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 2wdr_1_E 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 55.319 55.300 0.032 0.000 0.988 1 M CB 0.000 32.630 32.600 0.050 0.000 1.302 2 K N 1.712 122.128 120.400 0.026 0.000 2.455 2 K HA 0.492 4.812 4.320 -0.000 0.000 0.206 2 K C -1.028 175.593 176.600 0.035 0.000 1.027 2 K CA 0.013 56.316 56.287 0.026 0.000 1.113 2 K CB 0.527 33.039 32.500 0.019 0.000 0.850 2 K HN 0.676 nan 8.250 nan 0.000 0.503 3 L N 1.104 122.355 121.223 0.047 0.000 2.431 3 L HA 0.447 4.787 4.340 -0.000 0.000 0.266 3 L C -2.605 174.303 176.870 0.063 0.000 0.978 3 L CA -1.852 53.025 54.840 0.062 0.000 0.822 3 L CB 2.084 44.189 42.059 0.076 0.000 1.310 3 L HN -0.111 nan 8.230 nan 0.000 0.409 4 P HA 0.134 nan 4.420 nan 0.000 0.265 4 P C -1.264 176.022 177.300 -0.024 0.000 1.193 4 P CA -0.072 63.036 63.100 0.012 0.000 0.765 4 P CB 0.562 32.273 31.700 0.018 0.000 0.823 5 V N 5.347 125.217 119.914 -0.073 0.000 2.384 5 V HA 0.373 4.493 4.120 -0.000 0.000 0.287 5 V C 0.454 176.371 176.094 -0.295 0.000 1.020 5 V CA -0.510 61.686 62.300 -0.173 0.000 0.850 5 V CB 1.302 33.062 31.823 -0.107 0.000 0.987 5 V HN 0.430 nan 8.190 nan 0.000 0.436 6 R N 3.237 123.458 120.500 -0.464 0.000 2.310 6 R HA 0.493 4.832 4.340 -0.000 0.000 0.324 6 R C -0.441 175.597 176.300 -0.437 0.000 0.955 6 R CA -0.461 55.359 56.100 -0.467 0.000 0.830 6 R CB 2.079 32.036 30.300 -0.571 0.000 1.154 6 R HN 0.788 nan 8.270 nan 0.000 0.458 7 E N 3.600 123.473 120.200 -0.544 0.000 2.179 7 E HA 0.417 4.767 4.350 -0.000 0.000 0.275 7 E C -1.222 174.968 176.600 -0.683 0.000 0.945 7 E CA -0.449 55.688 56.400 -0.437 0.000 0.792 7 E CB 0.810 30.323 29.700 -0.312 0.000 1.125 7 E HN 0.291 nan 8.360 nan 0.000 0.397 8 F N 1.531 121.439 119.950 -0.070 0.000 2.643 8 F HA 0.227 4.754 4.527 0.000 0.000 0.314 8 F C 0.864 176.641 175.800 -0.038 0.000 1.096 8 F CA -0.843 57.136 58.000 -0.036 0.000 0.953 8 F CB 1.506 40.498 39.000 -0.013 0.000 1.345 8 F HN 0.419 nan 8.300 nan 0.000 0.468 9 D N 0.671 121.174 120.400 0.170 0.000 2.084 9 D HA 0.086 4.726 4.640 -0.000 0.000 0.196 9 D C 0.344 176.674 176.300 0.050 0.000 0.985 9 D CA 1.379 55.423 54.000 0.074 0.000 0.826 9 D CB 0.038 40.863 40.800 0.042 0.000 0.978 9 D HN 0.414 nan 8.370 nan 0.000 0.456 10 A N 0.203 123.047 122.820 0.041 0.000 2.355 10 A HA 0.567 4.887 4.320 -0.000 0.000 0.317 10 A C -0.852 176.691 177.584 -0.069 0.000 1.094 10 A CA -0.515 51.496 52.037 -0.044 0.000 0.764 10 A CB 2.052 20.983 19.000 -0.116 0.000 1.230 10 A HN -0.070 nan 8.150 nan 0.000 0.448 11 V N 2.845 122.704 119.914 -0.092 0.000 2.384 11 V HA 0.346 4.466 4.120 -0.000 0.000 0.287 11 V C -0.398 175.586 176.094 -0.184 0.000 1.020 11 V CA -0.476 61.709 62.300 -0.191 0.000 0.850 11 V CB 1.533 33.264 31.823 -0.154 0.000 0.987 11 V HN 0.630 nan 8.190 nan 0.000 0.436 12 V N 6.825 126.608 119.914 -0.219 0.000 2.318 12 V HA 0.379 4.499 4.120 -0.000 0.000 0.271 12 V C 0.249 176.233 176.094 -0.183 0.000 1.030 12 V CA -0.273 61.928 62.300 -0.165 0.000 0.844 12 V CB 1.193 32.933 31.823 -0.138 0.000 1.015 12 V HN 0.671 nan 8.190 nan 0.000 0.460 13 I N 5.458 125.935 120.570 -0.155 0.000 2.311 13 I HA 0.571 4.741 4.170 -0.000 0.000 0.297 13 I C 0.900 176.944 176.117 -0.121 0.000 1.131 13 I CA 0.367 61.569 61.300 -0.164 0.000 1.289 13 I CB 0.199 38.110 38.000 -0.148 0.000 1.446 13 I HN 0.829 nan 8.210 nan 0.000 0.524 14 G N 4.429 113.160 108.800 -0.115 0.000 2.801 14 G HA2 0.224 4.183 3.960 -0.000 0.000 0.648 14 G HA3 0.224 4.183 3.960 -0.000 0.000 0.648 14 G C -0.587 174.271 174.900 -0.071 0.000 1.415 14 G CA -0.322 44.730 45.100 -0.081 0.000 0.887 14 G HN 0.731 nan 8.290 nan 0.000 0.627 15 A N 1.042 123.823 122.820 -0.064 0.000 2.705 15 A HA 0.808 5.128 4.320 -0.000 0.000 0.294 15 A C 1.180 178.724 177.584 -0.067 0.000 1.039 15 A CA 1.088 53.084 52.037 -0.069 0.000 1.005 15 A CB -0.093 18.856 19.000 -0.085 0.000 1.192 15 A HN 2.051 nan 8.150 nan 0.000 0.513 16 G N -0.704 108.069 108.800 -0.045 0.000 2.531 16 G HA2 0.434 4.394 3.960 -0.000 0.000 0.253 16 G HA3 0.434 4.394 3.960 -0.000 0.000 0.253 16 G C 1.155 176.038 174.900 -0.027 0.000 1.439 16 G CA 0.197 45.275 45.100 -0.037 0.000 1.056 16 G HN 0.555 nan 8.290 nan 0.000 0.555 17 G N 0.174 108.967 108.800 -0.012 0.000 2.586 17 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.218 17 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.218 17 G C 2.045 176.953 174.900 0.013 0.000 1.216 17 G CA 2.458 47.558 45.100 0.000 0.000 0.786 17 G HN 1.000 nan 8.290 nan 0.000 0.583 18 A N 0.739 123.579 122.820 0.033 0.000 1.865 18 A HA 0.109 4.429 4.320 -0.000 0.000 0.217 18 A C 2.797 180.392 177.584 0.018 0.000 1.191 18 A CA 2.456 54.522 52.037 0.047 0.000 0.623 18 A CB -1.350 17.694 19.000 0.073 0.000 0.826 18 A HN 0.760 nan 8.150 nan 0.000 0.444 19 G N -0.921 107.877 108.800 -0.003 0.000 2.440 19 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.218 19 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.218 19 G C 1.657 176.535 174.900 -0.036 0.000 1.154 19 G CA 1.295 46.379 45.100 -0.027 0.000 0.767 19 G HN 0.451 nan 8.290 nan 0.000 0.552 20 M N -0.546 119.034 119.600 -0.033 0.000 2.254 20 M HA 0.034 4.514 4.480 -0.000 0.000 0.265 20 M C 2.608 178.887 176.300 -0.035 0.000 1.066 20 M CA 1.092 56.370 55.300 -0.037 0.000 1.123 20 M CB -0.067 32.516 32.600 -0.029 0.000 1.388 20 M HN 0.180 nan 8.290 nan 0.000 0.425 21 R N 0.822 121.310 120.500 -0.021 0.000 2.075 21 R HA -0.008 4.332 4.340 -0.000 0.000 0.232 21 R C 2.008 178.294 176.300 -0.024 0.000 1.126 21 R CA 1.913 58.002 56.100 -0.019 0.000 0.963 21 R CB -0.630 29.669 30.300 -0.001 0.000 0.858 21 R HN 0.299 nan 8.270 nan 0.000 0.435 22 A N 0.276 123.084 122.820 -0.019 0.000 1.898 22 A HA 0.013 4.332 4.320 -0.000 0.000 0.216 22 A C 2.357 179.909 177.584 -0.054 0.000 1.181 22 A CA 1.608 53.627 52.037 -0.029 0.000 0.620 22 A CB -1.052 17.934 19.000 -0.022 0.000 0.819 22 A HN 0.473 nan 8.150 nan 0.000 0.442 23 A N -0.345 122.439 122.820 -0.060 0.000 1.865 23 A HA -0.098 4.222 4.320 -0.000 0.000 0.217 23 A C 2.117 179.663 177.584 -0.064 0.000 1.191 23 A CA 1.845 53.838 52.037 -0.072 0.000 0.623 23 A CB -0.790 18.163 19.000 -0.077 0.000 0.826 23 A HN 0.572 nan 8.150 nan 0.000 0.444 24 L N -0.459 120.729 121.223 -0.059 0.000 1.990 24 L HA -0.243 4.097 4.340 -0.000 0.000 0.213 24 L C 2.597 179.436 176.870 -0.052 0.000 1.072 24 L CA 2.808 57.614 54.840 -0.057 0.000 0.755 24 L CB -0.911 41.115 42.059 -0.055 0.000 0.889 24 L HN 0.575 nan 8.230 nan 0.000 0.432 25 Q N -0.202 119.568 119.800 -0.049 0.000 1.993 25 Q HA -0.191 4.149 4.340 -0.000 0.000 0.202 25 Q C 2.161 178.129 176.000 -0.054 0.000 0.984 25 Q CA 2.354 58.127 55.803 -0.050 0.000 0.837 25 Q CB -0.513 28.197 28.738 -0.047 0.000 0.902 25 Q HN 0.611 nan 8.270 nan 0.000 0.423 26 I N 0.104 120.637 120.570 -0.061 0.000 2.185 26 I HA -0.359 3.811 4.170 -0.000 0.000 0.246 26 I C 2.512 178.600 176.117 -0.048 0.000 1.088 26 I CA 1.584 62.845 61.300 -0.066 0.000 1.347 26 I CB -0.647 37.303 38.000 -0.084 0.000 1.041 26 I HN 0.289 nan 8.210 nan 0.000 0.415 27 S N 0.391 116.065 115.700 -0.043 0.000 2.345 27 S HA -0.235 4.235 4.470 -0.000 0.000 0.220 27 S C 1.935 176.522 174.600 -0.022 0.000 1.031 27 S CA 1.409 59.593 58.200 -0.026 0.000 0.996 27 S CB -0.227 62.957 63.200 -0.028 0.000 0.882 27 S HN 0.466 nan 8.310 nan 0.000 0.445 28 Q N 0.520 120.302 119.800 -0.030 0.000 2.508 28 Q HA 0.085 4.425 4.340 -0.000 0.000 0.214 28 Q C 1.342 177.326 176.000 -0.028 0.000 0.979 28 Q CA 0.894 56.681 55.803 -0.028 0.000 0.911 28 Q CB -0.069 28.649 28.738 -0.034 0.000 0.969 28 Q HN 0.389 nan 8.270 nan 0.000 0.504 29 S N -1.216 114.466 115.700 -0.031 0.000 2.597 29 S HA 0.246 4.716 4.470 -0.000 0.000 0.224 29 S C 1.083 175.670 174.600 -0.022 0.000 0.955 29 S CA 0.388 58.569 58.200 -0.033 0.000 0.933 29 S CB 0.746 63.919 63.200 -0.044 0.000 0.788 29 S HN 0.659 nan 8.310 nan 0.000 0.488 30 G N 1.048 109.839 108.800 -0.015 0.000 2.308 30 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.221 30 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.221 30 G C 0.017 174.917 174.900 -0.001 0.000 1.032 30 G CA -0.431 44.665 45.100 -0.007 0.000 0.623 30 G HN 0.492 nan 8.290 nan 0.000 0.506 31 Q N 1.713 121.511 119.800 -0.005 0.000 2.306 31 Q HA 0.546 4.886 4.340 -0.000 0.000 0.241 31 Q C 0.816 176.833 176.000 0.028 0.000 0.948 31 Q CA 0.439 56.245 55.803 0.006 0.000 0.886 31 Q CB 0.919 29.653 28.738 -0.008 0.000 1.227 31 Q HN 0.515 nan 8.270 nan 0.000 0.457 32 T N -1.996 112.596 114.554 0.062 0.000 2.899 32 T HA 0.428 4.778 4.350 -0.000 0.000 0.295 32 T C -0.258 174.526 174.700 0.141 0.000 1.033 32 T CA -0.836 61.345 62.100 0.135 0.000 1.084 32 T CB 0.853 69.840 68.868 0.197 0.000 0.979 32 T HN 0.672 nan 8.240 nan 0.000 0.532 33 C N 1.912 121.289 119.300 0.128 0.000 2.989 33 C HA 0.704 5.164 4.460 -0.000 0.000 0.397 33 C C -0.519 174.308 174.990 -0.272 0.000 1.022 33 C CA -0.412 58.572 59.018 -0.057 0.000 1.232 33 C CB -0.045 27.656 27.740 -0.065 0.000 1.638 33 C HN 1.325 nan 8.230 nan 0.000 0.534 34 A N 5.020 127.479 122.820 -0.602 0.000 2.276 34 A HA 0.719 5.039 4.320 -0.000 0.000 0.316 34 A C -0.957 176.400 177.584 -0.378 0.000 1.229 34 A CA -0.409 51.208 52.037 -0.700 0.000 0.851 34 A CB 0.837 19.013 19.000 -1.374 0.000 1.165 34 A HN 1.199 nan 8.150 nan 0.000 0.513 35 L N 3.992 125.098 121.223 -0.195 0.000 2.264 35 L HA 0.540 4.880 4.340 -0.000 0.000 0.287 35 L C -0.999 175.791 176.870 -0.134 0.000 1.039 35 L CA -0.318 54.427 54.840 -0.157 0.000 0.829 35 L CB 0.419 42.419 42.059 -0.099 0.000 1.211 35 L HN 0.587 nan 8.230 nan 0.000 0.427 36 L N 3.738 124.820 121.223 -0.234 0.000 2.399 36 L HA 0.703 5.043 4.340 -0.000 0.000 0.266 36 L C 0.262 177.076 176.870 -0.093 0.000 1.114 36 L CA 0.311 55.025 54.840 -0.211 0.000 0.804 36 L CB 1.636 43.460 42.059 -0.392 0.000 1.146 36 L HN 0.706 nan 8.230 nan 0.000 0.451 37 S N 0.359 116.061 115.700 0.004 0.000 2.563 37 S HA 0.302 4.772 4.470 -0.000 0.000 0.279 37 S C 0.187 174.844 174.600 0.095 0.000 1.155 37 S CA -0.732 57.478 58.200 0.017 0.000 0.928 37 S CB 0.868 64.062 63.200 -0.010 0.000 1.107 37 S HN 0.711 nan 8.310 nan 0.000 0.462 38 K N 2.248 122.693 120.400 0.075 0.000 2.486 38 K HA 0.194 4.514 4.320 -0.000 0.000 0.194 38 K C 0.728 177.407 176.600 0.131 0.000 1.033 38 K CA 0.741 57.108 56.287 0.132 0.000 1.004 38 K CB -0.281 32.324 32.500 0.176 0.000 0.798 38 K HN 0.501 nan 8.250 nan 0.000 0.495 39 V N -2.456 117.529 119.914 0.117 0.000 3.126 39 V HA 0.465 4.585 4.120 -0.000 0.000 0.314 39 V C -0.404 175.788 176.094 0.164 0.000 1.138 39 V CA -1.518 60.873 62.300 0.151 0.000 1.034 39 V CB 1.018 32.920 31.823 0.131 0.000 1.075 39 V HN 0.080 nan 8.190 nan 0.000 0.442 40 F N 3.544 123.522 119.950 0.048 0.000 2.602 40 F HA 0.345 4.871 4.527 -0.000 0.000 0.385 40 F C -1.421 174.331 175.800 -0.081 0.000 1.063 40 F CA -1.158 56.838 58.000 -0.005 0.000 1.233 40 F CB 0.890 39.873 39.000 -0.027 0.000 1.067 40 F HN 0.451 nan 8.300 nan 0.000 0.564 41 P HA -0.275 nan 4.420 nan 0.000 0.220 41 P C 1.367 178.394 177.300 -0.455 0.000 1.155 41 P CA 2.932 65.719 63.100 -0.522 0.000 0.880 41 P CB -0.284 31.051 31.700 -0.608 0.000 0.790 42 T N -4.083 110.108 114.554 -0.605 0.000 3.194 42 T HA 0.067 4.416 4.350 -0.000 0.000 0.251 42 T C 1.236 175.843 174.700 -0.155 0.000 1.132 42 T CA 0.132 61.971 62.100 -0.433 0.000 1.028 42 T CB -0.502 68.014 68.868 -0.586 0.000 0.976 42 T HN 0.071 nan 8.240 nan 0.000 0.535 43 R N 1.039 121.522 120.500 -0.028 0.000 2.362 43 R HA 0.315 4.655 4.340 -0.000 0.000 0.227 43 R C 0.485 176.808 176.300 0.040 0.000 0.905 43 R CA -0.102 56.029 56.100 0.053 0.000 1.067 43 R CB -0.083 30.291 30.300 0.123 0.000 1.078 43 R HN 0.334 nan 8.270 nan 0.000 0.516 44 S N 1.148 116.842 115.700 -0.009 0.000 2.569 44 S HA -0.069 4.401 4.470 -0.000 0.000 0.274 44 S C 1.133 175.770 174.600 0.061 0.000 1.353 44 S CA -0.175 58.037 58.200 0.020 0.000 1.023 44 S CB 0.623 63.809 63.200 -0.023 0.000 0.876 44 S HN 0.381 nan 8.310 nan 0.000 0.540 45 H N 1.791 120.855 119.070 -0.011 0.000 2.457 45 H HA -0.074 4.482 4.556 -0.000 0.000 0.297 45 H C 1.871 177.200 175.328 0.001 0.000 1.092 45 H CA 2.209 58.255 56.048 -0.005 0.000 1.309 45 H CB -0.589 29.164 29.762 -0.016 0.000 1.382 45 H HN 0.611 nan 8.280 nan 0.000 0.535 46 T N -0.569 113.958 114.554 -0.046 0.000 2.822 46 T HA -0.184 4.166 4.350 -0.000 0.000 0.270 46 T C 2.152 176.789 174.700 -0.106 0.000 1.064 46 T CA 1.156 63.205 62.100 -0.084 0.000 1.131 46 T CB -0.627 68.218 68.868 -0.038 0.000 0.858 46 T HN 0.260 nan 8.240 nan 0.000 0.483 47 V N 0.990 120.851 119.914 -0.089 0.000 2.594 47 V HA -0.118 4.002 4.120 -0.000 0.000 0.253 47 V C 2.134 178.222 176.094 -0.011 0.000 1.069 47 V CA 1.814 64.099 62.300 -0.025 0.000 1.082 47 V CB -0.381 31.447 31.823 0.008 0.000 0.680 47 V HN 0.423 nan 8.190 nan 0.000 0.469 48 S N 0.240 115.852 115.700 -0.147 0.000 2.593 48 S HA 0.369 4.839 4.470 -0.000 0.000 0.217 48 S C 0.886 175.404 174.600 -0.136 0.000 0.966 48 S CA 0.374 58.482 58.200 -0.153 0.000 0.914 48 S CB -0.163 62.883 63.200 -0.257 0.000 0.776 48 S HN 0.708 nan 8.310 nan 0.000 0.523 49 A N 1.313 124.058 122.820 -0.125 0.000 2.462 49 A HA 0.306 4.626 4.320 -0.000 0.000 0.243 49 A C 0.829 178.426 177.584 0.023 0.000 1.076 49 A CA -0.076 51.940 52.037 -0.036 0.000 0.773 49 A CB 0.355 19.343 19.000 -0.020 0.000 1.010 49 A HN 0.476 nan 8.150 nan 0.000 0.493 50 Q N 2.131 121.969 119.800 0.062 0.000 2.652 50 Q HA 0.136 4.476 4.340 -0.000 0.000 0.211 50 Q C 2.141 178.213 176.000 0.120 0.000 0.858 50 Q CA 0.391 56.243 55.803 0.081 0.000 0.895 50 Q CB -0.209 28.574 28.738 0.074 0.000 1.194 50 Q HN 0.849 nan 8.270 nan 0.000 0.645 51 G N 0.973 109.890 108.800 0.195 0.000 2.599 51 G HA2 0.045 4.005 3.960 -0.000 0.000 0.219 51 G HA3 0.045 4.005 3.960 -0.000 0.000 0.219 51 G C 0.675 175.590 174.900 0.026 0.000 1.193 51 G CA 1.205 46.471 45.100 0.276 0.000 0.778 51 G HN 0.586 nan 8.290 nan 0.000 0.589 52 G N -1.669 107.077 108.800 -0.089 0.000 2.350 52 G HA2 0.282 4.242 3.960 -0.000 0.000 0.282 52 G HA3 0.282 4.242 3.960 -0.000 0.000 0.282 52 G C -1.411 173.406 174.900 -0.139 0.000 1.314 52 G CA -0.498 44.552 45.100 -0.083 0.000 0.915 52 G HN 0.545 nan 8.290 nan 0.000 0.499 53 I N 1.143 121.670 120.570 -0.072 0.000 2.362 53 I HA 0.397 4.567 4.170 -0.000 0.000 0.289 53 I C 0.240 176.271 176.117 -0.143 0.000 0.994 53 I CA -0.611 60.652 61.300 -0.063 0.000 1.158 53 I CB 2.010 40.039 38.000 0.048 0.000 1.315 53 I HN 0.354 nan 8.210 nan 0.000 0.451 54 T N 6.004 120.461 114.554 -0.163 0.000 2.794 54 T HA 0.435 4.785 4.350 -0.000 0.000 0.296 54 T C -0.438 174.127 174.700 -0.226 0.000 0.949 54 T CA -0.164 61.803 62.100 -0.220 0.000 1.101 54 T CB 0.960 69.725 68.868 -0.171 0.000 0.905 54 T HN 0.395 nan 8.240 nan 0.000 0.516 55 V N 2.597 122.327 119.914 -0.308 0.000 2.966 55 V HA 0.614 4.734 4.120 -0.000 0.000 0.288 55 V C -0.849 175.104 176.094 -0.235 0.000 1.380 55 V CA -0.958 61.197 62.300 -0.240 0.000 0.966 55 V CB 1.796 33.547 31.823 -0.121 0.000 1.115 55 V HN 0.955 nan 8.190 nan 0.000 0.436 56 A N 6.524 129.257 122.820 -0.145 0.000 3.030 56 A HA 0.388 4.708 4.320 -0.000 0.000 0.273 56 A C 0.885 178.401 177.584 -0.113 0.000 1.841 56 A CA 0.070 52.046 52.037 -0.101 0.000 1.479 56 A CB -0.612 18.403 19.000 0.025 0.000 1.048 56 A HN 0.942 nan 8.150 nan 0.000 0.612 57 L N 1.198 122.322 121.223 -0.165 0.000 2.270 57 L HA 0.093 4.433 4.340 -0.000 0.000 0.210 57 L C 1.878 178.649 176.870 -0.165 0.000 1.104 57 L CA 0.758 55.500 54.840 -0.163 0.000 0.804 57 L CB -0.367 41.572 42.059 -0.200 0.000 0.937 57 L HN 0.812 nan 8.230 nan 0.000 0.450 58 G N 0.806 109.477 108.800 -0.214 0.000 2.273 58 G HA2 -0.289 3.670 3.960 -0.000 0.000 0.280 58 G HA3 -0.289 3.670 3.960 -0.000 0.000 0.280 58 G C 0.556 175.339 174.900 -0.194 0.000 1.047 58 G CA 0.578 45.536 45.100 -0.238 0.000 0.869 58 G HN 0.333 nan 8.290 nan 0.000 0.502 59 N N -0.466 118.114 118.700 -0.199 0.000 2.251 59 N HA -0.003 4.737 4.740 -0.000 0.000 0.181 59 N C 2.301 177.743 175.510 -0.113 0.000 1.019 59 N CA 1.619 54.587 53.050 -0.137 0.000 0.862 59 N CB -0.278 38.129 38.487 -0.134 0.000 0.992 59 N HN 0.377 nan 8.380 nan 0.000 0.429 60 T N -0.026 114.427 114.554 -0.169 0.000 2.896 60 T HA -0.029 4.321 4.350 -0.000 0.000 0.263 60 T C -0.042 174.671 174.700 0.022 0.000 1.050 60 T CA 1.028 63.084 62.100 -0.073 0.000 1.140 60 T CB -0.052 68.772 68.868 -0.074 0.000 0.877 60 T HN 0.584 nan 8.240 nan 0.000 0.457 61 H N -1.119 117.952 119.070 0.001 0.000 3.064 61 H HA 0.563 5.119 4.556 -0.000 0.000 0.352 61 H C -0.940 174.408 175.328 0.033 0.000 1.260 61 H CA -1.080 54.984 56.048 0.028 0.000 1.160 61 H CB 0.611 30.402 29.762 0.047 0.000 1.879 61 H HN -0.060 nan 8.280 nan 0.000 0.544 62 E N 1.168 121.462 120.200 0.157 0.000 2.529 62 E HA -0.011 4.339 4.350 -0.000 0.000 0.259 62 E C -0.823 175.866 176.600 0.148 0.000 0.966 62 E CA 0.500 56.947 56.400 0.078 0.000 0.937 62 E CB 0.507 30.258 29.700 0.086 0.000 0.923 62 E HN 0.590 nan 8.360 nan 0.000 0.468 63 D N 2.398 122.748 120.400 -0.082 0.000 2.758 63 D HA 0.408 5.048 4.640 -0.000 0.000 0.279 63 D C -1.355 174.629 176.300 -0.526 0.000 1.111 63 D CA -0.563 53.357 54.000 -0.133 0.000 1.109 63 D CB 1.326 42.050 40.800 -0.127 0.000 1.428 63 D HN 0.452 nan 8.370 nan 0.000 0.586 64 N N 0.699 119.013 118.700 -0.644 0.000 2.493 64 N HA 0.014 4.754 4.740 -0.000 0.000 0.279 64 N C 0.876 176.157 175.510 -0.382 0.000 1.082 64 N CA -0.558 52.041 53.050 -0.751 0.000 0.963 64 N CB 0.707 38.265 38.487 -1.548 0.000 1.627 64 N HN 0.669 nan 8.380 nan 0.000 0.499 65 W N 3.939 125.127 121.300 -0.187 0.000 2.364 65 W HA -0.072 4.588 4.660 -0.000 0.000 0.281 65 W C 0.451 177.001 176.519 0.052 0.000 1.219 65 W CA 0.851 58.183 57.345 -0.021 0.000 1.220 65 W CB -0.337 29.111 29.460 -0.020 0.000 1.127 65 W HN 0.584 nan 8.180 nan 0.000 0.556 66 E N -0.045 119.682 120.200 -0.787 0.000 2.152 66 E HA -0.163 4.187 4.350 -0.000 0.000 0.192 66 E C 1.968 178.535 176.600 -0.056 0.000 0.983 66 E CA 1.484 57.555 56.400 -0.549 0.000 0.818 66 E CB -0.538 28.824 29.700 -0.562 0.000 0.758 66 E HN 0.194 nan 8.360 nan 0.000 0.467 67 W N 0.641 121.707 121.300 -0.390 0.000 2.358 67 W HA -0.132 4.528 4.660 -0.000 0.000 0.303 67 W C 2.124 178.617 176.519 -0.044 0.000 1.208 67 W CA 0.904 58.000 57.345 -0.414 0.000 1.274 67 W CB -1.296 27.951 29.460 -0.356 0.000 1.138 67 W HN 0.327 nan 8.180 nan 0.000 0.515 68 H N -0.615 118.561 119.070 0.177 0.000 2.389 68 H HA -0.146 4.410 4.556 -0.000 0.000 0.299 68 H C 2.289 177.705 175.328 0.146 0.000 1.081 68 H CA 1.554 57.697 56.048 0.157 0.000 1.345 68 H CB -0.121 29.732 29.762 0.152 0.000 1.393 68 H HN 0.005 nan 8.280 nan 0.000 0.520 69 M N 0.184 119.859 119.600 0.125 0.000 2.117 69 M HA -0.231 4.249 4.480 -0.000 0.000 0.262 69 M C 2.163 178.431 176.300 -0.054 0.000 1.065 69 M CA 1.667 57.021 55.300 0.090 0.000 1.114 69 M CB -0.369 32.455 32.600 0.373 0.000 1.361 69 M HN 0.356 nan 8.290 nan 0.000 0.408 70 Y N 1.473 121.606 120.300 -0.278 0.000 2.128 70 Y HA -0.304 4.245 4.550 -0.000 0.000 0.284 70 Y C 1.846 177.550 175.900 -0.327 0.000 1.154 70 Y CA 2.285 59.992 58.100 -0.656 0.000 1.149 70 Y CB -0.557 37.623 38.460 -0.467 0.000 0.976 70 Y HN 0.332 nan 8.280 nan 0.000 0.505 71 D N -0.697 119.650 120.400 -0.090 0.000 2.149 71 D HA -0.169 4.471 4.640 -0.000 0.000 0.198 71 D C 2.080 178.300 176.300 -0.133 0.000 0.990 71 D CA 2.013 55.974 54.000 -0.066 0.000 0.839 71 D CB -0.384 40.510 40.800 0.156 0.000 0.948 71 D HN 0.420 nan 8.370 nan 0.000 0.460 72 T N 0.395 114.874 114.554 -0.125 0.000 2.732 72 T HA -0.065 4.285 4.350 -0.000 0.000 0.261 72 T C 2.320 176.902 174.700 -0.196 0.000 1.040 72 T CA 0.696 62.729 62.100 -0.112 0.000 1.145 72 T CB -0.399 68.392 68.868 -0.128 0.000 0.866 72 T HN -0.054 nan 8.240 nan 0.000 0.427 73 V N 1.960 121.709 119.914 -0.275 0.000 2.282 73 V HA -0.234 3.886 4.120 -0.000 0.000 0.249 73 V C 2.526 178.231 176.094 -0.648 0.000 1.057 73 V CA 1.893 63.988 62.300 -0.342 0.000 1.032 73 V CB -0.572 31.093 31.823 -0.262 0.000 0.645 73 V HN 0.457 nan 8.190 nan 0.000 0.447 74 K N 0.191 120.134 120.400 -0.761 0.000 2.025 74 K HA -0.122 4.198 4.320 -0.000 0.000 0.207 74 K C 2.202 178.546 176.600 -0.428 0.000 1.049 74 K CA 1.598 57.392 56.287 -0.822 0.000 0.933 74 K CB -0.667 31.376 32.500 -0.762 0.000 0.714 74 K HN 0.469 nan 8.250 nan 0.000 0.438 75 G N 0.519 109.194 108.800 -0.208 0.000 2.462 75 G HA2 -0.275 3.684 3.960 -0.000 0.000 0.220 75 G HA3 -0.275 3.684 3.960 -0.000 0.000 0.220 75 G C 1.417 176.302 174.900 -0.025 0.000 1.121 75 G CA 1.224 46.326 45.100 0.003 0.000 0.758 