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 2ws3_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 0.000 176.319 176.300 0.032 0.000 1.140 1 M CA 0.000 55.325 55.300 0.041 0.000 0.988 1 M CB 0.000 32.636 32.600 0.059 0.000 1.302 2 K N 1.412 121.830 120.400 0.030 0.000 2.440 2 K HA 0.421 4.741 4.320 -0.000 0.000 0.206 2 K C -0.788 175.833 176.600 0.035 0.000 1.025 2 K CA -0.017 56.286 56.287 0.027 0.000 1.135 2 K CB 0.585 33.097 32.500 0.020 0.000 0.856 2 K HN 0.560 nan 8.250 nan 0.000 0.502 3 L N 1.130 122.382 121.223 0.048 0.000 2.354 3 L HA 0.464 4.803 4.340 -0.000 0.000 0.269 3 L C -2.464 174.439 176.870 0.055 0.000 1.005 3 L CA -2.193 52.684 54.840 0.060 0.000 0.819 3 L CB 1.741 43.849 42.059 0.080 0.000 1.311 3 L HN -0.107 nan 8.230 nan 0.000 0.423 4 P HA 0.168 nan 4.420 nan 0.000 0.268 4 P C -1.254 176.024 177.300 -0.038 0.000 1.204 4 P CA -0.102 62.998 63.100 -0.000 0.000 0.768 4 P CB 0.564 32.266 31.700 0.003 0.000 0.842 5 V N 5.416 125.278 119.914 -0.087 0.000 2.384 5 V HA 0.364 4.484 4.120 -0.000 0.000 0.287 5 V C 0.440 176.363 176.094 -0.284 0.000 1.020 5 V CA -0.509 61.676 62.300 -0.190 0.000 0.850 5 V CB 1.226 32.957 31.823 -0.154 0.000 0.987 5 V HN 0.431 nan 8.190 nan 0.000 0.436 6 R N 3.316 123.565 120.500 -0.418 0.000 2.310 6 R HA 0.477 4.817 4.340 -0.000 0.000 0.324 6 R C -0.407 175.681 176.300 -0.353 0.000 0.955 6 R CA -0.481 55.378 56.100 -0.403 0.000 0.830 6 R CB 2.074 32.074 30.300 -0.499 0.000 1.154 6 R HN 0.785 nan 8.270 nan 0.000 0.458 7 E N 3.602 123.522 120.200 -0.467 0.000 2.191 7 E HA 0.395 4.745 4.350 -0.000 0.000 0.278 7 E C -1.193 175.022 176.600 -0.640 0.000 0.972 7 E CA -0.402 55.770 56.400 -0.380 0.000 0.804 7 E CB 0.756 30.285 29.700 -0.284 0.000 1.110 7 E HN 0.297 nan 8.360 nan 0.000 0.394 8 F N 1.485 121.406 119.950 -0.048 0.000 2.664 8 F HA 0.240 4.767 4.527 0.000 0.000 0.317 8 F C 0.863 176.649 175.800 -0.022 0.000 1.108 8 F CA -0.861 57.130 58.000 -0.015 0.000 0.957 8 F CB 1.507 40.517 39.000 0.017 0.000 1.365 8 F HN 0.415 nan 8.300 nan 0.000 0.475 9 D N 0.607 121.114 120.400 0.178 0.000 2.123 9 D HA 0.142 4.782 4.640 -0.000 0.000 0.200 9 D C 0.243 176.583 176.300 0.065 0.000 0.976 9 D CA 1.229 55.278 54.000 0.082 0.000 0.831 9 D CB 0.178 41.006 40.800 0.047 0.000 0.974 9 D HN 0.411 nan 8.370 nan 0.000 0.469 10 A N 0.054 122.917 122.820 0.071 0.000 2.449 10 A HA 0.558 4.877 4.320 -0.000 0.000 0.302 10 A C -1.104 176.450 177.584 -0.049 0.000 1.048 10 A CA -0.541 51.486 52.037 -0.016 0.000 0.708 10 A CB 2.102 21.047 19.000 -0.093 0.000 1.274 10 A HN -0.101 nan 8.150 nan 0.000 0.410 11 V N 2.528 122.395 119.914 -0.079 0.000 2.378 11 V HA 0.379 4.498 4.120 -0.000 0.000 0.288 11 V C -0.455 175.539 176.094 -0.168 0.000 1.016 11 V CA -0.508 61.684 62.300 -0.179 0.000 0.840 11 V CB 1.525 33.261 31.823 -0.145 0.000 0.994 11 V HN 0.651 nan 8.190 nan 0.000 0.431 12 V N 6.883 126.678 119.914 -0.198 0.000 2.318 12 V HA 0.390 4.510 4.120 -0.000 0.000 0.271 12 V C 0.177 176.167 176.094 -0.173 0.000 1.030 12 V CA -0.275 61.935 62.300 -0.151 0.000 0.844 12 V CB 1.168 32.916 31.823 -0.125 0.000 1.015 12 V HN 0.689 nan 8.190 nan 0.000 0.460 13 I N 5.334 125.814 120.570 -0.150 0.000 2.329 13 I HA 0.578 4.748 4.170 -0.000 0.000 0.295 13 I C 0.906 176.954 176.117 -0.114 0.000 1.109 13 I CA 0.498 61.702 61.300 -0.160 0.000 1.297 13 I CB 0.344 38.257 38.000 -0.145 0.000 1.433 13 I HN 0.828 nan 8.210 nan 0.000 0.509 14 G N 4.547 113.281 108.800 -0.109 0.000 3.326 14 G HA2 0.188 4.148 3.960 -0.000 0.000 0.681 14 G HA3 0.188 4.148 3.960 -0.000 0.000 0.681 14 G C -0.474 174.385 174.900 -0.068 0.000 1.255 14 G CA -0.414 44.641 45.100 -0.075 0.000 0.976 14 G HN 0.812 nan 8.290 nan 0.000 0.563 15 A N 1.575 124.355 122.820 -0.065 0.000 3.106 15 A HA 0.795 5.114 4.320 -0.000 0.000 0.306 15 A C 1.271 178.812 177.584 -0.072 0.000 1.192 15 A CA 1.002 52.994 52.037 -0.074 0.000 0.994 15 A CB -0.180 18.761 19.000 -0.098 0.000 1.107 15 A HN 2.018 nan 8.150 nan 0.000 0.585 16 G N -0.772 108.002 108.800 -0.044 0.000 2.510 16 G HA2 0.422 4.382 3.960 -0.000 0.000 0.280 16 G HA3 0.422 4.382 3.960 -0.000 0.000 0.280 16 G C 1.150 176.036 174.900 -0.023 0.000 1.386 16 G CA 0.102 45.184 45.100 -0.030 0.000 1.047 16 G HN 0.541 nan 8.290 nan 0.000 0.527 17 G N -0.168 108.628 108.800 -0.007 0.000 2.476 17 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.218 17 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.218 17 G C 1.919 176.827 174.900 0.014 0.000 1.164 17 G CA 2.072 47.173 45.100 0.002 0.000 0.768 17 G HN 0.944 nan 8.290 nan 0.000 0.560 18 A N 0.569 123.408 122.820 0.031 0.000 1.930 18 A HA 0.285 4.605 4.320 -0.000 0.000 0.215 18 A C 2.714 180.310 177.584 0.020 0.000 1.176 18 A CA 1.814 53.879 52.037 0.046 0.000 0.632 18 A CB -0.958 18.088 19.000 0.076 0.000 0.819 18 A HN 0.552 nan 8.150 nan 0.000 0.445 19 G N -0.382 108.417 108.800 -0.002 0.000 2.446 19 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.217 19 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.217 19 G C 1.604 176.485 174.900 -0.033 0.000 1.168 19 G CA 1.268 46.353 45.100 -0.025 0.000 0.771 19 G HN 0.446 nan 8.290 nan 0.000 0.551 20 M N -0.534 119.047 119.600 -0.031 0.000 2.419 20 M HA 0.102 4.581 4.480 -0.000 0.000 0.264 20 M C 2.527 178.809 176.300 -0.031 0.000 1.082 20 M CA 0.782 56.060 55.300 -0.036 0.000 1.119 20 M CB 0.018 32.598 32.600 -0.033 0.000 1.398 20 M HN 0.158 nan 8.290 nan 0.000 0.453 21 R N 0.963 121.454 120.500 -0.016 0.000 2.075 21 R HA 0.079 4.418 4.340 -0.000 0.000 0.226 21 R C 2.059 178.352 176.300 -0.012 0.000 1.114 21 R CA 1.680 57.774 56.100 -0.010 0.000 0.972 21 R CB -0.578 29.726 30.300 0.007 0.000 0.869 21 R HN 0.254 nan 8.270 nan 0.000 0.437 22 A N 0.495 123.310 122.820 -0.008 0.000 1.877 22 A HA -0.049 4.271 4.320 -0.000 0.000 0.216 22 A C 2.367 179.925 177.584 -0.044 0.000 1.186 22 A CA 1.806 53.831 52.037 -0.019 0.000 0.620 22 A CB -1.152 17.838 19.000 -0.017 0.000 0.822 22 A HN 0.466 nan 8.150 nan 0.000 0.443 23 A N -0.555 122.234 122.820 -0.052 0.000 1.883 23 A HA -0.090 4.230 4.320 -0.000 0.000 0.217 23 A C 2.135 179.686 177.584 -0.055 0.000 1.186 23 A CA 1.815 53.813 52.037 -0.064 0.000 0.624 23 A CB -0.724 18.233 19.000 -0.071 0.000 0.822 23 A HN 0.654 nan 8.150 nan 0.000 0.444 24 L N -0.698 120.495 121.223 -0.050 0.000 2.079 24 L HA -0.192 4.147 4.340 -0.000 0.000 0.210 24 L C 2.477 179.324 176.870 -0.039 0.000 1.081 24 L CA 2.621 57.432 54.840 -0.048 0.000 0.752 24 L CB -0.534 41.496 42.059 -0.048 0.000 0.896 24 L HN 0.531 nan 8.230 nan 0.000 0.433 25 Q N -0.513 119.266 119.800 -0.035 0.000 2.096 25 Q HA -0.058 4.282 4.340 -0.000 0.000 0.197 25 Q C 2.112 178.089 176.000 -0.039 0.000 0.964 25 Q CA 1.656 57.440 55.803 -0.032 0.000 0.838 25 Q CB -0.261 28.463 28.738 -0.024 0.000 0.906 25 Q HN 0.609 nan 8.270 nan 0.000 0.444 26 I N -0.162 120.379 120.570 -0.048 0.000 2.264 26 I HA -0.270 3.900 4.170 -0.000 0.000 0.248 26 I C 2.347 178.441 176.117 -0.038 0.000 1.111 26 I CA 1.325 62.592 61.300 -0.055 0.000 1.382 26 I CB -0.353 37.603 38.000 -0.074 0.000 1.060 26 I HN 0.193 nan 8.210 nan 0.000 0.418 27 S N 0.005 115.685 115.700 -0.032 0.000 2.371 27 S HA -0.188 4.282 4.470 -0.000 0.000 0.224 27 S C 1.942 176.533 174.600 -0.014 0.000 1.029 27 S CA 1.280 59.469 58.200 -0.018 0.000 0.978 27 S CB -0.060 63.127 63.200 -0.021 0.000 0.833 27 S HN 0.421 nan 8.310 nan 0.000 0.466 28 Q N 0.379 120.167 119.800 -0.021 0.000 2.436 28 Q HA 0.172 4.511 4.340 -0.000 0.000 0.209 28 Q C 1.322 177.310 176.000 -0.020 0.000 0.965 28 Q CA 0.627 56.419 55.803 -0.018 0.000 0.910 28 Q CB 0.122 28.848 28.738 -0.021 0.000 0.980 28 Q HN 0.337 nan 8.270 nan 0.000 0.491 29 S N -0.418 115.268 115.700 -0.025 0.000 2.710 29 S HA 0.162 4.632 4.470 -0.000 0.000 0.224 29 S C 0.894 175.483 174.600 -0.018 0.000 0.948 29 S CA 0.427 58.611 58.200 -0.027 0.000 0.949 29 S CB 0.341 63.518 63.200 -0.037 0.000 0.778 29 S HN 0.604 nan 8.310 nan 0.000 0.498 30 G N 1.639 110.432 108.800 -0.012 0.000 2.249 30 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.273 30 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.273 30 G C -0.261 174.639 174.900 -0.001 0.000 1.036 30 G CA 0.006 45.103 45.100 -0.005 0.000 0.824 30 G HN 0.521 nan 8.290 nan 0.000 0.504 31 Q N 0.065 119.865 119.800 -0.000 0.000 2.342 31 Q HA 0.588 4.927 4.340 -0.000 0.000 0.267 31 Q C 0.617 176.637 176.000 0.033 0.000 1.038 31 Q CA -0.194 55.615 55.803 0.010 0.000 0.832 31 Q CB 1.544 30.279 28.738 -0.005 0.000 1.323 31 Q HN 0.439 nan 8.270 nan 0.000 0.448 32 T N -1.629 112.965 114.554 0.066 0.000 2.901 32 T HA 0.348 4.698 4.350 -0.000 0.000 0.301 32 T C -0.154 174.648 174.700 0.170 0.000 1.012 32 T CA -0.650 61.535 62.100 0.141 0.000 1.135 32 T CB 0.589 69.564 68.868 0.178 0.000 0.936 32 T HN 0.658 nan 8.240 nan 0.000 0.539 33 C N 2.835 122.224 119.300 0.150 0.000 2.701 33 C HA 0.772 5.232 4.460 -0.000 0.000 0.336 33 C C -0.290 174.592 174.990 -0.180 0.000 1.123 33 C CA -0.410 58.605 59.018 -0.006 0.000 1.326 33 C CB 0.087 27.802 27.740 -0.042 0.000 1.833 33 C HN 1.325 nan 8.230 nan 0.000 0.473 34 A N 5.141 127.668 122.820 -0.488 0.000 2.276 34 A HA 0.712 5.032 4.320 -0.000 0.000 0.316 34 A C -0.983 176.401 177.584 -0.334 0.000 1.229 34 A CA -0.422 51.242 52.037 -0.622 0.000 0.851 34 A CB 0.787 18.984 19.000 -1.339 0.000 1.165 34 A HN 1.168 nan 8.150 nan 0.000 0.513 35 L N 3.721 124.844 121.223 -0.168 0.000 2.262 35 L HA 0.576 4.916 4.340 -0.000 0.000 0.288 35 L C -1.037 175.769 176.870 -0.107 0.000 1.035 35 L CA -0.268 54.488 54.840 -0.140 0.000 0.820 35 L CB 0.685 42.685 42.059 -0.098 0.000 1.204 35 L HN 0.593 nan 8.230 nan 0.000 0.424 36 L N 3.820 124.924 121.223 -0.199 0.000 2.343 36 L HA 0.724 5.064 4.340 -0.000 0.000 0.275 36 L C 0.123 176.950 176.870 -0.073 0.000 1.056 36 L CA 0.202 54.935 54.840 -0.179 0.000 0.804 36 L CB 1.800 43.637 42.059 -0.370 0.000 1.203 36 L HN 0.669 nan 8.230 nan 0.000 0.440 37 S N 0.183 115.899 115.700 0.027 0.000 2.543 37 S HA 0.331 4.800 4.470 -0.000 0.000 0.271 37 S C 0.295 174.957 174.600 0.104 0.000 1.148 37 S CA -0.735 57.482 58.200 0.029 0.000 0.914 37 S CB 1.054 64.251 63.200 -0.005 0.000 1.096 37 S HN 0.714 nan 8.310 nan 0.000 0.471 38 K N 2.021 122.471 120.400 0.083 0.000 2.432 38 K HA 0.152 4.472 4.320 -0.000 0.000 0.196 38 K C 0.662 177.341 176.600 0.132 0.000 1.038 38 K CA 0.730 57.099 56.287 0.138 0.000 0.986 38 K CB -0.272 32.343 32.500 0.192 0.000 0.782 38 K HN 0.438 nan 8.250 nan 0.000 0.485 39 V N -2.234 117.752 119.914 0.120 0.000 3.126 39 V HA 0.463 4.583 4.120 -0.000 0.000 0.314 39 V C -0.383 175.807 176.094 0.159 0.000 1.138 39 V CA -1.515 60.875 62.300 0.150 0.000 1.034 39 V CB 1.070 32.972 31.823 0.132 0.000 1.075 39 V HN 0.108 nan 8.190 nan 0.000 0.442 40 F N 3.832 123.802 119.950 0.032 0.000 2.608 40 F HA 0.339 4.866 4.527 -0.000 0.000 0.380 40 F C -1.438 174.291 175.800 -0.118 0.000 1.083 40 F CA -1.094 56.886 58.000 -0.034 0.000 1.266 40 F CB 0.894 39.860 39.000 -0.056 0.000 1.076 40 F HN 0.453 nan 8.300 nan 0.000 0.574 41 P HA -0.261 nan 4.420 nan 0.000 0.219 41 P C 1.314 178.304 177.300 -0.517 0.000 1.153 41 P CA 2.762 65.502 63.100 -0.600 0.000 0.865 41 P CB -0.271 31.012 31.700 -0.696 0.000 0.788 42 T N -4.148 110.009 114.554 -0.661 0.000 3.219 42 T HA 0.099 4.449 4.350 -0.000 0.000 0.249 42 T C 1.180 175.819 174.700 -0.102 0.000 1.099 42 T CA -0.003 61.847 62.100 -0.416 0.000 0.988 42 T CB -0.465 68.005 68.868 -0.664 0.000 0.999 42 T HN 0.048 nan 8.240 nan 0.000 0.550 43 R N 0.811 121.312 120.500 0.001 0.000 2.397 43 R HA 0.325 4.665 4.340 -0.000 0.000 0.241 43 R C 0.351 176.695 176.300 0.072 0.000 0.914 43 R CA -0.133 56.019 56.100 0.087 0.000 1.071 43 R CB 0.066 30.452 30.300 0.143 0.000 1.116 43 R HN 0.318 nan 8.270 nan 0.000 0.524 44 S N 1.187 116.897 115.700 0.017 0.000 2.573 44 S HA -0.053 4.417 4.470 -0.000 0.000 0.277 44 S C 1.102 175.755 174.600 0.088 0.000 1.346 44 S CA -0.197 58.027 58.200 0.041 0.000 1.034 44 S CB 0.709 63.901 63.200 -0.012 0.000 0.879 44 S HN 0.358 nan 8.310 nan 0.000 0.528 45 H N 2.163 121.238 119.070 0.010 0.000 2.457 45 H HA -0.086 4.470 4.556 -0.000 0.000 0.297 45 H C 1.857 177.201 175.328 0.026 0.000 1.092 45 H CA 2.199 58.257 56.048 0.017 0.000 1.309 45 H CB -0.587 29.176 29.762 0.001 0.000 1.382 45 H HN 0.625 nan 8.280 nan 0.000 0.535 46 T N -0.653 113.873 114.554 -0.048 0.000 2.822 46 T HA -0.177 4.173 4.350 -0.000 0.000 0.270 46 T C 2.168 176.825 174.700 -0.071 0.000 1.064 46 T CA 1.134 63.190 62.100 -0.075 0.000 1.131 46 T CB -0.624 68.233 68.868 -0.019 0.000 0.858 46 T HN 0.259 nan 8.240 nan 0.000 0.483 47 V N 1.122 121.014 119.914 -0.037 0.000 2.594 47 V HA -0.128 3.992 4.120 -0.000 0.000 0.253 47 V C 2.100 178.222 176.094 0.046 0.000 1.069 47 V CA 1.855 64.188 62.300 0.054 0.000 1.082 47 V CB -0.400 31.488 31.823 0.108 0.000 0.680 47 V HN 0.445 nan 8.190 nan 0.000 0.469 48 S N 0.201 115.844 115.700 -0.095 0.000 2.558 48 S HA 0.378 4.847 4.470 -0.000 0.000 0.217 48 S C 0.927 175.470 174.600 -0.094 0.000 0.975 48 S CA 0.383 58.520 58.200 -0.104 0.000 0.912 48 S CB -0.073 63.005 63.200 -0.204 0.000 0.776 48 S HN 0.710 nan 8.310 nan 0.000 0.526 49 A N 1.348 124.111 122.820 -0.096 0.000 2.462 49 A HA 0.328 4.647 4.320 -0.000 0.000 0.243 49 A C 0.832 178.440 177.584 0.039 0.000 1.076 49 A CA -0.043 51.984 52.037 -0.017 0.000 0.773 49 A CB 0.370 19.366 19.000 -0.006 0.000 1.010 49 A HN 0.430 nan 8.150 nan 0.000 0.493 50 Q N 1.807 121.652 119.800 0.075 0.000 2.579 50 Q HA 0.123 4.462 4.340 -0.000 0.000 0.198 50 Q C 2.155 178.226 176.000 0.118 0.000 0.769 50 Q CA 0.470 56.327 55.803 0.090 0.000 0.861 50 Q CB -0.079 28.712 28.738 0.087 0.000 1.227 50 Q HN 0.877 nan 8.270 nan 0.000 0.615 51 G N 0.762 109.673 108.800 0.186 0.000 2.514 51 G HA2 0.102 4.062 3.960 -0.000 0.000 0.217 51 G HA3 0.102 4.062 3.960 -0.000 0.000 0.217 51 G C 0.637 175.512 174.900 -0.043 0.000 1.198 51 G CA 1.136 46.371 45.100 0.225 0.000 0.780 51 G HN 0.554 nan 8.290 nan 0.000 0.565 52 G N -1.545 107.177 108.800 -0.131 0.000 2.350 52 G HA2 0.297 4.256 3.960 -0.000 0.000 0.282 52 G HA3 0.297 4.256 3.960 -0.000 0.000 0.282 52 G C -1.480 173.326 174.900 -0.157 0.000 1.314 52 G CA -0.514 44.514 45.100 -0.121 0.000 0.915 52 G HN 0.552 nan 8.290 nan 0.000 0.499 53 I N 1.170 121.680 120.570 -0.100 0.000 2.355 53 I HA 0.389 4.558 4.170 -0.000 0.000 0.288 53 I C 0.160 176.176 176.117 -0.167 0.000 0.999 53 I CA -0.646 60.605 61.300 -0.081 0.000 1.163 53 I CB 1.951 39.967 38.000 0.028 0.000 1.316 53 I HN 0.335 nan 8.210 nan 0.000 0.454 54 T N 5.967 120.415 114.554 -0.176 0.000 2.779 54 T HA 0.412 4.762 4.350 -0.000 0.000 0.296 54 T C -0.366 174.185 174.700 -0.249 0.000 0.938 54 T CA -0.172 61.785 62.100 -0.238 0.000 1.119 54 T CB 0.935 69.692 68.868 -0.185 0.000 0.891 54 T HN 0.419 nan 8.240 nan 0.000 0.526 55 V N 2.751 122.471 119.914 -0.323 0.000 2.915 55 V HA 0.578 4.698 4.120 -0.000 0.000 0.282 55 V C -0.689 175.279 176.094 -0.210 0.000 1.445 55 V CA -0.963 61.203 62.300 -0.223 0.000 0.953 55 V CB 1.566 33.317 31.823 -0.121 0.000 1.140 55 V HN 0.974 nan 8.190 nan 0.000 0.440 56 A N 6.768 129.525 122.820 -0.105 0.000 3.030 56 A HA 0.375 4.695 4.320 -0.000 0.000 0.273 56 A C 0.891 178.407 177.584 -0.114 0.000 1.841 56 A CA 0.194 52.179 52.037 -0.087 0.000 1.479 56 A CB -0.579 18.438 19.000 0.029 0.000 1.048 56 A HN 0.978 nan 8.150 nan 0.000 0.612 57 L N 1.320 122.439 121.223 -0.173 0.000 2.209 57 L HA 0.134 4.473 4.340 -0.000 0.000 0.207 57 L C 1.784 178.545 176.870 -0.181 0.000 1.094 57 L CA 0.742 55.477 54.840 -0.175 0.000 0.790 57 L CB -0.329 41.600 42.059 -0.217 0.000 0.932 57 L HN 0.805 nan 8.230 nan 0.000 0.447 58 G N 0.833 109.490 108.800 -0.238 0.000 2.298 58 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.287 58 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.287 58 G C 0.382 175.151 174.900 -0.220 0.000 1.075 58 G CA 0.482 45.418 45.100 -0.274 0.000 0.960 58 G HN 0.309 nan 8.290 nan 0.000 0.502 59 N N -0.485 118.078 118.700 -0.228 0.000 2.368 59 N HA 0.014 4.754 4.740 -0.000 0.000 0.178 59 N C 2.381 177.812 175.510 -0.132 0.000 1.021 59 N CA 1.544 54.500 53.050 -0.157 0.000 0.875 59 N CB -0.315 38.081 38.487 -0.151 0.000 1.020 59 N HN 0.367 nan 8.380 nan 0.000 0.433 60 T N 0.180 114.624 114.554 -0.184 0.000 2.857 60 T HA -0.053 4.296 4.350 -0.000 0.000 0.266 60 T C 0.187 174.901 174.700 0.024 0.000 1.048 60 T CA 1.293 63.344 62.100 -0.082 0.000 1.139 60 T CB -0.171 68.651 68.868 -0.076 0.000 0.874 60 T HN 0.592 nan 8.240 nan 0.000 0.455 61 H N -1.164 117.893 119.070 -0.021 0.000 3.017 61 H HA 0.658 5.214 4.556 -0.000 0.000 0.346 61 H C -0.943 174.395 175.328 0.016 0.000 1.286 61 H CA -1.174 54.880 56.048 0.010 0.000 1.120 61 H CB 0.676 30.458 29.762 0.032 0.000 1.860 61 H HN -0.040 nan 8.280 nan 0.000 0.542 62 E N 0.584 120.872 120.200 0.146 0.000 2.529 62 E HA 0.056 4.406 4.350 -0.000 0.000 0.259 62 E C -0.791 175.913 176.600 0.172 0.000 0.966 62 E CA 0.518 56.969 56.400 0.085 0.000 0.937 62 E CB 0.406 30.173 29.700 0.110 0.000 0.923 62 E HN 0.522 nan 8.360 nan 0.000 0.468 63 D N 2.222 122.568 120.400 -0.090 0.000 2.592 63 D HA 0.379 5.019 4.640 -0.000 0.000 0.263 63 D C -1.586 174.364 176.300 -0.583 0.000 1.132 63 D CA -0.625 53.269 54.000 -0.177 0.000 0.996 63 D CB 1.371 42.069 40.800 -0.171 0.000 1.442 63 D HN 0.378 nan 8.370 nan 0.000 0.486 64 N N 1.182 119.370 118.700 -0.854 0.000 2.369 64 N HA 0.065 4.805 4.740 -0.000 0.000 0.287 64 N C 0.984 176.189 175.510 -0.508 0.000 1.067 64 N CA -0.629 51.854 53.050 -0.945 0.000 0.888 64 N CB 0.988 38.386 38.487 -1.816 0.000 1.616 64 N HN 0.656 nan 8.380 nan 0.000 0.482 65 W N 3.854 125.009 121.300 -0.242 0.000 2.350 65 W HA -0.065 4.595 4.660 -0.000 0.000 0.289 65 W C 0.521 177.057 176.519 0.029 0.000 1.215 65 W CA 0.732 58.046 57.345 -0.051 0.000 1.236 65 W CB -0.263 29.169 29.460 -0.046 0.000 1.130 65 W HN 0.581 nan 8.180 nan 0.000 0.541 66 E N 0.207 119.869 120.200 -0.897 0.000 2.106 66 E HA -0.186 4.164 4.350 -0.000 0.000 0.192 66 E C 1.989 178.599 176.600 0.017 0.000 0.984 66 E CA 1.799 57.844 56.400 -0.591 0.000 0.806 66 E CB -0.581 28.771 29.700 -0.581 0.000 0.750 66 E HN 0.212 nan 8.360 nan 0.000 0.458 67 W N 0.555 121.643 121.300 -0.354 0.000 2.358 67 W HA -0.155 4.505 4.660 -0.000 0.000 0.303 67 W C 2.129 178.663 176.519 0.025 0.000 1.208 67 W CA 0.985 58.115 57.345 -0.358 0.000 1.274 67 W CB -1.379 27.864 29.460 -0.362 0.000 1.138 67 W HN 0.347 nan 8.180 nan 0.000 0.515 68 H N -0.670 118.522 119.070 0.204 0.000 2.428 68 H HA -0.120 4.436 4.556 -0.000 0.000 0.296 68 H C 2.281 177.721 175.328 0.187 0.000 1.062 68 H CA 1.410 57.569 56.048 0.185 0.000 1.350 68 H CB -0.095 29.763 29.762 0.159 0.000 1.403 68 H HN 0.010 nan 8.280 nan 0.000 0.533 69 M N 0.194 