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 2wdv_1_I DATA FIRST_RESID 1 DATA SEQUENCE MKLPVREFDA VVIGAGGAGM RAALQISQSG QTCALLSKVF PTRSHTVSAQ DATA SEQUENCE GGITVALGNT HEDNWEWHMY DTVKGSDYIG DQDAIEYMCK TGPEAILELE DATA SEQUENCE HMGLPFSRLD DGRIYQRPFG GQSKNFGGEQ AARTAAAADR TGHALLHTLY DATA SEQUENCE QQNLKNHTTI FSEWYALDLV KNQDGAVVGC TALCIETGEV VYFKARATVL DATA SEQUENCE ATGGAGRIYQ STTNAHINTG DGVGMAIRAG VPVQDMEMWQ FHPTGIAGAG DATA SEQUENCE VLVTEGCRGE GGYLLNKHGE RFMERYAPNA KDLAGRDVVA RSIMIEIREG DATA SEQUENCE RGCDGPWGPH AKLKLDHLGK EVLESRLPGI LELSRTFAHV DPVKEPIPVI DATA SEQUENCE PTCHYMMGGI PTKVTGQALT VNEKGEDVVV PGLFAVGEIA CVSVHGANRL DATA SEQUENCE GGNSLLDLVV FGRAAGLHLQ ESIAEQGALR DASESDVEAS LDRLNRWNNN DATA SEQUENCE RNGEDPVAIR KALQECMQHN FSVFREGDAM AKGLEQLKVI RERLKNARLD DATA SEQUENCE DTSSEFNTQR VECLELDNLM ETAYATAVSA NFRTESRGAH SRFDFPDRDD DATA SEQUENCE ENWLCHSLYL PESESMTRRS VNMEPKLRPA FPPKIRTY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.316 176.300 0.027 0.000 1.140 1 M CA 0.000 55.320 55.300 0.033 0.000 0.988 1 M CB 0.000 32.630 32.600 0.050 0.000 1.302 2 K N 1.970 122.385 120.400 0.026 0.000 2.618 2 K HA 0.528 4.848 4.320 -0.000 0.000 0.207 2 K C -1.209 175.411 176.600 0.033 0.000 1.058 2 K CA -0.051 56.251 56.287 0.025 0.000 1.086 2 K CB 0.529 33.040 32.500 0.018 0.000 0.827 2 K HN 0.672 nan 8.250 nan 0.000 0.481 3 L N 1.076 122.326 121.223 0.045 0.000 2.431 3 L HA 0.475 4.815 4.340 -0.000 0.000 0.266 3 L C -2.629 174.278 176.870 0.060 0.000 0.978 3 L CA -1.787 53.088 54.840 0.059 0.000 0.822 3 L CB 2.100 44.202 42.059 0.070 0.000 1.310 3 L HN -0.095 nan 8.230 nan 0.000 0.409 4 P HA 0.189 nan 4.420 nan 0.000 0.268 4 P C -1.245 176.039 177.300 -0.027 0.000 1.204 4 P CA -0.126 62.981 63.100 0.012 0.000 0.768 4 P CB 0.707 32.417 31.700 0.018 0.000 0.842 5 V N 5.252 125.125 119.914 -0.068 0.000 2.417 5 V HA 0.383 4.503 4.120 -0.000 0.000 0.291 5 V C 0.453 176.386 176.094 -0.268 0.000 1.024 5 V CA -0.537 61.669 62.300 -0.158 0.000 0.861 5 V CB 1.284 33.053 31.823 -0.090 0.000 0.985 5 V HN 0.435 nan 8.190 nan 0.000 0.436 6 R N 3.313 123.559 120.500 -0.425 0.000 2.288 6 R HA 0.479 4.819 4.340 -0.000 0.000 0.326 6 R C -0.453 175.651 176.300 -0.327 0.000 0.959 6 R CA -0.499 55.367 56.100 -0.390 0.000 0.834 6 R CB 2.156 32.183 30.300 -0.455 0.000 1.157 6 R HN 0.764 nan 8.270 nan 0.000 0.470 7 E N 3.289 123.238 120.200 -0.418 0.000 2.231 7 E HA 0.415 4.765 4.350 -0.000 0.000 0.277 7 E C -1.139 175.131 176.600 -0.551 0.000 0.999 7 E CA -0.391 55.810 56.400 -0.331 0.000 0.827 7 E CB 0.795 30.336 29.700 -0.265 0.000 1.101 7 E HN 0.292 nan 8.360 nan 0.000 0.393 8 F N 1.143 121.052 119.950 -0.068 0.000 2.664 8 F HA 0.207 4.734 4.527 -0.000 0.000 0.317 8 F C 0.829 176.608 175.800 -0.035 0.000 1.108 8 F CA -0.848 57.133 58.000 -0.030 0.000 0.957 8 F CB 1.451 40.450 39.000 -0.002 0.000 1.365 8 F HN 0.411 nan 8.300 nan 0.000 0.475 9 D N 0.644 121.144 120.400 0.167 0.000 2.123 9 D HA 0.123 4.763 4.640 -0.000 0.000 0.200 9 D C 0.239 176.571 176.300 0.053 0.000 0.976 9 D CA 1.276 55.321 54.000 0.074 0.000 0.831 9 D CB 0.115 40.940 40.800 0.040 0.000 0.974 9 D HN 0.403 nan 8.370 nan 0.000 0.469 10 A N 0.154 123.009 122.820 0.058 0.000 2.398 10 A HA 0.545 4.865 4.320 -0.000 0.000 0.301 10 A C -0.984 176.562 177.584 -0.064 0.000 1.041 10 A CA -0.553 51.465 52.037 -0.032 0.000 0.711 10 A CB 2.020 20.958 19.000 -0.103 0.000 1.240 10 A HN -0.097 nan 8.150 nan 0.000 0.420 11 V N 3.093 122.951 119.914 -0.094 0.000 2.334 11 V HA 0.322 4.442 4.120 -0.000 0.000 0.281 11 V C -0.243 175.740 176.094 -0.184 0.000 1.016 11 V CA -0.490 61.690 62.300 -0.200 0.000 0.832 11 V CB 1.302 33.021 31.823 -0.173 0.000 0.999 11 V HN 0.631 nan 8.190 nan 0.000 0.439 12 V N 6.899 126.688 119.914 -0.208 0.000 2.385 12 V HA 0.373 4.493 4.120 -0.000 0.000 0.269 12 V C 0.246 176.232 176.094 -0.180 0.000 1.043 12 V CA -0.238 61.967 62.300 -0.158 0.000 0.906 12 V CB 1.310 33.053 31.823 -0.132 0.000 0.995 12 V HN 0.672 nan 8.190 nan 0.000 0.467 13 I N 5.401 125.882 120.570 -0.149 0.000 2.269 13 I HA 0.622 4.792 4.170 -0.000 0.000 0.293 13 I C 0.810 176.857 176.117 -0.118 0.000 1.106 13 I CA 0.204 61.407 61.300 -0.161 0.000 1.248 13 I CB 0.466 38.376 38.000 -0.150 0.000 1.444 13 I HN 0.839 nan 8.210 nan 0.000 0.497 14 G N 4.427 113.160 108.800 -0.111 0.000 2.957 14 G HA2 0.225 4.185 3.960 -0.000 0.000 0.636 14 G HA3 0.225 4.185 3.960 -0.000 0.000 0.636 14 G C -0.644 174.214 174.900 -0.070 0.000 1.401 14 G CA -0.391 44.662 45.100 -0.078 0.000 0.941 14 G HN 0.729 nan 8.290 nan 0.000 0.610 15 A N 1.434 124.214 122.820 -0.067 0.000 3.154 15 A HA 0.809 5.129 4.320 -0.000 0.000 0.310 15 A C 1.171 178.709 177.584 -0.076 0.000 1.093 15 A CA 0.926 52.918 52.037 -0.074 0.000 1.006 15 A CB -0.140 18.806 19.000 -0.090 0.000 1.084 15 A HN 1.973 nan 8.150 nan 0.000 0.549 16 G N -0.524 108.247 108.800 -0.049 0.000 2.543 16 G HA2 0.437 4.397 3.960 -0.000 0.000 0.267 16 G HA3 0.437 4.397 3.960 -0.000 0.000 0.267 16 G C 1.144 176.026 174.900 -0.029 0.000 1.406 16 G CA 0.125 45.203 45.100 -0.037 0.000 1.048 16 G HN 0.585 nan 8.290 nan 0.000 0.548 17 G N 0.040 108.833 108.800 -0.011 0.000 2.553 17 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.218 17 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.218 17 G C 1.975 176.882 174.900 0.012 0.000 1.195 17 G CA 2.264 47.364 45.100 0.001 0.000 0.779 17 G HN 0.986 nan 8.290 nan 0.000 0.577 18 A N 0.564 123.403 122.820 0.031 0.000 1.897 18 A HA 0.241 4.561 4.320 -0.000 0.000 0.215 18 A C 2.732 180.324 177.584 0.013 0.000 1.181 18 A CA 1.995 54.058 52.037 0.042 0.000 0.620 18 A CB -1.043 18.000 19.000 0.072 0.000 0.821 18 A HN 0.614 nan 8.150 nan 0.000 0.443 19 G N -0.533 108.263 108.800 -0.007 0.000 2.446 19 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.217 19 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.217 19 G C 1.647 176.523 174.900 -0.040 0.000 1.168 19 G CA 1.225 46.306 45.100 -0.031 0.000 0.771 19 G HN 0.435 nan 8.290 nan 0.000 0.551 20 M N -0.434 119.144 119.600 -0.037 0.000 2.229 20 M HA 0.007 4.487 4.480 -0.000 0.000 0.264 20 M C 2.610 178.886 176.300 -0.039 0.000 1.063 20 M CA 1.191 56.466 55.300 -0.042 0.000 1.114 20 M CB -0.100 32.476 32.600 -0.039 0.000 1.387 20 M HN 0.166 nan 8.290 nan 0.000 0.420 21 R N 0.734 121.219 120.500 -0.025 0.000 2.090 21 R HA 0.025 4.365 4.340 -0.000 0.000 0.228 21 R C 2.009 178.294 176.300 -0.024 0.000 1.110 21 R CA 1.775 57.863 56.100 -0.021 0.000 0.973 21 R CB -0.594 29.704 30.300 -0.003 0.000 0.869 21 R HN 0.301 nan 8.270 nan 0.000 0.440 22 A N 0.246 123.053 122.820 -0.021 0.000 1.898 22 A HA 0.039 4.359 4.320 -0.000 0.000 0.216 22 A C 2.344 179.896 177.584 -0.054 0.000 1.181 22 A CA 1.531 53.549 52.037 -0.031 0.000 0.620 22 A CB -1.034 17.950 19.000 -0.026 0.000 0.819 22 A HN 0.447 nan 8.150 nan 0.000 0.442 23 A N -0.350 122.435 122.820 -0.059 0.000 1.865 23 A HA -0.108 4.212 4.320 -0.000 0.000 0.217 23 A C 2.115 179.664 177.584 -0.058 0.000 1.191 23 A CA 1.820 53.816 52.037 -0.068 0.000 0.623 23 A CB -0.781 18.175 19.000 -0.073 0.000 0.826 23 A HN 0.599 nan 8.150 nan 0.000 0.444 24 L N -0.643 120.547 121.223 -0.055 0.000 2.043 24 L HA -0.230 4.110 4.340 -0.000 0.000 0.212 24 L C 2.539 179.382 176.870 -0.046 0.000 1.075 24 L CA 2.709 57.517 54.840 -0.053 0.000 0.752 24 L CB -0.561 41.466 42.059 -0.053 0.000 0.891 24 L HN 0.561 nan 8.230 nan 0.000 0.432 25 Q N -0.710 119.063 119.800 -0.046 0.000 2.163 25 Q HA -0.054 4.286 4.340 -0.000 0.000 0.198 25 Q C 2.111 178.080 176.000 -0.051 0.000 0.954 25 Q CA 1.549 57.324 55.803 -0.047 0.000 0.851 25 Q CB -0.231 28.479 28.738 -0.047 0.000 0.928 25 Q HN 0.609 nan 8.270 nan 0.000 0.459 26 I N -0.218 120.317 120.570 -0.057 0.000 2.226 26 I HA -0.271 3.899 4.170 -0.000 0.000 0.245 26 I C 2.376 178.469 176.117 -0.041 0.000 1.100 26 I CA 1.337 62.600 61.300 -0.061 0.000 1.374 26 I CB -0.436 37.517 38.000 -0.078 0.000 1.057 26 I HN 0.219 nan 8.210 nan 0.000 0.413 27 S N 0.225 115.904 115.700 -0.034 0.000 2.356 27 S HA -0.237 4.233 4.470 -0.000 0.000 0.223 27 S C 1.913 176.504 174.600 -0.015 0.000 1.032 27 S CA 1.509 59.699 58.200 -0.018 0.000 1.005 27 S CB -0.153 63.035 63.200 -0.019 0.000 0.867 27 S HN 0.448 nan 8.310 nan 0.000 0.449 28 Q N 0.220 120.006 119.800 -0.024 0.000 2.482 28 Q HA 0.176 4.516 4.340 -0.000 0.000 0.209 28 Q C 0.794 176.780 176.000 -0.023 0.000 0.961 28 Q CA 0.416 56.206 55.803 -0.022 0.000 0.945 28 Q CB 0.165 28.887 28.738 -0.027 0.000 1.012 28 Q HN 0.335 nan 8.270 nan 0.000 0.515 29 S N -0.770 114.914 115.700 -0.027 0.000 2.561 29 S HA 0.276 4.746 4.470 -0.000 0.000 0.245 29 S C 0.957 175.546 174.600 -0.018 0.000 1.001 29 S CA 0.324 58.508 58.200 -0.027 0.000 1.002 29 S CB 0.814 63.991 63.200 -0.038 0.000 0.805 29 S HN 0.616 nan 8.310 nan 0.000 0.458 30 G N 1.270 110.063 108.800 -0.012 0.000 2.253 30 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.251 30 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.251 30 G C 0.005 174.905 174.900 -0.000 0.000 0.998 30 G CA -0.098 44.999 45.100 -0.005 0.000 0.621 30 G HN 0.520 nan 8.290 nan 0.000 0.524 31 Q N 1.275 121.073 119.800 -0.003 0.000 2.260 31 Q HA 0.552 4.892 4.340 -0.000 0.000 0.242 31 Q C 0.852 176.868 176.000 0.027 0.000 0.932 31 Q CA 0.286 56.093 55.803 0.006 0.000 0.891 31 Q CB 1.077 29.811 28.738 -0.007 0.000 1.222 31 Q HN 0.485 nan 8.270 nan 0.000 0.453 32 T N -2.011 112.577 114.554 0.056 0.000 2.899 32 T HA 0.455 4.805 4.350 -0.000 0.000 0.295 32 T C -0.317 174.482 174.700 0.164 0.000 1.033 32 T CA -0.760 61.414 62.100 0.123 0.000 1.084 32 T CB 0.979 69.933 68.868 0.144 0.000 0.979 32 T HN 0.682 nan 8.240 nan 0.000 0.532 33 C N 2.437 121.853 119.300 0.194 0.000 2.832 33 C HA 0.718 5.178 4.460 -0.000 0.000 0.383 33 C C -0.254 174.644 174.990 -0.153 0.000 1.046 33 C CA -0.334 58.699 59.018 0.024 0.000 1.242 33 C CB -0.152 27.572 27.740 -0.027 0.000 1.693 33 C HN 1.336 nan 8.230 nan 0.000 0.497 34 A N 4.970 127.465 122.820 -0.542 0.000 2.290 34 A HA 0.736 5.056 4.320 -0.000 0.000 0.310 34 A C -0.915 176.448 177.584 -0.368 0.000 1.202 34 A CA -0.407 51.206 52.037 -0.708 0.000 0.837 34 A CB 0.816 18.921 19.000 -1.493 0.000 1.139 34 A HN 1.284 nan 8.150 nan 0.000 0.509 35 L N 3.792 124.902 121.223 -0.189 0.000 2.301 35 L HA 0.562 4.902 4.340 -0.000 0.000 0.278 35 L C -1.232 175.566 176.870 -0.120 0.000 1.022 35 L CA -0.301 54.447 54.840 -0.154 0.000 0.854 35 L CB 0.739 42.738 42.059 -0.099 0.000 1.226 35 L HN 0.570 nan 8.230 nan 0.000 0.429 36 L N 3.695 124.783 121.223 -0.225 0.000 2.350 36 L HA 0.697 5.037 4.340 -0.000 0.000 0.275 36 L C 0.235 177.057 176.870 -0.080 0.000 1.099 36 L CA 0.355 55.080 54.840 -0.193 0.000 0.808 36 L CB 1.633 43.457 42.059 -0.391 0.000 1.149 36 L HN 0.684 nan 8.230 nan 0.000 0.442 37 S N 0.641 116.357 115.700 0.026 0.000 2.562 37 S HA 0.328 4.798 4.470 -0.000 0.000 0.274 37 S C 0.400 175.064 174.600 0.106 0.000 1.160 37 S CA -0.740 57.478 58.200 0.029 0.000 0.933 37 S CB 0.957 64.156 63.200 -0.002 0.000 1.100 37 S HN 0.712 nan 8.310 nan 0.000 0.468 38 K N 2.112 122.560 120.400 0.081 0.000 2.288 38 K HA 0.097 4.417 4.320 -0.000 0.000 0.201 38 K C 0.785 177.465 176.600 0.132 0.000 1.048 38 K CA 1.003 57.370 56.287 0.133 0.000 0.956 38 K CB -0.443 32.163 32.500 0.177 0.000 0.746 38 K HN 0.438 nan 8.250 nan 0.000 0.461 39 V N -1.801 118.182 119.914 0.115 0.000 3.019 39 V HA 0.422 4.542 4.120 -0.000 0.000 0.317 39 V C -0.177 176.008 176.094 0.152 0.000 1.094 39 V CA -1.524 60.863 62.300 0.144 0.000 1.000 39 V CB 0.953 32.847 31.823 0.119 0.000 1.060 39 V HN 0.110 nan 8.190 nan 0.000 0.443 40 F N 4.143 124.115 119.950 0.037 0.000 2.608 40 F HA 0.312 4.839 4.527 -0.000 0.000 0.380 40 F C -1.479 174.263 175.800 -0.098 0.000 1.083 40 F CA -1.300 56.687 58.000 -0.021 0.000 1.266 40 F CB 0.734 39.708 39.000 -0.044 0.000 1.076 40 F HN 0.443 nan 8.300 nan 0.000 0.574 41 P HA -0.263 nan 4.420 nan 0.000 0.219 41 P C 1.391 178.340 177.300 -0.584 0.000 1.158 41 P CA 2.963 65.697 63.100 -0.609 0.000 0.895 41 P CB -0.270 31.039 31.700 -0.651 0.000 0.792 42 T N -3.711 110.332 114.554 -0.851 0.000 3.284 42 T HA 0.054 4.404 4.350 -0.000 0.000 0.252 42 T C 1.147 175.709 174.700 -0.229 0.000 1.144 42 T CA 0.133 61.878 62.100 -0.592 0.000 1.021 42 T CB -0.590 67.762 68.868 -0.861 0.000 0.984 42 T HN 0.075 nan 8.240 nan 0.000 0.545 43 R N 0.888 121.327 120.500 -0.101 0.000 2.432 43 R HA 0.327 4.667 4.340 -0.000 0.000 0.260 43 R C 0.204 176.518 176.300 0.025 0.000 0.935 43 R CA -0.162 55.955 56.100 0.028 0.000 1.080 43 R CB 0.213 30.579 30.300 0.110 0.000 1.155 43 R HN 0.300 nan 8.270 nan 0.000 0.531 44 S N 0.870 116.552 115.700 -0.031 0.000 2.584 44 S HA -0.026 4.444 4.470 -0.000 0.000 0.270 44 S C 1.104 175.738 174.600 0.057 0.000 1.346 44 S CA -0.299 57.906 58.200 0.009 0.000 1.018 44 S CB 0.880 64.060 63.200 -0.034 0.000 0.899 44 S HN 0.372 nan 8.310 nan 0.000 0.542 45 H N 2.244 121.311 119.070 -0.004 0.000 2.390 45 H HA -0.103 4.453 4.556 0.000 0.000 0.298 45 H C 1.856 177.193 175.328 0.014 0.000 1.106 45 H CA 2.393 58.444 56.048 0.006 0.000 1.297 45 H CB -0.679 29.082 29.762 -0.002 0.000 1.375 45 H HN 0.626 nan 8.280 nan 0.000 0.509 46 T N -0.493 114.031 114.554 -0.050 0.000 2.848 46 T HA -0.200 4.150 4.350 -0.000 0.000 0.269 46 T C 2.148 176.788 174.700 -0.099 0.000 1.081 46 T CA 1.206 63.254 62.100 -0.086 0.000 1.125 46 T CB -0.679 68.171 68.868 -0.031 0.000 0.848 46 T HN 0.268 nan 8.240 nan 0.000 0.503 47 V N 0.876 120.743 119.914 -0.079 0.000 2.626 47 V HA -0.105 4.015 4.120 -0.000 0.000 0.252 47 V C 2.225 178.324 176.094 0.008 0.000 1.067 47 V CA 1.796 64.094 62.300 -0.003 0.000 1.081 47 V CB -0.412 31.433 31.823 0.036 0.000 0.686 47 V HN 0.427 nan 8.190 nan 0.000 0.468 48 S N 0.433 116.059 115.700 -0.125 0.000 2.561 48 S HA 0.268 4.738 4.470 -0.000 0.000 0.225 48 S C 0.983 175.510 174.600 -0.121 0.000 0.977 48 S CA 0.443 58.556 58.200 -0.144 0.000 0.926 48 S CB -0.362 62.672 63.200 -0.276 0.000 0.769 48 S HN 0.732 nan 8.310 nan 0.000 0.533 49 A N 1.091 123.843 122.820 -0.113 0.000 2.483 49 A HA 0.292 4.612 4.320 -0.000 0.000 0.238 49 A C 0.852 178.456 177.584 0.034 0.000 1.070 49 A CA -0.025 51.998 52.037 -0.024 0.000 0.770 49 A CB 0.345 19.342 19.000 -0.005 0.000 1.008 49 A HN 0.449 nan 8.150 nan 0.000 0.497 50 Q N 1.655 121.498 119.800 0.071 0.000 2.631 50 Q HA 0.124 4.464 4.340 -0.000 0.000 0.220 50 Q C 2.139 178.214 176.000 0.126 0.000 0.819 50 Q CA 0.510 56.365 55.803 0.087 0.000 0.914 50 Q CB 0.010 28.794 28.738 0.077 0.000 1.248 50 Q HN 0.884 nan 8.270 nan 0.000 0.629 51 G N 0.738 109.657 108.800 0.198 0.000 2.545 51 G HA2 0.144 4.104 3.960 -0.000 0.000 0.217 51 G HA3 0.144 4.104 3.960 -0.000 0.000 0.217 51 G C 0.621 175.532 174.900 0.018 0.000 1.218 51 G CA 1.056 46.325 45.100 0.281 0.000 0.787 51 G HN 0.533 nan 8.290 nan 0.000 0.571 52 G N -1.588 107.146 108.800 -0.109 0.000 2.352 52 G HA2 0.315 4.275 3.960 -0.000 0.000 0.283 52 G HA3 0.315 4.275 3.960 -0.000 0.000 0.283 52 G C -1.520 173.283 174.900 -0.161 0.000 1.308 52 G CA -0.560 44.473 45.100 -0.111 0.000 0.892 52 G HN 0.509 nan 8.290 nan 0.000 0.504 53 I N 1.360 121.873 120.570 -0.096 0.000 2.330 53 I HA 0.372 4.542 4.170 -0.000 0.000 0.289 53 I C 0.249 176.265 176.117 -0.168 0.000 1.001 53 I CA -0.581 60.670 61.300 -0.081 0.000 1.193 53 I CB 1.826 39.842 38.000 0.026 0.000 1.345 53 I HN 0.326 nan 8.210 nan 0.000 0.461 54 T N 6.032 120.477 114.554 -0.181 0.000 2.779 54 T HA 0.424 4.774 4.350 -0.000 0.000 0.296 54 T C -0.337 174.214 174.700 -0.249 0.000 0.938 54 T CA -0.215 61.740 62.100 -0.242 0.000 1.119 54 T CB 0.995 69.751 68.868 -0.187 0.000 0.891 54 T HN 0.405 nan 8.240 nan 0.000 0.526 55 V N 2.471 122.189 119.914 -0.326 0.000 2.966 55 V HA 0.581 4.701 4.120 -0.000 0.000 0.288 55 V C -0.820 175.146 176.094 -0.215 0.000 1.380 55 V CA -0.987 61.173 62.300 -0.234 0.000 0.966 55 V CB 1.735 33.486 31.823 -0.120 0.000 1.115 55 V HN 0.984 nan 8.190 nan 0.000 0.436 56 A N 6.634 129.390 122.820 -0.106 0.000 3.030 56 A HA 0.378 4.697 4.320 -0.000 0.000 0.273 56 A C 0.891 178.409 177.584 -0.109 0.000 1.841 56 A CA 0.135 52.125 52.037 -0.079 0.000 1.479 56 A CB -0.552 18.477 19.000 0.050 0.000 1.048 56 A HN 0.932 nan 8.150 nan 0.000 0.612 57 L N 1.183 122.305 121.223 -0.168 0.000 2.209 57 L HA 0.114 4.454 4.340 -0.000 0.000 0.207 57 L C 1.878 178.648 176.870 -0.168 0.000 1.094 57 L CA 0.889 55.627 54.840 -0.170 0.000 0.790 57 L CB -0.251 41.681 42.059 -0.211 0.000 0.932 57 L HN 0.844 nan 8.230 nan 0.000 0.447 58 G N 0.387 109.058 108.800 -0.214 0.000 2.182 58 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.248 58 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.248 58 G C 0.481 175.266 174.900 -0.193 0.000 1.042 58 G CA 0.540 45.506 45.100 -0.225 0.000 0.775 58 G HN 0.308 nan 8.290 nan 0.000 0.501 59 N N -0.288 118.288 118.700 -0.207 0.000 2.305 59 N HA 0.023 4.763 4.740 -0.000 0.000 0.179 59 N C 2.342 177.784 175.510 -0.114 0.000 1.019 59 N CA 1.754 54.718 53.050 -0.144 0.000 0.869 59 N CB -0.311 38.088 38.487 -0.147 0.000 1.000 59 N HN 0.394 nan 8.380 nan 0.000 0.431 60 T N -0.289 114.170 114.554 -0.160 0.000 2.978 60 T HA -0.001 4.349 4.350 -0.000 0.000 0.262 60 T C -0.014 174.715 174.700 0.048 0.000 1.063 60 T CA 0.903 62.974 62.100 -0.049 0.000 1.140 60 T CB -0.167 68.683 68.868 -0.030 0.000 0.886 60 T HN 0.571 nan 8.240 nan 0.000 0.470 61 H N -0.960 118.106 119.070 -0.006 0.000 3.079 61 H HA 0.586 5.142 4.556 0.000 0.000 0.356 61 H C -1.066 174.281 175.328 0.033 0.000 1.221 61 H CA -1.100 54.962 56.048 0.024 0.000 1.185 61 H CB 0.578 30.366 29.762 0.042 0.000 1.882 61 H HN -0.043 nan 8.280 nan 0.000 0.543 62 E N 1.313 121.585 120.200 0.120 0.000 2.765 62 E HA -0.084 4.266 4.350 -0.000 0.000 0.256 62 E C -0.646 176.036 176.600 0.137 0.000 0.935 62 E CA 0.840 57.282 56.400 0.069 0.000 0.954 62 E CB 0.344 30.109 29.700 0.107 0.000 0.908 62 E HN 0.542 nan 8.360 nan 0.000 0.500 63 D N 2.422 122.761 120.400 -0.101 0.000 2.687 63 D HA 0.421 5.061 4.640 -0.000 0.000 0.264 63 D C -1.342 174.632 176.300 -0.544 0.000 1.091 63 D CA -0.593 53.324 54.000 -0.139 0.000 1.123 63 D CB 1.254 41.964 40.800 -0.150 0.000 1.407 63 D HN 0.401 nan 8.370 nan 0.000 0.591 64 N N 0.732 119.021 118.700 -0.685 0.000 2.493 64 N HA 0.020 4.760 4.740 -0.000 0.000 0.279 64 N C 0.741 175.973 175.510 -0.463 0.000 1.082 64 N CA -0.569 51.964 53.050 -0.862 0.000 0.963 64 N CB 0.703 38.082 38.487 -1.846 0.000 1.627 64 N HN 0.659 nan 8.380 nan 0.000 0.499 65 W N 3.861 125.025 121.300 -0.225 0.000 2.392 65 W HA -0.020 4.640 4.660 -0.000 0.000 0.279 65 W C 0.486 177.025 176.519 0.032 0.000 1.225 65 W CA 0.696 58.017 57.345 -0.039 0.000 1.233 65 W CB -0.304 29.138 29.460 -0.031 0.000 1.122 65 W HN 0.567 nan 8.180 nan 0.000 0.561 66 E N 0.294 120.000 120.200 -0.822 0.000 2.106 66 E HA -0.177 4.173 4.350 -0.000 0.000 0.192 66 E C 1.964 178.549 176.600 -0.025 0.000 0.984 66 E CA 1.665 57.772 56.400 -0.489 0.000 0.806 66 E CB -0.660 28.747 29.700 -0.487 0.000 0.750 66 E HN 0.163 nan 8.360 nan 0.000 0.458 67 W N 0.948 121.990 121.300 -0.430 0.000 2.321 67 W HA -0.194 4.466 4.660 0.000 0.000 0.306 67 W C 2.160 178.659 176.519 -0.032 0.000 1.217 67 W CA 1.168 58.257 57.345 -0.426 0.000 1.257 67 W CB -1.425 27.814 29.460 -0.368 0.000 1.145 67 W HN 0.358 nan 8.180 nan 0.000 0.509 68 H N -0.756 118.427 119.070 0.187 0.000 2.357 68 H HA -0.147 4.409 4.556 -0.000 0.000 0.301 68 H C 2.333 177.757 175.328 0.160 0.000 1.082 68 H CA 1.576 57.725 56.048 0.169 0.000 1.342 68 H CB -0.180 29.679 29.762 0.161 0.000 1.389 68 H HN 0.025 nan 8.280 nan 0.000 0.511 69 M N 0.180 119.856 119.600 0.127 0.000 2.108 69 M HA -0.244 4.236 4.480 -0.000 0.000 0.261 69 M C 2.154 178.415 176.300 -0.066 0.000 1.066 69 M CA 1.743 57.099 55.300 0.092 0.000 1.107 69 M CB -0.350 32.477 32.600 0.377 0.000 1.356 69 M HN 0.361 nan 8.290 nan 0.000 0.406 70 Y N 1.685 121.836 120.300 -0.248 0.000 2.030 70 Y HA -0.353 4.197 4.550 -0.000 0.000 0.274 70 Y C 1.877 177.587 175.900 -0.316 0.000 1.153 70 Y CA 2.478 60.225 58.100 -0.589 0.000 1.115 70 Y CB -0.724 37.565 38.460 -0.285 0.000 0.969 70 Y HN 0.352 nan 8.280 nan 0.000 0.488 71 D N -0.657 119.719 120.400 -0.039 0.000 2.172 71 D HA -0.204 4.436 4.640 -0.000 0.000 0.196 71 D C 2.096 178.327 176.300 -0.116 0.000 0.999 71 D CA 2.126 56.103 54.000 -0.038 0.000 0.856 71 D CB -0.671 40.237 40.800 0.179 0.000 0.934 71 D HN 0.447 nan 8.370 nan 0.000 0.453 72 T N 0.533 115.035 114.554 -0.086 0.000 2.701 72 T HA -0.073 4.277 4.350 -0.000 0.000 0.263 72 T C 2.335 176.926 174.700 -0.181 0.000 1.040 72 T CA 0.885 62.944 62.100 -0.068 0.000 1.147 72 T CB -0.391 68.442 68.868 -0.058 0.000 0.865 72 T HN -0.025 nan 8.240 nan 0.000 0.426 73 V N 1.849 