75 G HN 0.521 nan 8.290 nan 0.000 0.559 76 S N -0.434 115.202 115.700 -0.107 0.000 2.603 76 S HA 0.081 4.551 4.470 -0.000 0.000 0.220 76 S C 0.992 175.568 174.600 -0.039 0.000 0.967 76 S CA 0.880 59.055 58.200 -0.042 0.000 0.920 76 S CB 0.064 63.241 63.200 -0.038 0.000 0.773 76 S HN 0.270 nan 8.310 nan 0.000 0.529 77 D N 0.392 120.726 120.400 -0.110 0.000 2.837 77 D HA -0.257 4.382 4.640 -0.000 0.000 0.230 77 D C -0.489 175.910 176.300 0.165 0.000 1.152 77 D CA 1.032 55.055 54.000 0.038 0.000 0.736 77 D CB -2.034 38.840 40.800 0.123 0.000 1.084 77 D HN 0.653 nan 8.370 nan 0.000 0.429 78 Y N -3.582 116.733 120.300 0.025 0.000 4.879 78 Y HA -0.339 4.211 4.550 -0.000 0.000 0.247 78 Y C 1.605 177.516 175.900 0.018 0.000 0.985 78 Y CA 1.164 59.280 58.100 0.028 0.000 2.000 78 Y CB -2.326 36.153 38.460 0.031 0.000 1.519 78 Y HN 0.492 nan 8.280 nan 0.000 0.613 79 I N -2.169 118.458 120.570 0.095 0.000 3.976 79 I HA 0.534 4.704 4.170 -0.000 0.000 0.337 79 I C 1.244 177.395 176.117 0.057 0.000 1.359 79 I CA 0.135 61.437 61.300 0.003 0.000 1.098 79 I CB 0.213 38.194 38.000 -0.032 0.000 1.027 79 I HN 0.140 nan 8.210 nan 0.000 0.394 80 G N 1.584 110.429 108.800 0.075 0.000 2.406 80 G HA2 0.137 4.097 3.960 -0.000 0.000 0.251 80 G HA3 0.137 4.097 3.960 -0.000 0.000 0.251 80 G C -0.609 174.361 174.900 0.116 0.000 1.271 80 G CA -0.306 44.852 45.100 0.097 0.000 0.859 80 G HN 0.244 nan 8.290 nan 0.000 0.540 81 D N 2.057 122.544 120.400 0.145 0.000 2.358 81 D HA 0.032 4.671 4.640 -0.000 0.000 0.258 81 D C 1.353 177.723 176.300 0.116 0.000 1.223 81 D CA 0.198 54.281 54.000 0.139 0.000 0.886 81 D CB 1.628 42.504 40.800 0.126 0.000 1.120 81 D HN 0.493 nan 8.370 nan 0.000 0.482 82 Q N 1.527 121.408 119.800 0.137 0.000 2.224 82 Q HA -0.136 4.204 4.340 -0.000 0.000 0.203 82 Q C 1.368 177.473 176.000 0.175 0.000 0.970 82 Q CA 0.887 56.793 55.803 0.171 0.000 0.865 82 Q CB 0.198 29.059 28.738 0.206 0.000 0.922 82 Q HN 0.542 nan 8.270 nan 0.000 0.445 83 D N 0.812 121.296 120.400 0.140 0.000 2.117 83 D HA -0.139 4.501 4.640 -0.000 0.000 0.198 83 D C 1.714 178.111 176.300 0.161 0.000 0.982 83 D CA 1.445 55.527 54.000 0.136 0.000 0.828 83 D CB -0.297 40.558 40.800 0.092 0.000 0.967 83 D HN 0.149 nan 8.370 nan 0.000 0.464 84 A N 0.804 123.708 122.820 0.141 0.000 1.929 84 A HA 0.035 4.355 4.320 -0.000 0.000 0.216 84 A C 2.572 180.323 177.584 0.278 0.000 1.176 84 A CA 0.862 53.019 52.037 0.200 0.000 0.628 84 A CB -0.696 18.350 19.000 0.078 0.000 0.816 84 A HN 0.277 nan 8.150 nan 0.000 0.444 85 I N -0.536 120.142 120.570 0.180 0.000 2.286 85 I HA -0.245 3.925 4.170 -0.000 0.000 0.248 85 I C 2.543 178.766 176.117 0.176 0.000 1.115 85 I CA 1.712 63.099 61.300 0.144 0.000 1.392 85 I CB -0.390 37.665 38.000 0.092 0.000 1.065 85 I HN 0.529 nan 8.210 nan 0.000 0.418 86 E N 0.787 121.123 120.200 0.227 0.000 2.051 86 E HA -0.296 4.053 4.350 -0.000 0.000 0.192 86 E C 2.294 178.925 176.600 0.052 0.000 0.991 86 E CA 1.499 58.044 56.400 0.242 0.000 0.799 86 E CB -0.215 29.648 29.700 0.272 0.000 0.748 86 E HN 0.490 nan 8.360 nan 0.000 0.449 87 Y N 0.814 121.111 120.300 -0.005 0.000 2.165 87 Y HA -0.248 4.302 4.550 -0.000 0.000 0.286 87 Y C 2.347 178.161 175.900 -0.143 0.000 1.155 87 Y CA 2.236 60.291 58.100 -0.075 0.000 1.164 87 Y CB -0.170 38.304 38.460 0.023 0.000 0.978 87 Y HN 0.077 nan 8.280 nan 0.000 0.513 88 M N -1.045 118.578 119.600 0.039 0.000 2.064 88 M HA -0.232 4.248 4.480 -0.000 0.000 0.260 88 M C 2.222 178.439 176.300 -0.138 0.000 1.073 88 M CA 2.351 57.588 55.300 -0.105 0.000 1.124 88 M CB -0.614 32.035 32.600 0.082 0.000 1.326 88 M HN 0.420 nan 8.290 nan 0.000 0.410 89 C N 0.528 119.799 119.300 -0.050 0.000 2.413 89 C HA -0.132 4.328 4.460 -0.000 0.000 0.277 89 C C 2.640 177.612 174.990 -0.030 0.000 1.265 89 C CA 1.295 60.352 59.018 0.064 0.000 1.752 89 C CB -1.203 26.621 27.740 0.140 0.000 1.998 89 C HN 0.594 nan 8.230 nan 0.000 0.489 90 K N 1.375 121.551 120.400 -0.374 0.000 2.001 90 K HA -0.098 4.222 4.320 -0.000 0.000 0.208 90 K C 1.934 178.199 176.600 -0.559 0.000 1.048 90 K CA 2.196 57.973 56.287 -0.850 0.000 0.932 90 K CB -0.880 30.813 32.500 -1.345 0.000 0.715 90 K HN 0.391 nan 8.250 nan 0.000 0.437 91 T N 0.195 114.414 114.554 -0.559 0.000 2.708 91 T HA -0.053 4.296 4.350 -0.000 0.000 0.266 91 T C 1.650 176.160 174.700 -0.317 0.000 1.037 91 T CA 1.404 63.203 62.100 -0.502 0.000 1.146 91 T CB -1.129 67.299 68.868 -0.735 0.000 0.865 91 T HN 0.518 nan 8.240 nan 0.000 0.435 92 G N 2.853 111.504 108.800 -0.249 0.000 3.086 92 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.290 92 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.290 92 G C -0.668 174.159 174.900 -0.122 0.000 1.055 92 G CA 1.788 46.809 45.100 -0.132 0.000 0.824 92 G HN 0.380 nan 8.290 nan 0.000 0.953 93 P HA -0.132 nan 4.420 nan 0.000 0.216 93 P C 1.744 178.967 177.300 -0.128 0.000 1.167 93 P CA 1.944 64.976 63.100 -0.115 0.000 0.914 93 P CB -0.193 31.445 31.700 -0.104 0.000 0.793 94 E N -0.564 119.548 120.200 -0.147 0.000 2.058 94 E HA -0.226 4.124 4.350 -0.000 0.000 0.194 94 E C 1.897 178.410 176.600 -0.144 0.000 0.997 94 E CA 1.421 57.729 56.400 -0.152 0.000 0.801 94 E CB -0.570 29.034 29.700 -0.160 0.000 0.746 94 E HN 0.065 nan 8.360 nan 0.000 0.450 95 A N 0.797 123.532 122.820 -0.141 0.000 2.019 95 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 95 A C 1.988 179.531 177.584 -0.070 0.000 1.164 95 A CA 1.039 53.009 52.037 -0.113 0.000 0.644 95 A CB -0.250 18.673 19.000 -0.128 0.000 0.805 95 A HN 0.307 nan 8.150 nan 0.000 0.449 96 I N -0.632 119.900 120.570 -0.064 0.000 2.731 96 I HA -0.020 4.149 4.170 -0.000 0.000 0.260 96 I C 2.301 178.421 176.117 0.005 0.000 1.138 96 I CA 0.591 61.887 61.300 -0.007 0.000 1.461 96 I CB -1.264 36.721 38.000 -0.026 0.000 1.128 96 I HN 0.260 nan 8.210 nan 0.000 0.438 97 L N 0.518 121.698 121.223 -0.071 0.000 2.079 97 L HA -0.230 4.109 4.340 -0.000 0.000 0.210 97 L C 2.464 179.279 176.870 -0.092 0.000 1.081 97 L CA 1.397 56.191 54.840 -0.078 0.000 0.752 97 L CB -0.550 41.417 42.059 -0.152 0.000 0.896 97 L HN 0.293 nan 8.230 nan 0.000 0.433 98 E N 0.480 120.595 120.200 -0.142 0.000 2.097 98 E HA -0.249 4.100 4.350 -0.000 0.000 0.196 98 E C 2.324 178.935 176.600 0.018 0.000 1.000 98 E CA 1.213 57.537 56.400 -0.127 0.000 0.804 98 E CB -0.035 29.604 29.700 -0.102 0.000 0.740 98 E HN 0.453 nan 8.360 nan 0.000 0.454 99 L N 0.679 121.944 121.223 0.069 0.000 2.056 99 L HA -0.162 4.178 4.340 -0.000 0.000 0.207 99 L C 2.761 179.739 176.870 0.181 0.000 1.078 99 L CA 1.001 55.907 54.840 0.110 0.000 0.749 99 L CB -0.494 41.642 42.059 0.129 0.000 0.901 99 L HN 0.196 nan 8.230 nan 0.000 0.433 100 E N 0.129 120.518 120.200 0.315 0.000 2.118 100 E HA -0.261 4.089 4.350 -0.000 0.000 0.195 100 E C 2.000 178.760 176.600 0.267 0.000 0.992 100 E CA 1.526 58.147 56.400 0.368 0.000 0.804 100 E CB -0.116 29.814 29.700 0.383 0.000 0.741 100 E HN 0.617 nan 8.360 nan 0.000 0.458 101 H N -1.054 118.055 119.070 0.065 0.000 2.491 101 H HA 0.008 4.563 4.556 -0.000 0.000 0.290 101 H C 1.919 177.257 175.328 0.015 0.000 1.050 101 H CA 0.815 56.881 56.048 0.029 0.000 1.309 101 H CB 0.140 29.909 29.762 0.011 0.000 1.392 101 H HN 0.200 nan 8.280 nan 0.000 0.554 102 M N -0.748 118.933 119.600 0.136 0.000 2.619 102 M HA 0.043 4.523 4.480 -0.000 0.000 0.251 102 M C 1.466 177.783 176.300 0.028 0.000 1.106 102 M CA 0.867 56.200 55.300 0.055 0.000 1.086 102 M CB 0.890 33.509 32.600 0.031 0.000 1.465 102 M HN 0.467 nan 8.290 nan 0.000 0.506 103 G N 0.873 109.697 108.800 0.040 0.000 2.211 103 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.201 103 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.201 103 G C 0.028 174.924 174.900 -0.006 0.000 0.997 103 G CA -0.575 44.534 45.100 0.015 0.000 0.652 103 G HN 0.376 nan 8.290 nan 0.000 0.500 104 L N 3.204 124.406 121.223 -0.035 0.000 2.737 104 L HA 0.221 4.561 4.340 -0.000 0.000 0.279 104 L C -1.134 175.622 176.870 -0.191 0.000 1.200 104 L CA -0.504 54.232 54.840 -0.173 0.000 0.952 104 L CB 0.566 42.426 42.059 -0.332 0.000 1.240 104 L HN 0.033 nan 8.230 nan 0.000 0.486 105 P HA 0.044 nan 4.420 nan 0.000 0.226 105 P C -0.475 176.799 177.300 -0.044 0.000 1.783 105 P CA -0.175 62.891 63.100 -0.056 0.000 0.980 105 P CB -0.387 31.296 31.700 -0.028 0.000 1.967 106 F N 0.581 120.558 119.950 0.046 0.000 2.595 106 F HA -0.016 4.511 4.527 -0.000 0.000 0.359 106 F C 1.722 177.559 175.800 0.061 0.000 1.147 106 F CA 0.801 58.836 58.000 0.059 0.000 1.341 106 F CB 0.042 39.075 39.000 0.056 0.000 1.104 106 F HN 0.082 nan 8.300 nan 0.000 0.603 107 S N 2.938 118.821 115.700 0.306 0.000 2.596 107 S HA 0.459 4.929 4.470 -0.000 0.000 0.260 107 S C 0.033 174.750 174.600 0.194 0.000 1.336 107 S CA -0.707 57.597 58.200 0.174 0.000 0.993 107 S CB 0.572 63.828 63.200 0.093 0.000 0.923 107 S HN 0.340 nan 8.310 nan 0.000 0.567 108 R N 0.283 120.843 120.500 0.100 0.000 2.744 108 R HA 0.499 4.839 4.340 -0.000 0.000 0.279 108 R C -0.770 175.585 176.300 0.092 0.000 0.977 108 R CA -0.640 55.523 56.100 0.104 0.000 0.906 108 R CB 0.869 31.209 30.300 0.066 0.000 1.197 108 R HN 0.501 nan 8.270 nan 0.000 0.463 109 L N 0.989 122.278 121.223 0.111 0.000 2.479 109 L HA 0.163 4.503 4.340 -0.000 0.000 0.249 109 L C 1.158 178.060 176.870 0.054 0.000 1.178 109 L CA -0.410 54.490 54.840 0.100 0.000 0.811 109 L CB 0.513 42.628 42.059 0.094 0.000 1.187 109 L HN 0.491 nan 8.230 nan 0.000 0.480 110 D N 0.215 120.643 120.400 0.046 0.000 2.149 110 D HA -0.186 4.454 4.640 -0.000 0.000 0.198 110 D C 1.345 177.659 176.300 0.024 0.000 0.990 110 D CA 1.454 55.471 54.000 0.029 0.000 0.839 110 D CB -0.173 40.643 40.800 0.028 0.000 0.948 110 D HN 0.636 nan 8.370 nan 0.000 0.460 111 D N -1.271 119.144 120.400 0.025 0.000 2.363 111 D HA 0.095 4.735 4.640 -0.000 0.000 0.220 111 D C 1.431 177.740 176.300 0.016 0.000 0.994 111 D CA 0.891 54.902 54.000 0.018 0.000 0.890 111 D CB -0.209 40.599 40.800 0.015 0.000 0.906 111 D HN 0.233 nan 8.370 nan 0.000 0.530 112 G N -0.352 108.461 108.800 0.022 0.000 2.148 112 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.203 112 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.203 112 G C 0.152 175.064 174.900 0.021 0.000 0.993 112 G CA -0.306 44.807 45.100 0.022 0.000 0.661 112 G HN 0.412 nan 8.290 nan 0.000 0.518 113 R N -0.551 119.960 120.500 0.018 0.000 2.596 113 R HA 0.654 4.994 4.340 -0.000 0.000 0.267 113 R C 0.793 177.092 176.300 -0.002 0.000 1.026 113 R CA -0.985 55.112 56.100 -0.004 0.000 1.087 113 R CB 1.024 31.310 30.300 -0.022 0.000 1.132 113 R HN 0.222 nan 8.270 nan 0.000 0.531 114 I N 2.461 122.988 120.570 -0.070 0.000 2.742 114 I HA -0.147 4.023 4.170 -0.000 0.000 0.287 114 I C 0.219 176.306 176.117 -0.050 0.000 1.186 114 I CA 0.335 61.560 61.300 -0.125 0.000 1.417 114 I CB -0.174 37.559 38.000 -0.445 0.000 1.377 114 I HN 0.443 nan 8.210 nan 0.000 0.556 115 Y N 7.868 128.134 120.300 -0.056 0.000 2.511 115 Y HA 0.096 4.645 4.550 -0.000 0.000 0.332 115 Y C -0.051 175.825 175.900 -0.040 0.000 1.177 115 Y CA 0.110 58.197 58.100 -0.021 0.000 1.422 115 Y CB 0.364 38.843 38.460 0.032 0.000 1.271 115 Y HN 0.515 nan 8.280 nan 0.000 0.550 116 Q N 6.083 125.445 119.800 -0.731 0.000 2.375 116 Q HA 0.482 4.821 4.340 -0.000 0.000 0.271 116 Q C -1.210 174.310 176.000 -0.800 0.000 1.074 116 Q CA -1.244 54.173 55.803 -0.643 0.000 0.808 116 Q CB 2.347 30.875 28.738 -0.349 0.000 1.327 116 Q HN 0.808 nan 8.270 nan 0.000 0.441 117 R N 0.614 120.820 120.500 -0.492 0.000 2.803 117 R HA 0.705 5.045 4.340 -0.000 0.000 0.276 117 R C -2.888 173.424 176.300 0.021 0.000 0.978 117 R CA -2.211 53.763 56.100 -0.210 0.000 0.939 117 R CB 0.981 31.270 30.300 -0.020 0.000 1.179 117 R HN 0.212 nan 8.270 nan 0.000 0.472 118 P HA 0.136 nan 4.420 nan 0.000 0.269 118 P C -1.314 176.151 177.300 0.274 0.000 1.215 118 P CA 0.033 63.218 63.100 0.143 0.000 0.780 118 P CB 0.309 32.066 31.700 0.096 0.000 0.898 119 F N -0.577 119.371 119.950 -0.003 0.000 2.741 119 F HA 0.500 5.027 4.527 -0.000 0.000 0.313 119 F C 0.240 176.026 175.800 -0.023 0.000 1.153 119 F CA -0.487 57.507 58.000 -0.009 0.000 0.931 119 F CB 1.120 40.115 39.000 -0.009 0.000 1.335 119 F HN 0.314 nan 8.300 nan 0.000 0.460 120 G N 0.583 109.345 108.800 -0.063 0.000 2.340 120 G HA2 0.424 4.384 3.960 -0.000 0.000 0.245 120 G HA3 0.424 4.384 3.960 -0.000 0.000 0.245 120 G C 0.566 175.476 174.900 0.016 0.000 1.294 120 G CA 0.384 45.428 45.100 -0.093 0.000 0.896 120 G HN 1.707 nan 8.290 nan 0.000 0.522 121 G N 1.235 110.024 108.800 -0.019 0.000 2.326 121 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.286 121 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.286 121 G C -0.012 174.975 174.900 0.145 0.000 1.096 121 G CA 0.178 45.325 45.100 0.078 0.000 1.003 121 G HN 0.896 nan 8.290 nan 0.000 0.503 122 Q N -0.014 119.865 119.800 0.132 0.000 2.294 122 Q HA 0.578 4.918 4.340 -0.000 0.000 0.264 122 Q C -0.193 175.864 176.000 0.094 0.000 0.992 122 Q CA -0.158 55.724 55.803 0.132 0.000 0.747 122 Q CB 2.111 30.927 28.738 0.129 0.000 1.262 122 Q HN 0.773 nan 8.270 nan 0.000 0.452 123 S N 1.627 117.375 115.700 0.080 0.000 2.599 123 S HA 0.656 5.126 4.470 -0.000 0.000 0.294 123 S C -0.690 173.808 174.600 -0.170 0.000 1.094 123 S CA -1.022 57.158 58.200 -0.032 0.000 0.931 123 S CB 2.042 65.234 63.200 -0.014 0.000 1.093 123 S HN 0.406 nan 8.310 nan 0.000 0.488 124 K N 1.026 121.193 120.400 -0.388 0.000 2.098 124 K HA 0.435 4.755 4.320 -0.000 0.000 0.258 124 K C -0.591 175.229 176.600 -1.300 0.000 0.973 124 K CA -0.820 54.885 56.287 -0.970 0.000 0.898 124 K CB 0.147 32.182 32.500 -0.774 0.000 1.057 124 K HN 0.799 nan 8.250 nan 0.000 0.447 125 N N 1.063 118.281 118.700 -2.469 0.000 2.714 125 N HA -0.207 4.533 4.740 -0.000 0.000 0.253 125 N C -1.285 173.865 175.510 -0.599 0.000 1.024 125 N CA 0.513 52.825 53.050 -1.231 0.000 0.726 125 N CB -1.743 36.414 38.487 -0.549 0.000 0.908 125 N HN 0.627 nan 8.380 nan 0.000 0.542 126 F N -1.609 117.872 119.950 -0.781 0.000 2.555 126 F HA -0.168 4.359 4.527 -0.000 0.000 0.252 126 F C 1.501 176.804 175.800 -0.828 0.000 1.036 126 F CA 0.982 58.413 58.000 -0.949 0.000 0.963 126 F CB -1.741 36.795 39.000 -0.774 0.000 1.076 126 F HN 0.557 nan 8.300 nan 0.000 0.832 127 G N -0.622 108.014 108.800 -0.273 0.000 2.131 127 G HA2 0.079 4.039 3.960 -0.000 0.000 0.223 127 G HA3 0.079 4.039 3.960 -0.000 0.000 0.223 127 G C 0.749 175.610 174.900 -0.064 0.000 0.990 127 G CA -0.064 45.062 45.100 0.042 0.000 0.671 127 G HN 1.364 nan 8.290 nan 0.000 0.521 128 G N -0.618 108.073 108.800 -0.181 0.000 3.137 128 G HA2 0.527 4.487 3.960 -0.000 0.000 0.163 128 G HA3 0.527 4.487 3.960 -0.000 0.000 0.163 128 G C 0.229 175.043 174.900 -0.143 0.000 1.602 128 G CA 0.329 45.322 45.100 -0.178 0.000 1.067 128 G HN 0.527 nan 8.290 nan 0.000 0.568 129 E N -0.080 120.014 120.200 -0.177 0.000 2.404 129 E HA 0.172 4.522 4.350 -0.000 0.000 0.261 129 E C 0.080 176.599 176.600 -0.134 0.000 1.074 129 E CA -0.266 56.051 56.400 -0.139 0.000 0.917 129 E CB 0.587 30.195 29.700 -0.154 0.000 0.965 129 E HN 0.316 nan 8.360 nan 0.000 0.433 130 Q N 1.698 121.447 119.800 -0.086 0.000 2.300 130 Q HA 0.216 4.556 4.340 -0.000 0.000 0.280 130 Q C -1.368 174.576 176.000 -0.093 0.000 1.033 130 Q CA 0.187 55.957 55.803 -0.055 0.000 0.903 130 Q CB 1.046 29.771 28.738 -0.021 0.000 1.195 130 Q HN 0.470 nan 8.270 nan 0.000 0.386 131 A N 3.161 125.961 122.820 -0.034 0.000 2.288 131 A HA 0.884 5.204 4.320 -0.000 0.000 0.328 131 A C -1.015 176.660 177.584 0.152 0.000 1.123 131 A CA -0.326 51.719 52.037 0.013 0.000 0.861 131 A CB 1.425 20.518 19.000 0.155 0.000 1.272 131 A HN 1.003 nan 8.150 nan 0.000 0.490 132 A N 0.653 123.684 122.820 0.351 0.000 2.763 132 A HA 0.567 4.887 4.320 -0.000 0.000 0.325 132 A C 0.152 177.766 177.584 0.051 0.000 1.209 132 A CA -0.477 51.661 52.037 0.169 0.000 0.764 132 A CB 0.035 19.110 19.000 0.125 0.000 1.120 132 A HN 1.005 nan 8.150 nan 0.000 0.463 133 R N 0.314 120.805 120.500 -0.014 0.000 2.629 133 R HA 0.235 4.575 4.340 -0.000 0.000 0.408 133 R C -0.793 175.384 176.300 -0.206 0.000 1.057 133 R CA -0.082 55.932 56.100 -0.143 0.000 1.119 133 R CB 0.176 30.392 30.300 -0.140 0.000 1.403 133 R HN 0.266 nan 8.270 nan 0.000 0.576 134 T N 1.729 116.160 114.554 -0.205 0.000 2.811 134 T HA 0.467 4.817 4.350 -0.000 0.000 0.309 134 T C -0.003 174.549 174.700 -0.246 0.000 1.005 134 T CA -0.291 61.637 62.100 -0.286 0.000 0.955 134 T CB 1.123 69.694 68.868 -0.496 0.000 0.970 134 T HN 0.403 nan 8.240 nan 0.000 0.496 135 A N 3.261 125.961 122.820 -0.201 0.000 2.440 135 A HA 0.756 5.076 4.320 -0.000 0.000 0.251 135 A C 0.395 178.031 177.584 0.088 0.000 1.089 135 A CA -0.499 51.453 52.037 -0.142 0.000 0.779 135 A CB 0.123 18.952 19.000 -0.285 0.000 1.022 135 A HN 1.003 nan 8.150 nan 0.000 0.492 136 A N 1.174 124.139 122.820 0.242 0.000 2.587 136 A HA 0.806 5.126 4.320 -0.000 0.000 0.293 136 A C -0.349 177.476 177.584 0.400 0.000 1.087 136 A CA 0.001 52.224 52.037 0.311 0.000 0.692 136 A CB 1.243 20.379 19.000 0.226 0.000 1.291 136 A HN 2.273 nan 8.150 nan 0.000 0.407 137 A N 1.089 124.045 122.820 0.225 0.000 2.316 137 A HA 0.783 5.103 4.320 -0.000 0.000 0.324 137 A C 0.875 178.523 177.584 0.108 0.000 1.375 137 A CA 0.723 52.846 52.037 0.143 0.000 0.882 137 A CB -0.704 18.307 19.000 0.017 0.000 1.152 137 A HN 2.846 nan 8.150 nan 0.000 0.512 138 A N 2.556 125.436 122.820 0.101 0.000 5.481 138 A HA -0.257 4.063 4.320 -0.000 0.000 0.318 138 A C 0.774 178.421 177.584 0.104 0.000 1.837 138 A CA 1.774 53.851 52.037 0.067 0.000 0.717 138 A CB -1.302 17.713 19.000 0.025 0.000 1.349 138 A HN 1.605 nan 8.150 nan 0.000 0.388 139 D N -0.526 119.917 120.400 0.072 0.000 2.670 139 D HA 0.332 4.972 4.640 -0.000 0.000 0.255 139 D C 0.590 176.924 176.300 0.058 0.000 1.286 139 D CA 0.004 54.054 54.000 0.083 0.000 0.830 139 D CB -0.155 40.690 40.800 0.074 0.000 1.065 139 D HN 0.568 nan 8.370 nan 0.000 0.486 140 R N -0.271 120.261 120.500 0.053 0.000 2.629 140 R HA 0.190 4.530 4.340 -0.000 0.000 0.386 140 R C 0.714 177.067 176.300 0.088 0.000 1.071 140 R CA -0.121 56.008 56.100 0.048 0.000 1.104 140 R CB 0.375 30.675 30.300 -0.001 0.000 1.370 140 R HN 0.014 nan 8.270 nan 0.000 0.574 141 T N 0.498 115.092 114.554 0.067 0.000 2.665 141 T HA -0.174 4.176 4.350 -0.000 0.000 0.268 141 T C 2.011 176.725 174.700 0.024 0.000 1.035 141 T CA 2.028 64.149 62.100 0.035 0.000 1.151 141 T CB -0.248 68.647 68.868 0.045 0.000 0.862 141 T HN 0.543 nan 8.240 nan 0.000 0.438 142 G N 0.528 109.350 108.800 0.037 0.000 2.469 142 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.219 142 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.219 142 G C 1.248 176.172 174.900 0.040 0.000 1.150 142 G CA 1.605 46.715 45.100 0.016 0.000 0.763 142 G HN 0.697 nan 8.290 nan 0.000 0.561 143 H N 0.967 120.037 119.070 0.001 0.000 2.319 143 H HA 0.106 4.662 4.556 -0.000 0.000 0.299 143 H C 2.689 178.074 175.328 0.094 0.000 1.092 143 H CA 2.152 58.241 56.048 0.068 0.000 1.302 143 H CB -0.269 29.542 29.762 0.082 0.000 1.373 143 H HN 0.293 nan 8.280 nan 0.000 0.497 144 A N 0.664 123.537 122.820 0.089 0.000 1.902 144 A HA -0.115 4.205 4.320 -0.000 0.000 0.217 144 A C 2.430 179.952 177.584 -0.104 0.000 1.181 144 A CA 1.556 53.574 52.037 -0.032 0.000 0.623 144 A CB -0.978 17.982 19.000 -0.066 0.000 0.818 144 A HN 0.519 nan 8.150 nan 0.000 0.443 145 L N -0.900 120.260 121.223 -0.104 0.000 1.994 145 L HA -0.119 4.220 4.340 -0.000 0.000 0.208 145 L C 2.259 179.081 176.870 -0.080 0.000 1.071 145 L CA 2.127 56.907 54.840 -0.099 0.000 0.745 145 L CB -0.567 41.452 42.059 -0.066 0.000 0.892 145 L HN 0.313 nan 8.230 nan 0.000 0.431 146 L N -0.821 120.341 121.223 -0.102 0.000 2.027 146 L HA -0.207 4.133 4.340 -0.000 0.000 0.206 146 L C 2.454 179.223 176.870 -0.169 0.000 1.074 146 L CA 1.940 56.693 54.840 -0.146 0.000 0.745 146 L CB -0.753 41.181 42.059 -0.209 0.000 0.898 146 L HN 0.412 nan 8.230 nan 0.000 0.433 147 H N -1.745 117.230 119.070 -0.159 0.000 2.421 147 H HA -0.124 4.431 4.556 -0.000 0.000 0.298 147 H C 2.019 177.330 175.328 -0.027 0.000 1.087 147 H CA 1.867 57.849 56.048 -0.111 0.000 1.330 147 H CB -0.086 29.524 29.762 -0.254 0.000 1.388 147 H HN 0.340 nan 8.280 nan 0.000 0.526 148 T N 0.355 114.930 114.554 0.036 0.000 2.737 148 T HA -0.115 4.235 4.350 -0.000 0.000 0.265 148 T C 2.100 176.803 174.700 0.004 0.000 1.038 148 T CA 1.047 63.151 62.100 0.007 0.000 1.144 148 T CB -0.285 68.559 68.868 -0.039 0.000 0.866 148 T HN 0.211 nan 8.240 nan 0.000 0.434 149 L N -0.290 120.929 121.223 -0.007 0.000 2.131 149 L HA -0.085 4.255 4.340 -0.000 0.000 0.210 149 L C 2.357 179.228 176.870 0.001 0.000 1.092 