119.895 119.600 0.168 0.000 2.117 69 M HA -0.229 4.251 4.480 -0.000 0.000 0.262 69 M C 2.157 178.473 176.300 0.027 0.000 1.065 69 M CA 1.671 57.061 55.300 0.151 0.000 1.114 69 M CB -0.337 32.511 32.600 0.414 0.000 1.361 69 M HN 0.368 nan 8.290 nan 0.000 0.408 70 Y N 1.320 121.528 120.300 -0.154 0.000 2.145 70 Y HA -0.304 4.246 4.550 -0.000 0.000 0.286 70 Y C 1.816 177.543 175.900 -0.287 0.000 1.145 70 Y CA 2.240 59.997 58.100 -0.572 0.000 1.148 70 Y CB -0.478 37.834 38.460 -0.247 0.000 0.981 70 Y HN 0.320 nan 8.280 nan 0.000 0.507 71 D N -0.716 119.694 120.400 0.017 0.000 2.149 71 D HA -0.158 4.482 4.640 -0.000 0.000 0.198 71 D C 2.078 178.326 176.300 -0.086 0.000 0.990 71 D CA 1.999 56.007 54.000 0.013 0.000 0.839 71 D CB -0.347 40.584 40.800 0.217 0.000 0.948 71 D HN 0.426 nan 8.370 nan 0.000 0.460 72 T N 0.147 114.661 114.554 -0.067 0.000 2.851 72 T HA -0.036 4.313 4.350 -0.000 0.000 0.262 72 T C 2.297 176.902 174.700 -0.159 0.000 1.043 72 T CA 0.489 62.555 62.100 -0.058 0.000 1.140 72 T CB -0.211 68.627 68.868 -0.050 0.000 0.872 72 T HN -0.038 nan 8.240 nan 0.000 0.446 73 V N 1.744 121.500 119.914 -0.264 0.000 2.295 73 V HA -0.167 3.952 4.120 -0.000 0.000 0.246 73 V C 2.537 178.253 176.094 -0.630 0.000 1.049 73 V CA 1.633 63.735 62.300 -0.330 0.000 1.024 73 V CB -0.538 31.140 31.823 -0.241 0.000 0.648 73 V HN 0.414 nan 8.190 nan 0.000 0.447 74 K N 0.273 120.207 120.400 -0.777 0.000 2.002 74 K HA -0.151 4.169 4.320 -0.000 0.000 0.209 74 K C 2.252 178.596 176.600 -0.427 0.000 1.048 74 K CA 1.665 57.449 56.287 -0.837 0.000 0.930 74 K CB -0.789 31.256 32.500 -0.757 0.000 0.714 74 K HN 0.463 nan 8.250 nan 0.000 0.438 75 G N 0.767 109.441 108.800 -0.209 0.000 2.556 75 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.220 75 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.220 75 G C 1.433 176.317 174.900 -0.027 0.000 1.156 75 G CA 1.612 46.708 45.100 -0.006 0.000 0.766 75 G HN 0.537 nan 8.290 nan 0.000 0.583 76 S N 0.024 115.668 115.700 -0.093 0.000 2.595 76 S HA -0.026 4.444 4.470 -0.000 0.000 0.235 76 S C 1.078 175.660 174.600 -0.030 0.000 0.974 76 S CA 1.153 59.332 58.200 -0.034 0.000 0.942 76 S CB -0.212 62.967 63.200 -0.035 0.000 0.766 76 S HN 0.382 nan 8.310 nan 0.000 0.536 77 D N 0.510 120.858 120.400 -0.088 0.000 2.701 77 D HA -0.265 4.375 4.640 -0.000 0.000 0.235 77 D C -0.433 175.938 176.300 0.118 0.000 1.155 77 D CA 1.039 55.048 54.000 0.014 0.000 0.649 77 D CB -1.938 38.926 40.800 0.108 0.000 1.050 77 D HN 0.691 nan 8.370 nan 0.000 0.425 78 Y N -3.632 116.678 120.300 0.016 0.000 4.798 78 Y HA -0.353 4.197 4.550 -0.000 0.000 0.237 78 Y C 1.651 177.556 175.900 0.009 0.000 1.017 78 Y CA 1.265 59.376 58.100 0.018 0.000 2.010 78 Y CB -2.304 36.169 38.460 0.022 0.000 1.582 78 Y HN 0.512 nan 8.280 nan 0.000 0.621 79 I N -2.189 118.426 120.570 0.076 0.000 3.941 79 I HA 0.518 4.688 4.170 -0.000 0.000 0.335 79 I C 1.248 177.362 176.117 -0.005 0.000 1.402 79 I CA 0.161 61.445 61.300 -0.026 0.000 1.112 79 I CB 0.248 38.204 38.000 -0.073 0.000 1.043 79 I HN 0.129 nan 8.210 nan 0.000 0.395 80 G N 1.635 110.467 108.800 0.054 0.000 2.364 80 G HA2 0.130 4.090 3.960 -0.000 0.000 0.267 80 G HA3 0.130 4.090 3.960 -0.000 0.000 0.267 80 G C -0.483 174.486 174.900 0.115 0.000 1.233 80 G CA -0.334 44.824 45.100 0.096 0.000 0.885 80 G HN 0.236 nan 8.290 nan 0.000 0.490 81 D N 2.252 122.751 120.400 0.165 0.000 2.472 81 D HA -0.014 4.626 4.640 -0.000 0.000 0.248 81 D C 1.273 177.646 176.300 0.122 0.000 1.174 81 D CA 0.556 54.646 54.000 0.150 0.000 0.883 81 D CB 1.619 42.497 40.800 0.130 0.000 1.149 81 D HN 0.521 nan 8.370 nan 0.000 0.488 82 Q N 1.261 121.143 119.800 0.137 0.000 2.245 82 Q HA -0.117 4.222 4.340 -0.000 0.000 0.201 82 Q C 1.581 177.684 176.000 0.173 0.000 0.955 82 Q CA 0.643 56.547 55.803 0.168 0.000 0.870 82 Q CB 0.271 29.130 28.738 0.202 0.000 0.945 82 Q HN 0.526 nan 8.270 nan 0.000 0.461 83 D N 0.684 121.167 120.400 0.139 0.000 2.149 83 D HA -0.193 4.447 4.640 -0.000 0.000 0.198 83 D C 1.598 177.995 176.300 0.162 0.000 0.990 83 D CA 1.570 55.650 54.000 0.132 0.000 0.839 83 D CB -0.219 40.632 40.800 0.085 0.000 0.948 83 D HN 0.189 nan 8.370 nan 0.000 0.460 84 A N 0.678 123.588 122.820 0.149 0.000 1.897 84 A HA 0.059 4.379 4.320 -0.000 0.000 0.215 84 A C 2.582 180.339 177.584 0.289 0.000 1.181 84 A CA 0.876 53.041 52.037 0.213 0.000 0.620 84 A CB -0.690 18.362 19.000 0.087 0.000 0.821 84 A HN 0.257 nan 8.150 nan 0.000 0.443 85 I N -0.489 120.196 120.570 0.192 0.000 2.394 85 I HA -0.215 3.955 4.170 -0.000 0.000 0.251 85 I C 2.517 178.736 176.117 0.169 0.000 1.136 85 I CA 1.462 62.853 61.300 0.152 0.000 1.425 85 I CB -0.200 37.861 38.000 0.101 0.000 1.079 85 I HN 0.521 nan 8.210 nan 0.000 0.425 86 E N 0.675 121.008 120.200 0.222 0.000 2.051 86 E HA -0.295 4.054 4.350 -0.000 0.000 0.192 86 E C 2.270 178.902 176.600 0.053 0.000 0.991 86 E CA 1.501 58.041 56.400 0.234 0.000 0.799 86 E CB -0.195 29.661 29.700 0.260 0.000 0.748 86 E HN 0.482 nan 8.360 nan 0.000 0.449 87 Y N 0.996 121.293 120.300 -0.005 0.000 2.128 87 Y HA -0.269 4.280 4.550 -0.000 0.000 0.284 87 Y C 2.392 178.200 175.900 -0.154 0.000 1.154 87 Y CA 2.362 60.417 58.100 -0.075 0.000 1.149 87 Y CB -0.277 38.197 38.460 0.023 0.000 0.976 87 Y HN 0.076 nan 8.280 nan 0.000 0.505 88 M N -1.106 118.473 119.600 -0.035 0.000 2.067 88 M HA -0.247 4.233 4.480 -0.000 0.000 0.260 88 M C 2.212 178.383 176.300 -0.216 0.000 1.069 88 M CA 2.335 57.509 55.300 -0.209 0.000 1.117 88 M CB -0.657 31.935 32.600 -0.013 0.000 1.334 88 M HN 0.437 nan 8.290 nan 0.000 0.407 89 C N 0.435 119.658 119.300 -0.128 0.000 2.425 89 C HA -0.125 4.335 4.460 -0.000 0.000 0.277 89 C C 2.677 177.625 174.990 -0.069 0.000 1.280 89 C CA 1.328 60.312 59.018 -0.057 0.000 1.744 89 C CB -0.995 26.744 27.740 -0.003 0.000 1.989 89 C HN 0.600 nan 8.230 nan 0.000 0.491 90 K N 1.053 121.203 120.400 -0.416 0.000 2.007 90 K HA -0.081 4.239 4.320 -0.000 0.000 0.206 90 K C 1.912 178.176 176.600 -0.560 0.000 1.047 90 K CA 2.103 57.883 56.287 -0.846 0.000 0.937 90 K CB -0.746 30.948 32.500 -1.343 0.000 0.718 90 K HN 0.362 nan 8.250 nan 0.000 0.438 91 T N 0.302 114.509 114.554 -0.577 0.000 2.708 91 T HA -0.078 4.272 4.350 -0.000 0.000 0.266 91 T C 1.697 176.197 174.700 -0.334 0.000 1.037 91 T CA 1.370 63.159 62.100 -0.518 0.000 1.146 91 T CB -1.189 67.199 68.868 -0.799 0.000 0.865 91 T HN 0.516 nan 8.240 nan 0.000 0.435 92 G N 2.960 111.593 108.800 -0.278 0.000 2.913 92 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.269 92 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.269 92 G C -0.632 174.189 174.900 -0.132 0.000 1.091 92 G CA 1.764 46.774 45.100 -0.151 0.000 0.753 92 G HN 0.388 nan 8.290 nan 0.000 0.776 93 P HA -0.135 nan 4.420 nan 0.000 0.217 93 P C 1.749 178.970 177.300 -0.132 0.000 1.162 93 P CA 1.911 64.938 63.100 -0.121 0.000 0.901 93 P CB -0.153 31.483 31.700 -0.107 0.000 0.793 94 E N -0.526 119.591 120.200 -0.139 0.000 2.077 94 E HA -0.208 4.141 4.350 -0.000 0.000 0.193 94 E C 1.921 178.449 176.600 -0.120 0.000 0.989 94 E CA 1.378 57.702 56.400 -0.126 0.000 0.800 94 E CB -0.511 29.115 29.700 -0.122 0.000 0.746 94 E HN 0.069 nan 8.360 nan 0.000 0.452 95 A N 1.107 123.851 122.820 -0.127 0.000 1.933 95 A HA -0.152 4.167 4.320 -0.000 0.000 0.218 95 A C 2.051 179.592 177.584 -0.070 0.000 1.175 95 A CA 1.180 53.155 52.037 -0.103 0.000 0.628 95 A CB -0.326 18.597 19.000 -0.128 0.000 0.814 95 A HN 0.285 nan 8.150 nan 0.000 0.444 96 I N -0.286 120.241 120.570 -0.072 0.000 2.277 96 I HA -0.099 4.071 4.170 -0.000 0.000 0.243 96 I C 2.418 178.515 176.117 -0.034 0.000 1.094 96 I CA 0.745 62.031 61.300 -0.024 0.000 1.393 96 I CB -1.504 36.470 38.000 -0.044 0.000 1.078 96 I HN 0.258 nan 8.210 nan 0.000 0.417 97 L N 0.529 121.677 121.223 -0.125 0.000 2.129 97 L HA -0.256 4.083 4.340 -0.000 0.000 0.212 97 L C 2.513 179.196 176.870 -0.311 0.000 1.087 97 L CA 1.417 56.126 54.840 -0.219 0.000 0.757 97 L CB -0.532 41.376 42.059 -0.253 0.000 0.896 97 L HN 0.347 nan 8.230 nan 0.000 0.434 98 E N 0.438 120.527 120.200 -0.184 0.000 2.097 98 E HA -0.246 4.104 4.350 -0.000 0.000 0.196 98 E C 2.321 178.897 176.600 -0.040 0.000 1.000 98 E CA 1.217 57.553 56.400 -0.107 0.000 0.804 98 E CB -0.048 29.624 29.700 -0.046 0.000 0.740 98 E HN 0.470 nan 8.360 nan 0.000 0.454 99 L N 0.759 121.980 121.223 -0.003 0.000 2.083 99 L HA -0.165 4.175 4.340 -0.000 0.000 0.209 99 L C 2.736 179.640 176.870 0.056 0.000 1.083 99 L CA 0.950 55.809 54.840 0.032 0.000 0.752 99 L CB -0.498 41.596 42.059 0.058 0.000 0.899 99 L HN 0.182 nan 8.230 nan 0.000 0.433 100 E N 0.361 120.633 120.200 0.119 0.000 2.110 100 E HA -0.227 4.123 4.350 -0.000 0.000 0.193 100 E C 1.986 178.680 176.600 0.155 0.000 0.988 100 E CA 1.487 57.993 56.400 0.176 0.000 0.804 100 E CB -0.086 29.742 29.700 0.213 0.000 0.745 100 E HN 0.648 nan 8.360 nan 0.000 0.458 101 H N -1.012 118.091 119.070 0.055 0.000 2.491 101 H HA 0.027 4.583 4.556 -0.000 0.000 0.290 101 H C 1.896 177.226 175.328 0.005 0.000 1.050 101 H CA 0.618 56.680 56.048 0.023 0.000 1.309 101 H CB 0.113 29.881 29.762 0.011 0.000 1.392 101 H HN 0.136 nan 8.280 nan 0.000 0.554 102 M N -0.601 119.067 119.600 0.113 0.000 2.595 102 M HA 0.072 4.552 4.480 -0.000 0.000 0.248 102 M C 1.313 177.621 176.300 0.014 0.000 1.119 102 M CA 0.835 56.160 55.300 0.041 0.000 1.079 102 M CB 0.912 33.518 32.600 0.009 0.000 1.472 102 M HN 0.518 nan 8.290 nan 0.000 0.501 103 G N 1.109 109.924 108.800 0.026 0.000 2.184 103 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.206 103 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.206 103 G C -0.014 174.860 174.900 -0.043 0.000 0.995 103 G CA -0.562 44.541 45.100 0.005 0.000 0.651 103 G HN 0.400 nan 8.290 nan 0.000 0.511 104 L N 2.623 123.787 121.223 -0.100 0.000 2.601 104 L HA 0.303 4.643 4.340 -0.000 0.000 0.277 104 L C -1.227 175.481 176.870 -0.269 0.000 1.219 104 L CA -0.739 53.946 54.840 -0.258 0.000 0.915 104 L CB 0.716 42.497 42.059 -0.462 0.000 1.160 104 L HN 0.013 nan 8.230 nan 0.000 0.494 105 P HA 0.123 nan 4.420 nan 0.000 0.214 105 P C -0.633 176.626 177.300 -0.068 0.000 1.826 105 P CA -0.343 62.699 63.100 -0.097 0.000 0.977 105 P CB -0.284 31.386 31.700 -0.050 0.000 1.930 106 F N 0.507 120.473 119.950 0.026 0.000 2.602 106 F HA -0.014 4.513 4.527 -0.000 0.000 0.367 106 F C 1.725 177.547 175.800 0.036 0.000 1.126 106 F CA 0.807 58.827 58.000 0.034 0.000 1.321 106 F CB -0.079 38.939 39.000 0.029 0.000 1.094 106 F HN 0.075 nan 8.300 nan 0.000 0.594 107 S N 3.132 118.993 115.700 0.268 0.000 2.587 107 S HA 0.346 4.816 4.470 -0.000 0.000 0.260 107 S C 0.193 174.886 174.600 0.156 0.000 1.353 107 S CA -0.578 57.701 58.200 0.131 0.000 0.995 107 S CB 0.437 63.645 63.200 0.014 0.000 0.912 107 S HN 0.335 nan 8.310 nan 0.000 0.568 108 R N 0.448 120.993 120.500 0.074 0.000 2.744 108 R HA 0.505 4.845 4.340 -0.000 0.000 0.279 108 R C -0.701 175.660 176.300 0.102 0.000 0.977 108 R CA -0.666 55.491 56.100 0.095 0.000 0.906 108 R CB 0.783 31.119 30.300 0.061 0.000 1.197 108 R HN 0.495 nan 8.270 nan 0.000 0.463 109 L N 1.083 122.378 121.223 0.120 0.000 2.468 109 L HA 0.180 4.520 4.340 -0.000 0.000 0.254 109 L C 1.135 178.041 176.870 0.059 0.000 1.171 109 L CA -0.457 54.448 54.840 0.108 0.000 0.809 109 L CB 0.481 42.592 42.059 0.086 0.000 1.155 109 L HN 0.468 nan 8.230 nan 0.000 0.473 110 D N 0.151 120.581 120.400 0.050 0.000 2.218 110 D HA -0.157 4.482 4.640 -0.000 0.000 0.204 110 D C 1.203 177.520 176.300 0.027 0.000 0.976 110 D CA 1.121 55.141 54.000 0.033 0.000 0.853 110 D CB -0.202 40.615 40.800 0.029 0.000 0.939 110 D HN 0.619 nan 8.370 nan 0.000 0.481 111 D N -1.144 119.272 120.400 0.028 0.000 2.340 111 D HA 0.119 4.759 4.640 -0.000 0.000 0.220 111 D C 1.527 177.839 176.300 0.021 0.000 1.039 111 D CA 0.733 54.745 54.000 0.021 0.000 0.866 111 D CB 0.048 40.858 40.800 0.017 0.000 0.913 111 D HN 0.213 nan 8.370 nan 0.000 0.523 112 G N -0.121 108.696 108.800 0.027 0.000 2.195 112 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.224 112 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.224 112 G C 0.388 175.306 174.900 0.031 0.000 0.990 112 G CA -0.195 44.923 45.100 0.030 0.000 0.639 112 G HN 0.431 nan 8.290 nan 0.000 0.514 113 R N -0.211 120.301 120.500 0.020 0.000 2.583 113 R HA 0.612 4.952 4.340 -0.000 0.000 0.268 113 R C 0.756 177.056 176.300 0.001 0.000 1.101 113 R CA -0.692 55.407 56.100 -0.002 0.000 1.180 113 R CB 0.704 30.988 30.300 -0.027 0.000 1.128 113 R HN 0.250 nan 8.270 nan 0.000 0.568 114 I N 2.108 122.641 120.570 -0.063 0.000 2.668 114 I HA -0.127 4.043 4.170 -0.000 0.000 0.285 114 I C 0.256 176.333 176.117 -0.066 0.000 1.168 114 I CA 0.261 61.490 61.300 -0.118 0.000 1.424 114 I CB -0.120 37.637 38.000 -0.404 0.000 1.377 114 I HN 0.422 nan 8.210 nan 0.000 0.560 115 Y N 7.492 127.738 120.300 -0.090 0.000 2.610 115 Y HA 0.092 4.642 4.550 -0.000 0.000 0.332 115 Y C -0.087 175.755 175.900 -0.098 0.000 1.201 115 Y CA 0.116 58.181 58.100 -0.059 0.000 1.465 115 Y CB 0.389 38.849 38.460 -0.001 0.000 1.283 115 Y HN 0.505 nan 8.280 nan 0.000 0.563 116 Q N 6.213 125.577 119.800 -0.727 0.000 2.323 116 Q HA 0.402 4.742 4.340 -0.000 0.000 0.271 116 Q C -1.190 174.332 176.000 -0.797 0.000 1.048 116 Q CA -1.118 54.316 55.803 -0.616 0.000 0.792 116 Q CB 2.225 30.739 28.738 -0.373 0.000 1.280 116 Q HN 0.769 nan 8.270 nan 0.000 0.441 117 R N 0.912 121.100 120.500 -0.519 0.000 2.787 117 R HA 0.719 5.058 4.340 -0.000 0.000 0.271 117 R C -2.802 173.489 176.300 -0.015 0.000 0.993 117 R CA -2.157 53.795 56.100 -0.247 0.000 0.993 117 R CB 0.738 31.055 30.300 0.027 0.000 1.155 117 R HN 0.183 nan 8.270 nan 0.000 0.486 118 P HA 0.148 nan 4.420 nan 0.000 0.272 118 P C -1.344 176.124 177.300 0.280 0.000 1.223 118 P CA 0.022 63.201 63.100 0.131 0.000 0.784 118 P CB 0.330 32.081 31.700 0.085 0.000 0.923 119 F N -0.314 119.626 119.950 -0.015 0.000 2.713 119 F HA 0.480 5.007 4.527 -0.000 0.000 0.311 119 F C 0.264 176.042 175.800 -0.035 0.000 1.141 119 F CA -0.544 57.444 58.000 -0.020 0.000 0.939 119 F CB 1.219 40.207 39.000 -0.019 0.000 1.325 119 F HN 0.324 nan 8.300 nan 0.000 0.453 120 G N 0.987 109.694 108.800 -0.156 0.000 2.202 120 G HA2 0.403 4.363 3.960 -0.000 0.000 0.251 120 G HA3 0.403 4.363 3.960 -0.000 0.000 0.251 120 G C 0.635 175.514 174.900 -0.034 0.000 1.219 120 G CA 0.486 45.497 45.100 -0.149 0.000 0.943 120 G HN 1.722 nan 8.290 nan 0.000 0.465 121 G N 1.615 110.379 108.800 -0.060 0.000 2.368 121 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.290 121 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.290 121 G C -0.047 174.932 174.900 0.130 0.000 1.098 121 G CA 0.214 45.340 45.100 0.043 0.000 1.073 121 G HN 0.924 nan 8.290 nan 0.000 0.511 122 Q N -0.203 119.668 119.800 0.118 0.000 2.292 122 Q HA 0.636 4.976 4.340 -0.000 0.000 0.270 122 Q C -0.248 175.809 176.000 0.095 0.000 1.024 122 Q CA -0.213 55.666 55.803 0.126 0.000 0.768 122 Q CB 2.278 31.086 28.738 0.116 0.000 1.250 122 Q HN 0.832 nan 8.270 nan 0.000 0.447 123 S N 1.412 117.168 115.700 0.093 0.000 2.546 123 S HA 0.604 5.074 4.470 -0.000 0.000 0.274 123 S C -0.835 173.677 174.600 -0.147 0.000 1.121 123 S CA -1.111 57.077 58.200 -0.020 0.000 0.887 123 S CB 1.908 65.108 63.200 -0.001 0.000 1.094 123 S HN 0.417 nan 8.310 nan 0.000 0.474 124 K N 1.212 121.395 120.400 -0.360 0.000 2.126 124 K HA 0.406 4.726 4.320 -0.000 0.000 0.257 124 K C -0.307 175.531 176.600 -1.271 0.000 1.007 124 K CA -0.678 55.062 56.287 -0.911 0.000 0.928 124 K CB -0.001 32.044 32.500 -0.759 0.000 1.013 124 K HN 0.802 nan 8.250 nan 0.000 0.473 125 N N 0.874 118.129 118.700 -2.407 0.000 2.714 125 N HA -0.210 4.529 4.740 -0.000 0.000 0.253 125 N C -1.267 173.796 175.510 -0.745 0.000 1.024 125 N CA 0.485 52.709 53.050 -1.377 0.000 0.726 125 N CB -1.634 36.450 38.487 -0.671 0.000 0.908 125 N HN 0.575 nan 8.380 nan 0.000 0.542 126 F N -1.562 117.914 119.950 -0.789 0.000 2.797 126 F HA -0.175 4.351 4.527 -0.000 0.000 0.273 126 F C 1.471 176.672 175.800 -0.999 0.000 1.020 126 F CA 1.128 58.529 58.000 -0.999 0.000 0.961 126 F CB -1.755 36.814 39.000 -0.718 0.000 1.020 126 F HN 0.534 nan 8.300 nan 0.000 0.840 127 G N -0.921 107.618 108.800 -0.435 0.000 2.131 127 G HA2 0.132 4.092 3.960 -0.000 0.000 0.201 127 G HA3 0.132 4.092 3.960 -0.000 0.000 0.201 127 G C 0.706 175.555 174.900 -0.085 0.000 1.000 127 G CA -0.108 44.965 45.100 -0.044 0.000 0.680 127 G HN 1.330 nan 8.290 nan 0.000 0.514 128 G N -0.512 108.171 108.800 -0.194 0.000 3.182 128 G HA2 0.567 4.526 3.960 -0.000 0.000 0.167 128 G HA3 0.567 4.526 3.960 -0.000 0.000 0.167 128 G C 0.304 175.121 174.900 -0.139 0.000 1.537 128 G CA 0.398 45.393 45.100 -0.175 0.000 1.046 128 G HN 0.696 nan 8.290 nan 0.000 0.580 129 E N -0.117 119.981 120.200 -0.170 0.000 2.408 129 E HA 0.140 4.489 4.350 -0.000 0.000 0.259 129 E C -0.094 176.427 176.600 -0.132 0.000 1.110 129 E CA -0.310 56.009 56.400 -0.134 0.000 0.929 129 E CB 0.505 30.116 29.700 -0.148 0.000 0.971 129 E HN 0.257 nan 8.360 nan 0.000 0.438 130 Q N 1.518 121.263 119.800 -0.090 0.000 2.289 130 Q HA 0.264 4.604 4.340 -0.000 0.000 0.273 130 Q C -1.258 174.679 176.000 -0.105 0.000 1.029 130 Q CA 0.180 55.946 55.803 -0.062 0.000 0.896 130 Q CB 1.057 29.777 28.738 -0.029 0.000 1.182 130 Q HN 0.520 nan 8.270 nan 0.000 0.385 131 A N 3.287 126.075 122.820 -0.054 0.000 2.256 131 A HA 0.852 5.172 4.320 -0.000 0.000 0.318 131 A C -0.890 176.766 177.584 0.120 0.000 1.103 131 A CA -0.201 51.828 52.037 -0.013 0.000 0.860 131 A CB 1.136 20.221 19.000 0.142 0.000 1.182 131 A HN 0.931 nan 8.150 nan 0.000 0.501 132 A N 0.685 123.694 122.820 0.315 0.000 2.545 132 A HA 0.588 4.908 4.320 -0.000 0.000 0.300 132 A C 0.179 177.790 177.584 0.044 0.000 1.252 132 A CA -0.512 51.614 52.037 0.147 0.000 0.753 132 A CB 0.165 19.217 19.000 0.086 0.000 1.144 132 A HN 1.048 nan 8.150 nan 0.000 0.457 133 R N 0.610 121.090 120.500 -0.035 0.000 2.590 133 R HA 0.208 4.548 4.340 -0.000 0.000 0.410 133 R C -0.811 175.352 176.300 -0.227 0.000 1.010 133 R CA -0.089 55.914 56.100 -0.162 0.000 1.155 133 R CB 0.119 30.324 30.300 -0.157 0.000 1.455 133 R HN 0.306 nan 8.270 nan 0.000 0.567 134 T N 1.910 116.328 114.554 -0.227 0.000 2.782 134 T HA 0.452 4.802 4.350 -0.000 0.000 0.298 134 T C 0.167 174.700 174.700 -0.278 0.000 0.944 134 T CA -0.168 61.740 62.100 -0.320 0.000 1.001 134 T CB 1.016 69.554 68.868 -0.549 0.000 0.932 134 T HN 0.405 nan 8.240 nan 0.000 0.524 135 A N 3.265 125.933 122.820 -0.253 0.000 2.425 135 A HA 0.767 5.087 4.320 -0.000 0.000 0.249 135 A C 0.413 177.986 177.584 -0.018 0.000 1.084 135 A CA -0.483 51.411 52.037 -0.237 0.000 0.781 135 A CB 0.190 18.926 19.000 -0.441 0.000 1.019 135 A HN 1.025 nan 8.150 nan 0.000 0.490 136 A N 0.588 123.512 122.820 0.173 0.000 2.606 136 A HA 0.788 5.108 4.320 -0.000 0.000 0.293 