409 0.000 2.368 440 S HA -0.100 5.612 4.470 2.071 0.000 0.224 440 S C 2.067 176.959 174.600 0.487 0.000 1.029 440 S CA 1.140 59.630 58.200 0.483 0.000 0.988 440 S CB -0.319 63.173 63.200 0.486 0.000 0.838 440 S HN 0.278 nan 8.310 nan 0.000 0.462 441 I N 1.087 121.944 120.570 0.478 0.000 2.264 441 I HA -0.202 5.211 4.170 2.071 0.000 0.248 441 I C 2.542 178.946 176.117 0.478 0.000 1.111 441 I CA 1.520 63.115 61.300 0.491 0.000 1.382 441 I CB -0.539 37.818 38.000 0.594 0.000 1.060 441 I HN 0.469 nan 8.210 nan 0.000 0.418 442 H N 1.171 120.510 119.070 0.448 0.000 2.352 442 H HA -0.193 5.602 4.556 2.066 0.000 0.299 442 H C 2.352 177.853 175.328 0.288 0.000 1.097 442 H CA 2.303 58.554 56.048 0.338 0.000 1.311 442 H CB 0.054 30.040 29.762 0.374 0.000 1.377 442 H HN 0.443 nan 8.280 nan 0.000 0.504 443 T N -2.086 112.784 114.554 0.527 0.000 2.942 443 T HA 0.131 5.723 4.350 2.071 0.000 0.265 443 T C 2.262 177.196 174.700 0.389 0.000 1.062 443 T CA 0.921 63.339 62.100 0.528 0.000 1.139 443 T CB -0.488 68.746 68.868 0.610 0.000 0.883 443 T HN 0.335 nan 8.240 nan 0.000 0.468 444 A N 1.815 124.841 122.820 0.345 0.000 1.933 444 A HA 0.318 5.880 4.320 2.071 0.000 0.218 444 A C 2.798 180.520 177.584 0.230 0.000 1.175 444 A CA 1.794 54.023 52.037 0.321 0.000 0.628 444 A CB -1.364 17.907 19.000 0.451 0.000 0.814 444 A HN 0.762 nan 8.150 nan 0.000 0.444 445 A N -0.107 122.805 122.820 0.154 0.000 1.902 445 A HA -0.193 5.370 4.320 2.071 0.000 0.217 445 A C 1.855 179.469 177.584 0.049 0.000 1.181 445 A CA 2.166 54.223 52.037 0.034 0.000 0.623 445 A CB -0.651 18.266 19.000 -0.138 0.000 0.818 445 A HN 0.561 nan 8.150 nan 0.000 0.443 446 D N -2.155 118.308 120.400 0.105 0.000 2.097 446 D HA -0.187 5.696 4.640 2.071 0.000 0.197 446 D C 1.777 178.191 176.300 0.190 0.000 0.984 446 D CA 1.422 55.530 54.000 0.179 0.000 0.826 446 D CB -0.295 40.693 40.800 0.313 0.000 0.973 446 D HN 0.452 nan 8.370 nan 0.000 0.460 447 Y N 1.175 121.442 120.300 -0.055 0.000 2.081 447 Y HA -0.262 5.526 4.550 2.064 0.000 0.280 447 Y C 2.387 178.110 175.900 -0.295 0.000 1.163 447 Y CA 2.521 60.353 58.100 -0.447 0.000 1.135 447 Y CB -0.792 37.089 38.460 -0.966 0.000 0.970 447 Y HN 0.114 nan 8.280 nan 0.000 0.498 448 S N -0.786 114.694 115.700 -0.367 0.000 2.527 448 S HA -0.120 5.592 4.470 2.071 0.000 0.222 448 S C 1.849 176.351 174.600 -0.162 0.000 0.985 448 S CA 0.396 58.349 58.200 -0.411 0.000 0.921 448 S CB -0.901 62.210 63.200 -0.150 0.000 0.772 448 S HN 0.746 nan 8.310 nan 0.000 0.529 449 W N 2.254 123.415 121.300 -0.231 0.000 2.574 449 W HA 0.367 6.267 4.660 2.067 0.000 0.282 449 W C 0.012 176.415 176.519 -0.192 0.000 1.197 449 W CA 0.224 57.458 57.345 -0.185 0.000 1.376 449 W CB -0.057 29.305 29.460 -0.164 0.000 1.091 449 W HN 0.319 nan 8.180 nan 0.000 0.569 450 N N 1.674 120.442 118.700 0.113 0.000 2.844 450 N HA 0.076 6.058 4.740 2.071 0.000 0.268 450 N C 0.772 176.257 175.510 -0.041 0.000 1.574 450 N CA -0.045 53.012 53.050 0.011 0.000 0.838 450 N CB -0.167 38.400 38.487 0.134 0.000 1.177 450 N HN 0.093 nan 8.380 nan 0.000 0.495 451 M N 0.478 119.964 119.600 -0.190 0.000 2.175 451 M HA -0.122 5.600 4.480 2.071 0.000 0.264 451 M C 1.133 177.392 176.300 -0.068 0.000 1.063 451 M CA 1.810 56.932 55.300 -0.297 0.000 1.119 451 M CB 0.104 32.424 32.600 -0.467 0.000 1.377 451 M HN 0.277 nan 8.290 nan 0.000 0.415 452 D N 0.094 120.464 120.400 -0.050 0.000 2.178 452 D HA -0.121 5.761 4.640 2.071 0.000 0.202 452 D C 1.006 177.332 176.300 0.043 0.000 0.974 452 D CA 1.089 55.089 54.000 -0.001 0.000 0.841 452 D CB 0.036 40.823 40.800 -0.022 0.000 0.953 452 D HN 0.418 nan 8.370 nan 0.000 0.478 453 N N -0.448 118.283 118.700 0.051 0.000 2.268 453 N HA -0.059 5.923 4.740 2.071 0.000 0.204 453 N C -0.567 175.005 175.510 0.103 0.000 1.124 453 N CA -0.184 52.901 53.050 0.057 0.000 0.838 453 N CB 0.205 38.709 38.487 0.029 0.000 0.994 453 N HN 0.297 nan 8.380 nan 0.000 0.489 454 Y N 2.612 122.945 120.300 0.055 0.000 2.650 454 Y HA -0.010 5.784 4.550 2.073 0.000 0.331 454 Y C -0.098 175.869 175.900 0.112 0.000 1.165 454 Y CA -0.095 58.075 58.100 0.117 0.000 1.473 454 Y CB 0.243 38.841 38.460 0.230 0.000 1.224 454 Y HN -0.078 nan 8.280 nan 0.000 0.533 455 D N 6.100 126.171 120.400 -0.548 0.000 2.453 455 D HA 0.012 5.895 4.640 2.071 0.000 0.238 455 D C 0.383 176.242 176.300 -0.736 0.000 1.088 455 D CA -0.582 53.118 54.000 -0.499 0.000 0.854 455 D CB 0.275 40.916 40.800 -0.266 0.000 1.076 455 D HN 0.650 nan 8.370 nan 0.000 0.533 456 Y N 2.792 122.710 120.300 -0.637 0.000 2.165 456 Y HA -0.128 5.663 4.550 2.069 0.000 0.286 456 Y C 1.575 177.435 175.900 -0.068 0.000 1.155 456 Y CA 1.738 59.620 58.100 -0.364 0.000 1.164 456 Y CB -0.606 37.897 38.460 0.073 0.000 0.978 456 Y HN 0.331 nan 8.280 nan 0.000 0.513 457 D N 0.225 120.293 120.400 -0.553 0.000 2.117 457 D HA -0.150 5.733 4.640 2.071 0.000 0.198 457 D C 2.008 178.323 176.300 0.025 0.000 0.982 457 D CA 1.347 55.232 54.000 -0.193 0.000 0.828 457 D CB -0.057 40.518 40.800 -0.375 0.000 0.967 457 D HN 0.154 nan 8.370 nan 0.000 0.464 458 K N 0.224 120.567 120.400 -0.094 0.000 2.057 458 K HA -0.065 5.498 4.320 2.071 0.000 0.207 458 K C 2.130 178.761 176.600 0.053 0.000 1.049 458 K CA 1.052 57.326 56.287 -0.021 0.000 0.931 458 K CB -0.549 31.907 32.500 -0.073 0.000 0.714 458 K HN 0.214 nan 8.250 nan 0.000 0.440 459 A N 0.239 123.080 122.820 0.036 0.000 1.908 459 A HA -0.207 5.356 4.320 2.071 0.000 0.218 459 A C 2.059 179.817 177.584 0.291 0.000 1.181 459 A CA 1.603 53.745 52.037 0.176 0.000 0.627 459 A CB -0.910 18.215 19.000 0.208 0.000 0.818 459 A HN 0.577 nan 8.150 nan 0.000 0.445 460 W N 1.194 122.568 121.300 0.122 0.000 2.381 460 W HA -0.104 5.796 4.660 2.066 0.000 0.301 460 W C 1.996 178.559 176.519 0.073 0.000 1.205 460 W CA 1.581 59.010 57.345 0.139 0.000 1.285 460 W CB -0.217 29.337 29.460 0.157 0.000 1.133 460 W HN 0.353 nan 8.180 nan 0.000 0.521 461 N N 0.414 119.208 118.700 0.156 0.000 2.120 461 N HA -0.218 5.765 4.740 2.071 0.000 0.188 461 N C 1.835 177.280 175.510 -0.109 0.000 1.024 461 N CA 1.677 54.689 53.050 -0.063 0.000 0.852 461 N CB -0.511 38.013 38.487 0.062 0.000 1.003 461 N HN 0.255 nan 8.380 nan 0.000 0.424 462 R N 0.869 121.358 120.500 -0.018 0.000 2.148 462 R HA 0.032 5.615 4.340 2.071 0.000 0.223 462 R C 2.047 178.270 176.300 -0.129 0.000 1.088 462 R CA 0.973 57.067 56.100 -0.011 0.000 0.985 462 R CB 0.014 30.365 30.300 0.085 0.000 0.880 462 R HN 0.132 nan 8.270 nan 0.000 0.451 463 A N 0.708 123.394 122.820 -0.223 0.000 1.872 