149 L CA 1.235 56.066 54.840 -0.014 0.000 0.759 149 L CB -0.486 41.560 42.059 -0.022 0.000 0.903 149 L HN 0.278 nan 8.230 nan 0.000 0.435 150 Y N 0.913 121.152 120.300 -0.103 0.000 2.163 150 Y HA -0.262 4.288 4.550 -0.000 0.000 0.288 150 Y C 2.641 178.503 175.900 -0.064 0.000 1.136 150 Y CA 1.557 59.592 58.100 -0.109 0.000 1.147 150 Y CB -0.235 38.141 38.460 -0.140 0.000 0.987 150 Y HN 0.176 nan 8.280 nan 0.000 0.509 151 Q N -0.452 119.316 119.800 -0.053 0.000 2.135 151 Q HA -0.243 4.096 4.340 -0.000 0.000 0.204 151 Q C 2.159 178.056 176.000 -0.170 0.000 0.981 151 Q CA 1.567 57.296 55.803 -0.122 0.000 0.856 151 Q CB -0.205 28.528 28.738 -0.009 0.000 0.902 151 Q HN 0.479 nan 8.270 nan 0.000 0.425 152 Q N 0.419 120.146 119.800 -0.121 0.000 2.124 152 Q HA -0.100 4.240 4.340 -0.000 0.000 0.202 152 Q C 1.690 177.591 176.000 -0.165 0.000 0.977 152 Q CA 1.000 56.732 55.803 -0.118 0.000 0.850 152 Q CB -0.285 28.409 28.738 -0.074 0.000 0.901 152 Q HN 0.450 nan 8.270 nan 0.000 0.429 153 N N 0.262 118.840 118.700 -0.204 0.000 2.188 153 N HA -0.051 4.689 4.740 -0.000 0.000 0.184 153 N C 1.982 177.314 175.510 -0.296 0.000 1.018 153 N CA 0.553 53.468 53.050 -0.226 0.000 0.858 153 N CB 0.017 38.376 38.487 -0.214 0.000 0.989 153 N HN 0.224 nan 8.380 nan 0.000 0.426 154 L N 1.406 122.379 121.223 -0.417 0.000 1.976 154 L HA -0.171 4.169 4.340 -0.000 0.000 0.209 154 L C 2.579 179.244 176.870 -0.341 0.000 1.071 154 L CA 1.262 55.877 54.840 -0.376 0.000 0.746 154 L CB -0.468 41.354 42.059 -0.395 0.000 0.890 154 L HN 0.142 nan 8.230 nan 0.000 0.432 155 K N 0.219 120.436 120.400 -0.304 0.000 2.113 155 K HA -0.260 4.060 4.320 -0.000 0.000 0.208 155 K C 1.698 178.021 176.600 -0.462 0.000 1.047 155 K CA 1.741 57.830 56.287 -0.330 0.000 0.928 155 K CB -0.143 32.237 32.500 -0.199 0.000 0.716 155 K HN 0.302 nan 8.250 nan 0.000 0.446 156 N N -0.298 118.204 118.700 -0.331 0.000 2.322 156 N HA -0.085 4.655 4.740 -0.000 0.000 0.194 156 N C -0.713 174.714 175.510 -0.138 0.000 1.126 156 N CA 0.161 53.079 53.050 -0.221 0.000 0.845 156 N CB 0.196 38.606 38.487 -0.128 0.000 0.976 156 N HN 0.265 nan 8.380 nan 0.000 0.475 157 H N -0.479 118.545 119.070 -0.076 0.000 2.741 157 H HA -0.130 4.426 4.556 -0.000 0.000 0.305 157 H C -0.371 174.919 175.328 -0.063 0.000 1.169 157 H CA 0.838 56.847 56.048 -0.065 0.000 1.144 157 H CB -2.397 27.339 29.762 -0.042 0.000 1.397 157 H HN 0.152 nan 8.280 nan 0.000 0.409 158 T N 1.286 115.835 114.554 -0.008 0.000 2.940 158 T HA 0.087 4.437 4.350 -0.000 0.000 0.309 158 T C 0.947 175.630 174.700 -0.027 0.000 1.056 158 T CA 0.304 62.388 62.100 -0.028 0.000 1.137 158 T CB 0.650 69.474 68.868 -0.074 0.000 0.976 158 T HN 0.234 nan 8.240 nan 0.000 0.547 159 T N 4.997 119.537 114.554 -0.023 0.000 2.743 159 T HA 0.299 4.649 4.350 -0.000 0.000 0.290 159 T C 0.303 174.950 174.700 -0.088 0.000 0.908 159 T CA 0.005 62.074 62.100 -0.053 0.000 1.092 159 T CB -0.470 68.411 68.868 0.022 0.000 0.882 159 T HN 0.352 nan 8.240 nan 0.000 0.531 160 I N 3.949 124.443 120.570 -0.127 0.000 2.355 160 I HA 0.336 4.506 4.170 -0.000 0.000 0.288 160 I C -0.484 175.551 176.117 -0.136 0.000 0.999 160 I CA -0.755 60.501 61.300 -0.074 0.000 1.163 160 I CB 1.195 39.182 38.000 -0.021 0.000 1.316 160 I HN 0.540 nan 8.210 nan 0.000 0.454 161 F N 4.938 124.802 119.950 -0.145 0.000 2.406 161 F HA 0.199 4.725 4.527 -0.000 0.000 0.358 161 F C 1.125 176.977 175.800 0.086 0.000 1.161 161 F CA -0.177 57.732 58.000 -0.152 0.000 1.185 161 F CB 0.841 39.476 39.000 -0.609 0.000 1.421 161 F HN 0.402 nan 8.300 nan 0.000 0.576 162 S N 2.465 118.362 115.700 0.330 0.000 2.580 162 S HA 0.158 4.628 4.470 -0.000 0.000 0.274 162 S C 0.420 175.302 174.600 0.471 0.000 1.329 162 S CA -0.303 58.097 58.200 0.334 0.000 1.036 162 S CB 0.324 63.709 63.200 0.308 0.000 0.919 162 S HN 0.744 nan 8.310 nan 0.000 0.515 163 E N 1.349 121.753 120.200 0.340 0.000 2.252 163 E HA -0.200 4.150 4.350 -0.000 0.000 0.218 163 E C -1.668 175.058 176.600 0.209 0.000 1.253 163 E CA 0.690 57.238 56.400 0.247 0.000 0.705 163 E CB -1.133 28.697 29.700 0.217 0.000 1.172 163 E HN 0.560 nan 8.360 nan 0.000 0.369 164 W N 0.661 122.023 121.300 0.102 0.000 2.587 164 W HA 0.433 5.093 4.660 -0.000 0.000 0.324 164 W C -0.214 176.346 176.519 0.068 0.000 1.040 164 W CA -0.688 56.718 57.345 0.100 0.000 1.222 164 W CB 0.856 30.377 29.460 0.102 0.000 1.381 164 W HN 0.183 nan 8.180 nan 0.000 0.483 165 Y N 3.244 123.622 120.300 0.129 0.000 2.353 165 Y HA 0.635 5.185 4.550 -0.000 0.000 0.340 165 Y C 0.306 176.254 175.900 0.079 0.000 0.972 165 Y CA -1.049 57.081 58.100 0.051 0.000 1.157 165 Y CB 0.496 38.937 38.460 -0.032 0.000 1.157 165 Y HN 0.520 nan 8.280 nan 0.000 0.495 166 A N 7.228 129.856 122.820 -0.320 0.000 2.492 166 A HA 0.220 4.540 4.320 -0.000 0.000 0.254 166 A C 0.283 177.734 177.584 -0.221 0.000 1.091 166 A CA -0.088 51.824 52.037 -0.209 0.000 0.768 166 A CB 0.076 18.931 19.000 -0.241 0.000 1.028 166 A HN 1.096 nan 8.150 nan 0.000 0.498 167 L N 1.567 122.828 121.223 0.063 0.000 2.051 167 L HA 0.201 4.541 4.340 -0.000 0.000 0.202 167 L C 0.381 177.302 176.870 0.084 0.000 1.097 167 L CA 0.714 55.647 54.840 0.155 0.000 0.762 167 L CB -0.082 42.090 42.059 0.187 0.000 0.913 167 L HN 0.598 nan 8.230 nan 0.000 0.447 168 D N -1.508 118.936 120.400 0.073 0.000 2.655 168 D HA 0.397 5.037 4.640 -0.000 0.000 0.229 168 D C -0.939 175.389 176.300 0.047 0.000 1.229 168 D CA -0.512 53.519 54.000 0.052 0.000 0.807 168 D CB 2.591 43.426 40.800 0.058 0.000 1.514 168 D HN -0.127 nan 8.370 nan 0.000 0.444 169 L N 0.554 121.798 121.223 0.034 0.000 2.482 169 L HA 0.247 4.586 4.340 -0.000 0.000 0.273 169 L C 0.075 176.965 176.870 0.033 0.000 1.228 169 L CA -0.260 54.605 54.840 0.041 0.000 0.827 169 L CB 0.476 42.553 42.059 0.030 0.000 1.099 169 L HN 0.025 nan 8.230 nan 0.000 0.494 170 V N 2.260 122.202 119.914 0.046 0.000 2.417 170 V HA 0.347 4.467 4.120 -0.000 0.000 0.291 170 V C -0.100 176.002 176.094 0.014 0.000 1.024 170 V CA -0.826 61.472 62.300 -0.004 0.000 0.861 170 V CB 1.578 33.356 31.823 -0.074 0.000 0.985 170 V HN 0.616 nan 8.190 nan 0.000 0.436 171 K N 3.844 124.238 120.400 -0.010 0.000 2.182 171 K HA 0.441 4.761 4.320 -0.000 0.000 0.262 171 K C -0.223 176.374 176.600 -0.004 0.000 0.957 171 K CA -0.714 55.574 56.287 0.001 0.000 0.842 171 K CB 1.566 34.063 32.500 -0.005 0.000 1.099 171 K HN 0.853 nan 8.250 nan 0.000 0.438 172 N N 1.277 119.984 118.700 0.012 0.000 2.408 172 N HA -0.078 4.662 4.740 -0.000 0.000 0.260 172 N C 0.448 175.958 175.510 0.001 0.000 1.242 172 N CA -0.194 52.862 53.050 0.010 0.000 0.959 172 N CB 0.447 38.949 38.487 0.025 0.000 1.201 172 N HN 0.569 nan 8.380 nan 0.000 0.511 173 Q N -1.758 118.042 119.800 -0.000 0.000 2.557 173 Q HA 0.010 4.350 4.340 -0.000 0.000 0.217 173 Q C -0.566 175.432 176.000 -0.004 0.000 0.978 173 Q CA 1.042 56.842 55.803 -0.004 0.000 0.950 173 Q CB -0.151 28.585 28.738 -0.004 0.000 0.991 173 Q HN 0.478 nan 8.270 nan 0.000 0.533 174 D N -0.150 120.250 120.400 -0.001 0.000 2.398 174 D HA 0.133 4.773 4.640 -0.000 0.000 0.210 174 D C 0.914 177.210 176.300 -0.006 0.000 1.094 174 D CA 0.717 54.715 54.000 -0.003 0.000 0.839 174 D CB 0.898 41.699 40.800 0.001 0.000 0.963 174 D HN 0.468 nan 8.370 nan 0.000 0.506 175 G N 0.862 109.658 108.800 -0.006 0.000 2.176 175 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.253 175 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.253 175 G C 0.562 175.457 174.900 -0.008 0.000 0.979 175 G CA 0.221 45.315 45.100 -0.010 0.000 0.641 175 G HN 0.581 nan 8.290 nan 0.000 0.530 176 A N -0.264 122.556 122.820 0.001 0.000 2.340 176 A HA 0.723 5.043 4.320 -0.000 0.000 0.268 176 A C 0.497 178.095 177.584 0.023 0.000 1.100 176 A CA 0.075 52.116 52.037 0.008 0.000 0.803 176 A CB 1.221 20.231 19.000 0.016 0.000 1.043 176 A HN 1.104 nan 8.150 nan 0.000 0.488 177 V N 2.930 122.862 119.914 0.030 0.000 2.408 177 V HA 0.261 4.381 4.120 -0.000 0.000 0.267 177 V C 0.661 176.809 176.094 0.091 0.000 1.047 177 V CA 0.204 62.537 62.300 0.054 0.000 0.937 177 V CB 0.983 32.835 31.823 0.048 0.000 0.999 177 V HN 0.927 nan 8.190 nan 0.000 0.472 178 V N 2.531 122.515 119.914 0.117 0.000 2.887 178 V HA 0.889 5.009 4.120 -0.000 0.000 0.370 178 V C 0.598 176.840 176.094 0.247 0.000 1.322 178 V CA 0.345 62.742 62.300 0.161 0.000 1.267 178 V CB -0.613 31.307 31.823 0.162 0.000 1.344 178 V HN 1.252 nan 8.190 nan 0.000 0.573 179 G N -0.365 108.565 108.800 0.216 0.000 2.342 179 G HA2 0.201 4.160 3.960 -0.000 0.000 0.220 179 G HA3 0.201 4.160 3.960 -0.000 0.000 0.220 179 G C -0.449 174.611 174.900 0.267 0.000 1.243 179 G CA 0.170 45.425 45.100 0.258 0.000 1.083 179 G HN 2.093 nan 8.290 nan 0.000 0.500 180 C N -1.931 117.571 119.300 0.336 0.000 3.312 180 C HA 0.941 5.401 4.460 -0.000 0.000 0.332 180 C C 0.332 175.539 174.990 0.362 0.000 1.340 180 C CA 0.434 59.603 59.018 0.252 0.000 1.265 180 C CB 1.162 28.973 27.740 0.118 0.000 1.563 180 C HN 2.305 nan 8.230 nan 0.000 0.471 181 T N 0.506 115.211 114.554 0.252 0.000 2.909 181 T HA 0.781 5.131 4.350 -0.000 0.000 0.286 181 T C -0.071 174.801 174.700 0.287 0.000 1.002 181 T CA 0.334 62.606 62.100 0.286 0.000 1.074 181 T CB 1.337 70.310 68.868 0.175 0.000 0.984 181 T HN 2.358 nan 8.240 nan 0.000 0.495 182 A N 2.023 125.082 122.820 0.399 0.000 2.539 182 A HA 0.714 5.034 4.320 -0.000 0.000 0.296 182 A C -1.287 176.570 177.584 0.455 0.000 1.073 182 A CA -0.997 51.292 52.037 0.420 0.000 0.700 182 A CB 1.687 20.967 19.000 0.466 0.000 1.296 182 A HN 1.012 nan 8.150 nan 0.000 0.405 183 L N 2.108 123.532 121.223 0.334 0.000 2.298 183 L HA 0.584 4.923 4.340 -0.000 0.000 0.284 183 L C -0.109 176.683 176.870 -0.130 0.000 1.013 183 L CA -0.483 54.428 54.840 0.118 0.000 0.824 183 L CB 0.914 43.016 42.059 0.072 0.000 1.221 183 L HN 0.864 nan 8.230 nan 0.000 0.418 184 C N 6.464 125.393 119.300 -0.619 0.000 2.663 184 C HA 0.215 4.675 4.460 -0.000 0.000 0.398 184 C C 1.906 176.522 174.990 -0.623 0.000 1.356 184 C CA -0.356 57.889 59.018 -1.289 0.000 1.629 184 C CB -1.544 25.157 27.740 -1.731 0.000 2.402 184 C HN 0.978 nan 8.230 nan 0.000 0.598 185 I N 3.470 123.737 120.570 -0.504 0.000 2.264 185 I HA -0.158 4.012 4.170 -0.000 0.000 0.248 185 I C 2.547 178.406 176.117 -0.429 0.000 1.111 185 I CA 1.840 62.854 61.300 -0.477 0.000 1.382 185 I CB -0.381 37.271 38.000 -0.580 0.000 1.060 185 I HN 0.843 nan 8.210 nan 0.000 0.418 186 E N 0.700 120.763 120.200 -0.228 0.000 2.031 186 E HA -0.257 4.093 4.350 -0.000 0.000 0.193 186 E C 2.111 178.717 176.600 0.009 0.000 0.994 186 E CA 2.247 58.696 56.400 0.081 0.000 0.800 186 E CB 0.034 29.821 29.700 0.145 0.000 0.752 186 E HN 0.543 nan 8.360 nan 0.000 0.447 187 T N -4.051 110.450 114.554 -0.089 0.000 3.037 187 T HA 0.287 4.637 4.350 -0.000 0.000 0.252 187 T C 1.472 176.123 174.700 -0.081 0.000 1.073 187 T CA 0.840 62.906 62.100 -0.056 0.000 1.091 187 T CB 0.679 69.525 68.868 -0.037 0.000 0.935 187 T HN 0.395 nan 8.240 nan 0.000 0.488 188 G N 1.198 109.907 108.800 -0.151 0.000 2.175 188 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.244 188 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.244 188 G C -0.132 174.708 174.900 -0.100 0.000 0.982 188 G CA 0.202 45.228 45.100 -0.124 0.000 0.641 188 G HN 0.844 nan 8.290 nan 0.000 0.527 189 E N 0.317 120.450 120.200 -0.111 0.000 2.413 189 E HA 0.382 4.732 4.350 -0.000 0.000 0.263 189 E C -0.154 176.441 176.600 -0.008 0.000 1.015 189 E CA -0.116 56.263 56.400 -0.036 0.000 0.916 189 E CB 0.699 30.405 29.700 0.010 0.000 0.947 189 E HN 0.145 nan 8.360 nan 0.000 0.440 190 V N 5.224 125.185 119.914 0.078 0.000 2.417 190 V HA 0.352 4.472 4.120 -0.000 0.000 0.291 190 V C -0.278 175.937 176.094 0.202 0.000 1.024 190 V CA -0.563 61.826 62.300 0.147 0.000 0.861 190 V CB 1.699 33.587 31.823 0.109 0.000 0.985 190 V HN 0.483 nan 8.190 nan 0.000 0.436 191 V N 4.186 124.281 119.914 0.302 0.000 3.040 191 V HA 0.450 4.570 4.120 -0.000 0.000 0.312 191 V C -1.346 174.874 176.094 0.210 0.000 1.115 191 V CA -0.966 61.452 62.300 0.197 0.000 0.998 191 V CB 2.372 34.250 31.823 0.092 0.000 1.042 191 V HN 0.725 nan 8.190 nan 0.000 0.433 192 Y N 2.794 123.057 120.300 -0.062 0.000 2.369 192 Y HA 0.609 5.158 4.550 -0.000 0.000 0.337 192 Y C -0.885 174.924 175.900 -0.151 0.000 0.961 192 Y CA -2.123 55.964 58.100 -0.021 0.000 1.186 192 Y CB 0.664 39.120 38.460 -0.006 0.000 1.139 192 Y HN 0.458 nan 8.280 nan 0.000 0.494 193 F N 6.167 126.081 119.950 -0.060 0.000 2.444 193 F HA 0.305 4.832 4.527 0.000 0.000 0.360 193 F C 0.538 176.086 175.800 -0.420 0.000 1.106 193 F CA -0.209 57.647 58.000 -0.241 0.000 1.170 193 F CB 0.730 39.622 39.000 -0.181 0.000 1.113 193 F HN 0.345 nan 8.300 nan 0.000 0.521 194 K N 3.582 123.701 120.400 -0.469 0.000 2.240 194 K HA 0.801 5.121 4.320 -0.000 0.000 0.271 194 K C -1.167 175.387 176.600 -0.076 0.000 1.018 194 K CA -0.412 55.595 56.287 -0.466 0.000 0.874 194 K CB 0.964 33.093 32.500 -0.619 0.000 1.098 194 K HN 0.741 nan 8.250 nan 0.000 0.458 195 A N 3.941 126.779 122.820 0.031 0.000 2.539 195 A HA 0.403 4.723 4.320 -0.000 0.000 0.296 195 A C -0.180 177.451 177.584 0.077 0.000 1.073 195 A CA -0.836 51.245 52.037 0.072 0.000 0.700 195 A CB 1.507 20.560 19.000 0.087 0.000 1.296 195 A HN 0.917 nan 8.150 nan 0.000 0.405 196 R N 0.200 120.740 120.500 0.067 0.000 2.275 196 R HA 0.355 4.695 4.340 -0.000 0.000 0.199 196 R C 0.366 176.737 176.300 0.119 0.000 0.989 196 R CA 1.246 57.393 56.100 0.079 0.000 1.016 196 R CB 0.347 30.681 30.300 0.057 0.000 0.918 196 R HN 0.800 nan 8.270 nan 0.000 0.473 197 A N 0.345 123.219 122.820 0.089 0.000 2.547 197 A HA 0.334 4.654 4.320 -0.000 0.000 0.279 197 A C -0.909 176.706 177.584 0.051 0.000 1.088 197 A CA -0.668 51.426 52.037 0.095 0.000 0.796 197 A CB 1.182 20.055 19.000 -0.211 0.000 1.308 197 A HN -0.003 nan 8.150 nan 0.000 0.415 198 T N 2.335 116.993 114.554 0.174 0.000 2.738 198 T HA 0.439 4.789 4.350 -0.000 0.000 0.298 198 T C -0.110 174.685 174.700 0.158 0.000 0.962 198 T CA -0.145 62.019 62.100 0.107 0.000 0.972 198 T CB 0.776 69.706 68.868 0.104 0.000 0.928 198 T HN 0.445 nan 8.240 nan 0.000 0.474 199 V N 5.906 125.844 119.914 0.040 0.000 2.318 199 V HA 0.293 4.413 4.120 -0.000 0.000 0.271 199 V C 0.316 176.422 176.094 0.019 0.000 1.030 199 V CA -0.751 61.586 62.300 0.061 0.000 0.844 199 V CB 0.700 32.497 31.823 -0.043 0.000 1.015 199 V HN 0.780 nan 8.190 nan 0.000 0.460 200 L N 4.557 125.804 121.223 0.039 0.000 2.360 200 L HA 0.561 4.901 4.340 -0.000 0.000 0.276 200 L C 0.647 177.510 176.870 -0.011 0.000 1.121 200 L CA 0.114 54.950 54.840 -0.006 0.000 0.845 200 L CB 1.098 43.153 42.059 -0.007 0.000 1.143 200 L HN 0.773 nan 8.230 nan 0.000 0.452 201 A N 1.330 124.129 122.820 -0.034 0.000 3.415 201 A HA 0.275 4.594 4.320 -0.000 0.000 0.244 201 A C 0.536 178.097 177.584 -0.039 0.000 0.988 201 A CA -0.211 51.810 52.037 -0.026 0.000 0.991 201 A CB -0.007 18.980 19.000 -0.020 0.000 1.240 201 A HN 0.720 nan 8.150 nan 0.000 0.541 202 T N -2.840 111.685 114.554 -0.048 0.000 3.069 202 T HA 0.490 4.840 4.350 -0.000 0.000 0.252 202 T C 1.214 175.886 174.700 -0.047 0.000 1.053 202 T CA 0.918 62.984 62.100 -0.057 0.000 0.964 202 T CB -0.018 68.806 68.868 -0.074 0.000 1.005 202 T HN 2.158 nan 8.240 nan 0.000 0.532 203 G N 0.507 109.280 108.800 -0.046 0.000 2.642 203 G HA2 0.175 4.134 3.960 -0.000 0.000 0.231 203 G HA3 0.175 4.134 3.960 -0.000 0.000 0.231 203 G C 0.195 175.034 174.900 -0.102 0.000 1.338 203 G CA -0.488 44.579 45.100 -0.055 0.000 0.883 203 G HN 0.920 nan 8.290 nan 0.000 0.570 204 G N -1.748 106.978 108.800 -0.124 0.000 2.525 204 G HA2 0.709 4.669 3.960 -0.000 0.000 0.287 204 G HA3 0.709 4.669 3.960 -0.000 0.000 0.287 204 G C 0.579 175.452 174.900 -0.045 0.000 1.350 204 G CA 0.839 45.846 45.100 -0.155 0.000 1.039 204 G HN 2.171 nan 8.290 nan 0.000 0.513 205 A N -1.240 121.636 122.820 0.094 0.000 2.579 205 A HA 0.537 4.856 4.320 -0.000 0.000 0.254 205 A C 1.491 179.183 177.584 0.181 0.000 0.873 205 A CA 0.798 52.940 52.037 0.175 0.000 1.106 205 A CB 0.120 19.274 19.000 0.256 0.000 1.222 205 A HN 1.236 nan 8.150 nan 0.000 0.470 206 G N -0.050 108.811 108.800 0.100 0.000 2.653 206 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.212 206 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.212 206 G C 1.221 176.093 174.900 -0.046 0.000 1.138 206 G CA 0.320 45.415 45.100 -0.007 0.000 0.782 206 G HN 0.334 nan 8.290 nan 0.000 0.535 207 R N 0.349 120.821 120.500 -0.047 0.000 2.310 207 R HA 0.109 4.449 4.340 -0.000 0.000 0.202 207 R C 2.267 178.526 176.300 -0.068 0.000 0.933 207 R CA 0.120 56.194 56.100 -0.044 0.000 1.054 207 R CB -0.347 29.937 30.300 -0.027 0.000 0.985 207 R HN 0.742 nan 8.270 nan 0.000 0.489 208 I N -3.149 117.339 120.570 -0.137 0.000 3.334 208 I HA -0.003 4.167 4.170 -0.000 0.000 0.282 208 I C 0.128 175.992 176.117 -0.421 0.000 1.313 208 I CA 0.493 61.630 61.300 -0.271 0.000 1.396 208 I CB -0.209 37.564 38.000 -0.377 0.000 1.054 208 I HN -0.207 nan 8.210 nan 0.000 0.495 209 Y N 0.571 120.739 120.300 -0.219 0.000 2.565 209 Y HA 0.321 4.871 4.550 -0.000 0.000 0.325 209 Y C 1.532 177.379 175.900 -0.088 0.000 1.221 209 Y CA -0.450 57.557 58.100 -0.156 0.000 1.316 209 Y CB 0.730 39.087 38.460 -0.171 0.000 1.404 209 Y HN -0.159 nan 8.280 nan 0.000 0.527 210 Q N -0.236 119.654 119.800 0.149 0.000 2.373 210 Q HA 0.127 4.467 4.340 -0.000 0.000 0.210 210 Q C -0.319 175.728 176.000 0.078 0.000 0.913 210 Q CA 0.296 56.141 55.803 0.071 0.000 0.911 210 Q CB 0.584 29.349 28.738 0.046 0.000 1.040 210 Q HN 0.447 nan 8.270 nan 0.000 0.521 211 S N -0.319 115.446 115.700 0.107 0.000 2.594 211 S HA 0.549 5.018 4.470 -0.000 0.000 0.296 211 S C -1.142 173.483 174.600 0.043 0.000 1.124 211 S CA -0.437 57.804 58.200 0.069 0.000 1.011 211 S CB 1.838 65.091 63.200 0.089 0.000 1.016 211 S HN 0.183 nan 8.310 nan 0.000 0.485 212 T N 1.222 115.774 114.554 -0.004 0.000 2.853 212 T HA 0.448 4.798 4.350 -0.000 0.000 0.311 212 T C 1.014 175.692 174.700 -0.037 0.000 1.307 212 T CA 0.127 62.208 62.100 -0.033 0.000 1.019 212 T CB 1.271 70.101 68.868 -0.063 0.000 1.264 212 T HN 0.719 nan 8.240 nan 0.000 0.497 213 T N 0.352 114.911 114.554 0.009 0.000 3.088 213 T HA 0.204 4.553 4.350 -0.000 0.000 0.259 213 T C 0.669 175.377 174.700 0.013 0.000 1.122 213 T CA 0.135 62.263 62.100 0.046 0.000 1.095 213 T CB -0.646 68.350 68.868 0.214 0.000 0.930 213 T HN 0.594 nan 8.240 nan 0.000 0.508 214 N N 1.552 120.176 118.700 -0.127 0.000 2.508 214 N HA 0.468 5.208 4.740 -0.000 0.000 0.264 214 N C 0.204 175.524 175.510 -0.317 0.000 1.216 214 N CA -0.479 52.333 53.050 -0.397 0.000 0.943 214 N CB 0.621 38.886 38.487 -0.370 0.000 1.113 214 N HN 0.424 nan 8.380 nan 0.000 0.447 215 A N 1.187 123.774 122.820 -0.388 0.000 2.429 215 A HA -0.042 4.278 4.320 -0.000 0.000 0.242 215 A C 1.025 178.527 177.584 -0.137 0.000 1.088 215 A CA -0.061 51.903 52.037 -0.122 0.000 0.784 215 A CB 0.102 19.150 19.000 0.080 0.000 1.038 215 A HN 0.798 nan 8.150 nan 0.000 0.501 216 H N 0.765 119.827 119.070 -0.013 0.000 2.489 216 H HA -0.142 4.414 4.556 -0.000 0.000 0.295 216 H C 1.694 177.014 175.328 -0.013 0.000 1.082 216 H CA 2.205 58.246 56.048 -0.011 0.000 1.295 216 H CB -0.086 29.681 29.762 0.009 0.000 1.380 216 H HN 0.722 nan 8.280 nan 0.000 0.548 217 I N -1.438 119.194 120.570 0.103 0.000 3.684 217 I HA 0.047 4.217 4.170 -0.000 0.000 0.304 217 I C -0.275 175.856 176.117 0.025 0.000 1.278 217 I CA 0.145 61.489 61.300 0.074 0.000 1.272 217 I CB -0.108 37.941 38.000 0.082 0.000 1.029 217 I HN -0.179 nan 8.210 nan 0.000 0.458 218 N N 2.508 121.190 118.700 -0.030 0.000 2.807 218 N HA 0.121 4.861 4.740 -0.000 0.000 0.259 218 N C 0.533 176.031 175.510 -0.019 0.000 1.149 218 N CA 0.267 53.280 53.050 -0.061 0.000 1.042 218 N CB 0.481 38.868 38.487 -0.166 0.000 1.367 218 N HN 0.383 nan 8.380 nan 0.000 0.516 219 T N -2.738 111.822 114.554 0.010 0.000 3.266 219 T HA 0.274 4.624 4.350 -0.000 0.000 0.278 219 T C 1.138 175.857 174.700 0.031 0.000 1.010 219 T CA -0.315 61.800 62.100 0.026 0.000 0.909 219 T CB -0.190 68.705 68.868 0.045 0.000 1.122 219 T HN 0.366 nan 8.240 nan 0.000 0.536 220 G N 2.196 111.010 108.800 0.025 0.000 2.361 220 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.294 220 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.294 220 G C 0.620 175.526 174.900 0.011 0.000 1.004 220 G CA 0.474 45.587 45.100 0.022 0.000 0.870 220 G HN 0.541 nan 8.290 nan 0.000 0.510 221 D N -0.046 120.355 120.400 0.001 0.000 2.228 221 D HA -0.120 4.520 4.640 -0.000 0.000 0.203 221 D C 2.369 178.649 176.300 -0.033 0.000 0.988 221 D CA 1.634 55.627 54.000 -0.012 0.000 0.864 221 D CB -0.497 40.259 40.800 -0.074 0.000 0.928 221 D HN 0.572 nan 8.370 nan 0.000 0.469 222 G N 0.485 109.261 108.800 -0.040 0.000 2.394 222 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.215 222 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.215 222 G C 1.898 176.785 174.900 -0.021 0.000 1.165 222 G CA 0.430 45.505 45.100 -0.041 0.000 0.784 222 G HN 0.227 nan 8.290 nan 0.000 0.535 223 V N 1.665 121.570 119.914 -0.014 0.000 2.295 223 V HA -0.072 4.048 4.120 -0.000 0.000 0.246 223 V C 3.128 179.235 176.094 0.021 0.000 1.049 223 V CA 2.038 64.338 62.300 -0.000 0.000 1.024 223 V CB -1.098 30.727 31.823 0.003 0.000 0.648 223 V HN 0.413 nan 8.190 nan 0.000 0.447 224 G N -0.724 108.092 108.800 0.026 0.000 2.433 224 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.216 224 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.216 224 G C 1.648 176.571 174.900 0.038 0.000 1.186 224 G CA 1.116 46.241 45.100 0.041 0.000 0.779 224 G HN 0.411 nan 8.290 nan 0.000 0.543 225 M N 0.740 120.353 119.600 0.021 0.000 2.149 225 M HA -0.026 4.453 4.480 -0.000 0.000 0.261 225 M C 2.997 179.307 176.300 0.017 0.000 1.064 225 M CA 1.354 56.664 55.300 0.016 0.000 1.102 225 M CB -0.175 32.421 32.600 -0.007 0.000 1.369 225 M HN 0.347 nan 8.290 nan 0.000 0.408 226 A N 0.538 123.366 122.820 0.013 0.000 1.873 226 A HA -0.111 4.209 4.320 -0.000 0.000 0.215 226 A C 2.045 179.646 177.584 0.028 0.000 1.186 226 A CA 1.280 53.325 52.037 0.013 0.000 0.616 226 A CB -0.792 18.210 19.000 0.005 0.000 0.823 226 A HN 0.420 nan 8.150 nan 0.000 0.442 227 I N -0.706 119.895 120.570 0.052 0.000 2.163 227 I HA -0.293 3.877 4.170 -0.000 0.000 0.243 227 I C 2.707 178.856 176.117 0.054 0.000 1.085 227 I CA 1.493 62.843 61.300 0.083 0.000 1.347 227 I CB -0.332 37.749 38.000 0.135 0.000 1.044 227 I HN 0.300 nan 8.210 nan 0.000 0.408 228 R N 0.492 121.018 120.500 0.043 0.000 2.193 228 R HA -0.082 4.258 4.340 -0.000 0.000 0.229 228 R C 2.006 178.316 176.300 0.017 0.000 1.110 228 R CA 1.176 57.294 56.100 0.030 0.000 0.988 228 R CB -0.248 30.073 30.300 0.034 0.000 0.871 228 R HN 0.358 nan 8.270 nan 0.000 0.458 229 A N -0.178 122.651 122.820 0.015 0.000 2.251 229 A HA 0.243 4.563 4.320 -0.000 0.000 0.209 229 A C 1.339 178.920 177.584 -0.005 0.000 1.187 229 A CA 0.688 52.728 52.037 0.005 0.000 0.823 229 A CB 0.182 19.186 19.000 0.005 0.000 0.846 229 A HN 0.401 nan 8.150 nan 0.000 0.486 230 G N -1.517 107.280 108.800 -0.004 0.000 2.141 230 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.242 230 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.242 230 G C 0.054 174.938 174.900 -0.026 0.000 0.982 230 G CA 0.102 45.190 45.100 -0.020 0.000 0.662 230 G HN 0.773 nan 8.290 nan 0.000 0.527 231 V N 2.948 122.854 119.914 -0.013 0.000 2.407 231 V HA 0.469 4.588 4.120 -0.000 0.000 0.278 231 V C -1.197 174.895 176.094 -0.004 0.000 1.037 231 V CA -1.562 60.726 62.300 -0.020 0.000 0.900 231 V CB 1.553 33.363 31.823 -0.021 0.000 0.983 231 V HN 0.216 nan 8.190 nan 0.000 0.459 232 P HA 0.154 nan 4.420 nan 0.000 0.269 232 P C -0.545 176.774 177.300 0.032 0.000 1.215 232 P CA 0.203 63.304 63.100 0.002 0.000 0.780 232 P CB 1.035 32.716 31.700 -0.033 0.000 0.898 233 V N -0.585 119.388 119.914 0.098 0.000 2.919 233 V HA 0.680 4.800 4.120 -0.000 0.000 0.316 233 V C -0.456 175.664 176.094 0.044 0.000 1.077 233 V CA -0.922 61.409 62.300 0.052 0.000 0.977 233 V CB 1.574 33.426 31.823 0.049 0.000 1.039 233 V HN 0.652 nan 8.190 nan 0.000 0.441 234 Q N 0.368 120.159 119.800 -0.014 0.000 2.397 234 Q HA 0.390 4.730 4.340 -0.000 0.000 0.275 234 Q C -0.935 175.051 176.000 -0.023 0.000 1.090 234 Q CA -0.402 55.393 55.803 -0.014 0.000 0.809 234 Q CB 1.937 30.633 28.738 -0.070 0.000 1.362 234 Q HN 0.942 nan 8.270 nan 0.000 0.431 235 D N 3.047 123.469 120.400 0.036 0.000 2.737 235 D HA -0.197 4.443 4.640 -0.000 0.000 0.233 235 D C 0.633 176.907 176.300 -0.044 0.000 1.155 235 D CA 0.777 54.799 54.000 0.037 0.000 0.667 235 D CB -0.267 40.573 40.800 0.067 0.000 1.060 235 D HN 0.670 nan 8.370 nan 0.000 0.427 236 M N -0.270 119.302 119.600 -0.047 0.000 2.632 236 M HA -0.119 4.361 4.480 -0.000 0.000 0.256 236 M C 2.029 178.323 176.300 -0.010 0.000 1.080 236 M CA 1.144 56.393 55.300 -0.086 0.000 1.084 236 M CB -0.305 32.253 32.600 -0.070 0.000 1.439 236 M HN 0.288 nan 8.290 nan 0.000 0.509 237 E N -0.547 119.664 120.200 0.019 0.000 2.400 237 E HA -0.022 4.327 4.350 -0.000 0.000 0.195 237 E C 0.306 177.024 176.600 0.196 0.000 1.012 237 E CA 0.223 56.701 56.400 0.130 0.000 0.875 237 E CB -0.057 29.614 29.700 -0.048 0.000 0.859 237 E HN 0.281 nan 8.360 nan 0.000 0.498 238 M N 1.515 121.141 119.600 0.043 0.000 2.618 238 M HA 0.176 4.656 4.480 -0.000 0.000 0.322 238 M C -1.209 175.064 176.300 -0.046 0.000 1.471 238 M CA 0.252 55.590 55.300 0.064 0.000 1.450 238 M CB -1.441 31.178 32.600 0.032 0.000 1.444 238 M HN 0.068 nan 8.290 nan 0.000 0.471 239 W N 2.022 123.398 121.300 0.128 0.000 2.475 239 W HA 0.418 5.078 4.660 -0.000 0.000 0.317 239 W C 0.395 176.917 176.519 0.004 0.000 1.046 239 W CA -0.530 56.826 57.345 0.017 0.000 1.215 239 W CB 1.129 30.570 29.460 -0.031 0.000 1.335 239 W HN 0.474 nan 8.180 nan 0.000 0.471 240 Q N 3.577 123.483 119.800 0.176 0.000 2.322 240 Q HA 0.356 4.696 4.340 -0.000 0.000 0.256 240 Q C -1.386 174.634 176.000 0.033 0.000 0.960 240 Q CA -0.311 55.593 55.803 0.167 0.000 0.934 240 Q CB 0.486 29.341 28.738 0.194 0.000 1.200 240 Q HN 0.417 nan 8.270 nan 0.000 0.435 241 F N 3.608 123.616 119.950 0.096 0.000 2.371 241 F HA 0.192 4.719 4.527 -0.000 0.000 0.363 241 F C 0.636 176.452 175.800 0.027 0.000 1.122 241 F CA -0.757 57.274 58.000 0.051 0.000 1.129 241 F CB 0.700 39.674 39.000 -0.043 0.000 1.173 241 F HN 0.586 nan 8.300 nan 0.000 0.489 242 H N 6.417 125.524 119.070 0.061 0.000 2.964 242 H HA 0.030 4.586 4.556 -0.000 0.000 0.328 242 H C -1.570 173.730 175.328 -0.047 0.000 1.030 242 H CA -1.256 54.724 56.048 -0.113 0.000 1.445 242 H CB 1.593 31.115 29.762 -0.400 0.000 1.449 242 H HN 0.351 nan 8.280 nan 0.000 0.581 243 P HA -0.109 nan 4.420 nan 0.000 0.215 243 P C 0.430 177.792 177.300 0.104 0.000 1.153 243 P CA 1.403 64.486 63.100 -0.030 0.000 0.853 243 P CB 0.092 31.699 31.700 -0.154 0.000 0.788 244 T N -2.235 112.485 114.554 0.276 0.000 3.336 244 T HA 0.616 4.966 4.350 -0.000 0.000 0.384 244 T C 0.485 175.214 174.700 0.048 0.000 1.704 244 T CA -0.851 61.332 62.100 0.139 0.000 1.334 244 T CB 0.238 69.153 68.868 0.078 0.000 1.131 244 T HN 0.012 nan 8.240 nan 0.000 0.684 245 G N 1.861 110.685 108.800 0.041 0.000 2.425 245 G HA2 0.606 4.566 3.960 -0.000 0.000 0.302 245 G HA3 0.606 4.566 3.960 -0.000 0.000 0.302 245 G C -0.055 174.840 174.900 -0.007 0.000 1.159 245 G CA -1.143 43.949 45.100 -0.013 0.000 0.865 245 G HN 0.775 nan 8.290 nan 0.000 0.515 246 I N 1.629 122.185 120.570 -0.024 0.000 2.598 246 I HA 0.147 4.317 4.170 -0.000 0.000 0.284 246 I C 1.273 177.409 176.117 0.032 0.000 1.140 246 I CA -0.227 61.066 61.300 -0.010 0.000 1.420 246 I CB 0.920 38.929 38.000 0.016 0.000 1.387 246 I HN 0.512 nan 8.210 nan 0.000 0.553 247 A N 5.194 128.024 122.820 0.017 0.000 2.546 247 A HA 0.371 4.691 4.320 -0.000 0.000 0.243 247 A C 1.330 179.031 177.584 0.195 0.000 1.063 247 A CA 0.447 52.542 52.037 0.096 0.000 0.757 247 A CB -0.277 18.762 19.000 0.065 0.000 0.991 247 A HN 1.239 nan 8.150 nan 0.000 0.503 248 G N 0.659 109.562 108.800 0.173 0.000 2.203 248 G HA2 0.051 4.011 3.960 -0.000 0.000 0.263 248 G HA3 0.051 4.011 3.960 -0.000 0.000 0.263 248 G C 0.693 175.683 174.900 0.150 0.000 1.012 248 G CA 1.229 46.429 45.100 0.168 0.000 0.749 248 G HN 2.131 nan 8.290 nan 0.000 0.512 249 A N -2.626 120.262 122.820 0.113 0.000 1.757 249 A HA 0.683 5.002 4.320 -0.000 0.000 0.205 249 A C 2.523 180.093 177.584 -0.023 0.000 1.791 249 A CA 1.780 53.856 52.037 0.066 0.000 1.282 249 A CB -0.278 18.780 19.000 0.096 0.000 1.297 249 A HN 2.260 nan 8.150 nan 0.000 0.422 250 G N -0.956 107.834 108.800 -0.017 0.000 2.241 250 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.244 250 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.244 250 G C 0.350 175.199 174.900 -0.085 0.000 0.998 250 G CA 0.180 45.259 45.100 -0.035 0.000 0.621 250 G HN 1.112 nan 8.290 nan 0.000 0.519 251 V N 2.494 122.305 119.914 -0.172 0.000 2.529 251 V HA 0.400 4.520 4.120 -0.000 0.000 0.292 251 V C 1.060 177.074 176.094 -0.132 0.000 1.028 251 V CA 0.280 62.442 62.300 -0.231 0.000 1.074 251 V CB 1.172 32.695 31.823 -0.499 0.000 0.958 251 V HN 0.639 nan 8.190 nan 0.000 0.481 252 L N 8.317 129.477 121.223 -0.106 0.000 2.416 252 L HA 0.440 4.780 4.340 -0.000 0.000 0.272 252 L C 0.003 176.799 176.870 -0.125 0.000 1.161 252 L CA 0.423 55.178 54.840 -0.141 0.000 0.845 252 L CB 1.153 43.120 42.059 -0.154 0.000 1.119 252 L HN 0.558 nan 8.230 nan 0.000 0.464 253 V N 1.967 121.797 119.914 -0.142 0.000 2.459 253 V HA 0.480 4.600 4.120 -0.000 0.000 0.295 253 V C 0.379 176.407 176.094 -0.109 0.000 1.029 253 V CA -0.424 61.822 62.300 -0.091 0.000 0.874 253 V CB 0.957 32.745 31.823 -0.059 0.000 0.985 253 V HN 0.930 nan 8.190 nan 0.000 0.438 254 T N 1.899 116.424 114.554 -0.048 0.000 2.906 254 T HA 0.022 4.372 4.350 -0.000 0.000 0.320 254 T C 1.005 175.704 174.700 -0.001 0.000 1.088 254 T CA 0.996 63.100 62.100 0.006 0.000 1.120 254 T CB 0.634 69.560 68.868 0.096 0.000 1.000 254 T HN 1.122 nan 8.240 nan 0.000 0.550 255 E N 2.050 122.247 120.200 -0.006 0.000 2.478 255 E HA 0.003 4.353 4.350 -0.000 0.000 0.198 255 E C 1.946 178.248 176.600 -0.496 0.000 1.046 255 E CA 0.817 57.033 56.400 -0.307 0.000 0.870 255 E CB -0.661 28.684 29.700 -0.591 0.000 0.818 255 E HN 0.896 nan 8.360 nan 0.000 0.527 256 G N 0.158 108.861 108.800 -0.162 0.000 2.471 256 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.219 256 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.219 256 G C 1.503 176.408 174.900 0.007 0.000 1.125 256 G CA 0.699 45.841 45.100 0.069 0.000 0.775 256 G HN 0.387 nan 8.290 nan 0.000 0.548 257 C N 0.227 119.505 119.300 -0.037 0.000 2.425 257 C HA 0.010 4.470 4.460 -0.000 0.000 0.277 257 C C 2.898 177.854 174.990 -0.057 0.000 1.280 257 C CA 0.738 59.730 59.018 -0.044 0.000 1.744 257 C CB -0.650 27.056 27.740 -0.057 0.000 1.989 257 C HN 0.484 nan 8.230 nan 0.000 0.491 258 R N 0.285 120.728 120.500 -0.094 0.000 2.173 258 R HA 0.043 4.383 4.340 -0.000 0.000 0.208 258 R C 2.404 178.671 176.300 -0.056 0.000 1.035 258 R CA 1.146 57.200 56.100 -0.077 0.000 1.004 258 R CB -0.568 29.660 30.300 -0.121 0.000 0.917 258 R HN 0.566 nan 8.270 nan 0.000 0.462 259 G N 1.095 109.842 108.800 -0.088 0.000 2.534 259 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.217 259 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.217 259 G C 1.149 176.091 174.900 0.069 0.000 1.128 259 G CA 0.226 45.324 45.100 -0.004 0.000 0.784 259 G HN 0.181 nan 8.290 nan 0.000 0.542 260 E N -0.300 119.939 120.200 0.064 0.000 2.472 260 E HA 0.193 4.543 4.350 -0.000 0.000 0.196 260 E C 1.609 178.255 176.600 0.077 0.000 1.033 260 E CA 0.589 57.041 56.400 0.087 0.000 0.886 260 E CB 0.745 30.491 29.700 0.078 0.000 0.944 260 E HN 0.424 nan 8.360 nan 0.000 0.492 261 G N 0.898 109.747 108.800 0.082 0.000 2.234 261 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.153 261 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.153 261 G C 0.520 175.565 174.900 0.241 0.000 1.013 261 G CA -0.325 44.872 45.100 0.162 0.000 0.712 261 G HN 0.375 nan 8.290 nan 0.000 0.491 262 G N -0.002 108.846 108.800 0.080 0.000 2.476 262 G HA2 0.731 4.690 3.960 -0.000 0.000 0.269 262 G HA3 0.731 4.690 3.960 -0.000 0.000 0.269 262 G C -0.306 174.631 174.900 0.062 0.000 1.195 262 G CA -0.081 45.017 45.100 -0.004 0.000 0.843 262 G HN 1.141 nan 8.290 nan 0.000 0.545 263 Y N -1.108 119.231 120.300 0.065 0.000 2.605 263 Y HA 0.722 5.272 4.550 -0.000 0.000 0.343 263 Y C -0.688 175.192 175.900 -0.034 0.000 1.036 263 Y CA -1.785 56.302 58.100 -0.021 0.000 1.065 263 Y CB 1.346 39.784 38.460 -0.038 0.000 1.288 263 Y HN 0.375 nan 8.280 nan 0.000 0.481 264 L N 3.098 124.356 121.223 0.058 0.000 2.312 264 L HA 0.548 4.888 4.340 -0.000 0.000 0.281 264 L C -0.620 176.330 176.870 0.133 0.000 1.070 264 L CA -0.536 54.308 54.840 0.007 0.000 0.805 264 L CB 1.141 43.089 42.059 -0.185 0.000 1.174 264 L HN 0.555 nan 8.230 nan 0.000 0.434 265 L N 2.673 124.068 121.223 0.286 0.000 2.333 265 L HA 0.537 4.877 4.340 -0.000 0.000 0.269 265 L C -0.305 176.804 176.870 0.399 0.000 1.010 265 L CA -0.949 54.111 54.840 0.366 0.000 0.818 265 L CB 1.917 44.120 42.059 0.239 0.000 1.306 265 L HN 0.655 nan 8.230 nan 0.000 0.430 266 N N 0.810 119.698 118.700 0.313 0.000 2.643 266 N HA 0.170 4.909 4.740 -0.000 0.000 0.305 266 N C 0.436 175.919 175.510 -0.044 0.000 1.283 266 N CA -0.831 52.227 53.050 0.013 0.000 0.946 266 N CB 0.344 38.724 38.487 -0.177 0.000 1.149 266 N HN 0.597 nan 8.380 nan 0.000 0.600 267 K N -1.056 119.223 120.400 -0.202 0.000 2.281 267 K HA -0.150 4.169 4.320 -0.000 0.000 0.203 267 K C 0.458 176.938 176.600 -0.200 0.000 1.046 267 K CA 1.466 57.606 56.287 -0.244 0.000 0.938 267 K CB -0.515 31.771 32.500 -0.356 0.000 0.737 267 K HN 0.626 nan 8.250 nan 0.000 0.458 268 H N -0.708 118.376 119.070 0.024 0.000 2.551 268 H HA 0.210 4.766 4.556 -0.000 0.000 0.271 268 H C 0.794 176.157 175.328 0.058 0.000 0.984 268 H CA 0.099 56.168 56.048 0.035 0.000 1.164 268 H CB 1.040 30.820 29.762 0.029 0.000 1.437 268 H HN 0.533 nan 8.280 nan 0.000 0.550 269 G N 1.201 110.100 108.800 0.164 0.000 2.136 269 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.242 269 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.242 269 G C 0.030 175.037 174.900 0.177 0.000 0.989 269 G CA 0.155 45.350 45.100 0.159 0.000 0.682 269 G HN 0.515 nan 8.290 nan 0.000 0.522 270 E N 0.295 120.621 120.200 0.210 0.000 2.289 270 E HA 0.317 4.667 4.350 -0.000 0.000 0.278 270 E C 0.802 177.558 176.600 0.261 0.000 1.032 270 E CA -0.824 55.698 56.400 0.203 0.000 0.854 270 E CB 0.326 30.154 29.700 0.213 0.000 1.046 270 E HN 0.325 nan 8.360 nan 0.000 0.409 271 R N 5.542 126.127 120.500 0.141 0.000 3.641 271 R HA -0.007 4.333 4.340 -0.000 0.000 0.189 271 R C 0.632 176.958 176.300 0.044 0.000 1.706 271 R CA -0.066 56.072 56.100 0.063 0.000 1.311 271 R CB -0.751 29.472 30.300 -0.128 0.000 1.330 271 R HN 0.559 nan 8.270 nan 0.000 0.727 272 F N 0.729 120.754 119.950 0.125 0.000 2.583 272 F HA -0.077 4.449 4.527 -0.000 0.000 0.297 272 F C 1.150 177.103 175.800 0.255 0.000 1.131 272 F CA 0.132 58.241 58.000 0.182 0.000 1.467 272 F CB -0.096 39.053 39.000 0.249 0.000 1.097 272 F HN 0.266 nan 8.300 nan 0.000 0.586 273 M N 0.940 120.359 119.600 -0.302 0.000 2.419 273 M HA -0.047 4.433 4.480 -0.000 0.000 0.264 273 M C 1.836 178.145 176.300 0.016 0.000 1.082 273 M CA 0.961 56.178 55.300 -0.139 0.000 1.119 273 M CB -1.002 31.424 32.600 -0.290 0.000 1.398 273 M HN 0.356 nan 8.290 nan 0.000 0.453 274 E N -0.530 119.662 120.200 -0.013 0.000 2.265 274 E HA -0.181 4.169 4.350 -0.000 0.000 0.196 274 E C 2.121 178.732 176.600 0.019 0.000 0.996 274 E CA 0.757 57.154 56.400 -0.005 0.000 0.832 274 E CB 0.030 29.709 29.700 -0.035 0.000 0.756 274 E HN 0.410 nan 8.360 nan 0.000 0.491 275 R N -0.358 120.164 120.500 0.038 0.000 2.057 275 R HA -0.068 4.272 4.340 -0.000 0.000 0.224 275 R C 1.734 177.995 176.300 -0.065 0.000 1.136 275 R CA 0.969 57.042 56.100 -0.045 0.000 0.968 275 R CB -0.016 30.216 30.300 -0.114 0.000 0.863 275 R HN 0.177 nan 8.270 nan 0.000 0.433 276 Y N -0.605 119.748 120.300 0.088 0.000 2.293 276 Y HA 0.084 4.634 4.550 -0.000 0.000 0.291 276 Y C 0.616 176.563 175.900 0.079 0.000 1.137 276 Y CA 0.833 58.991 58.100 0.097 0.000 1.202 276 Y CB 0.369 38.907 38.460 0.130 0.000 0.990 276 Y HN 0.107 nan 8.280 nan 0.000 0.537 277 A N -0.899 122.037 122.820 0.193 0.000 3.007 277 A HA 0.416 4.736 4.320 -0.000 0.000 0.314 277 A C -2.223 175.415 177.584 0.090 0.000 1.153 277 A CA -1.146 50.981 52.037 0.150 0.000 0.780 277 A CB 0.399 19.491 19.000 0.152 0.000 1.258 277 A HN -0.046 nan 8.150 nan 0.000 0.460 278 P HA -0.203 nan 4.420 nan 0.000 0.216 278 P C 1.257 178.575 177.300 0.030 0.000 1.157 278 P CA 1.653 64.773 63.100 0.033 0.000 0.880 278 P CB 0.262 31.978 31.700 0.026 0.000 0.791 279 N N -0.604 118.125 118.700 0.048 0.000 2.124 279 N HA -0.038 4.702 4.740 -0.000 0.000 0.188 279 N C 1.779 177.317 175.510 0.048 0.000 1.045 279 N CA 1.449 54.523 53.050 0.042 0.000 0.846 279 N CB -0.947 37.569 38.487 0.047 0.000 1.020 279 N HN 0.035 nan 8.380 nan 0.000 0.432 280 A N 0.898 123.772 122.820 0.091 0.000 2.066 280 A HA -0.029 4.291 4.320 -0.000 0.000 0.218 280 A C 1.011 178.605 177.584 0.016 0.000 1.157 280 A CA 0.677 52.760 52.037 0.076 0.000 0.670 280 A CB -0.205 18.887 19.000 0.153 0.000 0.804 280 A HN 0.348 nan 8.150 nan 0.000 0.453 281 K N -1.723 118.687 120.400 0.016 0.000 1.751 281 K HA -0.279 4.041 4.320 -0.000 0.000 0.134 281 K C 0.271 176.834 176.600 -0.062 0.000 1.167 281 K CA 1.943 58.217 56.287 -0.021 0.000 0.330 281 K CB -1.362 31.116 32.500 -0.036 0.000 0.663 281 K HN 0.401 nan 8.250 nan 0.000 0.817 282 D N 0.905 121.259 120.400 -0.078 0.000 2.363 282 D HA 0.068 4.708 4.640 -0.000 0.000 0.226 282 D C 0.703 176.926 176.300 -0.129 0.000 1.020 282 D CA 0.664 54.597 54.000 -0.111 0.000 0.892 282 D CB 0.048 40.805 40.800 -0.072 0.000 0.900 282 D HN 0.188 nan 8.370 nan 0.000 0.531 283 L N 0.163 121.319 121.223 -0.112 0.000 3.066 283 L HA 0.414 4.754 4.340 -0.000 0.000 0.265 283 L C 0.810 177.568 176.870 -0.187 0.000 1.232 283 L CA -0.562 54.196 54.840 -0.138 0.000 1.031 283 L CB 0.160 42.173 42.059 -0.076 0.000 1.379 283 L HN -0.013 nan 8.230 nan 0.000 0.563 284 A N 0.092 122.766 122.820 -0.243 0.000 2.325 284 A HA 0.516 4.836 4.320 -0.000 0.000 0.260 284 A C 0.982 178.095 177.584 -0.785 0.000 1.133 284 A CA 0.336 52.061 52.037 -0.519 0.000 0.801 284 A CB -0.153 18.663 19.000 -0.306 0.000 1.092 284 A HN 0.285 nan 8.150 nan 0.000 0.504 285 G N -1.324 106.576 108.800 -1.500 0.000 2.647 285 G HA2 0.221 4.180 3.960 -0.000 0.000 0.234 285 G HA3 0.221 4.180 3.960 -0.000 0.000 0.234 285 G C 0.743 175.412 174.900 -0.385 0.000 1.252 285 G CA -0.016 44.607 45.100 -0.796 0.000 0.846 285 G HN 0.778 nan 8.290 nan 0.000 0.589 286 R N -0.002 120.350 120.500 -0.247 0.000 2.073 286 R HA -0.077 4.263 4.340 -0.000 0.000 0.229 286 R C 2.462 178.678 176.300 -0.140 0.000 1.120 286 R CA 1.425 57.396 56.100 -0.215 0.000 0.967 286 R CB -0.109 30.064 30.300 -0.211 0.000 0.862 286 R HN 0.817 nan 8.270 nan 0.000 0.436 287 D N 0.278 120.632 120.400 -0.076 0.000 2.158 287 D HA -0.146 4.494 4.640 -0.000 0.000 0.197 287 D C 1.751 178.009 176.300 -0.070 0.000 0.995 287 D CA 1.173 55.150 54.000 -0.039 0.000 0.846 287 D CB -0.452 40.356 40.800 0.013 0.000 0.941 287 D HN 0.082 nan 8.370 nan 0.000 0.456 288 V N 0.839 120.714 119.914 -0.064 0.000 2.283 288 V HA -0.188 3.932 4.120 -0.000 0.000 0.243 288 V C 2.981 179.021 176.094 -0.090 0.000 1.039 288 V CA 1.195 63.471 62.300 -0.039 0.000 1.016 288 V CB -0.354 31.482 31.823 0.021 0.000 0.650 288 V HN 0.101 nan 8.190 nan 0.000 0.449 289 V N 0.535 120.369 119.914 -0.133 0.000 2.392 289 V HA -0.277 3.843 4.120 -0.000 0.000 0.249 289 V C 2.697 178.725 176.094 -0.111 0.000 1.059 289 V CA 1.972 64.190 62.300 -0.137 0.000 1.051 289 V CB -1.229 30.489 31.823 -0.176 0.000 0.658 289 V HN 0.553 nan 8.190 nan 0.000 0.455 290 A N -0.018 122.731 122.820 -0.118 0.000 1.858 290 A HA -0.241 4.079 4.320 -0.000 0.000 0.216 290 A C 2.413 179.908 177.584 -0.150 0.000 1.190 290 A CA 1.977 53.949 52.037 -0.108 0.000 0.617 290 A CB -0.535 18.410 19.000 -0.090 0.000 0.827 290 A HN 0.474 nan 8.150 nan 0.000 0.443 291 R N -0.331 120.051 120.500 -0.197 0.000 2.081 291 R HA -0.083 4.257 4.340 -0.000 0.000 0.235 291 R C 2.603 178.852 176.300 -0.085 0.000 1.131 291 R CA 1.491 57.467 56.100 -0.207 0.000 0.960 291 R CB -0.372 29.822 30.300 -0.177 0.000 0.856 291 R HN 0.550 nan 8.270 nan 0.000 0.436 292 S N 1.098 116.665 115.700 -0.222 0.000 2.353 292 S HA -0.149 4.320 4.470 -0.000 0.000 0.222 292 S C 1.968 176.408 174.600 -0.266 0.000 1.035 292 S CA 1.308 59.161 58.200 -0.579 0.000 1.025 292 S CB -0.237 62.562 63.200 -0.668 0.000 0.902 292 S HN 0.249 nan 8.310 nan 0.000 0.440 293 I N 1.054 121.616 120.570 -0.014 0.000 2.286 293 I HA -0.180 3.989 4.170 -0.000 0.000 0.248 293 I C 2.237 178.314 176.117 -0.068 0.000 1.115 293 I CA 0.938 62.249 61.300 0.018 0.000 1.392 293 I CB -0.320 37.746 38.000 0.110 0.000 1.065 293 I HN 0.290 nan 8.210 nan 0.000 0.418 294 M N 0.004 119.593 119.600 -0.019 0.000 2.254 294 M HA -0.078 4.402 4.480 -0.000 0.000 0.265 294 M C 2.345 178.711 176.300 0.110 0.000 1.066 294 M CA 1.612 56.947 55.300 0.058 0.000 