121.583 119.914 -0.299 0.000 2.255 73 V HA -0.218 3.902 4.120 -0.000 0.000 0.247 73 V C 2.532 178.226 176.094 -0.667 0.000 1.051 73 V CA 1.807 63.879 62.300 -0.380 0.000 1.018 73 V CB -0.580 31.034 31.823 -0.349 0.000 0.641 73 V HN 0.438 nan 8.190 nan 0.000 0.445 74 K N 0.226 120.132 120.400 -0.824 0.000 2.057 74 K HA -0.155 4.165 4.320 -0.000 0.000 0.207 74 K C 2.193 178.548 176.600 -0.408 0.000 1.049 74 K CA 1.673 57.443 56.287 -0.862 0.000 0.931 74 K CB -0.650 31.383 32.500 -0.777 0.000 0.714 74 K HN 0.502 nan 8.250 nan 0.000 0.440 75 G N 0.462 109.141 108.800 -0.201 0.000 2.450 75 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.220 75 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.220 75 G C 1.418 176.317 174.900 -0.001 0.000 1.130 75 G CA 1.197 46.306 45.100 0.016 0.000 0.760 75 G HN 0.508 nan 8.290 nan 0.000 0.557 76 S N -0.240 115.417 115.700 -0.073 0.000 2.607 76 S HA 0.019 4.489 4.470 -0.000 0.000 0.224 76 S C 1.078 175.683 174.600 0.009 0.000 0.969 76 S CA 1.050 59.247 58.200 -0.005 0.000 0.927 76 S CB -0.091 63.105 63.200 -0.007 0.000 0.772 76 S HN 0.298 nan 8.310 nan 0.000 0.533 77 D N 0.158 120.533 120.400 -0.042 0.000 2.870 77 D HA -0.251 4.389 4.640 -0.000 0.000 0.228 77 D C -0.414 176.020 176.300 0.223 0.000 1.147 77 D CA 1.028 55.088 54.000 0.099 0.000 0.757 77 D CB -2.080 38.815 40.800 0.158 0.000 1.091 77 D HN 0.673 nan 8.370 nan 0.000 0.429 78 Y N -3.573 116.746 120.300 0.031 0.000 4.841 78 Y HA -0.351 4.199 4.550 -0.000 0.000 0.242 78 Y C 1.630 177.545 175.900 0.026 0.000 1.002 78 Y CA 1.216 59.336 58.100 0.032 0.000 2.011 78 Y CB -2.325 36.156 38.460 0.035 0.000 1.554 78 Y HN 0.489 nan 8.280 nan 0.000 0.618 79 I N -2.170 118.468 120.570 0.113 0.000 3.976 79 I HA 0.513 4.683 4.170 -0.000 0.000 0.337 79 I C 1.285 177.442 176.117 0.067 0.000 1.359 79 I CA 0.135 61.449 61.300 0.023 0.000 1.098 79 I CB 0.206 38.197 38.000 -0.014 0.000 1.027 79 I HN 0.130 nan 8.210 nan 0.000 0.394 80 G N 1.658 110.509 108.800 0.085 0.000 2.378 80 G HA2 0.115 4.075 3.960 -0.000 0.000 0.255 80 G HA3 0.115 4.075 3.960 -0.000 0.000 0.255 80 G C -0.565 174.405 174.900 0.116 0.000 1.270 80 G CA -0.291 44.869 45.100 0.099 0.000 0.876 80 G HN 0.242 nan 8.290 nan 0.000 0.521 81 D N 2.059 122.548 120.400 0.150 0.000 2.401 81 D HA 0.031 4.671 4.640 -0.000 0.000 0.254 81 D C 1.295 177.665 176.300 0.117 0.000 1.192 81 D CA 0.337 54.421 54.000 0.141 0.000 0.885 81 D CB 1.656 42.534 40.800 0.130 0.000 1.147 81 D HN 0.507 nan 8.370 nan 0.000 0.478 82 Q N 1.189 121.071 119.800 0.136 0.000 2.311 82 Q HA -0.101 4.239 4.340 -0.000 0.000 0.203 82 Q C 1.355 177.462 176.000 0.180 0.000 0.954 82 Q CA 0.594 56.500 55.803 0.172 0.000 0.885 82 Q CB 0.340 29.204 28.738 0.210 0.000 0.963 82 Q HN 0.518 nan 8.270 nan 0.000 0.471 83 D N 0.658 121.146 120.400 0.145 0.000 2.123 83 D HA -0.140 4.500 4.640 -0.000 0.000 0.200 83 D C 1.716 178.118 176.300 0.170 0.000 0.976 83 D CA 1.363 55.449 54.000 0.143 0.000 0.831 83 D CB -0.306 40.554 40.800 0.100 0.000 0.974 83 D HN 0.128 nan 8.370 nan 0.000 0.469 84 A N 1.112 124.021 122.820 0.149 0.000 1.877 84 A HA -0.046 4.274 4.320 -0.000 0.000 0.216 84 A C 2.603 180.363 177.584 0.294 0.000 1.186 84 A CA 1.283 53.448 52.037 0.212 0.000 0.620 84 A CB -0.889 18.153 19.000 0.070 0.000 0.822 84 A HN 0.274 nan 8.150 nan 0.000 0.443 85 I N -0.431 120.252 120.570 0.188 0.000 2.264 85 I HA -0.281 3.889 4.170 -0.000 0.000 0.248 85 I C 2.575 178.797 176.117 0.175 0.000 1.111 85 I CA 1.841 63.233 61.300 0.154 0.000 1.382 85 I CB -0.336 37.722 38.000 0.097 0.000 1.060 85 I HN 0.587 nan 8.210 nan 0.000 0.418 86 E N 0.827 121.161 120.200 0.224 0.000 2.031 86 E HA -0.308 4.042 4.350 -0.000 0.000 0.193 86 E C 2.350 178.977 176.600 0.045 0.000 0.994 86 E CA 1.501 58.039 56.400 0.231 0.000 0.800 86 E CB -0.344 29.521 29.700 0.275 0.000 0.752 86 E HN 0.483 nan 8.360 nan 0.000 0.447 87 Y N 1.044 121.333 120.300 -0.019 0.000 2.139 87 Y HA -0.321 4.229 4.550 -0.000 0.000 0.282 87 Y C 2.446 178.240 175.900 -0.177 0.000 1.179 87 Y CA 2.526 60.568 58.100 -0.097 0.000 1.161 87 Y CB -0.228 38.231 38.460 -0.001 0.000 0.970 87 Y HN 0.146 nan 8.280 nan 0.000 0.511 88 M N -1.130 118.519 119.600 0.082 0.000 2.099 88 M HA -0.241 4.239 4.480 -0.000 0.000 0.262 88 M C 2.115 178.336 176.300 -0.130 0.000 1.067 88 M CA 2.319 57.576 55.300 -0.072 0.000 1.124 88 M CB -0.571 32.110 32.600 0.134 0.000 1.353 88 M HN 0.449 nan 8.290 nan 0.000 0.410 89 C N 0.332 119.581 119.300 -0.084 0.000 2.457 89 C HA -0.067 4.393 4.460 -0.000 0.000 0.278 89 C C 2.644 177.569 174.990 -0.109 0.000 1.309 89 C CA 1.119 60.123 59.018 -0.023 0.000 1.735 89 C CB -0.892 26.867 27.740 0.032 0.000 1.992 89 C HN 0.596 nan 8.230 nan 0.000 0.493 90 K N 1.241 121.352 120.400 -0.480 0.000 2.062 90 K HA -0.086 4.234 4.320 -0.000 0.000 0.205 90 K C 1.812 178.053 176.600 -0.598 0.000 1.051 90 K CA 2.023 57.739 56.287 -0.951 0.000 0.941 90 K CB -0.615 31.067 32.500 -1.363 0.000 0.719 90 K HN 0.379 nan 8.250 nan 0.000 0.440 91 T N -0.062 114.152 114.554 -0.567 0.000 2.857 91 T HA 0.024 4.374 4.350 -0.000 0.000 0.266 91 T C 1.704 176.214 174.700 -0.317 0.000 1.048 91 T CA 0.914 62.709 62.100 -0.507 0.000 1.139 91 T CB -0.802 67.625 68.868 -0.735 0.000 0.874 91 T HN 0.480 nan 8.240 nan 0.000 0.455 92 G N 2.995 111.650 108.800 -0.241 0.000 2.808 92 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.225 92 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.225 92 G C -0.678 174.151 174.900 -0.119 0.000 1.210 92 G CA 1.463 46.489 45.100 -0.123 0.000 0.777 92 G HN 0.391 nan 8.290 nan 0.000 0.640 93 P HA -0.093 nan 4.420 nan 0.000 0.214 93 P C 1.746 178.966 177.300 -0.133 0.000 1.163 93 P CA 1.711 64.740 63.100 -0.118 0.000 0.889 93 P CB -0.118 31.520 31.700 -0.103 0.000 0.790 94 E N -0.356 119.757 120.200 -0.144 0.000 2.110 94 E HA -0.189 4.161 4.350 -0.000 0.000 0.193 94 E C 1.849 178.369 176.600 -0.133 0.000 0.988 94 E CA 1.326 57.644 56.400 -0.137 0.000 0.804 94 E CB -0.453 29.164 29.700 -0.138 0.000 0.745 94 E HN 0.066 nan 8.360 nan 0.000 0.458 95 A N 0.830 123.569 122.820 -0.135 0.000 2.015 95 A HA -0.101 4.219 4.320 -0.000 0.000 0.219 95 A C 1.977 179.515 177.584 -0.078 0.000 1.163 95 A CA 0.774 52.746 52.037 -0.109 0.000 0.646 95 A CB -0.195 18.732 19.000 -0.121 0.000 0.806 95 A HN 0.252 nan 8.150 nan 0.000 0.448 96 I N -0.325 120.197 120.570 -0.079 0.000 2.400 96 I HA -0.066 4.104 4.170 -0.000 0.000 0.248 96 I C 2.345 178.430 176.117 -0.054 0.000 1.109 96 I CA 0.641 61.920 61.300 -0.035 0.000 1.425 96 I CB -1.384 36.584 38.000 -0.052 0.000 1.094 96 I HN 0.257 nan 8.210 nan 0.000 0.425 97 L N 0.516 121.652 121.223 -0.146 0.000 2.081 97 L HA -0.268 4.072 4.340 -0.000 0.000 0.212 97 L C 2.486 179.136 176.870 -0.367 0.000 1.080 97 L CA 1.472 56.160 54.840 -0.254 0.000 0.754 97 L CB -0.506 41.386 42.059 -0.278 0.000 0.893 97 L HN 0.314 nan 8.230 nan 0.000 0.433 98 E N 0.283 120.346 120.200 -0.227 0.000 2.097 98 E HA -0.244 4.106 4.350 -0.000 0.000 0.196 98 E C 2.307 178.874 176.600 -0.056 0.000 1.000 98 E CA 1.213 57.529 56.400 -0.141 0.000 0.804 98 E CB -0.050 29.608 29.700 -0.069 0.000 0.740 98 E HN 0.454 nan 8.360 nan 0.000 0.454 99 L N 0.694 121.912 121.223 -0.010 0.000 2.093 99 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 99 L C 2.706 179.620 176.870 0.073 0.000 1.085 99 L CA 0.926 55.788 54.840 0.037 0.000 0.755 99 L CB -0.470 41.632 42.059 0.071 0.000 0.904 99 L HN 0.187 nan 8.230 nan 0.000 0.435 100 E N 0.340 120.623 120.200 0.137 0.000 2.110 100 E HA -0.226 4.124 4.350 -0.000 0.000 0.193 100 E C 1.943 178.648 176.600 0.175 0.000 0.988 100 E CA 1.432 57.955 56.400 0.206 0.000 0.804 100 E CB -0.057 29.774 29.700 0.218 0.000 0.745 100 E HN 0.652 nan 8.360 nan 0.000 0.458 101 H N -1.048 118.058 119.070 0.059 0.000 2.495 101 H HA 0.047 4.603 4.556 0.000 0.000 0.287 101 H C 1.893 177.226 175.328 0.009 0.000 1.033 101 H CA 0.551 56.614 56.048 0.025 0.000 1.307 101 H CB 0.148 29.916 29.762 0.010 0.000 1.401 101 H HN 0.137 nan 8.280 nan 0.000 0.555 102 M N -0.668 119.002 119.600 0.117 0.000 2.595 102 M HA 0.077 4.557 4.480 -0.000 0.000 0.248 102 M C 1.353 177.668 176.300 0.024 0.000 1.119 102 M CA 0.872 56.200 55.300 0.046 0.000 1.079 102 M CB 0.923 33.532 32.600 0.014 0.000 1.472 102 M HN 0.517 nan 8.290 nan 0.000 0.501 103 G N 0.964 109.787 108.800 0.040 0.000 2.192 103 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.193 103 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.193 103 G C 0.002 174.888 174.900 -0.023 0.000 0.999 103 G CA -0.611 44.501 45.100 0.019 0.000 0.659 103 G HN 0.371 nan 8.290 nan 0.000 0.503 104 L N 2.857 124.034 121.223 -0.076 0.000 2.667 104 L HA 0.210 4.550 4.340 -0.000 0.000 0.278 104 L C -1.037 175.685 176.870 -0.247 0.000 1.217 104 L CA -0.487 54.210 54.840 -0.238 0.000 0.935 104 L CB 0.631 42.422 42.059 -0.446 0.000 1.193 104 L HN 0.024 nan 8.230 nan 0.000 0.493 105 P HA 0.049 nan 4.420 nan 0.000 0.218 105 P C -0.437 176.836 177.300 -0.047 0.000 1.793 105 P CA -0.263 62.792 63.100 -0.075 0.000 0.941 105 P CB -0.378 31.298 31.700 -0.039 0.000 1.919 106 F N 0.574 120.545 119.950 0.035 0.000 2.628 106 F HA -0.042 4.485 4.527 -0.000 0.000 0.362 106 F C 1.705 177.532 175.800 0.045 0.000 1.148 106 F CA 0.848 58.874 58.000 0.043 0.000 1.352 106 F CB -0.090 38.932 39.000 0.037 0.000 1.081 106 F HN 0.058 nan 8.300 nan 0.000 0.605 107 S N 3.145 119.015 115.700 0.283 0.000 2.596 107 S HA 0.470 4.940 4.470 -0.000 0.000 0.260 107 S C 0.017 174.716 174.600 0.166 0.000 1.336 107 S CA -0.735 57.552 58.200 0.144 0.000 0.993 107 S CB 0.586 63.812 63.200 0.042 0.000 0.923 107 S HN 0.336 nan 8.310 nan 0.000 0.567 108 R N 0.491 121.040 120.500 0.082 0.000 2.686 108 R HA 0.445 4.785 4.340 -0.000 0.000 0.283 108 R C -0.777 175.579 176.300 0.093 0.000 0.978 108 R CA -0.609 55.548 56.100 0.095 0.000 0.897 108 R CB 0.911 31.250 30.300 0.064 0.000 1.192 108 R HN 0.513 nan 8.270 nan 0.000 0.457 109 L N 1.631 122.926 121.223 0.119 0.000 2.472 109 L HA 0.022 4.362 4.340 -0.000 0.000 0.260 109 L C 1.339 178.244 176.870 0.059 0.000 1.209 109 L CA -0.119 54.784 54.840 0.106 0.000 0.817 109 L CB 0.460 42.571 42.059 0.086 0.000 1.106 109 L HN 0.501 nan 8.230 nan 0.000 0.479 110 D N 0.493 120.923 120.400 0.050 0.000 2.182 110 D HA -0.182 4.458 4.640 -0.000 0.000 0.201 110 D C 1.339 177.656 176.300 0.027 0.000 0.986 110 D CA 1.577 55.597 54.000 0.033 0.000 0.847 110 D CB -0.128 40.691 40.800 0.030 0.000 0.942 110 D HN 0.672 nan 8.370 nan 0.000 0.467 111 D N -1.629 118.788 120.400 0.028 0.000 2.355 111 D HA 0.131 4.771 4.640 -0.000 0.000 0.218 111 D C 1.493 177.806 176.300 0.021 0.000 1.004 111 D CA 0.917 54.930 54.000 0.022 0.000 0.880 111 D CB 0.182 40.993 40.800 0.019 0.000 0.911 111 D HN 0.218 nan 8.370 nan 0.000 0.528 112 G N -0.474 108.342 108.800 0.027 0.000 2.284 112 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.201 112 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.201 112 G C 0.437 175.355 174.900 0.030 0.000 0.998 112 G CA -0.294 44.823 45.100 0.029 0.000 0.651 112 G HN 0.369 nan 8.290 nan 0.000 0.489 113 R N 0.010 120.522 120.500 0.019 0.000 2.652 113 R HA 0.614 4.954 4.340 -0.000 0.000 0.271 113 R C 0.743 177.044 176.300 0.001 0.000 1.129 113 R CA -0.529 55.571 56.100 -0.002 0.000 1.200 113 R CB 0.623 30.908 30.300 -0.025 0.000 1.146 113 R HN 0.262 nan 8.270 nan 0.000 0.581 114 I N 1.609 122.141 120.570 -0.064 0.000 2.648 114 I HA -0.106 4.064 4.170 -0.000 0.000 0.284 114 I C 0.123 176.210 176.117 -0.049 0.000 1.153 114 I CA 0.196 61.429 61.300 -0.111 0.000 1.426 114 I CB 0.050 37.814 38.000 -0.393 0.000 1.381 114 I HN 0.437 nan 8.210 nan 0.000 0.571 115 Y N 6.916 127.166 120.300 -0.084 0.000 2.377 115 Y HA 0.209 4.759 4.550 -0.000 0.000 0.330 115 Y C -0.287 175.568 175.900 -0.075 0.000 1.108 115 Y CA -0.180 57.892 58.100 -0.047 0.000 1.308 115 Y CB 0.461 38.927 38.460 0.009 0.000 1.216 115 Y HN 0.494 nan 8.280 nan 0.000 0.518 116 Q N 6.564 125.954 119.800 -0.683 0.000 2.340 116 Q HA 0.442 4.782 4.340 -0.000 0.000 0.268 116 Q C -1.067 174.451 176.000 -0.803 0.000 1.031 116 Q CA -1.141 54.286 55.803 -0.627 0.000 0.804 116 Q CB 2.270 30.791 28.738 -0.362 0.000 1.286 116 Q HN 0.763 nan 8.270 nan 0.000 0.448 117 R N 0.831 121.011 120.500 -0.533 0.000 2.787 117 R HA 0.693 5.033 4.340 -0.000 0.000 0.271 117 R C -2.791 173.506 176.300 -0.005 0.000 0.993 117 R CA -2.206 53.749 56.100 -0.242 0.000 0.993 117 R CB 0.495 30.805 30.300 0.017 0.000 1.155 117 R HN 0.201 nan 8.270 nan 0.000 0.486 118 P HA 0.129 nan 4.420 nan 0.000 0.269 118 P C -1.316 176.158 177.300 0.290 0.000 1.215 118 P CA 0.015 63.199 63.100 0.140 0.000 0.780 118 P CB 0.329 32.086 31.700 0.094 0.000 0.898 119 F N -0.550 119.400 119.950 0.000 0.000 2.713 119 F HA 0.482 5.009 4.527 0.000 0.000 0.311 119 F C 0.289 176.085 175.800 -0.007 0.000 1.141 119 F CA -0.501 57.497 58.000 -0.003 0.000 0.939 119 F CB 1.256 40.252 39.000 -0.007 0.000 1.325 119 F HN 0.333 nan 8.300 nan 0.000 0.453 120 G N 0.886 109.625 108.800 -0.101 0.000 2.305 120 G HA2 0.405 4.365 3.960 -0.000 0.000 0.243 120 G HA3 0.405 4.365 3.960 -0.000 0.000 0.243 120 G C 0.664 175.591 174.900 0.045 0.000 1.288 120 G CA 0.448 45.494 45.100 -0.089 0.000 0.901 120 G HN 1.745 nan 8.290 nan 0.000 0.516 121 G N 1.313 110.145 108.800 0.054 0.000 2.289 121 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.280 121 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.280 121 G C 0.012 175.021 174.900 0.182 0.000 1.089 121 G CA 0.250 45.450 45.100 0.167 0.000 0.939 121 G HN 0.897 nan 8.290 nan 0.000 0.499 122 Q N -0.111 119.783 119.800 0.157 0.000 2.290 122 Q HA 0.604 4.944 4.340 -0.000 0.000 0.269 122 Q C -0.316 175.745 176.000 0.100 0.000 1.016 122 Q CA -0.139 55.748 55.803 0.141 0.000 0.754 122 Q CB 2.205 31.024 28.738 0.136 0.000 1.247 122 Q HN 0.852 nan 8.270 nan 0.000 0.451 123 S N 1.797 117.548 115.700 0.084 0.000 2.548 123 S HA 0.536 5.006 4.470 -0.000 0.000 0.276 123 S C -0.857 173.642 174.600 -0.169 0.000 1.129 123 S CA -1.055 57.127 58.200 -0.029 0.000 0.931 123 S CB 1.745 64.936 63.200 -0.014 0.000 1.068 123 S HN 0.410 nan 8.310 nan 0.000 0.480 124 K N 1.889 122.077 120.400 -0.353 0.000 2.202 124 K HA 0.349 4.669 4.320 -0.000 0.000 0.264 124 K C -0.200 175.660 176.600 -1.233 0.000 1.010 124 K CA -0.498 55.258 56.287 -0.884 0.000 0.940 124 K CB -0.036 32.009 32.500 -0.759 0.000 0.983 124 K HN 0.820 nan 8.250 nan 0.000 0.475 125 N N 1.008 118.263 118.700 -2.407 0.000 2.740 125 N HA -0.209 4.531 4.740 -0.000 0.000 0.248 125 N C -1.226 173.917 175.510 -0.612 0.000 1.062 125 N CA 0.668 52.912 53.050 -1.344 0.000 0.704 125 N CB -1.738 36.382 38.487 -0.613 0.000 0.968 125 N HN 0.635 nan 8.380 nan 0.000 0.547 126 F N -2.097 117.404 119.950 -0.748 0.000 2.905 126 F HA -0.150 4.377 4.527 -0.000 0.000 0.291 126 F C 1.464 176.631 175.800 -1.055 0.000 1.002 126 F CA 0.978 58.354 58.000 -1.040 0.000 0.978 126 F CB -1.756 36.797 39.000 -0.745 0.000 1.036 126 F HN 0.507 nan 8.300 nan 0.000 0.820 127 G N -1.294 107.241 108.800 -0.440 0.000 2.163 127 G HA2 0.114 4.074 3.960 -0.000 0.000 0.213 127 G HA3 0.114 4.074 3.960 -0.000 0.000 0.213 127 G C 0.744 175.570 174.900 -0.124 0.000 0.991 127 G CA -0.148 44.885 45.100 -0.112 0.000 0.653 127 G HN 1.314 nan 8.290 nan 0.000 0.518 128 G N -0.416 108.252 108.800 -0.221 0.000 2.928 128 G HA2 0.516 4.476 3.960 -0.000 0.000 0.163 128 G HA3 0.516 4.476 3.960 -0.000 0.000 0.163 128 G C 0.210 175.010 174.900 -0.166 0.000 1.573 128 G CA 0.331 45.312 45.100 -0.199 0.000 1.084 128 G HN 0.499 nan 8.290 nan 0.000 0.569 129 E N -0.224 119.862 120.200 -0.190 0.000 2.418 129 E HA 0.112 4.462 4.350 -0.000 0.000 0.261 129 E C 0.090 176.604 176.600 -0.144 0.000 1.070 129 E CA -0.217 56.093 56.400 -0.149 0.000 0.931 129 E CB 0.495 30.098 29.700 -0.161 0.000 0.954 129 E HN 0.305 nan 8.360 nan 0.000 0.439 130 Q N 1.665 121.408 119.800 -0.095 0.000 2.263 130 Q HA 0.147 4.487 4.340 -0.000 0.000 0.289 130 Q C -1.242 174.696 176.000 -0.103 0.000 1.061 130 Q CA 0.199 55.966 55.803 -0.061 0.000 0.927 130 Q CB 0.827 29.550 28.738 -0.025 0.000 1.154 130 Q HN 0.468 nan 8.270 nan 0.000 0.378 131 A N 3.482 126.276 122.820 -0.042 0.000 2.252 131 A HA 0.821 5.141 4.320 -0.000 0.000 0.305 131 A C -0.714 176.955 177.584 0.141 0.000 1.097 131 A CA -0.175 51.873 52.037 0.019 0.000 0.849 131 A CB 1.039 20.136 19.000 0.162 0.000 1.142 131 A HN 1.010 nan 8.150 nan 0.000 0.499 132 A N 0.757 123.797 122.820 0.366 0.000 2.815 132 A HA 0.561 4.881 4.320 -0.000 0.000 0.318 132 A C 0.187 177.796 177.584 0.042 0.000 1.186 132 A CA -0.468 51.672 52.037 0.171 0.000 0.754 132 A CB 0.081 19.155 19.000 0.122 0.000 1.151 132 A HN 1.011 nan 8.150 nan 0.000 0.452 133 R N 0.211 120.693 120.500 -0.031 0.000 2.600 133 R HA 0.234 4.574 4.340 -0.000 0.000 0.392 133 R C -0.762 175.402 176.300 -0.227 0.000 1.032 133 R CA -0.080 55.924 56.100 -0.160 0.000 1.139 133 R CB 0.209 30.418 30.300 -0.152 0.000 1.400 133 R HN 0.277 nan 8.270 nan 0.000 0.566 134 T N 1.712 116.126 114.554 -0.232 0.000 2.727 134 T HA 0.499 4.849 4.350 -0.000 0.000 0.298 134 T C -0.036 174.494 174.700 -0.284 0.000 0.942 134 T CA -0.253 61.651 62.100 -0.327 0.000 0.997 134 T CB 1.240 69.761 68.868 -0.577 0.000 0.917 134 T HN 0.401 nan 8.240 nan 0.000 0.487 135 A N 3.200 125.877 122.820 -0.240 0.000 2.354 135 A HA 0.815 5.135 4.320 -0.000 0.000 0.269 135 A C 0.255 177.859 177.584 0.033 0.000 1.109 135 A CA -0.540 51.379 52.037 -0.197 0.000 0.800 135 A CB 0.268 19.048 19.000 -0.367 0.000 1.045 135 A HN 1.048 nan 8.150 nan 0.000 0.489 136 A N 0.722 123.669 122.820 0.211 0.000 2.606 136 A HA 0.773 5.093 4.320 -0.000 0.000 0.293 136 A C -0.434 177.393 177.584 0.405 0.000 1.082 136 A CA 0.046 52.277 52.037 0.322 0.000 0.685 136 A CB 1.099 20.241 19.000 0.237 0.000 1.284 136 A HN 2.297 nan 8.150 nan 0.000 0.408 137 A N 1.227 124.195 122.820 0.246 0.000 2.316 137 A HA 0.782 5.102 4.320 -0.000 0.000 0.324 137 A C 0.944 178.584 177.584 0.093 0.000 1.375 137 A CA 0.783 52.905 52.037 0.142 0.000 0.882 137 A CB -0.746 18.275 19.000 0.035 0.000 1.152 137 A HN 2.845 nan 8.150 nan 0.000 0.512 138 A N 2.509 125.373 122.820 0.074 0.000 5.395 138 A HA -0.267 4.053 4.320 -0.000 0.000 0.324 138 A C 0.770 178.406 177.584 0.086 0.000 1.813 138 A CA 1.839 53.901 52.037 0.042 0.000 0.714 138 A CB -1.325 17.676 19.000 0.002 0.000 1.374 138 A HN 1.614 nan 8.150 nan 0.000 0.390 139 D N -0.445 119.990 120.400 0.059 0.000 2.891 139 D HA 0.386 5.026 4.640 -0.000 0.000 0.312 139 D C 0.390 176.720 176.300 0.050 0.000 1.354 139 D CA -0.089 53.956 54.000 0.075 0.000 0.838 139 D CB -0.204 40.639 40.800 0.072 0.000 1.117 139 D HN 0.598 nan 8.370 nan 0.000 0.473 140 R N -0.397 120.130 120.500 0.045 0.000 2.659 140 R HA 0.194 4.534 4.340 -0.000 0.000 0.418 140 R C 0.699 177.050 176.300 0.085 0.000 1.076 140 R CA -0.210 55.914 56.100 0.040 0.000 1.093 140 R CB 0.414 30.695 30.300 -0.032 0.000 1.400 140 R HN -0.019 nan 8.270 nan 0.000 0.583 141 T N 0.494 115.091 114.554 0.073 0.000 2.665 141 T HA -0.169 4.181 4.350 -0.000 0.000 0.268 141 T C 2.019 176.744 174.700 0.042 0.000 1.035 141 T CA 2.063 64.196 62.100 0.055 0.000 1.151 141 T CB -0.214 68.697 68.868 0.072 0.000 0.862 141 T HN 0.561 nan 8.240 nan 0.000 0.438 142 G N 0.578 109.409 108.800 0.051 0.000 2.476 142 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.218 142 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.218 142 G C 1.200 176.137 174.900 0.062 0.000 1.164 142 G CA 1.632 46.752 45.100 0.032 0.000 0.768 142 G HN 0.688 nan 8.290 nan 0.000 0.560 143 H N 1.094 120.176 119.070 0.021 0.000 2.265 143 H HA -0.028 4.528 4.556 -0.000 0.000 0.295 143 H C 2.760 178.149 175.328 0.102 0.000 1.084 143 H CA 2.633 58.734 56.048 0.088 0.000 1.261 143 H CB -0.386 29.409 29.762 0.054 0.000 1.360 143 H HN 0.304 nan 8.280 nan 0.000 0.487 144 A N 0.607 123.514 122.820 0.146 0.000 1.892 144 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 144 A C 2.486 180.027 177.584 -0.073 0.000 1.188 144 A CA 1.866 53.910 52.037 0.012 0.000 0.631 144 A CB -1.113 17.860 19.000 -0.045 0.000 0.822 144 A HN 0.540 nan 8.150 nan 0.000 0.447 145 L N -0.995 120.182 121.223 -0.077 0.000 1.994 145 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 145 L C 2.271 179.104 176.870 -0.061 0.000 1.071 145 L CA 2.198 56.988 54.840 -0.083 0.000 0.745 145 L CB -0.624 41.403 42.059 -0.052 0.000 0.892 145 L HN 0.323 nan 8.230 nan 0.000 0.431 146 L N -0.720 120.463 121.223 -0.066 0.000 2.017 146 L HA -0.227 4.113 4.340 -0.000 0.000 0.208 146 L C 2.647 179.438 176.870 -0.132 0.000 1.073 146 L CA 1.867 56.640 54.840 -0.113 0.000 0.745 146 L CB -1.013 40.948 42.059 -0.164 0.000 0.894 146 L HN 0.424 nan 8.230 nan 0.000 0.432 