136 A C -0.481 177.338 177.584 0.391 0.000 1.082 136 A CA 0.034 52.250 52.037 0.298 0.000 0.685 136 A CB 1.067 20.201 19.000 0.224 0.000 1.284 136 A HN 2.349 nan 8.150 nan 0.000 0.408 137 A N 0.998 123.967 122.820 0.249 0.000 2.328 137 A HA 0.804 5.123 4.320 -0.000 0.000 0.318 137 A C 0.853 178.491 177.584 0.090 0.000 1.347 137 A CA 0.739 52.864 52.037 0.147 0.000 0.842 137 A CB -0.517 18.511 19.000 0.047 0.000 1.148 137 A HN 2.840 nan 8.150 nan 0.000 0.499 138 A N 2.517 125.372 122.820 0.058 0.000 5.395 138 A HA -0.273 4.047 4.320 -0.000 0.000 0.332 138 A C 0.817 178.444 177.584 0.071 0.000 1.754 138 A CA 1.962 54.014 52.037 0.026 0.000 0.716 138 A CB -1.317 17.681 19.000 -0.003 0.000 1.411 138 A HN 1.662 nan 8.150 nan 0.000 0.398 139 D N -0.695 119.736 120.400 0.053 0.000 2.788 139 D HA 0.357 4.997 4.640 -0.000 0.000 0.289 139 D C 0.467 176.798 176.300 0.053 0.000 1.340 139 D CA -0.046 53.998 54.000 0.073 0.000 0.831 139 D CB -0.192 40.651 40.800 0.070 0.000 1.103 139 D HN 0.576 nan 8.370 nan 0.000 0.476 140 R N -0.278 120.251 120.500 0.048 0.000 2.662 140 R HA 0.211 4.551 4.340 -0.000 0.000 0.396 140 R C 0.690 177.044 176.300 0.089 0.000 1.096 140 R CA -0.120 56.007 56.100 0.045 0.000 1.081 140 R CB 0.461 30.756 30.300 -0.008 0.000 1.382 140 R HN -0.002 nan 8.270 nan 0.000 0.580 141 T N 0.094 114.695 114.554 0.078 0.000 2.720 141 T HA -0.138 4.212 4.350 -0.000 0.000 0.268 141 T C 1.985 176.715 174.700 0.050 0.000 1.037 141 T CA 1.891 64.029 62.100 0.063 0.000 1.144 141 T CB -0.123 68.794 68.868 0.081 0.000 0.864 141 T HN 0.545 nan 8.240 nan 0.000 0.444 142 G N 0.448 109.285 108.800 0.062 0.000 2.440 142 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.218 142 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.218 142 G C 1.235 176.184 174.900 0.080 0.000 1.154 142 G CA 1.393 46.522 45.100 0.048 0.000 0.767 142 G HN 0.641 nan 8.290 nan 0.000 0.552 143 H N 1.153 120.243 119.070 0.033 0.000 2.267 143 H HA 0.033 4.589 4.556 -0.000 0.000 0.297 143 H C 2.755 178.145 175.328 0.104 0.000 1.080 143 H CA 2.445 58.553 56.048 0.101 0.000 1.278 143 H CB -0.428 29.367 29.762 0.054 0.000 1.365 143 H HN 0.271 nan 8.280 nan 0.000 0.489 144 A N 0.625 123.505 122.820 0.100 0.000 1.903 144 A HA -0.212 4.108 4.320 -0.000 0.000 0.219 144 A C 2.499 180.026 177.584 -0.095 0.000 1.191 144 A CA 2.006 54.023 52.037 -0.033 0.000 0.638 144 A CB -1.174 17.788 19.000 -0.062 0.000 0.823 144 A HN 0.544 nan 8.150 nan 0.000 0.451 145 L N -1.206 119.969 121.223 -0.080 0.000 2.017 145 L HA -0.090 4.250 4.340 -0.000 0.000 0.208 145 L C 2.277 179.112 176.870 -0.058 0.000 1.073 145 L CA 2.094 56.885 54.840 -0.082 0.000 0.745 145 L CB -0.516 41.516 42.059 -0.045 0.000 0.894 145 L HN 0.322 nan 8.230 nan 0.000 0.432 146 L N -0.833 120.358 121.223 -0.054 0.000 2.027 146 L HA -0.207 4.133 4.340 -0.000 0.000 0.206 146 L C 2.621 179.418 176.870 -0.123 0.000 1.074 146 L CA 1.783 56.567 54.840 -0.093 0.000 0.745 146 L CB -0.925 41.060 42.059 -0.123 0.000 0.898 146 L HN 0.409 nan 8.230 nan 0.000 0.433 147 H N -1.494 117.482 119.070 -0.156 0.000 2.456 147 H HA -0.101 4.455 4.556 -0.000 0.000 0.296 147 H C 1.905 177.209 175.328 -0.040 0.000 1.079 147 H CA 1.764 57.745 56.048 -0.113 0.000 1.322 147 H CB -0.011 29.593 29.762 -0.263 0.000 1.388 147 H HN 0.392 nan 8.280 nan 0.000 0.538 148 T N 0.852 115.420 114.554 0.024 0.000 2.812 148 T HA -0.031 4.319 4.350 -0.000 0.000 0.264 148 T C 2.392 177.080 174.700 -0.020 0.000 1.042 148 T CA 0.441 62.534 62.100 -0.012 0.000 1.140 148 T CB -0.114 68.717 68.868 -0.061 0.000 0.870 148 T HN 0.173 nan 8.240 nan 0.000 0.445 149 L N -0.266 120.943 121.223 -0.023 0.000 2.156 149 L HA -0.019 4.321 4.340 -0.000 0.000 0.208 149 L C 2.320 179.178 176.870 -0.020 0.000 1.095 149 L CA 1.079 55.901 54.840 -0.030 0.000 0.770 149 L CB -0.519 41.522 42.059 -0.030 0.000 0.914 149 L HN 0.230 nan 8.230 nan 0.000 0.439 150 Y N 1.247 121.462 120.300 -0.143 0.000 2.097 150 Y HA -0.330 4.219 4.550 -0.000 0.000 0.282 150 Y C 2.670 178.504 175.900 -0.110 0.000 1.152 150 Y CA 1.748 59.750 58.100 -0.164 0.000 1.136 150 Y CB -0.425 37.899 38.460 -0.227 0.000 0.975 150 Y HN 0.178 nan 8.280 nan 0.000 0.498 151 Q N -0.670 119.063 119.800 -0.113 0.000 2.197 151 Q HA -0.258 4.082 4.340 -0.000 0.000 0.207 151 Q C 2.146 178.024 176.000 -0.203 0.000 0.984 151 Q CA 1.597 57.296 55.803 -0.172 0.000 0.869 151 Q CB -0.165 28.548 28.738 -0.043 0.000 0.906 151 Q HN 0.513 nan 8.270 nan 0.000 0.426 152 Q N 0.107 119.816 119.800 -0.151 0.000 2.123 152 Q HA -0.026 4.313 4.340 -0.000 0.000 0.199 152 Q C 1.605 177.499 176.000 -0.176 0.000 0.966 152 Q CA 0.818 56.541 55.803 -0.134 0.000 0.845 152 Q CB -0.121 28.567 28.738 -0.083 0.000 0.907 152 Q HN 0.447 nan 8.270 nan 0.000 0.439 153 N N 0.332 118.905 118.700 -0.211 0.000 2.331 153 N HA -0.039 4.701 4.740 -0.000 0.000 0.180 153 N C 1.880 177.196 175.510 -0.323 0.000 1.019 153 N CA 0.472 53.384 53.050 -0.229 0.000 0.881 153 N CB 0.153 38.527 38.487 -0.189 0.000 0.972 153 N HN 0.235 nan 8.380 nan 0.000 0.435 154 L N 1.196 122.147 121.223 -0.453 0.000 2.027 154 L HA -0.124 4.215 4.340 -0.000 0.000 0.206 154 L C 2.560 179.170 176.870 -0.434 0.000 1.074 154 L CA 1.060 55.629 54.840 -0.451 0.000 0.745 154 L CB -0.345 41.425 42.059 -0.481 0.000 0.898 154 L HN 0.096 nan 8.230 nan 0.000 0.433 155 K N 0.338 120.531 120.400 -0.345 0.000 2.103 155 K HA -0.249 4.071 4.320 -0.000 0.000 0.207 155 K C 1.728 178.079 176.600 -0.414 0.000 1.048 155 K CA 1.689 57.781 56.287 -0.326 0.000 0.930 155 K CB -0.106 32.282 32.500 -0.187 0.000 0.716 155 K HN 0.278 nan 8.250 nan 0.000 0.444 156 N N -0.308 118.211 118.700 -0.302 0.000 2.322 156 N HA -0.088 4.651 4.740 -0.000 0.000 0.194 156 N C -0.774 174.691 175.510 -0.076 0.000 1.126 156 N CA 0.148 53.102 53.050 -0.160 0.000 0.845 156 N CB 0.207 38.636 38.487 -0.097 0.000 0.976 156 N HN 0.276 nan 8.380 nan 0.000 0.475 157 H N -0.274 118.748 119.070 -0.081 0.000 2.770 157 H HA -0.118 4.438 4.556 -0.000 0.000 0.309 157 H C -0.513 174.775 175.328 -0.067 0.000 1.206 157 H CA 0.897 56.903 56.048 -0.071 0.000 1.147 157 H CB -2.323 27.410 29.762 -0.048 0.000 1.422 157 H HN 0.183 nan 8.280 nan 0.000 0.420 158 T N 1.323 115.861 114.554 -0.028 0.000 2.901 158 T HA 0.121 4.470 4.350 -0.000 0.000 0.301 158 T C 0.977 175.647 174.700 -0.051 0.000 1.012 158 T CA 0.011 62.087 62.100 -0.040 0.000 1.135 158 T CB 0.872 69.692 68.868 -0.080 0.000 0.936 158 T HN 0.216 nan 8.240 nan 0.000 0.539 159 T N 4.839 119.365 114.554 -0.047 0.000 2.750 159 T HA 0.257 4.607 4.350 -0.000 0.000 0.286 159 T C 0.347 174.931 174.700 -0.194 0.000 0.911 159 T CA 0.041 62.071 62.100 -0.118 0.000 1.130 159 T CB -0.559 68.292 68.868 -0.028 0.000 0.873 159 T HN 0.373 nan 8.240 nan 0.000 0.536 160 I N 3.734 124.162 120.570 -0.238 0.000 2.362 160 I HA 0.338 4.507 4.170 -0.000 0.000 0.289 160 I C -0.484 175.479 176.117 -0.256 0.000 0.994 160 I CA -0.787 60.415 61.300 -0.163 0.000 1.158 160 I CB 1.270 39.241 38.000 -0.049 0.000 1.315 160 I HN 0.527 nan 8.210 nan 0.000 0.451 161 F N 4.839 124.720 119.950 -0.115 0.000 2.425 161 F HA 0.201 4.728 4.527 -0.001 0.000 0.354 161 F C 1.095 176.981 175.800 0.143 0.000 1.162 161 F CA -0.285 57.653 58.000 -0.102 0.000 1.250 161 F CB 0.773 39.431 39.000 -0.571 0.000 1.579 161 F HN 0.383 nan 8.300 nan 0.000 0.589 162 S N 2.236 118.143 115.700 0.345 0.000 2.548 162 S HA 0.168 4.638 4.470 -0.000 0.000 0.277 162 S C 0.460 175.334 174.600 0.457 0.000 1.315 162 S CA -0.167 58.229 58.200 0.327 0.000 1.050 162 S CB 0.269 63.650 63.200 0.301 0.000 0.918 162 S HN 0.741 nan 8.310 nan 0.000 0.497 163 E N 1.604 122.010 120.200 0.343 0.000 2.340 163 E HA -0.178 4.171 4.350 -0.000 0.000 0.240 163 E C -1.681 175.024 176.600 0.175 0.000 1.154 163 E CA 0.648 57.193 56.400 0.241 0.000 0.717 163 E CB -1.302 28.530 29.700 0.220 0.000 1.250 163 E HN 0.625 nan 8.360 nan 0.000 0.386 164 W N 0.565 121.929 121.300 0.106 0.000 2.587 164 W HA 0.445 5.104 4.660 -0.001 0.000 0.324 164 W C -0.185 176.375 176.519 0.068 0.000 1.040 164 W CA -0.679 56.724 57.345 0.098 0.000 1.222 164 W CB 0.806 30.319 29.460 0.088 0.000 1.381 164 W HN 0.178 nan 8.180 nan 0.000 0.483 165 Y N 3.253 123.631 120.300 0.130 0.000 2.385 165 Y HA 0.624 5.173 4.550 -0.000 0.000 0.341 165 Y C 0.366 176.318 175.900 0.086 0.000 0.965 165 Y CA -1.110 57.022 58.100 0.053 0.000 1.180 165 Y CB 0.377 38.818 38.460 -0.033 0.000 1.139 165 Y HN 0.526 nan 8.280 nan 0.000 0.502 166 A N 7.039 129.668 122.820 -0.318 0.000 2.524 166 A HA 0.198 4.518 4.320 -0.000 0.000 0.250 166 A C 0.258 177.687 177.584 -0.257 0.000 1.078 166 A CA 0.040 51.942 52.037 -0.224 0.000 0.761 166 A CB 0.066 18.918 19.000 -0.246 0.000 1.012 166 A HN 1.084 nan 8.150 nan 0.000 0.500 167 L N 1.657 122.894 121.223 0.023 0.000 2.117 167 L HA 0.231 4.571 4.340 -0.000 0.000 0.200 167 L C 0.492 177.395 176.870 0.054 0.000 1.110 167 L CA 0.684 55.594 54.840 0.116 0.000 0.774 167 L CB -0.086 42.073 42.059 0.167 0.000 0.934 167 L HN 0.613 nan 8.230 nan 0.000 0.456 168 D N -1.325 119.104 120.400 0.049 0.000 2.602 168 D HA 0.408 5.048 4.640 -0.000 0.000 0.236 168 D C -1.090 175.225 176.300 0.026 0.000 1.209 168 D CA -0.513 53.506 54.000 0.031 0.000 0.831 168 D CB 2.646 43.469 40.800 0.038 0.000 1.478 168 D HN -0.122 nan 8.370 nan 0.000 0.438 169 L N 0.872 122.105 121.223 0.017 0.000 2.426 169 L HA 0.258 4.598 4.340 -0.000 0.000 0.271 169 L C 0.125 176.999 176.870 0.007 0.000 1.169 169 L CA -0.526 54.328 54.840 0.023 0.000 0.836 169 L CB 0.674 42.743 42.059 0.018 0.000 1.112 169 L HN 0.007 nan 8.230 nan 0.000 0.465 170 V N 3.661 123.581 119.914 0.010 0.000 2.383 170 V HA 0.256 4.376 4.120 -0.000 0.000 0.275 170 V C 0.231 176.320 176.094 -0.008 0.000 1.036 170 V CA -0.661 61.610 62.300 -0.048 0.000 0.889 170 V CB 1.095 32.814 31.823 -0.173 0.000 0.985 170 V HN 0.644 nan 8.190 nan 0.000 0.459 171 K N 3.997 124.383 120.400 -0.023 0.000 2.138 171 K HA 0.410 4.730 4.320 -0.000 0.000 0.263 171 K C -0.006 176.589 176.600 -0.010 0.000 0.965 171 K CA -0.692 55.591 56.287 -0.007 0.000 0.868 171 K CB 1.479 33.971 32.500 -0.013 0.000 1.083 171 K HN 0.834 nan 8.250 nan 0.000 0.443 172 N N 0.947 119.652 118.700 0.008 0.000 2.374 172 N HA -0.087 4.653 4.740 -0.000 0.000 0.284 172 N C 0.572 176.082 175.510 -0.000 0.000 1.280 172 N CA -0.115 52.941 53.050 0.009 0.000 0.963 172 N CB 0.233 38.735 38.487 0.026 0.000 1.141 172 N HN 0.615 nan 8.380 nan 0.000 0.565 173 Q N -1.962 117.839 119.800 0.001 0.000 2.482 173 Q HA 0.031 4.371 4.340 -0.000 0.000 0.209 173 Q C -0.553 175.444 176.000 -0.004 0.000 0.961 173 Q CA 0.929 56.730 55.803 -0.004 0.000 0.945 173 Q CB -0.119 28.617 28.738 -0.003 0.000 1.012 173 Q HN 0.474 nan 8.270 nan 0.000 0.515 174 D N 0.306 120.705 120.400 -0.002 0.000 2.369 174 D HA 0.126 4.765 4.640 -0.000 0.000 0.211 174 D C 0.694 176.988 176.300 -0.010 0.000 1.077 174 D CA 0.737 54.734 54.000 -0.005 0.000 0.842 174 D CB 0.888 41.688 40.800 -0.001 0.000 0.947 174 D HN 0.502 nan 8.370 nan 0.000 0.509 175 G N 1.013 109.807 108.800 -0.011 0.000 2.136 175 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.242 175 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.242 175 G C 0.417 175.308 174.900 -0.015 0.000 0.989 175 G CA 0.191 45.281 45.100 -0.016 0.000 0.682 175 G HN 0.568 nan 8.290 nan 0.000 0.522 176 A N -0.533 122.284 122.820 -0.005 0.000 2.303 176 A HA 0.801 5.120 4.320 -0.000 0.000 0.317 176 A C 0.363 177.956 177.584 0.015 0.000 1.149 176 A CA -0.217 51.820 52.037 0.000 0.000 0.822 176 A CB 1.593 20.598 19.000 0.009 0.000 1.131 176 A HN 1.097 nan 8.150 nan 0.000 0.493 177 V N 2.606 122.532 119.914 0.020 0.000 2.432 177 V HA 0.282 4.402 4.120 -0.000 0.000 0.271 177 V C 0.516 176.660 176.094 0.082 0.000 1.046 177 V CA 0.164 62.490 62.300 0.043 0.000 0.945 177 V CB 1.085 32.930 31.823 0.036 0.000 0.992 177 V HN 0.911 nan 8.190 nan 0.000 0.471 178 V N 2.568 122.548 119.914 0.110 0.000 2.759 178 V HA 0.889 5.009 4.120 -0.000 0.000 0.342 178 V C 0.572 176.819 176.094 0.255 0.000 1.228 178 V CA 0.280 62.676 62.300 0.161 0.000 1.302 178 V CB -0.604 31.315 31.823 0.159 0.000 1.496 178 V HN 1.285 nan 8.190 nan 0.000 0.628 179 G N -0.145 108.786 108.800 0.219 0.000 2.428 179 G HA2 0.154 4.114 3.960 -0.000 0.000 0.202 179 G HA3 0.154 4.114 3.960 -0.000 0.000 0.202 179 G C -0.381 174.673 174.900 0.257 0.000 1.247 179 G CA 0.161 45.424 45.100 0.271 0.000 1.020 179 G HN 2.143 nan 8.290 nan 0.000 0.529 180 C N -2.089 117.408 119.300 0.327 0.000 3.284 180 C HA 0.915 5.375 4.460 -0.000 0.000 0.338 180 C C 0.258 175.430 174.990 0.304 0.000 1.237 180 C CA 0.357 59.502 59.018 0.211 0.000 1.276 180 C CB 1.128 28.928 27.740 0.100 0.000 1.601 180 C HN 2.297 nan 8.230 nan 0.000 0.494 181 T N 0.360 115.029 114.554 0.191 0.000 2.909 181 T HA 0.791 5.141 4.350 -0.000 0.000 0.289 181 T C -0.084 174.766 174.700 0.251 0.000 1.005 181 T CA 0.320 62.557 62.100 0.230 0.000 1.084 181 T CB 1.399 70.339 68.868 0.120 0.000 0.975 181 T HN 2.425 nan 8.240 nan 0.000 0.509 182 A N 2.176 125.209 122.820 0.355 0.000 2.520 182 A HA 0.673 4.993 4.320 -0.000 0.000 0.298 182 A C -1.151 176.700 177.584 0.445 0.000 1.051 182 A CA -1.000 51.272 52.037 0.391 0.000 0.690 182 A CB 1.594 20.868 19.000 0.458 0.000 1.281 182 A HN 1.096 nan 8.150 nan 0.000 0.402 183 L N 2.403 123.823 121.223 0.329 0.000 2.272 183 L HA 0.625 4.965 4.340 -0.000 0.000 0.289 183 L C -0.080 176.750 176.870 -0.067 0.000 1.032 183 L CA -0.378 54.547 54.840 0.142 0.000 0.810 183 L CB 1.039 43.148 42.059 0.082 0.000 1.205 183 L HN 0.828 nan 8.230 nan 0.000 0.422 184 C N 6.575 125.560 119.300 -0.526 0.000 2.619 184 C HA 0.236 4.696 4.460 -0.000 0.000 0.389 184 C C 1.855 176.498 174.990 -0.578 0.000 1.314 184 C CA -0.404 57.912 59.018 -1.171 0.000 1.678 184 C CB -1.626 25.128 27.740 -1.643 0.000 2.398 184 C HN 0.994 nan 8.230 nan 0.000 0.582 185 I N 3.537 123.819 120.570 -0.479 0.000 2.226 185 I HA -0.163 4.007 4.170 -0.000 0.000 0.245 185 I C 2.501 178.384 176.117 -0.390 0.000 1.100 185 I CA 1.784 62.802 61.300 -0.469 0.000 1.374 185 I CB -0.444 37.192 38.000 -0.607 0.000 1.057 185 I HN 0.825 nan 8.210 nan 0.000 0.413 186 E N 0.777 120.875 120.200 -0.170 0.000 2.038 186 E HA -0.275 4.075 4.350 -0.000 0.000 0.195 186 E C 2.072 178.695 176.600 0.038 0.000 1.000 186 E CA 2.431 58.916 56.400 0.141 0.000 0.803 186 E CB 0.034 29.830 29.700 0.159 0.000 0.750 186 E HN 0.588 nan 8.360 nan 0.000 0.448 187 T N -4.472 110.035 114.554 -0.077 0.000 3.015 187 T HA 0.327 4.677 4.350 -0.000 0.000 0.250 187 T C 1.473 176.132 174.700 -0.068 0.000 1.057 187 T CA 0.684 62.755 62.100 -0.047 0.000 1.066 187 T CB 0.838 69.684 68.868 -0.036 0.000 0.959 187 T HN 0.396 nan 8.240 nan 0.000 0.488 188 G N 1.290 110.011 108.800 -0.133 0.000 2.195 188 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.246 188 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.246 188 G C -0.127 174.722 174.900 -0.086 0.000 0.984 188 G CA 0.167 45.202 45.100 -0.108 0.000 0.633 188 G HN 0.814 nan 8.290 nan 0.000 0.525 189 E N 0.297 120.438 120.200 -0.097 0.000 2.442 189 E HA 0.369 4.719 4.350 -0.000 0.000 0.262 189 E C -0.021 176.582 176.600 0.004 0.000 1.004 189 E CA 0.035 56.419 56.400 -0.026 0.000 0.928 189 E CB 0.613 30.329 29.700 0.027 0.000 0.937 189 E HN 0.190 nan 8.360 nan 0.000 0.446 190 V N 5.004 124.968 119.914 0.083 0.000 2.495 190 V HA 0.418 4.538 4.120 -0.000 0.000 0.298 190 V C -0.279 175.926 176.094 0.184 0.000 1.031 190 V CA -0.661 61.728 62.300 0.149 0.000 0.871 190 V CB 1.761 33.648 31.823 0.107 0.000 0.988 190 V HN 0.468 nan 8.190 nan 0.000 0.432 191 V N 3.786 123.855 119.914 0.259 0.000 3.007 191 V HA 0.443 4.563 4.120 -0.000 0.000 0.311 191 V C -1.451 174.738 176.094 0.159 0.000 1.120 191 V CA -0.874 61.510 62.300 0.140 0.000 0.980 191 V CB 2.536 34.373 31.823 0.024 0.000 1.033 191 V HN 0.744 nan 8.190 nan 0.000 0.429 192 Y N 3.270 123.521 120.300 -0.081 0.000 2.385 192 Y HA 0.561 5.111 4.550 -0.001 0.000 0.341 192 Y C -0.826 174.988 175.900 -0.144 0.000 0.965 192 Y CA -2.052 56.027 58.100 -0.035 0.000 1.180 192 Y CB 0.704 39.155 38.460 -0.015 0.000 1.139 192 Y HN 0.467 nan 8.280 nan 0.000 0.502 193 F N 6.487 126.483 119.950 0.076 0.000 2.423 193 F HA 0.282 4.809 4.527 0.000 0.000 0.356 193 F C 0.639 176.308 175.800 -0.218 0.000 1.170 193 F CA -0.330 57.592 58.000 -0.131 0.000 1.163 193 F CB 0.454 39.364 39.000 -0.149 0.000 1.318 193 F HN 0.361 nan 8.300 nan 0.000 0.569 194 K N 3.087 123.227 120.400 -0.433 0.000 2.249 194 K HA 0.743 5.063 4.320 -0.000 0.000 0.280 194 K C -0.689 175.886 176.600 -0.042 0.000 1.033 194 K CA -0.223 55.799 56.287 -0.441 0.000 0.946 194 K CB 0.747 32.862 32.500 -0.642 0.000 1.005 194 K HN 0.693 nan 8.250 nan 0.000 0.469 195 A N 3.709 126.557 122.820 0.048 0.000 2.609 195 A HA 0.390 4.710 4.320 -0.000 0.000 0.291 195 A C -0.414 177.223 177.584 0.088 0.000 1.096 195 A CA -0.850 51.238 52.037 0.085 0.000 0.684 195 A CB 1.436 20.500 19.000 0.106 0.000 1.282 195 A HN 0.874 nan 8.150 nan 0.000 0.412 196 R N -0.131 120.418 120.500 0.081 0.000 2.254 196 R HA 0.457 4.797 4.340 -0.000 0.000 0.195 196 R C 0.405 176.792 176.300 0.145 0.000 0.957 196 R CA 1.203 57.360 56.100 0.095 0.000 1.024 196 R CB 0.612 30.955 30.300 0.070 0.000 0.952 196 R HN 0.832 nan 8.270 nan 0.000 0.484 197 A N 0.540 123.428 122.820 0.113 0.000 2.411 197 A HA 0.463 4.783 4.320 -0.000 0.000 0.285 197 A C -0.919 176.721 177.584 0.094 0.000 1.129 197 A CA -0.596 51.520 52.037 0.131 0.000 0.736 197 A CB 1.268 20.146 19.000 -0.204 0.000 1.186 197 A HN 0.005 nan 8.150 nan 0.000 0.445 198 T N 2.278 116.960 114.554 0.212 0.000 2.756 198 T HA 0.480 4.829 4.350 -0.000 0.000 0.290 198 T C -0.343 174.458 174.700 0.169 0.000 0.985 198 T CA -0.263 61.913 62.100 0.126 0.000 0.955 198 T CB 0.984 69.919 68.868 0.112 0.000 0.930 198 T HN 0.418 nan 8.240 nan 0.000 0.451 199 V N 5.456 125.402 119.914 0.053 0.000 2.347 199 V HA 0.356 4.475 4.120 -0.000 0.000 0.280 199 V C 0.065 176.170 176.094 0.018 0.000 1.021 199 V CA -0.798 61.540 62.300 0.063 0.000 0.847 199 V CB 1.159 32.958 31.823 -0.040 0.000 0.990 199 V HN 0.776 nan 8.190 nan 0.000 0.444 200 L N 4.694 125.940 121.223 0.037 0.000 2.281 200 L HA 0.637 4.977 4.340 -0.000 0.000 0.285 200 L C 0.566 177.430 176.870 -0.009 0.000 1.074 200 L CA -0.025 54.812 54.840 -0.005 0.000 0.817 200 L CB 1.236 43.291 42.059 -0.006 0.000 1.168 200 L HN 0.767 nan 8.230 nan 0.000 0.434 201 A N 1.519 124.321 122.820 -0.030 0.000 3.355 201 A HA 0.326 4.646 4.320 -0.000 0.000 0.290 201 A C 0.515 178.078 177.584 -0.034 0.000 0.973 201 A CA -0.279 51.744 52.037 -0.022 0.000 0.933 201 A CB -0.003 18.987 19.000 -0.016 0.000 1.138 201 A HN 0.687 nan 8.150 nan 0.000 0.490 202 T N -2.346 112.183 114.554 -0.042 0.000 3.214 202 T HA 0.488 4.838 4.350 -0.000 0.000 0.264 202 T C 1.145 175.821 174.700 -0.041 0.000 1.012 202 T CA 0.767 62.837 62.100 -0.049 0.000 0.901 202 T CB -0.323 68.506 68.868 -0.066 0.000 1.070 202 T HN 2.007 nan 8.240 nan 0.000 0.561 203 G N 0.870 109.648 108.800 -0.038 0.000 2.591 203 G HA2 0.072 4.032 3.960 -0.000 0.000 0.278 203 G HA3 0.072 4.032 3.960 -0.000 0.000 0.278 203 G C 0.376 175.219 174.900 -0.096 0.000 1.293 203 G CA -0.369 44.701 45.100 -0.050 0.000 0.930 203 G HN 1.028 nan 8.290 nan 0.000 0.562 204 G N -2.076 106.653 108.800 -0.118 0.000 2.510 204 G HA2 0.710 4.670 3.960 -0.000 0.000 0.280 204 G HA3 0.710 4.670 3.960 -0.000 0.000 0.280 204 G C 0.467 175.343 174.900 -0.039 0.000 1.386 204 G CA 0.709 45.717 45.100 -0.153 0.000 1.047 204 G HN 2.100 nan 8.290 nan 0.000 0.527 205 A N -1.239 121.635 122.820 0.090 0.000 2.709 205 A HA 0.546 4.866 4.320 -0.000 0.000 0.241 205 A C 1.550 179.273 177.584 0.231 0.000 0.879 205 A CA 0.843 52.994 52.037 0.189 0.000 1.120 205 A CB 0.063 19.227 19.000 0.272 0.000 1.226 205 A HN 1.236 nan 8.150 nan 0.000 0.468 206 G N 0.417 109.302 108.800 0.141 0.000 2.499 206 G HA2 -0.218 3.741 3.960 -0.000 0.000 0.221 206 G HA3 -0.218 3.741 3.960 -0.000 0.000 0.221 206 G C 1.267 176.176 174.900 0.014 0.000 1.109 206 G CA 0.540 45.680 45.100 0.068 0.000 0.749 206 G HN 0.391 nan 8.290 nan 0.000 0.568 207 R N 0.530 121.022 120.500 -0.013 0.000 2.328 207 R HA 0.081 4.421 4.340 -0.000 0.000 0.200 207 R C 2.212 178.484 176.300 -0.047 0.000 0.983 207 R CA 0.230 56.316 56.100 -0.025 0.000 1.062 207 R CB -0.571 29.716 30.300 -0.022 0.000 0.956 207 R HN 0.766 nan 8.270 nan 0.000 0.479 208 I N -3.653 116.853 120.570 -0.106 0.000 3.251 208 I HA 0.020 4.190 4.170 -0.000 0.000 0.277 208 I C 0.201 176.068 176.117 -0.417 0.000 1.268 208 I CA 0.337 61.480 61.300 -0.262 0.000 1.449 208 I CB -0.173 37.606 38.000 -0.369 0.000 1.083 208 I HN -0.214 nan 8.210 nan 0.000 0.464 209 Y N 0.936 121.122 120.300 -0.190 0.000 2.458 209 Y HA 0.302 4.852 4.550 -0.000 0.000 0.322 209 Y C 1.609 177.482 175.900 -0.044 0.000 1.259 209 Y CA -0.347 57.690 58.100 -0.106 0.000 1.302 209 Y CB 0.779 39.175 38.460 -0.107 0.000 1.314 209 Y HN -0.154 nan 8.280 nan 0.000 0.509 210 Q N 0.074 119.980 119.800 0.177 0.000 2.123 210 Q HA -0.000 4.339 4.340 -0.000 0.000 0.196 210 Q C 0.059 176.122 176.000 0.104 0.000 0.958 210 Q CA 0.681 56.550 55.803 0.110 0.000 0.841 210 Q CB 0.325 29.133 28.738 0.117 0.000 0.915 210 Q HN 0.495 nan 8.270 nan 0.000 0.455 211 S N -0.270 115.513 115.700 0.138 0.000 2.478 211 S HA 0.495 4.964 4.470 -0.000 0.000 0.312 211 S C -0.988 173.654 174.600 0.071 0.000 1.094 211 S CA -0.449 57.807 58.200 0.092 0.000 1.081 211 S CB 1.614 64.878 63.200 0.107 0.000 1.007 211 S HN 0.213 nan 8.310 nan 0.000 0.475 212 T N 1.546 116.108 114.554 0.013 0.000 2.932 212 T HA 0.411 4.761 4.350 -0.000 0.000 0.318 212 T C 1.097 175.780 174.700 -0.028 0.000 1.265 212 T CA 0.033 62.122 62.100 -0.019 0.000 1.036 212 T CB 1.275 70.122 68.868 -0.036 0.000 1.209 212 T HN 0.707 nan 8.240 nan 0.000 0.484 213 T N 0.870 115.436 114.554 0.021 0.000 3.072 213 T HA 0.137 4.487 4.350 -0.000 0.000 0.266 213 T C 0.677 175.401 174.700 0.040 0.000 1.127 213 T CA 0.300 62.433 62.100 0.055 0.000 1.107 213 T CB -0.634 68.357 68.868 0.206 0.000 0.910 213 T HN 0.609 nan 8.240 nan 0.000 0.513 214 N N 1.585 120.236 118.700 -0.082 0.000 2.525 214 N HA 0.479 5.219 4.740 -0.000 0.000 0.271 214 N C 0.177 175.499 175.510 -0.315 0.000 1.194 214 N CA -0.488 52.355 53.050 -0.344 0.000 0.964 214 N CB 0.751 39.028 38.487 -0.351 0.000 1.126 214 N HN 0.416 nan 8.380 nan 0.000 0.452 215 A N 1.389 123.959 122.820 -0.417 0.000 2.492 215 A HA -0.074 4.246 4.320 -0.000 0.000 0.236 215 A C 1.032 178.522 177.584 -0.156 0.000 1.078 215 A CA 0.046 51.997 52.037 -0.143 0.000 0.773 215 A CB 0.063 19.100 19.000 0.062 0.000 1.023 215 A HN 0.797 nan 8.150 nan 0.000 0.504 216 H N 0.954 120.013 119.070 -0.018 0.000 2.518 216 H HA -0.136 4.419 4.556 -0.000 0.000 0.289 216 H C 1.660 176.980 175.328 -0.013 0.000 1.051 216 H CA 2.067 58.108 56.048 -0.012 0.000 1.280 216 H CB -0.111 29.656 29.762 0.009 0.000 1.380 216 H HN 0.743 nan 8.280 nan 0.000 0.566 217 I N -1.592 119.035 120.570 0.095 0.000 3.684 217 I HA 0.039 4.209 4.170 -0.000 0.000 0.304 217 I C -0.178 175.953 176.117 0.024 0.000 1.278 217 I CA 0.159 61.502 61.300 0.071 0.000 1.272 217 I CB -0.075 37.975 38.000 0.085 0.000 1.029 217 I HN -0.183 nan 8.210 nan 0.000 0.458 218 N N 2.684 121.360 118.700 -0.039 0.000 3.050 218 N HA 0.085 4.825 4.740 -0.000 0.000 0.289 218 N C 0.628 176.131 175.510 -0.013 0.000 1.209 218 N CA 0.358 53.371 53.050 -0.063 0.000 1.154 218 N CB 0.269 38.654 38.487 -0.171 0.000 1.444 218 N HN 0.401 nan 8.380 nan 0.000 0.529 219 T N -2.921 111.645 114.554 0.019 0.000 3.214 219 T HA 0.276 4.625 4.350 -0.000 0.000 0.264 219 T C 1.130 175.857 174.700 0.044 0.000 1.012 219 T CA -0.301 61.821 62.100 0.036 0.000 0.901 219 T CB -0.187 68.713 68.868 0.053 0.000 1.070 219 T HN 0.354 nan 8.240 nan 0.000 0.561 220 G N 1.941 110.765 108.800 0.039 0.000 2.305 220 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.287 220 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.287 220 G C 0.484 175.400 174.900 0.027 0.000 1.036 220 G CA 0.318 45.442 45.100 0.041 0.000 0.887 220 G HN 0.496 nan 8.290 nan 0.000 0.505 221 D N 0.027 120.434 120.400 0.011 0.000 2.144 221 D HA -0.069 4.571 4.640 -0.000 0.000 0.199 221 D C 2.476 178.758 176.300 -0.030 0.000 0.984 221 D CA 1.746 55.740 54.000 -0.010 0.000 0.834 221 D CB -0.613 40.147 40.800 -0.066 0.000 0.955 221 D HN 0.546 nan 8.370 nan 0.000 0.465 222 G N 0.288 109.066 108.800 -0.036 0.000 2.421 222 G HA2 -0.134 3.825 3.960 -0.000 0.000 0.217 222 G HA3 -0.134 3.825 3.960 -0.000 0.000 0.217 222 G C 1.825 176.717 174.900 -0.013 0.000 1.143 222 G CA 0.541 45.620 45.100 -0.034 0.000 0.784 222 G HN 0.227 nan 8.290 nan 0.000 0.541 223 V N 1.573 121.487 119.914 -0.000 0.000 2.307 223 V HA -0.039 4.081 4.120 -0.000 0.000 0.245 223 V C 3.139 179.255 176.094 0.038 0.000 1.045 223 V CA 1.961 64.273 62.300 0.020 0.000 1.024 223 V CB -1.146 30.695 31.823 0.030 0.000 0.651 223 V HN 0.394 nan 8.190 nan 0.000 0.449 224 G N -0.404 108.419 108.800 0.039 0.000 2.480 224 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.216 224 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.216 224 G C 1.648 176.572 174.900 0.039 0.000 1.200 224 G CA 1.366 46.495 45.100 0.049 0.000 0.782 224 G HN 0.397 nan 8.290 nan 0.000 0.554 225 M N 0.760 120.372 119.600 0.021 0.000 2.106 225 M HA -0.129 4.351 4.480 -0.000 0.000 0.259 225 M C 3.038 179.345 176.300 0.011 0.000 1.068 225 M CA 1.659 56.965 55.300 0.011 0.000 1.100 225 M CB -0.313 32.278 32.600 -0.014 0.000 1.351 225 M HN 0.355 nan 8.290 nan 0.000 0.404 226 A N 0.333 123.159 122.820 0.010 0.000 1.873 226 A HA -0.120 4.200 4.320 -0.000 0.000 0.215 226 A C 2.045 179.639 177.584 0.017 0.000 1.186 226 A CA 1.397 53.438 52.037 0.007 0.000 0.616 226 A CB -0.838 18.163 19.000 0.002 0.000 0.823 226 A HN 0.439 nan 8.150 nan 0.000 0.442 227 I N -0.738 119.859 120.570 0.044 0.000 2.208 227 I HA -0.280 3.890 4.170 -0.000 0.000 0.245 227 I C 2.718 178.855 176.117 0.033 0.000 1.097 227 I CA 1.372 62.712 61.300 0.067 0.000 1.363 227 I CB -0.234 37.850 38.000 0.140 0.000 1.051 227 I HN 0.281 nan 8.210 nan 0.000 0.413 228 R N 0.349 120.866 120.500 0.028 0.000 2.189 228 R HA -0.036 4.303 4.340 -0.000 0.000 0.223 228 R C 1.964 178.264 176.300 0.000 0.000 1.092 228 R CA 1.140 57.248 56.100 0.014 0.000 0.989 228 R CB -0.226 30.088 30.300 0.022 0.000 0.876 228 R HN 0.325 nan 8.270 nan 0.000 0.457 229 A N 0.029 122.848 122.820 -0.002 0.000 2.251 229 A HA 0.244 4.564 4.320 -0.000 0.000 0.209 229 A C 1.217 178.788 177.584 -0.022 0.000 1.187 229 A CA 0.583 52.613 52.037 -0.011 0.000 0.823 229 A CB 0.063 19.058 19.000 -0.009 0.000 0.846 229 A HN 0.391 nan 8.150 nan 0.000 0.486 230 G N -1.121 107.664 108.800 -0.025 0.000 2.160 230 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.244 230 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.244 230 G C 0.038 174.908 174.900 -0.051 0.000 1.022 230 G CA 0.227 45.300 45.100 -0.045 0.000 0.741 230 G HN 0.754 nan 8.290 nan 0.000 0.508 231 V N 2.593 122.485 119.914 -0.036 0.000 2.407 231 V HA 0.476 4.596 4.120 -0.000 0.000 0.278 231 V C -1.185 174.890 176.094 -0.031 0.000 1.037 231 V CA -1.519 60.757 62.300 -0.040 0.000 0.900 231 V CB 1.699 33.501 31.823 -0.035 0.000 0.983 231 V HN 0.242 nan 8.190 nan 0.000 0.459 232 P HA 0.191 nan 4.420 nan 0.000 0.271 232 P C -0.545 176.764 177.300 0.014 0.000 1.218 232 P CA 0.131 63.214 63.100 -0.028 0.000 0.780 232 P CB 1.164 32.834 31.700 -0.050 0.000 0.901 233 V N -0.221 119.742 119.914 0.083 0.000 2.975 233 V HA 0.667 4.787 4.120 -0.000 0.000 0.318 233 V C -0.284 175.845 176.094 0.058 0.000 1.077 233 V CA -0.873 61.465 62.300 0.063 0.000 1.000 233 V CB 1.285 33.159 31.823 0.084 0.000 1.066 233 V HN 0.655 nan 8.190 nan 0.000 0.452 234 Q N -0.052 119.755 119.800 0.011 0.000 2.359 234 Q HA 0.396 4.736 4.340 -0.000 0.000 0.274 234 Q C -1.051 174.954 176.000 0.008 0.000 1.074 234 Q CA -0.375 55.435 55.803 0.012 0.000 0.810 234 Q CB 1.877 30.584 28.738 -0.052 0.000 1.342 234 Q HN 0.929 nan 8.270 nan 0.000 0.427 235 D N 3.029 123.465 120.400 0.061 0.000 2.837 235 D HA -0.183 4.457 4.640 -0.000 0.000 0.230 235 D C 0.630 176.917 176.300 -0.023 0.000 1.152 235 D CA 0.851 54.884 54.000 0.056 0.000 0.736 235 D CB -0.310 40.545 40.800 0.091 0.000 1.084 235 D HN 0.665 nan 8.370 nan 0.000 0.429 236 M N -0.226 119.362 119.600 -0.020 0.000 2.539 236 M HA -0.120 4.360 4.480 -0.000 0.000 0.261 236 M C 2.116 178.447 176.300 0.052 0.000 1.069 236 M CA 1.224 56.503 55.300 -0.035 0.000 1.081 236 M CB -0.452 32.144 32.600 -0.008 0.000 1.412 236 M HN 0.329 nan 8.290 nan 0.000 0.482 237 E N -0.282 119.937 120.200 0.031 0.000 2.285 237 E HA -0.078 4.272 4.350 -0.000 0.000 0.194 237 E C 0.340 177.049 176.600 0.182 0.000 0.997 237 E CA 0.414 56.869 56.400 0.092 0.000 0.845 237 E CB -0.172 29.415 29.700 -0.189 0.000 0.782 237 E HN 0.302 nan 8.360 nan 0.000 0.491 238 M N 1.233 120.855 119.600 0.036 0.000 2.341 238 M HA 0.150 4.630 4.480 -0.000 0.000 0.336 238 M C -1.229 175.035 176.300 -0.060 0.000 1.489 238 M CA 0.434 55.768 55.300 0.057 0.000 1.278 238 M CB -1.054 31.563 32.600 0.028 0.000 1.657 238 M HN 0.087 nan 8.290 nan 0.000 0.455 239 W N 2.326 123.706 121.300 0.134 0.000 2.554 239 W HA 0.385 5.045 4.660 -0.000 0.000 0.324 239 W C 0.180 176.714 176.519 0.026 0.000 1.018 239 W CA -0.588 56.783 57.345 0.044 0.000 1.243 239 W CB 1.191 30.673 29.460 0.035 0.000 1.345 239 W HN 0.518 nan 8.180 nan 0.000 0.441 240 Q N 3.221 123.123 119.800 0.170 0.000 2.281 240 Q HA 0.251 4.591 4.340 -0.000 0.000 0.267 240 Q C -1.191 174.822 176.000 0.022 0.000 1.053 240 Q CA 0.203 56.105 55.803 0.164 0.000 0.905 240 Q CB 0.386 29.238 28.738 0.191 0.000 1.195 240 Q HN 0.397 nan 8.270 nan 0.000 0.398 241 F N 3.901 123.908 119.950 0.096 0.000 2.334 241 F HA 0.170 4.697 4.527 -0.000 0.000 0.367 241 F C 0.483 176.301 175.800 0.031 0.000 1.115 241 F CA -0.770 57.261 58.000 0.052 0.000 1.116 241 F CB 0.722 39.701 39.000 -0.035 0.000 1.230 241 F HN 0.585 nan 8.300 nan 0.000 0.484 242 H N 6.071 125.163 119.070 0.037 0.000 2.975 242 H HA 0.057 4.613 4.556 -0.000 0.000 0.303 242 H C -1.747 173.545 175.328 -0.060 0.000 1.023 242 H CA -1.527 54.446 56.048 -0.127 0.000 1.473 242 H CB 1.437 30.926 29.762 -0.455 0.000 1.498 242 H HN 0.357 nan 8.280 nan 0.000 0.549 243 P HA -0.152 nan 4.420 nan 0.000 0.217 243 P C 0.403 177.768 177.300 0.108 0.000 1.162 243 P CA 2.206 65.283 63.100 -0.038 0.000 0.901 243 P CB 0.031 31.626 31.700 -0.174 0.000 0.793 244 T N -2.868 111.842 114.554 0.259 0.000 3.400 244 T HA 0.603 4.953 4.350 -0.000 0.000 0.362 244 T C 0.462 175.196 174.700 0.057 0.000 1.823 244 T CA -0.844 61.343 62.100 0.145 0.000 1.374 244 T CB -0.058 68.858 68.868 0.080 0.000 1.130 244 T HN 0.032 nan 8.240 nan 0.000 0.744 245 G N 1.946 110.771 108.800 0.042 0.000 2.420 245 G HA2 0.586 4.546 3.960 -0.000 0.000 0.284 245 G HA3 0.586 4.546 3.960 -0.000 0.000 0.284 245 G C -0.052 174.838 174.900 -0.017 0.000 1.177 245 G CA -1.074 44.011 45.100 -0.025 0.000 0.841 245 G HN 0.768 nan 8.290 nan 0.000 0.527 246 I N 1.557 122.103 120.570 -0.039 0.000 2.618 246 I HA 0.146 4.316 4.170 -0.000 0.000 0.284 246 I C 1.266 177.380 176.117 -0.004 0.000 1.146 246 I CA -0.083 61.194 61.300 -0.040 0.000 1.425 246 I CB 1.008 38.998 38.000 -0.015 0.000 1.383 246 I HN 0.514 nan 8.210 nan 0.000 0.562 247 A N 5.317 128.117 122.820 -0.033 0.000 2.522 247 A HA 0.420 4.740 4.320 -0.000 0.000 0.256 247 A C 1.259 178.937 177.584 0.157 0.000 1.086 247 A CA 0.459 52.527 52.037 0.051 0.000 0.763 247 A CB -0.404 18.594 19.000 -0.003 0.000 1.024 247 A HN 1.238 nan 8.150 nan 0.000 0.502 248 G N 0.729 109.621 108.800 0.153 0.000 2.159 248 G HA2 0.040 4.000 3.960 -0.000 0.000 0.256 248 G HA3 0.040 4.000 3.960 -0.000 0.000 0.256 248 G C 0.723 175.706 174.900 0.138 0.000 0.977 248 G CA 1.076 46.273 45.100 0.162 0.000 0.652 248 G HN 2.036 nan 8.290 nan 0.000 0.531 249 A N -2.075 120.803 122.820 0.097 0.000 1.878 249 A HA 0.687 5.007 4.320 -0.000 0.000 0.201 249 A C 2.571 180.124 177.584 -0.052 0.000 1.684 249 A CA 1.879 53.939 52.037 0.038 0.000 1.113 249 A CB -0.223 18.810 19.000 0.055 0.000 1.131 249 A HN 2.263 nan 8.150 nan 0.000 0.472 250 G N -1.043 107.732 108.800 -0.040 0.000 2.241 250 G HA2 -0.185 3.774 3.960 -0.000 0.000 0.244 250 G HA3 -0.185 3.774 3.960 -0.000 0.000 0.244 250 G C 0.299 175.137 174.900 -0.102 0.000 0.998 250 G CA 0.139 45.209 45.100 -0.051 0.000 0.621 250 G HN 1.058 nan 8.290 nan 0.000 0.519 251 V N 2.463 122.262 119.914 -0.192 0.000 2.485 251 V HA 0.395 4.515 4.120 -0.000 0.000 0.287 251 V C 1.099 177.119 176.094 -0.124 0.000 1.022 251 V CA 0.250 62.416 62.300 -0.222 0.000 1.067 251 V CB 1.145 32.694 31.823 -0.457 0.000 0.967 251 V HN 0.622 nan 8.190 nan 0.000 0.479 252 L N 8.410 129.570 121.223 -0.106 0.000 2.455 252 L HA 0.376 4.715 4.340 -0.000 0.000 0.272 252 L C 0.123 176.918 176.870 -0.124 0.000 1.174 252 L CA 0.403 55.146 54.840 -0.162 0.000 0.869 252 L CB 0.993 42.931 42.059 -0.202 0.000 1.130 252 L HN 0.580 nan 8.230 nan 0.000 0.474 253 V N 1.948 121.786 119.914 -0.127 0.000 2.617 253 V HA 0.528 4.648 4.120 -0.000 0.000 0.298 253 V C 0.416 176.457 176.094 -0.088 0.000 1.048 253 V CA -0.383 61.871 62.300 -0.076 0.000 0.964 253 V CB 1.155 32.951 31.823 -0.045 0.000 1.004 253 V HN 0.914 nan 8.190 nan 0.000 0.466 254 T N 1.052 115.594 114.554 -0.020 0.000 2.868 254 T HA 0.153 4.503 4.350 -0.000 0.000 0.292 254 T C 0.957 175.678 174.700 0.035 0.000 1.028 254 T CA 0.658 62.783 62.100 0.042 0.000 1.059 254 T CB 0.983 69.928 68.868 0.128 0.000 0.991 254 T HN 1.075 nan 8.240 nan 0.000 0.531 255 E N 1.990 122.189 120.200 -0.002 0.000 2.204 255 E HA -0.028 4.322 4.350 -0.000 0.000 0.194 255 E C 2.064 178.402 176.600 -0.437 0.000 0.989 255 E CA 1.061 57.241 56.400 -0.367 0.000 0.824 255 E CB -0.732 28.475 29.700 -0.822 0.000 0.756 255 E HN 0.923 nan 8.360 nan 0.000 0.477 256 G N 0.231 108.968 108.800 -0.104 0.000 2.516 256 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.221 256 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.221 256 G C 1.494 176.430 174.900 0.061 0.000 1.107 256 G CA 0.913 46.121 45.100 0.181 0.000 0.747 256 G HN 0.374 nan 8.290 nan 0.000 0.567 257 C N -0.197 119.100 119.300 -0.005 0.000 2.462 257 C HA 0.053 4.513 4.460 -0.000 0.000 0.278 257 C C 2.977 177.944 174.990 -0.039 0.000 1.253 257 C CA 0.809 59.812 59.018 -0.025 0.000 1.713 257 C CB -0.718 26.998 27.740 -0.040 0.000 2.049 257 C HN 0.461 nan 8.230 nan 0.000 0.477 258 R N 0.794 121.249 120.500 -0.075 0.000 2.092 258 R HA 0.009 4.349 4.340 -0.000 0.000 0.231 258 R C 2.370 178.648 176.300 -0.036 0.000 1.119 258 R CA 1.465 57.529 56.100 -0.060 0.000 0.970 258 R CB -0.769 29.464 30.300 -0.112 0.000 0.864 258 R HN 0.607 nan 8.270 nan 0.000 0.440 259 G N 0.651 109.414 108.800 -0.063 0.000 2.422 259 G HA2 -0.203 3.756 3.960 -0.000 0.000 0.218 259 G HA3 -0.203 3.756 3.960 -0.000 0.000 0.218 259 G C 1.060 176.007 174.900 0.078 0.000 1.140 259 G CA 0.382 45.494 45.100 0.021 0.000 0.775 259 G HN 0.194 nan 8.290 nan 0.000 0.545 260 E N 0.196 120.440 120.200 0.074 0.000 2.502 260 E HA 0.163 4.513 4.350 -0.000 0.000 0.194 260 E C 1.752 178.381 176.600 0.048 0.000 1.062 260 E CA 0.618 57.064 56.400 0.077 0.000 0.867 260 E CB 0.247 29.985 29.700 0.064 0.000 0.888 260 E HN 0.486 nan 8.360 nan 0.000 0.510 261 G N 0.497 109.337 108.800 0.066 0.000 2.205 261 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.180 261 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.180 261 G C 0.649 175.685 174.900 0.226 0.000 1.004 261 G CA -0.264 44.922 45.100 0.143 0.000 0.670 261 G HN 0.463 nan 8.290 nan 0.000 0.496 262 G N -0.048 108.795 108.800 0.073 0.000 2.569 262 G HA2 0.691 4.651 3.960 -0.000 0.000 0.249 262 G HA3 0.691 4.651 3.960 -0.000 0.000 0.249 262 G C -0.293 174.646 174.900 0.064 0.000 1.216 262 G CA 0.262 45.374 45.100 0.021 0.000 0.845 262 G HN 1.394 nan 8.290 nan 0.000 0.568 263 Y N -1.682 118.646 120.300 0.047 0.000 2.597 263 Y HA 0.662 5.212 4.550 -0.000 0.000 0.340 263 Y C -0.856 174.989 175.900 -0.092 0.000 1.097 263 Y CA -1.788 56.276 58.100 -0.059 0.000 1.037 263 Y CB 1.115 39.524 38.460 -0.085 0.000 1.305 263 Y HN 0.414 nan 8.280 nan 0.000 0.463 264 L N 3.374 124.605 121.223 0.013 0.000 2.305 264 L HA 0.530 4.870 4.340 -0.000 0.000 0.281 264 L C -0.602 176.223 176.870 -0.076 0.000 1.085 264 L CA -0.451 54.328 54.840 -0.102 0.000 0.813 264 L CB 0.954 42.826 42.059 -0.312 0.000 1.157 264 L HN 0.567 nan 8.230 nan 0.000 0.436 265 L N 3.205 124.515 121.223 0.145 0.000 2.346 265 L HA 0.499 4.838 4.340 -0.000 0.000 0.274 265 L C -0.221 176.896 176.870 0.412 0.000 1.007 265 L CA -0.925 54.071 54.840 0.261 0.000 0.818 265 L CB 1.876 44.049 42.059 0.191 0.000 1.284 265 L HN 0.663 nan 8.230 nan 0.000 0.424 266 N N 1.568 120.532 118.700 0.439 0.000 2.566 266 N HA 0.163 4.903 4.740 -0.000 0.000 0.299 266 N C 0.505 176.044 175.510 0.048 0.000 1.277 266 N CA -0.786 52.375 53.050 0.185 0.000 0.965 266 N CB 0.385 38.913 38.487 0.068 0.000 1.142 266 N HN 0.594 nan 8.380 nan 0.000 0.596 267 K N -1.000 119.330 120.400 -0.116 0.000 2.209 267 K HA -0.150 4.169 4.320 -0.000 0.000 0.204 267 K C 0.555 177.041 176.600 -0.190 0.000 1.048 267 K CA 1.477 57.642 56.287 -0.204 0.000 0.940 267 K CB -0.560 31.744 32.500 -0.327 0.000 0.729 267 K HN 0.605 nan 8.250 nan 0.000 0.451 268 H N -0.392 118.710 119.070 0.053 0.000 2.539 268 H HA 0.203 4.759 4.556 -0.000 0.000 0.269 268 H C 0.897 176.266 175.328 0.068 0.000 0.980 268 H CA 0.239 56.318 56.048 0.052 0.000 1.152 268 H