1.123 294 M CB -0.714 31.944 32.600 0.096 0.000 1.388 294 M HN 0.207 nan 8.290 nan 0.000 0.425 295 I N -0.308 120.327 120.570 0.108 0.000 2.202 295 I HA -0.239 3.931 4.170 -0.000 0.000 0.242 295 I C 2.285 178.405 176.117 0.007 0.000 1.091 295 I CA 0.841 62.198 61.300 0.094 0.000 1.368 295 I CB -0.410 37.689 38.000 0.165 0.000 1.058 295 I HN 0.214 nan 8.210 nan 0.000 0.410 296 E N 0.924 121.064 120.200 -0.100 0.000 2.130 296 E HA -0.230 4.120 4.350 -0.000 0.000 0.196 296 E C 2.214 178.715 176.600 -0.166 0.000 0.998 296 E CA 1.471 57.743 56.400 -0.215 0.000 0.806 296 E CB -0.248 29.076 29.700 -0.626 0.000 0.738 296 E HN 0.557 nan 8.360 nan 0.000 0.459 297 I N 0.221 120.715 120.570 -0.127 0.000 2.333 297 I HA -0.180 3.990 4.170 -0.000 0.000 0.246 297 I C 2.159 178.245 176.117 -0.052 0.000 1.106 297 I CA 0.676 61.923 61.300 -0.090 0.000 1.411 297 I CB -0.126 37.842 38.000 -0.053 0.000 1.082 297 I HN -0.066 nan 8.210 nan 0.000 0.420 298 R N 0.850 121.335 120.500 -0.024 0.000 2.357 298 R HA -0.070 4.270 4.340 -0.000 0.000 0.202 298 R C 0.405 176.682 176.300 -0.038 0.000 1.047 298 R CA 0.612 56.698 56.100 -0.023 0.000 1.034 298 R CB -0.111 30.181 30.300 -0.013 0.000 0.875 298 R HN 0.443 nan 8.270 nan 0.000 0.473 299 E N -0.878 119.299 120.200 -0.038 0.000 2.968 299 E HA 0.143 4.493 4.350 -0.000 0.000 0.202 299 E C 0.253 176.834 176.600 -0.032 0.000 0.979 299 E CA 0.017 56.399 56.400 -0.031 0.000 1.192 299 E CB 1.478 31.170 29.700 -0.014 0.000 1.059 299 E HN 0.344 nan 8.360 nan 0.000 0.470 300 G N 2.005 110.776 108.800 -0.048 0.000 2.166 300 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.260 300 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.260 300 G C 0.931 175.776 174.900 -0.092 0.000 0.986 300 G CA 0.429 45.495 45.100 -0.056 0.000 0.683 300 G HN 0.298 nan 8.290 nan 0.000 0.527 301 R N 0.320 120.751 120.500 -0.114 0.000 2.317 301 R HA 0.271 4.611 4.340 -0.000 0.000 0.208 301 R C 1.700 177.847 176.300 -0.256 0.000 0.914 301 R CA 0.342 56.323 56.100 -0.198 0.000 1.060 301 R CB 0.357 30.585 30.300 -0.120 0.000 1.015 301 R HN 0.376 nan 8.270 nan 0.000 0.498 302 G N 0.252 108.926 108.800 -0.210 0.000 2.572 302 G HA2 0.241 4.201 3.960 -0.000 0.000 0.261 302 G HA3 0.241 4.201 3.960 -0.000 0.000 0.261 302 G C -0.166 174.582 174.900 -0.254 0.000 1.197 302 G CA -0.535 44.427 45.100 -0.229 0.000 0.870 302 G HN 0.131 nan 8.290 nan 0.000 0.548 303 C N -0.041 119.031 119.300 -0.381 0.000 2.335 303 C HA 0.708 5.168 4.460 -0.000 0.000 0.363 303 C C 0.074 174.845 174.990 -0.365 0.000 1.198 303 C CA -0.493 58.276 59.018 -0.415 0.000 2.279 303 C CB 1.469 28.863 27.740 -0.578 0.000 2.334 303 C HN 0.754 nan 8.230 nan 0.000 0.559 304 D N -1.433 118.935 120.400 -0.054 0.000 2.559 304 D HA 0.743 5.383 4.640 -0.000 0.000 0.250 304 D C -0.000 176.535 176.300 0.393 0.000 1.135 304 D CA 0.474 54.581 54.000 0.178 0.000 0.955 304 D CB 2.350 43.205 40.800 0.091 0.000 1.442 304 D HN 0.947 nan 8.370 nan 0.000 0.471 305 G N 0.027 109.052 108.800 0.375 0.000 2.367 305 G HA2 0.135 4.095 3.960 -0.000 0.000 0.272 305 G HA3 0.135 4.095 3.960 -0.000 0.000 0.272 305 G C -2.366 172.530 174.900 -0.006 0.000 1.271 305 G CA -0.553 44.683 45.100 0.228 0.000 0.893 305 G HN 0.333 nan 8.290 nan 0.000 0.485 306 P HA 0.068 nan 4.420 nan 0.000 0.228 306 P C 0.969 178.049 177.300 -0.366 0.000 1.151 306 P CA 0.956 63.754 63.100 -0.502 0.000 0.770 306 P CB 0.064 31.291 31.700 -0.789 0.000 0.786 307 W N -0.368 120.948 121.300 0.027 0.000 2.942 307 W HA 0.397 5.057 4.660 -0.000 0.000 0.263 307 W C 0.920 177.481 176.519 0.070 0.000 1.296 307 W CA 0.688 58.044 57.345 0.017 0.000 1.504 307 W CB -0.447 28.955 29.460 -0.097 0.000 1.096 307 W HN -0.010 nan 8.180 nan 0.000 0.639 308 G N 0.721 109.715 108.800 0.324 0.000 2.710 308 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.668 308 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.668 308 G C -3.026 172.070 174.900 0.328 0.000 1.320 308 G CA -1.398 43.853 45.100 0.252 0.000 0.860 308 G HN -0.292 nan 8.290 nan 0.000 0.538 309 P HA 0.283 nan 4.420 nan 0.000 0.265 309 P C -0.064 177.344 177.300 0.179 0.000 1.193 309 P CA 0.754 63.928 63.100 0.123 0.000 0.765 309 P CB 0.408 32.142 31.700 0.058 0.000 0.823 310 H N 0.557 119.649 119.070 0.037 0.000 2.967 310 H HA 0.725 5.280 4.556 -0.000 0.000 0.318 310 H C -1.789 173.529 175.328 -0.017 0.000 1.375 310 H CA -1.263 54.791 56.048 0.010 0.000 1.132 310 H CB 0.733 30.491 29.762 -0.007 0.000 1.848 310 H HN 0.403 nan 8.280 nan 0.000 0.524 311 A N 1.504 124.379 122.820 0.092 0.000 2.311 311 A HA 0.509 4.829 4.320 -0.000 0.000 0.334 311 A C -0.325 177.375 177.584 0.194 0.000 1.139 311 A CA -0.972 51.112 52.037 0.078 0.000 0.830 311 A CB 1.035 20.135 19.000 0.167 0.000 1.234 311 A HN 0.512 nan 8.150 nan 0.000 0.483 312 K N 0.969 121.455 120.400 0.145 0.000 2.227 312 K HA 0.365 4.685 4.320 -0.000 0.000 0.280 312 K C -1.381 175.251 176.600 0.054 0.000 1.041 312 K CA -0.444 55.901 56.287 0.097 0.000 0.905 312 K CB 1.492 34.036 32.500 0.073 0.000 1.068 312 K HN 0.480 nan 8.250 nan 0.000 0.470 313 L N 3.398 124.610 121.223 -0.018 0.000 2.276 313 L HA 0.283 4.623 4.340 -0.000 0.000 0.286 313 L C -0.234 176.565 176.870 -0.119 0.000 1.024 313 L CA -0.125 54.678 54.840 -0.061 0.000 0.826 313 L CB 0.777 42.800 42.059 -0.061 0.000 1.211 313 L HN 0.430 nan 8.230 nan 0.000 0.422 314 K N 5.211 125.493 120.400 -0.197 0.000 2.248 314 K HA 0.389 4.709 4.320 -0.000 0.000 0.281 314 K C -0.109 176.322 176.600 -0.282 0.000 1.054 314 K CA -0.342 55.801 56.287 -0.241 0.000 0.903 314 K CB 0.710 33.001 32.500 -0.349 0.000 1.077 314 K HN 0.868 nan 8.250 nan 0.000 0.474 315 L N 2.972 124.043 121.223 -0.253 0.000 2.948 315 L HA 0.056 4.396 4.340 -0.000 0.000 0.259 315 L C 1.266 177.877 176.870 -0.431 0.000 1.136 315 L CA 0.075 54.696 54.840 -0.366 0.000 0.959 315 L CB 0.115 42.044 42.059 -0.218 0.000 1.370 315 L HN 0.725 nan 8.230 nan 0.000 0.552 316 D N -0.065 120.200 120.400 -0.225 0.000 2.228 316 D HA -0.304 4.336 4.640 -0.000 0.000 0.203 316 D C 1.864 178.096 176.300 -0.113 0.000 0.988 316 D CA 1.640 55.567 54.000 -0.122 0.000 0.864 316 D CB -0.443 40.339 40.800 -0.030 0.000 0.928 316 D HN 0.557 nan 8.370 nan 0.000 0.469 317 H N 0.200 119.255 119.070 -0.025 0.000 2.556 317 H HA 0.099 4.655 4.556 -0.000 0.000 0.268 317 H C 1.668 177.005 175.328 0.014 0.000 0.996 317 H CA 0.289 56.342 56.048 0.008 0.000 1.157 317 H CB -0.242 29.543 29.762 0.038 0.000 1.355 317 H HN 0.272 nan 8.280 nan 0.000 0.597 318 L N 0.557 121.613 121.223 -0.280 0.000 2.418 318 L HA 0.184 4.524 4.340 -0.000 0.000 0.218 318 L C 0.850 177.692 176.870 -0.046 0.000 1.125 318 L CA 0.551 55.316 54.840 -0.125 0.000 0.835 318 L CB -0.174 41.777 42.059 -0.180 0.000 0.953 318 L HN 0.527 nan 8.230 nan 0.000 0.454 319 G N 0.796 109.566 108.800 -0.050 0.000 2.785 319 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.686 319 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.686 319 G C 0.299 175.180 174.900 -0.031 0.000 1.155 319 G CA 0.016 45.104 45.100 -0.021 0.000 0.760 319 G HN 0.130 nan 8.290 nan 0.000 0.624 320 K N 0.590 120.976 120.400 -0.022 0.000 2.059 320 K HA -0.226 4.094 4.320 -0.000 0.000 0.212 320 K C 2.182 178.768 176.600 -0.023 0.000 1.050 320 K CA 2.420 58.693 56.287 -0.023 0.000 0.927 320 K CB -0.151 32.340 32.500 -0.015 0.000 0.714 320 K HN 0.702 nan 8.250 nan 0.000 0.447 321 E N 0.003 120.192 120.200 -0.018 0.000 2.038 321 E HA -0.186 4.164 4.350 -0.000 0.000 0.195 321 E C 1.849 178.434 176.600 -0.025 0.000 1.000 321 E CA 1.830 58.219 56.400 -0.019 0.000 0.803 321 E CB 0.018 29.710 29.700 -0.013 0.000 0.750 321 E HN 0.181 nan 8.360 nan 0.000 0.448 322 V N 1.102 121.002 119.914 -0.024 0.000 2.358 322 V HA -0.234 3.885 4.120 -0.000 0.000 0.246 322 V C 2.464 178.538 176.094 -0.033 0.000 1.047 322 V CA 1.493 63.776 62.300 -0.028 0.000 1.035 322 V CB -0.465 31.348 31.823 -0.017 0.000 0.658 322 V HN 0.327 nan 8.190 nan 0.000 0.452 323 L N -0.308 120.892 121.223 -0.038 0.000 2.017 323 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 323 L C 2.568 179.420 176.870 -0.031 0.000 1.073 323 L CA 1.843 56.659 54.840 -0.040 0.000 0.745 323 L CB -0.628 41.401 42.059 -0.051 0.000 0.894 323 L HN 0.341 nan 8.230 nan 0.000 0.432 324 E N -0.825 119.357 120.200 -0.031 0.000 2.204 324 E HA -0.190 4.160 4.350 -0.000 0.000 0.194 324 E C 2.297 178.879 176.600 -0.031 0.000 0.989 324 E CA 1.252 57.635 56.400 -0.028 0.000 0.824 324 E CB 0.061 29.745 29.700 -0.026 0.000 0.756 324 E HN 0.361 nan 8.360 nan 0.000 0.477 325 S N 0.103 115.781 115.700 -0.037 0.000 2.371 325 S HA -0.025 4.445 4.470 -0.000 0.000 0.219 325 S C 1.858 176.423 174.600 -0.059 0.000 1.040 325 S CA 0.421 58.590 58.200 -0.051 0.000 0.958 325 S CB 0.205 63.368 63.200 -0.062 0.000 0.860 325 S HN 0.036 nan 8.310 nan 0.000 0.487 326 R N 0.553 121.021 120.500 -0.053 0.000 2.210 326 R HA 0.391 4.731 4.340 -0.000 0.000 0.203 326 R C 0.541 176.851 176.300 0.016 0.000 1.010 326 R CA 0.388 56.467 56.100 -0.035 0.000 1.008 326 R CB -0.555 29.733 30.300 -0.019 0.000 0.923 326 R HN 0.431 nan 8.270 nan 0.000 0.469 327 L N 1.518 122.743 121.223 0.003 0.000 3.313 327 L HA 0.247 4.587 4.340 -0.000 0.000 0.320 327 L C -1.685 175.183 176.870 -0.004 0.000 1.304 327 L CA -0.819 54.027 54.840 0.011 0.000 0.920 327 L CB 1.503 43.565 42.059 0.006 0.000 1.357 327 L HN -0.122 nan 8.230 nan 0.000 0.602 328 P HA -0.106 nan 4.420 nan 0.000 0.222 328 P C 1.571 178.863 177.300 -0.015 0.000 1.147 328 P CA 1.248 64.338 63.100 -0.017 0.000 0.790 328 P CB 0.342 32.028 31.700 -0.023 0.000 0.780 329 G N 1.573 110.368 108.800 -0.008 0.000 2.404 329 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.215 329 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.215 329 G C 1.423 176.327 174.900 0.006 0.000 1.174 329 G CA 1.090 46.187 45.100 -0.005 0.000 0.780 329 G HN 0.390 nan 8.290 nan 0.000 0.537 330 I N -0.923 119.650 120.570 0.005 0.000 2.928 330 I HA 0.158 4.328 4.170 -0.000 0.000 0.266 330 I C 2.267 178.384 176.117 0.000 0.000 1.234 330 I CA 0.566 61.870 61.300 0.005 0.000 1.483 330 I CB -0.294 37.702 38.000 -0.006 0.000 1.097 330 I HN 0.059 nan 8.210 nan 0.000 0.455 331 L N 0.556 121.774 121.223 -0.008 0.000 1.994 331 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 331 L C 2.712 179.575 176.870 -0.011 0.000 1.071 331 L CA 1.832 56.663 54.840 -0.015 0.000 0.745 331 L CB -0.647 41.399 42.059 -0.021 0.000 0.892 331 L HN 0.347 nan 8.230 nan 0.000 0.431 332 E N -0.079 120.117 120.200 -0.008 0.000 2.106 332 E HA -0.184 4.166 4.350 -0.000 0.000 0.192 332 E C 2.393 179.004 176.600 0.017 0.000 0.984 332 E CA 0.744 57.137 56.400 -0.012 0.000 0.806 332 E CB 0.065 29.756 29.700 -0.014 0.000 0.750 332 E HN 0.428 nan 8.360 nan 0.000 0.458 333 L N 0.089 121.353 121.223 0.069 0.000 2.027 333 L HA -0.182 4.158 4.340 -0.000 0.000 0.206 333 L C 2.697 179.673 176.870 0.175 0.000 1.074 333 L CA 1.104 56.053 54.840 0.182 0.000 0.745 333 L CB -0.430 41.709 42.059 0.134 0.000 0.898 333 L HN 0.141 nan 8.230 nan 0.000 0.433 334 S N -0.305 115.440 115.700 0.074 0.000 2.382 334 S HA -0.172 4.298 4.470 -0.000 0.000 0.228 334 S C 2.097 176.712 174.600 0.025 0.000 1.027 334 S CA 1.143 59.372 58.200 0.048 0.000 0.991 334 S CB -0.061 63.139 63.200 0.000 0.000 0.823 334 S HN 0.296 nan 8.310 nan 0.000 0.469 335 R N -0.178 120.311 120.500 -0.019 0.000 2.075 335 R HA -0.010 4.330 4.340 -0.000 0.000 0.232 335 R C 2.488 178.663 176.300 -0.209 0.000 1.126 335 R CA 1.907 57.963 56.100 -0.074 0.000 0.963 335 R CB -0.701 29.558 30.300 -0.069 0.000 0.858 335 R HN 0.371 nan 8.270 nan 0.000 0.435 336 T N -0.120 114.297 114.554 -0.230 0.000 2.851 336 T HA -0.018 4.332 4.350 -0.000 0.000 0.262 336 T C 0.931 175.252 174.700 -0.630 0.000 1.043 336 T CA 1.110 62.914 62.100 -0.492 0.000 1.140 336 T CB -0.018 68.496 68.868 -0.590 0.000 0.872 336 T HN 0.090 nan 8.240 nan 0.000 0.446 337 F N 0.018 119.916 119.950 -0.086 0.000 2.695 337 F HA 0.569 5.096 4.527 -0.000 0.000 0.303 337 F C 1.652 177.526 175.800 0.124 0.000 1.091 337 F CA -0.361 57.645 58.000 0.010 0.000 1.300 337 F CB 0.345 39.364 39.000 0.031 0.000 1.071 337 F HN 0.129 nan 8.300 nan 0.000 0.578 338 A N -2.087 120.880 122.820 0.246 0.000 2.530 338 A HA 0.205 4.525 4.320 -0.000 0.000 0.214 338 A C 0.487 178.385 177.584 0.522 0.000 1.352 338 A CA -0.047 52.247 52.037 0.430 0.000 1.035 338 A CB -0.305 18.822 19.000 0.213 0.000 1.296 338 A HN 0.367 nan 8.150 nan 0.000 0.563 339 H N -0.657 118.518 119.070 0.175 0.000 2.713 339 H HA -0.144 4.412 4.556 -0.000 0.000 0.311 339 H C -0.727 174.694 175.328 0.155 0.000 1.175 339 H CA 0.978 57.100 56.048 0.124 0.000 1.143 339 H CB -1.912 27.910 29.762 0.099 0.000 1.434 339 H HN 0.258 nan 8.280 nan 0.000 0.418 340 V N 1.307 121.327 119.914 0.177 0.000 2.531 340 V HA 0.112 4.232 4.120 -0.000 0.000 0.301 340 V C 0.148 176.266 176.094 0.041 0.000 1.034 340 V CA -0.746 61.623 62.300 0.114 0.000 0.865 340 V CB 2.433 34.287 31.823 0.051 0.000 0.995 340 V HN 0.239 nan 8.190 nan 0.000 0.424 341 D N 6.656 127.075 120.400 0.032 0.000 2.411 341 D HA 0.361 5.000 4.640 -0.000 0.000 0.225 341 D C -1.678 174.615 176.300 -0.011 0.000 1.156 341 D CA -2.161 51.842 54.000 0.006 0.000 0.874 341 D CB 1.974 42.781 40.800 0.011 0.000 1.034 341 D HN 0.177 nan 8.370 nan 0.000 0.502 342 P HA -0.148 nan 4.420 nan 0.000 0.222 342 P C 1.311 178.580 177.300 -0.052 0.000 1.142 342 P CA 0.533 63.604 63.100 -0.049 0.000 0.788 342 P CB 0.305 31.971 31.700 -0.057 0.000 0.767 343 V N -0.513 119.379 119.914 -0.037 0.000 2.626 343 V HA -0.180 3.940 4.120 -0.000 0.000 0.252 343 V C 2.061 178.141 176.094 -0.022 0.000 1.067 343 V CA 1.629 63.908 62.300 -0.034 0.000 1.081 343 V CB -0.832 30.977 31.823 -0.023 0.000 0.686 343 V HN 0.226 nan 8.190 nan 0.000 0.468 344 K N 0.249 120.642 120.400 -0.011 0.000 2.273 344 K HA 0.251 4.571 4.320 -0.000 0.000 0.206 344 K C 0.909 177.511 176.600 0.003 0.000 1.072 344 K CA 0.201 56.490 56.287 0.003 0.000 0.953 344 K CB 0.609 33.118 32.500 0.015 0.000 1.043 344 K HN 0.505 nan 8.250 nan 0.000 0.477 345 E N 1.979 122.178 120.200 -0.002 0.000 2.244 345 E HA 0.306 4.656 4.350 -0.000 0.000 0.266 345 E C -2.673 173.903 176.600 -0.041 0.000 0.914 345 E CA -2.559 53.838 56.400 -0.006 0.000 0.794 345 E CB 2.121 31.831 29.700 0.017 0.000 1.210 345 E HN -0.225 nan 8.360 nan 0.000 0.414 346 P HA 0.053 nan 4.420 nan 0.000 0.267 346 P C -0.684 176.530 177.300 -0.143 0.000 1.200 346 P CA 0.400 63.448 63.100 -0.088 0.000 0.772 346 P CB 0.379 32.043 31.700 -0.060 0.000 0.855 347 I N 4.666 125.145 120.570 -0.151 0.000 2.342 347 I HA 0.199 4.369 4.170 -0.000 0.000 0.291 347 I C -1.864 174.087 176.117 -0.276 0.000 1.010 347 I CA -2.394 58.781 61.300 -0.208 0.000 1.308 347 I CB 1.205 39.123 38.000 -0.136 0.000 1.400 347 I HN 0.145 nan 8.210 nan 0.000 0.488 348 P HA 0.103 nan 4.420 nan 0.000 0.275 348 P C -0.586 176.523 177.300 -0.318 0.000 1.276 348 P CA 0.033 62.713 63.100 -0.700 0.000 0.782 348 P CB 0.722 31.424 31.700 -1.663 0.000 0.851 349 V N 2.645 122.513 119.914 -0.077 0.000 3.113 349 V HA 0.784 4.904 4.120 -0.000 0.000 0.316 349 V C -0.457 175.683 176.094 0.076 0.000 1.125 349 V CA -1.275 61.024 62.300 -0.001 0.000 1.026 349 V CB 2.620 34.449 31.823 0.010 0.000 1.080 349 V HN 0.488 nan 8.190 nan 0.000 0.444 350 I N 0.597 121.211 120.570 0.072 0.000 2.771 350 I HA 0.521 4.691 4.170 -0.000 0.000 0.291 350 I C -2.984 173.182 176.117 0.082 0.000 1.527 350 I CA -1.904 59.445 61.300 0.083 0.000 1.024 350 I CB 2.927 40.986 38.000 0.098 0.000 1.388 350 I HN 0.571 nan 8.210 nan 0.000 0.447 351 P HA 0.113 nan 4.420 nan 0.000 0.263 351 P C -1.355 176.046 177.300 0.168 0.000 1.175 351 P CA 0.421 63.584 63.100 0.104 0.000 0.761 351 P CB 0.384 32.103 31.700 0.032 0.000 0.794 352 T N 2.006 116.699 114.554 0.231 0.000 2.916 352 T HA 0.185 4.535 4.350 -0.000 0.000 0.298 352 T C -0.605 174.194 174.700 0.164 0.000 1.031 352 T CA -0.406 61.820 62.100 0.210 0.000 0.993 352 T CB 0.983 69.915 68.868 0.108 0.000 1.045 352 T HN 0.426 nan 8.240 nan 0.000 0.454 353 C N 3.286 122.565 119.300 -0.035 0.000 2.523 353 C HA 0.204 4.664 4.460 -0.000 0.000 0.406 353 C C 1.418 176.324 174.990 -0.140 0.000 1.449 353 C CA 0.946 59.625 59.018 -0.565 0.000 1.588 353 C CB -1.364 25.872 27.740 -0.839 0.000 2.514 353 C HN 1.152 nan 8.230 nan 0.000 0.606 354 H N 2.341 121.311 119.070 -0.166 0.000 2.312 354 H HA 0.284 4.840 4.556 -0.000 0.000 0.215 354 H C -0.773 174.657 175.328 0.169 0.000 0.870 354 H CA 0.492 56.571 56.048 0.052 0.000 0.982 354 H CB 0.288 30.137 29.762 0.145 0.000 1.330 354 H HN 0.741 nan 8.280 nan 0.000 0.399 355 Y N 0.957 121.259 120.300 0.003 0.000 2.504 355 Y HA 0.344 4.894 4.550 -0.000 0.000 0.344 355 Y C -1.356 174.430 175.900 -0.190 0.000 1.023 355 Y CA -1.265 56.767 58.100 -0.115 0.000 1.020 355 Y CB 1.681 40.079 38.460 -0.104 0.000 1.282 355 Y HN 0.126 nan 8.280 nan 0.000 0.454 356 M N 7.668 126.640 119.600 -1.045 0.000 2.206 356 M HA 0.211 4.691 4.480 -0.000 0.000 0.353 356 M C -0.327 175.422 176.300 -0.917 0.000 1.242 356 M CA -0.312 54.220 55.300 -1.281 0.000 1.179 356 M CB 0.776 32.638 32.600 -1.230 0.000 1.374 356 M HN 1.095 nan 8.290 nan 0.000 0.427 357 M N 2.824 122.181 119.600 -0.404 0.000 2.202 357 M HA -0.003 4.477 4.480 -0.000 0.000 0.262 357 M C 1.290 177.501 176.300 -0.150 0.000 1.063 357 M CA 1.553 56.836 55.300 -0.028 0.000 1.097 357 M CB -0.409 32.211 32.600 0.034 0.000 1.382 357 M HN 0.752 nan 8.290 nan 0.000 0.413 358 G N -1.358 107.235 108.800 -0.344 0.000 2.553 358 G HA2 0.518 4.478 3.960 -0.000 0.000 0.278 358 G HA3 0.518 4.478 3.960 -0.000 0.000 0.278 358 G C 0.136 174.898 174.900 -0.229 0.000 1.349 358 G CA -0.145 44.805 45.100 -0.249 0.000 1.037 358 G HN 0.679 nan 8.290 nan 0.000 0.508 359 G N -1.970 106.732 108.800 -0.163 0.000 2.325 359 G HA2 0.167 4.127 3.960 -0.000 0.000 0.285 359 G HA3 0.167 4.127 3.960 -0.000 0.000 0.285 359 G C -0.657 174.186 174.900 -0.095 0.000 1.303 359 G CA -0.585 44.436 45.100 -0.131 0.000 0.970 359 G HN 0.820 nan 8.290 nan 0.000 0.490 360 I N 2.997 123.518 120.570 -0.083 0.000 2.505 360 I HA 0.223 4.393 4.170 -0.000 0.000 0.287 360 I C -1.592 174.464 176.117 -0.101 0.000 1.104 360 I CA -1.280 59.975 61.300 -0.074 0.000 1.387 360 I CB 0.887 38.851 38.000 -0.060 0.000 1.404 360 I HN 0.186 nan 8.210 nan 0.000 0.528 361 P HA 0.033 nan 4.420 nan 0.000 0.267 361 P C -0.386 176.831 177.300 -0.138 0.000 1.209 361 P CA 0.095 63.111 63.100 -0.141 0.000 0.763 361 P CB 0.496 32.119 31.700 -0.128 0.000 0.816 362 T N 0.361 114.820 114.554 -0.159 0.000 2.906 362 T HA 0.529 4.879 4.350 -0.000 0.000 0.295 362 T C -0.092 174.510 174.700 -0.163 0.000 1.075 362 T CA -1.030 60.978 62.100 -0.152 0.000 1.005 362 T CB 1.799 70.585 68.868 -0.137 0.000 1.136 362 T HN 0.111 nan 8.240 nan 0.000 0.498 363 K N 0.648 120.964 120.400 -0.140 0.000 2.117 363 K HA 0.477 4.797 4.320 -0.000 0.000 0.240 363 K C 1.320 177.836 176.600 -0.140 0.000 1.031 363 K CA -0.782 55.425 56.287 -0.133 0.000 0.909 363 K CB 0.488 32.917 32.500 -0.118 0.000 1.097 363 K HN 0.324 nan 8.250 nan 0.000 0.492 364 V N 1.205 121.033 119.914 -0.144 0.000 2.469 364 V HA -0.268 3.851 4.120 -0.000 0.000 0.251 364 V C 2.333 178.406 176.094 -0.035 0.000 1.064 364 V CA 2.508 64.739 62.300 -0.114 0.000 1.066 364 V CB -0.931 30.722 31.823 -0.283 0.000 0.667 364 V HN 1.078 nan 8.190 nan 0.000 0.461 365 T N -2.456 112.045 114.554 -0.089 0.000 2.849 365 T HA -0.013 4.337 4.350 -0.000 0.000 0.270 365 T C 1.624 176.424 174.700 0.167 0.000 1.066 365 T CA 1.653 63.761 62.100 0.014 0.000 1.130 365 T CB -0.099 68.749 68.868 -0.032 0.000 0.864 365 T HN 1.048 nan 8.240 nan 0.000 0.481 366 G N 0.416 109.284 108.800 0.113 0.000 2.218 366 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.216 366 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.216 366 G C -0.084 174.900 174.900 0.141 0.000 0.994 366 G CA -0.133 45.075 45.100 0.181 0.000 0.637 366 G HN 0.683 nan 8.290 nan 0.000 0.505 367 Q N 1.110 120.894 119.800 -0.025 0.000 2.255 367 Q HA 0.518 4.858 4.340 -0.000 0.000 0.280 367 Q C 0.747 176.567 176.000 -0.300 0.000 1.068 367 Q CA 0.324 55.872 55.803 -0.425 0.000 0.911 367 Q CB 1.001 29.528 28.738 -0.352 0.000 1.157 367 Q HN 0.789 nan 8.270 nan 0.000 0.380 368 A N 4.134 126.747 122.820 -0.346 0.000 2.462 368 A HA 0.353 4.673 4.320 -0.000 0.000 0.243 368 A C -0.335 177.142 177.584 -0.178 0.000 1.076 368 A CA -0.253 51.661 52.037 -0.204 0.000 0.773 368 A CB 0.318 19.220 19.000 -0.163 0.000 1.010 368 A HN 0.723 nan 8.150 nan 0.000 0.493 369 L N 1.313 122.456 121.223 -0.133 0.000 2.334 369 L HA 0.685 5.025 4.340 -0.000 