463 A HA -0.050 5.513 4.320 2.071 0.000 0.214 463 A C 2.027 179.397 177.584 -0.356 0.000 1.187 463 A CA 1.019 52.711 52.037 -0.575 0.000 0.614 463 A CB -0.294 18.564 19.000 -0.236 0.000 0.826 463 A HN 0.300 nan 8.150 nan 0.000 0.442 464 I N -0.141 120.248 120.570 -0.301 0.000 2.286 464 I HA -0.178 5.235 4.170 2.071 0.000 0.245 464 I C 1.767 177.860 176.117 -0.041 0.000 1.104 464 I CA 1.111 62.310 61.300 -0.168 0.000 1.397 464 I CB -0.613 37.107 38.000 -0.467 0.000 1.072 464 I HN 0.209 nan 8.210 nan 0.000 0.417 465 D N 1.223 121.559 120.400 -0.107 0.000 2.126 465 D HA -0.231 5.651 4.640 2.071 0.000 0.190 465 D C 2.244 178.527 176.300 -0.028 0.000 1.001 465 D CA 1.776 55.746 54.000 -0.050 0.000 0.841 465 D CB -0.265 40.505 40.800 -0.050 0.000 0.949 465 D HN 0.334 nan 8.370 nan 0.000 0.446 466 M N -0.412 119.153 119.600 -0.059 0.000 2.254 466 M HA -0.011 5.711 4.480 2.071 0.000 0.265 466 M C 2.189 178.465 176.300 -0.040 0.000 1.066 466 M CA 0.670 55.953 55.300 -0.028 0.000 1.123 466 M CB 0.079 32.693 32.600 0.024 0.000 1.388 466 M HN -0.035 nan 8.290 nan 0.000 0.425 467 L N -1.990 119.189 121.223 -0.074 0.000 2.209 467 L HA -0.101 5.482 4.340 2.071 0.000 0.207 467 L C 1.548 178.157 176.870 -0.436 0.000 1.094 467 L CA 1.014 55.726 54.840 -0.213 0.000 0.790 467 L CB -0.184 41.744 42.059 -0.218 0.000 0.932 467 L HN 0.231 nan 8.230 nan 0.000 0.447 468 Y N -0.768 119.484 120.300 -0.079 0.000 2.442 468 Y HA 0.289 6.080 4.550 2.069 0.000 0.250 468 Y C 1.818 177.684 175.900 -0.057 0.000 1.113 468 Y CA 0.272 58.330 58.100 -0.070 0.000 1.273 468 Y CB 0.144 38.555 38.460 -0.080 0.000 1.138 468 Y HN 0.180 nan 8.280 nan 0.000 0.522 469 G N 0.960 109.776 108.800 0.027 0.000 2.629 469 G HA2 -0.416 4.786 3.960 2.071 0.000 0.313 469 G HA3 -0.416 4.786 3.960 2.071 0.000 0.313 469 G C 0.858 175.770 174.900 0.021 0.000 1.217 469 G CA 0.818 45.921 45.100 0.005 0.000 0.994 469 G HN 0.294 nan 8.290 nan 0.000 0.549 470 D N 0.653 121.059 120.400 0.011 0.000 2.310 470 D HA 0.025 5.907 4.640 2.071 0.000 0.212 470 D C 2.357 178.670 176.300 0.021 0.000 0.965 470 D CA 0.807 54.813 54.000 0.009 0.000 0.879 470 D CB 0.034 40.834 40.800 -0.000 0.000 0.921 470 D HN 0.326 nan 8.370 nan 0.000 0.510 471 L N 0.130 121.384 121.223 0.052 0.000 2.607 471 L HA 0.205 5.788 4.340 2.071 0.000 0.228 471 L C 2.192 179.088 176.870 0.043 0.000 1.123 471 L CA -0.181 54.692 54.840 0.056 0.000 0.890 471 L CB 0.131 42.248 42.059 0.096 0.000 1.103 471 L HN -0.103 nan 8.230 nan 0.000 0.468 472 A N 0.425 123.275 122.820 0.051 0.000 1.892 472 A HA -0.216 5.347 4.320 2.071 0.000 0.218 472 A C 2.166 179.713 177.584 -0.063 0.000 1.188 472 A CA 1.595 53.632 52.037 -0.001 0.000 0.631 472 A CB -0.195 18.803 19.000 -0.002 0.000 0.822 472 A HN 0.318 nan 8.150 nan 0.000 0.447 473 E N 0.327 120.508 120.200 -0.032 0.000 2.051 473 E HA -0.170 5.423 4.350 2.071 0.000 0.192 473 E C 1.640 178.232 176.600 -0.014 0.000 0.991 473 E CA 1.415 57.801 56.400 -0.024 0.000 0.799 473 E CB -0.537 29.159 29.700 -0.007 0.000 0.748 473 E HN 0.588 nan 8.360 nan 0.000 0.449 474 D N 0.203 120.595 120.400 -0.013 0.000 2.144 474 D HA -0.142 5.741 4.640 2.071 0.000 0.199 474 D C 1.899 178.197 176.300 -0.004 0.000 0.984 474 D CA 0.840 54.839 54.000 -0.003 0.000 0.834 474 D CB -0.225 40.567 40.800 -0.014 0.000 0.955 474 D HN 0.085 nan 8.370 nan 0.000 0.465 475 M N 0.713 120.264 119.600 -0.082 0.000 2.296 475 M HA -0.075 5.648 4.480 2.071 0.000 0.265 475 M C 1.559 177.801 176.300 -0.096 0.000 1.064 475 M CA 1.391 56.596 55.300 -0.159 0.000 1.109 475 M CB 0.066 32.330 32.600 -0.561 0.000 1.396 475 M HN -0.185 nan 8.290 nan 0.000 0.430 476 K N -1.105 119.228 120.400 -0.113 0.000 2.057 476 K HA -0.078 5.485 4.320 2.071 0.000 0.206 476 K C 1.806 178.520 176.600 0.189 0.000 1.050 476 K CA 1.504 57.762 56.287 -0.048 0.000 0.935 476 K CB -0.448 32.002 32.500 -0.083 0.000 0.715 476 K HN 0.211 nan 8.250 nan 0.000 0.439 477 V N 1.515 121.524 119.914 0.158 0.000 2.252 477 V HA -0.291 5.072 4.120 2.071 0.000 0.249 477 V C 2.054 178.327 176.094 0.298 0.000 1.056 477 V CA 2.060 64.489 62.300 0.214 0.000 1.022 477 V CB -0.566 31.345 31.823 0.146 0.000 0.641 477 V HN 0.242 nan 8.190 nan 0.000 0.445 478 F N 1.591 121.589 119.950 0.081 0.000 2.051 478 F HA -0.118 5.650 4.527 2.068 0.000 0.296 478 F C 2.303 178.196 175.800 0.155 0.000 1.122 478 F CA 1.638 59.678 58.000 0.066 0.000 1.201 478 F CB -0.862 38.129 39.000 -0.015 0.000 0.978 478 F HN 0.054 nan 8.300 nan 0.000 0.472 479 A N 0.254 123.020 122.820 -0.089 0.000 1.972 479 A HA -0.253 5.309 4.320 2.071 0.000 0.219 479 A C 2.018 179.718 177.584 0.193 0.000 1.169 479 A CA 1.784 53.771 52.037 -0.085 0.000 0.635 479 A CB -1.275 17.799 19.000 0.122 0.000 0.810 479 A HN 0.570 nan 8.150 nan 0.000 0.446 480 N N -0.239 118.674 118.700 0.355 0.000 2.258 480 N HA -0.181 5.801 4.740 2.071 0.000 0.187 480 N C 1.271 176.733 175.510 -0.080 0.000 1.012 480 N CA 1.458 54.587 53.050 0.132 0.000 0.870 480 N CB -0.474 38.119 38.487 0.176 0.000 0.977 480 N HN 0.693 nan 8.380 nan 0.000 0.434 481 H N -2.102 116.921 119.070 -0.077 0.000 2.526 481 H HA 0.215 6.013 4.556 2.070 0.000 0.274 481 H C 0.137 175.386 175.328 -0.132 0.000 0.999 481 H CA 0.174 56.168 56.048 -0.090 0.000 1.157 481 H CB 0.428 30.159 29.762 -0.052 0.000 1.407 481 H HN 0.047 nan 8.280 nan 0.000 0.568 482 S N 0.414 116.066 115.700 -0.080 0.000 2.665 482 S HA 0.063 5.776 4.470 2.071 0.000 0.235 482 S C 1.143 175.719 174.600 -0.041 0.000 1.084 482 S CA -0.288 57.848 58.200 -0.106 0.000 1.151 482 S CB -0.103 62.928 63.200 -0.281 0.000 1.151 482 S HN 0.503 nan 8.310 nan 0.000 0.461 483 T N -1.465 113.067 114.554 -0.037 0.000 2.969 483 T HA 0.349 5.942 4.350 2.071 0.000 0.250 483 T C 0.663 175.412 174.700 0.082 0.000 1.021 483 T CA -0.186 61.929 62.100 0.024 0.000 1.003 483 T CB 0.078 68.861 68.868 -0.141 0.000 1.040 483 T HN 0.235 nan 8.240 nan 0.000 0.492 484 R N 1.601 122.101 120.500 0.000 0.000 2.297 484 R HA 0.542 6.125 4.340 2.071 0.000 0.308 484 R C -0.725 175.599 176.300 0.039 0.000 1.029 484 R CA -0.590 55.508 56.100 -0.004 0.000 0.929 484 R CB 0.222 30.482 30.300 -0.067 0.000 1.046 484 R HN 0.158 nan 8.270 nan 0.000 0.461 485 M N 2.938 122.580 119.600 0.070 0.000 2.311 485 M HA 0.323 6.046 4.480 2.071 0.000 0.325 485 M C -1.263 174.981 176.300 -0.092 0.000 1.061 485 M CA -0.676 54.642 55.300 0.030 0.000 0.957 485 M CB 1.768 34.459 32.600 0.153 0.000 1.646 485 M HN 0.589 nan 8.290 nan 0.000 0.434 486 D N 1.799 122.022 120.400 -0.294 0.000 