CB 0.889 30.676 29.762 0.043 0.000 1.407 268 H HN 0.569 nan 8.280 nan 0.000 0.564 269 G N 0.931 109.830 108.800 0.166 0.000 2.143 269 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.249 269 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.249 269 G C 0.132 175.126 174.900 0.156 0.000 0.981 269 G CA 0.187 45.376 45.100 0.148 0.000 0.665 269 G HN 0.514 nan 8.290 nan 0.000 0.528 270 E N 0.442 120.758 120.200 0.193 0.000 2.316 270 E HA 0.258 4.608 4.350 -0.000 0.000 0.275 270 E C 0.717 177.430 176.600 0.189 0.000 1.029 270 E CA -0.721 55.782 56.400 0.172 0.000 0.871 270 E CB 0.286 30.103 29.700 0.195 0.000 1.022 270 E HN 0.329 nan 8.360 nan 0.000 0.418 271 R N 5.473 126.008 120.500 0.059 0.000 3.688 271 R HA 0.002 4.342 4.340 -0.000 0.000 0.194 271 R C 0.826 177.090 176.300 -0.059 0.000 1.677 271 R CA -0.118 55.949 56.100 -0.055 0.000 1.351 271 R CB -0.677 29.492 30.300 -0.218 0.000 1.338 271 R HN 0.529 nan 8.270 nan 0.000 0.731 272 F N 0.612 120.630 119.950 0.113 0.000 2.307 272 F HA -0.206 4.321 4.527 -0.000 0.000 0.301 272 F C 1.364 177.322 175.800 0.264 0.000 1.076 272 F CA 0.487 58.600 58.000 0.187 0.000 1.383 272 F CB -0.302 38.853 39.000 0.258 0.000 1.055 272 F HN 0.253 nan 8.300 nan 0.000 0.526 273 M N 1.195 120.661 119.600 -0.223 0.000 2.279 273 M HA -0.139 4.340 4.480 -0.000 0.000 0.264 273 M C 1.931 178.266 176.300 0.058 0.000 1.062 273 M CA 1.162 56.438 55.300 -0.039 0.000 1.099 273 M CB -1.244 31.220 32.600 -0.226 0.000 1.394 273 M HN 0.412 nan 8.290 nan 0.000 0.426 274 E N -0.893 119.309 120.200 0.003 0.000 2.204 274 E HA -0.180 4.169 4.350 -0.000 0.000 0.194 274 E C 2.148 178.765 176.600 0.028 0.000 0.989 274 E CA 0.686 57.085 56.400 -0.001 0.000 0.824 274 E CB -0.083 29.591 29.700 -0.043 0.000 0.756 274 E HN 0.465 nan 8.360 nan 0.000 0.477 275 R N -0.180 120.352 120.500 0.054 0.000 2.080 275 R HA -0.065 4.275 4.340 -0.000 0.000 0.222 275 R C 1.704 177.981 176.300 -0.038 0.000 1.107 275 R CA 0.854 56.941 56.100 -0.022 0.000 0.980 275 R CB 0.030 30.277 30.300 -0.088 0.000 0.879 275 R HN 0.165 nan 8.270 nan 0.000 0.439 276 Y N -0.447 119.916 120.300 0.104 0.000 2.263 276 Y HA 0.115 4.665 4.550 -0.000 0.000 0.292 276 Y C 0.684 176.644 175.900 0.099 0.000 1.130 276 Y CA 0.955 59.125 58.100 0.116 0.000 1.179 276 Y CB 0.386 38.944 38.460 0.163 0.000 0.998 276 Y HN 0.094 nan 8.280 nan 0.000 0.532 277 A N -0.561 122.393 122.820 0.223 0.000 2.815 277 A HA 0.421 4.741 4.320 -0.000 0.000 0.318 277 A C -2.256 175.390 177.584 0.104 0.000 1.186 277 A CA -1.184 50.955 52.037 0.171 0.000 0.754 277 A CB 0.416 19.523 19.000 0.178 0.000 1.151 277 A HN -0.032 nan 8.150 nan 0.000 0.452 278 P HA -0.120 nan 4.420 nan 0.000 0.218 278 P C 1.147 178.468 177.300 0.034 0.000 1.149 278 P CA 1.164 64.287 63.100 0.039 0.000 0.817 278 P CB 0.364 32.080 31.700 0.026 0.000 0.785 279 N N -0.288 118.446 118.700 0.056 0.000 2.124 279 N HA -0.041 4.699 4.740 -0.000 0.000 0.189 279 N C 1.762 177.303 175.510 0.051 0.000 1.050 279 N CA 1.646 54.726 53.050 0.049 0.000 0.848 279 N CB -1.042 37.483 38.487 0.062 0.000 1.027 279 N HN 0.018 nan 8.380 nan 0.000 0.435 280 A N 0.528 123.403 122.820 0.092 0.000 2.016 280 A HA 0.005 4.325 4.320 -0.000 0.000 0.217 280 A C 0.946 178.537 177.584 0.011 0.000 1.162 280 A CA 0.793 52.870 52.037 0.067 0.000 0.662 280 A CB -0.043 19.031 19.000 0.122 0.000 0.812 280 A HN 0.351 nan 8.150 nan 0.000 0.450 281 K N -1.990 118.420 120.400 0.018 0.000 2.546 281 K HA -0.265 4.054 4.320 -0.000 0.000 0.155 281 K C 0.423 176.989 176.600 -0.056 0.000 1.219 281 K CA 1.798 58.074 56.287 -0.017 0.000 0.377 281 K CB -1.505 30.971 32.500 -0.040 0.000 0.691 281 K HN 0.381 nan 8.250 nan 0.000 0.744 282 D N 1.045 121.398 120.400 -0.079 0.000 2.347 282 D HA 0.050 4.690 4.640 -0.000 0.000 0.215 282 D C 0.951 177.171 176.300 -0.134 0.000 0.976 282 D CA 0.756 54.689 54.000 -0.111 0.000 0.884 282 D CB 0.045 40.798 40.800 -0.079 0.000 0.915 282 D HN 0.190 nan 8.370 nan 0.000 0.526 283 L N 0.443 121.594 121.223 -0.119 0.000 2.848 283 L HA 0.396 4.735 4.340 -0.000 0.000 0.240 283 L C 0.866 177.611 176.870 -0.208 0.000 1.232 283 L CA -0.664 54.084 54.840 -0.154 0.000 1.031 283 L CB -0.091 41.912 42.059 -0.093 0.000 1.338 283 L HN -0.012 nan 8.230 nan 0.000 0.509 284 A N 0.035 122.699 122.820 -0.260 0.000 2.281 284 A HA 0.519 4.839 4.320 -0.000 0.000 0.271 284 A C 0.949 178.099 177.584 -0.723 0.000 1.196 284 A CA 0.264 51.982 52.037 -0.532 0.000 0.807 284 A CB -0.176 18.625 19.000 -0.330 0.000 1.138 284 A HN 0.296 nan 8.150 nan 0.000 0.506 285 G N -1.529 106.502 108.800 -1.282 0.000 2.554 285 G HA2 0.300 4.260 3.960 -0.000 0.000 0.238 285 G HA3 0.300 4.260 3.960 -0.000 0.000 0.238 285 G C 0.699 175.398 174.900 -0.334 0.000 1.259 285 G CA -0.187 44.495 45.100 -0.696 0.000 0.843 285 G HN 0.749 nan 8.290 nan 0.000 0.582 286 R N 0.050 120.419 120.500 -0.218 0.000 2.073 286 R HA -0.078 4.262 4.340 -0.000 0.000 0.229 286 R C 2.399 178.629 176.300 -0.117 0.000 1.120 286 R CA 1.434 57.416 56.100 -0.197 0.000 0.967 286 R CB -0.097 30.085 30.300 -0.198 0.000 0.862 286 R HN 0.819 nan 8.270 nan 0.000 0.436 287 D N 0.311 120.680 120.400 -0.051 0.000 2.182 287 D HA -0.133 4.506 4.640 -0.000 0.000 0.201 287 D C 1.698 177.971 176.300 -0.045 0.000 0.986 287 D CA 1.129 55.118 54.000 -0.019 0.000 0.847 287 D CB -0.262 40.556 40.800 0.030 0.000 0.942 287 D HN 0.093 nan 8.370 nan 0.000 0.467 288 V N 0.835 120.730 119.914 -0.030 0.000 2.302 288 V HA -0.172 3.948 4.120 -0.000 0.000 0.243 288 V C 3.002 179.065 176.094 -0.053 0.000 1.036 288 V CA 1.008 63.309 62.300 0.002 0.000 1.020 288 V CB -0.352 31.521 31.823 0.085 0.000 0.657 288 V HN 0.080 nan 8.190 nan 0.000 0.453 289 V N 0.694 120.550 119.914 -0.097 0.000 2.324 289 V HA -0.313 3.807 4.120 -0.000 0.000 0.250 289 V C 2.742 178.787 176.094 -0.081 0.000 1.060 289 V CA 2.149 64.390 62.300 -0.099 0.000 1.042 289 V CB -1.329 30.405 31.823 -0.148 0.000 0.650 289 V HN 0.550 nan 8.190 nan 0.000 0.450 290 A N 0.130 122.893 122.820 -0.094 0.000 1.842 290 A HA -0.298 4.022 4.320 -0.000 0.000 0.217 290 A C 2.371 179.877 177.584 -0.130 0.000 1.206 290 A CA 2.374 54.358 52.037 -0.089 0.000 0.630 290 A CB -0.703 18.252 19.000 -0.075 0.000 0.839 290 A HN 0.485 nan 8.150 nan 0.000 0.447 291 R N -0.458 119.932 120.500 -0.182 0.000 2.103 291 R HA -0.129 4.211 4.340 -0.000 0.000 0.242 291 R C 2.599 178.859 176.300 -0.067 0.000 1.142 291 R CA 1.639 57.634 56.100 -0.175 0.000 0.960 291 R CB -0.506 29.708 30.300 -0.143 0.000 0.858 291 R HN 0.564 nan 8.270 nan 0.000 0.439 292 S N 0.901 116.475 115.700 -0.209 0.000 2.370 292 S HA -0.134 4.335 4.470 -0.000 0.000 0.226 292 S C 1.944 176.314 174.600 -0.382 0.000 1.033 292 S CA 1.250 59.095 58.200 -0.592 0.000 1.011 292 S CB -0.189 62.623 63.200 -0.647 0.000 0.852 292 S HN 0.258 nan 8.310 nan 0.000 0.457 293 I N 0.882 121.380 120.570 -0.121 0.000 2.394 293 I HA -0.152 4.017 4.170 -0.000 0.000 0.251 293 I C 2.228 178.267 176.117 -0.129 0.000 1.136 293 I CA 0.814 62.051 61.300 -0.105 0.000 1.425 293 I CB -0.275 37.759 38.000 0.056 0.000 1.079 293 I HN 0.280 nan 8.210 nan 0.000 0.425 294 M N 0.190 119.765 119.600 -0.042 0.000 2.156 294 M HA -0.090 4.390 4.480 -0.000 0.000 0.264 294 M C 2.442 178.790 176.300 0.081 0.000 1.067 294 M CA 1.761 57.098 55.300 0.062 0.000 1.131 294 M CB -0.856 31.853 32.600 0.181 0.000 1.368 294 M HN 0.174 nan 8.290 nan 0.000 0.416 295 I N 0.030 120.654 120.570 0.090 0.000 2.286 295 I HA -0.267 3.902 4.170 -0.000 0.000 0.248 295 I C 2.388 178.495 176.117 -0.017 0.000 1.115 295 I CA 0.994 62.334 61.300 0.066 0.000 1.392 295 I CB -0.411 37.683 38.000 0.158 0.000 1.065 295 I HN 0.251 nan 8.210 nan 0.000 0.418 296 E N 0.817 120.930 120.200 -0.146 0.000 2.077 296 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 296 E C 2.295 178.798 176.600 -0.162 0.000 0.989 296 E CA 1.439 57.696 56.400 -0.239 0.000 0.800 296 E CB -0.233 29.079 29.700 -0.647 0.000 0.746 296 E HN 0.538 nan 8.360 nan 0.000 0.452 297 I N 0.303 120.793 120.570 -0.132 0.000 2.233 297 I HA -0.178 3.992 4.170 -0.000 0.000 0.243 297 I C 2.635 178.719 176.117 -0.054 0.000 1.093 297 I CA 0.679 61.926 61.300 -0.088 0.000 1.380 297 I CB -0.197 37.770 38.000 -0.056 0.000 1.067 297 I HN -0.044 nan 8.210 nan 0.000 0.413 298 R N 0.847 121.327 120.500 -0.034 0.000 2.303 298 R HA -0.147 4.192 4.340 -0.000 0.000 0.225 298 R C 0.824 177.097 176.300 -0.046 0.000 1.114 298 R CA 1.085 57.165 56.100 -0.032 0.000 1.007 298 R CB 0.023 30.308 30.300 -0.025 0.000 0.861 298 R HN 0.456 nan 8.270 nan 0.000 0.471 299 E N -1.686 118.490 120.200 -0.040 0.000 2.624 299 E HA 0.146 4.496 4.350 -0.000 0.000 0.210 299 E C 0.394 176.980 176.600 -0.022 0.000 0.997 299 E CA 0.273 56.654 56.400 -0.031 0.000 0.999 299 E CB 1.309 30.998 29.700 -0.017 0.000 1.040 299 E HN 0.439 nan 8.360 nan 0.000 0.469 300 G N 1.988 110.767 108.800 -0.034 0.000 2.179 300 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.260 300 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.260 300 G C 0.971 175.841 174.900 -0.049 0.000 0.977 300 G CA 0.228 45.309 45.100 -0.033 0.000 0.641 300 G HN 0.276 nan 8.290 nan 0.000 0.533 301 R N 0.546 121.010 120.500 -0.061 0.000 2.334 301 R HA 0.308 4.648 4.340 -0.000 0.000 0.216 301 R C 1.627 177.820 176.300 -0.179 0.000 0.905 301 R CA 0.366 56.403 56.100 -0.105 0.000 1.064 301 R CB 0.406 30.701 30.300 -0.007 0.000 1.046 301 R HN 0.377 nan 8.270 nan 0.000 0.508 302 G N 0.338 109.039 108.800 -0.165 0.000 2.537 302 G HA2 0.291 4.251 3.960 -0.000 0.000 0.273 302 G HA3 0.291 4.251 3.960 -0.000 0.000 0.273 302 G C -0.095 174.678 174.900 -0.212 0.000 1.189 302 G CA -0.567 44.418 45.100 -0.192 0.000 0.881 302 G HN 0.163 nan 8.290 nan 0.000 0.535 303 C N 0.166 119.275 119.300 -0.319 0.000 2.358 303 C HA 0.654 5.114 4.460 -0.000 0.000 0.354 303 C C 0.353 175.155 174.990 -0.314 0.000 1.183 303 C CA -0.908 57.920 59.018 -0.317 0.000 2.150 303 C CB 1.526 29.074 27.740 -0.319 0.000 2.361 303 C HN 0.770 nan 8.230 nan 0.000 0.535 304 D N -1.259 119.106 120.400 -0.057 0.000 2.627 304 D HA 0.730 5.369 4.640 -0.000 0.000 0.259 304 D C 0.190 176.697 176.300 0.344 0.000 1.164 304 D CA 0.595 54.672 54.000 0.128 0.000 1.087 304 D CB 2.267 43.114 40.800 0.077 0.000 1.217 304 D HN 0.965 nan 8.370 nan 0.000 0.630 305 G N -0.604 108.361 108.800 0.274 0.000 2.350 305 G HA2 0.028 3.988 3.960 -0.000 0.000 0.276 305 G HA3 0.028 3.988 3.960 -0.000 0.000 0.276 305 G C -2.432 172.417 174.900 -0.086 0.000 1.313 305 G CA -0.409 44.771 45.100 0.134 0.000 0.903 305 G HN 0.304 nan 8.290 nan 0.000 0.490 306 P HA 0.071 nan 4.420 nan 0.000 0.223 306 P C 1.258 178.371 177.300 -0.311 0.000 1.151 306 P CA 1.011 63.827 63.100 -0.474 0.000 0.787 306 P CB 0.065 31.330 31.700 -0.724 0.000 0.788 307 W N 0.143 121.456 121.300 0.021 0.000 2.678 307 W HA 0.312 4.972 4.660 -0.000 0.000 0.256 307 W C 1.035 177.591 176.519 0.062 0.000 1.280 307 W CA 1.148 58.497 57.345 0.007 0.000 1.345 307 W CB -0.876 28.518 29.460 -0.110 0.000 1.118 307 W HN 0.020 nan 8.180 nan 0.000 0.629 308 G N 0.155 109.137 108.800 0.303 0.000 2.631 308 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.504 308 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.504 308 G C -3.087 172.016 174.900 0.339 0.000 1.306 308 G CA -1.372 43.875 45.100 0.244 0.000 0.897 308 G HN -0.286 nan 8.290 nan 0.000 0.520 309 P HA 0.378 nan 4.420 nan 0.000 0.271 309 P C -0.227 177.187 177.300 0.190 0.000 1.216 309 P CA 0.418 63.598 63.100 0.133 0.000 0.771 309 P CB 0.687 32.419 31.700 0.053 0.000 0.864 310 H N 0.217 119.319 119.070 0.052 0.000 2.987 310 H HA 0.695 5.251 4.556 -0.000 0.000 0.316 310 H C -1.810 173.525 175.328 0.011 0.000 1.380 310 H CA -1.188 54.878 56.048 0.029 0.000 1.160 310 H CB 0.515 30.286 29.762 0.016 0.000 1.865 310 H HN 0.431 nan 8.280 nan 0.000 0.521 311 A N 1.525 124.414 122.820 0.114 0.000 2.269 311 A HA 0.552 4.872 4.320 -0.000 0.000 0.327 311 A C -0.291 177.429 177.584 0.226 0.000 1.112 311 A CA -0.951 51.159 52.037 0.121 0.000 0.865 311 A CB 0.967 20.101 19.000 0.223 0.000 1.227 311 A HN 0.529 nan 8.150 nan 0.000 0.498 312 K N 0.305 120.813 120.400 0.180 0.000 2.130 312 K HA 0.440 4.760 4.320 -0.000 0.000 0.268 312 K C -1.457 175.176 176.600 0.054 0.000 0.983 312 K CA -0.517 55.835 56.287 0.108 0.000 0.893 312 K CB 1.734 34.283 32.500 0.083 0.000 1.066 312 K HN 0.463 nan 8.250 nan 0.000 0.450 313 L N 2.781 123.994 121.223 -0.017 0.000 2.301 313 L HA 0.271 4.610 4.340 -0.000 0.000 0.278 313 L C -0.238 176.572 176.870 -0.099 0.000 1.022 313 L CA -0.275 54.533 54.840 -0.054 0.000 0.854 313 L CB 0.710 42.737 42.059 -0.054 0.000 1.226 313 L HN 0.461 nan 8.230 nan 0.000 0.429 314 K N 4.546 124.850 120.400 -0.159 0.000 2.312 314 K HA 0.323 4.643 4.320 -0.000 0.000 0.287 314 K C -0.012 176.476 176.600 -0.188 0.000 1.062 314 K CA -0.052 56.118 56.287 -0.194 0.000 0.934 314 K CB 0.607 32.929 32.500 -0.297 0.000 1.027 314 K HN 0.869 nan 8.250 nan 0.000 0.478 315 L N 3.260 124.414 121.223 -0.116 0.000 2.803 315 L HA 0.062 4.402 4.340 -0.000 0.000 0.246 315 L C 1.178 177.933 176.870 -0.192 0.000 1.100 315 L CA 0.150 54.887 54.840 -0.171 0.000 0.919 315 L CB 0.158 42.135 42.059 -0.136 0.000 1.285 315 L HN 0.790 nan 8.230 nan 0.000 0.522 316 D N -0.294 120.064 120.400 -0.069 0.000 2.239 316 D HA -0.330 4.310 4.640 -0.000 0.000 0.202 316 D C 1.868 178.149 176.300 -0.033 0.000 0.993 316 D CA 1.776 55.753 54.000 -0.039 0.000 0.874 316 D CB -0.398 40.405 40.800 0.005 0.000 0.922 316 D HN 0.541 nan 8.370 nan 0.000 0.464 317 H N 0.732 119.768 119.070 -0.056 0.000 2.546 317 H HA 0.035 4.591 4.556 -0.000 0.000 0.277 317 H C 1.742 177.066 175.328 -0.007 0.000 1.004 317 H CA 0.509 56.546 56.048 -0.019 0.000 1.231 317 H CB -0.429 29.335 29.762 0.002 0.000 1.382 317 H HN 0.295 nan 8.280 nan 0.000 0.580 318 L N 0.665 121.618 121.223 -0.451 0.000 2.552 318 L HA 0.175 4.515 4.340 -0.000 0.000 0.227 318 L C 0.878 177.677 176.870 -0.118 0.000 1.146 318 L CA 0.454 55.124 54.840 -0.284 0.000 0.858 318 L CB -0.338 41.534 42.059 -0.312 0.000 0.969 318 L HN 0.524 nan 8.230 nan 0.000 0.451 319 G N 0.669 109.418 108.800 -0.085 0.000 2.722 319 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.686 319 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.686 319 G C 0.323 175.196 174.900 -0.046 0.000 1.282 319 G CA -0.013 45.061 45.100 -0.043 0.000 0.817 319 G HN 0.127 nan 8.290 nan 0.000 0.605 320 K N 0.365 120.746 120.400 -0.031 0.000 2.044 320 K HA -0.177 4.143 4.320 -0.000 0.000 0.210 320 K C 2.230 178.810 176.600 -0.032 0.000 1.049 320 K CA 2.201 58.470 56.287 -0.030 0.000 0.927 320 K CB -0.168 32.319 32.500 -0.021 0.000 0.713 320 K HN 0.688 nan 8.250 nan 0.000 0.443 321 E N -0.118 120.066 120.200 -0.028 0.000 2.085 321 E HA -0.176 4.174 4.350 -0.000 0.000 0.194 321 E C 1.861 178.439 176.600 -0.036 0.000 0.994 321 E CA 1.296 57.679 56.400 -0.028 0.000 0.801 321 E CB 0.170 29.857 29.700 -0.021 0.000 0.743 321 E HN 0.130 nan 8.360 nan 0.000 0.453 322 V N 0.674 120.564 119.914 -0.039 0.000 2.407 322 V HA -0.192 3.927 4.120 -0.000 0.000 0.245 322 V C 2.289 178.354 176.094 -0.050 0.000 1.041 322 V CA 1.133 63.406 62.300 -0.045 0.000 1.040 322 V CB -0.234 31.565 31.823 -0.040 0.000 0.671 322 V HN 0.308 nan 8.190 nan 0.000 0.455 323 L N -0.408 120.783 121.223 -0.053 0.000 2.056 323 L HA -0.171 4.169 4.340 -0.000 0.000 0.207 323 L C 2.450 179.295 176.870 -0.042 0.000 1.078 323 L CA 1.668 56.477 54.840 -0.051 0.000 0.749 323 L CB -0.459 41.565 42.059 -0.058 0.000 0.901 323 L HN 0.346 nan 8.230 nan 0.000 0.433 324 E N -1.147 119.028 120.200 -0.040 0.000 2.347 324 E HA -0.159 4.191 4.350 -0.000 0.000 0.196 324 E C 2.165 178.741 176.600 -0.041 0.000 1.008 324 E CA 0.993 57.371 56.400 -0.037 0.000 0.852 324 E CB 0.166 29.846 29.700 -0.033 0.000 0.783 324 E HN 0.332 nan 8.360 nan 0.000 0.505 325 S N -0.212 115.459 115.700 -0.049 0.000 2.460 325 S HA 0.041 4.511 4.470 -0.000 0.000 0.226 325 S C 1.800 176.355 174.600 -0.075 0.000 1.057 325 S CA 0.052 58.215 58.200 -0.062 0.000 0.948 325 S CB 0.300 63.458 63.200 -0.071 0.000 0.822 325 S HN 0.018 nan 8.310 nan 0.000 0.512 326 R N 0.592 121.050 120.500 -0.069 0.000 2.156 326 R HA 0.426 4.766 4.340 -0.000 0.000 0.207 326 R C 0.604 176.899 176.300 -0.009 0.000 1.040 326 R CA 0.483 56.545 56.100 -0.063 0.000 1.013 326 R CB -0.516 29.755 30.300 -0.048 0.000 0.931 326 R HN 0.412 nan 8.270 nan 0.000 0.465 327 L N 1.875 123.091 121.223 -0.012 0.000 3.291 327 L HA 0.264 4.604 4.340 -0.000 0.000 0.307 327 L C -1.676 175.188 176.870 -0.011 0.000 1.303 327 L CA -0.798 54.044 54.840 0.002 0.000 0.949 327 L CB 1.444 43.505 42.059 0.002 0.000 1.375 327 L HN -0.106 nan 8.230 nan 0.000 0.596 328 P HA -0.082 nan 4.420 nan 0.000 0.226 328 P C 1.487 178.773 177.300 -0.022 0.000 1.153 328 P CA 1.087 64.171 63.100 -0.026 0.000 0.777 328 P CB 0.377 32.057 31.700 -0.033 0.000 0.794 329 G N 1.459 110.251 108.800 -0.015 0.000 2.394 329 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.215 329 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.215 329 G C 1.454 176.357 174.900 0.005 0.000 1.165 329 G CA 0.839 45.932 45.100 -0.010 0.000 0.784 329 G HN 0.383 nan 8.290 nan 0.000 0.535 330 I N -0.977 119.597 120.570 0.006 0.000 2.546 330 I HA 0.127 4.297 4.170 -0.000 0.000 0.255 330 I C 2.349 178.467 176.117 0.002 0.000 1.163 330 I CA 0.672 61.977 61.300 0.008 0.000 1.457 330 I CB -0.324 37.676 38.000 0.000 0.000 1.092 330 I HN 0.032 nan 8.210 nan 0.000 0.434 331 L N 0.637 121.854 121.223 -0.009 0.000 2.012 331 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 331 L C 2.708 179.569 176.870 -0.014 0.000 1.073 331 L CA 1.974 56.804 54.840 -0.017 0.000 0.748 331 L CB -0.694 41.350 42.059 -0.024 0.000 0.891 331 L HN 0.350 nan 8.230 nan 0.000 0.431 332 E N -0.027 120.167 120.200 -0.011 0.000 2.047 332 E HA -0.188 4.162 4.350 -0.000 0.000 0.191 332 E C 2.380 178.987 176.600 0.013 0.000 0.987 332 E CA 0.886 57.277 56.400 -0.016 0.000 0.799 332 E CB -0.035 29.654 29.700 -0.018 0.000 0.752 332 E HN 0.385 nan 8.360 nan 0.000 0.449 333 L N 0.338 121.600 121.223 0.065 0.000 2.083 333 L HA -0.208 4.132 4.340 -0.000 0.000 0.209 333 L C 2.637 179.609 176.870 0.170 0.000 1.083 333 L CA 1.049 55.994 54.840 0.174 0.000 0.752 333 L CB -0.433 41.714 42.059 0.147 0.000 0.899 333 L HN 0.167 nan 8.230 nan 0.000 0.433 334 S N -0.027 115.717 115.700 0.073 0.000 2.345 334 S HA -0.166 4.304 4.470 -0.000 0.000 0.220 334 S C 2.121 176.744 174.600 0.037 0.000 1.031 334 S CA 1.080 59.309 58.200 0.049 0.000 0.996 334 S CB -0.038 63.163 63.200 0.000 0.000 0.882 334 S HN 0.301 nan 8.310 nan 0.000 0.445 335 R N 0.095 120.587 120.500 -0.012 0.000 2.091 335 R HA -0.043 4.297 4.340 -0.000 0.000 0.238 335 R C 2.515 178.707 176.300 -0.179 0.000 1.136 335 R CA 2.053 