0.000 0.273 369 L C 0.530 177.347 176.870 -0.088 0.000 1.013 369 L CA -0.404 54.370 54.840 -0.111 0.000 0.816 369 L CB 2.194 44.192 42.059 -0.103 0.000 1.278 369 L HN 0.820 nan 8.230 nan 0.000 0.431 370 T N 0.852 115.360 114.554 -0.077 0.000 2.838 370 T HA 0.700 5.050 4.350 -0.000 0.000 0.292 370 T C -1.256 173.411 174.700 -0.055 0.000 1.113 370 T CA -0.445 61.617 62.100 -0.063 0.000 1.008 370 T CB 1.908 70.740 68.868 -0.060 0.000 1.259 370 T HN 0.379 nan 8.240 nan 0.000 0.520 371 V N 2.069 121.953 119.914 -0.049 0.000 2.715 371 V HA 0.778 4.898 4.120 -0.000 0.000 0.310 371 V C -0.052 176.017 176.094 -0.041 0.000 1.054 371 V CA -1.180 61.095 62.300 -0.042 0.000 0.928 371 V CB 1.414 33.215 31.823 -0.036 0.000 1.007 371 V HN 0.990 nan 8.190 nan 0.000 0.437 372 N N 1.922 120.601 118.700 -0.035 0.000 2.418 372 N HA 0.196 4.936 4.740 -0.000 0.000 0.283 372 N C 0.904 176.396 175.510 -0.030 0.000 1.267 372 N CA -0.165 52.865 53.050 -0.032 0.000 0.975 372 N CB 0.099 38.569 38.487 -0.028 0.000 1.167 372 N HN 0.843 nan 8.380 nan 0.000 0.581 373 E N -0.433 119.750 120.200 -0.028 0.000 2.267 373 E HA -0.215 4.135 4.350 -0.000 0.000 0.197 373 E C 0.532 177.119 176.600 -0.022 0.000 0.998 373 E CA 1.175 57.559 56.400 -0.026 0.000 0.830 373 E CB -0.345 29.342 29.700 -0.022 0.000 0.751 373 E HN 0.594 nan 8.360 nan 0.000 0.491 374 K N -0.118 120.270 120.400 -0.020 0.000 2.426 374 K HA 0.107 4.427 4.320 -0.000 0.000 0.193 374 K C 1.098 177.688 176.600 -0.016 0.000 1.028 374 K CA 0.448 56.725 56.287 -0.017 0.000 1.047 374 K CB 0.540 33.031 32.500 -0.015 0.000 0.821 374 K HN 0.349 nan 8.250 nan 0.000 0.513 375 G N 1.704 110.492 108.800 -0.020 0.000 2.175 375 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.244 375 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.244 375 G C -0.263 174.628 174.900 -0.015 0.000 0.982 375 G CA -0.087 45.002 45.100 -0.018 0.000 0.641 375 G HN 0.375 nan 8.290 nan 0.000 0.527 376 E N 0.979 121.169 120.200 -0.017 0.000 2.374 376 E HA 0.425 4.775 4.350 -0.000 0.000 0.260 376 E C -0.462 176.124 176.600 -0.023 0.000 1.101 376 E CA -0.547 55.842 56.400 -0.017 0.000 0.907 376 E CB 0.555 30.244 29.700 -0.017 0.000 1.014 376 E HN 0.224 nan 8.360 nan 0.000 0.427 377 D N 0.809 121.194 120.400 -0.024 0.000 2.389 377 D HA 0.203 4.843 4.640 -0.000 0.000 0.247 377 D C -0.846 175.430 176.300 -0.041 0.000 1.128 377 D CA 0.053 54.032 54.000 -0.035 0.000 0.884 377 D CB 1.068 41.847 40.800 -0.036 0.000 1.194 377 D HN -0.021 nan 8.370 nan 0.000 0.441 378 V N 1.919 121.803 119.914 -0.050 0.000 2.789 378 V HA 0.288 4.408 4.120 -0.000 0.000 0.311 378 V C 0.087 176.137 176.094 -0.074 0.000 1.073 378 V CA -1.047 61.220 62.300 -0.055 0.000 0.921 378 V CB 2.230 34.024 31.823 -0.048 0.000 1.009 378 V HN 0.227 nan 8.190 nan 0.000 0.426 379 V N 3.743 123.607 119.914 -0.083 0.000 2.583 379 V HA 0.192 4.312 4.120 -0.000 0.000 0.287 379 V C 0.207 176.230 176.094 -0.117 0.000 1.051 379 V CA -0.321 61.908 62.300 -0.118 0.000 1.010 379 V CB 1.664 33.409 31.823 -0.130 0.000 0.988 379 V HN 0.637 nan 8.190 nan 0.000 0.478 380 V N 8.200 128.028 119.914 -0.144 0.000 2.415 380 V HA 0.169 4.289 4.120 -0.000 0.000 0.267 380 V C -2.096 173.906 176.094 -0.153 0.000 1.042 380 V CA -1.483 60.742 62.300 -0.125 0.000 1.000 380 V CB 0.647 32.400 31.823 -0.117 0.000 1.015 380 V HN 0.790 nan 8.190 nan 0.000 0.478 381 P HA 0.240 nan 4.420 nan 0.000 0.267 381 P C 1.030 178.310 177.300 -0.033 0.000 1.209 381 P CA 1.173 64.233 63.100 -0.067 0.000 0.763 381 P CB 0.717 32.403 31.700 -0.024 0.000 0.816 382 G N 1.827 110.629 108.800 0.004 0.000 2.195 382 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.246 382 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.246 382 G C -0.327 174.677 174.900 0.173 0.000 0.984 382 G CA -0.240 44.947 45.100 0.146 0.000 0.633 382 G HN 0.559 nan 8.290 nan 0.000 0.525 383 L N 0.738 121.911 121.223 -0.084 0.000 2.317 383 L HA 0.912 5.252 4.340 -0.000 0.000 0.281 383 L C -0.643 176.025 176.870 -0.337 0.000 1.024 383 L CA -1.327 53.478 54.840 -0.058 0.000 0.810 383 L CB 0.990 43.003 42.059 -0.077 0.000 1.240 383 L HN 0.078 nan 8.230 nan 0.000 0.427 384 F N 2.959 122.897 119.950 -0.020 0.000 2.626 384 F HA 0.851 5.378 4.527 -0.000 0.000 0.311 384 F C -0.155 175.626 175.800 -0.032 0.000 1.088 384 F CA -0.674 57.311 58.000 -0.024 0.000 0.949 384 F CB 2.151 41.144 39.000 -0.012 0.000 1.322 384 F HN 0.567 nan 8.300 nan 0.000 0.461 385 A N 1.164 124.073 122.820 0.149 0.000 2.520 385 A HA 0.880 5.200 4.320 -0.000 0.000 0.298 385 A C -1.638 175.980 177.584 0.055 0.000 1.051 385 A CA -0.767 51.308 52.037 0.062 0.000 0.690 385 A CB 1.691 20.689 19.000 -0.004 0.000 1.281 385 A HN 1.196 nan 8.150 nan 0.000 0.402 386 V N -0.661 119.281 119.914 0.047 0.000 3.012 386 V HA 0.997 5.116 4.120 -0.000 0.000 0.307 386 V C 0.402 176.531 176.094 0.059 0.000 1.166 386 V CA 0.165 62.505 62.300 0.068 0.000 0.974 386 V CB 0.817 32.702 31.823 0.104 0.000 1.040 386 V HN 2.940 nan 8.190 nan 0.000 0.428 387 G N 2.192 111.049 108.800 0.095 0.000 2.527 387 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.227 387 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.227 387 G C 0.506 175.448 174.900 0.071 0.000 1.291 387 G CA 0.820 45.983 45.100 0.105 0.000 0.904 387 G HN 1.380 nan 8.290 nan 0.000 0.577 388 E N -0.764 119.456 120.200 0.034 0.000 2.153 388 E HA -0.104 4.246 4.350 -0.000 0.000 0.194 388 E C 2.507 179.013 176.600 -0.156 0.000 0.988 388 E CA 1.468 57.810 56.400 -0.096 0.000 0.811 388 E CB -0.121 29.451 29.700 -0.213 0.000 0.746 388 E HN 0.512 nan 8.360 nan 0.000 0.466 389 I N 0.541 121.052 120.570 -0.098 0.000 2.756 389 I HA -0.033 4.137 4.170 -0.000 0.000 0.262 389 I C 0.380 176.443 176.117 -0.090 0.000 1.225 389 I CA 0.437 61.677 61.300 -0.099 0.000 1.472 389 I CB -0.326 37.635 38.000 -0.065 0.000 1.094 389 I HN 0.036 nan 8.210 nan 0.000 0.454 390 A N -0.371 122.406 122.820 -0.070 0.000 2.312 390 A HA 0.544 4.864 4.320 -0.000 0.000 0.328 390 A C -0.504 177.025 177.584 -0.091 0.000 1.158 390 A CA -0.453 51.535 52.037 -0.080 0.000 0.821 390 A CB 0.773 19.727 19.000 -0.077 0.000 1.170 390 A HN 0.352 nan 8.150 nan 0.000 0.490 391 C N 3.731 122.958 119.300 -0.121 0.000 2.294 391 C HA 0.505 4.964 4.460 -0.000 0.000 0.319 391 C C 1.270 176.143 174.990 -0.196 0.000 1.164 391 C CA -0.390 58.550 59.018 -0.130 0.000 1.497 391 C CB -1.041 26.617 27.740 -0.137 0.000 2.061 391 C HN 0.674 nan 8.230 nan 0.000 0.438 392 V N 4.013 123.789 119.914 -0.231 0.000 2.346 392 V HA 0.038 4.158 4.120 -0.000 0.000 0.244 392 V C 1.426 177.371 176.094 -0.248 0.000 1.037 392 V CA 1.732 63.844 62.300 -0.313 0.000 1.029 392 V CB -0.238 31.259 31.823 -0.545 0.000 0.663 392 V HN 0.860 nan 8.190 nan 0.000 0.454 393 S N -0.151 115.431 115.700 -0.197 0.000 2.478 393 S HA 0.373 4.842 4.470 -0.000 0.000 0.312 393 S C 0.261 174.785 174.600 -0.128 0.000 1.094 393 S CA -0.335 57.772 58.200 -0.154 0.000 1.081 393 S CB 1.828 64.971 63.200 -0.095 0.000 1.007 393 S HN 0.230 nan 8.310 nan 0.000 0.475 394 V N 2.829 122.576 119.914 -0.278 0.000 3.647 394 V HA 0.392 4.512 4.120 -0.000 0.000 0.279 394 V C 0.930 176.755 176.094 -0.448 0.000 1.314 394 V CA 0.286 62.381 62.300 -0.342 0.000 1.125 394 V CB -0.936 30.683 31.823 -0.340 0.000 0.907 394 V HN 0.939 nan 8.190 nan 0.000 0.434 395 H N 0.414 119.508 119.070 0.040 0.000 3.046 395 H HA 0.426 4.982 4.556 -0.000 0.000 0.262 395 H C 1.842 177.195 175.328 0.042 0.000 1.044 395 H CA 0.439 56.503 56.048 0.027 0.000 1.209 395 H CB 0.874 30.647 29.762 0.019 0.000 1.507 395 H HN 0.490 nan 8.280 nan 0.000 0.507 396 G N 1.745 110.634 108.800 0.148 0.000 2.660 396 G HA2 -0.426 3.534 3.960 -0.000 0.000 0.321 396 G HA3 -0.426 3.534 3.960 -0.000 0.000 0.321 396 G C 1.199 176.184 174.900 0.142 0.000 1.246 396 G CA 1.587 46.778 45.100 0.151 0.000 1.000 396 G HN 0.580 nan 8.290 nan 0.000 0.550 397 A N 0.089 122.978 122.820 0.114 0.000 2.348 397 A HA 0.585 4.905 4.320 -0.000 0.000 0.224 397 A C 0.698 178.345 177.584 0.106 0.000 1.227 397 A CA 1.470 53.575 52.037 0.112 0.000 0.885 397 A CB -0.093 18.975 19.000 0.114 0.000 0.933 397 A HN 1.573 nan 8.150 nan 0.000 0.506 398 N N -0.693 118.064 118.700 0.095 0.000 2.648 398 N HA 0.193 4.932 4.740 -0.000 0.000 0.272 398 N C -0.983 174.562 175.510 0.059 0.000 1.118 398 N CA -0.405 52.688 53.050 0.072 0.000 0.973 398 N CB 0.962 39.485 38.487 0.060 0.000 1.565 398 N HN 0.254 nan 8.380 nan 0.000 0.542 399 R N 3.498 124.001 120.500 0.004 0.000 2.490 399 R HA 0.454 4.794 4.340 -0.000 0.000 0.278 399 R C -0.504 175.774 176.300 -0.037 0.000 1.069 399 R CA -0.373 55.688 56.100 -0.065 0.000 1.080 399 R CB 0.591 30.580 30.300 -0.518 0.000 1.030 399 R HN 0.540 nan 8.270 nan 0.000 0.491 400 L N 2.386 123.632 121.223 0.039 0.000 2.375 400 L HA 0.322 4.662 4.340 -0.000 0.000 0.271 400 L C 0.953 177.871 176.870 0.080 0.000 1.107 400 L CA -0.612 54.268 54.840 0.067 0.000 0.806 400 L CB 1.370 43.507 42.059 0.130 0.000 1.146 400 L HN 0.837 nan 8.230 nan 0.000 0.447 401 G N 0.454 109.360 108.800 0.177 0.000 2.265 401 G HA2 0.315 4.275 3.960 -0.000 0.000 0.240 401 G HA3 0.315 4.275 3.960 -0.000 0.000 0.240 401 G C 0.976 175.936 174.900 0.100 0.000 1.270 401 G CA 0.448 45.767 45.100 0.365 0.000 0.901 401 G HN 1.066 nan 8.290 nan 0.000 0.507 402 G N 2.268 111.042 108.800 -0.044 0.000 2.205 402 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.261 402 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.261 402 G C 1.204 176.091 174.900 -0.021 0.000 0.980 402 G CA 0.687 45.684 45.100 -0.172 0.000 0.632 402 G HN 0.695 nan 8.290 nan 0.000 0.533 403 N N 0.332 119.062 118.700 0.049 0.000 2.463 403 N HA 0.161 4.901 4.740 -0.000 0.000 0.181 403 N C 2.073 177.692 175.510 0.180 0.000 1.078 403 N CA 1.265 54.411 53.050 0.160 0.000 0.902 403 N CB 0.052 38.690 38.487 0.252 0.000 0.970 403 N HN 0.435 nan 8.380 nan 0.000 0.451 404 S N 0.010 115.720 115.700 0.018 0.000 2.371 404 S HA 0.159 4.629 4.470 -0.000 0.000 0.221 404 S C 1.807 176.481 174.600 0.123 0.000 1.036 404 S CA 0.354 58.572 58.200 0.029 0.000 0.965 404 S CB -0.086 63.074 63.200 -0.066 0.000 0.845 404 S HN 0.182 nan 8.310 nan 0.000 0.475 405 L N 1.124 122.395 121.223 0.079 0.000 2.012 405 L HA -0.116 4.224 4.340 -0.000 0.000 0.210 405 L C 2.507 179.431 176.870 0.090 0.000 1.073 405 L CA 1.073 55.958 54.840 0.075 0.000 0.748 405 L CB -0.695 41.390 42.059 0.043 0.000 0.891 405 L HN 0.353 nan 8.230 nan 0.000 0.431 406 L N 0.546 121.825 121.223 0.093 0.000 1.971 406 L HA -0.310 4.030 4.340 -0.000 0.000 0.215 406 L C 2.301 179.240 176.870 0.116 0.000 1.072 406 L CA 2.257 57.151 54.840 0.090 0.000 0.758 406 L CB -0.758 41.372 42.059 0.119 0.000 0.889 406 L HN 0.308 nan 8.230 nan 0.000 0.433 407 D N -0.497 120.036 120.400 0.221 0.000 2.177 407 D HA -0.274 4.366 4.640 -0.000 0.000 0.189 407 D C 2.213 178.701 176.300 0.313 0.000 1.002 407 D CA 2.544 56.768 54.000 0.373 0.000 0.845 407 D CB -0.462 40.619 40.800 0.469 0.000 0.960 407 D HN 0.441 nan 8.370 nan 0.000 0.447 408 L N -0.143 121.215 121.223 0.225 0.000 1.991 408 L HA -0.268 4.072 4.340 -0.000 0.000 0.221 408 L C 2.846 179.788 176.870 0.120 0.000 1.079 408 L CA 1.637 56.574 54.840 0.162 0.000 0.778 408 L CB -0.994 41.130 42.059 0.108 0.000 0.893 408 L HN 0.070 nan 8.230 nan 0.000 0.437 409 V N -0.773 119.186 119.914 0.075 0.000 2.307 409 V HA -0.215 3.905 4.120 -0.000 0.000 0.245 409 V C 2.435 178.525 176.094 -0.007 0.000 1.045 409 V CA 1.501 63.818 62.300 0.029 0.000 1.024 409 V CB -0.225 31.608 31.823 0.015 0.000 0.651 409 V HN 0.198 nan 8.190 nan 0.000 0.449 410 V N -0.601 119.274 119.914 -0.064 0.000 2.295 410 V HA -0.236 3.884 4.120 -0.000 0.000 0.246 410 V C 2.161 178.124 176.094 -0.218 0.000 1.049 410 V CA 2.253 64.417 62.300 -0.227 0.000 1.024 410 V CB -0.715 30.836 31.823 -0.454 0.000 0.648 410 V HN 0.473 nan 8.190 nan 0.000 0.447 411 F N 0.896 120.920 119.950 0.123 0.000 2.512 411 F HA 0.208 4.735 4.527 -0.000 0.000 0.296 411 F C 2.290 178.137 175.800 0.078 0.000 1.110 411 F CA 0.803 58.870 58.000 0.112 0.000 1.446 411 F CB -1.128 37.925 39.000 0.088 0.000 1.092 411 F HN 0.157 nan 8.300 nan 0.000 0.554 412 G N -0.053 108.862 108.800 0.192 0.000 2.402 412 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.216 412 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.216 412 G C 1.820 176.759 174.900 0.065 0.000 1.162 412 G CA 0.625 45.789 45.100 0.107 0.000 0.777 412 G HN 0.220 nan 8.290 nan 0.000 0.539 413 R N 0.470 120.995 120.500 0.043 0.000 2.080 413 R HA -0.016 4.323 4.340 -0.000 0.000 0.236 413 R C 2.928 179.249 176.300 0.035 0.000 1.137 413 R CA 1.623 57.729 56.100 0.011 0.000 0.943 413 R CB -0.477 29.812 30.300 -0.019 0.000 0.846 413 R HN 0.266 nan 8.270 nan 0.000 0.431 414 A N 0.662 123.541 122.820 0.099 0.000 1.917 414 A HA -0.200 4.120 4.320 -0.000 0.000 0.219 414 A C 2.362 180.062 177.584 0.192 0.000 1.182 414 A CA 1.999 54.149 52.037 0.187 0.000 0.633 414 A CB -0.929 18.236 19.000 0.274 0.000 0.819 414 A HN 0.590 nan 8.150 nan 0.000 0.448 415 A N -0.658 122.259 122.820 0.163 0.000 1.877 415 A HA 0.114 4.434 4.320 -0.000 0.000 0.216 415 A C 2.442 180.043 177.584 0.028 0.000 1.186 415 A CA 2.037 54.151 52.037 0.128 0.000 0.620 415 A CB -1.406 17.657 19.000 0.106 0.000 0.822 415 A HN 0.754 nan 8.150 nan 0.000 0.443 416 G N -0.429 108.363 108.800 -0.012 0.000 2.404 416 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.215 416 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.215 416 G C 1.552 176.411 174.900 -0.068 0.000 1.174 416 G CA 0.888 45.953 45.100 -0.058 0.000 0.780 416 G HN 0.405 nan 8.290 nan 0.000 0.537 417 L N -0.227 120.940 121.223 -0.093 0.000 2.129 417 L HA -0.119 4.221 4.340 -0.000 0.000 0.212 417 L C 1.962 178.649 176.870 -0.305 0.000 1.087 417 L CA 1.027 55.734 54.840 -0.220 0.000 0.757 417 L CB -0.164 41.712 42.059 -0.305 0.000 0.896 417 L HN 0.322 nan 8.230 nan 0.000 0.434 418 H N -1.914 117.163 119.070 0.011 0.000 2.528 418 H HA 0.097 4.653 4.556 -0.000 0.000 0.282 418 H C 1.567 176.908 175.328 0.022 0.000 1.097 418 H CA -0.103 55.959 56.048 0.024 0.000 1.121 418 H CB 0.830 30.616 29.762 0.041 0.000 1.590 418 H HN 0.200 nan 8.280 nan 0.000 0.553 419 L N 0.624 121.875 121.223 0.046 0.000 2.093 419 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 419 L C 2.387 179.266 176.870 0.014 0.000 1.085 419 L CA 1.488 56.311 54.840 -0.029 0.000 0.755 419 L CB -0.066 41.909 42.059 -0.141 0.000 0.904 419 L HN 0.153 nan 8.230 nan 0.000 0.435 420 Q N -0.569 119.242 119.800 0.018 0.000 2.020 420 Q HA -0.246 4.094 4.340 -0.000 0.000 0.202 420 Q C 2.073 178.106 176.000 0.056 0.000 0.982 420 Q CA 2.120 57.939 55.803 0.026 0.000 0.838 420 Q CB -0.128 28.618 28.738 0.014 0.000 0.899 420 Q HN 0.619 nan 8.270 nan 0.000 0.423 421 E N 0.053 120.301 120.200 0.079 0.000 2.110 421 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 421 E C 2.157 178.816 176.600 0.097 0.000 0.988 421 E CA 1.133 57.586 56.400 0.087 0.000 0.804 421 E CB 0.022 29.789 29.700 0.112 0.000 0.745 421 E HN 0.144 nan 8.360 nan 0.000 0.458 422 S N 0.851 116.635 115.700 0.139 0.000 2.359 422 S HA -0.146 4.324 4.470 -0.000 0.000 0.224 422 S C 2.031 176.738 174.600 0.177 0.000 1.035 422 S CA 0.898 59.212 58.200 0.191 0.000 1.018 422 S CB -0.164 63.261 63.200 0.375 0.000 0.876 422 S HN 0.219 nan 8.310 nan 0.000 0.448 423 I N 1.529 122.189 120.570 0.149 0.000 2.202 423 I HA -0.172 3.998 4.170 -0.000 0.000 0.242 423 I C 2.762 178.926 176.117 0.078 0.000 1.091 423 I CA 1.028 62.400 61.300 0.119 0.000 1.368 423 I CB -0.635 37.411 38.000 0.077 0.000 1.058 423 I HN 0.265 nan 8.210 nan 0.000 0.410 424 A N 0.641 123.498 122.820 0.061 0.000 1.908 424 A HA -0.292 4.028 4.320 -0.000 0.000 0.218 424 A C 2.325 179.933 177.584 0.041 0.000 1.181 424 A CA 2.144 54.208 52.037 0.044 0.000 0.627 424 A CB -0.740 18.283 19.000 0.038 0.000 0.818 424 A HN 0.555 nan 8.150 nan 0.000 0.445 425 E N 0.151 120.379 120.200 0.047 0.000 2.153 425 E HA -0.277 4.073 4.350 -0.000 0.000 0.194 425 E C 2.088 178.703 176.600 0.025 0.000 0.988 425 E CA 1.406 57.825 56.400 0.032 0.000 0.811 425 E CB -0.189 29.530 29.700 0.030 0.000 0.746 425 E HN 0.915 nan 8.360 nan 0.000 0.466 426 Q N -0.206 119.617 119.800 0.037 0.000 2.398 426 Q HA 0.176 4.516 4.340 -0.000 0.000 0.204 426 Q C 0.839 176.854 176.000 0.025 0.000 0.932 426 Q CA 0.515 56.334 55.803 0.025 0.000 0.916 426 Q CB 0.377 29.137 28.738 0.037 0.000 1.024 426 Q HN 0.178 nan 8.270 nan 0.000 0.504 427 G N 1.138 109.957 108.800 0.031 0.000 2.787 427 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.685 427 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.685 427 G C -0.267 174.651 174.900 0.029 0.000 1.437 427 G CA -0.527 44.588 45.100 0.025 0.000 0.872 427 G HN 0.807 nan 8.290 nan 0.000 0.566 428 A N 0.467 123.302 122.820 0.025 0.000 2.546 428 A HA 0.516 4.836 4.320 -0.000 0.000 0.243 428 A C 0.914 178.514 177.584 0.027 0.000 1.063 428 A CA 0.508 52.561 52.037 0.026 0.000 0.757 428 A CB -0.097 18.915 19.000 0.020 0.000 0.991 428 A HN 1.343 nan 8.150 nan 0.000 0.503 429 L N 2.960 124.203 121.223 0.035 0.000 2.307 429 L HA 0.447 4.787 4.340 -0.000 0.000 0.282 429 L C 1.010 177.901 176.870 0.035 0.000 1.051 429 L CA -0.659 54.203 54.840 0.036 0.000 0.804 429 L CB 0.927 43.015 42.059 0.049 0.000 1.197 429 L HN 0.884 nan 8.230 nan 0.000 0.431 430 R N 1.344 121.861 120.500 0.029 0.000 2.734 430 R HA 0.034 4.374 4.340 -0.000 0.000 0.266 430 R C -0.429 175.894 176.300 0.039 0.000 1.044 430 R CA -0.498 55.618 56.100 0.027 0.000 1.128 430 R CB 0.554 30.866 30.300 0.019 0.000 1.010 430 R HN 0.535 nan 8.270 nan 0.000 0.461 431 D N 0.952 121.376 120.400 0.040 0.000 2.382 431 D HA 0.107 4.747 4.640 -0.000 0.000 0.240 431 D C -0.486 175.847 176.300 0.054 0.000 1.146 431 D CA 0.414 54.449 54.000 0.057 0.000 0.897 431 D CB 1.029 41.859 40.800 0.050 0.000 1.197 431 D HN 0.620 nan 8.370 nan 0.000 0.432 432 A N 1.451 124.318 122.820 0.078 0.000 2.401 432 A HA 0.408 4.728 4.320 -0.000 0.000 0.259 432 A C 0.649 178.235 177.584 0.004 0.000 1.103 432 A CA -0.455 51.597 52.037 0.024 0.000 0.789 432 A CB 0.165 19.151 19.000 -0.023 0.000 1.035 432 A HN 0.507 nan 8.150 nan 0.000 0.491 433 S N 1.091 116.780 115.700 -0.018 0.000 2.645 433 S HA 0.190 4.660 4.470 -0.000 0.000 0.266 433 S C 0.910 175.487 174.600 -0.039 0.000 1.258 433 S CA 0.310 58.500 58.200 -0.016 0.000 0.990 433 S CB 0.875 64.066 63.200 -0.015 0.000 0.967 433 S HN 0.815 nan 8.310 nan 0.000 0.556 434 E N 0.421 120.606 120.200 -0.025 0.000 2.153 434 E HA -0.157 4.193 4.350 -0.000 0.000 0.194 434 E C 1.853 178.425 176.600 -0.045 0.000 0.988 434 E CA 1.371 57.752 56.400 -0.033 0.000 0.811 434 E CB -0.252 29.440 29.700 -0.013 0.000 0.746 434 E HN 0.823 nan 8.360 nan 0.000 0.466 435 S N -0.070 115.608 115.700 -0.037 0.000 2.470 435 S HA -0.077 4.393 4.470 -0.000 0.000 0.225 435 S C 1.382 175.953 174.600 -0.049 0.000 1.006 435 S CA 0.696 58.874 58.200 -0.035 0.000 0.934 435 S CB 0.057 63.242 63.200 -0.024 0.000 0.778 435 S HN 0.181 nan 8.310 nan 0.000 0.517 436 D N 2.017 122.380 120.400 -0.062 0.000 2.117 436 D HA -0.040 4.600 4.640 -0.000 0.000 0.197 436 D C 2.067 178.294 176.300 -0.120 0.000 0.987 436 D CA 1.089 55.042 54.000 -0.078 0.000 0.829 436 D CB -0.380 40.372 40.800 -0.080 0.000 0.961 436 D HN 0.351 nan 8.370 nan 0.000 0.460 437 V N 0.782 120.592 119.914 -0.174 0.000 2.453 437 V HA -0.162 3.958 4.120 -0.000 0.000 0.247 437 V C 2.351 178.375 176.094 -0.116 0.000 1.048 437 V CA 1.232 63.389 62.300 -0.238 0.000 1.049 437 V CB -0.371 31.261 31.823 -0.318 0.000 0.672 437 V HN 0.046 nan 8.190 nan 0.000 0.457 438 E N 1.035 121.190 120.200 -0.074 0.000 2.160 438 E HA -0.192 4.157 4.350 -0.000 0.000 0.195 438 E C 2.127 178.712 176.600 -0.025 0.000 0.991 438 E CA 1.562 57.941 56.400 -0.035 0.000 0.810 438 E CB -0.456 29.229 29.700 -0.026 0.000 0.742 438 E HN 0.535 nan 8.360 nan 0.000 0.466 439 A N -0.137 122.663 122.820 -0.034 0.000 1.902 439 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 439 A C 2.344 179.923 177.584 -0.009 0.000 1.181 439 A CA 1.904 53.928 52.037 -0.021 0.000 0.623 439 A CB -0.729 18.255 19.000 -0.026 0.000 0.818 439 A HN 0.319 nan 8.150 nan 0.000 0.443 440 S N 0.353 116.043 115.700 -0.017 0.000 2.402 440 S HA -0.129 4.341 4.470 -0.000 0.000 0.233 440 S C 1.574 176.196 174.600 0.037 0.000 1.030 440 S CA 1.553 59.758 58.200 0.008 0.000 1.003 440 S CB -0.480 62.719 63.200 -0.002 0.000 0.813 440 S HN 0.515 nan 8.310 nan 0.000 0.477 441 L N 1.188 122.429 121.223 0.030 0.000 2.492 441 L HA 0.023 4.363 4.340 -0.000 0.000 0.223 441 L C 1.836 178.738 176.870 0.053 0.000 