147 H N -1.315 117.661 119.070 -0.157 0.000 2.387 147 H HA -0.120 4.436 4.556 -0.000 0.000 0.299 147 H C 1.978 177.293 175.328 -0.021 0.000 1.090 147 H CA 1.893 57.880 56.048 -0.102 0.000 1.332 147 H CB -0.168 29.457 29.762 -0.229 0.000 1.386 147 H HN 0.397 nan 8.280 nan 0.000 0.516 148 T N 1.301 115.880 114.554 0.042 0.000 2.746 148 T HA -0.079 4.271 4.350 -0.000 0.000 0.267 148 T C 2.401 177.092 174.700 -0.015 0.000 1.039 148 T CA 0.671 62.771 62.100 0.000 0.000 1.142 148 T CB -0.253 68.587 68.868 -0.047 0.000 0.866 148 T HN 0.205 nan 8.240 nan 0.000 0.444 149 L N -0.407 120.803 121.223 -0.022 0.000 2.141 149 L HA -0.050 4.290 4.340 -0.000 0.000 0.209 149 L C 2.360 179.213 176.870 -0.028 0.000 1.094 149 L CA 1.162 55.982 54.840 -0.032 0.000 0.763 149 L CB -0.538 41.501 42.059 -0.034 0.000 0.908 149 L HN 0.248 nan 8.230 nan 0.000 0.437 150 Y N 1.303 121.521 120.300 -0.138 0.000 2.114 150 Y HA -0.297 4.253 4.550 0.000 0.000 0.284 150 Y C 2.703 178.545 175.900 -0.096 0.000 1.143 150 Y CA 1.662 59.668 58.100 -0.156 0.000 1.135 150 Y CB -0.399 37.924 38.460 -0.228 0.000 0.980 150 Y HN 0.168 nan 8.280 nan 0.000 0.499 151 Q N -0.504 119.228 119.800 -0.112 0.000 2.112 151 Q HA -0.265 4.075 4.340 -0.000 0.000 0.206 151 Q C 2.124 178.008 176.000 -0.193 0.000 0.987 151 Q CA 1.738 57.447 55.803 -0.156 0.000 0.858 151 Q CB -0.240 28.481 28.738 -0.028 0.000 0.905 151 Q HN 0.524 nan 8.270 nan 0.000 0.420 152 Q N 0.179 119.893 119.800 -0.143 0.000 2.167 152 Q HA -0.057 4.283 4.340 -0.000 0.000 0.202 152 Q C 1.577 177.471 176.000 -0.176 0.000 0.970 152 Q CA 0.816 56.539 55.803 -0.133 0.000 0.855 152 Q CB -0.176 28.511 28.738 -0.084 0.000 0.911 152 Q HN 0.455 nan 8.270 nan 0.000 0.438 153 N N 0.274 118.843 118.700 -0.220 0.000 2.354 153 N HA -0.010 4.730 4.740 -0.000 0.000 0.179 153 N C 1.919 177.248 175.510 -0.302 0.000 1.021 153 N CA 0.393 53.304 53.050 -0.231 0.000 0.887 153 N CB 0.177 38.542 38.487 -0.204 0.000 0.974 153 N HN 0.231 nan 8.380 nan 0.000 0.437 154 L N 1.335 122.307 121.223 -0.419 0.000 1.973 154 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 154 L C 2.572 179.208 176.870 -0.389 0.000 1.073 154 L CA 1.164 55.775 54.840 -0.382 0.000 0.746 154 L CB -0.553 41.270 42.059 -0.393 0.000 0.891 154 L HN 0.098 nan 8.230 nan 0.000 0.433 155 K N 0.415 120.618 120.400 -0.327 0.000 2.107 155 K HA -0.293 4.027 4.320 -0.000 0.000 0.211 155 K C 1.788 178.116 176.600 -0.452 0.000 1.049 155 K CA 2.106 58.191 56.287 -0.336 0.000 0.927 155 K CB -0.234 32.150 32.500 -0.195 0.000 0.714 155 K HN 0.308 nan 8.250 nan 0.000 0.452 156 N N -0.434 118.076 118.700 -0.317 0.000 2.398 156 N HA -0.110 4.630 4.740 -0.000 0.000 0.188 156 N C -0.644 174.802 175.510 -0.107 0.000 1.122 156 N CA 0.331 53.266 53.050 -0.192 0.000 0.866 156 N CB 0.170 38.590 38.487 -0.111 0.000 0.970 156 N HN 0.300 nan 8.380 nan 0.000 0.462 157 H N -0.444 118.581 119.070 -0.075 0.000 2.839 157 H HA -0.120 4.436 4.556 -0.000 0.000 0.298 157 H C -0.443 174.849 175.328 -0.059 0.000 1.224 157 H CA 0.928 56.938 56.048 -0.063 0.000 1.144 157 H CB -2.405 27.331 29.762 -0.042 0.000 1.372 157 H HN 0.166 nan 8.280 nan 0.000 0.408 158 T N 1.324 115.875 114.554 -0.004 0.000 2.940 158 T HA 0.119 4.469 4.350 -0.000 0.000 0.309 158 T C 0.974 175.661 174.700 -0.023 0.000 1.056 158 T CA 0.254 62.343 62.100 -0.019 0.000 1.137 158 T CB 0.771 69.601 68.868 -0.062 0.000 0.976 158 T HN 0.219 nan 8.240 nan 0.000 0.547 159 T N 4.521 119.064 114.554 -0.017 0.000 2.738 159 T HA 0.299 4.649 4.350 -0.000 0.000 0.293 159 T C 0.339 174.967 174.700 -0.120 0.000 0.913 159 T CA -0.063 61.998 62.100 -0.066 0.000 1.103 159 T CB -0.485 68.396 68.868 0.021 0.000 0.880 159 T HN 0.363 nan 8.240 nan 0.000 0.526 160 I N 3.736 124.210 120.570 -0.160 0.000 2.355 160 I HA 0.318 4.488 4.170 -0.000 0.000 0.288 160 I C -0.430 175.580 176.117 -0.179 0.000 0.999 160 I CA -0.745 60.495 61.300 -0.100 0.000 1.163 160 I CB 1.039 39.032 38.000 -0.012 0.000 1.316 160 I HN 0.538 nan 8.210 nan 0.000 0.454 161 F N 4.844 124.726 119.950 -0.113 0.000 2.499 161 F HA 0.178 4.705 4.527 -0.000 0.000 0.353 161 F C 1.225 177.100 175.800 0.125 0.000 1.196 161 F CA -0.062 57.867 58.000 -0.118 0.000 1.244 161 F CB 0.585 39.249 39.000 -0.560 0.000 1.577 161 F HN 0.396 nan 8.300 nan 0.000 0.614 162 S N 2.066 117.964 115.700 0.331 0.000 2.564 162 S HA 0.106 4.576 4.470 -0.000 0.000 0.278 162 S C 0.593 175.473 174.600 0.466 0.000 1.333 162 S CA -0.186 58.224 58.200 0.349 0.000 1.048 162 S CB 0.196 63.603 63.200 0.346 0.000 0.900 162 S HN 0.742 nan 8.310 nan 0.000 0.505 163 E N 1.490 121.898 120.200 0.347 0.000 2.297 163 E HA -0.199 4.151 4.350 -0.000 0.000 0.228 163 E C -1.565 175.152 176.600 0.195 0.000 1.213 163 E CA 0.633 57.184 56.400 0.251 0.000 0.712 163 E CB -1.136 28.698 29.700 0.222 0.000 1.202 163 E HN 0.574 nan 8.360 nan 0.000 0.376 164 W N 0.530 121.897 121.300 0.112 0.000 2.520 164 W HA 0.436 5.096 4.660 0.000 0.000 0.323 164 W C 0.022 176.579 176.519 0.062 0.000 1.062 164 W CA -0.560 56.844 57.345 0.098 0.000 1.215 164 W CB 0.648 30.159 29.460 0.085 0.000 1.340 164 W HN 0.163 nan 8.180 nan 0.000 0.516 165 Y N 3.204 123.567 120.300 0.104 0.000 2.353 165 Y HA 0.618 5.168 4.550 0.000 0.000 0.340 165 Y C 0.261 176.201 175.900 0.066 0.000 0.972 165 Y CA -1.078 57.045 58.100 0.037 0.000 1.157 165 Y CB 0.467 38.897 38.460 -0.051 0.000 1.157 165 Y HN 0.518 nan 8.280 nan 0.000 0.495 166 A N 7.184 129.768 122.820 -0.394 0.000 2.492 166 A HA 0.251 4.571 4.320 -0.000 0.000 0.254 166 A C 0.245 177.693 177.584 -0.226 0.000 1.091 166 A CA -0.175 51.721 52.037 -0.234 0.000 0.768 166 A CB 0.113 18.965 19.000 -0.247 0.000 1.028 166 A HN 1.096 nan 8.150 nan 0.000 0.498 167 L N 1.574 122.832 121.223 0.058 0.000 2.056 167 L HA 0.213 4.553 4.340 -0.000 0.000 0.202 167 L C 0.449 177.366 176.870 0.079 0.000 1.086 167 L CA 0.737 55.667 54.840 0.150 0.000 0.758 167 L CB -0.086 42.080 42.059 0.177 0.000 0.912 167 L HN 0.597 nan 8.230 nan 0.000 0.446 168 D N -1.558 118.882 120.400 0.067 0.000 2.609 168 D HA 0.392 5.032 4.640 -0.000 0.000 0.239 168 D C -1.022 175.305 176.300 0.046 0.000 1.229 168 D CA -0.522 53.507 54.000 0.048 0.000 0.808 168 D CB 2.532 43.364 40.800 0.055 0.000 1.448 168 D HN -0.134 nan 8.370 nan 0.000 0.433 169 L N 0.604 121.848 121.223 0.034 0.000 2.467 169 L HA 0.280 4.620 4.340 -0.000 0.000 0.270 169 L C 0.095 176.986 176.870 0.035 0.000 1.205 169 L CA -0.399 54.467 54.840 0.043 0.000 0.828 169 L CB 0.502 42.579 42.059 0.031 0.000 1.101 169 L HN 0.025 nan 8.230 nan 0.000 0.479 170 V N 2.302 122.245 119.914 0.048 0.000 2.417 170 V HA 0.325 4.445 4.120 -0.000 0.000 0.291 170 V C -0.089 176.013 176.094 0.013 0.000 1.024 170 V CA -0.810 61.486 62.300 -0.006 0.000 0.861 170 V CB 1.445 33.216 31.823 -0.087 0.000 0.985 170 V HN 0.648 nan 8.190 nan 0.000 0.436 171 K N 3.934 124.328 120.400 -0.010 0.000 2.182 171 K HA 0.461 4.781 4.320 -0.000 0.000 0.262 171 K C -0.200 176.397 176.600 -0.006 0.000 0.957 171 K CA -0.750 55.538 56.287 0.001 0.000 0.842 171 K CB 1.545 34.043 32.500 -0.004 0.000 1.099 171 K HN 0.815 nan 8.250 nan 0.000 0.438 172 N N 1.165 119.871 118.700 0.010 0.000 2.379 172 N HA -0.076 4.664 4.740 -0.000 0.000 0.260 172 N C 0.698 176.209 175.510 0.000 0.000 1.254 172 N CA -0.234 52.821 53.050 0.008 0.000 0.958 172 N CB 0.428 38.931 38.487 0.026 0.000 1.208 172 N HN 0.643 nan 8.380 nan 0.000 0.532 173 Q N -1.395 118.405 119.800 -0.001 0.000 2.364 173 Q HA -0.100 4.240 4.340 -0.000 0.000 0.209 173 Q C -0.206 175.792 176.000 -0.003 0.000 0.977 173 Q CA 1.423 57.224 55.803 -0.004 0.000 0.885 173 Q CB -0.223 28.513 28.738 -0.004 0.000 0.941 173 Q HN 0.526 nan 8.270 nan 0.000 0.464 174 D N 0.462 120.862 120.400 0.001 0.000 2.349 174 D HA 0.054 4.694 4.640 -0.000 0.000 0.224 174 D C 0.964 177.262 176.300 -0.005 0.000 1.029 174 D CA 1.029 55.028 54.000 -0.001 0.000 0.879 174 D CB 0.392 41.194 40.800 0.003 0.000 0.906 174 D HN 0.563 nan 8.370 nan 0.000 0.528 175 G N 0.605 109.402 108.800 -0.004 0.000 2.148 175 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.254 175 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.254 175 G C 0.487 175.383 174.900 -0.006 0.000 0.981 175 G CA 0.268 45.364 45.100 -0.008 0.000 0.670 175 G HN 0.608 nan 8.290 nan 0.000 0.528 176 A N -0.395 122.427 122.820 0.003 0.000 2.316 176 A HA 0.749 5.069 4.320 -0.000 0.000 0.284 176 A C 0.614 178.213 177.584 0.025 0.000 1.115 176 A CA -0.015 52.027 52.037 0.009 0.000 0.812 176 A CB 1.246 20.256 19.000 0.017 0.000 1.064 176 A HN 1.105 nan 8.150 nan 0.000 0.489 177 V N 2.367 122.299 119.914 0.031 0.000 2.555 177 V HA 0.254 4.374 4.120 -0.000 0.000 0.286 177 V C 0.777 176.926 176.094 0.093 0.000 1.044 177 V CA 0.597 62.930 62.300 0.056 0.000 1.026 177 V CB 1.193 33.047 31.823 0.051 0.000 0.981 177 V HN 1.012 nan 8.190 nan 0.000 0.480 178 V N 2.073 122.061 119.914 0.123 0.000 2.909 178 V HA 0.873 4.993 4.120 -0.000 0.000 0.362 178 V C 0.435 176.683 176.094 0.256 0.000 1.356 178 V CA 0.348 62.750 62.300 0.171 0.000 1.195 178 V CB -0.426 31.503 31.823 0.176 0.000 1.256 178 V HN 1.366 nan 8.190 nan 0.000 0.567 179 G N -0.198 108.735 108.800 0.221 0.000 2.352 179 G HA2 0.227 4.187 3.960 -0.000 0.000 0.324 179 G HA3 0.227 4.187 3.960 -0.000 0.000 0.324 179 G C -0.499 174.559 174.900 0.264 0.000 1.249 179 G CA 0.213 45.467 45.100 0.256 0.000 1.053 179 G HN 1.975 nan 8.290 nan 0.000 0.492 180 C N -1.669 117.822 119.300 0.320 0.000 3.170 180 C HA 0.950 5.410 4.460 -0.000 0.000 0.319 180 C C 0.404 175.602 174.990 0.347 0.000 1.260 180 C CA 0.325 59.484 59.018 0.235 0.000 1.374 180 C CB 1.112 28.913 27.740 0.102 0.000 1.739 180 C HN 2.172 nan 8.230 nan 0.000 0.479 181 T N 0.365 115.065 114.554 0.242 0.000 2.909 181 T HA 0.769 5.119 4.350 -0.000 0.000 0.289 181 T C -0.093 174.770 174.700 0.271 0.000 1.005 181 T CA 0.279 62.544 62.100 0.275 0.000 1.084 181 T CB 1.341 70.310 68.868 0.168 0.000 0.975 181 T HN 2.353 nan 8.240 nan 0.000 0.509 182 A N 2.150 125.197 122.820 0.378 0.000 2.520 182 A HA 0.673 4.993 4.320 -0.000 0.000 0.298 182 A C -1.140 176.710 177.584 0.444 0.000 1.051 182 A CA -0.981 51.291 52.037 0.392 0.000 0.690 182 A CB 1.597 20.841 19.000 0.407 0.000 1.281 182 A HN 1.037 nan 8.150 nan 0.000 0.402 183 L N 2.534 123.944 121.223 0.311 0.000 2.264 183 L HA 0.588 4.928 4.340 -0.000 0.000 0.289 183 L C 0.032 176.833 176.870 -0.115 0.000 1.044 183 L CA -0.358 54.550 54.840 0.113 0.000 0.807 183 L CB 0.892 42.987 42.059 0.061 0.000 1.192 183 L HN 0.846 nan 8.230 nan 0.000 0.425 184 C N 6.330 125.268 119.300 -0.604 0.000 2.627 184 C HA 0.229 4.689 4.460 -0.000 0.000 0.404 184 C C 1.813 176.438 174.990 -0.609 0.000 1.340 184 C CA -0.386 57.875 59.018 -1.262 0.000 1.758 184 C CB -1.262 25.446 27.740 -1.719 0.000 2.501 184 C HN 0.991 nan 8.230 nan 0.000 0.588 185 I N 3.540 123.808 120.570 -0.503 0.000 2.202 185 I HA -0.111 4.059 4.170 -0.000 0.000 0.242 185 I C 2.536 178.430 176.117 -0.371 0.000 1.091 185 I CA 1.505 62.527 61.300 -0.463 0.000 1.368 185 I CB -0.456 37.191 38.000 -0.588 0.000 1.058 185 I HN 0.842 nan 8.210 nan 0.000 0.410 186 E N 0.733 120.842 120.200 -0.152 0.000 2.058 186 E HA -0.275 4.075 4.350 -0.000 0.000 0.194 186 E C 2.074 178.689 176.600 0.026 0.000 0.997 186 E CA 2.346 58.825 56.400 0.131 0.000 0.801 186 E CB 0.060 29.858 29.700 0.165 0.000 0.746 186 E HN 0.558 nan 8.360 nan 0.000 0.450 187 T N -4.420 110.086 114.554 -0.080 0.000 3.015 187 T HA 0.308 4.658 4.350 -0.000 0.000 0.250 187 T C 1.464 176.119 174.700 -0.076 0.000 1.057 187 T CA 0.840 62.911 62.100 -0.049 0.000 1.066 187 T CB 0.804 69.659 68.868 -0.022 0.000 0.959 187 T HN 0.372 nan 8.240 nan 0.000 0.488 188 G N 1.201 109.913 108.800 -0.147 0.000 2.195 188 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.246 188 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.246 188 G C -0.113 174.729 174.900 -0.097 0.000 0.984 188 G CA 0.208 45.234 45.100 -0.123 0.000 0.633 188 G HN 0.830 nan 8.290 nan 0.000 0.525 189 E N 0.227 120.368 120.200 -0.099 0.000 2.437 189 E HA 0.373 4.723 4.350 -0.000 0.000 0.263 189 E C -0.232 176.368 176.600 -0.001 0.000 1.030 189 E CA 0.071 56.458 56.400 -0.022 0.000 0.934 189 E CB 0.680 30.399 29.700 0.033 0.000 0.943 189 E HN 0.173 nan 8.360 nan 0.000 0.444 190 V N 4.759 124.724 119.914 0.085 0.000 2.540 190 V HA 0.388 4.508 4.120 -0.000 0.000 0.302 190 V C -0.405 175.809 176.094 0.201 0.000 1.035 190 V CA -0.621 61.769 62.300 0.151 0.000 0.873 190 V CB 1.860 33.747 31.823 0.107 0.000 0.992 190 V HN 0.469 nan 8.190 nan 0.000 0.428 191 V N 4.067 124.156 119.914 0.290 0.000 2.962 191 V HA 0.444 4.564 4.120 -0.000 0.000 0.313 191 V C -1.396 174.807 176.094 0.181 0.000 1.099 191 V CA -0.926 61.475 62.300 0.169 0.000 0.971 191 V CB 2.415 34.259 31.823 0.036 0.000 1.028 191 V HN 0.737 nan 8.190 nan 0.000 0.430 192 Y N 3.277 123.534 120.300 -0.071 0.000 2.367 192 Y HA 0.598 5.148 4.550 0.000 0.000 0.342 192 Y C -0.909 174.894 175.900 -0.162 0.000 0.979 192 Y CA -1.968 56.115 58.100 -0.028 0.000 1.161 192 Y CB 0.763 39.217 38.460 -0.011 0.000 1.155 192 Y HN 0.461 nan 8.280 nan 0.000 0.503 193 F N 6.451 126.372 119.950 -0.048 0.000 2.390 193 F HA 0.318 4.845 4.527 -0.000 0.000 0.361 193 F C 0.440 175.982 175.800 -0.431 0.000 1.124 193 F CA -0.410 57.445 58.000 -0.242 0.000 1.149 193 F CB 0.753 39.634 39.000 -0.197 0.000 1.160 193 F HN 0.368 nan 8.300 nan 0.000 0.501 194 K N 3.531 123.596 120.400 -0.558 0.000 2.227 194 K HA 0.796 5.116 4.320 -0.000 0.000 0.280 194 K C -1.038 175.510 176.600 -0.086 0.000 1.041 194 K CA -0.335 55.628 56.287 -0.540 0.000 0.905 194 K CB 0.859 32.951 32.500 -0.680 0.000 1.068 194 K HN 0.723 nan 8.250 nan 0.000 0.470 195 A N 3.991 126.824 122.820 0.022 0.000 2.556 195 A HA 0.417 4.737 4.320 -0.000 0.000 0.294 195 A C -0.270 177.362 177.584 0.079 0.000 1.091 195 A CA -0.857 51.223 52.037 0.071 0.000 0.704 195 A CB 1.587 20.636 19.000 0.081 0.000 1.300 195 A HN 0.912 nan 8.150 nan 0.000 0.406 196 R N 0.009 120.552 120.500 0.070 0.000 2.276 196 R HA 0.413 4.753 4.340 -0.000 0.000 0.196 196 R C 0.375 176.749 176.300 0.123 0.000 0.961 196 R CA 1.205 57.356 56.100 0.084 0.000 1.024 196 R CB 0.526 30.863 30.300 0.062 0.000 0.940 196 R HN 0.787 nan 8.270 nan 0.000 0.480 197 A N 0.255 123.127 122.820 0.087 0.000 2.402 197 A HA 0.479 4.799 4.320 -0.000 0.000 0.291 197 A C -0.939 176.679 177.584 0.057 0.000 1.051 197 A CA -0.592 51.496 52.037 0.086 0.000 0.716 197 A CB 1.476 20.343 19.000 -0.222 0.000 1.223 197 A HN 0.004 nan 8.150 nan 0.000 0.425 198 T N 2.369 117.026 114.554 0.171 0.000 2.788 198 T HA 0.461 4.811 4.350 -0.000 0.000 0.296 198 T C -0.445 174.335 174.700 0.132 0.000 1.009 198 T CA -0.240 61.920 62.100 0.101 0.000 0.949 198 T CB 0.852 69.783 68.868 0.105 0.000 0.946 198 T HN 0.446 nan 8.240 nan 0.000 0.453 199 V N 5.659 125.587 119.914 0.024 0.000 2.318 199 V HA 0.323 4.443 4.120 -0.000 0.000 0.271 199 V C 0.249 176.347 176.094 0.007 0.000 1.030 199 V CA -0.769 61.555 62.300 0.040 0.000 0.844 199 V CB 0.752 32.543 31.823 -0.054 0.000 1.015 199 V HN 0.779 nan 8.190 nan 0.000 0.460 200 L N 4.535 125.777 121.223 0.032 0.000 2.360 200 L HA 0.585 4.925 4.340 -0.000 0.000 0.276 200 L C 0.632 177.495 176.870 -0.011 0.000 1.121 200 L CA 0.130 54.965 54.840 -0.008 0.000 0.845 200 L CB 1.098 43.153 42.059 -0.007 0.000 1.143 200 L HN 0.774 nan 8.230 nan 0.000 0.452 201 A N 1.265 124.066 122.820 -0.033 0.000 3.448 201 A HA 0.271 4.591 4.320 -0.000 0.000 0.232 201 A C 0.496 178.058 177.584 -0.036 0.000 1.018 201 A CA -0.151 51.871 52.037 -0.024 0.000 0.996 201 A CB -0.003 18.983 19.000 -0.022 0.000 1.283 201 A HN 0.720 nan 8.150 nan 0.000 0.586 202 T N -2.942 111.586 114.554 -0.044 0.000 3.069 202 T HA 0.490 4.840 4.350 -0.000 0.000 0.252 202 T C 1.249 175.926 174.700 -0.038 0.000 1.053 202 T CA 1.015 63.084 62.100 -0.051 0.000 0.964 202 T CB 0.018 68.844 68.868 -0.070 0.000 1.005 202 T HN 2.191 nan 8.240 nan 0.000 0.532 203 G N 0.537 109.315 108.800 -0.036 0.000 2.598 203 G HA2 0.152 4.112 3.960 -0.000 0.000 0.244 203 G HA3 0.152 4.112 3.960 -0.000 0.000 0.244 203 G C 0.283 175.135 174.900 -0.081 0.000 1.302 203 G CA -0.424 44.653 45.100 -0.040 0.000 0.903 203 G HN 0.915 nan 8.290 nan 0.000 0.575 204 G N -1.959 106.783 108.800 -0.098 0.000 2.531 204 G HA2 0.702 4.662 3.960 -0.000 0.000 0.253 204 G HA3 0.702 4.662 3.960 -0.000 0.000 0.253 204 G C 0.680 175.571 174.900 -0.015 0.000 1.439 204 G CA 1.174 46.200 45.100 -0.124 0.000 1.056 204 G HN 2.229 nan 8.290 nan 0.000 0.555 205 A N -1.743 121.150 122.820 0.121 0.000 2.474 205 A HA 0.510 4.830 4.320 -0.000 0.000 0.249 205 A C 1.646 179.318 177.584 0.147 0.000 0.891 205 A CA 0.994 53.141 52.037 0.183 0.000 1.135 205 A CB -0.124 19.041 19.000 0.274 0.000 1.191 205 A HN 1.334 nan 8.150 nan 0.000 0.471 206 G N 0.449 109.312 108.800 0.104 0.000 2.549 206 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.222 206 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.222 206 G C 1.261 176.128 174.900 -0.056 0.000 1.100 206 G CA 0.698 45.789 45.100 -0.015 0.000 0.739 206 G HN 0.360 nan 8.290 nan 0.000 0.577 207 R N 0.464 120.927 120.500 -0.062 0.000 2.328 207 R HA 0.079 4.418 4.340 -0.000 0.000 0.200 207 R C 2.250 178.488 176.300 -0.103 0.000 0.983 207 R CA 0.247 56.313 56.100 -0.058 0.000 1.062 207 R CB -0.558 29.724 30.300 -0.029 0.000 0.956 207 R HN 0.774 nan 8.270 nan 0.000 0.479 208 I N -3.463 116.982 120.570 -0.209 0.000 3.291 208 I HA 0.015 4.185 4.170 -0.000 0.000 0.279 208 I C -0.005 175.785 176.117 -0.547 0.000 1.294 208 I CA 0.371 61.446 61.300 -0.376 0.000 1.428 208 I CB -0.148 37.552 38.000 -0.500 0.000 1.070 208 I HN -0.223 nan 8.210 nan 0.000 0.478 209 Y N 0.738 120.903 120.300 -0.225 0.000 2.519 209 Y HA 0.335 4.885 4.550 -0.000 0.000 0.324 209 Y C 1.465 177.318 175.900 -0.079 0.000 1.214 209 Y CA -0.506 57.505 58.100 -0.148 0.000 1.260 209 Y CB 0.924 39.285 38.460 -0.165 0.000 1.311 209 Y HN -0.155 nan 8.280 nan 0.000 0.505 210 Q N 0.110 120.001 119.800 0.153 0.000 2.269 210 Q HA 0.041 4.381 4.340 -0.000 0.000 0.201 210 Q C -0.201 175.851 176.000 0.086 0.000 0.946 210 Q CA 0.575 56.428 55.803 0.083 0.000 0.877 210 Q CB 0.421 29.202 28.738 0.073 0.000 0.963 210 Q HN 0.462 nan 8.270 nan 0.000 0.472 211 S N -0.443 115.324 115.700 0.112 0.000 2.672 211 S HA 0.493 4.963 4.470 -0.000 0.000 0.291 211 S C -1.142 173.483 174.600 0.042 0.000 1.145 211 S CA -0.530 57.712 58.200 0.070 0.000 1.013 211 S CB 1.818 65.071 63.200 0.088 0.000 1.017 211 S HN 0.152 nan 8.310 nan 0.000 0.487 212 T N 1.334 115.884 114.554 -0.007 0.000 2.868 212 T HA 0.491 4.841 4.350 -0.000 0.000 0.306 212 T C 1.053 175.728 174.700 -0.043 0.000 1.224 212 T CA 0.089 62.165 62.100 -0.041 0.000 1.012 212 T CB 1.450 70.284 68.868 -0.058 0.000 1.221 212 T HN 0.731 nan 8.240 nan 0.000 0.499 213 T N 0.375 114.931 114.554 0.003 0.000 3.148 213 T HA 0.221 4.571 4.350 -0.000 0.000 0.253 213 T C 0.601 175.311 174.700 0.016 0.000 1.134 213 T CA 0.064 62.192 62.100 0.046 0.000 1.051 213 T CB -0.622 68.376 68.868 0.217 0.000 0.959 213 T HN 0.561 nan 8.240 nan 0.000 0.525 214 N N 1.384 120.008 118.700 -0.126 0.000 2.530 214 N HA 0.515 5.255 4.740 -0.000 0.000 0.277 214 N C 0.077 175.397 175.510 -0.315 0.000 1.168 214 N CA -0.635 52.178 53.050 -0.395 0.000 0.979 214 N CB 0.833 39.096 38.487 -0.374 0.000 1.141 214 N HN 0.383 nan 8.380 nan 0.000 0.459 215 A N 1.143 123.743 122.820 -0.366 0.000 2.507 215 A HA -0.060 4.260 4.320 -0.000 0.000 0.235 215 A C 1.037 178.541 177.584 -0.134 0.000 1.070 215 A CA -0.035 51.931 52.037 -0.118 0.000 0.768 215 A CB 0.058 19.106 19.000 0.080 0.000 1.011 215 A HN 0.799 nan 8.150 nan 0.000 0.502 216 H N 1.227 120.289 119.070 -0.014 0.000 2.492 216 H HA -0.183 4.372 4.556 -0.000 0.000 0.296 216 H C 1.662 176.981 175.328 -0.015 0.000 1.095 216 H CA 2.287 58.327 56.048 -0.014 0.000 1.281 216 H CB -0.166 29.599 29.762 0.005 0.000 1.374 216 H HN 0.755 nan 8.280 nan 0.000 0.545 217 I N -1.603 119.028 120.570 0.102 0.000 3.684 217 I HA 0.060 4.230 4.170 -0.000 0.000 0.304 217 I C -0.213 175.921 176.117 0.029 0.000 1.278 217 I CA 0.045 61.389 61.300 0.073 0.000 1.272 217 I CB -0.047 38.003 38.000 0.084 0.000 1.029 217 I HN -0.188 nan 8.210 nan 0.000 0.458 218 N N 2.690 121.375 118.700 -0.025 0.000 2.739 218 N HA 0.113 4.853 4.740 -0.000 0.000 0.266 218 N C 0.527 176.027 175.510 -0.017 0.000 1.168 218 N CA 0.327 53.346 53.050 -0.053 0.000 1.055 218 N CB 0.428 38.824 38.487 -0.152 0.000 1.393 218 N HN 0.389 nan 8.380 nan 0.000 0.514 219 T N -2.833 111.728 114.554 0.011 0.000 3.228 219 T HA 0.276 4.626 4.350 -0.000 0.000 0.278 219 T C 1.063 175.780 174.700 0.027 0.000 1.014 219 T CA -0.351 61.762 62.100 0.021 0.000 0.904 219 T CB -0.137 68.753 