58.110 56.100 -0.070 0.000 0.959 335 R CB -0.801 29.451 30.300 -0.079 0.000 0.856 335 R HN 0.427 nan 8.270 nan 0.000 0.437 336 T N -0.034 114.410 114.554 -0.183 0.000 2.732 336 T HA -0.048 4.302 4.350 -0.000 0.000 0.261 336 T C 1.174 175.639 174.700 -0.392 0.000 1.040 336 T CA 1.223 63.092 62.100 -0.384 0.000 1.145 336 T CB -0.129 68.442 68.868 -0.495 0.000 0.866 336 T HN 0.092 nan 8.240 nan 0.000 0.427 337 F N 0.333 120.307 119.950 0.040 0.000 2.749 337 F HA 0.530 5.057 4.527 -0.000 0.000 0.300 337 F C 1.993 177.925 175.800 0.220 0.000 1.103 337 F CA -0.239 57.837 58.000 0.127 0.000 1.342 337 F CB 0.124 39.174 39.000 0.084 0.000 1.098 337 F HN 0.148 nan 8.300 nan 0.000 0.586 338 A N -2.108 120.927 122.820 0.358 0.000 2.456 338 A HA 0.255 4.575 4.320 -0.000 0.000 0.237 338 A C 0.185 178.105 177.584 0.559 0.000 1.217 338 A CA -0.058 52.230 52.037 0.418 0.000 0.962 338 A CB -0.595 18.481 19.000 0.127 0.000 1.079 338 A HN 0.371 nan 8.150 nan 0.000 0.536 339 H N -1.422 117.760 119.070 0.187 0.000 2.776 339 H HA -0.141 4.415 4.556 -0.000 0.000 0.300 339 H C -0.483 174.937 175.328 0.153 0.000 1.161 339 H CA 0.780 56.910 56.048 0.138 0.000 1.147 339 H CB -2.108 27.727 29.762 0.121 0.000 1.366 339 H HN 0.233 nan 8.280 nan 0.000 0.397 340 V N 0.492 120.517 119.914 0.185 0.000 2.540 340 V HA 0.227 4.347 4.120 -0.000 0.000 0.302 340 V C 0.217 176.334 176.094 0.038 0.000 1.035 340 V CA -0.881 61.487 62.300 0.114 0.000 0.873 340 V CB 2.134 33.981 31.823 0.041 0.000 0.992 340 V HN 0.250 nan 8.190 nan 0.000 0.428 341 D N 6.518 126.937 120.400 0.030 0.000 2.380 341 D HA 0.361 5.001 4.640 -0.000 0.000 0.230 341 D C -1.793 174.501 176.300 -0.009 0.000 1.154 341 D CA -2.161 51.842 54.000 0.005 0.000 0.859 341 D CB 2.117 42.922 40.800 0.008 0.000 1.045 341 D HN 0.199 nan 8.370 nan 0.000 0.495 342 P HA -0.073 nan 4.420 nan 0.000 0.230 342 P C 1.267 178.544 177.300 -0.039 0.000 1.158 342 P CA 0.300 63.377 63.100 -0.039 0.000 0.769 342 P CB 0.380 32.051 31.700 -0.048 0.000 0.807 343 V N -0.144 119.753 119.914 -0.029 0.000 2.667 343 V HA -0.149 3.970 4.120 -0.000 0.000 0.252 343 V C 2.059 178.145 176.094 -0.014 0.000 1.065 343 V CA 1.593 63.877 62.300 -0.027 0.000 1.083 343 V CB -0.829 30.981 31.823 -0.022 0.000 0.692 343 V HN 0.194 nan 8.190 nan 0.000 0.468 344 K N 0.043 120.440 120.400 -0.004 0.000 2.262 344 K HA 0.272 4.591 4.320 -0.000 0.000 0.200 344 K C 0.799 177.406 176.600 0.012 0.000 1.058 344 K CA 0.270 56.563 56.287 0.009 0.000 0.974 344 K CB 0.896 33.406 32.500 0.017 0.000 0.910 344 K HN 0.468 nan 8.250 nan 0.000 0.484 345 E N 1.508 121.711 120.200 0.005 0.000 2.331 345 E HA 0.298 4.647 4.350 -0.000 0.000 0.275 345 E C -2.868 173.716 176.600 -0.026 0.000 0.895 345 E CA -2.397 54.006 56.400 0.006 0.000 0.753 345 E CB 2.617 32.337 29.700 0.032 0.000 1.216 345 E HN -0.240 nan 8.360 nan 0.000 0.434 346 P HA 0.046 nan 4.420 nan 0.000 0.265 346 P C -0.456 176.765 177.300 -0.132 0.000 1.187 346 P CA 0.442 63.499 63.100 -0.071 0.000 0.766 346 P CB 0.326 31.997 31.700 -0.047 0.000 0.820 347 I N 5.604 126.087 120.570 -0.146 0.000 2.496 347 I HA 0.140 4.310 4.170 -0.000 0.000 0.285 347 I C -1.736 174.202 176.117 -0.298 0.000 1.080 347 I CA -2.049 59.120 61.300 -0.219 0.000 1.404 347 I CB 0.574 38.488 38.000 -0.142 0.000 1.403 347 I HN 0.186 nan 8.210 nan 0.000 0.539 348 P HA 0.143 nan 4.420 nan 0.000 0.276 348 P C -0.987 176.106 177.300 -0.345 0.000 1.243 348 P CA -0.055 62.613 63.100 -0.720 0.000 0.768 348 P CB 0.970 31.684 31.700 -1.644 0.000 0.856 349 V N 2.465 122.325 119.914 -0.090 0.000 2.808 349 V HA 0.690 4.810 4.120 -0.000 0.000 0.308 349 V C -0.679 175.462 176.094 0.078 0.000 1.099 349 V CA -1.007 61.288 62.300 -0.007 0.000 0.920 349 V CB 2.379 34.203 31.823 0.003 0.000 1.014 349 V HN 0.522 nan 8.190 nan 0.000 0.425 350 I N 3.751 124.365 120.570 0.073 0.000 2.619 350 I HA 0.654 4.824 4.170 -0.000 0.000 0.292 350 I C -2.754 173.416 176.117 0.089 0.000 1.100 350 I CA -2.523 58.830 61.300 0.090 0.000 1.043 350 I CB 3.311 41.374 38.000 0.104 0.000 1.239 350 I HN 0.522 nan 8.210 nan 0.000 0.420 351 P HA 0.041 nan 4.420 nan 0.000 0.261 351 P C -1.326 176.088 177.300 0.190 0.000 1.173 351 P CA 0.504 63.676 63.100 0.119 0.000 0.760 351 P CB 0.314 32.046 31.700 0.053 0.000 0.783 352 T N 2.261 116.957 114.554 0.236 0.000 2.900 352 T HA 0.240 4.590 4.350 -0.000 0.000 0.295 352 T C -0.558 174.221 174.700 0.131 0.000 1.044 352 T CA -0.451 61.775 62.100 0.209 0.000 0.995 352 T CB 1.164 70.090 68.868 0.097 0.000 1.072 352 T HN 0.405 nan 8.240 nan 0.000 0.473 353 C N 2.745 121.986 119.300 -0.098 0.000 2.648 353 C HA 0.371 4.831 4.460 -0.000 0.000 0.419 353 C C 1.272 176.164 174.990 -0.163 0.000 1.352 353 C CA 0.758 59.389 59.018 -0.646 0.000 1.816 353 C CB -1.235 26.001 27.740 -0.840 0.000 2.598 353 C HN 1.139 nan 8.230 nan 0.000 0.598 354 H N 2.223 121.176 119.070 -0.196 0.000 1.955 354 H HA 0.285 4.841 4.556 -0.000 0.000 0.196 354 H C -0.967 174.446 175.328 0.142 0.000 0.891 354 H CA 0.477 56.545 56.048 0.032 0.000 1.001 354 H CB 0.169 30.002 29.762 0.118 0.000 1.195 354 H HN 0.725 nan 8.280 nan 0.000 0.384 355 Y N 1.276 121.560 120.300 -0.026 0.000 2.457 355 Y HA 0.362 4.912 4.550 -0.000 0.000 0.343 355 Y C -1.136 174.595 175.900 -0.280 0.000 0.994 355 Y CA -1.232 56.768 58.100 -0.167 0.000 1.031 355 Y CB 1.675 40.038 38.460 -0.162 0.000 1.246 355 Y HN 0.173 nan 8.280 nan 0.000 0.449 356 M N 7.667 126.704 119.600 -0.940 0.000 2.151 356 M HA 0.210 4.690 4.480 -0.000 0.000 0.349 356 M C -0.373 175.426 176.300 -0.834 0.000 1.284 356 M CA -0.255 54.293 55.300 -1.254 0.000 1.173 356 M CB 0.887 32.763 32.600 -1.206 0.000 1.469 356 M HN 1.079 nan 8.290 nan 0.000 0.439 357 M N 3.239 122.592 119.600 -0.411 0.000 2.159 357 M HA 0.067 4.546 4.480 -0.000 0.000 0.263 357 M C 1.282 177.512 176.300 -0.116 0.000 1.063 357 M CA 1.431 56.715 55.300 -0.026 0.000 1.110 357 M CB -0.319 32.310 32.600 0.048 0.000 1.374 357 M HN 0.788 nan 8.290 nan 0.000 0.411 358 G N -1.264 107.362 108.800 -0.289 0.000 2.525 358 G HA2 0.509 4.469 3.960 -0.000 0.000 0.276 358 G HA3 0.509 4.469 3.960 -0.000 0.000 0.276 358 G C 0.162 174.944 174.900 -0.196 0.000 1.388 358 G CA -0.135 44.847 45.100 -0.197 0.000 1.050 358 G HN 0.674 nan 8.290 nan 0.000 0.520 359 G N -1.962 106.758 108.800 -0.134 0.000 2.302 359 G HA2 0.164 4.124 3.960 -0.000 0.000 0.276 359 G HA3 0.164 4.124 3.960 -0.000 0.000 0.276 359 G C -0.816 174.038 174.900 -0.076 0.000 1.316 359 G CA -0.555 44.481 45.100 -0.107 0.000 0.988 359 G HN 0.762 nan 8.290 nan 0.000 0.479 360 I N 3.334 123.862 120.570 -0.070 0.000 2.471 360 I HA 0.277 4.447 4.170 -0.000 0.000 0.286 360 I C -1.571 174.490 176.117 -0.093 0.000 1.079 360 I CA -1.515 59.746 61.300 -0.065 0.000 1.398 360 I CB 1.366 39.334 38.000 -0.053 0.000 1.403 360 I HN 0.206 nan 8.210 nan 0.000 0.530 361 P HA 0.073 nan 4.420 nan 0.000 0.267 361 P C -0.574 176.642 177.300 -0.139 0.000 1.205 361 P CA -0.017 62.999 63.100 -0.139 0.000 0.765 361 P CB 0.608 32.230 31.700 -0.129 0.000 0.828 362 T N -0.027 114.428 114.554 -0.164 0.000 2.896 362 T HA 0.520 4.869 4.350 -0.000 0.000 0.297 362 T C -0.230 174.367 174.700 -0.171 0.000 1.108 362 T CA -1.067 60.938 62.100 -0.158 0.000 1.004 362 T CB 1.646 70.424 68.868 -0.149 0.000 1.159 362 T HN 0.107 nan 8.240 nan 0.000 0.499 363 K N 0.568 120.878 120.400 -0.149 0.000 2.107 363 K HA 0.476 4.796 4.320 -0.000 0.000 0.251 363 K C 1.399 177.900 176.600 -0.166 0.000 1.012 363 K CA -0.683 55.516 56.287 -0.147 0.000 0.920 363 K CB 0.662 33.086 32.500 -0.127 0.000 1.033 363 K HN 0.373 nan 8.250 nan 0.000 0.478 364 V N 1.023 120.829 119.914 -0.180 0.000 2.380 364 V HA -0.292 3.828 4.120 -0.000 0.000 0.251 364 V C 2.241 178.270 176.094 -0.108 0.000 1.063 364 V CA 2.446 64.648 62.300 -0.163 0.000 1.055 364 V CB -1.163 30.474 31.823 -0.310 0.000 0.657 364 V HN 1.062 nan 8.190 nan 0.000 0.455 365 T N -2.218 112.237 114.554 -0.164 0.000 2.897 365 T HA 0.032 4.381 4.350 -0.000 0.000 0.271 365 T C 1.670 176.445 174.700 0.124 0.000 1.084 365 T CA 1.463 63.526 62.100 -0.062 0.000 1.123 365 T CB -0.118 68.712 68.868 -0.063 0.000 0.865 365 T HN 1.073 nan 8.240 nan 0.000 0.496 366 G N 0.376 109.224 108.800 0.081 0.000 2.194 366 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.236 366 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.236 366 G C -0.063 174.946 174.900 0.181 0.000 0.987 366 G CA -0.045 45.149 45.100 0.156 0.000 0.635 366 G HN 0.675 nan 8.290 nan 0.000 0.520 367 Q N 0.854 120.683 119.800 0.048 0.000 2.315 367 Q HA 0.481 4.820 4.340 -0.000 0.000 0.289 367 Q C 0.720 176.564 176.000 -0.261 0.000 1.044 367 Q CA 0.518 56.122 55.803 -0.331 0.000 0.920 367 Q CB 0.800 29.367 28.738 -0.285 0.000 1.214 367 Q HN 0.827 nan 8.270 nan 0.000 0.392 368 A N 3.692 126.314 122.820 -0.330 0.000 2.316 368 A HA 0.555 4.875 4.320 -0.000 0.000 0.284 368 A C -0.669 176.809 177.584 -0.177 0.000 1.115 368 A CA -0.514 51.403 52.037 -0.199 0.000 0.812 368 A CB 0.514 19.419 19.000 -0.158 0.000 1.064 368 A HN 0.701 nan 8.150 nan 0.000 0.489 369 L N 1.106 122.248 121.223 -0.134 0.000 2.334 369 L HA 0.671 5.011 4.340 -0.000 0.000 0.273 369 L C 0.542 177.357 176.870 -0.091 0.000 1.013 369 L CA -0.386 54.386 54.840 -0.112 0.000 0.816 369 L CB 2.184 44.181 42.059 -0.104 0.000 1.278 369 L HN 0.831 nan 8.230 nan 0.000 0.431 370 T N 1.090 115.596 114.554 -0.080 0.000 2.831 370 T HA 0.724 5.074 4.350 -0.000 0.000 0.287 370 T C -1.174 173.491 174.700 -0.057 0.000 1.070 370 T CA -0.496 61.564 62.100 -0.067 0.000 1.010 370 T CB 1.880 70.708 68.868 -0.066 0.000 1.264 370 T HN 0.391 nan 8.240 nan 0.000 0.532 371 V N 2.124 122.006 119.914 -0.052 0.000 2.715 371 V HA 0.741 4.861 4.120 -0.000 0.000 0.310 371 V C 0.095 176.164 176.094 -0.042 0.000 1.054 371 V CA -1.195 61.080 62.300 -0.043 0.000 0.928 371 V CB 1.296 33.098 31.823 -0.035 0.000 1.007 371 V HN 1.016 nan 8.190 nan 0.000 0.437 372 N N 2.503 121.182 118.700 -0.035 0.000 2.322 372 N HA 0.115 4.854 4.740 -0.000 0.000 0.270 372 N C 0.993 176.485 175.510 -0.030 0.000 1.286 372 N CA 0.098 53.129 53.050 -0.032 0.000 0.948 372 N CB 0.059 38.529 38.487 -0.028 0.000 1.164 372 N HN 0.856 nan 8.380 nan 0.000 0.551 373 E N -0.332 119.852 120.200 -0.027 0.000 2.267 373 E HA -0.219 4.131 4.350 -0.000 0.000 0.197 373 E C 0.536 177.125 176.600 -0.019 0.000 0.998 373 E CA 1.224 57.610 56.400 -0.024 0.000 0.830 373 E CB -0.345 29.343 29.700 -0.021 0.000 0.751 373 E HN 0.644 nan 8.360 nan 0.000 0.491 374 K N -0.118 120.272 120.400 -0.017 0.000 2.426 374 K HA 0.125 4.445 4.320 -0.000 0.000 0.193 374 K C 1.159 177.752 176.600 -0.012 0.000 1.028 374 K CA 0.490 56.769 56.287 -0.013 0.000 1.047 374 K CB 0.525 33.018 32.500 -0.012 0.000 0.821 374 K HN 0.338 nan 8.250 nan 0.000 0.513 375 G N 1.736 110.526 108.800 -0.015 0.000 2.176 375 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.232 375 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.232 375 G C -0.316 174.577 174.900 -0.011 0.000 0.986 375 G CA -0.270 44.823 45.100 -0.012 0.000 0.643 375 G HN 0.343 nan 8.290 nan 0.000 0.522 376 E N 1.167 121.358 120.200 -0.014 0.000 2.373 376 E HA 0.381 4.731 4.350 -0.000 0.000 0.263 376 E C -0.596 175.991 176.600 -0.023 0.000 1.073 376 E CA -0.494 55.897 56.400 -0.015 0.000 0.894 376 E CB 0.575 30.266 29.700 -0.016 0.000 1.008 376 E HN 0.253 nan 8.360 nan 0.000 0.420 377 D N 1.567 121.952 120.400 -0.024 0.000 2.351 377 D HA 0.158 4.798 4.640 -0.000 0.000 0.251 377 D C -0.447 175.828 176.300 -0.042 0.000 1.137 377 D CA -0.071 53.907 54.000 -0.036 0.000 0.879 377 D CB 1.211 41.987 40.800 -0.039 0.000 1.181 377 D HN 0.163 nan 8.370 nan 0.000 0.448 378 V N 0.103 119.987 119.914 -0.050 0.000 2.823 378 V HA 0.530 4.650 4.120 -0.000 0.000 0.312 378 V C -0.371 175.678 176.094 -0.074 0.000 1.072 378 V CA -0.850 61.417 62.300 -0.055 0.000 0.937 378 V CB 1.944 33.739 31.823 -0.047 0.000 1.013 378 V HN 0.233 nan 8.190 nan 0.000 0.430 379 V N 4.726 124.590 119.914 -0.084 0.000 2.686 379 V HA 0.229 4.349 4.120 -0.000 0.000 0.295 379 V C 0.486 176.507 176.094 -0.121 0.000 1.055 379 V CA -0.254 61.974 62.300 -0.119 0.000 1.050 379 V CB 1.362 33.106 31.823 -0.131 0.000 0.984 379 V HN 0.776 nan 8.190 nan 0.000 0.482 380 V N 7.696 127.520 119.914 -0.151 0.000 2.387 380 V HA 0.180 4.300 4.120 -0.000 0.000 0.260 380 V C -2.060 173.932 176.094 -0.170 0.000 1.054 380 V CA -1.511 60.708 62.300 -0.136 0.000 0.967 380 V CB 0.559 32.306 31.823 -0.126 0.000 1.036 380 V HN 0.803 nan 8.190 nan 0.000 0.481 381 P HA 0.185 nan 4.420 nan 0.000 0.265 381 P C 1.093 178.352 177.300 -0.068 0.000 1.193 381 P CA 1.096 64.140 63.100 -0.094 0.000 0.765 381 P CB 0.652 32.329 31.700 -0.038 0.000 0.823 382 G N 1.229 110.007 108.800 -0.036 0.000 2.189 382 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.267 382 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.267 382 G C -0.249 174.726 174.900 0.124 0.000 0.975 382 G CA 0.140 45.312 45.100 0.120 0.000 0.644 382 G HN 0.587 nan 8.290 nan 0.000 0.537 383 L N 0.075 121.229 121.223 -0.115 0.000 2.329 383 L HA 0.927 5.266 4.340 -0.000 0.000 0.279 383 L C -0.659 176.020 176.870 -0.317 0.000 1.014 383 L CA -1.386 53.416 54.840 -0.063 0.000 0.814 383 L CB 1.139 43.155 42.059 -0.071 0.000 1.257 383 L HN 0.051 nan 8.230 nan 0.000 0.424 384 F N 2.969 122.906 119.950 -0.021 0.000 2.626 384 F HA 0.860 5.387 4.527 -0.000 0.000 0.311 384 F C -0.211 175.569 175.800 -0.033 0.000 1.088 384 F CA -0.543 57.442 58.000 -0.026 0.000 0.949 384 F CB 2.206 41.198 39.000 -0.014 0.000 1.322 384 F HN 0.604 nan 8.300 nan 0.000 0.461 385 A N 1.220 124.128 122.820 0.147 0.000 2.517 385 A HA 0.848 5.168 4.320 -0.000 0.000 0.297 385 A C -1.654 175.961 177.584 0.050 0.000 1.050 385 A CA -0.727 51.347 52.037 0.062 0.000 0.694 385 A CB 1.619 20.621 19.000 0.003 0.000 1.277 385 A HN 1.262 nan 8.150 nan 0.000 0.400 386 V N -0.536 119.406 119.914 0.046 0.000 3.049 386 V HA 1.010 5.130 4.120 -0.000 0.000 0.309 386 V C 0.415 176.545 176.094 0.060 0.000 1.148 386 V CA 0.238 62.578 62.300 0.065 0.000 0.990 386 V CB 0.907 32.792 31.823 0.104 0.000 1.039 386 V HN 2.964 nan 8.190 nan 0.000 0.430 387 G N 1.825 110.686 108.800 0.101 0.000 2.568 387 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.222 387 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.222 387 G C 0.507 175.453 174.900 0.076 0.000 1.321 387 G CA 0.768 45.933 45.100 0.109 0.000 0.893 387 G HN 1.361 nan 8.290 nan 0.000 0.569 388 E N -0.825 119.390 120.200 0.024 0.000 2.160 388 E HA -0.128 4.222 4.350 -0.000 0.000 0.195 388 E C 2.512 179.006 176.600 -0.177 0.000 0.991 388 E CA 1.465 57.781 56.400 -0.140 0.000 0.810 388 E CB -0.119 29.406 29.700 -0.292 0.000 0.742 388 E HN 0.473 nan 8.360 nan 0.000 0.466 389 I N 0.610 121.117 120.570 -0.105 0.000 2.916 389 I HA -0.035 4.135 4.170 -0.000 0.000 0.267 389 I C 0.413 176.482 176.117 -0.078 0.000 1.263 389 I CA 0.344 61.587 61.300 -0.096 0.000 1.471 389 I CB -0.354 37.609 38.000 -0.062 0.000 1.089 389 I HN 0.003 nan 8.210 nan 0.000 0.468 390 A N -0.388 122.397 122.820 -0.057 0.000 2.304 390 A HA 0.477 4.796 4.320 -0.000 0.000 0.301 390 A C -0.342 177.198 177.584 -0.074 0.000 1.132 390 A CA -0.431 51.565 52.037 -0.068 0.000 0.819 390 A CB 0.583 19.541 19.000 -0.070 0.000 1.094 390 A HN 0.358 nan 8.150 nan 0.000 0.492 391 C N 4.008 123.244 119.300 -0.107 0.000 2.317 391 C HA 0.466 4.926 4.460 -0.000 0.000 0.306 391 C C 1.396 176.274 174.990 -0.187 0.000 1.087 391 C CA -0.435 58.515 59.018 -0.113 0.000 1.529 391 C CB -1.367 26.302 27.740 -0.118 0.000 1.880 391 C HN 0.680 nan 8.230 nan 0.000 0.417 392 V N 3.659 123.436 119.914 -0.227 0.000 2.270 392 V HA -0.012 4.107 4.120 -0.000 0.000 0.245 392 V C 1.412 177.354 176.094 -0.254 0.000 1.043 392 V CA 1.727 63.827 62.300 -0.333 0.000 1.014 392 V CB -0.421 31.032 31.823 -0.617 0.000 0.645 392 V HN 0.814 nan 8.190 nan 0.000 0.447 393 S N -0.454 115.138 115.700 -0.181 0.000 2.478 393 S HA 0.413 4.883 4.470 -0.000 0.000 0.312 393 S C 0.237 174.775 174.600 -0.103 0.000 1.094 393 S CA -0.306 57.818 58.200 -0.125 0.000 1.081 393 S CB 1.786 64.974 63.200 -0.020 0.000 1.007 393 S HN 0.277 nan 8.310 nan 0.000 0.475 394 V N 3.105 122.864 119.914 -0.258 0.000 3.621 394 V HA 0.406 4.526 4.120 -0.000 0.000 0.285 394 V C 0.904 176.775 176.094 -0.371 0.000 1.346 394 V CA 0.302 62.428 62.300 -0.290 0.000 1.104 394 V CB -0.745 30.933 31.823 -0.242 0.000 0.913 394 V HN 0.919 nan 8.190 nan 0.000 0.432 395 H N 0.536 119.649 119.070 0.072 0.000 3.017 395 H HA 0.421 4.977 4.556 -0.000 0.000 0.255 395 H C 1.974 177.339 175.328 0.061 0.000 0.990 395 H CA 0.501 56.580 56.048 0.052 0.000 1.205 395 H CB 0.734 30.525 29.762 0.050 0.000 1.460 395 H HN 0.483 nan 8.280 nan 0.000 0.478 396 G N 1.663 110.569 108.800 0.177 0.000 2.698 396 G HA2 -0.443 3.517 3.960 -0.000 0.000 0.337 396 G HA3 -0.443 3.517 3.960 -0.000 0.000 0.337 396 G C 1.323 176.313 174.900 0.149 0.000 1.196 396 G CA 1.965 47.166 45.100 0.167 0.000 0.965 396 G HN 0.629 nan 8.290 nan 0.000 0.550 397 A N -0.029 122.861 122.820 0.117 0.000 2.343 397 A HA 0.596 4.915 4.320 -0.000 0.000 0.223 397 A C 0.698 178.348 177.584 0.110 0.000 1.214 397 A CA 1.550 53.656 52.037 0.115 0.000 0.900 397 A CB 0.140 19.208 19.000 0.114 0.000 0.942 397 A HN 1.535 nan 8.150 nan 0.000 0.507 398 N N -0.664 118.096 118.700 0.099 0.000 2.600 398 N HA 0.205 4.945 4.740 -0.000 0.000 0.272 398 N C -1.047 174.499 175.510 0.059 0.000 1.095 398 N CA -0.406 52.689 53.050 0.076 0.000 0.993 398 N CB 1.028 39.557 38.487 0.070 0.000 1.603 398 N HN 0.238 nan 8.380 nan 0.000 0.526 399 R N 3.887 124.382 120.500 -0.009 0.000 2.441 399 R HA 0.436 4.776 4.340 -0.000 0.000 0.284 399 R C -0.410 175.863 176.300 -0.045 0.000 1.070 399 R CA -0.413 55.636 56.100 -0.083 0.000 1.047 399 R CB 0.548 30.504 30.300 -0.573 0.000 1.016 399 R HN 0.551 nan 8.270 nan 0.000 0.477 400 L N 2.694 123.942 121.223 0.041 0.000 2.436 400 L HA 0.264 4.604 4.340 -0.000 0.000 0.265 400 L C 1.101 178.019 176.870 0.081 0.000 1.168 400 L CA -0.427 54.453 54.840 0.067 0.000 0.815 400 L CB 0.909 43.047 42.059 0.132 0.000 1.109 400 L HN 0.819 nan 8.230 nan 0.000 0.462 401 G N 0.324 109.229 108.800 0.175 0.000 2.340 401 G HA2 0.345 4.305 3.960 -0.000 0.000 0.245 401 G HA3 0.345 4.305 3.960 -0.000 0.000 0.245 401 G C 0.937 175.975 174.900 0.231 0.000 1.294 401 G CA 0.404 45.734 45.100 0.384 0.000 0.896 401 G HN 1.065 nan 8.290 nan 0.000 0.522 402 G N 2.181 111.023 108.800 0.069 0.000 2.179 402 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.260 402 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.260 402 G C 1.126 176.020 174.900 -0.010 0.000 0.977 402 G CA 0.626 45.657 45.100 -0.115 0.000 0.641 402 G HN 0.689 nan 8.290 nan 0.000 0.533 403 N N 0.214 118.952 118.700 0.063 0.000 