2.688 486 D HA 0.159 6.042 4.640 2.071 0.000 0.210 486 D C -0.296 175.565 176.300 -0.732 0.000 1.333 486 D CA -0.177 53.595 54.000 -0.381 0.000 0.920 486 D CB 0.981 41.627 40.800 -0.257 0.000 1.554 486 D HN 0.800 nan 8.370 nan 0.000 0.579 487 N N 2.342 120.649 118.700 -0.654 0.000 2.268 487 N HA 0.024 6.006 4.740 2.071 0.000 0.204 487 N C 0.170 175.435 175.510 -0.410 0.000 1.124 487 N CA -0.518 52.094 53.050 -0.730 0.000 0.838 487 N CB 0.333 38.529 38.487 -0.485 0.000 0.994 487 N HN 0.124 nan 8.380 nan 0.000 0.489 488 K N -1.200 119.001 120.400 -0.331 0.000 3.587 488 K HA -0.184 5.379 4.320 2.071 0.000 0.294 488 K C 0.805 177.328 176.600 -0.128 0.000 1.279 488 K CA 1.973 58.151 56.287 -0.181 0.000 1.004 488 K CB -2.265 30.168 32.500 -0.113 0.000 1.276 488 K HN 0.694 nan 8.250 nan 0.000 0.459 489 T N -3.517 110.936 114.554 -0.168 0.000 2.614 489 T HA 0.217 5.810 4.350 2.071 0.000 0.163 489 T C 1.400 176.064 174.700 -0.060 0.000 0.806 489 T CA 0.175 62.241 62.100 -0.058 0.000 1.020 489 T CB -0.333 68.571 68.868 0.062 0.000 2.539 489 T HN 0.266 nan 8.240 nan 0.000 0.380 490 W N 2.705 123.948 121.300 -0.095 0.000 3.003 490 W HA 0.672 6.572 4.660 2.067 0.000 0.257 490 W C 0.070 176.489 176.519 -0.167 0.000 1.308 490 W CA -0.082 57.193 57.345 -0.116 0.000 1.529 490 W CB -0.388 29.004 29.460 -0.114 0.000 1.115 490 W HN 0.549 nan 8.180 nan 0.000 0.659 491 A N 2.923 125.229 122.820 -0.858 0.000 2.291 491 A HA 0.620 6.182 4.320 2.071 0.000 0.311 491 A C -0.389 176.885 177.584 -0.517 0.000 1.224 491 A CA -0.693 50.770 52.037 -0.957 0.000 0.821 491 A CB 0.541 18.343 19.000 -1.996 0.000 1.172 491 A HN 0.257 nan 8.150 nan 0.000 0.494 492 K N 0.497 120.718 120.400 -0.299 0.000 2.561 492 K HA 0.753 6.316 4.320 2.071 0.000 0.254 492 K C -1.191 175.353 176.600 -0.093 0.000 0.942 492 K CA -0.483 55.702 56.287 -0.170 0.000 0.818 492 K CB 1.738 34.151 32.500 -0.145 0.000 1.306 492 K HN 0.580 nan 8.250 nan 0.000 0.435 493 S N 0.765 116.446 115.700 -0.031 0.000 2.595 493 S HA 0.826 6.539 4.470 2.071 0.000 0.270 493 S C -1.366 173.238 174.600 0.006 0.000 1.145 493 S CA 0.378 58.573 58.200 -0.008 0.000 0.825 493 S CB 1.580 64.741 63.200 -0.064 0.000 1.107 493 S HN 1.627 nan 8.310 nan 0.000 0.461 494 G N 2.325 111.052 108.800 -0.122 0.000 2.576 494 G HA2 0.079 5.281 3.960 2.071 0.000 0.686 494 G HA3 0.079 5.281 3.960 2.071 0.000 0.686 494 G C -0.912 173.746 174.900 -0.403 0.000 1.242 494 G CA -0.631 44.284 45.100 -0.307 0.000 0.819 494 G HN 0.780 nan 8.290 nan 0.000 0.655 495 R N 0.709 120.771 120.500 -0.731 0.000 2.638 495 R HA 0.113 5.695 4.340 2.071 0.000 0.268 495 R C 0.615 176.627 176.300 -0.480 0.000 1.006 495 R CA -0.061 55.444 56.100 -0.991 0.000 1.088 495 R CB 0.257 30.048 30.300 -0.849 0.000 0.950 495 R HN 0.566 nan 8.270 nan 0.000 0.419 496 E N 2.202 122.170 120.200 -0.387 0.000 2.436 496 E HA -0.059 5.534 4.350 2.071 0.000 0.262 496 E C -0.465 175.998 176.600 -0.228 0.000 1.063 496 E CA 0.329 56.592 56.400 -0.227 0.000 0.944 496 E CB 0.363 29.967 29.700 -0.160 0.000 0.950 496 E HN 0.466 nan 8.360 nan 0.000 0.444 497 D N 0.316 120.611 120.400 -0.174 0.000 2.382 497 D HA 0.170 6.052 4.640 2.071 0.000 0.245 497 D C 0.149 176.297 176.300 -0.254 0.000 1.120 497 D CA 0.168 54.050 54.000 -0.198 0.000 0.890 497 D CB 0.681 41.407 40.800 -0.124 0.000 1.201 497 D HN 0.480 nan 8.370 nan 0.000 0.433 498 A N 3.880 126.484 122.820 -0.360 0.000 2.151 498 A HA -0.157 5.406 4.320 2.071 0.000 0.271 498 A C -1.115 176.329 177.584 -0.233 0.000 1.348 498 A CA 0.055 51.856 52.037 -0.394 0.000 0.763 498 A CB -0.966 17.570 19.000 -0.773 0.000 1.117 498 A HN 0.462 nan 8.150 nan 0.000 0.342 499 P HA -0.176 nan 4.420 nan 0.000 0.217 499 P C 1.057 178.305 177.300 -0.087 0.000 1.150 499 P CA 1.739 64.771 63.100 -0.112 0.000 0.832 499 P CB 0.083 31.725 31.700 -0.097 0.000 0.787 500 E N 0.322 120.467 120.200 -0.092 0.000 2.058 500 E HA -0.164 5.428 4.350 2.071 0.000 0.194 500 E C 2.092 178.641 176.600 -0.085 0.000 0.997 500 E CA 0.797 57.153 56.400 -0.074 0.000 0.801 500 E CB -1.559 28.103 29.700 -0.064 0.000 0.746 500 E HN 0.174 nan 8.360 nan 0.000 0.450 501 L N 0.751 121.912 121.223 -0.104 0.000 2.109 501 L HA 0.008 5.591 4.340 2.071 0.000 0.207 501 L C 2.219 179.034 176.870 -0.093 0.000 1.086 501 L CA 1.519 56.292 54.840 -0.113 0.000 0.760 501 L CB -0.383 41.622 42.059 -0.090 0.000 0.910 501 L HN -0.054 nan 8.230 nan 0.000 0.437 502 R N 0.694 121.154 120.500 -0.067 0.000 2.117 502 R HA -0.103 5.480 4.340 2.071 0.000 0.243 502 R C 2.025 178.323 176.300 -0.003 0.000 1.143 502 R CA 1.900 57.992 56.100 -0.013 0.000 0.968 502 R CB -1.185 29.105 30.300 -0.016 0.000 0.863 502 R HN 0.497 nan 8.270 nan 0.000 0.444 503 A N 0.586 123.390 122.820 -0.027 0.000 1.968 503 A HA -0.073 5.490 4.320 2.071 0.000 0.217 503 A C 1.996 179.557 177.584 -0.039 0.000 1.169 503 A CA 1.410 53.436 52.037 -0.017 0.000 0.638 503 A CB -0.296 18.691 19.000 -0.022 0.000 0.812 503 A HN 0.405 nan 8.150 nan 0.000 0.446 504 K N -0.669 119.682 120.400 -0.081 0.000 2.097 504 K HA -0.053 5.510 4.320 2.071 0.000 0.205 504 K C 2.032 178.538 176.600 -0.156 0.000 1.050 504 K CA 1.538 57.751 56.287 -0.122 0.000 0.938 504 K CB -0.316 32.082 32.500 -0.170 0.000 0.718 504 K HN 0.487 nan 8.250 nan 0.000 0.442 505 M N 1.195 120.704 119.600 -0.150 0.000 2.080 505 M HA -0.206 5.517 4.480 2.071 0.000 0.260 505 M C 1.496 177.712 176.300 -0.141 0.000 1.068 505 M CA 1.520 56.727 55.300 -0.154 0.000 1.109 505 M CB -0.399 32.226 32.600 0.041 0.000 1.342 505 M HN 0.062 nan 8.290 nan 0.000 0.405 506 D N 0.162 120.589 120.400 0.045 0.000 2.133 506 D HA -0.195 5.688 4.640 2.071 0.000 0.195 506 D C 1.880 178.231 176.300 0.084 0.000 0.997 506 D CA 1.441 55.529 54.000 0.147 0.000 0.840 506 D CB -0.362 40.514 40.800 0.127 0.000 0.947 506 D HN 0.329 nan 8.370 nan 0.000 0.452 507 E N 0.351 120.550 120.200 -0.002 0.000 2.152 507 E HA -0.090 5.502 4.350 2.071 0.000 0.192 507 E C 1.931 178.513 176.600 -0.030 0.000 0.983 507 E CA 0.165 56.566 56.400 0.001 0.000 0.818 507 E CB -0.351 29.334 29.700 -0.025 0.000 0.758 507 E HN 0.162 nan 8.360 nan 0.000 0.467 508 L N -0.408 120.720 121.223 -0.157 0.000 2.012 508 L HA -0.110 5.473 4.340 2.071 0.000 0.210 508 L C 1.946 178.755 176.870 -0.101 0.000 1.073 508 L CA 2.024 56.708 54.840 -0.260 0.000 0.748 508 L CB -0.734 40.999 42.059 -0.543 0.000 0.891 508 L HN 0.312 nan 8.230 nan 0.000 0.431 509 W N -0.541 120.864 121.300 0.175 0.000 2.388 509 W HA -0.156 5.746 4.660 2.070 0.000 0.294 509 W C 2.407 179.070 