1.132 441 L CA 0.329 55.199 54.840 0.051 0.000 0.850 441 L CB -0.535 41.549 42.059 0.041 0.000 0.966 441 L HN 0.129 nan 8.230 nan 0.000 0.454 442 D N 0.855 121.277 120.400 0.036 0.000 2.106 442 D HA -0.252 4.388 4.640 -0.000 0.000 0.191 442 D C 2.166 178.494 176.300 0.047 0.000 0.997 442 D CA 1.366 55.383 54.000 0.028 0.000 0.834 442 D CB -0.029 40.777 40.800 0.010 0.000 0.956 442 D HN 0.225 nan 8.370 nan 0.000 0.448 443 R N 0.174 120.718 120.500 0.073 0.000 2.091 443 R HA -0.171 4.169 4.340 -0.000 0.000 0.238 443 R C 2.401 178.834 176.300 0.222 0.000 1.136 443 R CA 1.102 57.275 56.100 0.121 0.000 0.959 443 R CB -0.385 30.004 30.300 0.148 0.000 0.856 443 R HN 0.170 nan 8.270 nan 0.000 0.437 444 L N 1.154 122.494 121.223 0.196 0.000 2.056 444 L HA -0.094 4.246 4.340 -0.000 0.000 0.207 444 L C 1.495 178.476 176.870 0.185 0.000 1.078 444 L CA 1.808 56.776 54.840 0.215 0.000 0.749 444 L CB -0.666 41.473 42.059 0.132 0.000 0.901 444 L HN 0.168 nan 8.230 nan 0.000 0.433 445 N N 0.135 118.901 118.700 0.109 0.000 2.149 445 N HA -0.225 4.515 4.740 -0.000 0.000 0.188 445 N C 1.981 177.522 175.510 0.053 0.000 1.019 445 N CA 1.354 54.446 53.050 0.070 0.000 0.857 445 N CB -0.383 38.127 38.487 0.038 0.000 0.997 445 N HN 0.428 nan 8.380 nan 0.000 0.426 446 R N -0.051 120.462 120.500 0.021 0.000 2.082 446 R HA -0.157 4.183 4.340 -0.000 0.000 0.234 446 R C 2.033 178.297 176.300 -0.061 0.000 1.136 446 R CA 1.707 57.760 56.100 -0.078 0.000 0.935 446 R CB -0.368 29.811 30.300 -0.201 0.000 0.842 446 R HN 0.267 nan 8.270 nan 0.000 0.430 447 W N 1.127 122.417 121.300 -0.016 0.000 2.338 447 W HA -0.160 4.499 4.660 -0.000 0.000 0.304 447 W C 2.050 178.556 176.519 -0.023 0.000 1.212 447 W CA 0.742 58.073 57.345 -0.023 0.000 1.264 447 W CB -0.384 29.057 29.460 -0.031 0.000 1.142 447 W HN 0.231 nan 8.180 nan 0.000 0.512 448 N N -0.181 118.646 118.700 0.213 0.000 2.453 448 N HA -0.116 4.623 4.740 -0.000 0.000 0.183 448 N C 0.708 176.261 175.510 0.071 0.000 1.041 448 N CA 1.232 54.352 53.050 0.116 0.000 0.900 448 N CB -0.495 38.040 38.487 0.080 0.000 0.961 448 N HN 0.426 nan 8.380 nan 0.000 0.443 449 N N -0.447 118.284 118.700 0.051 0.000 2.322 449 N HA 0.016 4.756 4.740 -0.000 0.000 0.181 449 N C -0.112 175.402 175.510 0.005 0.000 1.088 449 N CA -0.162 52.899 53.050 0.019 0.000 0.885 449 N CB 0.377 38.864 38.487 0.001 0.000 1.013 449 N HN 0.029 nan 8.380 nan 0.000 0.472 450 N N 1.556 120.258 118.700 0.003 0.000 2.415 450 N HA 0.114 4.854 4.740 -0.000 0.000 0.246 450 N C 0.200 175.723 175.510 0.021 0.000 1.078 450 N CA 0.135 53.173 53.050 -0.021 0.000 0.942 450 N CB 0.530 38.958 38.487 -0.100 0.000 1.140 450 N HN 0.074 nan 8.380 nan 0.000 0.501 451 R N 2.349 122.856 120.500 0.011 0.000 2.195 451 R HA 0.208 4.548 4.340 -0.000 0.000 0.197 451 R C 0.151 176.461 176.300 0.016 0.000 0.990 451 R CA 0.513 56.626 56.100 0.022 0.000 1.048 451 R CB 0.164 30.473 30.300 0.015 0.000 0.997 451 R HN 0.522 nan 8.270 nan 0.000 0.502 452 N N 0.214 118.916 118.700 0.003 0.000 2.204 452 N HA 0.109 4.849 4.740 -0.000 0.000 0.219 452 N C 0.665 176.172 175.510 -0.005 0.000 1.151 452 N CA 0.138 53.189 53.050 0.001 0.000 0.867 452 N CB 1.021 39.506 38.487 -0.004 0.000 1.043 452 N HN 0.090 nan 8.380 nan 0.000 0.516 453 G N 0.200 108.993 108.800 -0.011 0.000 2.486 453 G HA2 0.087 4.047 3.960 -0.000 0.000 0.272 453 G HA3 0.087 4.047 3.960 -0.000 0.000 0.272 453 G C 0.196 175.093 174.900 -0.005 0.000 1.426 453 G CA -0.343 44.742 45.100 -0.026 0.000 1.058 453 G HN 0.050 nan 8.290 nan 0.000 0.531 454 E N -0.090 120.103 120.200 -0.011 0.000 2.392 454 E HA 0.063 4.413 4.350 -0.000 0.000 0.259 454 E C -0.756 175.870 176.600 0.042 0.000 1.108 454 E CA -0.324 56.081 56.400 0.010 0.000 0.916 454 E CB 1.018 30.718 29.700 0.001 0.000 0.989 454 E HN 0.353 nan 8.360 nan 0.000 0.432 455 D N 2.521 122.947 120.400 0.042 0.000 2.358 455 D HA 0.024 4.664 4.640 -0.000 0.000 0.258 455 D C -1.539 174.805 176.300 0.073 0.000 1.223 455 D CA -2.004 52.029 54.000 0.056 0.000 0.886 455 D CB 0.942 41.765 40.800 0.038 0.000 1.120 455 D HN 0.070 nan 8.370 nan 0.000 0.482 456 P HA -0.159 nan 4.420 nan 0.000 0.218 456 P C 1.593 178.932 177.300 0.065 0.000 1.149 456 P CA 0.443 63.619 63.100 0.127 0.000 0.817 456 P CB 0.319 32.114 31.700 0.159 0.000 0.785 457 V N 1.272 121.211 119.914 0.042 0.000 2.252 457 V HA -0.283 3.837 4.120 -0.000 0.000 0.249 457 V C 2.849 178.959 176.094 0.027 0.000 1.056 457 V CA 2.523 64.838 62.300 0.025 0.000 1.022 457 V CB -1.802 30.032 31.823 0.018 0.000 0.641 457 V HN 0.129 nan 8.190 nan 0.000 0.445 458 A N -0.247 122.591 122.820 0.030 0.000 1.902 458 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 458 A C 2.187 179.787 177.584 0.027 0.000 1.181 458 A CA 1.971 54.024 52.037 0.027 0.000 0.623 458 A CB -0.570 18.446 19.000 0.026 0.000 0.818 458 A HN 0.524 nan 8.150 nan 0.000 0.443 459 I N -0.666 119.926 120.570 0.036 0.000 2.163 459 I HA -0.293 3.877 4.170 -0.000 0.000 0.243 459 I C 2.743 178.876 176.117 0.027 0.000 1.085 459 I CA 1.876 63.198 61.300 0.036 0.000 1.347 459 I CB -0.419 37.614 38.000 0.055 0.000 1.044 459 I HN 0.465 nan 8.210 nan 0.000 0.408 460 R N 1.866 122.383 120.500 0.029 0.000 2.073 460 R HA -0.201 4.139 4.340 -0.000 0.000 0.234 460 R C 2.203 178.502 176.300 -0.001 0.000 1.134 460 R CA 1.672 57.780 56.100 0.013 0.000 0.952 460 R CB -0.167 30.141 30.300 0.014 0.000 0.850 460 R HN 0.285 nan 8.270 nan 0.000 0.433 461 K N 0.114 120.518 120.400 0.006 0.000 2.097 461 K HA -0.080 4.240 4.320 -0.000 0.000 0.206 461 K C 2.191 178.784 176.600 -0.011 0.000 1.049 461 K CA 1.323 57.611 56.287 0.001 0.000 0.933 461 K CB -0.155 32.352 32.500 0.012 0.000 0.717 461 K HN 0.294 nan 8.250 nan 0.000 0.442 462 A N 1.810 124.629 122.820 -0.001 0.000 1.877 462 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 462 A C 2.144 179.717 177.584 -0.019 0.000 1.186 462 A CA 1.195 53.231 52.037 -0.002 0.000 0.620 462 A CB -0.655 18.353 19.000 0.013 0.000 0.822 462 A HN 0.300 nan 8.150 nan 0.000 0.443 463 L N -0.608 120.602 121.223 -0.023 0.000 1.970 463 L HA -0.302 4.038 4.340 -0.000 0.000 0.212 463 L C 2.816 179.629 176.870 -0.095 0.000 1.071 463 L CA 2.274 57.086 54.840 -0.047 0.000 0.751 463 L CB -0.490 41.543 42.059 -0.043 0.000 0.889 463 L HN 0.501 nan 8.230 nan 0.000 0.432 464 Q N -0.511 119.232 119.800 -0.095 0.000 2.061 464 Q HA -0.318 4.022 4.340 -0.000 0.000 0.204 464 Q C 2.127 178.046 176.000 -0.135 0.000 0.984 464 Q CA 2.192 57.920 55.803 -0.125 0.000 0.846 464 Q CB -0.299 28.398 28.738 -0.067 0.000 0.902 464 Q HN 0.589 nan 8.270 nan 0.000 0.421 465 E N 0.170 120.292 120.200 -0.130 0.000 2.118 465 E HA -0.248 4.102 4.350 -0.000 0.000 0.195 465 E C 2.092 178.522 176.600 -0.284 0.000 0.992 465 E CA 1.245 57.496 56.400 -0.248 0.000 0.804 465 E CB -0.158 29.431 29.700 -0.185 0.000 0.741 465 E HN 0.418 nan 8.360 nan 0.000 0.458 466 C N 0.611 119.840 119.300 -0.119 0.000 2.413 466 C HA -0.158 4.302 4.460 -0.000 0.000 0.278 466 C C 2.660 177.675 174.990 0.042 0.000 1.224 466 C CA 1.128 60.136 59.018 -0.017 0.000 1.732 466 C CB -0.815 26.944 27.740 0.032 0.000 2.050 466 C HN 0.532 nan 8.230 nan 0.000 0.463 467 M N 0.367 119.939 119.600 -0.048 0.000 2.202 467 M HA -0.130 4.350 4.480 -0.000 0.000 0.262 467 M C 2.034 178.389 176.300 0.093 0.000 1.063 467 M CA 1.641 56.894 55.300 -0.078 0.000 1.097 467 M CB -1.744 30.434 32.600 -0.703 0.000 1.382 467 M HN 0.528 nan 8.290 nan 0.000 0.413 468 Q N -0.073 119.755 119.800 0.046 0.000 2.079 468 Q HA -0.119 4.220 4.340 -0.000 0.000 0.200 468 Q C 1.679 177.809 176.000 0.216 0.000 0.974 468 Q CA 1.838 57.758 55.803 0.196 0.000 0.840 468 Q CB -0.273 28.483 28.738 0.029 0.000 0.898 468 Q HN 0.686 nan 8.270 nan 0.000 0.430 469 H N -1.463 117.676 119.070 0.115 0.000 2.544 469 H HA 0.189 4.745 4.556 -0.000 0.000 0.269 469 H C 0.802 176.139 175.328 0.015 0.000 0.970 469 H CA 0.404 56.490 56.048 0.064 0.000 1.219 469 H CB 0.579 30.368 29.762 0.045 0.000 1.421 469 H HN 0.226 nan 8.280 nan 0.000 0.555 470 N N -0.280 118.478 118.700 0.097 0.000 2.317 470 N HA 0.030 4.770 4.740 -0.000 0.000 0.199 470 N C -0.271 174.920 175.510 -0.531 0.000 1.145 470 N CA 0.402 53.318 53.050 -0.224 0.000 0.882 470 N CB 0.748 39.037 38.487 -0.331 0.000 1.113 470 N HN 0.178 nan 8.380 nan 0.000 0.486 471 F N 0.201 120.241 119.950 0.150 0.000 2.835 471 F HA 0.386 4.913 4.527 -0.000 0.000 0.342 471 F C 1.058 177.044 175.800 0.310 0.000 1.202 471 F CA -0.478 57.644 58.000 0.203 0.000 1.240 471 F CB 0.417 39.512 39.000 0.158 0.000 1.005 471 F HN -0.226 nan 8.300 nan 0.000 0.507 472 S N -0.407 115.435 115.700 0.236 0.000 2.477 472 S HA 0.242 4.712 4.470 -0.000 0.000 0.261 472 S C 1.778 176.141 174.600 -0.394 0.000 1.197 472 S CA -0.173 57.976 58.200 -0.084 0.000 1.015 472 S CB 0.539 63.679 63.200 -0.100 0.000 1.077 472 S HN -0.022 nan 8.310 nan 0.000 0.505 473 V N 0.404 119.834 119.914 -0.806 0.000 2.324 473 V HA -0.052 4.067 4.120 -0.000 0.000 0.250 473 V C 0.441 176.158 176.094 -0.627 0.000 1.060 473 V CA 1.533 63.359 62.300 -0.790 0.000 1.042 473 V CB -0.790 30.530 31.823 -0.838 0.000 0.650 473 V HN 0.556 nan 8.190 nan 0.000 0.450 474 F N -0.285 119.518 119.950 -0.245 0.000 2.458 474 F HA 0.676 5.203 4.527 -0.000 0.000 0.336 474 F C 0.418 176.077 175.800 -0.235 0.000 1.114 474 F CA -0.904 56.906 58.000 -0.316 0.000 0.987 474 F CB 1.246 40.096 39.000 -0.251 0.000 1.130 474 F HN -0.138 nan 8.300 nan 0.000 0.458 475 R N 1.757 122.190 120.500 -0.112 0.000 2.750 475 R HA 0.564 4.904 4.340 -0.000 0.000 0.281 475 R C -1.022 175.260 176.300 -0.030 0.000 0.972 475 R CA -1.074 54.983 56.100 -0.072 0.000 0.912 475 R CB 2.763 33.016 30.300 -0.078 0.000 1.187 475 R HN 0.764 nan 8.270 nan 0.000 0.464 476 E N 0.186 120.409 120.200 0.038 0.000 2.312 476 E HA 0.361 4.711 4.350 -0.000 0.000 0.267 476 E C 0.199 176.831 176.600 0.054 0.000 0.894 476 E CA -1.052 55.408 56.400 0.101 0.000 0.773 476 E CB 1.786 31.586 29.700 0.166 0.000 1.241 476 E HN 0.553 nan 8.360 nan 0.000 0.432 477 G N 1.988 110.841 108.800 0.089 0.000 2.440 477 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.218 477 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.218 477 G C 0.725 175.663 174.900 0.065 0.000 1.154 477 G CA 1.241 46.402 45.100 0.102 0.000 0.767 477 G HN 0.588 nan 8.290 nan 0.000 0.552 478 D N 0.926 121.352 120.400 0.044 0.000 2.084 478 D HA 0.004 4.644 4.640 -0.000 0.000 0.194 478 D C 2.864 179.170 176.300 0.010 0.000 0.990 478 D CA 1.382 55.400 54.000 0.030 0.000 0.826 478 D CB -0.683 40.130 40.800 0.021 0.000 0.971 478 D HN 0.276 nan 8.370 nan 0.000 0.453 479 A N 0.774 123.584 122.820 -0.017 0.000 1.892 479 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 479 A C 2.266 179.773 177.584 -0.128 0.000 1.188 479 A CA 1.883 53.882 52.037 -0.063 0.000 0.631 479 A CB -0.688 18.259 19.000 -0.087 0.000 0.822 479 A HN 0.187 nan 8.150 nan 0.000 0.447 480 M N -0.806 118.694 119.600 -0.167 0.000 2.159 480 M HA -0.145 4.335 4.480 -0.000 0.000 0.263 480 M C 2.503 178.842 176.300 0.066 0.000 1.063 480 M CA 1.375 56.558 55.300 -0.195 0.000 1.110 480 M CB -0.472 32.080 32.600 -0.080 0.000 1.374 480 M HN 0.510 nan 8.290 nan 0.000 0.411 481 A N 0.332 123.193 122.820 0.068 0.000 1.969 481 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 481 A C 2.123 179.764 177.584 0.094 0.000 1.169 481 A CA 1.597 53.693 52.037 0.098 0.000 0.635 481 A CB -0.356 18.695 19.000 0.085 0.000 0.810 481 A HN 0.384 nan 8.150 nan 0.000 0.445 482 K N -0.856 119.585 120.400 0.068 0.000 2.076 482 K HA 0.035 4.354 4.320 -0.000 0.000 0.204 482 K C 2.131 178.790 176.600 0.098 0.000 1.051 482 K CA 0.824 57.154 56.287 0.071 0.000 0.949 482 K CB -0.360 32.169 32.500 0.048 0.000 0.726 482 K HN 0.418 nan 8.250 nan 0.000 0.443 483 G N 1.486 110.350 108.800 0.107 0.000 2.446 483 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.217 483 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.217 483 G C 1.373 176.424 174.900 0.252 0.000 1.168 483 G CA 0.718 45.940 45.100 0.203 0.000 0.771 483 G HN 0.186 nan 8.290 nan 0.000 0.551 484 L N 0.565 121.949 121.223 0.269 0.000 2.127 484 L HA -0.017 4.323 4.340 -0.000 0.000 0.211 484 L C 2.491 179.457 176.870 0.159 0.000 1.089 484 L CA 1.856 56.807 54.840 0.186 0.000 0.757 484 L CB -0.366 41.785 42.059 0.153 0.000 0.899 484 L HN 0.121 nan 8.230 nan 0.000 0.434 485 E N -0.415 119.870 120.200 0.141 0.000 2.072 485 E HA -0.188 4.161 4.350 -0.000 0.000 0.190 485 E C 2.168 178.835 176.600 0.113 0.000 0.982 485 E CA 1.179 57.651 56.400 0.121 0.000 0.803 485 E CB -0.245 29.512 29.700 0.096 0.000 0.755 485 E HN 0.677 nan 8.360 nan 0.000 0.453 486 Q N 0.310 120.176 119.800 0.109 0.000 2.170 486 Q HA -0.043 4.297 4.340 -0.000 0.000 0.203 486 Q C 2.390 178.447 176.000 0.095 0.000 0.976 486 Q CA 0.728 56.586 55.803 0.091 0.000 0.858 486 Q CB -0.073 28.717 28.738 0.087 0.000 0.907 486 Q HN 0.235 nan 8.270 nan 0.000 0.433 487 L N 0.638 121.937 121.223 0.127 0.000 2.005 487 L HA -0.203 4.137 4.340 -0.000 0.000 0.207 487 L C 2.283 179.238 176.870 0.142 0.000 1.072 487 L CA 1.292 56.217 54.840 0.142 0.000 0.744 487 L CB -0.430 41.744 42.059 0.192 0.000 0.895 487 L HN 0.167 nan 8.230 nan 0.000 0.433 488 K N -0.264 120.246 120.400 0.183 0.000 2.089 488 K HA -0.196 4.124 4.320 -0.000 0.000 0.210 488 K C 1.997 178.627 176.600 0.050 0.000 1.048 488 K CA 1.525 57.884 56.287 0.120 0.000 0.926 488 K CB -0.382 32.206 32.500 0.146 0.000 0.714 488 K HN 0.141 nan 8.250 nan 0.000 0.448 489 V N 1.856 121.805 119.914 0.058 0.000 2.261 489 V HA -0.248 3.872 4.120 -0.000 0.000 0.246 489 V C 2.244 178.352 176.094 0.023 0.000 1.047 489 V CA 1.702 64.023 62.300 0.036 0.000 1.015 489 V CB -0.401 31.447 31.823 0.042 0.000 0.642 489 V HN 0.276 nan 8.190 nan 0.000 0.446 490 I N -0.173 120.416 120.570 0.032 0.000 2.248 490 I HA -0.286 3.884 4.170 -0.000 0.000 0.248 490 I C 2.745 178.865 176.117 0.005 0.000 1.107 490 I CA 1.809 63.122 61.300 0.022 0.000 1.373 490 I CB -0.507 37.511 38.000 0.029 0.000 1.055 490 I HN 0.256 nan 8.210 nan 0.000 0.418 491 R N 0.855 121.352 120.500 -0.004 0.000 2.148 491 R HA -0.151 4.189 4.340 -0.000 0.000 0.227 491 R C 1.986 178.253 176.300 -0.055 0.000 1.103 491 R CA 1.129 57.204 56.100 -0.042 0.000 0.983 491 R CB 0.039 30.281 30.300 -0.098 0.000 0.874 491 R HN 0.319 nan 8.270 nan 0.000 0.451 492 E N 0.788 120.963 120.200 -0.040 0.000 2.047 492 E HA -0.141 4.209 4.350 -0.000 0.000 0.191 492 E C 2.056 178.628 176.600 -0.047 0.000 0.987 492 E CA 0.991 57.364 56.400 -0.045 0.000 0.799 492 E CB -0.167 29.517 29.700 -0.027 0.000 0.752 492 E HN 0.351 nan 8.360 nan 0.000 0.449 493 R N 0.375 120.858 120.500 -0.030 0.000 2.127 493 R HA -0.144 4.196 4.340 -0.000 0.000 0.238 493 R C 2.322 178.593 176.300 -0.048 0.000 1.134 493 R CA 0.861 56.944 56.100 -0.029 0.000 0.975 493 R CB -0.305 29.990 30.300 -0.007 0.000 0.865 493 R HN 0.071 nan 8.270 nan 0.000 0.447 494 L N 1.325 122.520 121.223 -0.047 0.000 2.179 494 L HA -0.053 4.287 4.340 -0.000 0.000 0.208 494 L C 1.267 178.036 176.870 -0.169 0.000 1.096 494 L CA 1.712 56.515 54.840 -0.062 0.000 0.779 494 L CB -0.110 41.947 42.059 -0.003 0.000 0.922 494 L HN -0.096 nan 8.230 nan 0.000 0.443 495 K N -0.447 119.863 120.400 -0.150 0.000 2.585 495 K HA -0.109 4.211 4.320 -0.000 0.000 0.194 495 K C 0.600 177.065 176.600 -0.224 0.000 1.037 495 K CA 0.907 57.080 56.287 -0.191 0.000 0.964 495 K CB -0.207 32.215 32.500 -0.130 0.000 0.787 495 K HN 0.292 nan 8.250 nan 0.000 0.488 496 N N -0.146 118.430 118.700 -0.207 0.000 2.387 496 N HA 0.136 4.876 4.740 -0.000 0.000 0.259 496 N C -1.164 174.234 175.510 -0.187 0.000 1.369 496 N CA -0.213 52.726 53.050 -0.184 0.000 0.867 496 N CB 0.735 39.157 38.487 -0.109 0.000 1.341 496 N HN 0.066 nan 8.380 nan 0.000 0.495 497 A N 0.776 123.423 122.820 -0.289 0.000 2.304 497 A HA 0.645 4.964 4.320 -0.000 0.000 0.271 497 A C 0.200 177.685 177.584 -0.164 0.000 1.091 497 A CA -0.511 51.421 52.037 -0.175 0.000 0.812 497 A CB 0.424 19.380 19.000 -0.074 0.000 1.056 497 A HN 0.517 nan 8.150 nan 0.000 0.489 498 R N 0.604 121.167 120.500 0.104 0.000 2.589 498 R HA 0.661 5.000 4.340 -0.000 0.000 0.293 498 R C -1.403 175.101 176.300 0.342 0.000 0.963 498 R CA -0.768 55.430 56.100 0.163 0.000 0.905 498 R CB 1.039 31.389 30.300 0.082 0.000 1.144 498 R HN 0.458 nan 8.270 nan 0.000 0.459 499 L N 3.412 124.833 121.223 0.329 0.000 2.282 499 L HA 0.253 4.593 4.340 -0.000 0.000 0.287 499 L C -0.130 176.801 176.870 0.101 0.000 1.075 499 L CA 0.124 55.098 54.840 0.223 0.000 0.839 499 L CB 0.849 43.047 42.059 0.233 0.000 1.219 499 L HN 0.744 nan 8.230 nan 0.000 0.434 500 D N 1.442 121.880 120.400 0.063 0.000 2.312 500 D HA -0.050 4.590 4.640 -0.000 0.000 0.211 500 D C -0.140 176.169 176.300 0.016 0.000 0.964 500 D CA 0.834 54.855 54.000 0.035 0.000 0.877 500 D CB 0.230 41.045 40.800 0.027 0.000 0.924 500 D HN 0.573 nan 8.370 nan 0.000 0.515 501 D N -0.886 119.515 120.400 0.002 0.000 2.344 501 D HA 0.094 4.734 4.640 -0.000 0.000 0.239 501 D C 0.473 176.767 176.300 -0.009 0.000 1.064 501 D CA -0.148 53.846 54.000 -0.009 0.000 0.829 501 D CB 1.652 42.437 40.800 -0.026 0.000 1.129 501 D HN -0.245 nan 8.370 nan 0.000 0.506 502 T N 1.305 115.858 114.554 -0.001 0.000 3.044 502 T HA 0.078 4.428 4.350 -0.000 0.000 0.250 502 T C 0.840 175.536 174.700 -0.006 0.000 1.081 502 T CA 0.430 62.532 62.100 0.003 0.000 1.040 502 T CB -0.050 68.825 68.868 0.010 0.000 0.962 502 T HN 0.484 nan 8.240 nan 0.000 0.506 503 S N 0.946 116.640 115.700 -0.010 0.000 2.612 503 S HA 0.196 4.666 4.470 -0.000 0.000 0.253 503 S C 1.230 175.818 174.600 -0.020 0.000 1.346 503 S CA 0.132 58.326 58.200 -0.009 0.000 0.976 503 S CB 0.879 64.078 63.200 -0.002 0.000 0.949 503 S HN 0.427 nan 8.310 nan 0.000 0.584 504 S N -2.032 113.659 115.700 -0.015 0.000 2.649 504 S HA 0.239 4.709 4.470 -0.000 0.000 0.246 504 S C -0.032 174.555 174.600 -0.021 0.000 1.057 504 S CA -0.246 57.937 58.200 -0.028 0.000 1.051 504 S CB -0.266 62.921 63.200 -0.020 0.000 1.018 504 S HN 0.724 nan 8.310 nan 0.000 0.569 505 E N 1.718 121.925 120.200 0.011 0.000 1.936 505 E HA 0.459 4.809 4.350 -0.000 0.000 0.267 505 E C -0.756 175.927 176.600 0.138 0.000 1.076 505 E CA -0.847 55.585 56.400 0.053 0.000 0.870 505 E CB -0.924 28.806 29.700 0.049 0.000 1.093 505 E HN 0.273 nan 8.360 nan 0.000 0.411 506 F N 3.222 123.136 119.950 -0.061 0.000 2.807 506 F HA -0.272 4.254 4.527 -0.000 0.000 0.297 506 F C -0.489 175.271 175.800 -0.067 0.000 1.024 506 F CA 0.367 58.329 58.000 -0.063 0.000 1.008 506 F CB -0.438 38.534 39.000 -0.047 0.000 1.142 506 F HN 0.463 nan 8.300 nan 0.000 0.829 507 N N 1.573 120.217 118.700 -0.095 0.000 2.602 507 N HA 0.136 4.876 4.740 -0.000 0.000 0.238 507 N C 1.271 176.683 175.510 -0.165 0.000 1.084 507 N CA 0.496 53.496 53.050 -0.084 0.000 0.952 507 N CB 0.809 39.239 38.487 -0.094 0.000 1.244 507 N HN 0.437 nan 8.380 nan 0.000 0.512 508 T N 0.475 114.968 114.554 -0.101 0.000 2.915 508 T HA -0.198 4.152 4.350 -0.000 0.000 0.269 508 T C 1.476 176.071 174.700 -0.174 0.000 1.071 508 T CA 1.054 63.069 62.100 -0.141 0.000 1.132 508 T CB 0.023 68.875 68.868 -0.028 0.000 0.878 508 T HN 0.381 nan 8.240 nan 0.000 0.479 509 Q N 1.658 121.371 119.800 -0.145 0.000 2.084 509 Q HA -0.024 4.316 4.340 -0.000 0.000 0.202 509 Q C 2.450 178.292 176.000 -0.264 0.000 0.978 509 Q CA 1.593 57.295 55.803 -0.168 0.000 0.844 509 Q CB -0.411 28.259 28.738 -0.113 0.000 0.898 509 Q HN 0.650 nan 8.270 nan 0.000 0.426 510 R N -0.817 119.521 120.500 -0.270 0.000 2.096 510 R HA -0.093 4.247 4.340 -0.000 0.000 0.235 510 R C 1.915 177.916 176.300 -0.498 0.000 1.127 510 R CA 1.362 57.246 56.100 -0.360 0.000 0.968 510 R CB -0.139 30.005 30.300 -0.261 0.000 0.861 510 R HN 0.248 nan 8.270 nan 0.000 0.440 511 V N 1.463 121.093 119.914 -0.473 0.000 2.261 511 V HA -0.221 3.898 4.120 -0.000 0.000 0.246 511 V C 1.992 177.762 176.094 -0.540 0.000 1.047 511 V CA 2.083 64.000 62.300 -0.639 0.000 1.015 511 V CB -0.463 31.049 31.823 -0.518 0.000 0.642 511 V HN 0.426 nan 8.190 nan 0.000 0.446 512 E N -0.887 119.090 120.200 -0.372 0.000 2.153 512 E HA -0.229 4.121 4.350 -0.000 0.000 0.194 512 E C 2.220 178.609 176.600 -0.352 0.000 0.988 512 E CA 1.605 57.838 56.400 -0.279 0.000 0.811 512 E CB -0.298 29.284 29.700 -0.197 0.000 0.746 512 E HN 0.619 nan 8.360 nan 0.000 0.466 513 C N 0.452 119.411 119.300 -0.568 0.000 2.466 513 C HA -0.036 4.424 4.460 -0.000 0.000 0.278 513 C C 2.565 177.015 174.990 -0.899 0.000 1.288 513 C CA 0.200 58.642 59.018 -0.961 0.000 1.722 513 C CB -0.789 25.927 27.740 -1.706 0.000 2.017 513 C HN 0.397 nan 8.230 nan 0.000 0.488 514 L N 0.705 121.470 121.223 -0.763 0.000 