2.424 403 N HA 0.160 4.900 4.740 -0.000 0.000 0.178 403 N C 2.119 177.738 175.510 0.182 0.000 1.060 403 N CA 1.273 54.419 53.050 0.160 0.000 0.901 403 N CB 0.022 38.657 38.487 0.246 0.000 0.979 403 N HN 0.390 nan 8.380 nan 0.000 0.451 404 S N 0.103 115.826 115.700 0.038 0.000 2.371 404 S HA 0.112 4.582 4.470 -0.000 0.000 0.224 404 S C 1.798 176.484 174.600 0.143 0.000 1.029 404 S CA 0.540 58.775 58.200 0.058 0.000 0.978 404 S CB -0.141 63.027 63.200 -0.053 0.000 0.833 404 S HN 0.213 nan 8.310 nan 0.000 0.466 405 L N 0.921 122.200 121.223 0.093 0.000 2.079 405 L HA -0.109 4.231 4.340 -0.000 0.000 0.210 405 L C 2.501 179.425 176.870 0.091 0.000 1.081 405 L CA 1.021 55.911 54.840 0.084 0.000 0.752 405 L CB -0.622 41.470 42.059 0.054 0.000 0.896 405 L HN 0.365 nan 8.230 nan 0.000 0.433 406 L N 0.554 121.834 121.223 0.094 0.000 1.994 406 L HA -0.270 4.070 4.340 -0.000 0.000 0.208 406 L C 2.239 179.166 176.870 0.095 0.000 1.071 406 L CA 2.155 57.041 54.840 0.077 0.000 0.745 406 L CB -0.646 41.471 42.059 0.096 0.000 0.892 406 L HN 0.256 nan 8.230 nan 0.000 0.431 407 D N -0.545 119.982 120.400 0.212 0.000 2.154 407 D HA -0.272 4.367 4.640 -0.000 0.000 0.190 407 D C 2.115 178.607 176.300 0.320 0.000 1.003 407 D CA 2.414 56.639 54.000 0.375 0.000 0.849 407 D CB -0.350 40.752 40.800 0.504 0.000 0.942 407 D HN 0.446 nan 8.370 nan 0.000 0.446 408 L N -0.277 121.080 121.223 0.223 0.000 1.956 408 L HA -0.213 4.127 4.340 -0.000 0.000 0.216 408 L C 2.841 179.782 176.870 0.119 0.000 1.073 408 L CA 1.370 56.308 54.840 0.165 0.000 0.762 408 L CB -0.978 41.150 42.059 0.115 0.000 0.889 408 L HN 0.035 nan 8.230 nan 0.000 0.433 409 V N -0.388 119.568 119.914 0.069 0.000 2.255 409 V HA -0.266 3.854 4.120 -0.000 0.000 0.247 409 V C 2.434 178.525 176.094 -0.006 0.000 1.051 409 V CA 1.855 64.170 62.300 0.026 0.000 1.018 409 V CB -0.460 31.368 31.823 0.009 0.000 0.641 409 V HN 0.231 nan 8.190 nan 0.000 0.445 410 V N -0.925 118.943 119.914 -0.077 0.000 2.307 410 V HA -0.200 3.920 4.120 -0.000 0.000 0.245 410 V C 2.145 178.130 176.094 -0.180 0.000 1.045 410 V CA 2.109 64.274 62.300 -0.226 0.000 1.024 410 V CB -0.723 30.824 31.823 -0.460 0.000 0.651 410 V HN 0.455 nan 8.190 nan 0.000 0.449 411 F N 1.093 121.121 119.950 0.131 0.000 2.335 411 F HA 0.216 4.742 4.527 -0.000 0.000 0.296 411 F C 2.378 178.231 175.800 0.087 0.000 1.091 411 F CA 0.803 58.876 58.000 0.122 0.000 1.399 411 F CB -1.303 37.754 39.000 0.094 0.000 1.067 411 F HN 0.153 nan 8.300 nan 0.000 0.520 412 G N 0.130 109.058 108.800 0.214 0.000 2.446 412 G HA2 -0.292 3.667 3.960 -0.000 0.000 0.217 412 G HA3 -0.292 3.667 3.960 -0.000 0.000 0.217 412 G C 1.849 176.802 174.900 0.088 0.000 1.168 412 G CA 0.866 46.039 45.100 0.122 0.000 0.771 412 G HN 0.256 nan 8.290 nan 0.000 0.551 413 R N 0.506 121.050 120.500 0.073 0.000 2.092 413 R HA 0.096 4.435 4.340 -0.000 0.000 0.231 413 R C 2.850 179.203 176.300 0.090 0.000 1.119 413 R CA 1.303 57.433 56.100 0.049 0.000 0.970 413 R CB -0.324 29.989 30.300 0.021 0.000 0.864 413 R HN 0.300 nan 8.270 nan 0.000 0.440 414 A N 0.868 123.785 122.820 0.161 0.000 1.898 414 A HA -0.076 4.244 4.320 -0.000 0.000 0.216 414 A C 2.360 180.090 177.584 0.245 0.000 1.181 414 A CA 1.536 53.730 52.037 0.261 0.000 0.620 414 A CB -0.766 18.426 19.000 0.319 0.000 0.819 414 A HN 0.504 nan 8.150 nan 0.000 0.442 415 A N -0.513 122.418 122.820 0.184 0.000 1.948 415 A HA 0.040 4.359 4.320 -0.000 0.000 0.220 415 A C 2.343 179.947 177.584 0.034 0.000 1.177 415 A CA 2.132 54.243 52.037 0.123 0.000 0.636 415 A CB -1.268 17.786 19.000 0.090 0.000 0.815 415 A HN 0.714 nan 8.150 nan 0.000 0.449 416 G N -0.590 108.220 108.800 0.017 0.000 2.395 416 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.214 416 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.214 416 G C 1.548 176.426 174.900 -0.038 0.000 1.177 416 G CA 0.769 45.849 45.100 -0.033 0.000 0.794 416 G HN 0.403 nan 8.290 nan 0.000 0.532 417 L N -0.116 121.087 121.223 -0.034 0.000 2.043 417 L HA -0.142 4.198 4.340 -0.000 0.000 0.212 417 L C 2.526 179.254 176.870 -0.238 0.000 1.075 417 L CA 1.198 55.952 54.840 -0.143 0.000 0.752 417 L CB -0.322 41.630 42.059 -0.177 0.000 0.891 417 L HN 0.291 nan 8.230 nan 0.000 0.432 418 H N -1.467 117.611 119.070 0.013 0.000 2.539 418 H HA 0.025 4.581 4.556 -0.000 0.000 0.269 418 H C 1.973 177.314 175.328 0.022 0.000 0.980 418 H CA 0.186 56.247 56.048 0.023 0.000 1.152 418 H CB 0.520 30.304 29.762 0.037 0.000 1.407 418 H HN 0.213 nan 8.280 nan 0.000 0.564 419 L N 1.132 122.381 121.223 0.043 0.000 2.043 419 L HA -0.222 4.118 4.340 -0.000 0.000 0.212 419 L C 2.505 179.381 176.870 0.009 0.000 1.075 419 L CA 1.645 56.461 54.840 -0.041 0.000 0.752 419 L CB -0.242 41.723 42.059 -0.157 0.000 0.891 419 L HN 0.175 nan 8.230 nan 0.000 0.432 420 Q N -0.949 118.854 119.800 0.005 0.000 2.084 420 Q HA -0.251 4.089 4.340 -0.000 0.000 0.202 420 Q C 2.166 178.194 176.000 0.046 0.000 0.978 420 Q CA 1.955 57.768 55.803 0.016 0.000 0.844 420 Q CB -0.051 28.686 28.738 -0.002 0.000 0.898 420 Q HN 0.596 nan 8.270 nan 0.000 0.426 421 E N -0.370 119.869 120.200 0.066 0.000 2.077 421 E HA -0.154 4.196 4.350 -0.000 0.000 0.193 421 E C 2.113 178.775 176.600 0.103 0.000 0.989 421 E CA 1.273 57.725 56.400 0.086 0.000 0.800 421 E CB 0.083 29.857 29.700 0.123 0.000 0.746 421 E HN 0.150 nan 8.360 nan 0.000 0.452 422 S N 0.499 116.287 115.700 0.147 0.000 2.368 422 S HA -0.125 4.345 4.470 -0.000 0.000 0.225 422 S C 1.972 176.685 174.600 0.189 0.000 1.030 422 S CA 0.776 59.097 58.200 0.203 0.000 0.999 422 S CB -0.115 63.317 63.200 0.388 0.000 0.844 422 S HN 0.218 nan 8.310 nan 0.000 0.459 423 I N 1.396 122.059 120.570 0.155 0.000 2.252 423 I HA -0.164 4.006 4.170 -0.000 0.000 0.245 423 I C 2.666 178.831 176.117 0.080 0.000 1.102 423 I CA 0.997 62.370 61.300 0.122 0.000 1.385 423 I CB -0.456 37.593 38.000 0.082 0.000 1.064 423 I HN 0.266 nan 8.210 nan 0.000 0.414 424 A N 0.285 123.144 122.820 0.064 0.000 1.933 424 A HA -0.267 4.053 4.320 -0.000 0.000 0.218 424 A C 2.292 179.902 177.584 0.042 0.000 1.175 424 A CA 1.918 53.982 52.037 0.045 0.000 0.628 424 A CB -0.596 18.427 19.000 0.038 0.000 0.814 424 A HN 0.529 nan 8.150 nan 0.000 0.444 425 E N 0.176 120.406 120.200 0.050 0.000 2.106 425 E HA -0.242 4.107 4.350 -0.000 0.000 0.192 425 E C 2.071 178.687 176.600 0.026 0.000 0.984 425 E CA 1.245 57.666 56.400 0.036 0.000 0.806 425 E CB -0.184 29.539 29.700 0.037 0.000 0.750 425 E HN 0.889 nan 8.360 nan 0.000 0.458 426 Q N -0.038 119.784 119.800 0.036 0.000 2.425 426 Q HA 0.159 4.499 4.340 -0.000 0.000 0.204 426 Q C 0.812 176.825 176.000 0.023 0.000 0.933 426 Q CA 0.470 56.286 55.803 0.022 0.000 0.939 426 Q CB 0.399 29.154 28.738 0.028 0.000 1.044 426 Q HN 0.200 nan 8.270 nan 0.000 0.513 427 G N 1.185 110.001 108.800 0.028 0.000 2.855 427 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.352 427 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.352 427 G C -0.233 174.684 174.900 0.028 0.000 1.415 427 G CA -0.416 44.698 45.100 0.024 0.000 0.871 427 G HN 0.789 nan 8.290 nan 0.000 0.543 428 A N -0.528 122.307 122.820 0.023 0.000 2.445 428 A HA 0.627 4.947 4.320 -0.000 0.000 0.242 428 A C 0.598 178.198 177.584 0.026 0.000 1.075 428 A CA 0.433 52.485 52.037 0.025 0.000 0.777 428 A CB 0.191 19.202 19.000 0.019 0.000 1.013 428 A HN 1.348 nan 8.150 nan 0.000 0.493 429 L N 1.693 122.935 121.223 0.032 0.000 2.346 429 L HA 0.498 4.838 4.340 -0.000 0.000 0.276 429 L C 0.739 177.629 176.870 0.033 0.000 1.006 429 L CA -0.667 54.193 54.840 0.033 0.000 0.817 429 L CB 1.569 43.655 42.059 0.046 0.000 1.272 429 L HN 0.862 nan 8.230 nan 0.000 0.421 430 R N 1.128 121.645 120.500 0.029 0.000 2.643 430 R HA 0.072 4.412 4.340 -0.000 0.000 0.270 430 R C -0.586 175.738 176.300 0.040 0.000 1.061 430 R CA -0.563 55.553 56.100 0.028 0.000 1.107 430 R CB 0.577 30.889 30.300 0.020 0.000 0.999 430 R HN 0.509 nan 8.270 nan 0.000 0.460 431 D N 1.417 121.842 120.400 0.042 0.000 2.423 431 D HA 0.042 4.682 4.640 -0.000 0.000 0.238 431 D C -0.419 175.920 176.300 0.065 0.000 1.142 431 D CA 0.468 54.505 54.000 0.061 0.000 0.884 431 D CB 0.912 41.742 40.800 0.051 0.000 1.199 431 D HN 0.586 nan 8.370 nan 0.000 0.438 432 A N 1.978 124.859 122.820 0.102 0.000 2.450 432 A HA 0.365 4.685 4.320 -0.000 0.000 0.255 432 A C 0.794 178.400 177.584 0.037 0.000 1.096 432 A CA -0.451 51.620 52.037 0.057 0.000 0.778 432 A CB 0.094 19.115 19.000 0.035 0.000 1.031 432 A HN 0.523 nan 8.150 nan 0.000 0.494 433 S N 1.432 117.135 115.700 0.006 0.000 2.617 433 S HA 0.137 4.607 4.470 -0.000 0.000 0.259 433 S C 0.927 175.517 174.600 -0.017 0.000 1.301 433 S CA 0.317 58.518 58.200 0.002 0.000 0.984 433 S CB 0.674 63.872 63.200 -0.003 0.000 0.954 433 S HN 0.785 nan 8.310 nan 0.000 0.572 434 E N 0.285 120.479 120.200 -0.010 0.000 2.150 434 E HA -0.129 4.221 4.350 -0.000 0.000 0.193 434 E C 2.026 178.606 176.600 -0.034 0.000 0.985 434 E CA 1.211 57.600 56.400 -0.018 0.000 0.814 434 E CB -0.212 29.487 29.700 -0.003 0.000 0.752 434 E HN 0.833 nan 8.360 nan 0.000 0.466 435 S N 0.695 116.378 115.700 -0.028 0.000 2.387 435 S HA -0.134 4.336 4.470 -0.000 0.000 0.226 435 S C 1.506 176.079 174.600 -0.045 0.000 1.026 435 S CA 0.966 59.148 58.200 -0.030 0.000 0.972 435 S CB -0.160 63.027 63.200 -0.021 0.000 0.814 435 S HN 0.178 nan 8.310 nan 0.000 0.477 436 D N 1.791 122.159 120.400 -0.054 0.000 2.104 436 D HA -0.068 4.572 4.640 -0.000 0.000 0.194 436 D C 2.127 178.356 176.300 -0.117 0.000 0.994 436 D CA 1.186 55.143 54.000 -0.072 0.000 0.830 436 D CB -0.482 40.278 40.800 -0.067 0.000 0.959 436 D HN 0.339 nan 8.370 nan 0.000 0.452 437 V N 0.821 120.636 119.914 -0.165 0.000 2.323 437 V HA -0.179 3.941 4.120 -0.000 0.000 0.244 437 V C 2.413 178.432 176.094 -0.125 0.000 1.041 437 V CA 1.338 63.492 62.300 -0.242 0.000 1.025 437 V CB -0.415 31.224 31.823 -0.306 0.000 0.656 437 V HN 0.039 nan 8.190 nan 0.000 0.451 438 E N 0.924 121.078 120.200 -0.077 0.000 2.147 438 E HA -0.262 4.088 4.350 -0.000 0.000 0.199 438 E C 2.135 178.717 176.600 -0.029 0.000 1.005 438 E CA 1.833 58.210 56.400 -0.038 0.000 0.810 438 E CB -0.577 29.107 29.700 -0.027 0.000 0.736 438 E HN 0.543 nan 8.360 nan 0.000 0.460 439 A N -0.401 122.396 122.820 -0.039 0.000 1.933 439 A HA -0.169 4.150 4.320 -0.000 0.000 0.218 439 A C 2.441 180.015 177.584 -0.018 0.000 1.175 439 A CA 1.866 53.886 52.037 -0.027 0.000 0.628 439 A CB -0.691 18.290 19.000 -0.033 0.000 0.814 439 A HN 0.266 nan 8.150 nan 0.000 0.444 440 S N -0.324 115.358 115.700 -0.030 0.000 2.399 440 S HA -0.064 4.406 4.470 -0.000 0.000 0.231 440 S C 1.582 176.196 174.600 0.023 0.000 1.022 440 S CA 1.350 59.545 58.200 -0.008 0.000 0.983 440 S CB -0.357 62.825 63.200 -0.030 0.000 0.803 440 S HN 0.536 nan 8.310 nan 0.000 0.480 441 L N 0.795 122.028 121.223 0.017 0.000 2.492 441 L HA 0.032 4.372 4.340 -0.000 0.000 0.223 441 L C 1.724 178.621 176.870 0.045 0.000 1.132 441 L CA 0.237 55.102 54.840 0.041 0.000 0.850 441 L CB -0.460 41.618 42.059 0.032 0.000 0.966 441 L HN 0.103 nan 8.230 nan 0.000 0.454 442 D N 0.795 121.211 120.400 0.028 0.000 2.116 442 D HA -0.240 4.400 4.640 -0.000 0.000 0.193 442 D C 2.182 178.507 176.300 0.042 0.000 0.998 442 D CA 1.277 55.290 54.000 0.023 0.000 0.836 442 D CB -0.011 40.792 40.800 0.006 0.000 0.951 442 D HN 0.170 nan 8.370 nan 0.000 0.449 443 R N 0.039 120.579 120.500 0.066 0.000 2.094 443 R HA -0.173 4.167 4.340 -0.000 0.000 0.239 443 R C 2.386 178.806 176.300 0.200 0.000 1.137 443 R CA 1.313 57.482 56.100 0.116 0.000 0.943 443 R CB -0.535 29.849 30.300 0.140 0.000 0.850 443 R HN 0.213 nan 8.270 nan 0.000 0.433 444 L N 1.304 122.636 121.223 0.182 0.000 2.046 444 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 444 L C 1.542 178.517 176.870 0.175 0.000 1.077 444 L CA 1.848 56.808 54.840 0.200 0.000 0.747 444 L CB -0.609 41.527 42.059 0.128 0.000 0.896 444 L HN 0.213 nan 8.230 nan 0.000 0.432 445 N N 0.149 118.912 118.700 0.105 0.000 2.149 445 N HA -0.242 4.498 4.740 -0.000 0.000 0.188 445 N C 1.979 177.523 175.510 0.057 0.000 1.019 445 N CA 1.470 54.562 53.050 0.069 0.000 0.857 445 N CB -0.501 38.008 38.487 0.037 0.000 0.997 445 N HN 0.436 nan 8.380 nan 0.000 0.426 446 R N -0.196 120.321 120.500 0.028 0.000 2.091 446 R HA -0.143 4.196 4.340 -0.000 0.000 0.238 446 R C 1.805 178.059 176.300 -0.075 0.000 1.136 446 R CA 1.418 57.475 56.100 -0.071 0.000 0.959 446 R CB -0.261 29.938 30.300 -0.169 0.000 0.856 446 R HN 0.303 nan 8.270 nan 0.000 0.437 447 W N 0.702 121.993 121.300 -0.015 0.000 2.436 447 W HA -0.001 4.659 4.660 -0.001 0.000 0.284 447 W C 1.878 178.385 176.519 -0.021 0.000 1.225 447 W CA 0.230 57.562 57.345 -0.021 0.000 1.271 447 W CB -0.150 29.293 29.460 -0.029 0.000 1.114 447 W HN 0.136 nan 8.180 nan 0.000 0.559 448 N N -0.008 118.816 118.700 0.207 0.000 2.512 448 N HA -0.094 4.646 4.740 -0.000 0.000 0.183 448 N C 0.932 176.484 175.510 0.070 0.000 1.073 448 N CA 0.870 53.990 53.050 0.116 0.000 0.911 448 N CB -0.317 38.218 38.487 0.081 0.000 0.964 448 N HN 0.306 nan 8.380 nan 0.000 0.447 449 N N 0.055 118.785 118.700 0.050 0.000 2.368 449 N HA -0.035 4.705 4.740 -0.000 0.000 0.178 449 N C 0.001 175.512 175.510 0.001 0.000 1.076 449 N CA 0.033 53.093 53.050 0.016 0.000 0.889 449 N CB 0.148 38.634 38.487 -0.001 0.000 1.040 449 N HN 0.095 nan 8.380 nan 0.000 0.463 450 N N 2.251 120.948 118.700 -0.005 0.000 2.555 450 N HA 0.076 4.816 4.740 -0.000 0.000 0.244 450 N C 0.584 176.102 175.510 0.014 0.000 1.114 450 N CA -0.003 53.028 53.050 -0.031 0.000 0.963 450 N CB 0.478 38.895 38.487 -0.117 0.000 1.276 450 N HN -0.009 nan 8.380 nan 0.000 0.510 451 R N 2.014 122.520 120.500 0.010 0.000 2.223 451 R HA 0.163 4.503 4.340 -0.000 0.000 0.198 451 R C 0.311 176.620 176.300 0.015 0.000 0.984 451 R CA 0.421 56.533 56.100 0.021 0.000 1.018 451 R CB 0.241 30.550 30.300 0.015 0.000 0.945 451 R HN 0.503 nan 8.270 nan 0.000 0.479 452 N N -0.194 118.507 118.700 0.001 0.000 2.184 452 N HA 0.068 4.808 4.740 -0.000 0.000 0.206 452 N C 0.845 176.350 175.510 -0.007 0.000 1.151 452 N CA 0.225 53.274 53.050 -0.002 0.000 0.878 452 N CB 0.904 39.387 38.487 -0.007 0.000 1.014 452 N HN 0.099 nan 8.380 nan 0.000 0.512 453 G N 0.469 109.258 108.800 -0.018 0.000 2.481 453 G HA2 0.059 4.019 3.960 -0.000 0.000 0.251 453 G HA3 0.059 4.019 3.960 -0.000 0.000 0.251 453 G C 0.110 175.004 174.900 -0.010 0.000 1.492 453 G CA -0.284 44.797 45.100 -0.032 0.000 1.060 453 G HN 0.066 nan 8.290 nan 0.000 0.553 454 E N 0.214 120.405 120.200 -0.015 0.000 2.343 454 E HA 0.106 4.456 4.350 -0.000 0.000 0.269 454 E C -0.815 175.811 176.600 0.044 0.000 1.047 454 E CA -0.403 56.002 56.400 0.009 0.000 0.874 454 E CB 1.216 30.917 29.700 0.001 0.000 1.033 454 E HN 0.372 nan 8.360 nan 0.000 0.409 455 D N 3.161 123.587 120.400 0.045 0.000 2.382 455 D HA -0.005 4.635 4.640 -0.000 0.000 0.259 455 D C -1.548 174.799 176.300 0.078 0.000 1.224 455 D CA -1.733 52.302 54.000 0.059 0.000 0.894 455 D CB 0.884 41.707 40.800 0.039 0.000 1.127 455 D HN 0.084 nan 8.370 nan 0.000 0.487 456 P HA -0.132 nan 4.420 nan 0.000 0.221 456 P C 1.586 178.929 177.300 0.072 0.000 1.150 456 P CA 0.298 63.481 63.100 0.138 0.000 0.800 456 P CB 0.248 32.063 31.700 0.191 0.000 0.787 457 V N 1.221 121.163 119.914 0.046 0.000 2.282 457 V HA -0.290 3.830 4.120 -0.000 0.000 0.249 457 V C 2.759 178.870 176.094 0.028 0.000 1.057 457 V CA 2.552 64.869 62.300 0.028 0.000 1.032 457 V CB -1.764 30.072 31.823 0.021 0.000 0.645 457 V HN 0.144 nan 8.190 nan 0.000 0.447 458 A N -0.529 122.309 122.820 0.029 0.000 1.929 458 A HA -0.091 4.229 4.320 -0.000 0.000 0.216 458 A C 2.171 179.769 177.584 0.022 0.000 1.176 458 A CA 1.571 53.622 52.037 0.023 0.000 0.628 458 A CB -0.494 18.518 19.000 0.021 0.000 0.816 458 A HN 0.519 nan 8.150 nan 0.000 0.444 459 I N -0.767 119.823 120.570 0.034 0.000 2.226 459 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 459 I C 2.707 178.841 176.117 0.028 0.000 1.100 459 I CA 1.749 63.071 61.300 0.036 0.000 1.374 459 I CB -0.349 37.687 38.000 0.060 0.000 1.057 459 I HN 0.416 nan 8.210 nan 0.000 0.413 460 R N 1.717 122.236 120.500 0.031 0.000 2.080 460 R HA -0.207 4.133 4.340 -0.000 0.000 0.236 460 R C 2.281 178.581 176.300 0.000 0.000 1.137 460 R CA 1.730 57.839 56.100 0.015 0.000 0.943 460 R CB -0.134 30.177 30.300 0.018 0.000 0.846 460 R HN 0.252 nan 8.270 nan 0.000 0.431 461 K N -0.034 120.370 120.400 0.005 0.000 2.103 461 K HA -0.128 4.192 4.320 -0.000 0.000 0.207 461 K C 2.140 178.727 176.600 -0.022 0.000 1.048 461 K CA 1.405 57.691 56.287 -0.002 0.000 0.930 461 K CB -0.179 32.325 32.500 0.008 0.000 0.716 461 K HN 0.296 nan 8.250 nan 0.000 0.444 462 A N 1.695 124.505 122.820 -0.018 0.000 1.902 462 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 462 A C 2.135 179.692 177.584 -0.046 0.000 1.181 462 A CA 1.211 53.230 52.037 -0.030 0.000 0.623 462 A CB -0.600 18.393 19.000 -0.011 0.000 0.818 462 A HN 0.303 nan 8.150 nan 0.000 0.443 463 L N -0.724 120.477 121.223 -0.037 0.000 1.976 463 L HA -0.259 4.081 4.340 -0.000 0.000 0.209 463 L C 2.789 179.600 176.870 -0.099 0.000 1.071 463 L CA 2.078 56.886 54.840 -0.055 0.000 0.746 463 L CB -0.464 41.569 42.059 -0.042 0.000 0.890 463 L HN 0.477 nan 8.230 nan 0.000 0.432 464 Q N -0.538 119.207 119.800 -0.092 0.000 2.135 464 Q HA -0.297 4.043 4.340 -0.000 0.000 0.204 464 Q C 2.078 178.021 176.000 -0.094 0.000 0.981 464 Q CA 2.049 57.787 55.803 -0.108 0.000 0.856 464 Q CB -0.215 28.495 28.738 -0.046 0.000 0.902 464 Q HN 0.593 nan 8.270 nan 0.000 0.425 465 E N 0.260 120.398 120.200 -0.105 0.000 2.051 465 E HA -0.242 4.108 4.350 -0.000 0.000 0.192 465 E C 2.149 178.578 176.600 -0.285 0.000 0.991 465 E CA 1.311 57.587 56.400 -0.206 0.000 0.799 465 E CB -0.203 29.355 29.700 -0.235 0.000 0.748 465 E HN 0.429 nan 8.360 nan 0.000 0.449 466 C N 0.770 119.964 119.300 -0.176 0.000 2.401 466 C HA -0.167 4.293 4.460 -0.000 0.000 0.276 466 C C 2.687 177.696 174.990 0.033 0.000 1.233 466 C CA 1.067 60.038 59.018 -0.079 0.000 1.753 466 C CB -0.852 26.880 27.740 -0.013 0.000 2.029 466 C HN 0.522 nan 8.230 nan 0.000 0.478 467 M N 0.065 119.643 119.600 -0.036 0.000 2.099 467 M HA -0.087 4.392 4.480 -0.000 0.000 0.262 467 M C 2.141 178.509 176.300 0.114 0.000 1.067 467 M CA 1.659 56.918 55.300 -0.069 0.000 1.124 467 M CB -1.880 30.305 32.600 -0.693 0.000 1.353 467 M HN 0.449 nan 8.290 nan 0.000 0.410 468 Q N 0.045 119.933 119.800 0.147 0.000 2.077 468 Q HA -0.173 4.167 4.340 -0.000 0.000 0.206 468 Q C 1.938 178.150 176.000 0.354 0.000 0.989 468 Q CA 1.989 58.007 55.803 0.358 0.000 0.853 468 Q CB -0.326 28.600 28.738 0.314 0.000 0.907 468 Q HN 0.666 nan 8.270 nan 0.000 0.418 469 H N -1.457 117.667 119.070 0.089 0.000 2.343 469 H HA 0.055 4.611 4.556 -0.000 0.000 0.303 469 H C 1.248 176.569 175.328 -0.012 0.000 1.068 469 H