176.519 0.239 0.000 1.212 509 W CA 0.310 57.825 57.345 0.283 0.000 1.271 509 W CB -0.531 29.111 29.460 0.303 0.000 1.126 509 W HN 0.223 nan 8.180 nan 0.000 0.535 510 N N 1.020 119.918 118.700 0.330 0.000 2.069 510 N HA -0.162 5.821 4.740 2.071 0.000 0.191 510 N C 1.439 177.054 175.510 0.174 0.000 1.031 510 N CA 1.584 54.760 53.050 0.210 0.000 0.852 510 N CB -0.660 37.905 38.487 0.130 0.000 1.018 510 N HN 0.232 nan 8.380 nan 0.000 0.423 511 K N 0.598 121.075 120.400 0.129 0.000 2.057 511 K HA -0.012 5.550 4.320 2.071 0.000 0.207 511 K C 2.168 178.843 176.600 0.124 0.000 1.049 511 K CA 0.733 57.075 56.287 0.091 0.000 0.931 511 K CB -0.244 32.278 32.500 0.036 0.000 0.714 511 K HN 0.153 nan 8.250 nan 0.000 0.440 512 L N 1.174 122.499 121.223 0.170 0.000 2.027 512 L HA -0.171 5.412 4.340 2.071 0.000 0.206 512 L C 2.630 179.700 176.870 0.334 0.000 1.074 512 L CA 1.507 56.452 54.840 0.175 0.000 0.745 512 L CB -0.644 41.418 42.059 0.005 0.000 0.898 512 L HN 0.269 nan 8.230 nan 0.000 0.433 513 S N -1.908 114.083 115.700 0.485 0.000 2.447 513 S HA -0.081 5.632 4.470 2.071 0.000 0.233 513 S C 1.752 176.461 174.600 0.181 0.000 1.006 513 S CA 0.997 59.408 58.200 0.352 0.000 0.957 513 S CB -0.165 63.167 63.200 0.220 0.000 0.773 513 S HN 0.277 nan 8.310 nan 0.000 0.507 514 S N 0.798 116.591 115.700 0.155 0.000 2.575 514 S HA 0.311 6.024 4.470 2.071 0.000 0.215 514 S C 0.222 174.873 174.600 0.085 0.000 0.966 514 S CA -0.150 58.108 58.200 0.098 0.000 0.911 514 S CB -0.213 63.035 63.200 0.080 0.000 0.780 514 S HN 0.461 nan 8.310 nan 0.000 0.514 515 K N 1.527 121.988 120.400 0.101 0.000 3.071 515 K HA -0.161 5.401 4.320 2.071 0.000 0.265 515 K C -0.689 175.942 176.600 0.052 0.000 1.060 515 K CA 0.566 56.897 56.287 0.073 0.000 0.767 515 K CB -1.678 30.858 32.500 0.060 0.000 1.241 515 K HN 0.552 nan 8.250 nan 0.000 0.486 516 E N 0.262 120.493 120.200 0.052 0.000 2.222 516 E HA 0.160 5.753 4.350 2.071 0.000 0.272 516 E C -0.318 176.298 176.600 0.026 0.000 0.982 516 E CA -1.024 55.397 56.400 0.036 0.000 0.842 516 E CB 0.891 30.612 29.700 0.035 0.000 1.144 516 E HN 0.153 nan 8.360 nan 0.000 0.397 517 D N 1.054 121.465 120.400 0.018 0.000 2.493 517 D HA -0.010 5.872 4.640 2.071 0.000 0.240 517 D C -0.490 175.812 176.300 0.005 0.000 1.142 517 D CA 0.341 54.348 54.000 0.012 0.000 0.872 517 D CB 1.012 41.819 40.800 0.010 0.000 1.173 517 D HN 0.513 nan 8.370 nan 0.000 0.467 518 A N 3.014 125.833 122.820 -0.001 0.000 2.571 518 A HA 0.134 5.696 4.320 2.071 0.000 0.274 518 A C 1.868 179.443 177.584 -0.015 0.000 1.196 518 A CA -0.266 51.761 52.037 -0.017 0.000 0.957 518 A CB 0.314 19.293 19.000 -0.034 0.000 1.150 518 A HN 0.474 nan 8.150 nan 0.000 0.539 519 S N 0.440 116.141 115.700 0.001 0.000 2.370 519 S HA -0.144 5.569 4.470 2.071 0.000 0.226 519 S C 2.287 176.896 174.600 0.014 0.000 1.033 519 S CA 1.626 59.836 58.200 0.016 0.000 1.011 519 S CB -0.148 63.063 63.200 0.018 0.000 0.852 519 S HN 0.835 nan 8.310 nan 0.000 0.457 520 A N 0.935 123.754 122.820 -0.002 0.000 1.929 520 A HA 0.051 5.614 4.320 2.071 0.000 0.216 520 A C 2.075 179.642 177.584 -0.027 0.000 1.176 520 A CA 1.055 53.087 52.037 -0.009 0.000 0.628 520 A CB -0.570 18.422 19.000 -0.013 0.000 0.816 520 A HN 0.416 nan 8.150 nan 0.000 0.444 521 L N 0.168 121.364 121.223 -0.046 0.000 2.056 521 L HA -0.045 5.538 4.340 2.071 0.000 0.207 521 L C 2.161 178.964 176.870 -0.112 0.000 1.078 521 L CA 1.585 56.374 54.840 -0.085 0.000 0.749 521 L CB -0.589 41.413 42.059 -0.095 0.000 0.901 521 L HN 0.420 nan 8.230 nan 0.000 0.433 522 I N -0.220 120.301 120.570 -0.082 0.000 2.194 522 I HA -0.315 5.098 4.170 2.071 0.000 0.246 522 I C 2.492 178.609 176.117 -0.000 0.000 1.093 522 I CA 1.648 62.898 61.300 -0.083 0.000 1.355 522 I CB -0.334 37.657 38.000 -0.015 0.000 1.046 522 I HN 0.361 nan 8.210 nan 0.000 0.413 523 E N 1.227 121.479 120.200 0.086 0.000 2.110 523 E HA -0.283 5.309 4.350 2.071 0.000 0.193 523 E C 1.997 178.639 176.600 0.071 0.000 0.988 523 E CA 1.622 58.120 56.400 0.163 0.000 0.804 523 E CB -0.139 29.607 29.700 0.077 0.000 0.745 523 E HN 0.492 nan 8.360 nan 0.000 0.458 524 E N -0.371 119.807 120.200 -0.035 0.000 2.106 524 E HA -0.147 5.445 4.350 2.071 0.000 0.192 524 E C 2.022 178.489 176.600 -0.222 0.000 0.984 524 E CA 1.011 57.349 56.400 -0.103 0.000 0.806 524 E CB -0.100 29.534 29.700 -0.111 0.000 0.750 524 E HN 0.353 nan 8.360 nan 0.000 0.458 525 L N -0.226 120.796 121.223 -0.335 0.000 2.109 525 L HA -0.132 5.451 4.340 2.071 0.000 0.207 525 L C 2.230 178.632 176.870 -0.782 0.000 1.086 525 L CA 0.927 55.328 54.840 -0.731 0.000 0.760 525 L CB -0.495 41.119 42.059 -0.743 0.000 0.910 525 L HN 0.221 nan 8.230 nan 0.000 0.437 526 Y N 0.372 120.522 120.300 -0.251 0.000 2.114 526 Y HA -0.283 5.510 4.550 2.071 0.000 0.282 526 Y C 2.620 178.455 175.900 -0.107 0.000 1.165 526 Y CA 1.263 59.334 58.100 -0.049 0.000 1.148 526 Y CB -0.793 37.674 38.460 0.013 0.000 0.972 526 Y HN 0.194 nan 8.280 nan 0.000 0.504 527 G N -0.172 108.634 108.800 0.010 0.000 2.476 527 G HA2 -0.257 4.945 3.960 2.071 0.000 0.218 527 G HA3 -0.257 4.945 3.960 2.071 0.000 0.218 527 G C 1.498 176.342 174.900 -0.094 0.000 1.164 527 G CA 1.251 46.331 45.100 -0.034 0.000 0.768 527 G HN 0.294 nan 8.290 nan 0.000 0.560 528 E N 0.418 120.462 120.200 -0.260 0.000 2.077 528 E HA -0.083 5.509 4.350 2.071 0.000 0.193 528 E C 2.308 178.834 176.600 -0.125 0.000 0.989 528 E CA 0.766 57.004 56.400 -0.270 0.000 0.800 528 E CB -0.386 29.015 29.700 -0.499 0.000 0.746 528 E HN 0.487 nan 8.360 nan 0.000 0.452 529 F N 0.941 120.877 119.950 -0.024 0.000 2.206 529 F HA 0.027 5.796 4.527 2.070 0.000 0.298 529 F C 2.479 178.287 175.800 0.014 0.000 1.090 529 F CA 0.564 58.554 58.000 -0.017 0.000 1.323 529 F CB -1.250 37.739 39.000 -0.017 0.000 1.028 529 F HN -0.032 nan 8.300 nan 0.000 0.492 530 A N 0.065 123.011 122.820 0.209 0.000 1.933 530 A HA -0.195 5.367 4.320 2.071 0.000 0.218 530 A C 2.270 179.900 177.584 0.077 0.000 1.175 530 A CA 1.732 53.846 52.037 0.127 0.000 0.628 530 A CB -0.611 18.449 19.000 0.101 0.000 0.814 530 A HN 0.225 nan 8.150 nan 0.000 0.444 531 R N -0.418 120.118 120.500 0.060 0.000 2.115 531 R HA 0.087 5.670 4.340 2.071 0.000 0.226 531 R C 1.839 178.169 176.300 0.051 0.000 1.100 531 R CA 1.816 57.941 56.100 0.041 0.000 0.980 531 R CB -0.727 29.587 30.300 0.024 0.000 0.875 531 R HN 0.543 nan 8.270 nan 0.000 0.445 532 M N -0.049 119.592 119.600 0.068 0.000 2.077 532 M HA -0.106 5.617 4.480 2.071 0.000 0.261 532 M C 2.217 178.536 176.300 0.031 