68.868 0.037 0.000 1.110 219 T HN 0.387 nan 8.240 nan 0.000 0.541 220 G N 2.227 111.041 108.800 0.024 0.000 2.395 220 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.300 220 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.300 220 G C 0.503 175.409 174.900 0.010 0.000 0.998 220 G CA 0.367 45.479 45.100 0.020 0.000 1.046 220 G HN 0.495 nan 8.290 nan 0.000 0.513 221 D N -0.047 120.353 120.400 -0.001 0.000 2.178 221 D HA -0.075 4.565 4.640 -0.000 0.000 0.201 221 D C 2.429 178.708 176.300 -0.035 0.000 0.980 221 D CA 1.567 55.559 54.000 -0.014 0.000 0.842 221 D CB -0.525 40.233 40.800 -0.070 0.000 0.948 221 D HN 0.551 nan 8.370 nan 0.000 0.472 222 G N 0.503 109.278 108.800 -0.042 0.000 2.408 222 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.217 222 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.217 222 G C 1.858 176.745 174.900 -0.022 0.000 1.150 222 G CA 0.586 45.661 45.100 -0.042 0.000 0.776 222 G HN 0.234 nan 8.290 nan 0.000 0.542 223 V N 1.648 121.553 119.914 -0.015 0.000 2.307 223 V HA -0.053 4.067 4.120 -0.000 0.000 0.245 223 V C 3.166 179.273 176.094 0.020 0.000 1.045 223 V CA 1.943 64.243 62.300 -0.001 0.000 1.024 223 V CB -1.188 30.636 31.823 0.002 0.000 0.651 223 V HN 0.414 nan 8.190 nan 0.000 0.449 224 G N -0.447 108.367 108.800 0.025 0.000 2.514 224 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.217 224 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.217 224 G C 1.658 176.580 174.900 0.037 0.000 1.198 224 G CA 1.488 46.612 45.100 0.039 0.000 0.780 224 G HN 0.420 nan 8.290 nan 0.000 0.565 225 M N 0.632 120.244 119.600 0.021 0.000 2.159 225 M HA 0.002 4.482 4.480 -0.000 0.000 0.263 225 M C 3.014 179.324 176.300 0.016 0.000 1.063 225 M CA 1.349 56.659 55.300 0.016 0.000 1.110 225 M CB -0.154 32.442 32.600 -0.007 0.000 1.374 225 M HN 0.350 nan 8.290 nan 0.000 0.411 226 A N 0.468 123.295 122.820 0.012 0.000 1.873 226 A HA -0.127 4.193 4.320 -0.000 0.000 0.215 226 A C 2.038 179.639 177.584 0.027 0.000 1.186 226 A CA 1.383 53.427 52.037 0.012 0.000 0.616 226 A CB -0.820 18.182 19.000 0.003 0.000 0.823 226 A HN 0.426 nan 8.150 nan 0.000 0.442 227 I N -0.779 119.822 120.570 0.051 0.000 2.127 227 I HA -0.286 3.884 4.170 -0.000 0.000 0.241 227 I C 2.716 178.865 176.117 0.053 0.000 1.075 227 I CA 1.504 62.854 61.300 0.083 0.000 1.334 227 I CB -0.300 37.783 38.000 0.139 0.000 1.040 227 I HN 0.273 nan 8.210 nan 0.000 0.405 228 R N 0.456 120.982 120.500 0.043 0.000 2.193 228 R HA -0.100 4.240 4.340 -0.000 0.000 0.229 228 R C 1.903 178.213 176.300 0.016 0.000 1.110 228 R CA 1.204 57.322 56.100 0.029 0.000 0.988 228 R CB -0.278 30.042 30.300 0.034 0.000 0.871 228 R HN 0.366 nan 8.270 nan 0.000 0.458 229 A N -0.128 122.701 122.820 0.014 0.000 2.275 229 A HA 0.263 4.583 4.320 -0.000 0.000 0.212 229 A C 1.182 178.763 177.584 -0.005 0.000 1.201 229 A CA 0.563 52.603 52.037 0.004 0.000 0.843 229 A CB 0.168 19.172 19.000 0.005 0.000 0.873 229 A HN 0.384 nan 8.150 nan 0.000 0.492 230 G N -1.157 107.639 108.800 -0.006 0.000 2.149 230 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.235 230 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.235 230 G C -0.030 174.853 174.900 -0.027 0.000 1.018 230 G CA 0.162 45.249 45.100 -0.021 0.000 0.728 230 G HN 0.780 nan 8.290 nan 0.000 0.508 231 V N 2.359 122.264 119.914 -0.014 0.000 2.394 231 V HA 0.532 4.652 4.120 -0.000 0.000 0.282 231 V C -1.348 174.743 176.094 -0.005 0.000 1.031 231 V CA -1.628 60.660 62.300 -0.020 0.000 0.881 231 V CB 1.872 33.682 31.823 -0.022 0.000 0.982 231 V HN 0.229 nan 8.190 nan 0.000 0.451 232 P HA 0.209 nan 4.420 nan 0.000 0.271 232 P C -0.571 176.745 177.300 0.026 0.000 1.218 232 P CA 0.115 63.216 63.100 0.001 0.000 0.780 232 P CB 1.300 32.981 31.700 -0.032 0.000 0.901 233 V N -0.057 119.908 119.914 0.086 0.000 2.850 233 V HA 0.658 4.778 4.120 -0.000 0.000 0.315 233 V C -0.390 175.724 176.094 0.033 0.000 1.064 233 V CA -0.879 61.447 62.300 0.042 0.000 0.979 233 V CB 1.463 33.311 31.823 0.043 0.000 1.039 233 V HN 0.640 nan 8.190 nan 0.000 0.452 234 Q N 0.288 120.074 119.800 -0.022 0.000 2.372 234 Q HA 0.385 4.725 4.340 -0.000 0.000 0.273 234 Q C -0.933 175.048 176.000 -0.031 0.000 1.078 234 Q CA -0.423 55.367 55.803 -0.022 0.000 0.806 234 Q CB 1.852 30.537 28.738 -0.087 0.000 1.332 234 Q HN 0.953 nan 8.270 nan 0.000 0.435 235 D N 3.050 123.469 120.400 0.033 0.000 2.737 235 D HA -0.207 4.433 4.640 -0.000 0.000 0.233 235 D C 0.716 176.985 176.300 -0.052 0.000 1.155 235 D CA 0.749 54.769 54.000 0.034 0.000 0.667 235 D CB -0.244 40.595 40.800 0.064 0.000 1.060 235 D HN 0.652 nan 8.370 nan 0.000 0.427 236 M N -0.219 119.346 119.600 -0.057 0.000 2.358 236 M HA -0.139 4.341 4.480 -0.000 0.000 0.264 236 M C 2.124 178.399 176.300 -0.042 0.000 1.064 236 M CA 1.330 56.571 55.300 -0.098 0.000 1.093 236 M CB -0.467 32.089 32.600 -0.075 0.000 1.401 236 M HN 0.315 nan 8.290 nan 0.000 0.440 237 E N -0.550 119.637 120.200 -0.020 0.000 2.418 237 E HA -0.105 4.245 4.350 -0.000 0.000 0.197 237 E C 0.141 176.812 176.600 0.118 0.000 1.026 237 E CA 0.459 56.883 56.400 0.039 0.000 0.862 237 E CB -0.243 29.331 29.700 -0.210 0.000 0.799 237 E HN 0.287 nan 8.360 nan 0.000 0.518 238 M N 1.281 120.877 119.600 -0.006 0.000 2.557 238 M HA 0.190 4.670 4.480 -0.000 0.000 0.328 238 M C -1.300 174.942 176.300 -0.098 0.000 1.423 238 M CA 0.009 55.322 55.300 0.022 0.000 1.418 238 M CB -1.166 31.436 32.600 0.004 0.000 1.381 238 M HN 0.077 nan 8.290 nan 0.000 0.467 239 W N 2.294 123.674 121.300 0.133 0.000 2.362 239 W HA 0.404 5.064 4.660 0.000 0.000 0.316 239 W C 0.375 176.939 176.519 0.075 0.000 1.024 239 W CA -0.566 56.819 57.345 0.066 0.000 1.270 239 W CB 1.047 30.548 29.460 0.067 0.000 1.273 239 W HN 0.493 nan 8.180 nan 0.000 0.424 240 Q N 3.665 123.611 119.800 0.242 0.000 2.296 240 Q HA 0.238 4.578 4.340 -0.000 0.000 0.263 240 Q C -1.111 174.963 176.000 0.124 0.000 1.026 240 Q CA -0.102 55.835 55.803 0.224 0.000 0.912 240 Q CB 0.402 29.271 28.738 0.219 0.000 1.198 240 Q HN 0.403 nan 8.270 nan 0.000 0.407 241 F N 3.946 123.960 119.950 0.106 0.000 2.390 241 F HA 0.147 4.674 4.527 0.000 0.000 0.361 241 F C 0.749 176.575 175.800 0.042 0.000 1.124 241 F CA -0.669 57.367 58.000 0.059 0.000 1.149 241 F CB 0.549 39.526 39.000 -0.039 0.000 1.160 241 F HN 0.577 nan 8.300 nan 0.000 0.501 242 H N 6.579 125.686 119.070 0.061 0.000 2.964 242 H HA 0.030 4.585 4.556 -0.000 0.000 0.328 242 H C -1.582 173.723 175.328 -0.037 0.000 1.030 242 H CA -1.380 54.607 56.048 -0.102 0.000 1.445 242 H CB 1.579 31.091 29.762 -0.417 0.000 1.449 242 H HN 0.349 nan 8.280 nan 0.000 0.581 243 P HA -0.109 nan 4.420 nan 0.000 0.215 243 P C 0.483 177.851 177.300 0.113 0.000 1.153 243 P CA 1.418 64.517 63.100 -0.002 0.000 0.853 243 P CB 0.094 31.721 31.700 -0.121 0.000 0.788 244 T N -2.337 112.375 114.554 0.262 0.000 3.332 244 T HA 0.620 4.970 4.350 -0.000 0.000 0.385 244 T C 0.421 175.147 174.700 0.044 0.000 1.695 244 T CA -0.842 61.341 62.100 0.138 0.000 1.397 244 T CB 0.086 69.006 68.868 0.087 0.000 1.100 244 T HN 0.012 nan 8.240 nan 0.000 0.669 245 G N 1.904 110.723 108.800 0.033 0.000 2.412 245 G HA2 0.613 4.573 3.960 -0.000 0.000 0.318 245 G HA3 0.613 4.573 3.960 -0.000 0.000 0.318 245 G C -0.101 174.793 174.900 -0.011 0.000 1.146 245 G CA -1.173 43.913 45.100 -0.023 0.000 0.882 245 G HN 0.773 nan 8.290 nan 0.000 0.501 246 I N 1.701 122.255 120.570 -0.027 0.000 2.587 246 I HA 0.149 4.319 4.170 -0.000 0.000 0.284 246 I C 1.284 177.415 176.117 0.023 0.000 1.134 246 I CA -0.103 61.188 61.300 -0.016 0.000 1.410 246 I CB 0.875 38.884 38.000 0.015 0.000 1.392 246 I HN 0.509 nan 8.210 nan 0.000 0.545 247 A N 5.254 128.078 122.820 0.007 0.000 2.520 247 A HA 0.403 4.723 4.320 -0.000 0.000 0.245 247 A C 1.380 179.069 177.584 0.175 0.000 1.072 247 A CA 0.506 52.593 52.037 0.083 0.000 0.761 247 A CB -0.256 18.774 19.000 0.050 0.000 1.004 247 A HN 1.227 nan 8.150 nan 0.000 0.499 248 G N 0.872 109.767 108.800 0.158 0.000 2.212 248 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.266 248 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.266 248 G C 0.934 175.914 174.900 0.133 0.000 0.978 248 G CA 1.272 46.467 45.100 0.158 0.000 0.632 248 G HN 2.030 nan 8.290 nan 0.000 0.537 249 A N -1.376 121.510 122.820 0.110 0.000 2.074 249 A HA 0.626 4.946 4.320 -0.000 0.000 0.200 249 A C 2.737 180.295 177.584 -0.043 0.000 1.335 249 A CA 1.910 53.979 52.037 0.054 0.000 0.922 249 A CB -0.217 18.839 19.000 0.093 0.000 0.972 249 A HN 2.308 nan 8.150 nan 0.000 0.475 250 G N -0.887 107.899 108.800 -0.024 0.000 2.245 250 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.264 250 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.264 250 G C 0.392 175.232 174.900 -0.099 0.000 0.985 250 G CA 0.315 45.389 45.100 -0.043 0.000 0.625 250 G HN 0.959 nan 8.290 nan 0.000 0.536 251 V N 1.973 121.775 119.914 -0.186 0.000 2.540 251 V HA 0.361 4.481 4.120 -0.000 0.000 0.297 251 V C 1.108 177.127 176.094 -0.126 0.000 1.024 251 V CA 0.283 62.446 62.300 -0.228 0.000 1.105 251 V CB 1.251 32.794 31.823 -0.467 0.000 0.938 251 V HN 0.584 nan 8.190 nan 0.000 0.482 252 L N 8.027 129.188 121.223 -0.104 0.000 2.416 252 L HA 0.423 4.763 4.340 -0.000 0.000 0.272 252 L C 0.019 176.814 176.870 -0.124 0.000 1.161 252 L CA 0.364 55.115 54.840 -0.148 0.000 0.845 252 L CB 1.134 43.090 42.059 -0.171 0.000 1.119 252 L HN 0.582 nan 8.230 nan 0.000 0.464 253 V N 1.744 121.573 119.914 -0.142 0.000 2.547 253 V HA 0.493 4.613 4.120 -0.000 0.000 0.299 253 V C 0.365 176.389 176.094 -0.116 0.000 1.040 253 V CA -0.492 61.753 62.300 -0.091 0.000 0.913 253 V CB 1.131 32.922 31.823 -0.053 0.000 0.992 253 V HN 0.894 nan 8.190 nan 0.000 0.449 254 T N 1.438 115.965 114.554 -0.044 0.000 2.932 254 T HA 0.056 4.406 4.350 -0.000 0.000 0.312 254 T C 0.996 175.706 174.700 0.016 0.000 1.071 254 T CA 0.868 62.975 62.100 0.012 0.000 1.128 254 T CB 0.658 69.589 68.868 0.104 0.000 0.984 254 T HN 1.110 nan 8.240 nan 0.000 0.549 255 E N 2.145 122.354 120.200 0.014 0.000 2.409 255 E HA -0.028 4.322 4.350 -0.000 0.000 0.198 255 E C 1.957 178.296 176.600 -0.434 0.000 1.024 255 E CA 0.937 57.164 56.400 -0.289 0.000 0.861 255 E CB -0.658 28.673 29.700 -0.615 0.000 0.788 255 E HN 0.903 nan 8.360 nan 0.000 0.521 256 G N 0.024 108.756 108.800 -0.114 0.000 2.509 256 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.218 256 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.218 256 G C 1.487 176.408 174.900 0.035 0.000 1.124 256 G CA 0.697 45.866 45.100 0.114 0.000 0.776 256 G HN 0.373 nan 8.290 nan 0.000 0.547 257 C N 0.185 119.475 119.300 -0.017 0.000 2.436 257 C HA 0.009 4.469 4.460 -0.000 0.000 0.277 257 C C 2.946 177.913 174.990 -0.038 0.000 1.241 257 C CA 0.819 59.820 59.018 -0.028 0.000 1.721 257 C CB -0.727 26.989 27.740 -0.041 0.000 2.043 257 C HN 0.441 nan 8.230 nan 0.000 0.472 258 R N 0.817 121.274 120.500 -0.071 0.000 2.148 258 R HA 0.049 4.389 4.340 -0.000 0.000 0.223 258 R C 2.336 178.615 176.300 -0.035 0.000 1.088 258 R CA 1.215 57.283 56.100 -0.053 0.000 0.985 258 R CB -0.685 29.560 30.300 -0.092 0.000 0.880 258 R HN 0.606 nan 8.270 nan 0.000 0.451 259 G N 0.658 109.420 108.800 -0.062 0.000 2.443 259 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.219 259 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.219 259 G C 1.068 176.016 174.900 0.079 0.000 1.131 259 G CA 0.373 45.484 45.100 0.020 0.000 0.775 259 G HN 0.206 nan 8.290 nan 0.000 0.547 260 E N -0.055 120.189 120.200 0.073 0.000 2.479 260 E HA 0.191 4.541 4.350 -0.000 0.000 0.193 260 E C 1.599 178.237 176.600 0.064 0.000 1.049 260 E CA 0.573 57.022 56.400 0.083 0.000 0.870 260 E CB 0.518 30.261 29.700 0.071 0.000 0.944 260 E HN 0.447 nan 8.360 nan 0.000 0.492 261 G N 0.941 109.788 108.800 0.078 0.000 2.164 261 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.154 261 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.154 261 G C 0.548 175.599 174.900 0.252 0.000 1.014 261 G CA -0.314 44.881 45.100 0.159 0.000 0.683 261 G HN 0.417 nan 8.290 nan 0.000 0.500 262 G N -0.155 108.704 108.800 0.099 0.000 2.539 262 G HA2 0.734 4.694 3.960 -0.000 0.000 0.258 262 G HA3 0.734 4.694 3.960 -0.000 0.000 0.258 262 G C -0.271 174.687 174.900 0.097 0.000 1.202 262 G CA 0.084 45.207 45.100 0.038 0.000 0.851 262 G HN 1.298 nan 8.290 nan 0.000 0.556 263 Y N -1.512 118.820 120.300 0.054 0.000 2.644 263 Y HA 0.700 5.250 4.550 -0.000 0.000 0.338 263 Y C -0.807 175.050 175.900 -0.072 0.000 1.119 263 Y CA -1.772 56.300 58.100 -0.047 0.000 1.060 263 Y CB 1.220 39.636 38.460 -0.074 0.000 1.294 263 Y HN 0.394 nan 8.280 nan 0.000 0.472 264 L N 2.952 124.191 121.223 0.027 0.000 2.292 264 L HA 0.565 4.905 4.340 -0.000 0.000 0.284 264 L C -0.656 176.221 176.870 0.011 0.000 1.065 264 L CA -0.500 54.300 54.840 -0.067 0.000 0.806 264 L CB 1.096 42.988 42.059 -0.279 0.000 1.175 264 L HN 0.535 nan 8.230 nan 0.000 0.431 265 L N 2.756 124.092 121.223 0.189 0.000 2.333 265 L HA 0.535 4.875 4.340 -0.000 0.000 0.269 265 L C -0.293 176.816 176.870 0.399 0.000 1.010 265 L CA -0.915 54.096 54.840 0.285 0.000 0.818 265 L CB 1.913 44.087 42.059 0.192 0.000 1.306 265 L HN 0.660 nan 8.230 nan 0.000 0.430 266 N N 0.558 119.492 118.700 0.390 0.000 2.604 266 N HA 0.194 4.934 4.740 -0.000 0.000 0.297 266 N C 0.424 175.961 175.510 0.044 0.000 1.266 266 N CA -0.885 52.263 53.050 0.162 0.000 0.961 266 N CB 0.408 38.938 38.487 0.072 0.000 1.166 266 N HN 0.588 nan 8.380 nan 0.000 0.601 267 K N -1.336 119.004 120.400 -0.100 0.000 2.211 267 K HA -0.159 4.161 4.320 -0.000 0.000 0.204 267 K C 0.440 176.910 176.600 -0.217 0.000 1.047 267 K CA 1.359 57.523 56.287 -0.204 0.000 0.935 267 K CB -0.407 31.898 32.500 -0.325 0.000 0.728 267 K HN 0.498 nan 8.250 nan 0.000 0.452 268 H N -0.153 118.940 119.070 0.037 0.000 2.533 268 H HA 0.139 4.695 4.556 -0.000 0.000 0.271 268 H C 1.219 176.584 175.328 0.060 0.000 1.000 268 H CA 0.686 56.760 56.048 0.042 0.000 1.149 268 H CB 0.672 30.455 29.762 0.035 0.000 1.375 268 H HN 0.635 nan 8.280 nan 0.000 0.582 269 G N 1.247 110.136 108.800 0.149 0.000 2.189 269 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.267 269 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.267 269 G C 0.375 175.369 174.900 0.158 0.000 0.975 269 G CA 0.523 45.706 45.100 0.139 0.000 0.644 269 G HN 0.502 nan 8.290 nan 0.000 0.537 270 E N 0.595 120.908 120.200 0.188 0.000 2.360 270 E HA 0.220 4.570 4.350 -0.000 0.000 0.269 270 E C 0.702 177.427 176.600 0.209 0.000 1.022 270 E CA -0.635 55.866 56.400 0.169 0.000 0.887 270 E CB 0.277 30.078 29.700 0.168 0.000 0.990 270 E HN 0.373 nan 8.360 nan 0.000 0.426 271 R N 5.523 126.083 120.500 0.100 0.000 3.247 271 R HA 0.017 4.357 4.340 -0.000 0.000 0.212 271 R C 0.782 177.075 176.300 -0.011 0.000 1.604 271 R CA -0.165 55.943 56.100 0.013 0.000 1.279 271 R CB -0.662 29.554 30.300 -0.140 0.000 1.277 271 R HN 0.528 nan 8.270 nan 0.000 0.669 272 F N 1.375 121.397 119.950 0.121 0.000 2.494 272 F HA -0.109 4.418 4.527 0.000 0.000 0.298 272 F C 1.238 177.182 175.800 0.240 0.000 1.106 272 F CA 0.261 58.365 58.000 0.172 0.000 1.452 272 F CB -0.170 38.992 39.000 0.270 0.000 1.085 272 F HN 0.284 nan 8.300 nan 0.000 0.569 273 M N 1.100 120.531 119.600 -0.281 0.000 2.476 273 M HA -0.071 4.409 4.480 -0.000 0.000 0.262 273 M C 1.783 178.100 176.300 0.028 0.000 1.079 273 M CA 0.974 56.216 55.300 -0.097 0.000 1.104 273 M CB -1.080 31.364 32.600 -0.261 0.000 1.409 273 M HN 0.386 nan 8.290 nan 0.000 0.467 274 E N -0.673 119.521 120.200 -0.009 0.000 2.152 274 E HA -0.162 4.188 4.350 -0.000 0.000 0.192 274 E C 2.122 178.733 176.600 0.019 0.000 0.983 274 E CA 0.737 57.133 56.400 -0.007 0.000 0.818 274 E CB -0.054 29.620 29.700 -0.043 0.000 0.758 274 E HN 0.436 nan 8.360 nan 0.000 0.467 275 R N 0.036 120.550 120.500 0.023 0.000 2.062 275 R HA -0.114 4.226 4.340 -0.000 0.000 0.229 275 R C 1.789 178.068 176.300 -0.036 0.000 1.128 275 R CA 1.164 57.234 56.100 -0.049 0.000 0.960 275 R CB -0.117 30.097 30.300 -0.144 0.000 0.855 275 R HN 0.172 nan 8.270 nan 0.000 0.432 276 Y N -0.426 119.937 120.300 0.104 0.000 2.293 276 Y HA 0.072 4.622 4.550 -0.000 0.000 0.291 276 Y C 0.735 176.693 175.900 0.096 0.000 1.137 276 Y CA 1.049 59.218 58.100 0.115 0.000 1.202 276 Y CB 0.296 38.854 38.460 0.164 0.000 0.990 276 Y HN 0.160 nan 8.280 nan 0.000 0.537 277 A N -0.889 122.063 122.820 0.220 0.000 2.984 277 A HA 0.420 4.740 4.320 -0.000 0.000 0.320 277 A C -2.181 175.469 177.584 0.110 0.000 1.142 277 A CA -1.133 51.007 52.037 0.173 0.000 0.772 277 A CB 0.352 19.457 19.000 0.175 0.000 1.195 277 A HN -0.035 nan 8.150 nan 0.000 0.459 278 P HA -0.192 nan 4.420 nan 0.000 0.216 278 P C 1.240 178.562 177.300 0.038 0.000 1.150 278 P CA 1.492 64.618 63.100 0.043 0.000 0.843 278 P CB 0.293 32.012 31.700 0.033 0.000 0.787 279 N N -0.562 118.174 118.700 0.059 0.000 2.124 279 N HA -0.041 4.699 4.740 -0.000 0.000 0.189 279 N C 1.758 177.301 175.510 0.056 0.000 1.050 279 N CA 1.549 54.629 53.050 0.050 0.000 0.848 279 N CB -0.974 37.546 38.487 0.055 0.000 1.027 279 N HN 0.031 nan 8.380 nan 0.000 0.435 280 A N 0.784 123.667 122.820 0.104 0.000 2.067 280 A HA -0.010 4.310 4.320 -0.000 0.000 0.217 280 A C 0.984 178.589 177.584 0.035 0.000 1.156 280 A CA 0.631 52.724 52.037 0.093 0.000 0.683 280 A CB -0.118 18.993 19.000 0.185 0.000 0.808 280 A HN 0.348 nan 8.150 nan 0.000 0.455 281 K N -1.649 118.771 120.400 0.032 0.000 1.751 281 K HA -0.284 4.036 4.320 -0.000 0.000 0.134 281 K C 0.261 176.834 176.600 -0.044 0.000 1.167 281 K CA 1.975 58.257 56.287 -0.008 0.000 0.330 281 K CB -1.439 31.041 32.500 -0.032 0.000 0.663 281 K HN 0.388 nan 8.250 nan 0.000 0.817 282 D N 1.149 121.512 120.400 -0.063 0.000 2.352 282 D HA 0.079 4.719 4.640 -0.000 0.000 0.232 282 D C 0.486 176.723 176.300 -0.105 0.000 1.055 282 D CA 0.598 54.545 54.000 -0.089 0.000 0.891 282 D CB 0.020 40.790 40.800 -0.050 0.000 0.897 282 D HN 0.167 nan 8.370 nan 0.000 0.529 283 L N 0.237 121.408 121.223 -0.087 0.000 3.209 283 L HA 0.441 4.781 4.340 -0.000 0.000 0.279 283 L C 0.511 177.303 176.870 -0.130 0.000 1.301 283 L CA -0.603 54.173 54.840 -0.107 0.000 1.004 283 L CB 0.293 42.321 42.059 -0.050 0.000 1.402 283 L HN -0.033 nan 8.230 nan 0.000 0.577 284 A N 0.003 122.700 122.820 -0.205 0.000 2.296 284 A HA 0.590 4.910 4.320 -0.000 0.000 0.264 284 A C 0.899 178.059 177.584 -0.707 0.000 1.097 284 A CA 0.220 51.977 52.037 -0.466 0.000 0.811 284 A CB 0.118 18.921 19.000 -0.328 0.000 1.072 284 A HN 0.321 nan 8.150 nan 0.000 0.495 285 G N -0.587 107.335 108.800 -1.464 0.000 2.321 285 G HA2 0.199 4.159 3.960 -0.000 0.000 0.237 285 G HA3 0.199 4.159 3.960 -0.000 0.000 0.237 285 G C 0.791 175.442 174.900 -0.415 0.000 1.282 285 G CA -0.098 44.526 45.100 -0.795 0.000 0.886 285 G HN 0.810 nan 8.290 nan 0.000 0.528 286 R N 0.969 121.312 120.500 -0.261 0.000 2.083 286 R HA -0.148 4.192 4.340 -0.000 0.000 0.237 286 R C 2.428 178.642 176.300 -0.144 0.000 1.137 286 R CA 1.803 57.771 56.100 -0.220 0.000 0.951 286 R CB -0.174 30.000 30.300 -0.211 0.000 0.851 286 R HN 0.839 nan 8.270 nan 0.000 0.434 287 D N 0.409 120.759 120.400 -0.083 0.000 2.158 287 D HA -0.150 4.490 4.640 -0.000 0.000 0.197 287 D C 1.826 178.077 176.300 -0.081 0.000 0.995 287 D CA 1.227 55.199 54.000 -0.046 0.000 0.846 287 D CB -0.519 40.286 40.800 0.008 0.000 0.941 287 D HN 0.103 nan 8.370 nan 0.000 0.456 288 V N 0.876 120.736 119.914 -0.089 0.000 2.307 288 V HA -0.211 3.909 4.120 -0.000 0.000 0.245 288 V C 2.974 179.008 176.094 -0.100 0.000 1.045 288 V CA 1.409 63.670 62.300 -0.065 0.000 1.024 288 V CB -0.302 31.495 31.823 -0.043 0.000 0.651 288 V HN 0.124 nan 8.190 nan 0.000 0.449 289 V N 0.483 120.313 119.914 -0.139 0.000 2.407 289 V HA -0.249 3.871 4.120 -0.000 0.000 0.248 289 V C 2.685 178.725 176.094 -0.090 0.000 1.055 289 V CA 1.879 64.109 62.300 -0.117 0.000 1.049 289 V CB -1.334 30.397 31.823 -0.154 0.000 0.662 289 V HN 0.545 nan 8.190 nan 0.000 0.455 290 A N 0.148 122.905 122.820 -0.105 0.000 1.877 290 A HA -0.227 4.093 4.320 -0.000 0.000 0.216 290 A C 2.436 179.934 177.584 -0.143 0.000 1.186 290 A CA 1.926 53.906 52.037 -0.095 0.000 0.620 290 A CB -0.497 18.457 19.000 -0.076 0.000 0.822 290 A HN 0.490 nan 8.150 nan 0.000 0.443 291 R N -0.317 120.072 120.500 -0.186 0.000 2.075 291 R HA -0.065 4.275 4.340 -0.000 0.000 0.232 291 R C 2.582 178.817 176.300 -0.107 0.000 1.126 291 R CA 1.402 57.399 56.100 -0.172 0.000 0.963 291 R CB -0.381 29.833 30.300 -0.144 0.000 0.858 291 R HN 0.540 nan 8.270 nan 0.000 0.435 292 S N 1.314 116.850 115.700 -0.274 0.000 2.359 292 S HA -0.177 4.293 4.470 -0.000 0.000 0.222 292 S C 1.997 176.349 174.600 -0.414 0.000 1.038 292 S CA 1.403 59.178 58.200 -0.708 0.000 1.051 292 S CB -0.306 62.535 63.200 -0.598 0.000 0.944 292 S HN 0.233 