2.083 514 L HA -0.179 4.161 4.340 -0.000 0.000 0.209 514 L C 2.620 179.434 176.870 -0.094 0.000 1.083 514 L CA 1.576 56.183 54.840 -0.388 0.000 0.752 514 L CB -0.678 41.135 42.059 -0.411 0.000 0.899 514 L HN 0.455 nan 8.230 nan 0.000 0.433 515 E N -0.143 119.977 120.200 -0.133 0.000 2.051 515 E HA -0.268 4.082 4.350 -0.000 0.000 0.192 515 E C 2.115 178.729 176.600 0.024 0.000 0.991 515 E CA 1.064 57.482 56.400 0.029 0.000 0.799 515 E CB -0.209 29.492 29.700 0.003 0.000 0.748 515 E HN 0.226 nan 8.360 nan 0.000 0.449 516 L N 1.959 123.167 121.223 -0.025 0.000 2.081 516 L HA -0.234 4.106 4.340 -0.000 0.000 0.212 516 L C 1.488 178.417 176.870 0.099 0.000 1.080 516 L CA 1.889 56.750 54.840 0.035 0.000 0.754 516 L CB -0.452 41.634 42.059 0.045 0.000 0.893 516 L HN 0.023 nan 8.230 nan 0.000 0.433 517 D N -0.536 119.961 120.400 0.160 0.000 2.190 517 D HA -0.177 4.462 4.640 -0.000 0.000 0.200 517 D C 1.803 178.165 176.300 0.103 0.000 0.992 517 D CA 1.204 55.309 54.000 0.175 0.000 0.854 517 D CB -0.179 40.764 40.800 0.239 0.000 0.936 517 D HN 0.483 nan 8.370 nan 0.000 0.462 518 N N 0.146 118.900 118.700 0.091 0.000 2.290 518 N HA 0.013 4.753 4.740 -0.000 0.000 0.179 518 N C 2.167 177.704 175.510 0.044 0.000 1.016 518 N CA 0.075 53.165 53.050 0.067 0.000 0.871 518 N CB -0.257 38.274 38.487 0.073 0.000 0.987 518 N HN 0.219 nan 8.380 nan 0.000 0.431 519 L N 0.500 121.744 121.223 0.035 0.000 2.051 519 L HA -0.224 4.116 4.340 -0.000 0.000 0.214 519 L C 2.414 179.281 176.870 -0.005 0.000 1.076 519 L CA 1.201 56.044 54.840 0.005 0.000 0.758 519 L CB -0.315 41.741 42.059 -0.004 0.000 0.890 519 L HN 0.170 nan 8.230 nan 0.000 0.433 520 M N -0.097 119.514 119.600 0.018 0.000 2.066 520 M HA -0.180 4.300 4.480 -0.000 0.000 0.259 520 M C 2.186 178.500 176.300 0.024 0.000 1.074 520 M CA 1.798 57.107 55.300 0.015 0.000 1.114 520 M CB -0.505 32.108 32.600 0.023 0.000 1.306 520 M HN 0.025 nan 8.290 nan 0.000 0.411 521 E N -0.365 119.852 120.200 0.028 0.000 2.114 521 E HA -0.206 4.144 4.350 -0.000 0.000 0.199 521 E C 2.058 178.678 176.600 0.034 0.000 1.008 521 E CA 2.134 58.558 56.400 0.040 0.000 0.810 521 E CB -1.034 28.694 29.700 0.047 0.000 0.739 521 E HN 0.598 nan 8.360 nan 0.000 0.456 522 T N 1.171 115.736 114.554 0.020 0.000 2.674 522 T HA -0.101 4.249 4.350 -0.000 0.000 0.265 522 T C 1.967 176.652 174.700 -0.024 0.000 1.039 522 T CA 1.726 63.836 62.100 0.017 0.000 1.150 522 T CB -0.338 68.567 68.868 0.062 0.000 0.864 522 T HN 0.328 nan 8.240 nan 0.000 0.427 523 A N 0.351 123.131 122.820 -0.067 0.000 1.917 523 A HA -0.162 4.158 4.320 -0.000 0.000 0.219 523 A C 2.106 179.573 177.584 -0.194 0.000 1.182 523 A CA 1.839 53.768 52.037 -0.179 0.000 0.633 523 A CB -1.040 17.852 19.000 -0.181 0.000 0.819 523 A HN 0.611 nan 8.150 nan 0.000 0.448 524 Y N 0.244 120.415 120.300 -0.214 0.000 2.133 524 Y HA -0.018 4.532 4.550 -0.000 0.000 0.287 524 Y C 2.738 178.440 175.900 -0.330 0.000 1.134 524 Y CA 1.369 59.337 58.100 -0.219 0.000 1.133 524 Y CB -0.618 37.763 38.460 -0.132 0.000 0.987 524 Y HN 0.296 nan 8.280 nan 0.000 0.502 525 A N -0.885 121.734 122.820 -0.334 0.000 1.978 525 A HA -0.200 4.120 4.320 -0.000 0.000 0.220 525 A C 2.186 179.485 177.584 -0.476 0.000 1.170 525 A CA 2.260 53.836 52.037 -0.768 0.000 0.636 525 A CB -1.288 17.270 19.000 -0.736 0.000 0.810 525 A HN 0.540 nan 8.150 nan 0.000 0.448 526 T N 0.120 114.504 114.554 -0.284 0.000 2.701 526 T HA 0.002 4.352 4.350 -0.000 0.000 0.263 526 T C 2.300 176.795 174.700 -0.342 0.000 1.040 526 T CA 1.651 63.650 62.100 -0.168 0.000 1.147 526 T CB -0.489 68.369 68.868 -0.016 0.000 0.865 526 T HN 0.610 nan 8.240 nan 0.000 0.426 527 A N 1.031 123.468 122.820 -0.638 0.000 1.877 527 A HA -0.069 4.251 4.320 -0.000 0.000 0.216 527 A C 2.584 180.009 177.584 -0.266 0.000 1.186 527 A CA 1.488 53.045 52.037 -0.799 0.000 0.620 527 A CB -1.162 17.333 19.000 -0.842 0.000 0.822 527 A HN 0.335 nan 8.150 nan 0.000 0.443 528 V N -0.015 119.666 119.914 -0.388 0.000 2.392 528 V HA -0.246 3.874 4.120 -0.000 0.000 0.249 528 V C 2.782 178.863 176.094 -0.021 0.000 1.059 528 V CA 2.380 64.549 62.300 -0.219 0.000 1.051 528 V CB -0.710 30.930 31.823 -0.306 0.000 0.658 528 V HN 0.574 nan 8.190 nan 0.000 0.455 529 S N -0.156 115.508 115.700 -0.060 0.000 2.357 529 S HA -0.050 4.420 4.470 -0.000 0.000 0.221 529 S C 2.248 176.900 174.600 0.086 0.000 1.031 529 S CA 1.160 59.390 58.200 0.049 0.000 0.982 529 S CB -0.426 62.770 63.200 -0.007 0.000 0.853 529 S HN 0.641 nan 8.310 nan 0.000 0.458 530 A N 2.304 125.179 122.820 0.092 0.000 1.940 530 A HA -0.195 4.125 4.320 -0.000 0.000 0.219 530 A C 1.875 179.611 177.584 0.253 0.000 1.176 530 A CA 1.915 54.074 52.037 0.204 0.000 0.631 530 A CB -0.804 18.502 19.000 0.509 0.000 0.814 530 A HN 0.464 nan 8.150 nan 0.000 0.446 531 N N -1.092 117.760 118.700 0.255 0.000 2.084 531 N HA -0.116 4.624 4.740 -0.000 0.000 0.190 531 N C 1.344 176.947 175.510 0.154 0.000 1.030 531 N CA 1.528 54.706 53.050 0.213 0.000 0.849 531 N CB -0.536 38.077 38.487 0.209 0.000 1.012 531 N HN 0.500 nan 8.380 nan 0.000 0.423 532 F N 1.656 121.620 119.950 0.023 0.000 2.091 532 F HA -0.069 4.458 4.527 -0.000 0.000 0.299 532 F C 1.039 176.750 175.800 -0.148 0.000 1.103 532 F CA 0.985 59.006 58.000 0.034 0.000 1.228 532 F CB -0.112 38.946 39.000 0.096 0.000 0.984 532 F HN -0.122 nan 8.300 nan 0.000 0.477 533 R N 1.239 121.462 120.500 -0.462 0.000 2.309 533 R HA 0.091 4.431 4.340 -0.000 0.000 0.331 533 R C -0.343 175.412 176.300 -0.908 0.000 1.116 533 R CA 0.523 55.908 56.100 -1.191 0.000 0.970 533 R CB -0.222 29.536 30.300 -0.902 0.000 1.024 533 R HN 0.271 nan 8.270 nan 0.000 0.472 534 T N 1.646 115.454 114.554 -1.244 0.000 3.591 534 T HA 0.183 4.533 4.350 -0.000 0.000 0.232 534 T C -0.178 173.900 174.700 -1.037 0.000 1.116 534 T CA -0.526 60.905 62.100 -1.116 0.000 1.063 534 T CB -0.431 67.713 68.868 -1.207 0.000 1.227 534 T HN 0.784 nan 8.240 nan 0.000 0.685 535 E N -0.671 119.164 120.200 -0.608 0.000 2.394 535 E HA 0.662 5.012 4.350 -0.000 0.000 0.266 535 E C -1.461 175.101 176.600 -0.062 0.000 1.065 535 E CA -1.313 54.948 56.400 -0.232 0.000 0.885 535 E CB 0.681 30.220 29.700 -0.270 0.000 1.659 535 E HN -0.020 nan 8.360 nan 0.000 0.462 536 S N -0.372 115.334 115.700 0.010 0.000 2.779 536 S HA 0.545 5.015 4.470 -0.000 0.000 0.293 536 S C -1.314 173.325 174.600 0.065 0.000 1.150 536 S CA -0.665 57.539 58.200 0.008 0.000 1.057 536 S CB 0.908 64.106 63.200 -0.005 0.000 1.021 536 S HN 0.448 nan 8.310 nan 0.000 0.485 537 R N 2.144 122.706 120.500 0.104 0.000 2.564 537 R HA 0.582 4.922 4.340 -0.000 0.000 0.284 537 R C 0.725 177.103 176.300 0.130 0.000 1.031 537 R CA 0.360 56.532 56.100 0.120 0.000 0.904 537 R CB 1.146 31.521 30.300 0.125 0.000 1.199 537 R HN 0.859 nan 8.270 nan 0.000 0.443 538 G N 2.322 111.191 108.800 0.116 0.000 2.651 538 G HA2 -0.468 3.491 3.960 -0.000 0.000 0.315 538 G HA3 -0.468 3.491 3.960 -0.000 0.000 0.315 538 G C 0.802 175.761 174.900 0.097 0.000 1.258 538 G CA 0.779 45.944 45.100 0.108 0.000 1.002 538 G HN 0.857 nan 8.290 nan 0.000 0.551 539 A N -0.770 122.125 122.820 0.124 0.000 1.930 539 A HA 0.184 4.504 4.320 -0.000 0.000 0.217 539 A C 1.381 179.048 177.584 0.139 0.000 1.175 539 A CA 1.998 54.117 52.037 0.136 0.000 0.627 539 A CB -0.601 18.528 19.000 0.216 0.000 0.815 539 A HN 1.594 nan 8.150 nan 0.000 0.443 540 H N 0.663 119.778 119.070 0.074 0.000 3.091 540 H HA 0.400 4.956 4.556 -0.000 0.000 0.289 540 H C -0.589 174.737 175.328 -0.003 0.000 0.995 540 H CA 0.602 56.682 56.048 0.054 0.000 1.461 540 H CB 0.071 29.858 29.762 0.041 0.000 1.510 540 H HN 0.100 nan 8.280 nan 0.000 0.546 541 S N 5.690 121.172 115.700 -0.364 0.000 2.774 541 S HA 0.424 4.894 4.470 -0.000 0.000 0.297 541 S C -0.763 173.600 174.600 -0.395 0.000 1.143 541 S CA -0.871 57.135 58.200 -0.324 0.000 1.090 541 S CB 0.142 63.202 63.200 -0.233 0.000 1.019 541 S HN 0.725 nan 8.310 nan 0.000 0.482 542 R N 2.855 123.138 120.500 -0.361 0.000 2.407 542 R HA 0.407 4.747 4.340 -0.000 0.000 0.303 542 R C 0.051 176.260 176.300 -0.151 0.000 0.981 542 R CA -0.592 55.370 56.100 -0.229 0.000 0.905 542 R CB 0.615 30.880 30.300 -0.057 0.000 1.099 542 R HN 0.502 nan 8.270 nan 0.000 0.459 543 F N 1.441 121.399 119.950 0.013 0.000 2.206 543 F HA -0.144 4.383 4.527 -0.000 0.000 0.298 543 F C 2.063 177.825 175.800 -0.064 0.000 1.090 543 F CA 1.294 59.275 58.000 -0.031 0.000 1.323 543 F CB -0.112 38.845 39.000 -0.071 0.000 1.028 543 F HN 0.592 nan 8.300 nan 0.000 0.492 544 D N -1.354 119.105 120.400 0.098 0.000 2.363 544 D HA -0.132 4.508 4.640 -0.000 0.000 0.226 544 D C -0.124 175.889 176.300 -0.479 0.000 1.020 544 D CA 0.567 54.475 54.000 -0.153 0.000 0.892 544 D CB -0.604 40.108 40.800 -0.146 0.000 0.900 544 D HN 0.240 nan 8.370 nan 0.000 0.531 545 F N -0.495 119.468 119.950 0.021 0.000 2.946 545 F HA 0.276 4.803 4.527 -0.000 0.000 0.375 545 F C -2.143 173.652 175.800 -0.007 0.000 1.320 545 F CA -1.656 56.348 58.000 0.005 0.000 1.181 545 F CB 2.052 41.038 39.000 -0.022 0.000 2.051 545 F HN -0.233 nan 8.300 nan 0.000 0.622 546 P HA 0.013 nan 4.420 nan 0.000 0.233 546 P C -0.233 177.128 177.300 0.100 0.000 1.167 546 P CA 0.934 64.093 63.100 0.098 0.000 0.770 546 P CB 0.319 32.080 31.700 0.100 0.000 0.837 547 D N -0.108 120.366 120.400 0.123 0.000 2.193 547 D HA 0.179 4.818 4.640 -0.000 0.000 0.249 547 D C 0.156 176.524 176.300 0.113 0.000 1.034 547 D CA -0.476 53.592 54.000 0.112 0.000 0.902 547 D CB 1.048 41.916 40.800 0.113 0.000 1.182 547 D HN -0.151 nan 8.370 nan 0.000 0.436 548 R N 1.332 121.893 120.500 0.101 0.000 2.248 548 R HA 0.066 4.406 4.340 -0.000 0.000 0.328 548 R C -0.731 175.641 176.300 0.121 0.000 1.067 548 R CA -0.316 55.848 56.100 0.107 0.000 0.924 548 R CB 0.365 30.727 30.300 0.103 0.000 1.013 548 R HN 0.220 nan 8.270 nan 0.000 0.454 549 D N 3.365 123.862 120.400 0.162 0.000 2.499 549 D HA 0.079 4.719 4.640 -0.000 0.000 0.225 549 D C -0.267 176.142 176.300 0.181 0.000 1.124 549 D CA -0.378 53.739 54.000 0.194 0.000 0.938 549 D CB 0.883 41.865 40.800 0.303 0.000 1.014 549 D HN 0.438 nan 8.370 nan 0.000 0.517 550 D N 1.819 122.282 120.400 0.105 0.000 2.371 550 D HA -0.058 4.582 4.640 -0.000 0.000 0.221 550 D C 1.195 177.517 176.300 0.035 0.000 0.986 550 D CA 0.576 54.617 54.000 0.068 0.000 0.899 550 D CB 0.442 41.256 40.800 0.023 0.000 0.902 550 D HN 0.606 nan 8.370 nan 0.000 0.530 551 E N -0.421 119.798 120.200 0.032 0.000 2.276 551 E HA 0.074 4.424 4.350 -0.000 0.000 0.193 551 E C 1.154 177.710 176.600 -0.073 0.000 0.983 551 E CA 0.290 56.683 56.400 -0.012 0.000 0.861 551 E CB 0.358 30.057 29.700 -0.001 0.000 0.817 551 E HN 0.190 nan 8.360 nan 0.000 0.485 552 N N -1.304 117.332 118.700 -0.107 0.000 2.239 552 N HA 0.040 4.780 4.740 -0.000 0.000 0.208 552 N C 0.165 175.277 175.510 -0.664 0.000 1.200 552 N CA 0.236 53.051 53.050 -0.391 0.000 0.895 552 N CB 0.525 38.736 38.487 -0.460 0.000 1.085 552 N HN 0.153 nan 8.380 nan 0.000 0.500 553 W N 0.810 122.088 121.300 -0.037 0.000 2.252 553 W HA 0.386 5.046 4.660 -0.000 0.000 0.338 553 W C -0.029 176.477 176.519 -0.020 0.000 0.914 553 W CA -0.435 56.888 57.345 -0.037 0.000 1.754 553 W CB 0.261 29.692 29.460 -0.049 0.000 1.135 553 W HN -0.160 nan 8.180 nan 0.000 0.531 554 L N 3.608 124.894 121.223 0.106 0.000 2.376 554 L HA 0.324 4.664 4.340 -0.000 0.000 0.250 554 L C 0.263 177.136 176.870 0.006 0.000 1.335 554 L CA -0.152 54.724 54.840 0.061 0.000 1.214 554 L CB -1.299 40.780 42.059 0.033 0.000 1.395 554 L HN 0.200 nan 8.230 nan 0.000 0.424 555 C N -0.549 118.753 119.300 0.004 0.000 3.167 555 C HA 0.434 4.894 4.460 -0.000 0.000 0.348 555 C C -0.465 174.478 174.990 -0.078 0.000 1.394 555 C CA -1.198 57.777 59.018 -0.072 0.000 1.204 555 C CB 1.180 28.929 27.740 0.015 0.000 1.467 555 C HN 0.498 nan 8.230 nan 0.000 0.446 556 H N 1.067 120.219 119.070 0.136 0.000 2.482 556 H HA 0.651 5.207 4.556 -0.000 0.000 0.344 556 H C 0.266 175.713 175.328 0.197 0.000 1.151 556 H CA 0.520 56.650 56.048 0.138 0.000 1.300 556 H CB 1.795 31.604 29.762 0.079 0.000 1.494 556 H HN 0.921 nan 8.280 nan 0.000 0.542 557 S N 1.909 117.814 115.700 0.342 0.000 2.541 557 S HA 0.441 4.911 4.470 -0.000 0.000 0.283 557 S C -0.317 174.391 174.600 0.179 0.000 1.196 557 S CA -0.878 57.524 58.200 0.336 0.000 1.062 557 S CB 1.430 64.877 63.200 0.412 0.000 1.009 557 S HN 0.350 nan 8.310 nan 0.000 0.502 558 L N 2.884 124.164 121.223 0.095 0.000 2.381 558 L HA 0.496 4.836 4.340 -0.000 0.000 0.274 558 L C -1.442 175.429 176.870 0.002 0.000 0.988 558 L CA -0.874 53.991 54.840 0.041 0.000 0.824 558 L CB 1.542 43.611 42.059 0.017 0.000 1.263 558 L HN 0.837 nan 8.230 nan 0.000 0.410 559 Y N 5.940 126.191 120.300 -0.081 0.000 2.454 559 Y HA 0.493 5.043 4.550 -0.000 0.000 0.345 559 Y C -0.833 175.029 175.900 -0.063 0.000 0.970 559 Y CA -0.699 57.347 58.100 -0.090 0.000 1.204 559 Y CB 0.483 38.909 38.460 -0.058 0.000 1.122 559 Y HN 0.499 nan 8.280 nan 0.000 0.514 560 L N 9.881 130.822 121.223 -0.471 0.000 2.385 560 L HA 0.198 4.538 4.340 -0.000 0.000 0.281 560 L C -1.656 174.832 176.870 -0.636 0.000 1.106 560 L CA -1.585 53.008 54.840 -0.412 0.000 0.856 560 L CB 0.779 42.682 42.059 -0.260 0.000 1.186 560 L HN 0.551 nan 8.230 nan 0.000 0.453 561 P HA -0.094 nan 4.420 nan 0.000 0.217 561 P C 1.149 178.338 177.300 -0.185 0.000 1.151 561 P CA 0.900 63.814 63.100 -0.311 0.000 0.828 561 P CB 0.440 32.103 31.700 -0.061 0.000 0.788 562 E N -0.273 119.840 120.200 -0.145 0.000 2.106 562 E HA -0.101 4.249 4.350 -0.000 0.000 0.192 562 E C 1.639 178.187 176.600 -0.087 0.000 0.984 562 E CA 1.647 57.993 56.400 -0.090 0.000 0.806 562 E CB -0.207 29.450 29.700 -0.071 0.000 0.750 562 E HN 0.270 nan 8.360 nan 0.000 0.458 563 S N -0.472 115.155 115.700 -0.121 0.000 2.540 563 S HA 0.096 4.566 4.470 -0.000 0.000 0.218 563 S C 0.152 174.698 174.600 -0.090 0.000 0.977 563 S CA -0.205 57.942 58.200 -0.089 0.000 0.918 563 S CB 0.154 63.303 63.200 -0.084 0.000 0.806 563 S HN 0.184 nan 8.310 nan 0.000 0.496 564 E N 1.417 121.523 120.200 -0.156 0.000 2.403 564 E HA -0.192 4.158 4.350 -0.000 0.000 0.241 564 E C -0.104 176.457 176.600 -0.065 0.000 1.201 564 E CA 0.784 57.128 56.400 -0.093 0.000 0.721 564 E CB -2.217 27.566 29.700 0.137 0.000 1.245 564 E HN 0.850 nan 8.360 nan 0.000 0.392 565 S N -1.287 114.297 115.700 -0.194 0.000 2.726 565 S HA 0.784 5.254 4.470 -0.000 0.000 0.308 565 S C 0.130 174.595 174.600 -0.226 0.000 1.115 565 S CA -1.173 56.948 58.200 -0.130 0.000 0.965 565 S CB 2.193 65.336 63.200 -0.094 0.000 1.145 565 S HN 0.084 nan 8.310 nan 0.000 0.532 566 M N 1.106 120.527 119.600 -0.299 0.000 2.706 566 M HA 0.701 5.181 4.480 -0.000 0.000 0.304 566 M C 0.302 176.288 176.300 -0.523 0.000 1.217 566 M CA -0.328 54.622 55.300 -0.584 0.000 0.922 566 M CB 1.388 33.163 32.600 -1.376 0.000 1.637 566 M HN 1.061 nan 8.290 nan 0.000 0.492 567 T N -0.092 114.188 114.554 -0.455 0.000 2.647 567 T HA 0.602 4.952 4.350 -0.000 0.000 0.302 567 T C -1.562 173.164 174.700 0.043 0.000 1.389 567 T CA -0.652 61.370 62.100 -0.131 0.000 1.037 567 T CB 1.658 70.480 68.868 -0.077 0.000 1.755 567 T HN 0.691 nan 8.240 nan 0.000 0.467 568 R N 0.201 120.754 120.500 0.088 0.000 2.774 568 R HA 0.727 5.066 4.340 -0.000 0.000 0.272 568 R C -1.060 175.297 176.300 0.095 0.000 1.000 568 R CA -0.926 55.257 56.100 0.138 0.000 0.906 568 R CB 2.219 32.587 30.300 0.113 0.000 1.227 568 R HN 0.489 nan 8.270 nan 0.000 0.468 569 R N 0.152 120.734 120.500 0.137 0.000 2.744 569 R HA 0.367 4.707 4.340 -0.000 0.000 0.279 569 R C -0.759 175.629 176.300 0.147 0.000 0.977 569 R CA -0.703 55.475 56.100 0.129 0.000 0.906 569 R CB 2.557 32.943 30.300 0.144 0.000 1.197 569 R HN 0.558 nan 8.270 nan 0.000 0.463 570 S N 0.999 116.759 115.700 0.100 0.000 2.558 570 S HA 0.048 4.518 4.470 -0.000 0.000 0.288 570 S C 0.166 174.830 174.600 0.106 0.000 1.318 570 S CA -0.437 57.804 58.200 0.069 0.000 1.056 570 S CB 0.742 63.971 63.200 0.049 0.000 0.853 570 S HN 0.232 nan 8.310 nan 0.000 0.505 571 V N 4.651 124.556 119.914 -0.014 0.000 2.461 571 V HA 0.145 4.264 4.120 -0.000 0.000 0.275 571 V C 0.776 176.910 176.094 0.065 0.000 1.047 571 V CA -0.794 61.486 62.300 -0.033 0.000 0.955 571 V CB 0.883 32.618 31.823 -0.147 0.000 0.988 571 V HN 0.847 nan 8.190 nan 0.000 0.471 572 N N 5.861 124.631 118.700 0.117 0.000 2.497 572 N HA 0.204 4.944 4.740 -0.000 0.000 0.268 572 N C -0.253 175.314 175.510 0.096 0.000 1.171 572 N CA 0.109 53.215 53.050 0.092 0.000 0.948 572 N CB 0.953 39.492 38.487 0.088 0.000 1.069 572 N HN 0.676 nan 8.380 nan 0.000 0.460 573 M N 2.605 122.255 119.600 0.083 0.000 3.114 573 M HA 0.191 4.671 4.480 -0.000 0.000 0.386 573 M C -0.885 175.464 176.300 0.082 0.000 1.417 573 M CA -0.073 55.285 55.300 0.097 0.000 0.785 573 M CB 0.516 33.170 32.600 0.091 0.000 1.413 573 M HN 0.421 nan 8.290 nan 0.000 0.498 574 E N 1.596 121.844 120.200 0.080 0.000 2.731 574 E HA 0.315 4.665 4.350 -0.000 0.000 0.248 574 E C -2.495 174.155 176.600 0.083 0.000 1.084 574 E CA -1.578 54.863 56.400 0.067 0.000 0.776 574 E CB 1.925 31.654 29.700 0.049 0.000 1.404 574 E HN 0.109 nan 8.360 nan 0.000 0.395 575 P HA 0.052 nan 4.420 nan 0.000 0.282 575 P C 0.522 177.886 177.300 0.106 0.000 1.286 575 P CA -0.279 62.900 63.100 0.132 0.000 0.777 575 P CB 0.953 32.754 31.700 0.168 0.000 1.184 576 K N -0.623 119.852 120.400 0.124 0.000 2.474 576 K HA 0.281 4.601 4.320 -0.000 0.000 0.204 576 K C 1.333 177.999 176.600 0.109 0.000 1.220 576 K CA 0.584 56.928 56.287 0.096 0.000 0.966 576 K CB 0.154 32.704 32.500 0.083 0.000 1.049 576 K HN 0.292 nan 8.250 nan 0.000 0.554 577 L N 0.836 122.161 121.223 0.170 0.000 2.731 577 L HA 0.289 4.629 4.340 -0.000 0.000 0.240 577 L C 0.609 177.597 176.870 0.197 0.000 1.120 577 L CA -0.206 54.758 54.840 0.206 0.000 0.913 577 L CB 0.339 42.583 42.059 0.308 0.000 1.213 577 L HN 0.015 nan 8.230 nan 0.000 0.515 578 R N -0.294 120.300 120.500 0.157 0.000 2.734 578 R HA 0.587 4.927 4.340 -0.000 0.000 0.271 578 R C -3.128 173.156 176.300 -0.025 0.000 1.021 578 R CA -1.551 54.573 56.100 0.040 0.000 0.893 578 R CB 0.925 31.225 30.300 0.001 0.000 1.244 578 R HN -0.333 nan 8.270 nan 0.000 0.464 579 P HA 0.164 nan 4.420 nan 0.000 0.274 579 P C -0.593 176.583 177.300 -0.206 0.000 1.231 579 P CA -0.325 62.702 63.100 -0.122 0.000 0.790 579 P CB 0.866 32.483 31.700 -0.138 0.000 0.951 580 A N 2.236 124.998 122.820 -0.097 0.000 2.507 580 A HA 0.189 4.509 4.320 -0.000 0.000 0.235 580 A C -0.322 177.195 177.584 -0.111 0.000 1.070 580 A CA 0.117 52.130 52.037 -0.040 0.000 0.768 580 A CB -0.701 18.337 19.000 0.062 0.000 1.011 580 A HN 0.412 nan 8.150 nan 0.000 0.502 581 F N 2.174 122.230 119.950 0.176 0.000 2.424 581 F HA 0.364 4.891 4.527 -0.000 0.000 0.356 581 F C -1.736 174.195 175.800 0.219 0.000 1.110 581 F CA -1.741 56.394 58.000 0.226 0.000 1.161 581 F CB 0.834 40.022 39.000 0.312 0.000 1.115 581 F HN 0.320 nan 8.300 nan 0.000 0.507 582 P HA 0.173 nan 4.420 nan 0.000 0.275 582 P C -2.631 174.648 177.300 -0.036 0.000 1.228 582 P CA -1.484 61.682 63.100 0.110 0.000 0.786 582 P CB 0.002 31.730 31.700 0.047 0.000 0.927 583 P HA 0.133 nan 4.420 nan 0.000 0.271 583 P C -0.274 176.644 177.300 -0.637 0.000 1.226 583 P CA 0.165 62.716 63.100 -0.914 0.000 0.765 583 P CB 0.346 31.768 31.700 -0.463 0.000 0.835 584 K N 2.384 122.323 120.400 -0.769 0.000 2.263 584 K HA 0.556 4.875 4.320 -0.000 0.000 0.249 584 K C -0.674 175.827 176.600 -0.166 0.000 1.076 584 K CA -1.154 54.969 56.287 -0.273 0.000 0.884 584 K CB 0.758 33.208 32.500 -0.084 0.000 1.394 584 K HN 0.050 nan 8.250 nan 0.000 0.476 585 I N 1.638 122.181 120.570 -0.045 0.000 2.588 585 I HA 0.085 4.255 4.170 -0.000 0.000 0.283 585 I C 0.466 176.609 176.117 0.042 0.000 1.119 585 I CA 0.058 61.363 61.300 0.008 0.000 1.419 585 I CB 0.559 38.567 38.000 0.014 0.000 1.394 585 I HN 0.476 nan 8.210 nan 0.000 0.562 586 R N 5.871 126.410 120.500 0.066 0.000 2.278 586 R HA 0.432 4.772 4.340 -0.000 0.000 0.322 586 R C -1.313 174.974 176.300 -0.021 0.000 1.058 586 R CA -0.281 55.841 56.100 0.037 0.000 0.991 586 R CB 0.374 30.747 30.300 0.122 0.000 1.140 586 R HN 0.795 nan 8.270 nan 0.000 0.518 587 T N 0.382 114.875 114.554 -0.103 0.000 2.909 587 T HA 0.420 4.770 4.350 -0.000 0.000 0.299 587 T C -0.807 173.795 174.700 -0.163 0.000 1.073 587 T CA -0.654 61.415 62.100 -0.052 0.000 0.999 587 T CB 1.259 70.145 68.868 0.031 0.000 1.098 587 T HN 0.307 nan 8.240 nan 0.000 0.477 588 Y N 0.000 120.333 120.300 0.055 0.000 2.660 588 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 588 Y CA 0.000 58.125 58.100 0.041 0.000 1.940 588 Y CB 0.000 38.478 38.460 0.030 0.000 1.050 588 Y HN 0.000 nan 8.280 nan 0.000 0.758