0.000 1.070 532 M CA 2.272 57.599 55.300 0.045 0.000 1.125 532 M CB -0.330 32.282 32.600 0.019 0.000 1.339 532 M HN 0.257 nan 8.290 nan 0.000 0.409 533 E N 0.329 120.554 120.200 0.042 0.000 2.077 533 E HA -0.257 5.335 4.350 2.071 0.000 0.193 533 E C 1.999 178.605 176.600 0.010 0.000 0.989 533 E CA 1.314 57.728 56.400 0.023 0.000 0.800 533 E CB -0.089 29.633 29.700 0.037 0.000 0.746 533 E HN 0.423 nan 8.360 nan 0.000 0.452 534 E N 0.443 120.654 120.200 0.019 0.000 2.077 534 E HA -0.200 5.393 4.350 2.071 0.000 0.193 534 E C 1.910 178.507 176.600 -0.005 0.000 0.989 534 E CA 1.133 57.537 56.400 0.006 0.000 0.800 534 E CB -0.148 29.559 29.700 0.011 0.000 0.746 534 E HN 0.327 nan 8.360 nan 0.000 0.452 535 A N 0.658 123.481 122.820 0.005 0.000 1.933 535 A HA -0.176 5.386 4.320 2.071 0.000 0.218 535 A C 2.567 180.130 177.584 -0.036 0.000 1.175 535 A CA 1.459 53.496 52.037 -0.000 0.000 0.628 535 A CB -0.873 18.146 19.000 0.032 0.000 0.814 535 A HN 0.499 nan 8.150 nan 0.000 0.444 536 C N -0.390 118.883 119.300 -0.045 0.000 2.457 536 C HA -0.035 5.667 4.460 2.071 0.000 0.278 536 C C 2.629 177.550 174.990 -0.114 0.000 1.309 536 C CA 0.777 59.723 59.018 -0.119 0.000 1.735 536 C CB -1.372 26.307 27.740 -0.102 0.000 1.992 536 C HN 0.631 nan 8.230 nan 0.000 0.493 537 N N 1.749 120.408 118.700 -0.067 0.000 2.069 537 N HA -0.150 5.833 4.740 2.071 0.000 0.191 537 N C 1.477 176.952 175.510 -0.059 0.000 1.031 537 N CA 1.571 54.587 53.050 -0.057 0.000 0.852 537 N CB -0.848 37.619 38.487 -0.033 0.000 1.018 537 N HN 0.552 nan 8.380 nan 0.000 0.423 538 N N 0.853 119.523 118.700 -0.050 0.000 2.166 538 N HA -0.024 5.959 4.740 2.071 0.000 0.186 538 N C 1.732 177.205 175.510 -0.061 0.000 1.019 538 N CA 0.665 53.688 53.050 -0.045 0.000 0.856 538 N CB -0.185 38.284 38.487 -0.031 0.000 0.993 538 N HN 0.200 nan 8.380 nan 0.000 0.426 539 L N 0.036 121.202 121.223 -0.094 0.000 2.093 539 L HA -0.099 5.484 4.340 2.071 0.000 0.208 539 L C 2.181 178.977 176.870 -0.124 0.000 1.085 539 L CA 1.042 55.807 54.840 -0.124 0.000 0.755 539 L CB -0.264 41.662 42.059 -0.221 0.000 0.904 539 L HN 0.174 nan 8.230 nan 0.000 0.435 540 K N 0.066 120.388 120.400 -0.129 0.000 2.097 540 K HA -0.119 5.443 4.320 2.071 0.000 0.206 540 K C 2.165 178.722 176.600 -0.070 0.000 1.049 540 K CA 1.388 57.611 56.287 -0.106 0.000 0.933 540 K CB -0.221 32.221 32.500 -0.097 0.000 0.717 540 K HN 0.273 nan 8.250 nan 0.000 0.442 541 A N 1.202 123.987 122.820 -0.059 0.000 2.016 541 A HA -0.047 5.515 4.320 2.071 0.000 0.217 541 A C 1.525 179.088 177.584 -0.036 0.000 1.162 541 A CA 1.129 53.141 52.037 -0.042 0.000 0.662 541 A CB -0.003 18.975 19.000 -0.035 0.000 0.812 541 A HN 0.216 nan 8.150 nan 0.000 0.450 542 N N -1.114 117.564 118.700 -0.037 0.000 2.239 542 N HA 0.199 6.181 4.740 2.071 0.000 0.208 542 N C -0.029 175.470 175.510 -0.017 0.000 1.200 542 N CA -0.159 52.876 53.050 -0.025 0.000 0.895 542 N CB 0.285 38.761 38.487 -0.019 0.000 1.085 542 N HN 0.307 nan 8.380 nan 0.000 0.500 543 L N 3.244 124.455 121.223 -0.020 0.000 2.559 543 L HA 0.057 5.639 4.340 2.071 0.000 0.282 543 L C -1.874 174.989 176.870 -0.012 0.000 1.232 543 L CA -0.920 53.922 54.840 0.003 0.000 0.885 543 L CB -0.061 41.995 42.059 -0.006 0.000 1.131 543 L HN -0.174 nan 8.230 nan 0.000 0.498 544 P HA -0.074 nan 4.420 nan 0.000 0.266 544 P C 0.376 177.658 177.300 -0.031 0.000 1.193 544 P CA -0.063 63.017 63.100 -0.033 0.000 0.770 544 P CB 0.484 32.151 31.700 -0.055 0.000 0.836 545 E N 2.210 122.390 120.200 -0.034 0.000 2.118 545 E HA -0.195 5.397 4.350 2.071 0.000 0.195 545 E C 1.521 178.102 176.600 -0.032 0.000 0.992 545 E CA 1.110 57.491 56.400 -0.031 0.000 0.804 545 E CB -0.555 29.128 29.700 -0.029 0.000 0.741 545 E HN 0.146 nan 8.360 nan 0.000 0.458 546 V N 0.484 120.373 119.914 -0.041 0.000 2.469 546 V HA -0.225 5.137 4.120 2.071 0.000 0.251 546 V C 2.201 178.271 176.094 -0.039 0.000 1.064 546 V CA 2.186 64.457 62.300 -0.049 0.000 1.066 546 V CB -0.364 31.413 31.823 -0.075 0.000 0.667 546 V HN 0.526 nan 8.190 nan 0.000 0.461 547 A N -0.755 122.050 122.820 -0.026 0.000 1.911 547 A HA 0.034 5.597 4.320 2.071 0.000 0.212 547 A C 2.000 179.586 177.584 0.004 0.000 1.189 547 A CA 1.297 53.343 52.037 0.015 0.000 0.639 547 A CB -0.567 18.486 19.000 0.088 0.000 0.839 547 A HN 0.517 nan 8.150 nan 0.000 0.449 548 L N 0.333 121.546 121.223 -0.017 0.000 2.083 548 L HA -0.115 5.468 4.340 2.071 0.000 0.209 548 L C 2.063 178.906 176.870 -0.045 0.000 1.083 548 L CA 2.469 57.282 54.840 -0.044 0.000 0.752 548 L CB -0.636 41.394 42.059 -0.048 0.000 0.899 548 L HN 0.538 nan 8.230 nan 0.000 0.433 549 E N -0.531 119.650 120.200 -0.031 0.000 2.160 549 E HA -0.241 5.352 4.350 2.071 0.000 0.195 549 E C 1.873 178.455 176.600 -0.031 0.000 0.991 549 E CA 1.519 57.905 56.400 -0.023 0.000 0.810 549 E CB 0.027 29.721 29.700 -0.010 0.000 0.742 549 E HN 0.642 nan 8.360 nan 0.000 0.466 550 E N -1.168 119.005 120.200 -0.046 0.000 2.371 550 E HA -0.068 5.525 4.350 2.071 0.000 0.194 550 E C 1.524 178.022 176.600 -0.170 0.000 1.012 550 E CA 0.844 57.167 56.400 -0.128 0.000 0.860 550 E CB 0.355 29.991 29.700 -0.107 0.000 0.811 550 E HN 0.465 nan 8.360 nan 0.000 0.502 551 C N -1.349 117.904 119.300 -0.079 0.000 3.785 551 C HA 0.301 6.003 4.460 2.071 0.000 0.312 551 C C 2.469 177.423 174.990 -0.059 0.000 1.566 551 C CA -0.094 58.903 59.018 -0.034 0.000 1.837 551 C CB -0.544 27.231 27.740 0.057 0.000 2.826 551 C HN 0.236 nan 8.230 nan 0.000 0.667 552 S N 2.056 117.715 115.700 -0.069 0.000 2.419 552 S HA -0.154 5.559 4.470 2.071 0.000 0.233 552 S C 1.886 176.459 174.600 -0.046 0.000 1.016 552 S CA 1.148 59.299 58.200 -0.081 0.000 0.974 552 S CB -0.578 62.585 63.200 -0.061 0.000 0.786 552 S HN 0.774 nan 8.310 nan 0.000 0.492 553 R N 0.575 121.075 120.500 -0.001 0.000 2.119 553 R HA 0.116 5.699 4.340 2.071 0.000 0.222 553 R C 2.512 178.837 176.300 0.041 0.000 1.088 553 R CA 1.197 57.315 56.100 0.030 0.000 0.984 553 R CB -0.260 30.089 30.300 0.082 0.000 0.884 553 R HN 0.427 nan 8.270 nan 0.000 0.447 554 Q N 0.577 120.418 119.800 0.068 0.000 2.172 554 Q HA -0.023 5.560 4.340 2.071 0.000 0.200 554 Q C 1.967 178.083 176.000 0.195 0.000 0.964 554 Q CA 1.009 56.906 55.803 0.156 0.000 0.855 554 Q CB -0.032 28.862 28.738 0.260 0.000 0.918 554 Q HN 0.285 nan 8.270 nan 0.000 0.444 555 L N 0.332 121.543 121.223 -0.020 0.000 2.017 555 L HA -0.225 5.358 4.340 2.071 0.000 0.208 555 L C 1.674 178.506 176.870 -0.064 0.000 1.073 555 L CA 1.179 55.894 54.840 -0.209 0.000 0.745 555 L CB -0.404 