nan 8.310 nan 0.000 0.433 293 I N 1.172 121.675 120.570 -0.111 0.000 2.194 293 I HA -0.230 3.940 4.170 -0.000 0.000 0.246 293 I C 2.285 178.327 176.117 -0.125 0.000 1.093 293 I CA 1.052 62.293 61.300 -0.100 0.000 1.355 293 I CB -0.338 37.700 38.000 0.065 0.000 1.046 293 I HN 0.290 nan 8.210 nan 0.000 0.413 294 M N -0.108 119.469 119.600 -0.038 0.000 2.229 294 M HA -0.099 4.381 4.480 -0.000 0.000 0.264 294 M C 2.314 178.664 176.300 0.082 0.000 1.063 294 M CA 1.658 56.999 55.300 0.069 0.000 1.114 294 M CB -0.872 31.853 32.600 0.209 0.000 1.387 294 M HN 0.213 nan 8.290 nan 0.000 0.420 295 I N -0.389 120.213 120.570 0.054 0.000 2.233 295 I HA -0.233 3.937 4.170 -0.000 0.000 0.243 295 I C 2.346 178.451 176.117 -0.019 0.000 1.093 295 I CA 0.802 62.127 61.300 0.042 0.000 1.380 295 I CB -0.426 37.653 38.000 0.133 0.000 1.067 295 I HN 0.204 nan 8.210 nan 0.000 0.413 296 E N 1.105 121.228 120.200 -0.128 0.000 2.049 296 E HA -0.236 4.114 4.350 -0.000 0.000 0.198 296 E C 2.299 178.816 176.600 -0.139 0.000 1.007 296 E CA 1.579 57.854 56.400 -0.208 0.000 0.809 296 E CB -0.417 28.936 29.700 -0.579 0.000 0.749 296 E HN 0.519 nan 8.360 nan 0.000 0.450 297 I N 0.385 120.880 120.570 -0.126 0.000 2.163 297 I HA -0.260 3.910 4.170 -0.000 0.000 0.243 297 I C 2.671 178.762 176.117 -0.044 0.000 1.085 297 I CA 1.091 62.346 61.300 -0.075 0.000 1.347 297 I CB -0.221 37.753 38.000 -0.043 0.000 1.044 297 I HN -0.002 nan 8.210 nan 0.000 0.408 298 R N 0.702 121.184 120.500 -0.030 0.000 2.316 298 R HA -0.086 4.254 4.340 -0.000 0.000 0.202 298 R C 0.443 176.719 176.300 -0.041 0.000 1.029 298 R CA 0.733 56.815 56.100 -0.030 0.000 1.018 298 R CB 0.129 30.409 30.300 -0.033 0.000 0.888 298 R HN 0.417 nan 8.270 nan 0.000 0.471 299 E N -1.199 118.980 120.200 -0.035 0.000 2.815 299 E HA 0.173 4.523 4.350 -0.000 0.000 0.211 299 E C 0.208 176.799 176.600 -0.014 0.000 1.004 299 E CA 0.163 56.547 56.400 -0.027 0.000 1.173 299 E CB 1.305 30.994 29.700 -0.019 0.000 1.163 299 E HN 0.367 nan 8.360 nan 0.000 0.449 300 G N 1.889 110.674 108.800 -0.024 0.000 2.187 300 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.261 300 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.261 300 G C 0.948 175.829 174.900 -0.032 0.000 1.000 300 G CA 0.430 45.515 45.100 -0.024 0.000 0.718 300 G HN 0.343 nan 8.290 nan 0.000 0.519 301 R N 0.183 120.660 120.500 -0.038 0.000 2.359 301 R HA 0.284 4.624 4.340 -0.000 0.000 0.231 301 R C 1.687 177.904 176.300 -0.138 0.000 0.913 301 R CA 0.337 56.404 56.100 -0.054 0.000 1.075 301 R CB 0.396 30.720 30.300 0.041 0.000 1.087 301 R HN 0.368 nan 8.270 nan 0.000 0.515 302 G N 0.085 108.798 108.800 -0.145 0.000 2.562 302 G HA2 0.284 4.244 3.960 -0.000 0.000 0.275 302 G HA3 0.284 4.244 3.960 -0.000 0.000 0.275 302 G C -0.126 174.638 174.900 -0.227 0.000 1.196 302 G CA -0.561 44.427 45.100 -0.187 0.000 0.908 302 G HN 0.125 nan 8.290 nan 0.000 0.524 303 C N -0.724 118.346 119.300 -0.383 0.000 2.354 303 C HA 0.720 5.180 4.460 -0.000 0.000 0.381 303 C C 0.305 175.118 174.990 -0.296 0.000 1.240 303 C CA -0.566 58.224 59.018 -0.379 0.000 2.089 303 C CB 1.658 29.113 27.740 -0.475 0.000 2.234 303 C HN 0.807 nan 8.230 nan 0.000 0.544 304 D N -1.876 118.524 120.400 -0.000 0.000 2.837 304 D HA 0.656 5.296 4.640 -0.000 0.000 0.294 304 D C -0.079 176.482 176.300 0.435 0.000 1.158 304 D CA 0.717 54.851 54.000 0.223 0.000 1.073 304 D CB 2.331 43.199 40.800 0.115 0.000 1.419 304 D HN 0.952 nan 8.370 nan 0.000 0.584 305 G N -0.297 108.684 108.800 0.302 0.000 2.302 305 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.276 305 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.276 305 G C -2.386 172.479 174.900 -0.059 0.000 1.316 305 G CA -0.276 44.918 45.100 0.156 0.000 0.988 305 G HN 0.329 nan 8.290 nan 0.000 0.479 306 P HA 0.007 nan 4.420 nan 0.000 0.219 306 P C 1.378 178.482 177.300 -0.327 0.000 1.146 306 P CA 1.602 64.394 63.100 -0.514 0.000 0.808 306 P CB 0.010 31.189 31.700 -0.868 0.000 0.779 307 W N -0.328 120.980 121.300 0.013 0.000 2.770 307 W HA 0.313 4.973 4.660 0.000 0.000 0.256 307 W C 1.069 177.621 176.519 0.055 0.000 1.291 307 W CA 0.907 58.248 57.345 -0.006 0.000 1.396 307 W CB -0.970 28.400 29.460 -0.150 0.000 1.114 307 W HN 0.022 nan 8.180 nan 0.000 0.637 308 G N 0.541 109.535 108.800 0.324 0.000 2.728 308 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.294 308 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.294 308 G C -2.923 172.207 174.900 0.383 0.000 1.342 308 G CA -1.353 43.906 45.100 0.266 0.000 0.866 308 G HN -0.258 nan 8.290 nan 0.000 0.534 309 P HA 0.237 nan 4.420 nan 0.000 0.262 309 P C 0.008 177.442 177.300 0.224 0.000 1.182 309 P CA 1.141 64.335 63.100 0.157 0.000 0.761 309 P CB 0.248 31.997 31.700 0.083 0.000 0.795 310 H N 0.623 119.723 119.070 0.050 0.000 2.950 310 H HA 0.684 5.240 4.556 -0.000 0.000 0.307 310 H C -1.827 173.505 175.328 0.007 0.000 1.403 310 H CA -1.209 54.854 56.048 0.026 0.000 1.145 310 H CB 0.536 30.307 29.762 0.015 0.000 1.844 310 H HN 0.395 nan 8.280 nan 0.000 0.515 311 A N 1.370 124.259 122.820 0.114 0.000 2.320 311 A HA 0.517 4.837 4.320 -0.000 0.000 0.334 311 A C -0.296 177.406 177.584 0.195 0.000 1.147 311 A CA -0.952 51.154 52.037 0.114 0.000 0.820 311 A CB 1.087 20.217 19.000 0.216 0.000 1.218 311 A HN 0.504 nan 8.150 nan 0.000 0.482 312 K N 1.071 121.563 120.400 0.153 0.000 2.211 312 K HA 0.352 4.672 4.320 -0.000 0.000 0.275 312 K C -1.444 175.184 176.600 0.046 0.000 1.024 312 K CA -0.480 55.861 56.287 0.091 0.000 0.887 312 K CB 1.565 34.103 32.500 0.064 0.000 1.084 312 K HN 0.512 nan 8.250 nan 0.000 0.463 313 L N 3.897 125.108 121.223 -0.020 0.000 2.277 313 L HA 0.263 4.603 4.340 -0.000 0.000 0.284 313 L C -0.250 176.548 176.870 -0.120 0.000 1.028 313 L CA -0.130 54.672 54.840 -0.064 0.000 0.835 313 L CB 0.652 42.680 42.059 -0.053 0.000 1.215 313 L HN 0.413 nan 8.230 nan 0.000 0.425 314 K N 5.184 125.458 120.400 -0.209 0.000 2.248 314 K HA 0.391 4.711 4.320 -0.000 0.000 0.281 314 K C -0.209 176.273 176.600 -0.197 0.000 1.054 314 K CA -0.331 55.816 56.287 -0.233 0.000 0.903 314 K CB 0.707 32.995 32.500 -0.352 0.000 1.077 314 K HN 0.882 nan 8.250 nan 0.000 0.474 315 L N 3.490 124.634 121.223 -0.131 0.000 2.803 315 L HA 0.024 4.364 4.340 -0.000 0.000 0.246 315 L C 1.676 178.376 176.870 -0.283 0.000 1.100 315 L CA -0.140 54.561 54.840 -0.233 0.000 0.919 315 L CB 0.045 42.004 42.059 -0.167 0.000 1.285 315 L HN 0.784 nan 8.230 nan 0.000 0.522 316 D N 1.208 121.554 120.400 -0.091 0.000 2.203 316 D HA -0.325 4.315 4.640 -0.000 0.000 0.199 316 D C 1.564 177.840 176.300 -0.039 0.000 0.997 316 D CA 1.969 55.942 54.000 -0.045 0.000 0.863 316 D CB -0.553 40.254 40.800 0.011 0.000 0.928 316 D HN 0.611 nan 8.370 nan 0.000 0.458 317 H N 0.736 119.790 119.070 -0.027 0.000 2.561 317 H HA 0.045 4.601 4.556 -0.000 0.000 0.278 317 H C 2.126 177.462 175.328 0.014 0.000 1.014 317 H CA 0.198 56.250 56.048 0.007 0.000 1.211 317 H CB -0.493 29.292 29.762 0.039 0.000 1.365 317 H HN 0.272 nan 8.280 nan 0.000 0.594 318 L N 0.414 121.401 121.223 -0.393 0.000 2.418 318 L HA 0.183 4.523 4.340 -0.000 0.000 0.218 318 L C 0.970 177.783 176.870 -0.095 0.000 1.125 318 L CA 0.495 55.196 54.840 -0.232 0.000 0.835 318 L CB -0.256 41.640 42.059 -0.271 0.000 0.953 318 L HN 0.538 nan 8.230 nan 0.000 0.454 319 G N 0.664 109.419 108.800 -0.075 0.000 2.705 319 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.686 319 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.686 319 G C 0.282 175.158 174.900 -0.039 0.000 1.285 319 G CA 0.020 45.098 45.100 -0.036 0.000 0.800 319 G HN 0.111 nan 8.290 nan 0.000 0.611 320 K N 0.151 120.536 120.400 -0.026 0.000 2.044 320 K HA -0.178 4.142 4.320 -0.000 0.000 0.210 320 K C 2.234 178.817 176.600 -0.028 0.000 1.049 320 K CA 2.232 58.503 56.287 -0.025 0.000 0.927 320 K CB -0.167 32.323 32.500 -0.017 0.000 0.713 320 K HN 0.680 nan 8.250 nan 0.000 0.443 321 E N 0.025 120.210 120.200 -0.024 0.000 2.038 321 E HA -0.180 4.170 4.350 -0.000 0.000 0.195 321 E C 1.912 178.492 176.600 -0.032 0.000 1.000 321 E CA 1.626 58.012 56.400 -0.025 0.000 0.803 321 E CB 0.059 29.748 29.700 -0.018 0.000 0.750 321 E HN 0.142 nan 8.360 nan 0.000 0.448 322 V N 1.447 121.341 119.914 -0.033 0.000 2.343 322 V HA -0.272 3.848 4.120 -0.000 0.000 0.247 322 V C 2.524 178.592 176.094 -0.043 0.000 1.051 322 V CA 1.554 63.831 62.300 -0.038 0.000 1.036 322 V CB -0.483 31.320 31.823 -0.033 0.000 0.654 322 V HN 0.345 nan 8.190 nan 0.000 0.451 323 L N -0.404 120.791 121.223 -0.048 0.000 2.017 323 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 323 L C 2.588 179.435 176.870 -0.038 0.000 1.073 323 L CA 1.857 56.668 54.840 -0.047 0.000 0.745 323 L CB -0.570 41.456 42.059 -0.054 0.000 0.894 323 L HN 0.369 nan 8.230 nan 0.000 0.432 324 E N -0.923 119.255 120.200 -0.037 0.000 2.204 324 E HA -0.181 4.169 4.350 -0.000 0.000 0.194 324 E C 2.271 178.848 176.600 -0.039 0.000 0.989 324 E CA 1.231 57.610 56.400 -0.035 0.000 0.824 324 E CB 0.092 29.773 29.700 -0.031 0.000 0.756 324 E HN 0.372 nan 8.360 nan 0.000 0.477 325 S N 0.111 115.784 115.700 -0.046 0.000 2.387 325 S HA -0.007 4.463 4.470 -0.000 0.000 0.221 325 S C 1.890 176.447 174.600 -0.072 0.000 1.041 325 S CA 0.230 58.394 58.200 -0.060 0.000 0.959 325 S CB 0.220 63.379 63.200 -0.068 0.000 0.843 325 S HN 0.036 nan 8.310 nan 0.000 0.488 326 R N 0.700 121.160 120.500 -0.066 0.000 2.140 326 R HA 0.353 4.693 4.340 -0.000 0.000 0.213 326 R C 0.670 176.968 176.300 -0.002 0.000 1.059 326 R CA 0.615 56.683 56.100 -0.053 0.000 1.000 326 R CB -0.687 29.595 30.300 -0.029 0.000 0.910 326 R HN 0.442 nan 8.270 nan 0.000 0.455 327 L N 1.736 122.954 121.223 -0.008 0.000 3.193 327 L HA 0.265 4.605 4.340 -0.000 0.000 0.305 327 L C -1.715 175.148 176.870 -0.011 0.000 1.299 327 L CA -0.991 53.851 54.840 0.003 0.000 0.904 327 L CB 1.461 43.522 42.059 0.004 0.000 1.331 327 L HN -0.103 nan 8.230 nan 0.000 0.588 328 P HA -0.129 nan 4.420 nan 0.000 0.218 328 P C 1.629 178.915 177.300 -0.022 0.000 1.149 328 P CA 1.415 64.499 63.100 -0.026 0.000 0.817 328 P CB 0.344 32.023 31.700 -0.034 0.000 0.785 329 G N 1.377 110.166 108.800 -0.017 0.000 2.418 329 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.217 329 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.217 329 G C 1.481 176.383 174.900 0.003 0.000 1.158 329 G CA 1.207 46.300 45.100 -0.012 0.000 0.771 329 G HN 0.404 nan 8.290 nan 0.000 0.545 330 I N -1.141 119.431 120.570 0.004 0.000 2.761 330 I HA 0.157 4.327 4.170 -0.000 0.000 0.261 330 I C 2.347 178.464 176.117 -0.001 0.000 1.198 330 I CA 0.547 61.850 61.300 0.006 0.000 1.482 330 I CB -0.325 37.673 38.000 -0.002 0.000 1.100 330 I HN 0.042 nan 8.210 nan 0.000 0.445 331 L N 0.696 121.912 121.223 -0.011 0.000 1.990 331 L HA -0.215 4.125 4.340 -0.000 0.000 0.213 331 L C 2.711 179.570 176.870 -0.017 0.000 1.072 331 L CA 2.026 56.855 54.840 -0.019 0.000 0.755 331 L CB -0.708 41.337 42.059 -0.024 0.000 0.889 331 L HN 0.362 nan 8.230 nan 0.000 0.432 332 E N -0.108 120.083 120.200 -0.015 0.000 2.072 332 E HA -0.184 4.166 4.350 -0.000 0.000 0.191 332 E C 2.399 178.998 176.600 -0.001 0.000 0.985 332 E CA 0.772 57.159 56.400 -0.022 0.000 0.801 332 E CB -0.021 29.665 29.700 -0.024 0.000 0.750 332 E HN 0.399 nan 8.360 nan 0.000 0.452 333 L N 0.421 121.678 121.223 0.057 0.000 2.042 333 L HA -0.240 4.100 4.340 -0.000 0.000 0.210 333 L C 2.685 179.653 176.870 0.162 0.000 1.076 333 L CA 1.188 56.129 54.840 0.169 0.000 0.749 333 L CB -0.498 41.645 42.059 0.140 0.000 0.893 333 L HN 0.168 nan 8.230 nan 0.000 0.432 334 S N -0.104 115.634 115.700 0.064 0.000 2.356 334 S HA -0.186 4.284 4.470 -0.000 0.000 0.223 334 S C 2.103 176.704 174.600 0.002 0.000 1.032 334 S CA 1.228 59.449 58.200 0.036 0.000 1.005 334 S CB -0.088 63.110 63.200 -0.003 0.000 0.867 334 S HN 0.315 nan 8.310 nan 0.000 0.449 335 R N -0.075 120.400 120.500 -0.042 0.000 2.120 335 R HA -0.027 4.313 4.340 -0.000 0.000 0.234 335 R C 2.400 178.544 176.300 -0.260 0.000 1.123 335 R CA 1.858 57.900 56.100 -0.098 0.000 0.975 335 R CB -0.595 29.655 30.300 -0.083 0.000 0.866 335 R HN 0.412 nan 8.270 nan 0.000 0.446 336 T N -0.215 114.167 114.554 -0.286 0.000 2.814 336 T HA 0.003 4.353 4.350 -0.000 0.000 0.254 336 T C 1.055 175.353 174.700 -0.670 0.000 1.037 336 T CA 1.073 62.831 62.100 -0.570 0.000 1.143 336 T CB -0.044 68.400 68.868 -0.707 0.000 0.866 336 T HN 0.087 nan 8.240 nan 0.000 0.431 337 F N 0.347 120.235 119.950 -0.103 0.000 2.749 337 F HA 0.533 5.060 4.527 -0.000 0.000 0.300 337 F C 1.966 177.843 175.800 0.127 0.000 1.103 337 F CA -0.224 57.782 58.000 0.009 0.000 1.342 337 F CB 0.155 39.172 39.000 0.028 0.000 1.098 337 F HN 0.140 nan 8.300 nan 0.000 0.586 338 A N -1.972 120.997 122.820 0.248 0.000 2.390 338 A HA 0.253 4.573 4.320 -0.000 0.000 0.225 338 A C 0.179 178.074 177.584 0.518 0.000 1.232 338 A CA -0.049 52.245 52.037 0.428 0.000 0.964 338 A CB -0.654 18.464 19.000 0.196 0.000 1.064 338 A HN 0.418 nan 8.150 nan 0.000 0.525 339 H N -1.484 117.694 119.070 0.180 0.000 2.820 339 H HA -0.138 4.418 4.556 0.000 0.000 0.295 339 H C -0.546 174.873 175.328 0.152 0.000 1.187 339 H CA 0.776 56.898 56.048 0.123 0.000 1.144 339 H CB -2.021 27.794 29.762 0.088 0.000 1.354 339 H HN 0.228 nan 8.280 nan 0.000 0.395 340 V N 0.682 120.704 119.914 0.179 0.000 2.487 340 V HA 0.196 4.316 4.120 -0.000 0.000 0.298 340 V C 0.200 176.319 176.094 0.043 0.000 1.028 340 V CA -0.860 61.513 62.300 0.122 0.000 0.860 340 V CB 2.006 33.865 31.823 0.061 0.000 0.991 340 V HN 0.276 nan 8.190 nan 0.000 0.427 341 D N 6.852 127.275 120.400 0.037 0.000 2.339 341 D HA 0.320 4.960 4.640 -0.000 0.000 0.241 341 D C -1.755 174.542 176.300 -0.005 0.000 1.183 341 D CA -2.099 51.907 54.000 0.010 0.000 0.859 341 D CB 2.125 42.933 40.800 0.015 0.000 1.067 341 D HN 0.203 nan 8.370 nan 0.000 0.484 342 P HA -0.055 nan 4.420 nan 0.000 0.233 342 P C 1.254 178.530 177.300 -0.040 0.000 1.167 342 P CA 0.238 63.315 63.100 -0.039 0.000 0.770 342 P CB 0.404 32.076 31.700 -0.047 0.000 0.837 343 V N -0.056 119.841 119.914 -0.029 0.000 2.809 343 V HA -0.116 4.004 4.120 -0.000 0.000 0.256 343 V C 1.960 178.046 176.094 -0.013 0.000 1.080 343 V CA 1.592 63.876 62.300 -0.027 0.000 1.102 343 V CB -0.751 31.059 31.823 -0.020 0.000 0.705 343 V HN 0.206 nan 8.190 nan 0.000 0.475 344 K N -0.543 119.855 120.400 -0.004 0.000 2.399 344 K HA 0.315 4.635 4.320 -0.000 0.000 0.196 344 K C 0.628 177.236 176.600 0.013 0.000 1.117 344 K CA 0.139 56.432 56.287 0.010 0.000 0.965 344 K CB 1.428 33.938 32.500 0.018 0.000 0.983 344 K HN 0.406 nan 8.250 nan 0.000 0.531 345 E N 1.254 121.456 120.200 0.003 0.000 2.372 345 E HA 0.286 4.636 4.350 -0.000 0.000 0.279 345 E C -2.917 173.663 176.600 -0.034 0.000 0.946 345 E CA -2.214 54.186 56.400 0.000 0.000 0.769 345 E CB 2.752 32.466 29.700 0.023 0.000 1.230 345 E HN -0.235 nan 8.360 nan 0.000 0.442 346 P HA 0.166 nan 4.420 nan 0.000 0.270 346 P C -0.538 176.679 177.300 -0.138 0.000 1.223 346 P CA 0.118 63.168 63.100 -0.083 0.000 0.785 346 P CB 0.482 32.142 31.700 -0.066 0.000 0.923 347 I N 3.478 123.960 120.570 -0.147 0.000 2.342 347 I HA 0.217 4.387 4.170 -0.000 0.000 0.291 347 I C -1.900 174.050 176.117 -0.278 0.000 1.010 347 I CA -2.494 58.681 61.300 -0.208 0.000 1.308 347 I CB 1.238 39.158 38.000 -0.132 0.000 1.400 347 I HN 0.148 nan 8.210 nan 0.000 0.488 348 P HA 0.061 nan 4.420 nan 0.000 0.269 348 P C -0.581 176.517 177.300 -0.336 0.000 1.263 348 P CA 0.068 62.745 63.100 -0.704 0.000 0.813 348 P CB 0.423 31.102 31.700 -1.700 0.000 0.868 349 V N 2.845 122.707 119.914 -0.086 0.000 2.815 349 V HA 0.737 4.857 4.120 -0.000 0.000 0.314 349 V C -0.431 175.708 176.094 0.075 0.000 1.064 349 V CA -1.210 61.085 62.300 -0.007 0.000 0.952 349 V CB 2.530 34.356 31.823 0.006 0.000 1.020 349 V HN 0.431 nan 8.190 nan 0.000 0.439 350 I N 2.567 123.181 120.570 0.073 0.000 2.827 350 I HA 0.627 4.797 4.170 -0.000 0.000 0.298 350 I C -2.804 173.367 176.117 0.091 0.000 1.235 350 I CA -2.516 58.839 61.300 0.091 0.000 1.021 350 I CB 3.227 41.291 38.000 0.107 0.000 1.259 350 I HN 0.541 nan 8.210 nan 0.000 0.427 351 P HA 0.104 nan 4.420 nan 0.000 0.262 351 P C -1.401 176.015 177.300 0.194 0.000 1.182 351 P CA 0.331 63.507 63.100 0.126 0.000 0.761 351 P CB 0.354 32.094 31.700 0.067 0.000 0.795 352 T N 2.096 116.785 114.554 0.225 0.000 2.893 352 T HA 0.208 4.558 4.350 -0.000 0.000 0.293 352 T C -0.478 174.277 174.700 0.093 0.000 1.027 352 T CA -0.466 61.748 62.100 0.189 0.000 0.988 352 T CB 1.063 69.981 68.868 0.084 0.000 1.043 352 T HN 0.431 nan 8.240 nan 0.000 0.461 353 C N 3.120 122.308 119.300 -0.187 0.000 2.523 353 C HA 0.194 4.654 4.460 -0.000 0.000 0.406 353 C C 1.376 176.245 174.990 -0.202 0.000 1.449 353 C CA 0.898 59.452 59.018 -0.773 0.000 1.588 353 C CB -1.436 25.711 27.740 -0.989 0.000 2.514 353 C HN 1.140 nan 8.230 nan 0.000 0.606 354 H N 2.390 121.341 119.070 -0.198 0.000 2.312 354 H HA 0.288 4.844 4.556 -0.000 0.000 0.215 354 H C -0.831 174.614 175.328 0.195 0.000 0.870 354 H CA 0.596 56.672 56.048 0.047 0.000 0.982 354 H CB 0.278 30.120 29.762 0.133 0.000 1.330 354 H HN 0.750 nan 8.280 nan 0.000 0.399 355 Y N 0.861 121.163 120.300 0.003 0.000 2.504 355 Y HA 0.359 4.909 4.550 -0.000 0.000 0.344 355 Y C -1.385 174.393 175.900 -0.203 0.000 1.023 355 Y CA -1.214 56.815 58.100 -0.119 0.000 1.020 355 Y CB 1.657 40.035 38.460 -0.137 0.000 1.282 355 Y HN 0.114 nan 8.280 nan 0.000 0.454 356 M N 7.471 126.403 119.600 -1.114 0.000 2.111 356 M HA 0.219 4.699 4.480 -0.000 0.000 0.351 356 M C -0.437 175.294 176.300 -0.949 0.000 1.214 356 M CA -0.279 54.205 55.300 -1.361 0.000 1.120 356 M CB 0.879 32.702 32.600 -1.295 0.000 1.443 356 M HN 1.083 nan 8.290 nan 0.000 0.429 357 M N 2.902 122.231 119.600 -0.451 0.000 2.296 357 M HA 0.095 4.575 4.480 -0.000 0.000 0.265 357 M C 1.241 177.453 176.300 -0.146 0.000 1.064 357 M CA 0.915 56.192 55.300 -0.039 0.000 1.109 357 M CB -0.181 32.457 32.600 0.063 0.000 1.396 357 M HN 0.742 nan 8.290 nan 0.000 0.430 358 G N -1.027 107.572 108.800 -0.336 0.000 2.611 358 G HA2 0.522 4.482 3.960 -0.000 0.000 0.273 358 G HA3 0.522 4.482 3.960 -0.000 0.000 0.273 358 G C 0.113 174.870 174.900 -0.239 0.000 1.305 358 G CA -0.086 44.864 45.100 -0.250 0.000 1.010 358 G HN 0.576 nan 8.290 nan 0.000 0.509 359 G N -1.847 106.850 108.800 -0.171 0.000 2.350 359 G HA2 0.263 4.223 3.960 -0.000 0.000 0.276 359 G HA3 0.263 4.223 3.960 -0.000 0.000 0.276 359 G C -1.043 173.795 174.900 -0.104 0.000 1.313 359 G CA -0.759 44.256 45.100 -0.142 0.000 0.903 359 G HN 0.741 nan 8.290 nan 0.000 0.490 360 I N 3.105 123.620 120.570 -0.092 0.000 2.396 360 I HA 0.278 4.448 4.170 -0.000 0.000 0.289 360 I C -1.745 174.308 176.117 -0.106 0.000 1.056 360 I CA -1.660 59.592 61.300 -0.079 0.000 1.365 360 I CB 1.477 39.440 38.000 -0.061 0.000 1.407 360 I HN 0.153 nan 8.210 nan 0.000 0.509 361 P HA 0.042 nan 4.420 nan 0.000 0.267 361 P C -0.471 176.747 177.300 -0.137 0.000 1.209 361 P CA 0.096 63.110 63.100 -0.143 0.000 0.763 361 P CB 0.428 32.053 31.700 -0.125 0.000 0.816 362 T N 0.208 114.667 114.554 -0.158 0.000 2.896 362 T HA 0.523 4.873 4.350 -0.000 0.000 0.297 362 T C -0.150 174.458 174.700 -0.152 0.000 1.108 362 T CA -1.071 60.941 62.100 -0.146 0.000 1.004 362 T CB 1.762 70.552 68.868 -0.130 0.000 1.159 362 T HN 0.062 nan 8.240 nan 0.000 0.499 363 K N 0.456 120.779 120.400 -0.127 0.000 2.120 363 K HA 0.450 4.770 4.320 -0.000 0.000 0.245 363 K C 1.356 177.888 176.600 -0.112 0.000 1.024 363 K CA -0.432 55.786 56.287 -0.114 0.000 0.906 363 K CB 0.409 32.849 32.500 -0.100 0.000 1.051 363 K HN 0.400 nan 8.250 nan 0.000 0.491 364 V N 1.052 120.901 119.914 -0.108 0.000 2.568 364 V HA -0.264 3.856 4.120 -0.000 0.000 0.253 364 V C 2.169 178.265 176.094 0.003 0.000 1.072 364 V CA 2.412 64.673 62.300 -0.066 0.000 1.084 364 V CB -0.899 30.804 31.823 -0.200 0.000 0.676 364 V HN 1.072 nan 8.190 nan 0.000 0.469 365 T N -2.816 111.717 114.554 -0.035 0.000 2.962 365 T HA 0.098 4.448 4.350 -0.000 0.000 0.270 365 T C 1.628 176.445 174.700 0.195 0.000 1.088 365 T CA 1.552 63.693 62.100 0.068 0.000 1.127 365 T CB 0.226 69.104 68.868 0.017 0.000 0.883 365 T HN 0.937 nan 8.240 nan 0.000 0.493 366 G N 0.443 109.325 108.800 0.136 0.000 2.259 366 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.217 366 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.217 366 G C -0.023 174.954 174.900 0.130 0.000 1.001 366 G CA -0.136 45.081 45.100 0.196 0.000 0.627 366 G HN 0.671 nan 8.290 nan 0.000 0.501 367 Q N 1.281 121.063 119.800 -0.029 0.000 2.283 367 Q HA 0.471 4.811 4.340 -0.000 0.000 0.301 367 Q C 0.729 176.543 176.000 -0.310 0.000 1.063 367 Q CA 0.406 55.912 55.803 -0.494 0.000 0.952 367 Q CB 0.838 29.327 28.738 -0.415 0.000 1.166 367 Q HN 0.858 nan 8.270 nan 0.000 0.381 368 A N 3.759 126.373 122.820 -0.343 0.000 2.371 368 A HA 0.513 4.833 4.320 -0.000 0.000 0.257 368 A C -0.473 177.006 177.584 -0.175 0.000 1.089 368 A CA -0.428 51.491 52.037 -0.197 0.000 0.794 368 A CB 0.445 19.357 19.000 -0.147 0.000 1.029 368 A HN 0.700 nan 8.150 nan 0.000 0.488 369 L N 0.709 121.854 121.223 -0.129 0.000 2.330 369 L HA 0.744 5.084 4.340 -0.000 0.000 0.271 369 L C 0.450 177.270 176.870 -0.084 0.000 1.013 369 L CA -0.453 54.323 54.840 -0.107 0.000 0.816 369 L CB 2.267 44.268 42.059 -0.097 0.000 1.287 369 L HN 0.798 nan 8.230 nan 0.000 0.435 370 T N 0.499 115.010 114.554 -0.073 0.000 2.841 370 T HA 0.682 5.032 4.350 -0.000 0.000 0.296 370 T C -1.380 173.289 174.700 -0.051 0.000 1.166 370 T CA -0.478 61.586 62.100 -0.060 0.000 1.007 370 T CB 1.874 70.708 68.868 -0.057 0.000 1.253 370 T HN 0.414 nan 8.240 nan 0.000 0.511 371 V N 2.185 122.071 119.914 -0.046 0.000 2.667 371 V HA 0.773 4.893 4.120 -0.000 0.000 0.308 371 V C 0.075 176.146 176.094 -0.038 0.000 1.048 371 V CA -1.162 61.115 62.300 -0.038 0.000 0.928 371 V CB 1.230 33.033 31.823 -0.032 0.000 1.004 371 V HN 1.008 nan 8.190 nan 0.000 0.444 372 N N 2.446 121.127 118.700 -0.033 0.000 2.364 372 N HA 0.147 4.887 4.740 -0.000 0.000 0.264 372 N C 1.001 176.494 175.510 -0.029 0.000 1.263 372 N CA -0.028 53.004 53.050 -0.031 0.000 0.959 372 N CB 0.097 38.569 38.487 -0.026 0.000 1.204 372 N HN 0.827 nan 8.380 nan 0.000 0.550 373 E N -0.133 120.051 120.200 -0.027 0.000 2.267 373 E HA -0.237 4.113 4.350 -0.000 0.000 0.197 373 E C 0.259 176.847 176.600 -0.021 0.000 0.998 373 E CA 1.272 57.657 56.400 -0.026 0.000 0.830 373 E CB -0.406 29.281 29.700 -0.023 0.000 0.751 373 E HN 0.694 nan 8.360 nan 0.000 0.491 374 K N 0.128 120.517 120.400 -0.019 0.000 2.458 374 K HA 0.173 4.493 4.320 -0.000 0.000 0.194 374 K C 1.093 177.685 176.600 -0.015 0.000 1.024 374 K CA 0.419 56.697 56.287 -0.015 0.000 1.108 374 K CB 0.386 32.878 32.500 -0.013 0.000 0.846 374 K HN 0.327 nan 8.250 nan 0.000 0.518 375 G N 1.639 110.428 108.800 -0.018 0.000 2.199 375 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.254 375 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.254 375 G C -0.243 174.649 174.900 -0.013 0.000 0.982 375 G CA -0.038 45.053 45.100 -0.015 0.000 0.632 375 G HN 0.419 nan 8.290 nan 0.000 0.529 376 E N 1.252 121.443 120.200 -0.015 0.000 2.373 376 E HA 0.413 4.763 4.350 -0.000 0.000 0.263 376 E C -0.502 176.085 176.600 -0.021 0.000 1.073 376 E CA -0.524 55.867 56.400 -0.015 0.000 0.894 376 E CB 0.557 30.248 29.700 -0.015 0.000 1.008 376 E HN 0.248 nan 8.360 nan 0.000 0.420 377 D N 1.421 121.808 120.400 -0.021 0.000 2.390 377 D HA 0.159 4.799 4.640 -0.000 0.000 0.249 377 D C -0.566 175.712 176.300 -0.038 0.000 1.144 377 D CA 0.003 53.984 54.000 -0.032 0.000 0.880 377 D CB 1.010 41.791 40.800 -0.032 0.000 1.182 377 D HN 0.177 nan 8.370 nan 0.000 0.451 378 V N -0.260 119.626 119.914 -0.046 0.000 2.789 378 V HA 0.532 4.652 4.120 -0.000 0.000 0.311 378 V C -0.225 175.827 176.094 -0.070 0.000 1.073 378 V CA -0.973 61.296 62.300 -0.052 0.000 0.921 378 V CB 1.815 33.612 31.823 -0.044 0.000 1.009 378 V HN 0.214 nan 8.190 nan 0.000 0.426 379 V N 4.196 124.061 119.914 -0.081 0.000 2.715 379 V HA 0.190 4.310 4.120 -0.000 0.000 0.299 379 V C 0.553 176.579 176.094 -0.113 0.000 1.054 379 V CA -0.142 62.088 62.300 -0.116 0.000 1.077 379 V CB 1.350 33.094 31.823 -0.132 0.000 0.972 379 V HN 0.780 nan 8.190 nan 0.000 0.484 380 V N 7.905 127.735 119.914 -0.138 0.000 2.405 380 V HA 0.186 4.306 4.120 -0.000 0.000 0.264 380 V C -2.023 173.984 176.094 -0.144 0.000 1.048 380 V CA -1.403 60.826 62.300 -0.118 0.000 0.966 380 V CB 0.727 32.484 31.823 -0.110 0.000 1.015 380 V HN 0.804 nan 8.190 nan 0.000 0.477 381 P HA 0.282 nan 4.420 nan 0.000 0.271 381 P C 0.991 178.271 177.300 -0.033 0.000 1.216 381 P CA 0.799 63.857 63.100 -0.070 0.000 0.776 381 P CB 0.850 32.537 31.700 -0.023 0.000 0.881 382 G N 0.950 109.762 108.800 0.020 0.000 2.184 382 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.264 382 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.264 382 G C -0.374 174.644 174.900 0.198 0.000 0.975 382 G CA 0.174 45.372 45.100 0.162 0.000 0.642 382 G HN 0.605 nan 8.290 nan 0.000 0.536 383 L N 0.121 121.332 121.223 -0.022 0.000 2.362 383 L HA 0.911 5.251 4.340 -0.000 0.000 0.275 383 L C -0.794 175.946 176.870 -0.217 0.000 0.998 383 L CA -1.384 53.465 54.840 0.014 0.000 0.820 383 L CB 1.159 43.196 42.059 -0.037 0.000 1.270 383 L HN 0.049 nan 8.230 nan 0.000 0.415 384 F N 3.290 123.229 119.950 -0.018 0.000 2.629 384 F HA 0.909 5.436 4.527 -0.000 0.000 0.316 384 F C -0.056 175.726 175.800 -0.030 0.000 1.081 384 F CA -0.637 57.350 58.000 -0.021 0.000 0.954 384 F CB 2.278 41.272 39.000 -0.010 0.000 1.337 384 F HN 0.618 nan 8.300 nan 0.000 0.474 385 A N 1.043 123.955 122.820 0.153 0.000 2.547 385 A HA 0.850 5.170 4.320 -0.000 0.000 0.297 385 A C -1.604 176.013 177.584 0.055 0.000 1.056 385 A CA -0.740 51.337 52.037 0.067 0.000 0.688 385 A CB 1.587 20.589 19.000 0.004 0.000 1.282 385 A HN 1.096 nan 8.150 nan 0.000 0.400 386 V N -0.714 119.228 119.914 0.047 0.000 3.114 386 V HA 1.014 5.134 4.120 -0.000 0.000 0.308 386 V C 0.539 176.665 176.094 0.054 0.000 1.168 386 V CA 0.073 62.411 62.300 0.064 0.000 1.015 386 V CB 0.815 32.699 31.823 0.101 0.000 1.050 386 V HN 2.940 nan 8.190 nan 0.000 0.433 387 G N 1.491 110.345 108.800 0.090 0.000 2.542 387 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.235 387 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.235 387 G C 0.552 175.499 174.900 0.079 0.000 1.286 387 G CA 0.972 46.134 45.100 0.104 0.000 0.904 387 G HN 1.421 nan 8.290 nan 0.000 0.577 388 E N -0.734 119.499 120.200 0.054 0.000 2.077 388 E HA -0.114 4.236 4.350 -0.000 0.000 0.193 388 E C 2.574 179.085 176.600 -0.148 0.000 0.989 388 E CA 1.583 57.947 56.400 -0.060 0.000 0.800 388 E CB -0.155 29.446 29.700 -0.165 0.000 0.746 388 E HN 0.555 nan 8.360 nan 0.000 0.452 389 I N 0.909 121.418 120.570 -0.102 0.000 2.657 389 I HA -0.120 4.050 4.170 -0.000 0.000 0.261 389 I C 0.563 176.624 176.117 -0.095 0.000 1.212 389 I CA 0.647 61.885 61.300 -0.103 0.000 1.453 389 I CB -0.527 37.434 38.000 -0.066 0.000 1.092 389 I HN 0.110 nan 8.210 nan 0.000 0.452 390 A N -0.593 122.183 122.820 -0.074 0.000 2.286 390 A HA 0.496 4.816 4.320 -0.000 0.000 0.286 390 A C -0.321 177.201 177.584 -0.104 0.000 1.097 390 A CA -0.305 51.680 52.037 -0.087 0.000 0.821 390 A CB 0.669 19.618 19.000 -0.084 0.000 1.076 390 A HN 0.382 nan 8.150 nan 0.000 0.490 391 C N 3.043 122.260 119.300 -0.139 0.000 2.437 391 C HA 0.486 4.946 4.460 -0.000 0.000 0.307 391 C C 1.229 176.084 174.990 -0.226 0.000 1.093 391 C CA -0.403 58.520 59.018 -0.158 0.000 1.463 391 C CB -1.029 26.613 27.740 -0.163 0.000 1.926 391 C HN 0.657 nan 8.230 nan 0.000 0.420 392 V N 3.500 123.248 119.914 -0.277 0.000 2.323 392 V HA 0.031 4.151 4.120 -0.000 0.000 0.244 392 V C 1.388 177.315 176.094 -0.277 0.000 1.041 392 V CA 1.635 63.715 62.300 -0.366 0.000 1.025 392 V CB -0.429 31.002 31.823 -0.653 0.000 0.656 392 V HN 0.824 nan 8.190 nan 0.000 0.451 393 S N -0.120 115.449 115.700 -0.219 0.000 2.478 393 S HA 0.411 4.881 4.470 -0.000 0.000 0.312 393 S C 0.285 174.785 174.600 -0.167 0.000 1.094 393 S CA -0.299 57.783 58.200 -0.197 0.000 1.081 393 S CB 1.843 64.960 63.200 -0.137 0.000 1.007 393 S HN 0.256 nan 8.310 nan 0.000 0.475 394 V N 2.844 122.551 119.914 -0.346 0.000 3.647 394 V HA 0.381 4.501 4.120 -0.000 0.000 0.279 394 V C 0.961 176.838 176.094 -0.361 0.000 1.314 394 V CA 0.324 62.411 62.300 -0.355 0.000 1.125 394 V CB -0.813 30.793 31.823 -0.361 0.000 0.907 394 V HN 0.923 nan 8.190 nan 0.000 0.434 395 H N 0.475 119.574 119.070 0.048 0.000 3.046 395 H HA 0.431 4.987 4.556 -0.000 0.000 0.262 395 H C 1.918 177.282 175.328 0.059 0.000 1.044 395 H CA 0.297 56.373 56.048 0.046 0.000 1.209 395 H CB 0.673 30.467 29.762 0.053 0.000 1.507 395 H HN 0.471 nan 8.280 nan 0.000 0.507 396 G N 1.733 110.630 108.800 0.163 0.000 2.690 396 G HA2 -0.436 3.524 3.960 -0.000 0.000 0.334 396 G HA3 -0.436 3.524 3.960 -0.000 0.000 0.334 396 G C 1.307 176.300 174.900 0.156 0.000 1.250 396 G CA 1.919 47.121 45.100 0.170 0.000 0.994 396 G HN 0.600 nan 8.290 nan 0.000 0.549 397 A N 0.025 122.925 122.820 0.132 0.000 2.303 397 A HA 0.571 4.891 4.320 -0.000 0.000 0.217 397 A C 0.743 178.399 177.584 0.120 0.000 1.205 397 A CA 1.493 53.606 52.037 0.127 0.000 0.875 397 A CB 0.019 19.098 19.000 0.131 0.000 0.910 397 A HN 1.489 nan 8.150 nan 0.000 0.501 398 N N -0.578 118.189 118.700 0.110 0.000 2.537 398 N HA 0.240 4.980 4.740 -0.000 0.000 0.281 398 N C -0.940 174.613 175.510 0.071 0.000 1.097 398 N CA -0.458 52.643 53.050 0.086 0.000 0.964 398 N CB 1.070 39.600 38.487 0.071 0.000 1.588 398 N HN 0.241 nan 8.380 nan 0.000 0.511 399 R N 3.769 124.276 120.500 0.012 0.000 2.490 399 R HA 0.428 4.768 4.340 -0.000 0.000 0.278 399 R C -0.476 175.797 176.300 -0.046 0.000 1.069 399 R CA -0.414 55.637 56.100 -0.082 0.000 1.080 399 R CB 0.563 30.549 30.300 -0.523 0.000 1.030 399 R HN 0.549 nan 8.270 nan 0.000 0.491 400 L N 2.638 123.876 121.223 0.025 0.000 2.395 400 L HA 0.298 4.638 4.340 -0.000 0.000 0.269 400 L C 1.046 177.962 176.870 0.077 0.000 1.133 400 L CA -0.525 54.356 54.840 0.068 0.000 0.812 400 L CB 1.150 43.294 42.059 0.142 0.000 1.125 400 L HN 0.841 nan 8.230 nan 0.000 0.452 401 G N 0.368 109.278 108.800 0.183 0.000 2.353 401 G HA2 0.329 4.289 3.960 -0.000 0.000 0.239 401 G HA3 0.329 4.289 3.960 -0.000 0.000 0.239 401 G C 0.968 176.001 174.900 0.222 0.000 1.295 401 G CA 0.396 45.740 45.100 0.407 0.000 0.884 401 G HN 1.064 nan 8.290 nan 0.000 0.537 402 G N 2.072 110.899 108.800 0.045 0.000 2.184 402 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.264 402 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.264 402 G C 1.199 176.083 174.900 -0.027 0.000 0.975 402 G CA 0.731 45.740 45.100 -0.151 0.000 0.642 402 G HN 0.680 nan 8.290 nan 0.000 0.536 403 N N 0.246 118.972 118.700 0.043 0.000 2.416 403 N HA 0.115 4.855 4.740 -0.000 0.000 0.177 403 N C 2.200 177.798 175.510 0.147 0.000 1.036 403 N CA 1.304 54.442 53.050 0.145 0.000 0.901 403 N CB -0.117 38.509 38.487 0.233 0.000 0.976 403 N HN 0.403 nan 8.380 nan 0.000 0.444 404 S N 0.375 116.066 115.700 -0.015 0.000 2.345 404 S HA 0.054 4.524 4.470 -0.000 0.000 0.220 404 S C 1.847 176.514 174.600 0.112 0.000 1.031 404 S CA 0.760 58.956 58.200 -0.008 0.000 0.996 404 S CB -0.202 62.920 63.200 -0.129 0.000 0.882 404 S HN 0.223 nan 8.310 nan 0.000 0.445 405 L N 0.893 122.161 121.223 0.075 0.000 2.083 405 L HA -0.085 4.255 4.340 -0.000 0.000 0.209 405 L C 2.505 179.431 176.870 0.093 0.000 1.083 405 L CA 0.889 55.775 54.840 0.077 0.000 0.752 405 L CB -0.602 41.486 42.059 0.048 0.000 0.899 405 L HN 0.352 nan 8.230 nan 0.000 0.433 406 L N 0.489 121.771 121.223 0.099 0.000 2.012 406 L HA -0.266 4.074 4.340 -0.000 0.000 0.210 406 L C 2.227 179.180 176.870 0.139 0.000 1.073 406 L CA 2.056 56.958 54.840 0.102 0.000 0.748 406 L CB -0.635 41.501 42.059 0.129 0.000 0.891 406 L HN 0.283 nan 8.230 nan 0.000 0.431 407 D N -0.481 120.064 120.400 0.242 0.000 2.108 407 D HA -0.245 4.395 4.640 -0.000 0.000 0.190 407 D C 2.191 178.690 176.300 0.332 0.000 0.995 407 D CA 2.275 56.512 54.000 0.396 0.000 0.834 407 D CB -0.380 40.697 40.800 0.461 0.000 0.967 407 D HN 0.425 nan 8.370 nan 0.000 0.446 408 L N -0.043 121.320 121.223 0.233 0.000 1.997 408 L HA -0.275 4.065 4.340 -0.000 0.000 0.227 408 L C 2.838 179.784 176.870 0.126 0.000 1.087 408 L CA 1.709 56.648 54.840 0.166 0.000 0.797 408 L CB -1.087 41.040 42.059 0.113 0.000 0.902 408 L HN 0.056 nan 8.230 nan 0.000 0.441 409 V N -0.719 119.245 119.914 0.082 0.000 2.295 409 V HA -0.231 3.889 4.120 -0.000 0.000 0.246 409 V C 2.424 178.520 176.094 0.004 0.000 1.049 409 V CA 1.641 63.962 62.300 0.035 0.000 1.024 409 V CB -0.279 31.554 31.823 0.017 0.000 0.648 409 V HN 0.212 nan 8.190 nan 0.000 0.447 410 V N -0.699 119.187 119.914 -0.047 0.000 2.295 410 V HA -0.230 3.890 4.120 -0.000 0.000 0.246 410 V C 2.149 178.126 176.094 -0.196 0.000 1.049 410 V CA 2.234 64.415 62.300 -0.199 0.000 1.024 410 V CB -0.699 30.878 31.823 -0.410 0.000 0.648 410 V HN 0.475 nan 8.190 nan 0.000 0.447 411 F N 0.828 120.848 119.950 0.117 0.000 2.416 411 F HA 0.201 4.728 4.527 0.000 0.000 0.296 411 F C 2.282 178.120 175.800 0.065 0.000 1.099 411 F CA 0.820 58.875 58.000 0.092 0.000 1.427 411 F CB -1.140 37.898 39.000 0.064 0.000 1.079 411 F HN 0.154 nan 8.300 nan 0.000 0.536 412 G N 0.096 109.008 108.800 0.188 0.000 2.453 412 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.215 412 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.215 412 G C 1.820 176.756 174.900 0.059 0.000 1.201 412 G CA 0.727 45.888 45.100 0.102 0.000 0.784 412 G HN 0.210 nan 8.290 nan 0.000 0.545 413 R N 0.517 121.038 120.500 0.035 0.000 2.096 413 R HA -0.086 4.254 4.340 -0.000 0.000 0.240 413 R C 2.897 179.206 176.300 0.014 0.000 1.139 413 R CA 1.687 57.788 56.100 0.003 0.000 0.952 413 R CB -0.465 29.823 30.300 -0.019 0.000 0.854 413 R HN 0.301 nan 8.270 nan 0.000 0.436 414 A N 0.564 123.425 122.820 0.068 0.000 1.908 414 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 414 A C 2.348 180.013 177.584 0.136 0.000 1.181 414 A CA 1.818 53.930 52.037 0.124 0.000 0.627 414 A CB -0.790 18.321 19.000 0.185 0.000 0.818 414 A HN 0.569 nan 8.150 nan 0.000 0.445 415 A N -0.621 122.279 122.820 0.133 0.000 1.933 415 A HA 0.109 4.429 4.320 -0.000 0.000 0.218 415 A C 2.376 179.970 177.584 0.015 0.000 1.175 415 A CA 2.002 54.107 52.037 0.114 0.000 0.628 415 A CB -1.265 17.792 19.000 0.095 0.000 0.814 415 A HN 0.705 nan 8.150 nan 0.000 0.444 416 G N -0.529 108.257 108.800 -0.023 0.000 2.394 416 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.214 416 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.214 416 G C 1.530 176.382 174.900 -0.081 0.000 1.176 416 G CA 0.784 45.845 45.100 -0.066 0.000 0.786 416 G HN 0.396 nan 8.290 nan 0.000 0.533 417 L N -0.073 121.078 121.223 -0.120 0.000 2.129 417 L HA -0.100 4.239 4.340 -0.000 0.000 0.212 417 L C 1.975 178.643 176.870 -0.337 0.000 1.087 417 L CA 0.951 55.642 54.840 -0.247 0.000 0.757 417 L CB -0.140 41.711 42.059 -0.347 0.000 0.896 417 L HN 0.303 nan 8.230 nan 0.000 0.434 418 H N -1.980 117.101 119.070 0.019 0.000 2.592 418 H HA 0.099 4.655 4.556 -0.000 0.000 0.279 418 H C 1.602 176.949 175.328 0.033 0.000 1.089 418 H CA -0.093 55.975 56.048 0.032 0.000 1.150 418 H CB 0.774 30.565 29.762 0.048 0.000 1.575 418 H HN 0.196 nan 8.280 nan 0.000 0.547 419 L N 0.772 122.025 121.223 0.049 0.000 2.072 419 L HA -0.100 4.240 4.340 -0.000 0.000 0.205 419 L C 2.534 179.413 176.870 0.015 0.000 1.079 419 L CA 1.603 56.423 54.840 -0.034 0.000 0.752 419 L CB -0.164 41.796 42.059 -0.164 0.000 0.906 419 L HN 0.148 nan 8.230 nan 0.000 0.436 420 Q N -0.665 119.146 119.800 0.019 0.000 2.084 420 Q HA -0.242 4.098 4.340 -0.000 0.000 0.202 420 Q C 2.032 178.068 176.000 0.060 0.000 0.978 420 Q CA 1.933 57.753 55.803 0.029 0.000 0.844 420 Q CB 0.020 28.768 28.738 0.017 0.000 0.898 420 Q HN 0.610 nan 8.270 nan 0.000 0.426 421 E N -0.495 119.757 120.200 0.088 0.000 2.110 421 E HA -0.135 4.215 4.350 -0.000 0.000 0.193 421 E C 2.083 178.746 176.600 0.104 0.000 0.988 421 E CA 1.246 57.703 56.400 0.097 0.000 0.804 421 E CB 0.089 29.864 29.700 0.126 0.000 0.745 421 E HN 0.195 nan 8.360 nan 0.000 0.458 422 S N 0.710 116.501 115.700 0.151 0.000 2.382 422 S HA -0.128 4.342 4.470 -0.000 0.000 0.228 422 S C 1.998 176.711 174.600 0.189 0.000 1.027 422 S CA 0.773 59.095 58.200 0.203 0.000 0.991 422 S CB -0.106 63.344 63.200 0.417 0.000 0.823 422 S HN 0.194 nan 8.310 nan 0.000 0.469 423 I N 1.371 122.036 120.570 0.159 0.000 2.286 423 I HA -0.160 4.010 4.170 -0.000 0.000 0.245 423 I C 2.614 178.779 176.117 0.081 0.000 1.104 423 I CA 1.007 62.383 61.300 0.125 0.000 1.397 423 I CB -0.359 37.691 38.000 0.084 0.000 1.072 423 I HN 0.271 nan 8.210 nan 0.000 0.417 424 A N -0.116 122.742 122.820 0.065 0.000 1.972 424 A HA -0.259 4.061 4.320 -0.000 0.000 0.219 424 A C 2.302 179.910 177.584 0.041 0.000 1.169 424 A CA 1.782 53.847 52.037 0.046 0.000 0.635 424 A CB -0.588 18.435 19.000 0.039 0.000 0.810 424 A HN 0.509 nan 8.150 nan 0.000 0.446 425 E N 0.179 120.408 120.200 0.047 0.000 2.150 425 E HA -0.248 4.102 4.350 -0.000 0.000 0.193 425 E C 2.078 178.693 176.600 0.025 0.000 0.985 425 E CA 1.338 57.757 56.400 0.032 0.000 0.814 425 E CB -0.152 29.566 29.700 0.029 0.000 0.752 425 E HN 0.913 nan 8.360 nan 0.000 0.466 426 Q N -0.115 119.708 119.800 0.038 0.000 2.425 426 Q HA 0.155 4.495 4.340 -0.000 0.000 0.204 426 Q C 0.766 176.782 176.000 0.027 0.000 0.933 426 Q CA 0.514 56.333 55.803 0.026 0.000 0.939 426 Q CB 0.317 29.077 28.738 0.037 0.000 1.044 426 Q HN 0.169 nan 8.270 nan 0.000 0.513 427 G N 1.122 109.941 108.800 0.031 0.000 2.880 427 G HA2 -0.131 3.828 3.960 -0.000 0.000 0.617 427 G HA3 -0.131 3.828 3.960 -0.000 0.000 0.617 427 G C -0.204 174.715 174.900 0.032 0.000 1.493 427 G CA -0.440 44.676 45.100 0.026 0.000 0.916 427 G HN 0.809 nan 8.290 nan 0.000 0.553 428 A N 0.187 123.023 122.820 0.027 0.000 2.498 428 A HA 0.556 4.876 4.320 -0.000 0.000 0.239 428 A C 0.783 178.385 177.584 0.030 0.000 1.068 428 A CA 0.475 52.529 52.037 0.029 0.000 0.766 428 A CB 0.064 19.077 19.000 0.022 0.000 1.003 428 A HN 1.321 nan 8.150 nan 0.000 0.497 429 L N 2.383 123.628 121.223 0.037 0.000 2.309 429 L HA 0.475 4.815 4.340 -0.000 0.000 0.282 429 L C 0.956 177.848 176.870 0.037 0.000 1.036 429 L CA -0.657 54.206 54.840 0.038 0.000 0.806 429 L CB 1.185 43.276 42.059 0.052 0.000 1.220 429 L HN 0.868 nan 8.230 nan 0.000 0.429 430 R N 1.125 121.643 120.500 0.031 0.000 2.734 430 R HA 0.035 4.375 4.340 -0.000 0.000 0.266 430 R C -0.469 175.857 176.300 0.042 0.000 1.044 430 R CA -0.494 55.623 56.100 0.030 0.000 1.128 430 R CB 0.521 30.834 30.300 0.021 0.000 1.010 430 R HN 0.522 nan 8.270 nan 0.000 0.461 431 D N 1.139 121.565 120.400 0.043 0.000 2.423 431 D HA 0.079 4.719 4.640 -0.000 0.000 0.238 431 D C -0.466 175.870 176.300 0.059 0.000 1.142 431 D CA 0.425 54.463 54.000 0.062 0.000 0.884 431 D CB 0.993 41.826 40.800 0.054 0.000 1.199 431 D HN 0.608 nan 8.370 nan 0.000 0.438 432 A N 1.761 124.634 122.820 0.088 0.000 2.440 432 A HA 0.369 4.689 4.320 -0.000 0.000 0.251 432 A C 0.733 178.318 177.584 0.003 0.000 1.089 432 A CA -0.349 51.703 52.037 0.025 0.000 0.779 432 A CB 0.110 19.091 19.000 -0.031 0.000 1.022 432 A HN 0.511 nan 8.150 nan 0.000 0.492 433 S N 1.085 116.772 115.700 -0.022 0.000 2.655 433 S HA 0.191 4.661 4.470 -0.000 0.000 0.265 433 S C 0.865 175.439 174.600 -0.043 0.000 1.240 433 S CA 0.299 58.488 58.200 -0.019 0.000 0.986 433 S CB 0.871 64.062 63.200 -0.016 0.000 0.985 433 S HN 0.788 nan 8.310 nan 0.000 0.562 434 E N 0.059 120.242 120.200 -0.028 0.000 2.274 434 E HA -0.106 4.244 4.350 -0.000 0.000 0.194 434 E C 1.721 178.294 176.600 -0.045 0.000 0.996 434 E CA 1.101 57.480 56.400 -0.035 0.000 0.840 434 E CB -0.156 29.536 29.700 -0.013 0.000 0.772 434 E HN 0.817 nan 8.360 nan 0.000 0.491 435 S N -0.161 115.516 115.700 -0.038 0.000 2.528 435 S HA -0.034 4.436 4.470 -0.000 0.000 0.219 435 S C 1.225 175.795 174.600 -0.050 0.000 0.985 435 S CA 0.356 58.534 58.200 -0.037 0.000 0.914 435 S CB 0.171 63.356 63.200 -0.024 0.000 0.776 435 S HN 0.134 nan 8.310 nan 0.000 0.526 436 D N 2.072 122.432 120.400 -0.066 0.000 2.123 436 D HA -0.002 4.638 4.640 -0.000 0.000 0.200 436 D C 2.031 178.253 176.300 -0.131 0.000 0.976 436 D CA 0.908 54.858 54.000 -0.084 0.000 0.831 436 D CB -0.313 40.436 40.800 -0.085 0.000 0.974 436 D HN 0.345 nan 8.370 nan 0.000 0.469 437 V N 0.839 120.642 119.914 -0.185 0.000 2.453 437 V HA -0.155 3.965 4.120 -0.000 0.000 0.247 437 V C 2.364 178.386 176.094 -0.121 0.000 1.048 437 V CA 1.179 63.328 62.300 -0.251 0.000 1.049 437 V CB -0.329 31.303 31.823 -0.319 0.000 0.672 437 V HN 0.041 nan 8.190 nan 0.000 0.457 438 E N 1.362 121.515 120.200 -0.077 0.000 2.085 438 E HA -0.213 4.137 4.350 -0.000 0.000 0.194 438 E C 2.169 178.753 176.600 -0.026 0.000 0.994 438 E CA 1.789 58.167 56.400 -0.037 0.000 0.801 438 E CB -0.567 29.116 29.700 -0.028 0.000 0.743 438 E HN 0.505 nan 8.360 nan 0.000 0.453 439 A N -0.164 122.636 122.820 -0.033 0.000 1.978 439 A HA -0.178 4.142 4.320 -0.000 0.000 0.220 439 A C 2.311 179.890 177.584 -0.008 0.000 1.170 439 A CA 1.922 53.947 52.037 -0.020 0.000 0.636 439 A CB -0.602 18.383 19.000 -0.025 0.000 0.810 439 A HN 0.311 nan 8.150 nan 0.000 0.448 440 S N -0.083 115.607 115.700 -0.016 0.000 2.423 440 S HA 0.013 4.483 4.470 -0.000 0.000 0.231 440 S C 1.422 176.045 174.600 0.037 0.000 1.014 440 S CA 1.130 59.334 58.200 0.008 0.000 0.965 440 S CB -0.289 