41.428 42.059 -0.379 0.000 0.894 555 L HN 0.229 nan 8.230 nan 0.000 0.432 556 D N -0.319 120.055 120.400 -0.043 0.000 2.117 556 D HA -0.225 5.658 4.640 2.071 0.000 0.197 556 D C 2.031 178.332 176.300 0.001 0.000 0.987 556 D CA 1.248 55.234 54.000 -0.022 0.000 0.829 556 D CB 0.013 40.804 40.800 -0.015 0.000 0.961 556 D HN 0.278 nan 8.370 nan 0.000 0.460 557 E N 0.390 120.604 120.200 0.023 0.000 2.085 557 E HA -0.162 5.430 4.350 2.071 0.000 0.194 557 E C 1.959 178.575 176.600 0.027 0.000 0.994 557 E CA 0.666 57.081 56.400 0.026 0.000 0.801 557 E CB -0.312 29.408 29.700 0.033 0.000 0.743 557 E HN 0.139 nan 8.360 nan 0.000 0.453 558 L N 0.052 121.308 121.223 0.055 0.000 2.217 558 L HA 0.087 5.669 4.340 2.071 0.000 0.211 558 L C 2.016 178.883 176.870 -0.006 0.000 1.107 558 L CA 1.180 56.039 54.840 0.032 0.000 0.783 558 L CB -0.198 41.921 42.059 0.100 0.000 0.919 558 L HN 0.268 nan 8.230 nan 0.000 0.442 559 I N -1.193 119.375 120.570 -0.003 0.000 2.226 559 I HA -0.298 5.115 4.170 2.071 0.000 0.245 559 I C 2.181 178.289 176.117 -0.015 0.000 1.100 559 I CA 1.603 62.895 61.300 -0.013 0.000 1.374 559 I CB -0.610 37.379 38.000 -0.019 0.000 1.057 559 I HN 0.219 nan 8.210 nan 0.000 0.413 560 T N 1.431 115.978 114.554 -0.012 0.000 2.684 560 T HA -0.150 5.442 4.350 2.071 0.000 0.267 560 T C 1.948 176.633 174.700 -0.025 0.000 1.036 560 T CA 1.326 63.417 62.100 -0.014 0.000 1.148 560 T CB -0.316 68.548 68.868 -0.007 0.000 0.863 560 T HN 0.228 nan 8.240 nan 0.000 0.436 561 L N 0.712 121.919 121.223 -0.026 0.000 2.017 561 L HA -0.118 5.465 4.340 2.071 0.000 0.208 561 L C 3.121 179.934 176.870 -0.096 0.000 1.073 561 L CA 1.382 56.197 54.840 -0.041 0.000 0.745 561 L CB -0.846 41.201 42.059 -0.019 0.000 0.894 561 L HN 0.251 nan 8.230 nan 0.000 0.432 562 A N -0.230 122.539 122.820 -0.085 0.000 1.917 562 A HA -0.289 5.273 4.320 2.071 0.000 0.219 562 A C 2.198 179.712 177.584 -0.118 0.000 1.182 562 A CA 1.892 53.867 52.037 -0.104 0.000 0.633 562 A CB -0.589 18.412 19.000 0.002 0.000 0.819 562 A HN 0.514 nan 8.150 nan 0.000 0.448 563 Q N -1.024 118.744 119.800 -0.054 0.000 2.170 563 Q HA -0.089 5.494 4.340 2.071 0.000 0.203 563 Q C 2.126 178.095 176.000 -0.051 0.000 0.976 563 Q CA 1.141 56.928 55.803 -0.027 0.000 0.858 563 Q CB -0.369 28.365 28.738 -0.008 0.000 0.907 563 Q HN 0.701 nan 8.270 nan 0.000 0.433 564 G N 0.584 109.339 108.800 -0.076 0.000 2.430 564 G HA2 -0.196 5.006 3.960 2.071 0.000 0.216 564 G HA3 -0.196 5.006 3.960 2.071 0.000 0.216 564 G C 0.863 175.701 174.900 -0.103 0.000 1.146 564 G CA 0.584 45.645 45.100 -0.065 0.000 0.793 564 G HN 0.195 nan 8.290 nan 0.000 0.537 565 D N 0.483 120.729 120.400 -0.258 0.000 2.117 565 D HA -0.068 5.814 4.640 2.071 0.000 0.198 565 D C 2.321 178.340 176.300 -0.468 0.000 0.982 565 D CA 0.677 54.368 54.000 -0.516 0.000 0.828 565 D CB -0.032 39.855 40.800 -1.522 0.000 0.967 565 D HN 0.132 nan 8.370 nan 0.000 0.464 566 K N 1.371 121.583 120.400 -0.313 0.000 2.002 566 K HA -0.053 5.510 4.320 2.071 0.000 0.209 566 K C 1.933 178.600 176.600 0.111 0.000 1.048 566 K CA 1.337 57.657 56.287 0.056 0.000 0.930 566 K CB -0.425 32.173 32.500 0.163 0.000 0.714 566 K HN 0.023 nan 8.250 nan 0.000 0.438 567 A N 0.653 123.507 122.820 0.057 0.000 1.972 567 A HA -0.114 5.448 4.320 2.071 0.000 0.219 567 A C 2.340 179.959 177.584 0.058 0.000 1.169 567 A CA 2.060 54.136 52.037 0.065 0.000 0.635 567 A CB -0.534 18.479 19.000 0.021 0.000 0.810 567 A HN 0.410 nan 8.150 nan 0.000 0.446 568 S N -0.185 115.536 115.700 0.036 0.000 2.356 568 S HA -0.097 5.615 4.470 2.071 0.000 0.223 568 S C 1.828 176.483 174.600 0.091 0.000 1.032 568 S CA 1.389 59.616 58.200 0.045 0.000 1.005 568 S CB -0.440 62.775 63.200 0.026 0.000 0.867 568 S HN 0.547 nan 8.310 nan 0.000 0.449 569 L N 1.432 122.718 121.223 0.105 0.000 2.012 569 L HA -0.196 5.386 4.340 2.071 0.000 0.210 569 L C 2.149 179.091 176.870 0.120 0.000 1.073 569 L CA 1.283 56.132 54.840 0.015 0.000 0.748 569 L CB -0.817 40.996 42.059 -0.410 0.000 0.891 569 L HN 0.225 nan 8.230 nan 0.000 0.431 570 D N -0.444 120.080 120.400 0.207 0.000 2.149 570 D HA -0.255 5.628 4.640 2.071 0.000 0.198 570 D C 2.122 178.520 176.300 0.164 0.000 0.990 570 D CA 1.330 55.465 54.000 0.225 0.000 0.839 570 D CB -0.122 40.788 40.800 0.183 0.000 0.948 570 D HN 0.303 nan 8.370 nan 0.000 0.460 571 M N -0.065 119.617 119.600 0.136 0.000 2.132 571 M HA -0.151 5.572 4.480 2.071 0.000 0.263 571 M C 1.622 178.054 176.300 0.221 0.000 1.065 571 M CA 1.059 56.464 55.300 0.175 0.000 1.122 571 M CB 0.158 32.819 32.600 0.103 0.000 1.365 571 M HN -0.089 nan 8.290 nan 0.000 0.411 572 I N -0.094 120.561 120.570 0.142 0.000 2.142 572 I HA -0.222 5.191 4.170 2.071 0.000 0.240 572 I C 2.447 178.609 176.117 0.075 0.000 1.078 572 I CA 1.139 62.491 61.300 0.086 0.000 1.343 572 I CB -1.624 36.403 38.000 0.045 0.000 1.046 572 I HN 0.151 nan 8.210 nan 0.000 0.405 573 V N 1.467 121.442 119.914 0.102 0.000 2.282 573 V HA -0.301 5.061 4.120 2.071 0.000 0.249 573 V C 2.823 178.970 176.094 0.088 0.000 1.057 573 V CA 1.958 64.318 62.300 0.099 0.000 1.032 573 V CB -1.266 30.645 31.823 0.146 0.000 0.645 573 V HN 0.484 nan 8.190 nan 0.000 0.447 574 A N -0.915 121.978 122.820 0.121 0.000 1.933 574 A HA -0.285 5.277 4.320 2.071 0.000 0.218 574 A C 2.180 179.805 177.584 0.068 0.000 1.175 574 A CA 1.963 54.071 52.037 0.119 0.000 0.628 574 A CB -0.448 18.665 19.000 0.188 0.000 0.814 574 A HN 0.656 nan 8.150 nan 0.000 0.444 575 Q N -0.400 119.421 119.800 0.036 0.000 2.050 575 Q HA -0.078 5.505 4.340 2.071 0.000 0.202 575 Q C 2.070 178.044 176.000 -0.044 0.000 0.980 575 Q CA 1.439 57.190 55.803 -0.087 0.000 0.840 575 Q CB -0.359 28.294 28.738 -0.141 0.000 0.898 575 Q HN 0.670 nan 8.270 nan 0.000 0.424 576 L N 0.924 122.140 121.223 -0.011 0.000 2.127 576 L HA -0.187 5.395 4.340 2.071 0.000 0.211 576 L C 1.467 178.342 176.870 0.007 0.000 1.089 576 L CA 0.679 55.518 54.840 -0.001 0.000 0.757 576 L CB -0.365 41.698 42.059 0.007 0.000 0.899 576 L HN 0.251 nan 8.230 nan 0.000 0.434 577 N N 0.053 118.763 118.700 0.018 0.000 2.398 577 N HA -0.054 5.928 4.740 2.071 0.000 0.188 577 N C 0.063 175.580 175.510 0.012 0.000 1.122 577 N CA 0.201 53.263 53.050 0.020 0.000 0.866 577 N CB 0.077 38.583 38.487 0.032 0.000 0.970 577 N HN 0.236 nan 8.380 nan 0.000 0.462 578 E N 0.387 120.586 120.200 -0.003 0.000 2.440 578 E HA -0.212 5.381 4.350 2.071 0.000 0.246 578 E C -0.850 175.752 176.600 0.004 0.000 1.165 578 E CA 0.414 56.805 56.400 -0.015 0.000 0.726 578 E CB -1.104 28.588 