62.907 63.200 -0.006 0.000 0.785 440 S HN 0.536 nan 8.310 nan 0.000 0.495 441 L N 0.986 122.227 121.223 0.031 0.000 2.592 441 L HA 0.135 4.475 4.340 -0.000 0.000 0.227 441 L C 1.485 178.387 176.870 0.054 0.000 1.127 441 L CA 0.095 54.966 54.840 0.052 0.000 0.884 441 L CB -0.409 41.676 42.059 0.043 0.000 1.065 441 L HN 0.064 nan 8.230 nan 0.000 0.457 442 D N 0.984 121.407 120.400 0.038 0.000 2.133 442 D HA -0.241 4.399 4.640 -0.000 0.000 0.192 442 D C 2.227 178.557 176.300 0.051 0.000 1.001 442 D CA 1.335 55.354 54.000 0.030 0.000 0.844 442 D CB 0.046 40.854 40.800 0.014 0.000 0.944 442 D HN 0.165 nan 8.370 nan 0.000 0.447 443 R N -0.178 120.371 120.500 0.081 0.000 2.081 443 R HA -0.113 4.227 4.340 -0.000 0.000 0.235 443 R C 2.279 178.725 176.300 0.244 0.000 1.131 443 R CA 0.879 57.060 56.100 0.136 0.000 0.960 443 R CB -0.327 30.069 30.300 0.160 0.000 0.856 443 R HN 0.199 nan 8.270 nan 0.000 0.436 444 L N 1.145 122.490 121.223 0.204 0.000 2.027 444 L HA -0.093 4.247 4.340 -0.000 0.000 0.206 444 L C 1.533 178.514 176.870 0.184 0.000 1.074 444 L CA 1.796 56.765 54.840 0.215 0.000 0.745 444 L CB -0.696 41.438 42.059 0.125 0.000 0.898 444 L HN 0.155 nan 8.230 nan 0.000 0.433 445 N N 0.233 118.999 118.700 0.110 0.000 2.137 445 N HA -0.256 4.484 4.740 -0.000 0.000 0.190 445 N C 2.000 177.543 175.510 0.055 0.000 1.017 445 N CA 1.536 54.628 53.050 0.069 0.000 0.859 445 N CB -0.399 38.112 38.487 0.039 0.000 1.002 445 N HN 0.422 nan 8.380 nan 0.000 0.428 446 R N -0.170 120.349 120.500 0.032 0.000 2.097 446 R HA -0.171 4.169 4.340 -0.000 0.000 0.236 446 R C 2.095 178.354 176.300 -0.069 0.000 1.135 446 R CA 1.842 57.899 56.100 -0.071 0.000 0.934 446 R CB -0.378 29.815 30.300 -0.178 0.000 0.846 446 R HN 0.275 nan 8.270 nan 0.000 0.431 447 W N 1.205 122.494 121.300 -0.020 0.000 2.335 447 W HA -0.150 4.510 4.660 0.000 0.000 0.311 447 W C 2.162 178.665 176.519 -0.026 0.000 1.213 447 W CA 0.881 58.210 57.345 -0.027 0.000 1.274 447 W CB -0.531 28.907 29.460 -0.036 0.000 1.148 447 W HN 0.232 nan 8.180 nan 0.000 0.498 448 N N 0.052 118.880 118.700 0.215 0.000 2.205 448 N HA -0.167 4.573 4.740 -0.000 0.000 0.186 448 N C 1.127 176.677 175.510 0.067 0.000 1.015 448 N CA 1.322 54.440 53.050 0.113 0.000 0.862 448 N CB -0.686 37.847 38.487 0.078 0.000 0.986 448 N HN 0.303 nan 8.380 nan 0.000 0.429 449 N N 0.608 119.334 118.700 0.044 0.000 2.424 449 N HA -0.055 4.685 4.740 -0.000 0.000 0.178 449 N C 0.097 175.606 175.510 -0.003 0.000 1.060 449 N CA 0.148 53.205 53.050 0.012 0.000 0.901 449 N CB -0.099 38.386 38.487 -0.005 0.000 0.979 449 N HN 0.163 nan 8.380 nan 0.000 0.451 450 N N 1.998 120.694 118.700 -0.008 0.000 2.602 450 N HA 0.082 4.822 4.740 -0.000 0.000 0.238 450 N C 0.645 176.158 175.510 0.005 0.000 1.084 450 N CA -0.093 52.936 53.050 -0.034 0.000 0.952 450 N CB 0.474 38.890 38.487 -0.119 0.000 1.244 450 N HN -0.049 nan 8.380 nan 0.000 0.512 451 R N 2.007 122.509 120.500 0.003 0.000 2.112 451 R HA 0.150 4.490 4.340 -0.000 0.000 0.216 451 R C 0.495 176.799 176.300 0.007 0.000 1.080 451 R CA 0.707 56.815 56.100 0.014 0.000 0.996 451 R CB -0.024 30.281 30.300 0.009 0.000 0.902 451 R HN 0.496 nan 8.270 nan 0.000 0.449 452 N N 0.262 118.958 118.700 -0.007 0.000 2.236 452 N HA 0.063 4.803 4.740 -0.000 0.000 0.196 452 N C 0.820 176.321 175.510 -0.016 0.000 1.114 452 N CA 0.239 53.284 53.050 -0.009 0.000 0.859 452 N CB 0.604 39.084 38.487 -0.012 0.000 0.982 452 N HN 0.134 nan 8.380 nan 0.000 0.493 453 G N 0.303 109.086 108.800 -0.027 0.000 2.468 453 G HA2 0.080 4.040 3.960 -0.000 0.000 0.264 453 G HA3 0.080 4.040 3.960 -0.000 0.000 0.264 453 G C 0.113 175.000 174.900 -0.022 0.000 1.460 453 G CA -0.357 44.718 45.100 -0.042 0.000 1.060 453 G HN 0.098 nan 8.290 nan 0.000 0.543 454 E N -0.081 120.101 120.200 -0.029 0.000 2.374 454 E HA 0.117 4.467 4.350 -0.000 0.000 0.260 454 E C -0.821 175.793 176.600 0.024 0.000 1.101 454 E CA -0.410 55.987 56.400 -0.006 0.000 0.907 454 E CB 1.033 30.725 29.700 -0.014 0.000 1.014 454 E HN 0.364 nan 8.360 nan 0.000 0.427 455 D N 2.358 122.775 120.400 0.030 0.000 2.371 455 D HA 0.013 4.653 4.640 -0.000 0.000 0.256 455 D C -1.555 174.783 176.300 0.063 0.000 1.193 455 D CA -1.916 52.112 54.000 0.046 0.000 0.881 455 D CB 0.944 41.762 40.800 0.030 0.000 1.143 455 D HN 0.082 nan 8.370 nan 0.000 0.473 456 P HA -0.111 nan 4.420 nan 0.000 0.222 456 P C 1.549 178.887 177.300 0.064 0.000 1.153 456 P CA 0.258 63.433 63.100 0.125 0.000 0.798 456 P CB 0.332 32.150 31.700 0.196 0.000 0.796 457 V N 1.346 121.284 119.914 0.040 0.000 2.255 457 V HA -0.287 3.833 4.120 -0.000 0.000 0.247 457 V C 2.823 178.930 176.094 0.021 0.000 1.051 457 V CA 2.455 64.767 62.300 0.020 0.000 1.018 457 V CB -1.759 30.072 31.823 0.013 0.000 0.641 457 V HN 0.122 nan 8.190 nan 0.000 0.445 458 A N 0.081 122.915 122.820 0.024 0.000 1.851 458 A HA -0.236 4.084 4.320 -0.000 0.000 0.216 458 A C 2.184 179.779 177.584 0.019 0.000 1.195 458 A CA 2.326 54.374 52.037 0.020 0.000 0.622 458 A CB -0.708 18.303 19.000 0.019 0.000 0.831 458 A HN 0.502 nan 8.150 nan 0.000 0.444 459 I N -0.611 119.975 120.570 0.027 0.000 2.145 459 I HA -0.359 3.811 4.170 -0.000 0.000 0.244 459 I C 2.762 178.890 176.117 0.018 0.000 1.075 459 I CA 2.133 63.449 61.300 0.027 0.000 1.332 459 I CB -0.417 37.611 38.000 0.045 0.000 1.033 459 I HN 0.487 nan 8.210 nan 0.000 0.410 460 R N 1.709 122.221 120.500 0.020 0.000 2.073 460 R HA -0.205 4.135 4.340 -0.000 0.000 0.234 460 R C 2.240 178.535 176.300 -0.009 0.000 1.134 460 R CA 1.732 57.834 56.100 0.004 0.000 0.952 460 R CB -0.161 30.142 30.300 0.005 0.000 0.850 460 R HN 0.299 nan 8.270 nan 0.000 0.433 461 K N 0.103 120.502 120.400 -0.002 0.000 2.097 461 K HA -0.066 4.254 4.320 -0.000 0.000 0.206 461 K C 2.193 178.781 176.600 -0.020 0.000 1.049 461 K CA 1.261 57.544 56.287 -0.007 0.000 0.933 461 K CB -0.153 32.349 32.500 0.003 0.000 0.717 461 K HN 0.282 nan 8.250 nan 0.000 0.442 462 A N 1.887 124.700 122.820 -0.012 0.000 1.883 462 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 462 A C 2.153 179.719 177.584 -0.029 0.000 1.186 462 A CA 1.282 53.310 52.037 -0.015 0.000 0.624 462 A CB -0.666 18.335 19.000 0.001 0.000 0.822 462 A HN 0.330 nan 8.150 nan 0.000 0.444 463 L N -0.780 120.425 121.223 -0.029 0.000 2.017 463 L HA -0.269 4.071 4.340 -0.000 0.000 0.208 463 L C 2.689 179.503 176.870 -0.093 0.000 1.073 463 L CA 2.146 56.957 54.840 -0.048 0.000 0.745 463 L CB -0.408 41.624 42.059 -0.045 0.000 0.894 463 L HN 0.486 nan 8.230 nan 0.000 0.432 464 Q N -0.353 119.390 119.800 -0.095 0.000 2.079 464 Q HA -0.285 4.055 4.340 -0.000 0.000 0.200 464 Q C 2.038 177.971 176.000 -0.112 0.000 0.974 464 Q CA 1.915 57.647 55.803 -0.119 0.000 0.840 464 Q CB -0.185 28.513 28.738 -0.067 0.000 0.898 464 Q HN 0.612 nan 8.270 nan 0.000 0.430 465 E N 0.354 120.481 120.200 -0.121 0.000 2.049 465 E HA -0.277 4.073 4.350 -0.000 0.000 0.198 465 E C 2.095 178.538 176.600 -0.263 0.000 1.007 465 E CA 1.527 57.784 56.400 -0.237 0.000 0.809 465 E CB -0.330 29.250 29.700 -0.199 0.000 0.749 465 E HN 0.421 nan 8.360 nan 0.000 0.450 466 C N 0.574 119.806 119.300 -0.113 0.000 2.393 466 C HA -0.177 4.283 4.460 -0.000 0.000 0.276 466 C C 2.677 177.716 174.990 0.082 0.000 1.215 466 C CA 1.394 60.408 59.018 -0.007 0.000 1.743 466 C CB -0.889 26.875 27.740 0.041 0.000 2.044 466 C HN 0.578 nan 8.230 nan 0.000 0.464 467 M N 0.041 119.652 119.600 0.019 0.000 2.229 467 M HA -0.095 4.385 4.480 -0.000 0.000 0.264 467 M C 2.068 178.505 176.300 0.228 0.000 1.063 467 M CA 1.548 56.877 55.300 0.048 0.000 1.114 467 M CB -1.647 30.626 32.600 -0.545 0.000 1.387 467 M HN 0.502 nan 8.290 nan 0.000 0.420 468 Q N 0.072 119.966 119.800 0.157 0.000 2.046 468 Q HA -0.125 4.215 4.340 -0.000 0.000 0.200 468 Q C 1.820 177.991 176.000 0.285 0.000 0.975 468 Q CA 1.910 57.883 55.803 0.282 0.000 0.836 468 Q CB -0.283 28.540 28.738 0.142 0.000 0.896 468 Q HN 0.666 nan 8.270 nan 0.000 0.428 469 H N -1.344 117.790 119.070 0.106 0.000 2.436 469 H HA 0.115 4.671 4.556 -0.000 0.000 0.294 469 H C 1.051 176.368 175.328 -0.018 0.000 1.048 469 H CA 0.675 56.750 56.048 0.044 0.000 1.353 469 H CB 0.433 30.213 29.762 0.029 0.000 1.414 469 H HN 0.251 nan 8.280 nan 0.000 0.536 470 N N -0.070 118.663 118.700 0.056 0.000 2.322 470 N HA 0.009 4.749 4.740 -0.000 0.000 0.181 470 N C -0.258 174.891 175.510 -0.602 0.000 1.088 470 N CA 0.517 53.387 53.050 -0.299 0.000 0.885 470 N CB 0.681 38.894 38.487 -0.456 0.000 1.013 470 N HN 0.222 nan 8.380 nan 0.000 0.472 471 F N -0.152 119.874 119.950 0.128 0.000 2.810 471 F HA 0.351 4.878 4.527 -0.000 0.000 0.353 471 F C 1.020 176.962 175.800 0.237 0.000 1.227 471 F CA -0.521 57.579 58.000 0.167 0.000 1.210 471 F CB 0.229 39.321 39.000 0.152 0.000 1.039 471 F HN -0.238 nan 8.300 nan 0.000 0.509 472 S N -0.377 115.433 115.700 0.183 0.000 2.477 472 S HA 0.232 4.702 4.470 -0.000 0.000 0.261 472 S C 1.811 176.151 174.600 -0.432 0.000 1.197 472 S CA -0.089 58.038 58.200 -0.123 0.000 1.015 472 S CB 0.480 63.609 63.200 -0.117 0.000 1.077 472 S HN -0.020 nan 8.310 nan 0.000 0.505 473 V N 0.368 119.794 119.914 -0.813 0.000 2.252 473 V HA -0.086 4.034 4.120 -0.000 0.000 0.249 473 V C 0.602 176.313 176.094 -0.638 0.000 1.056 473 V CA 1.616 63.426 62.300 -0.818 0.000 1.022 473 V CB -0.797 30.540 31.823 -0.809 0.000 0.641 473 V HN 0.562 nan 8.190 nan 0.000 0.445 474 F N -0.661 119.108 119.950 -0.302 0.000 2.450 474 F HA 0.694 5.221 4.527 0.000 0.000 0.332 474 F C 0.452 175.998 175.800 -0.424 0.000 1.093 474 F CA -0.715 57.034 58.000 -0.418 0.000 1.003 474 F CB 1.227 39.936 39.000 -0.486 0.000 1.151 474 F HN -0.118 nan 8.300 nan 0.000 0.474 475 R N 1.124 121.434 120.500 -0.317 0.000 2.808 475 R HA 0.611 4.951 4.340 -0.000 0.000 0.272 475 R C -1.325 174.816 176.300 -0.264 0.000 0.995 475 R CA -1.171 54.784 56.100 -0.241 0.000 0.917 475 R CB 2.959 33.191 30.300 -0.112 0.000 1.217 475 R HN 0.781 nan 8.270 nan 0.000 0.471 476 E N -0.466 119.655 120.200 -0.132 0.000 2.408 476 E HA 0.344 4.694 4.350 -0.000 0.000 0.275 476 E C 0.160 176.767 176.600 0.013 0.000 0.935 476 E CA -0.981 55.410 56.400 -0.015 0.000 0.775 476 E CB 1.624 31.369 29.700 0.075 0.000 1.277 476 E HN 0.501 nan 8.360 nan 0.000 0.455 477 G N 1.999 110.848 108.800 0.082 0.000 2.574 477 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.220 477 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.220 477 G C 0.758 175.691 174.900 0.055 0.000 1.173 477 G CA 1.609 46.768 45.100 0.099 0.000 0.772 477 G HN 0.637 nan 8.290 nan 0.000 0.585 478 D N 0.744 121.170 120.400 0.043 0.000 2.097 478 D HA 0.014 4.654 4.640 -0.000 0.000 0.195 478 D C 2.841 179.137 176.300 -0.007 0.000 0.989 478 D CA 1.386 55.401 54.000 0.026 0.000 0.827 478 D CB -0.603 40.213 40.800 0.027 0.000 0.966 478 D HN 0.322 nan 8.370 nan 0.000 0.456 479 A N 0.606 123.400 122.820 -0.042 0.000 1.865 479 A HA -0.226 4.094 4.320 -0.000 0.000 0.217 479 A C 2.242 179.703 177.584 -0.205 0.000 1.191 479 A CA 1.886 53.855 52.037 -0.114 0.000 0.623 479 A CB -0.641 18.269 19.000 -0.150 0.000 0.826 479 A HN 0.184 nan 8.150 nan 0.000 0.444 480 M N -0.800 118.664 119.600 -0.227 0.000 2.175 480 M HA -0.073 4.407 4.480 -0.000 0.000 0.264 480 M C 2.482 178.806 176.300 0.040 0.000 1.063 480 M CA 1.293 56.449 55.300 -0.240 0.000 1.119 480 M CB -0.420 32.143 32.600 -0.062 0.000 1.377 480 M HN 0.479 nan 8.290 nan 0.000 0.415 481 A N 0.355 123.204 122.820 0.049 0.000 1.968 481 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 481 A C 2.140 179.769 177.584 0.076 0.000 1.169 481 A CA 1.535 53.622 52.037 0.082 0.000 0.638 481 A CB -0.366 18.680 19.000 0.076 0.000 0.812 481 A HN 0.363 nan 8.150 nan 0.000 0.446 482 K N -0.735 119.692 120.400 0.046 0.000 2.076 482 K HA 0.012 4.332 4.320 -0.000 0.000 0.204 482 K C 2.110 178.753 176.600 0.072 0.000 1.051 482 K CA 0.919 57.236 56.287 0.050 0.000 0.949 482 K CB -0.404 32.114 32.500 0.030 0.000 0.726 482 K HN 0.413 nan 8.250 nan 0.000 0.443 483 G N 1.432 110.269 108.800 0.060 0.000 2.476 483 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.218 483 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.218 483 G C 1.374 176.421 174.900 0.245 0.000 1.164 483 G CA 0.930 46.123 45.100 0.155 0.000 0.768 483 G HN 0.229 nan 8.290 nan 0.000 0.560 484 L N 0.525 121.905 121.223 0.262 0.000 2.079 484 L HA -0.039 4.301 4.340 -0.000 0.000 0.210 484 L C 2.595 179.557 176.870 0.153 0.000 1.081 484 L CA 1.953 56.899 54.840 0.177 0.000 0.752 484 L CB -0.353 41.784 42.059 0.130 0.000 0.896 484 L HN 0.110 nan 8.230 nan 0.000 0.433 485 E N -0.356 119.921 120.200 0.129 0.000 2.072 485 E HA -0.229 4.121 4.350 -0.000 0.000 0.191 485 E C 2.202 178.864 176.600 0.103 0.000 0.985 485 E CA 1.311 57.777 56.400 0.110 0.000 0.801 485 E CB -0.297 29.454 29.700 0.085 0.000 0.750 485 E HN 0.665 nan 8.360 nan 0.000 0.452 486 Q N 0.171 120.031 119.800 0.100 0.000 2.124 486 Q HA -0.071 4.269 4.340 -0.000 0.000 0.202 486 Q C 2.432 178.486 176.000 0.090 0.000 0.977 486 Q CA 0.898 56.752 55.803 0.084 0.000 0.850 486 Q CB -0.124 28.663 28.738 0.080 0.000 0.901 486 Q HN 0.238 nan 8.270 nan 0.000 0.429 487 L N 0.560 121.858 121.223 0.124 0.000 2.046 487 L HA -0.223 4.117 4.340 -0.000 0.000 0.208 487 L C 2.260 179.215 176.870 0.143 0.000 1.077 487 L CA 1.300 56.225 54.840 0.142 0.000 0.747 487 L CB -0.340 41.834 42.059 0.191 0.000 0.896 487 L HN 0.167 nan 8.230 nan 0.000 0.432 488 K N -0.468 120.036 120.400 0.174 0.000 2.074 488 K HA -0.180 4.140 4.320 -0.000 0.000 0.209 488 K C 1.996 178.624 176.600 0.046 0.000 1.048 488 K CA 1.421 57.774 56.287 0.110 0.000 0.926 488 K CB -0.335 32.245 32.500 0.132 0.000 0.713 488 K HN 0.127 nan 8.250 nan 0.000 0.444 489 V N 1.677 121.623 119.914 0.053 0.000 2.307 489 V HA -0.234 3.886 4.120 -0.000 0.000 0.245 489 V C 2.200 178.305 176.094 0.018 0.000 1.045 489 V CA 1.609 63.928 62.300 0.031 0.000 1.024 489 V CB -0.365 31.480 31.823 0.036 0.000 0.651 489 V HN 0.260 nan 8.190 nan 0.000 0.449 490 I N -0.274 120.313 120.570 0.028 0.000 2.208 490 I HA -0.273 3.897 4.170 -0.000 0.000 0.245 490 I C 2.748 178.866 176.117 0.001 0.000 1.097 490 I CA 1.725 63.036 61.300 0.017 0.000 1.363 490 I CB -0.443 37.573 38.000 0.025 0.000 1.051 490 I HN 0.205 nan 8.210 nan 0.000 0.413 491 R N 0.661 121.156 120.500 -0.007 0.000 2.152 491 R HA -0.170 4.170 4.340 -0.000 0.000 0.232 491 R C 1.986 178.252 176.300 -0.057 0.000 1.117 491 R CA 1.208 57.280 56.100 -0.046 0.000 0.981 491 R CB 0.018 30.256 30.300 -0.102 0.000 0.870 491 R HN 0.304 nan 8.270 nan 0.000 0.451 492 E N 0.702 120.877 120.200 -0.042 0.000 2.046 492 E HA -0.125 4.225 4.350 -0.000 0.000 0.190 492 E C 2.063 178.632 176.600 -0.051 0.000 0.982 492 E CA 1.009 57.381 56.400 -0.047 0.000 0.800 492 E CB -0.140 29.543 29.700 -0.029 0.000 0.756 492 E HN 0.354 nan 8.360 nan 0.000 0.449 493 R N 0.370 120.849 120.500 -0.035 0.000 2.105 493 R HA -0.144 4.196 4.340 -0.000 0.000 0.239 493 R C 2.389 178.655 176.300 -0.058 0.000 1.135 493 R CA 1.026 57.104 56.100 -0.036 0.000 0.967 493 R CB -0.442 29.849 30.300 -0.014 0.000 0.861 493 R HN 0.079 nan 8.270 nan 0.000 0.442 494 L N 1.554 122.745 121.223 -0.053 0.000 2.093 494 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 494 L C 1.485 178.249 176.870 -0.177 0.000 1.085 494 L CA 1.797 56.596 54.840 -0.068 0.000 0.755 494 L CB -0.162 41.892 42.059 -0.008 0.000 0.904 494 L HN -0.046 nan 8.230 nan 0.000 0.435 495 K N -0.827 119.482 120.400 -0.152 0.000 2.515 495 K HA -0.098 4.222 4.320 -0.000 0.000 0.196 495 K C 0.798 177.264 176.600 -0.223 0.000 1.038 495 K CA 0.982 57.155 56.287 -0.190 0.000 0.967 495 K CB -0.164 32.259 32.500 -0.129 0.000 0.780 495 K HN 0.374 nan 8.250 nan 0.000 0.483 496 N N -0.228 118.351 118.700 -0.202 0.000 2.291 496 N HA 0.138 4.878 4.740 -0.000 0.000 0.244 496 N C -1.015 174.375 175.510 -0.201 0.000 1.216 496 N CA -0.244 52.696 53.050 -0.183 0.000 0.879 496 N CB 0.774 39.195 38.487 -0.111 0.000 1.167 496 N HN 0.058 nan 8.380 nan 0.000 0.515 497 A N 0.977 123.615 122.820 -0.304 0.000 2.351 497 A HA 0.507 4.827 4.320 -0.000 0.000 0.257 497 A C 0.148 177.583 177.584 -0.248 0.000 1.087 497 A CA -0.387 51.511 52.037 -0.231 0.000 0.798 497 A CB 0.348 19.253 19.000 -0.160 0.000 1.033 497 A HN 0.527 nan 8.150 nan 0.000 0.488 498 R N 1.043 121.556 120.500 0.022 0.000 2.589 498 R HA 0.671 5.011 4.340 -0.000 0.000 0.293 498 R C -1.348 175.128 176.300 0.293 0.000 0.963 498 R CA -0.748 55.411 56.100 0.098 0.000 0.905 498 R CB 1.034 31.364 30.300 0.050 0.000 1.144 498 R HN 0.476 nan 8.270 nan 0.000 0.459 499 L N 3.139 124.545 121.223 0.305 0.000 2.260 499 L HA 0.282 4.622 4.340 -0.000 0.000 0.289 499 L C -0.258 176.677 176.870 0.108 0.000 1.057 499 L CA 0.175 55.160 54.840 0.242 0.000 0.811 499 L CB 1.223 43.439 42.059 0.262 0.000 1.184 499 L HN 0.772 nan 8.230 nan 0.000 0.429 500 D N 1.688 122.127 120.400 0.065 0.000 2.346 500 D HA 0.018 4.658 4.640 -0.000 0.000 0.206 500 D C -0.341 175.968 176.300 0.015 0.000 1.001 500 D CA 0.571 54.591 54.000 0.034 0.000 0.871 500 D CB 0.366 41.182 40.800 0.026 0.000 0.943 500 D HN 0.545 nan 8.370 nan 0.000 0.518 501 D N 0.022 120.423 120.400 0.001 0.000 2.373 501 D HA 0.055 4.695 4.640 -0.000 0.000 0.227 501 D C 0.932 177.227 176.300 -0.007 0.000 1.091 501 D CA -0.062 53.932 54.000 -0.010 0.000 0.840 501 D CB 1.578 42.362 40.800 -0.027 0.000 1.060 501 D HN -0.238 nan 8.370 nan 0.000 0.502 502 T N 1.492 116.047 114.554 0.001 0.000 3.014 502 T HA -0.019 4.331 4.350 -0.000 0.000 0.263 502 T C 0.960 175.657 174.700 -0.004 0.000 1.078 502 T CA 0.718 62.821 62.100 0.005 0.000 1.135 502 T CB -0.058 68.816 68.868 0.009 0.000 0.895 502 T HN 0.493 nan 8.240 nan 0.000 0.480 503 S N 0.894 116.589 115.700 -0.008 0.000 2.587 503 S HA 0.163 4.633 4.470 -0.000 0.000 0.260 503 S C 1.278 175.866 174.600 -0.020 0.000 1.353 503 S CA 0.088 58.282 58.200 -0.009 0.000 0.995 503 S CB 1.004 64.203 63.200 -0.002 0.000 0.912 503 S HN 0.458 nan 8.310 nan 0.000 0.568 504 S N -1.461 114.229 115.700 -0.015 0.000 2.559 504 S HA 0.228 4.698 4.470 -0.000 0.000 0.226 504 S C 0.080 174.665 174.600 -0.024 0.000 1.030 504 S CA -0.243 57.940 58.200 -0.028 0.000 0.956 504 S CB -0.311 62.878 63.200 -0.020 0.000 0.900 504 S HN 0.788 nan 8.310 nan 0.000 0.510 505 E N 1.542 121.746 120.200 0.007 0.000 2.014 505 E HA 0.432 4.782 4.350 -0.000 0.000 0.275 505 E C -0.787 175.887 176.600 0.123 0.000 0.997 505 E CA -0.858 55.570 56.400 0.048 0.000 0.804 505 E CB -0.550 29.178 29.700 0.047 0.000 1.090 505 E HN 0.254 nan 8.360 nan 0.000 0.401 506 F N 3.627 123.540 119.950 -0.063 0.000 2.773 506 F HA -0.285 4.242 4.527 -0.000 0.000 0.251 506 F C -0.495 175.264 175.800 -0.068 0.000 1.020 506 F CA 0.472 58.433 58.000 -0.065 0.000 0.924 506 F CB -0.427 38.543 39.000 -0.049 0.000 0.919 506 F HN 0.478 nan 8.300 nan 0.000 0.846 507 N N 1.511 120.149 118.700 -0.103 0.000 2.521 507 N HA 0.147 4.887 4.740 -0.000 0.000 0.236 507 N C 1.171 176.568 175.510 -0.189 0.000 1.067 507 N CA 0.443 53.435 53.050 -0.097 0.000 0.939 507 N CB 0.880 39.308 38.487 -0.097 0.000 1.201 507 N HN 0.390 nan 8.380 nan 0.000 0.511 508 T N 0.477 114.956 114.554 -0.125 0.000 3.055 508 T HA -0.118 4.232 4.350 -0.000 0.000 0.265 508 T C 1.440 176.029 174.700 -0.185 0.000 1.111 508 T CA 0.727 62.727 62.100 -0.166 0.000 1.118 508 T CB 0.088 68.926 68.868 -0.049 0.000 0.909 508 T HN 0.370 nan 8.240 nan 0.000 0.501 509 Q N 1.893 121.601 119.800 -0.153 0.000 2.050 509 Q HA -0.009 4.331 4.340 -0.000 0.000 0.202 509 Q C 2.480 178.316 176.000 -0.273 0.000 0.980 509 Q CA 1.642 57.341 55.803 -0.173 0.000 0.840 509 Q CB -0.399 28.271 28.738 -0.112 0.000 0.898 509 Q HN 0.614 nan 8.270 nan 0.000 0.424 510 R N -0.715 119.622 120.500 -0.270 0.000 2.103 510 R HA -0.154 4.186 4.340 -0.000 0.000 0.242 510 R C 1.937 177.935 176.300 -0.502 0.000 1.142 510 R CA 1.696 57.584 56.100 -0.355 0.000 0.960 510 R CB -0.321 29.825 30.300 -0.256 0.000 0.858 510 R HN 0.259 nan 8.270 nan 0.000 0.439 511 V N 1.303 120.929 119.914 -0.480 0.000 2.261 511 V HA -0.224 3.896 4.120 -0.000 0.000 0.246 511 V C 2.032 177.791 176.094 -0.560 0.000 1.047 511 V CA 2.185 64.102 62.300 -0.638 0.000 1.015 511 V CB -0.516 30.992 31.823 -0.525 0.000 0.642 511 V HN 0.439 nan 8.190 nan 0.000 0.446 512 E N -0.879 119.088 120.200 -0.389 0.000 2.204 512 E HA -0.208 4.142 4.350 -0.000 0.000 0.195 512 E C 2.198 178.576 176.600 -0.369 0.000 0.990 512 E CA 1.505 57.726 56.400 -0.299 0.000 0.821 512 E CB -0.288 29.289 29.700 -0.206 0.000 0.750 512 E HN 0.623 nan 8.360 nan 0.000 0.477 513 C N 0.377 119.323 119.300 -0.589 0.000 2.466 513 C HA -0.031 4.429 4.460 -0.000 0.000 0.278 513 C C 2.506 176.913 174.990 -0.972 0.000 1.288 513 C CA 0.245 58.656 59.018 -1.012 0.000 1.722 513 C CB -0.751 25.879 27.740 -1.851 0.000 2.017 513 C HN 0.395 nan 8.230 nan 0.000 0.488 514 L N 0.638 121.370 121.223 -0.819 0.000 2.141 514 L HA -0.132 4.208 4.340 -0.000 0.000 0.209 514 L C 2.597 179.380 176.870 -0.145 0.000 1.094 514 L CA 1.425 55.998 54.840 -0.446 0.000 0.763 514 L CB -0.684 41.100 42.059 -0.459 0.000 0.908 514 L HN 0.435 nan 8.230 nan 0.000 0.437 515 E N -0.011 120.071 120.200 -0.197 0.000 2.077 515 E HA -0.256 4.094 4.350 -0.000 0.000 0.193 515 E C 2.114 178.709 176.600 -0.009 0.000 0.989 515 E CA 1.006 57.395 56.400 -0.019 0.000 0.800 515 E CB -0.155 29.518 29.700 -0.045 0.000 0.746 515 E HN 0.230 nan 8.360 nan 0.000 0.452 516 L N 1.895 123.083 121.223 -0.058 0.000 2.042 516 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 516 L C 1.474 178.394 176.870 0.083 0.000 1.076 516 L CA 1.900 56.748 54.840 0.015 0.000 0.749 516 L CB -0.438 41.641 42.059 0.032 0.000 0.893 516 L HN 0.002 nan 8.230 nan 0.000 0.432 517 D N -0.501 119.984 120.400 0.142 0.000 2.149 517 D HA -0.176 4.464 4.640 -0.000 0.000 0.198 517 D C 1.851 178.208 176.300 0.095 0.000 0.990 517 D CA 1.163 55.262 54.000 0.166 0.000 0.839 517 D CB -0.226 40.716 40.800 0.237 0.000 0.948 517 D HN 0.441 nan 8.370 nan 0.000 0.460 518 N N 0.277 119.027 118.700 0.082 0.000 2.207 518 N HA -0.016 4.724 4.740 -0.000 0.000 0.182 518 N C 2.149 177.681 175.510 0.036 0.000 1.020 518 N CA 0.164 53.250 53.050 0.061 0.000 0.858 518 N CB -0.349 38.180 38.487 0.071 0.000 0.991 518 N HN 0.221 nan 8.380 nan 0.000 0.427 519 L N 0.365 121.603 121.223 0.025 0.000 2.043 519 L HA -0.220 4.120 4.340 -0.000 0.000 0.212 519 L C 2.393 179.253 176.870 -0.017 0.000 1.075 519 L CA 1.141 55.976 54.840 -0.008 0.000 0.752 519 L CB -0.307 41.741 42.059 -0.019 0.000 0.891 519 L HN 0.162 nan 8.230 nan 0.000 0.432 520 M N -0.127 119.478 119.600 0.008 0.000 2.066 520 M HA -0.192 4.288 4.480 -0.000 0.000 0.259 520 M C 2.201 178.513 176.300 0.020 0.000 1.074 520 M CA 1.806 57.111 55.300 0.009 0.000 1.114 520 M CB -0.523 32.088 32.600 0.019 0.000 1.306 520 M HN 0.058 nan 8.290 nan 0.000 0.411 521 E N -0.502 119.712 120.200 0.023 0.000 2.130 521 E HA -0.193 4.157 4.350 -0.000 0.000 0.196 521 E C 2.009 178.623 176.600 0.023 0.000 0.998 521 E CA 2.077 58.499 56.400 0.036 0.000 0.806 521 E CB -0.907 28.819 29.700 0.043 0.000 0.738 521 E HN 0.604 nan 8.360 nan 0.000 0.459 522 T N 1.242 115.801 114.554 0.009 0.000 2.698 522 T HA -0.055 4.295 4.350 -0.000 0.000 0.260 522 T C 2.036 176.711 174.700 -0.042 0.000 1.044 522 T CA 1.561 63.663 62.100 0.004 0.000 1.149 522 T CB -0.372 68.524 68.868 0.047 0.000 0.864 522 T HN 0.307 nan 8.240 nan 0.000 0.419 523 A N 0.728 123.495 122.820 -0.088 0.000 1.903 523 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 523 A C 2.116 179.572 177.584 -0.212 0.000 1.191 523 A CA 2.040 53.957 52.037 -0.200 0.000 0.638 523 A CB -1.239 17.642 19.000 -0.199 0.000 0.823 523 A HN 0.590 nan 8.150 nan 0.000 0.451 524 Y N 0.358 120.521 120.300 -0.227 0.000 2.097 524 Y HA -0.137 4.413 4.550 -0.000 0.000 0.282 524 Y C 2.727 178.410 175.900 -0.361 0.000 1.152 524 Y CA 1.624 59.582 58.100 -0.237 0.000 1.136 524 Y CB -0.550 37.819 38.460 -0.151 0.000 0.975 524 Y HN 0.311 nan 8.280 nan 0.000 0.498 525 A N -1.307 121.268 122.820 -0.408 0.000 1.969 525 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 525 A C 2.208 179.507 177.584 -0.474 0.000 1.169 525 A CA 1.998 53.562 52.037 -0.788 0.000 0.635 525 A CB -1.183 17.334 19.000 -0.806 0.000 0.810 525 A HN 0.501 nan 8.150 nan 0.000 0.445 526 T N 0.210 114.585 114.554 -0.298 0.000 2.746 526 T HA -0.012 4.338 4.350 -0.000 0.000 0.267 526 T C 2.247 176.717 174.700 -0.384 0.000 1.039 526 T CA 1.508 63.499 62.100 -0.182 0.000 1.142 526 T CB -0.389 68.476 68.868 -0.004 0.000 0.866 526 T HN 0.589 nan 8.240 nan 0.000 0.444 527 A N 1.016 123.434 122.820 -0.670 0.000 1.858 527 A HA -0.060 4.260 4.320 -0.000 0.000 0.216 527 A C 2.575 179.974 177.584 -0.308 0.000 1.190 527 A CA 1.474 53.015 52.037 -0.827 0.000 0.617 527 A CB -1.091 17.425 19.000 -0.807 0.000 0.827 527 A HN 0.341 nan 8.150 nan 0.000 0.443 528 V N 0.057 119.731 119.914 -0.401 0.000 2.392 528 V HA -0.230 3.890 4.120 -0.000 0.000 0.249 528 V C 2.780 178.857 176.094 -0.030 0.000 1.059 528 V CA 2.351 64.523 62.300 -0.214 0.000 1.051 528 V CB -0.784 30.884 31.823 -0.258 0.000 0.658 528 V HN 0.562 nan 8.190 nan 0.000 0.455 529 S N 0.135 115.790 115.700 -0.074 0.000 2.357 529 S HA -0.088 4.382 4.470 -0.000 0.000 0.221 529 S C 2.233 176.858 174.600 0.041 0.000 1.031 529 S CA 1.273 59.496 58.200 0.039 0.000 0.982 529 S CB -0.445 62.747 63.200 -0.014 0.000 0.853 529 S HN 0.644 nan 8.310 nan 0.000 0.458 530 A N 2.513 125.341 122.820 0.013 0.000 1.933 530 A HA -0.130 4.190 4.320 -0.000 0.000 0.218 530 A C 1.961 179.666 177.584 0.202 0.000 1.175 530 A CA 1.297 53.392 52.037 0.097 0.000 0.628 530 A CB -0.625 18.596 19.000 0.368 0.000 0.814 530 A HN 0.435 nan 8.150 nan 0.000 0.444 531 N N -1.066 117.763 118.700 0.216 0.000 2.120 531 N HA -0.153 4.587 4.740 -0.000 0.000 0.188 531 N C 1.555 177.140 175.510 0.125 0.000 1.024 531 N CA 1.648 54.805 53.050 0.178 0.000 0.852 531 N CB -0.429 38.164 38.487 0.178 0.000 1.003 531 N HN 0.531 nan 8.380 nan 0.000 0.424 532 F N 2.014 121.960 119.950 -0.007 0.000 2.134 532 F HA -0.052 4.475 4.527 -0.000 0.000 0.299 532 F C 1.242 176.938 175.800 -0.173 0.000 1.097 532 F CA 0.925 58.926 58.000 0.001 0.000 1.264 532 F CB -0.137 38.906 39.000 0.071 0.000 1.001 532 F HN -0.182 nan 8.300 nan 0.000 0.479 533 R N 1.416 121.600 120.500 -0.526 0.000 2.309 533 R HA 0.104 4.444 4.340 -0.000 0.000 0.331 533 R C -0.436 175.298 176.300 -0.944 0.000 1.116 533 R CA 0.436 55.813 56.100 -1.204 0.000 0.970 533 R CB -0.224 29.589 30.300 -0.810 0.000 1.024 533 R HN 0.257 nan 8.270 nan 0.000 0.472 534 T N 1.852 115.620 114.554 -1.310 0.000 3.855 534 T HA 0.210 4.560 4.350 -0.000 0.000 0.306 534 T C -0.339 173.803 174.700 -0.930 0.000 1.575 534 T CA -0.563 60.814 62.100 -1.205 0.000 1.214 534 T CB -0.416 67.614 68.868 -1.397 0.000 1.262 534 T HN 0.769 nan 8.240 nan 0.000 0.883 535 E N -0.737 119.113 120.200 -0.583 0.000 2.432 535 E HA 0.562 4.912 4.350 -0.000 0.000 0.279 535 E C -1.624 174.893 176.600 -0.138 0.000 1.099 535 E CA -1.194 55.071 56.400 -0.224 0.000 0.859 535 E CB 0.472 30.024 29.700 -0.247 0.000 1.402 535 E HN 0.026 nan 8.360 nan 0.000 0.451 536 S N 0.087 115.768 115.700 -0.031 0.000 2.498 536 S HA 0.666 5.136 4.470 -0.000 0.000 0.317 536 S C -0.992 173.637 174.600 0.049 0.000 1.090 536 S CA -0.741 57.436 58.200 -0.039 0.000 1.089 536 S CB 0.935 64.136 63.200 0.001 0.000 0.997 536 S HN 0.484 nan 8.310 nan 0.000 0.470 537 R N 1.788 122.338 120.500 0.084 0.000 2.535 537 R HA 0.535 4.875 4.340 -0.000 0.000 0.274 537 R C 0.718 177.100 176.300 0.136 0.000 1.090 537 R CA 0.263 56.437 56.100 0.124 0.000 0.930 537 R CB 0.929 31.311 30.300 0.138 0.000 1.223 537 R HN 0.865 nan 8.270 nan 0.000 0.441 538 G N 2.332 111.210 108.800 0.129 0.000 2.685 538 G HA2 -0.482 3.478 3.960 -0.000 0.000 0.329 538 G HA3 -0.482 3.478 3.960 -0.000 0.000 0.329 538 G C 0.862 175.823 174.900 0.102 0.000 1.271 538 G CA 1.005 46.176 45.100 0.119 0.000 1.003 538 G HN 0.905 nan 8.290 nan 0.000 0.549 539 A N -0.845 122.049 122.820 0.124 0.000 1.930 539 A HA 0.161 4.481 4.320 -0.000 0.000 0.217 539 A C 1.411 179.077 177.584 0.137 0.000 1.175 539 A CA 2.006 54.122 52.037 0.131 0.000 0.627 539 A CB -0.511 18.611 19.000 0.204 0.000 0.815 539 A HN 1.447 nan 8.150 nan 0.000 0.443 540 H N 0.670 119.777 119.070 0.061 0.000 3.082 540 H HA 0.456 5.012 4.556 -0.000 0.000 0.275 540 H C -0.712 174.614 175.328 -0.003 0.000 1.032 540 H CA 0.212 56.284 56.048 0.040 0.000 1.477 540 H CB 0.035 29.816 29.762 0.033 0.000 1.520 540 H HN 0.084 nan 8.280 nan 0.000 0.521 541 S N 5.789 121.312 115.700 -0.296 0.000 2.733 541 S HA 0.442 4.912 4.470 -0.000 0.000 0.307 541 S C -0.629 173.791 174.600 -0.300 0.000 1.127 541 S CA -0.808 57.242 58.200 -0.249 0.000 1.097 541 S CB 0.160 63.248 63.200 -0.187 0.000 1.003 541 S HN 0.707 nan 8.310 nan 0.000 0.477 542 R N 3.346 123.690 120.500 -0.260 0.000 2.310 542 R HA 0.343 4.683 4.340 -0.000 0.000 0.324 542 R C 0.176 176.494 176.300 0.030 0.000 0.955 542 R CA -0.583 55.416 56.100 -0.167 0.000 0.830 542 R CB 0.606 30.850 30.300 -0.094 0.000 1.154 542 R HN 0.504 nan 8.270 nan 0.000 0.458 543 F N 1.991 121.966 119.950 0.041 0.000 2.069 543 F HA -0.259 4.268 4.527 -0.000 0.000 0.298 543 F C 2.269 178.057 175.800 -0.020 0.000 1.113 543 F CA 1.682 59.682 58.000 0.000 0.000 1.214 543 F CB -0.380 38.597 39.000 -0.039 0.000 0.978 543 F HN 0.580 nan 8.300 nan 0.000 0.474 544 D N -1.121 119.393 120.400 0.189 0.000 2.310 544 D HA -0.208 4.432 4.640 -0.000 0.000 0.212 544 D C 0.173 176.315 176.300 -0.264 0.000 0.965 544 D CA 0.866 54.858 54.000 -0.013 0.000 0.879 544 D CB -0.736 40.081 40.800 0.028 0.000 0.921 544 D HN 0.300 nan 8.370 nan 0.000 0.510 545 F N 0.274 120.237 119.950 0.023 0.000 2.769 545 F HA 0.282 4.809 4.527 -0.000 0.000 0.358 545 F C -1.889 173.914 175.800 0.005 0.000 1.285 545 F CA -1.872 56.133 58.000 0.007 0.000 1.199 545 F CB 2.152 41.133 39.000 -0.031 0.000 1.558 545 F HN -0.218 nan 8.300 nan 0.000 0.583 546 P HA 0.006 nan 4.420 nan 0.000 0.245 546 P C -0.369 177.001 177.300 0.117 0.000 1.212 546 P CA 0.693 63.872 63.100 0.132 0.000 0.774 546 P CB 0.365 32.138 31.700 0.121 0.000 0.999 547 D N 0.371 120.846 120.400 0.126 0.000 2.163 547 D HA 0.201 4.841 4.640 -0.000 0.000 0.248 547 D C 0.159 176.529 176.300 0.118 0.000 1.035 547 D CA -0.530 53.539 54.000 0.116 0.000 0.872 547 D CB 1.443 42.311 40.800 0.114 0.000 1.183 547 D HN -0.128 nan 8.370 nan 0.000 0.445 548 R N 1.289 121.854 120.500 0.108 0.000 2.401 548 R HA 0.070 4.410 4.340 -0.000 0.000 0.299 548 R C -0.687 175.692 176.300 0.131 0.000 1.064 548 R CA -0.108 56.062 56.100 0.115 0.000 1.000 548 R CB 0.398 30.764 30.300 0.110 0.000 0.973 548 R HN 0.261 nan 8.270 nan 0.000 0.438 549 D N 3.171 123.677 120.400 0.176 0.000 2.462 549 D HA 0.112 4.752 4.640 -0.000 0.000 0.249 549 D C -0.415 175.999 176.300 0.190 0.000 1.117 549 D CA -0.499 53.623 54.000 0.204 0.000 0.900 549 D CB 1.099 42.083 40.800 0.307 0.000 1.039 549 D HN 0.418 nan 8.370 nan 0.000 0.516 550 D N 1.926 122.391 120.400 0.109 0.000 2.317 550 D HA -0.061 4.579 4.640 -0.000 0.000 0.211 550 D C 1.385 177.707 176.300 0.036 0.000 0.966 550 D CA 0.521 54.563 54.000 0.070 0.000 0.876 550 D CB 0.413 41.228 40.800 0.025 0.000 0.927 550 D HN 0.593 nan 8.370 nan 0.000 0.519 551 E N -0.010 120.209 120.200 0.032 0.000 2.152 551 E HA -0.036 4.314 4.350 -0.000 0.000 0.192 551 E C 1.153 177.712 176.600 -0.067 0.000 0.983 551 E CA 0.595 56.990 56.400 -0.007 0.000 0.818 551 E CB 0.236 29.939 29.700 0.005 0.000 0.758 551 E HN 0.259 nan 8.360 nan 0.000 0.467 552 N N -1.694 116.948 118.700 -0.097 0.000 2.257 552 N HA 0.020 4.760 4.740 -0.000 0.000 0.200 552 N C 0.349 175.468 175.510 -0.652 0.000 1.163 552 N CA 0.233 53.054 53.050 -0.382 0.000 0.891 552 N CB 0.431 38.649 38.487 -0.447 0.000 1.067 552 N HN 0.161 nan 8.380 nan 0.000 0.497 553 W N 0.700 121.987 121.300 -0.021 0.000 2.499 553 W HA 0.381 5.041 4.660 -0.000 0.000 0.362 553 W C 0.063 176.577 176.519 -0.008 0.000 0.945 553 W CA -0.446 56.884 57.345 -0.024 0.000 1.721 553 W CB 0.313 29.755 29.460 -0.031 0.000 1.156 553 W HN -0.159 nan 8.180 nan 0.000 0.547 554 L N 3.547 124.839 121.223 0.116 0.000 2.376 554 L HA 0.306 4.646 4.340 -0.000 0.000 0.250 554 L C 0.237 177.114 176.870 0.012 0.000 1.335 554 L CA -0.250 54.633 54.840 0.071 0.000 1.214 554 L CB -1.424 40.660 42.059 0.041 0.000 1.395 554 L HN 0.188 nan 8.230 nan 0.000 0.424 555 C N -0.682 118.624 119.300 0.010 0.000 3.167 555 C HA 0.427 4.887 4.460 -0.000 0.000 0.348 555 C C -0.485 174.469 174.990 -0.061 0.000 1.394 555 C CA -1.183 57.794 59.018 -0.068 0.000 1.204 555 C CB 1.177 28.919 27.740 0.004 0.000 1.467 555 C HN 0.481 nan 8.230 nan 0.000 0.446 556 H N 1.279 120.430 119.070 0.135 0.000 2.481 556 H HA 0.636 5.192 4.556 -0.000 0.000 0.339 556 H C 0.411 175.859 175.328 0.201 0.000 1.131 556 H CA 0.713 56.844 56.048 0.139 0.000 1.301 556 H CB 1.847 31.657 29.762 0.080 0.000 1.476 556 H HN 0.947 nan 8.280 nan 0.000 0.529 557 S N 2.303 118.216 115.700 0.355 0.000 2.541 557 S HA 0.480 4.950 4.470 -0.000 0.000 0.283 557 S C -0.377 174.343 174.600 0.200 0.000 1.196 557 S CA -0.857 57.561 58.200 0.362 0.000 1.062 557 S CB 1.338 64.802 63.200 0.440 0.000 1.009 557 S HN 0.370 nan 8.310 nan 0.000 0.502 558 L N 2.906 124.202 121.223 0.122 0.000 2.406 558 L HA 0.470 4.810 4.340 -0.000 0.000 0.272 558 L C -1.517 175.364 176.870 0.019 0.000 0.980 558 L CA -0.737 54.137 54.840 0.057 0.000 0.831 558 L CB 1.700 43.778 42.059 0.031 0.000 1.253 558 L HN 0.863 nan 8.230 nan 0.000 0.406 559 Y N 5.729 125.985 120.300 -0.073 0.000 2.452 559 Y HA 0.516 5.066 4.550 -0.000 0.000 0.348 559 Y C -0.842 175.022 175.900 -0.059 0.000 0.985 559 Y CA -0.493 57.557 58.100 -0.084 0.000 1.214 559 Y CB 0.566 38.993 38.460 -0.055 0.000 1.136 559 Y HN 0.506 nan 8.280 nan 0.000 0.523 560 L N 10.040 130.976 121.223 -0.479 0.000 2.283 560 L HA 0.261 4.601 4.340 -0.000 0.000 0.287 560 L C -1.542 174.962 176.870 -0.610 0.000 1.073 560 L CA -1.706 52.889 54.840 -0.408 0.000 0.822 560 L CB 0.953 42.858 42.059 -0.258 0.000 1.186 560 L HN 0.579 nan 8.230 nan 0.000 0.436 561 P HA -0.061 nan 4.420 nan 0.000 0.222 561 P C 0.931 178.121 177.300 -0.183 0.000 1.153 561 P CA 0.902 63.812 63.100 -0.317 0.000 0.798 561 P CB 0.472 32.138 31.700 -0.057 0.000 0.796 562 E N -0.085 120.024 120.200 -0.150 0.000 2.170 562 E HA -0.041 4.309 4.350 -0.000 0.000 0.191 562 E C 1.664 178.210 176.600 -0.091 0.000 0.981 562 E CA 1.278 57.622 56.400 -0.093 0.000 0.830 562 E CB -0.096 29.562 29.700 -0.071 0.000 0.775 562 E HN 0.294 nan 8.360 nan 0.000 0.470 563 S N -0.060 115.565 115.700 -0.124 0.000 2.556 563 S HA 0.079 4.549 4.470 -0.000 0.000 0.216 563 S C 0.369 174.912 174.600 -0.096 0.000 0.970 563 S CA -0.158 57.986 58.200 -0.094 0.000 0.912 563 S CB 0.119 63.265 63.200 -0.090 0.000 0.790 563 S HN 0.170 nan 8.310 nan 0.000 0.504 564 E N 1.301 121.400 120.200 -0.169 0.000 2.660 564 E HA -0.198 4.152 4.350 -0.000 0.000 0.260 564 E C -0.119 176.426 176.600 -0.092 0.000 1.122 564 E CA 0.749 57.075 56.400 -0.123 0.000 0.755 564 E CB -2.111 27.666 29.700 0.128 0.000 1.345 564 E HN 0.835 nan 8.360 nan 0.000 0.421 565 S N -0.959 114.624 115.700 -0.196 0.000 2.718 565 S HA 0.743 5.213 4.470 -0.000 0.000 0.300 565 S C 0.266 174.728 174.600 -0.231 0.000 1.117 565 S CA -1.116 56.999 58.200 -0.141 0.000 1.002 565 S CB 2.034 65.171 63.200 -0.106 0.000 1.092 565 S HN 0.077 nan 8.310 nan 0.000 0.542 566 M N 1.157 120.570 119.600 -0.311 0.000 2.573 566 M HA 0.682 5.162 4.480 -0.000 0.000 0.309 566 M C 0.192 176.191 176.300 -0.501 0.000 1.202 566 M CA -0.265 54.681 55.300 -0.590 0.000 0.975 566 M CB 1.442 33.198 32.600 -1.407 0.000 1.600 566 M HN 1.011 nan 8.290 nan 0.000 0.479 567 T N 0.079 114.389 114.554 -0.408 0.000 2.693 567 T HA 0.600 4.950 4.350 -0.000 0.000 0.304 567 T C -1.371 173.383 174.700 0.090 0.000 1.471 567 T CA -0.692 61.352 62.100 -0.094 0.000 0.993 567 T CB 1.755 70.588 68.868 -0.059 0.000 1.554 567 T HN 0.706 nan 8.240 nan 0.000 0.496 568 R N 0.336 120.915 120.500 0.133 0.000 2.902 568 R HA 0.858 5.198 4.340 -0.000 0.000 0.258 568 R C -0.561 175.807 176.300 0.113 0.000 1.071 568 R CA -1.001 55.200 56.100 0.168 0.000 1.024 568 R CB 1.542 31.912 30.300 0.117 0.000 1.184 568 R HN 0.429 nan 8.270 nan 0.000 0.492 569 R N -0.272 120.316 120.500 0.146 0.000 2.698 569 R HA 0.317 4.657 4.340 -0.000 0.000 0.275 569 R C -0.970 175.413 176.300 0.138 0.000 1.001 569 R CA -0.628 55.553 56.100 0.135 0.000 0.896 569 R CB 2.594 32.988 30.300 0.157 0.000 1.218 569 R HN 0.563 nan 8.270 nan 0.000 0.462 570 S N 1.013 116.771 115.700 0.096 0.000 2.558 570 S HA 0.066 4.536 4.470 -0.000 0.000 0.288 570 S C 0.087 174.734 174.600 0.078 0.000 1.318 570 S CA -0.378 57.858 58.200 0.060 0.000 1.056 570 S CB 0.729 63.957 63.200 0.046 0.000 0.853 570 S HN 0.227 nan 8.310 nan 0.000 0.505 571 V N 4.599 124.491 119.914 -0.036 0.000 2.498 571 V HA 0.169 4.289 4.120 -0.000 0.000 0.279 571 V C 0.738 176.862 176.094 0.050 0.000 1.048 571 V CA -0.801 61.464 62.300 -0.059 0.000 0.967 571 V CB 1.082 32.821 31.823 -0.141 0.000 0.988 571 V HN 0.804 nan 8.190 nan 0.000 0.473 572 N N 5.481 124.241 118.700 0.100 0.000 2.470 572 N HA 0.213 4.953 4.740 -0.000 0.000 0.268 572 N C -0.102 175.465 175.510 0.095 0.000 1.136 572 N CA -0.059 53.044 53.050 0.089 0.000 0.961 572 N CB 0.995 39.536 38.487 0.091 0.000 1.067 572 N HN 0.614 nan 8.380 nan 0.000 0.468 573 M N 2.406 122.057 119.600 0.085 0.000 2.705 573 M HA 0.205 4.685 4.480 -0.000 0.000 0.387 573 M C -0.751 175.599 176.300 0.084 0.000 1.204 573 M CA -0.010 55.349 55.300 0.098 0.000 0.905 573 M CB 0.249 32.900 32.600 0.086 0.000 1.394 573 M HN 0.406 nan 8.290 nan 0.000 0.515 574 E N 2.154 122.402 120.200 0.080 0.000 2.593 574 E HA 0.331 4.681 4.350 -0.000 0.000 0.232 574 E C -2.429 174.221 176.600 0.084 0.000 1.026 574 E CA -1.578 54.863 56.400 0.068 0.000 0.772 574 E CB 1.871 31.600 29.700 0.050 0.000 1.310 574 E HN 0.099 nan 8.360 nan 0.000 0.413 575 P HA 0.046 nan 4.420 nan 0.000 0.274 575 P C 0.484 177.847 177.300 0.106 0.000 1.260 575 P CA -0.347 62.831 63.100 0.131 0.000 0.793 575 P CB 1.047 32.846 31.700 0.165 0.000 1.048 576 K N 0.033 120.507 120.400 0.123 0.000 2.350 576 K HA 0.227 4.547 4.320 -0.000 0.000 0.196 576 K C 1.530 178.196 176.600 0.110 0.000 1.084 576 K CA 0.933 57.278 56.287 0.098 0.000 0.967 576 K CB -0.147 32.405 32.500 0.087 0.000 0.950 576 K HN 0.341 nan 8.250 nan 0.000 0.512 577 L N 0.752 122.076 121.223 0.168 0.000 2.638 577 L HA 0.243 4.583 4.340 -0.000 0.000 0.232 577 L C 0.799 177.777 176.870 0.181 0.000 1.099 577 L CA -0.212 54.746 54.840 0.197 0.000 0.883 577 L CB 0.206 42.445 42.059 0.299 0.000 1.136 577 L HN 0.028 nan 8.230 nan 0.000 0.492 578 R N -0.332 120.259 120.500 0.152 0.000 2.817 578 R HA 0.640 4.980 4.340 -0.000 0.000 0.268 578 R C -3.062 173.224 176.300 -0.023 0.000 1.027 578 R CA -1.647 54.476 56.100 0.038 0.000 0.928 578 R CB 0.733 31.034 30.300 0.001 0.000 1.228 578 R HN -0.335 nan 8.270 nan 0.000 0.469 579 P HA 0.213 nan 4.420 nan 0.000 0.276 579 P C -0.603 176.562 177.300 -0.225 0.000 1.252 579 P CA -0.519 62.505 63.100 -0.127 0.000 0.802 579 P CB 0.742 32.364 31.700 -0.131 0.000 1.035 580 A N 0.971 123.721 122.820 -0.118 0.000 2.448 580 A HA 0.275 4.595 4.320 -0.000 0.000 0.239 580 A C -0.350 177.131 177.584 -0.171 0.000 1.080 580 A CA 0.052 52.050 52.037 -0.064 0.000 0.779 580 A CB -0.779 18.251 19.000 0.049 0.000 1.026 580 A HN 0.397 nan 8.150 nan 0.000 0.499 581 F N 2.266 122.315 119.950 0.164 0.000 2.411 581 F HA 0.380 4.907 4.527 -0.000 0.000 0.355 581 F C -1.637 174.292 175.800 0.215 0.000 1.117 581 F CA -1.941 56.185 58.000 0.211 0.000 1.139 581 F CB 1.081 40.247 39.000 0.277 0.000 1.120 581 F HN 0.341 nan 8.300 nan 0.000 0.493 582 P HA 0.201 nan 4.420 nan 0.000 0.275 582 P C -2.722 174.561 177.300 -0.029 0.000 1.228 582 P CA -1.869 61.305 63.100 0.123 0.000 0.786 582 P CB 0.166 31.896 31.700 0.051 0.000 0.927 583 P HA 0.120 nan 4.420 nan 0.000 0.266 583 P C -0.227 176.710 177.300 -0.605 0.000 1.215 583 P CA 0.313 62.897 63.100 -0.860 0.000 0.763 583 P CB 0.130 31.575 31.700 -0.426 0.000 0.806 584 K N 2.471 122.431 120.400 -0.734 0.000 2.261 584 K HA 0.630 4.950 4.320 -0.000 0.000 0.242 584 K C -0.458 176.035 176.600 -0.179 0.000 1.083 584 K CA -1.149 54.979 56.287 -0.266 0.000 0.880 584 K CB 0.774 33.230 32.500 -0.073 0.000 1.353 584 K HN 0.054 nan 8.250 nan 0.000 0.486 585 I N 1.530 122.073 120.570 -0.045 0.000 2.556 585 I HA 0.086 4.256 4.170 -0.000 0.000 0.284 585 I C 0.383 176.536 176.117 0.060 0.000 1.114 585 I CA -0.054 61.254 61.300 0.014 0.000 1.418 585 I CB 0.550 38.563 38.000 0.021 0.000 1.394 585 I HN 0.455 nan 8.210 nan 0.000 0.552 586 R N 5.873 126.430 120.500 0.094 0.000 2.278 586 R HA 0.382 4.722 4.340 -0.000 0.000 0.322 586 R C -1.076 175.249 176.300 0.041 0.000 1.058 586 R CA -0.267 55.884 56.100 0.085 0.000 0.991 586 R CB 0.469 30.875 30.300 0.177 0.000 1.140 586 R HN 0.816 nan 8.270 nan 0.000 0.518 587 T N 0.050 114.583 114.554 -0.035 0.000 2.900 587 T HA 0.419 4.769 4.350 -0.000 0.000 0.295 587 T C -0.709 173.942 174.700 -0.082 0.000 1.044 587 T CA -0.641 61.476 62.100 0.028 0.000 0.995 587 T CB 1.318 70.229 68.868 0.071 0.000 1.072 587 T HN 0.310 nan 8.240 nan 0.000 0.473 588 Y N 0.000 120.343 120.300 0.071 0.000 2.660 588 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 588 Y CA 0.000 58.135 58.100 0.058 0.000 1.940 588 Y CB 0.000 38.489 38.460 0.048 0.000 1.050 588 Y HN 0.000 nan 8.280 nan 0.000 0.758