29.700 -0.012 0.000 1.271 578 E HN 0.294 nan 8.360 nan 0.000 0.397 579 D N 0.030 120.446 120.400 0.026 0.000 2.428 579 D HA 0.141 6.024 4.640 2.071 0.000 0.221 579 D C 0.734 177.083 176.300 0.082 0.000 1.123 579 D CA -0.022 54.007 54.000 0.048 0.000 0.869 579 D CB 1.073 41.907 40.800 0.057 0.000 1.032 579 D HN -0.091 nan 8.370 nan 0.000 0.506 580 T N 2.467 117.064 114.554 0.072 0.000 2.951 580 T HA -0.138 5.455 4.350 2.071 0.000 0.268 580 T C 1.495 176.293 174.700 0.163 0.000 1.073 580 T CA 1.229 63.398 62.100 0.114 0.000 1.134 580 T CB 0.181 69.091 68.868 0.071 0.000 0.884 580 T HN 0.650 nan 8.240 nan 0.000 0.479 581 E N 0.367 120.630 120.200 0.105 0.000 2.190 581 E HA 0.141 5.733 4.350 2.071 0.000 0.191 581 E C 2.273 178.918 176.600 0.075 0.000 0.978 581 E CA 0.698 57.146 56.400 0.079 0.000 0.839 581 E CB -0.210 29.520 29.700 0.050 0.000 0.787 581 E HN 0.384 nan 8.360 nan 0.000 0.473 582 A N 0.772 123.645 122.820 0.089 0.000 1.968 582 A HA -0.119 5.443 4.320 2.071 0.000 0.217 582 A C 1.999 179.646 177.584 0.106 0.000 1.169 582 A CA 1.108 53.194 52.037 0.081 0.000 0.638 582 A CB -0.892 18.157 19.000 0.081 0.000 0.812 582 A HN 0.568 nan 8.150 nan 0.000 0.446 583 Y N 0.683 120.998 120.300 0.025 0.000 2.089 583 Y HA -0.215 5.578 4.550 2.071 0.000 0.282 583 Y C 2.373 178.285 175.900 0.021 0.000 1.139 583 Y CA 2.109 60.224 58.100 0.025 0.000 1.123 583 Y CB -0.083 38.390 38.460 0.022 0.000 0.980 583 Y HN 0.272 nan 8.280 nan 0.000 0.493 584 E N 0.018 120.115 120.200 -0.172 0.000 2.085 584 E HA -0.240 5.353 4.350 2.071 0.000 0.194 584 E C 2.444 178.928 176.600 -0.192 0.000 0.994 584 E CA 1.450 57.697 56.400 -0.256 0.000 0.801 584 E CB -0.687 28.987 29.700 -0.044 0.000 0.743 584 E HN 0.478 nan 8.360 nan 0.000 0.453 585 S N 0.164 115.809 115.700 -0.093 0.000 2.406 585 S HA -0.027 5.685 4.470 2.071 0.000 0.228 585 S C 2.023 176.584 174.600 -0.065 0.000 1.020 585 S CA 1.109 59.275 58.200 -0.058 0.000 0.965 585 S CB 0.028 63.218 63.200 -0.016 0.000 0.798 585 S HN 0.259 nan 8.310 nan 0.000 0.488 586 A N 1.468 124.243 122.820 -0.074 0.000 1.929 586 A HA 0.056 5.619 4.320 2.071 0.000 0.216 586 A C 2.160 179.682 177.584 -0.103 0.000 1.176 586 A CA 1.429 53.435 52.037 -0.052 0.000 0.628 586 A CB -0.619 18.382 19.000 0.002 0.000 0.816 586 A HN 0.602 nan 8.150 nan 0.000 0.444 587 K N -0.016 120.250 120.400 -0.224 0.000 2.097 587 K HA -0.196 5.366 4.320 2.071 0.000 0.206 587 K C 2.018 178.529 176.600 -0.149 0.000 1.049 587 K CA 1.603 57.742 56.287 -0.247 0.000 0.933 587 K CB -0.154 32.052 32.500 -0.489 0.000 0.717 587 K HN 0.642 nan 8.250 nan 0.000 0.442 588 E N 0.665 120.786 120.200 -0.132 0.000 2.051 588 E HA -0.199 5.394 4.350 2.071 0.000 0.192 588 E C 2.011 178.578 176.600 -0.055 0.000 0.991 588 E CA 1.362 57.714 56.400 -0.081 0.000 0.799 588 E CB -0.087 29.573 29.700 -0.067 0.000 0.748 588 E HN 0.351 nan 8.360 nan 0.000 0.449 589 I N 1.087 121.628 120.570 -0.048 0.000 2.142 589 I HA -0.254 5.159 4.170 2.071 0.000 0.240 589 I C 2.695 178.794 176.117 -0.030 0.000 1.078 589 I CA 1.043 62.325 61.300 -0.030 0.000 1.343 589 I CB -0.454 37.536 38.000 -0.016 0.000 1.046 589 I HN 0.178 nan 8.210 nan 0.000 0.405 590 A N 0.305 123.102 122.820 -0.037 0.000 1.873 590 A HA -0.347 5.215 4.320 2.071 0.000 0.218 590 A C 2.260 179.824 177.584 -0.034 0.000 1.193 590 A CA 2.410 54.426 52.037 -0.035 0.000 0.629 590 A CB -0.824 18.152 19.000 -0.041 0.000 0.826 590 A HN 0.443 nan 8.150 nan 0.000 0.447 591 Q N 0.126 119.901 119.800 -0.042 0.000 2.084 591 Q HA -0.168 5.415 4.340 2.071 0.000 0.202 591 Q C 1.834 177.819 176.000 -0.025 0.000 0.978 591 Q CA 2.212 57.995 55.803 -0.035 0.000 0.844 591 Q CB -0.347 28.366 28.738 -0.042 0.000 0.898 591 Q HN 0.689 nan 8.270 nan 0.000 0.426 592 N N -0.190 118.496 118.700 -0.025 0.000 2.142 592 N HA -0.118 5.864 4.740 2.071 0.000 0.186 592 N C 1.379 176.881 175.510 -0.014 0.000 1.023 592 N CA 1.114 54.154 53.050 -0.018 0.000 0.852 592 N CB -0.136 38.341 38.487 -0.017 0.000 0.998 592 N HN 0.181 nan 8.380 nan 0.000 0.424 593 K N 0.977 121.367 120.400 -0.016 0.000 2.063 593 K HA -0.096 5.467 4.320 2.071 0.000 0.208 593 K C 1.996 178.590 176.600 -0.010 0.000 1.048 593 K CA 0.483 56.762 56.287 -0.014 0.000 0.928 593 K CB -0.734 31.754 32.500 -0.019 0.000 0.713 593 K HN 0.168 nan 8.250 nan 0.000 0.442 594 L N 2.057 123.274 121.223 -0.011 0.000 2.056 594 L HA -0.110 5.473 4.340 2.071 0.000 0.207 594 L C 1.573 178.442 176.870 -0.002 0.000 1.078 594 L CA 1.711 56.549 54.840 -0.004 0.000 0.749 594 L CB -0.710 41.345 42.059 -0.007 0.000 0.901 594 L HN 0.078 nan 8.230 nan 0.000 0.433 595 N N -0.677 118.020 118.700 -0.005 0.000 2.104 595 N HA -0.164 5.819 4.740 2.071 0.000 0.190 595 N C 1.730 177.240 175.510 0.000 0.000 1.024 595 N CA 1.923 54.972 53.050 -0.003 0.000 0.853 595 N CB -0.809 37.675 38.487 -0.005 0.000 1.008 595 N HN 0.406 nan 8.380 nan 0.000 0.424 596 T N 1.096 115.650 114.554 -0.001 0.000 2.684 596 T HA -0.137 5.456 4.350 2.071 0.000 0.267 596 T C 1.965 176.668 174.700 0.005 0.000 1.036 596 T CA 1.646 63.747 62.100 0.002 0.000 1.148 596 T CB -0.493 68.375 68.868 0.000 0.000 0.863 596 T HN 0.372 nan 8.240 nan 0.000 0.436 597 A N 1.251 124.073 122.820 0.003 0.000 1.883 597 A HA -0.033 5.530 4.320 2.071 0.000 0.217 597 A C 2.356 179.941 177.584 0.002 0.000 1.186 597 A CA 1.355 53.394 52.037 0.003 0.000 0.624 597 A CB -0.926 18.077 19.000 0.006 0.000 0.822 597 A HN 0.483 nan 8.150 nan 0.000 0.444 598 L N -0.577 120.649 121.223 0.005 0.000 2.083 598 L HA -0.127 5.455 4.340 2.071 0.000 0.209 598 L C 2.478 179.351 176.870 0.006 0.000 1.083 598 L CA 1.518 56.361 54.840 0.006 0.000 0.752 598 L CB -0.356 41.708 42.059 0.008 0.000 0.899 598 L HN 0.308 nan 8.230 nan 0.000 0.433 599 S N -1.030 114.676 115.700 0.009 0.000 2.562 599 S HA 0.034 5.747 4.470 2.071 0.000 0.221 599 S C 0.903 175.519 174.600 0.026 0.000 0.975 599 S CA -0.057 58.152 58.200 0.016 0.000 0.918 599 S CB 0.098 63.307 63.200 0.014 0.000 0.772 599 S HN 0.242 nan 8.310 nan 0.000 0.531 600 S N 1.122 116.836 115.700 0.022 0.000 2.584 600 S HA 0.322 6.035 4.470 2.071 0.000 0.273 600 S C 0.618 175.253 174.600 0.058 0.000 1.311 600 S CA -0.652 57.575 58.200 0.046 0.000 1.034 600 S CB 0.590 63.809 63.200 0.031 0.000 0.939 600 S HN 0.427 nan 8.310 nan 0.000 0.513 601 F N 2.703 122.624 119.950 -0.049 0.000 2.120 601 F HA -0.098 5.670 4.527 2.067 0.000 0.300 601 F C 1.306 177.045 175.800 -0.101 0.000 1.095 601 F CA 1.326 59.281 58.000 -0.075 0.000 1.249 601 F CB -0.303 38.660 39.000 -0.061 0.000 0.995 601 F HN 0.634 nan 8.300 nan 0.000 0.480 602 A N 0.741 123.497 122.820 -0.106 0.000 2.445 602 A HA 0.470 6.032 4.320 2.071 0.000 0.242 602 A C -0.652 176.795 177.584 -0.228 0.000 1.075 602 A CA -0.192 51.720 52.037 -0.209 0.000 0.777 602 A CB 0.385 19.378 19.000 -0.012 0.000 1.013 602 A HN 0.105 nan 8.150 nan 0.000 0.493 603 V N 3.155 122.919 119.914 -0.250 0.000 2.638 603 V HA 0.649 6.011 4.120 2.071 0.000 0.306 603 V C -0.404 175.653 176.094 -0.063 0.000 1.052 603 V CA -0.277 61.924 62.300 -0.165 0.000 0.885 603 V CB 1.488 33.149 31.823 -0.270 0.000 0.999 603 V HN 0.860 nan 8.190 nan 0.000 0.424 604 I N 2.888 123.458 120.570 -0.001 0.000 2.787 604 I HA 0.476 5.889 4.170 2.071 0.000 0.294 604 I C 0.263 176.416 176.117 0.060 0.000 1.365 604 I CA -0.037 61.277 61.300 0.023 0.000 1.029 604 I CB 2.259 40.273 38.000 0.022 0.000 1.313 604 I HN 0.732 nan 8.210 nan 0.000 0.431 605 S N 3.133 118.878 115.700 0.076 0.000 3.706 605 S HA -0.157 5.555 4.470 2.071 0.000 0.363 605 S C 0.946 175.603 174.600 0.096 0.000 0.999 605 S CA 1.387 59.660 58.200 0.120 0.000 1.143 605 S CB -0.813 62.535 63.200 0.247 0.000 0.902 605 S HN 0.857 nan 8.310 nan 0.000 0.476 606 E N 1.134 121.376 120.200 0.069 0.000 2.085 606 E HA -0.107 5.486 4.350 2.071 0.000 0.194 606 E C 1.852 178.493 176.600 0.067 0.000 0.994 606 E CA 1.414 57.854 56.400 0.066 0.000 0.801 606 E CB 0.003 29.736 29.700 0.056 0.000 0.743 606 E HN 0.440 nan 8.360 nan 0.000 0.453 607 K N 0.092 120.524 120.400 0.053 0.000 2.444 607 K HA 0.137 5.699 4.320 2.071 0.000 0.193 607 K C 0.851 177.509 176.600 0.096 0.000 1.024 607 K CA 0.226 56.548 56.287 0.058 0.000 1.077 607 K CB 0.793 33.308 32.500 0.025 0.000 0.833 607 K HN 0.066 nan 8.250 nan 0.000 0.517 608 V N -0.769 119.215 119.914 0.117 0.000 5.031 608 V HA 0.159 5.521 4.120 2.071 0.000 0.141 608 V C 1.780 178.002 176.094 0.214 0.000 0.996 608 V CA 0.589 62.976 62.300 0.145 0.000 1.362 608 V CB -0.640 31.221 31.823 0.063 0.000 2.079 608 V HN 0.052 nan 8.190 nan 0.000 0.492 609 A N -0.561 122.394 122.820 0.226 0.000 2.019 609 A HA -0.230 5.332 4.320 2.071 0.000 0.219 609 A C 2.056 179.731 177.584 0.151 0.000 1.164 609 A CA 2.342 54.487 52.037 0.179 0.000 0.644 609 A CB -0.475 18.598 19.000 0.122 0.000 0.805 609 A HN 0.671 nan 8.150 nan 0.000 0.449 610 Q N -1.155 118.727 119.800 0.136 0.000 2.165 610 Q HA -0.056 5.527 4.340 2.071 0.000 0.197 610 Q C 2.269 178.343 176.000 0.122 0.000 0.952 610 Q CA 1.266 57.130 55.803 0.102 0.000 0.848 610 Q CB -0.143 28.640 28.738 0.075 0.000 0.931 610 Q HN 0.549 nan 8.270 nan 0.000 0.470 611 S N -0.126 115.662 115.700 0.147 0.000 2.382 611 S HA -0.148 5.565 4.470 2.071 0.000 0.228 611 S C 1.586 176.318 174.600 0.220 0.000 1.027 611 S CA 0.927 59.215 58.200 0.146 0.000 0.991 611 S CB -0.487 62.799 63.200 0.143 0.000 0.823 611 S HN 0.527 nan 8.310 nan 0.000 0.469 612 F N 2.405 122.448 119.950 0.155 0.000 2.085 612 F HA -0.188 5.582 4.527 2.071 0.000 0.299 612 F C 1.776 177.699 175.800 0.206 0.000 1.096 612 F CA 1.741 59.887 58.000 0.244 0.000 1.227 612 F CB -0.502 38.609 39.000 0.185 0.000 0.983 612 F HN 0.256 nan 8.300 nan 0.000 0.482 613 I N -0.385 120.259 120.570 0.124 0.000 2.252 613 I HA -0.316 5.096 4.170 2.071 0.000 0.245 613 I C 2.333 178.418 176.117 -0.054 0.000 1.102 613 I CA 1.427 62.721 61.300 -0.010 0.000 1.385 613 I CB -0.732 37.281 38.000 0.021 0.000 1.064 613 I HN 0.237 nan 8.210 nan 0.000 0.414 614 Q N 0.779 120.567 119.800 -0.019 0.000 2.079 614 Q HA -0.221 5.362 4.340 2.071 0.000 0.200 614 Q C 2.113 178.049 176.000 -0.108 0.000 0.974 614 Q CA 1.500 57.276 55.803 -0.046 0.000 0.840 614 Q CB -0.159 28.567 28.738 -0.019 0.000 0.898 614 Q HN 0.519 nan 8.270 nan 0.000 0.430 615 E N 0.879 121.005 120.200 -0.124 0.000 2.058 615 E HA -0.234 5.358 4.350 2.071 0.000 0.194 615 E C 1.993 178.315 176.600 -0.465 0.000 0.997 615 E CA 1.236 57.455 56.400 -0.302 0.000 0.801 615 E CB -0.206 29.358 29.700 -0.226 0.000 0.746 615 E HN 0.384 nan 8.360 nan 0.000 0.450 616 A N 0.891 123.505 122.820 -0.343 0.000 1.902 616 A HA -0.150 5.412 4.320 2.071 0.000 0.217 616 A C 2.185 179.704 177.584 -0.109 0.000 1.181 616 A CA 1.097 52.995 52.037 -0.232 0.000 0.623 616 A CB -0.643 18.271 19.000 -0.144 0.000 0.818 616 A HN 0.147 nan 8.150 nan 0.000 0.443 617 L N -0.264 120.906 121.223 -0.089 0.000 2.191 617 L HA -0.126 5.456 4.340 2.071 0.000 0.212 617 L C 2.329 179.180 176.870 -0.032 0.000 1.103 617 L CA 1.322 56.142 54.840 -0.033 0.000 0.769 617 L CB -0.127 41.908 42.059 -0.040 0.000 0.908 617 L HN 0.291 nan 8.230 nan 0.000 0.438 618 S N -1.467 114.175 115.700 -0.095 0.000 2.524 618 S HA 0.084 5.797 4.470 2.071 0.000 0.216 618 S C 0.522 175.055 174.600 -0.112 0.000 0.987 618 S CA -0.307 57.827 58.200 -0.109 0.000 0.909 618 S CB -0.007 63.097 63.200 -0.161 0.000 0.781 618 S HN 0.201 nan 8.310 nan 0.000 0.521 619 F N 3.409 123.186 119.950 -0.288 0.000 2.438 619 F HA 0.187 5.956 4.527 2.071 0.000 0.360 619 F C 0.062 175.789 175.800 -0.123 0.000 1.118 619 F CA -0.826 57.011 58.000 -0.271 0.000 1.164 619 F CB 0.395 39.131 39.000 -0.439 0.000 1.131 619 F HN -0.059 nan 8.300 nan 0.000 0.527 620 D N 6.979 127.496 120.400 0.194 0.000 2.347 620 D HA 0.166 6.049 4.640 2.071 0.000 0.235 620 D C 0.182 176.601 176.300 0.197 0.000 1.149 620 D CA 0.062 54.143 54.000 0.136 0.000 0.850 620 D CB 0.983 41.801 40.800 0.030 0.000 1.061 620 D HN 0.655 nan 8.370 nan 0.000 0.487 621 L N 2.992 124.286 121.223 0.119 0.000 2.769 621 L HA 0.077 5.659 4.340 2.071 0.000 0.240 621 L C 1.858 178.705 176.870 -0.039 0.000 1.163 621 L CA 0.090 54.970 54.840 0.067 0.000 0.962 621 L CB 0.404 42.463 42.059 0.000 0.000 1.258 621 L HN 0.401 nan 8.230 nan 0.000 0.513 622 T N -2.977 111.529 114.554 -0.079 0.000 3.169 622 T HA 0.184 5.776 4.350 2.071 0.000 0.250 622 T C 0.675 175.343 174.700 -0.052 0.000 1.111 622 T CA -0.147 61.883 62.100 -0.118 0.000 1.010 622 T CB -0.262 68.500 68.868 -0.175 0.000 0.984 622 T HN 0.060 nan 8.240 nan 0.000 0.537 623 L N 1.832 123.045 121.223 -0.017 0.000 2.342 623 L HA 0.580 6.162 4.340 2.071 0.000 0.285 623 L C -0.213 176.656 176.870 -0.002 0.000 1.095 623 L CA -0.491 54.346 54.840 -0.005 0.000 0.843 623 L CB 0.328 42.393 42.059 0.010 0.000 1.201 623 L HN 0.268 nan 8.230 nan 0.000 0.445 624 I N 0.000 120.565 120.570 -0.008 0.000 2.984 624 I HA 0.000 5.413 4.170 2.071 0.000 0.288 624 I CA 0.000 61.297 61.300 -0.006 0.000 1.566 624 I CB 0.000 37.992 38.000 -0.013 0.000 1.214 624 I HN 0.000 nan 8.210 nan 0.000 0.494