CA 0.915 56.986 56.048 0.040 0.000 1.359 469 H CB 0.330 30.105 29.762 0.021 0.000 1.402 469 H HN 0.297 nan 8.280 nan 0.000 0.515 470 N N 0.043 118.781 118.700 0.063 0.000 2.356 470 N HA -0.012 4.728 4.740 -0.000 0.000 0.178 470 N C -0.002 175.171 175.510 -0.561 0.000 1.075 470 N CA 0.538 53.418 53.050 -0.283 0.000 0.889 470 N CB 0.534 38.748 38.487 -0.456 0.000 0.999 470 N HN 0.207 nan 8.380 nan 0.000 0.464 471 F N 0.016 120.043 119.950 0.128 0.000 2.814 471 F HA 0.361 4.888 4.527 -0.000 0.000 0.326 471 F C 1.210 177.164 175.800 0.257 0.000 1.159 471 F CA -0.503 57.599 58.000 0.170 0.000 1.234 471 F CB 0.229 39.302 39.000 0.122 0.000 1.016 471 F HN -0.234 nan 8.300 nan 0.000 0.510 472 S N -0.191 115.638 115.700 0.215 0.000 2.423 472 S HA 0.137 4.607 4.470 -0.000 0.000 0.244 472 S C 1.898 176.232 174.600 -0.443 0.000 1.267 472 S CA 0.031 58.173 58.200 -0.096 0.000 0.988 472 S CB 0.336 63.475 63.200 -0.102 0.000 0.978 472 S HN -0.006 nan 8.310 nan 0.000 0.506 473 V N 0.438 119.856 119.914 -0.827 0.000 2.252 473 V HA -0.073 4.047 4.120 -0.000 0.000 0.249 473 V C 0.710 176.400 176.094 -0.674 0.000 1.056 473 V CA 1.555 63.373 62.300 -0.803 0.000 1.022 473 V CB -0.900 30.438 31.823 -0.808 0.000 0.641 473 V HN 0.538 nan 8.190 nan 0.000 0.445 474 F N -0.357 119.448 119.950 -0.242 0.000 2.458 474 F HA 0.738 5.265 4.527 -0.000 0.000 0.330 474 F C 0.403 176.066 175.800 -0.228 0.000 1.082 474 F CA -0.842 56.967 58.000 -0.318 0.000 0.995 474 F CB 1.276 40.101 39.000 -0.291 0.000 1.170 474 F HN -0.102 nan 8.300 nan 0.000 0.478 475 R N 1.066 121.505 120.500 -0.101 0.000 2.698 475 R HA 0.490 4.830 4.340 -0.000 0.000 0.275 475 R C -1.374 174.923 176.300 -0.006 0.000 1.001 475 R CA -1.118 54.957 56.100 -0.041 0.000 0.896 475 R CB 2.866 33.155 30.300 -0.018 0.000 1.218 475 R HN 0.743 nan 8.270 nan 0.000 0.462 476 E N 0.455 120.690 120.200 0.057 0.000 2.317 476 E HA 0.325 4.675 4.350 -0.000 0.000 0.270 476 E C 0.076 176.717 176.600 0.069 0.000 0.885 476 E CA -1.027 55.443 56.400 0.117 0.000 0.760 476 E CB 1.980 31.791 29.700 0.185 0.000 1.227 476 E HN 0.592 nan 8.360 nan 0.000 0.434 477 G N 2.449 111.317 108.800 0.113 0.000 2.469 477 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.220 477 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.220 477 G C 0.763 175.707 174.900 0.072 0.000 1.136 477 G CA 1.242 46.411 45.100 0.115 0.000 0.759 477 G HN 0.580 nan 8.290 nan 0.000 0.562 478 D N 1.017 121.452 120.400 0.058 0.000 2.087 478 D HA -0.051 4.589 4.640 -0.000 0.000 0.192 478 D C 2.852 179.157 176.300 0.008 0.000 0.993 478 D CA 1.536 55.557 54.000 0.035 0.000 0.828 478 D CB -0.677 40.140 40.800 0.028 0.000 0.968 478 D HN 0.301 nan 8.370 nan 0.000 0.448 479 A N 0.427 123.238 122.820 -0.016 0.000 1.969 479 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 479 A C 2.258 179.753 177.584 -0.150 0.000 1.169 479 A CA 1.223 53.221 52.037 -0.064 0.000 0.635 479 A CB -0.489 18.470 19.000 -0.069 0.000 0.810 479 A HN 0.160 nan 8.150 nan 0.000 0.445 480 M N -0.793 118.707 119.600 -0.166 0.000 2.200 480 M HA -0.086 4.394 4.480 -0.000 0.000 0.265 480 M C 2.542 178.848 176.300 0.011 0.000 1.066 480 M CA 1.273 56.436 55.300 -0.229 0.000 1.127 480 M CB -0.423 32.129 32.600 -0.079 0.000 1.379 480 M HN 0.485 nan 8.290 nan 0.000 0.420 481 A N 0.617 123.460 122.820 0.040 0.000 1.898 481 A HA -0.158 4.162 4.320 -0.000 0.000 0.216 481 A C 2.106 179.727 177.584 0.061 0.000 1.181 481 A CA 1.669 53.748 52.037 0.070 0.000 0.620 481 A CB -0.432 18.609 19.000 0.069 0.000 0.819 481 A HN 0.354 nan 8.150 nan 0.000 0.442 482 K N -0.606 119.815 120.400 0.035 0.000 2.097 482 K HA -0.049 4.271 4.320 -0.000 0.000 0.205 482 K C 2.063 178.692 176.600 0.048 0.000 1.050 482 K CA 1.083 57.391 56.287 0.036 0.000 0.938 482 K CB -0.440 32.072 32.500 0.020 0.000 0.718 482 K HN 0.458 nan 8.250 nan 0.000 0.442 483 G N 1.156 109.975 108.800 0.032 0.000 2.418 483 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.217 483 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.217 483 G C 1.374 176.393 174.900 0.199 0.000 1.158 483 G CA 0.670 45.830 45.100 0.100 0.000 0.771 483 G HN 0.198 nan 8.290 nan 0.000 0.545 484 L N 0.448 121.796 121.223 0.207 0.000 2.141 484 L HA 0.059 4.399 4.340 -0.000 0.000 0.209 484 L C 2.491 179.422 176.870 0.102 0.000 1.094 484 L CA 1.701 56.619 54.840 0.130 0.000 0.763 484 L CB -0.348 41.767 42.059 0.093 0.000 0.908 484 L HN 0.064 nan 8.230 nan 0.000 0.437 485 E N -0.208 120.048 120.200 0.094 0.000 2.072 485 E HA -0.224 4.126 4.350 -0.000 0.000 0.191 485 E C 2.207 178.856 176.600 0.082 0.000 0.985 485 E CA 1.343 57.793 56.400 0.084 0.000 0.801 485 E CB -0.272 29.468 29.700 0.066 0.000 0.750 485 E HN 0.655 nan 8.360 nan 0.000 0.452 486 Q N 0.062 119.908 119.800 0.076 0.000 2.119 486 Q HA -0.021 4.319 4.340 -0.000 0.000 0.201 486 Q C 2.388 178.433 176.000 0.075 0.000 0.972 486 Q CA 0.747 56.588 55.803 0.063 0.000 0.847 486 Q CB -0.061 28.707 28.738 0.051 0.000 0.903 486 Q HN 0.231 nan 8.270 nan 0.000 0.433 487 L N 0.518 121.802 121.223 0.102 0.000 2.093 487 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 487 L C 2.183 179.153 176.870 0.166 0.000 1.085 487 L CA 1.214 56.129 54.840 0.126 0.000 0.755 487 L CB -0.304 41.834 42.059 0.132 0.000 0.904 487 L HN 0.188 nan 8.230 nan 0.000 0.435 488 K N -0.467 120.045 120.400 0.186 0.000 2.103 488 K HA -0.150 4.169 4.320 -0.000 0.000 0.207 488 K C 1.998 178.644 176.600 0.077 0.000 1.048 488 K CA 1.172 57.555 56.287 0.160 0.000 0.930 488 K CB -0.170 32.426 32.500 0.160 0.000 0.716 488 K HN 0.139 nan 8.250 nan 0.000 0.444 489 V N 1.759 121.713 119.914 0.066 0.000 2.244 489 V HA -0.244 3.876 4.120 -0.000 0.000 0.244 489 V C 2.182 178.292 176.094 0.027 0.000 1.042 489 V CA 1.701 64.025 62.300 0.039 0.000 1.006 489 V CB -0.382 31.462 31.823 0.036 0.000 0.641 489 V HN 0.254 nan 8.190 nan 0.000 0.446 490 I N -0.266 120.325 120.570 0.035 0.000 2.286 490 I HA -0.240 3.930 4.170 -0.000 0.000 0.248 490 I C 2.712 178.839 176.117 0.016 0.000 1.115 490 I CA 1.579 62.894 61.300 0.025 0.000 1.392 490 I CB -0.473 37.544 38.000 0.027 0.000 1.065 490 I HN 0.211 nan 8.210 nan 0.000 0.418 491 R N 0.823 121.334 120.500 0.018 0.000 2.148 491 R HA -0.150 4.190 4.340 -0.000 0.000 0.227 491 R C 1.996 178.274 176.300 -0.035 0.000 1.103 491 R CA 1.108 57.199 56.100 -0.015 0.000 0.983 491 R CB 0.070 30.341 30.300 -0.048 0.000 0.874 491 R HN 0.282 nan 8.270 nan 0.000 0.451 492 E N 0.759 120.945 120.200 -0.022 0.000 2.047 492 E HA -0.137 4.213 4.350 -0.000 0.000 0.191 492 E C 2.050 178.625 176.600 -0.041 0.000 0.987 492 E CA 1.066 57.446 56.400 -0.032 0.000 0.799 492 E CB -0.156 29.534 29.700 -0.016 0.000 0.752 492 E HN 0.338 nan 8.360 nan 0.000 0.449 493 R N 0.319 120.803 120.500 -0.025 0.000 2.127 493 R HA -0.131 4.208 4.340 -0.000 0.000 0.238 493 R C 2.351 178.623 176.300 -0.048 0.000 1.134 493 R CA 0.914 56.997 56.100 -0.028 0.000 0.975 493 R CB -0.350 29.946 30.300 -0.006 0.000 0.865 493 R HN 0.078 nan 8.270 nan 0.000 0.447 494 L N 1.340 122.538 121.223 -0.043 0.000 2.156 494 L HA -0.067 4.273 4.340 -0.000 0.000 0.208 494 L C 1.492 178.260 176.870 -0.170 0.000 1.095 494 L CA 1.728 56.534 54.840 -0.056 0.000 0.770 494 L CB -0.115 41.951 42.059 0.012 0.000 0.914 494 L HN -0.084 nan 8.230 nan 0.000 0.439 495 K N -0.558 119.755 120.400 -0.146 0.000 2.360 495 K HA -0.124 4.196 4.320 -0.000 0.000 0.201 495 K C 0.767 177.229 176.600 -0.230 0.000 1.046 495 K CA 1.090 57.265 56.287 -0.186 0.000 0.945 495 K CB -0.122 32.303 32.500 -0.124 0.000 0.750 495 K HN 0.281 nan 8.250 nan 0.000 0.464 496 N N -0.041 118.538 118.700 -0.201 0.000 2.351 496 N HA 0.134 4.874 4.740 -0.000 0.000 0.254 496 N C -1.353 174.040 175.510 -0.196 0.000 1.241 496 N CA -0.255 52.685 53.050 -0.183 0.000 0.883 496 N CB 0.727 39.149 38.487 -0.109 0.000 1.202 496 N HN 0.038 nan 8.380 nan 0.000 0.512 497 A N 0.812 123.444 122.820 -0.314 0.000 2.304 497 A HA 0.591 4.911 4.320 -0.000 0.000 0.301 497 A C 0.181 177.627 177.584 -0.230 0.000 1.132 497 A CA -0.670 51.233 52.037 -0.224 0.000 0.819 497 A CB 0.410 19.337 19.000 -0.123 0.000 1.094 497 A HN 0.524 nan 8.150 nan 0.000 0.492 498 R N 1.586 122.116 120.500 0.049 0.000 2.407 498 R HA 0.618 4.957 4.340 -0.000 0.000 0.303 498 R C -1.151 175.345 176.300 0.327 0.000 0.981 498 R CA -0.685 55.489 56.100 0.124 0.000 0.905 498 R CB 0.880 31.221 30.300 0.069 0.000 1.099 498 R HN 0.469 nan 8.270 nan 0.000 0.459 499 L N 3.384 124.821 121.223 0.355 0.000 2.261 499 L HA 0.244 4.584 4.340 -0.000 0.000 0.289 499 L C -0.114 176.827 176.870 0.119 0.000 1.059 499 L CA 0.206 55.207 54.840 0.268 0.000 0.816 499 L CB 1.132 43.365 42.059 0.290 0.000 1.191 499 L HN 0.753 nan 8.230 nan 0.000 0.431 500 D N 1.465 121.907 120.400 0.070 0.000 2.305 500 D HA -0.015 4.624 4.640 -0.000 0.000 0.206 500 D C -0.231 176.080 176.300 0.019 0.000 0.974 500 D CA 0.696 54.720 54.000 0.040 0.000 0.871 500 D CB 0.321 41.139 40.800 0.031 0.000 0.947 500 D HN 0.605 nan 8.370 nan 0.000 0.516 501 D N -0.697 119.705 120.400 0.003 0.000 2.233 501 D HA 0.095 4.735 4.640 -0.000 0.000 0.240 501 D C 0.492 176.789 176.300 -0.005 0.000 1.074 501 D CA -0.005 53.991 54.000 -0.006 0.000 0.838 501 D CB 1.692 42.478 40.800 -0.023 0.000 1.124 501 D HN -0.224 nan 8.370 nan 0.000 0.475 502 T N 1.176 115.731 114.554 0.002 0.000 3.022 502 T HA 0.084 4.433 4.350 -0.000 0.000 0.250 502 T C 0.717 175.415 174.700 -0.003 0.000 1.060 502 T CA 0.277 62.380 62.100 0.005 0.000 1.013 502 T CB -0.081 68.795 68.868 0.013 0.000 0.982 502 T HN 0.483 nan 8.240 nan 0.000 0.508 503 S N 0.893 116.589 115.700 -0.006 0.000 2.587 503 S HA 0.180 4.650 4.470 -0.000 0.000 0.260 503 S C 1.364 175.955 174.600 -0.016 0.000 1.353 503 S CA 0.146 58.342 58.200 -0.005 0.000 0.995 503 S CB 1.015 64.216 63.200 0.002 0.000 0.912 503 S HN 0.424 nan 8.310 nan 0.000 0.568 504 S N -1.256 114.437 115.700 -0.011 0.000 2.575 504 S HA 0.206 4.676 4.470 -0.000 0.000 0.230 504 S C 0.316 174.908 174.600 -0.014 0.000 1.062 504 S CA -0.121 58.065 58.200 -0.023 0.000 0.913 504 S CB -0.523 62.667 63.200 -0.016 0.000 0.837 504 S HN 0.738 nan 8.310 nan 0.000 0.487 505 E N 1.855 122.066 120.200 0.019 0.000 1.858 505 E HA 0.337 4.686 4.350 -0.000 0.000 0.267 505 E C -0.802 175.886 176.600 0.146 0.000 1.215 505 E CA -0.466 55.972 56.400 0.062 0.000 0.952 505 E CB -1.295 28.437 29.700 0.054 0.000 1.058 505 E HN 0.303 nan 8.360 nan 0.000 0.407 506 F N 3.034 122.947 119.950 -0.062 0.000 2.905 506 F HA -0.274 4.252 4.527 -0.000 0.000 0.311 506 F C -0.446 175.313 175.800 -0.068 0.000 1.005 506 F CA 0.278 58.239 58.000 -0.065 0.000 1.029 506 F CB -0.573 38.397 39.000 -0.049 0.000 1.151 506 F HN 0.442 nan 8.300 nan 0.000 0.805 507 N N 1.586 120.228 118.700 -0.097 0.000 2.555 507 N HA 0.142 4.882 4.740 -0.000 0.000 0.244 507 N C 1.274 176.675 175.510 -0.181 0.000 1.114 507 N CA 0.543 53.538 53.050 -0.090 0.000 0.963 507 N CB 0.810 39.239 38.487 -0.097 0.000 1.276 507 N HN 0.427 nan 8.380 nan 0.000 0.510 508 T N 0.424 114.907 114.554 -0.118 0.000 2.962 508 T HA -0.179 4.171 4.350 -0.000 0.000 0.270 508 T C 1.458 176.050 174.700 -0.180 0.000 1.088 508 T CA 0.932 62.937 62.100 -0.159 0.000 1.127 508 T CB 0.062 68.907 68.868 -0.039 0.000 0.883 508 T HN 0.374 nan 8.240 nan 0.000 0.493 509 Q N 1.701 121.412 119.800 -0.149 0.000 2.079 509 Q HA 0.019 4.359 4.340 -0.000 0.000 0.200 509 Q C 2.448 178.290 176.000 -0.263 0.000 0.974 509 Q CA 1.468 57.170 55.803 -0.168 0.000 0.840 509 Q CB -0.398 28.275 28.738 -0.108 0.000 0.898 509 Q HN 0.630 nan 8.270 nan 0.000 0.430 510 R N -0.740 119.599 120.500 -0.268 0.000 2.081 510 R HA -0.118 4.222 4.340 -0.000 0.000 0.235 510 R C 1.981 177.983 176.300 -0.496 0.000 1.131 510 R CA 1.601 57.490 56.100 -0.351 0.000 0.960 510 R CB -0.302 29.847 30.300 -0.252 0.000 0.856 510 R HN 0.252 nan 8.270 nan 0.000 0.436 511 V N 1.481 121.104 119.914 -0.486 0.000 2.255 511 V HA -0.252 3.868 4.120 -0.000 0.000 0.247 511 V C 2.043 177.797 176.094 -0.568 0.000 1.051 511 V CA 2.211 64.112 62.300 -0.666 0.000 1.018 511 V CB -0.534 30.964 31.823 -0.542 0.000 0.641 511 V HN 0.444 nan 8.190 nan 0.000 0.445 512 E N -1.127 118.838 120.200 -0.392 0.000 2.265 512 E HA -0.194 4.155 4.350 -0.000 0.000 0.196 512 E C 2.182 178.566 176.600 -0.361 0.000 0.996 512 E CA 1.367 57.593 56.400 -0.291 0.000 0.832 512 E CB -0.239 29.342 29.700 -0.198 0.000 0.756 512 E HN 0.631 nan 8.360 nan 0.000 0.491 513 C N 0.233 119.187 119.300 -0.577 0.000 2.500 513 C HA -0.033 4.427 4.460 -0.000 0.000 0.279 513 C C 2.528 176.980 174.990 -0.896 0.000 1.288 513 C CA 0.207 58.641 59.018 -0.974 0.000 1.710 513 C CB -0.767 25.986 27.740 -1.646 0.000 2.052 513 C HN 0.397 nan 8.230 nan 0.000 0.488 514 L N 0.791 121.549 121.223 -0.774 0.000 2.079 514 L HA -0.196 4.144 4.340 -0.000 0.000 0.210 514 L C 2.576 179.390 176.870 -0.094 0.000 1.081 514 L CA 1.620 56.230 54.840 -0.382 0.000 0.752 514 L CB -0.739 41.097 42.059 -0.372 0.000 0.896 514 L HN 0.453 nan 8.230 nan 0.000 0.433 515 E N -0.117 119.997 120.200 -0.142 0.000 2.085 515 E HA -0.274 4.076 4.350 -0.000 0.000 0.194 515 E C 2.140 178.750 176.600 0.017 0.000 0.994 515 E CA 1.166 57.577 56.400 0.019 0.000 0.801 515 E CB -0.235 29.454 29.700 -0.018 0.000 0.743 515 E HN 0.246 nan 8.360 nan 0.000 0.453 516 L N 1.794 122.997 121.223 -0.035 0.000 2.081 516 L HA -0.219 4.121 4.340 -0.000 0.000 0.212 516 L C 1.519 178.450 176.870 0.102 0.000 1.080 516 L CA 1.854 56.714 54.840 0.033 0.000 0.754 516 L CB -0.374 41.712 42.059 0.044 0.000 0.893 516 L HN 0.010 nan 8.230 nan 0.000 0.433 517 D N -0.623 119.871 120.400 0.157 0.000 2.149 517 D HA -0.163 4.477 4.640 -0.000 0.000 0.198 517 D C 1.835 178.200 176.300 0.109 0.000 0.990 517 D CA 1.088 55.195 54.000 0.178 0.000 0.839 517 D CB -0.137 40.809 40.800 0.243 0.000 0.948 517 D HN 0.439 nan 8.370 nan 0.000 0.460 518 N N 0.219 118.977 118.700 0.098 0.000 2.207 518 N HA -0.006 4.734 4.740 -0.000 0.000 0.182 518 N C 2.157 177.700 175.510 0.056 0.000 1.020 518 N CA 0.141 53.236 53.050 0.077 0.000 0.858 518 N CB -0.346 38.191 38.487 0.084 0.000 0.991 518 N HN 0.212 nan 8.380 nan 0.000 0.427 519 L N 0.394 121.645 121.223 0.046 0.000 2.051 519 L HA -0.232 4.107 4.340 -0.000 0.000 0.214 519 L C 2.405 179.280 176.870 0.009 0.000 1.076 519 L CA 1.228 56.079 54.840 0.019 0.000 0.758 519 L CB -0.345 41.718 42.059 0.007 0.000 0.890 519 L HN 0.157 nan 8.230 nan 0.000 0.433 520 M N -0.178 119.440 119.600 0.030 0.000 2.059 520 M HA -0.192 4.287 4.480 -0.000 0.000 0.259 520 M C 2.213 178.534 176.300 0.036 0.000 1.072 520 M CA 1.811 57.128 55.300 0.028 0.000 1.117 520 M CB -0.445 32.176 32.600 0.035 0.000 1.320 520 M HN 0.080 nan 8.290 nan 0.000 0.408 521 E N -0.796 119.427 120.200 0.038 0.000 2.153 521 E HA -0.142 4.207 4.350 -0.000 0.000 0.194 521 E C 2.000 178.630 176.600 0.050 0.000 0.988 521 E CA 1.901 58.331 56.400 0.050 0.000 0.811 521 E CB -0.825 28.909 29.700 0.057 0.000 0.746 521 E HN 0.586 nan 8.360 nan 0.000 0.466 522 T N 1.319 115.897 114.554 0.040 0.000 2.770 522 T HA -0.035 4.315 4.350 -0.000 0.000 0.263 522 T C 2.057 176.754 174.700 -0.005 0.000 1.039 522 T CA 1.354 63.482 62.100 0.046 0.000 1.142 522 T CB -0.208 68.713 68.868 0.088 0.000 0.868 522 T HN 0.276 nan 8.240 nan 0.000 0.435 523 A N 0.497 123.280 122.820 -0.062 0.000 1.902 523 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 523 A C 2.108 179.570 177.584 -0.203 0.000 1.181 523 A CA 1.447 53.373 52.037 -0.184 0.000 0.623 523 A CB -1.023 17.867 19.000 -0.182 0.000 0.818 523 A HN 0.559 nan 8.150 nan 0.000 0.443 524 Y N 0.397 120.565 120.300 -0.220 0.000 2.114 524 Y HA -0.080 4.470 4.550 -0.000 0.000 0.284 524 Y C 2.749 178.415 175.900 -0.390 0.000 1.143 524 Y CA 1.445 59.397 58.100 -0.247 0.000 1.135 524 Y CB -0.504 37.860 38.460 -0.161 0.000 0.980 524 Y HN 0.312 nan 8.280 nan 0.000 0.499 525 A N -0.828 121.806 122.820 -0.309 0.000 1.908 525 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 525 A C 2.219 179.560 177.584 -0.405 0.000 1.181 525 A CA 2.381 54.036 52.037 -0.637 0.000 0.627 525 A CB -1.370 17.390 19.000 -0.400 0.000 0.818 525 A HN 0.518 nan 8.150 nan 0.000 0.445 526 T N 0.216 114.629 114.554 -0.235 0.000 2.708 526 T HA -0.046 4.304 4.350 -0.000 0.000 0.266 526 T C 2.244 176.708 174.700 -0.393 0.000 1.037 526 T CA 1.756 63.761 62.100 -0.158 0.000 1.146 526 T CB -0.486 68.377 68.868 -0.009 0.000 0.865 526 T HN 0.620 nan 8.240 nan 0.000 0.435 527 A N 0.917 123.338 122.820 -0.667 0.000 1.877 527 A HA -0.047 4.273 4.320 -0.000 0.000 0.216 527 A C 2.584 179.962 177.584 -0.343 0.000 1.186 527 A CA 1.409 52.944 52.037 -0.837 0.000 0.620 527 A CB -1.021 17.500 19.000 -0.799 0.000 0.822 527 A HN 0.354 nan 8.150 nan 0.000 0.443 528 V N -0.187 119.470 119.914 -0.429 0.000 2.407 528 V HA -0.204 3.916 4.120 -0.000 0.000 0.248 528 V C 2.756 178.810 176.094 -0.067 0.000 1.055 528 V CA 2.219 64.366 62.300 -0.254 0.000 1.049 528 V CB -0.731 30.895 31.823 -0.327 0.000 0.662 528 V HN 0.548 nan 8.190 nan 0.000 0.455 529 S N 0.210 115.847 115.700 -0.105 0.000 2.338 529 S HA -0.118 4.351 4.470 -0.000 0.000 0.218 529 S C 2.293 176.915 174.600 0.036 0.000 1.032 529 S CA 1.363 59.570 58.200 0.012 0.000 0.999 529 S CB -0.563 62.621 63.200 -0.026 0.000 0.905 529 S HN 0.631 nan 8.310 nan 0.000 0.439 530 A N 2.476 125.297 122.820 0.002 0.000 1.958 530 A HA -0.209 4.111 4.320 -0.000 0.000 0.221 530 A C 1.916 179.610 177.584 0.183 0.000 1.178 530 A CA 1.650 53.734 52.037 0.079 0.000 0.642 530 A CB -0.793 18.419 19.000 0.354 0.000 0.816 530 A HN 0.506 nan 8.150 nan 0.000 0.453 531 N N -1.537 117.280 118.700 0.195 0.000 2.188 531 N HA -0.132 4.608 4.740 -0.000 0.000 0.184 531 N C 1.561 177.144 175.510 0.121 0.000 1.018 531 N CA 1.578 54.730 53.050 0.169 0.000 0.858 531 N CB -0.313 38.276 38.487 0.169 0.000 0.989 531 N HN 0.560 nan 8.380 nan 0.000 0.426 532 F N 2.032 121.968 119.950 -0.023 0.000 2.146 532 F HA 0.001 4.528 4.527 -0.000 0.000 0.298 532 F C 1.246 176.911 175.800 -0.226 0.000 1.096 532 F CA 0.771 58.761 58.000 -0.016 0.000 1.275 532 F CB -0.137 38.902 39.000 0.065 0.000 1.008 532 F HN -0.220 nan 8.300 nan 0.000 0.480 533 R N 1.432 121.628 120.500 -0.506 0.000 2.309 533 R HA 0.095 4.435 4.340 -0.000 0.000 0.331 533 R C -0.427 175.281 176.300 -0.987 0.000 1.116 533 R CA 0.462 55.843 56.100 -1.198 0.000 0.970 533 R CB -0.314 29.561 30.300 -0.709 0.000 1.024 533 R HN 0.262 nan 8.270 nan 0.000 0.472 534 T N 1.617 115.301 114.554 -1.449 0.000 3.783 534 T HA 0.196 4.546 4.350 -0.000 0.000 0.262 534 T C -0.203 173.905 174.700 -0.988 0.000 1.381 534 T CA -0.581 60.735 62.100 -1.307 0.000 1.155 534 T CB -0.360 67.555 68.868 -1.589 0.000 1.256 534 T HN 0.764 nan 8.240 nan 0.000 0.807 535 E N -0.578 119.239 120.200 -0.639 0.000 2.425 535 E HA 0.636 4.986 4.350 -0.000 0.000 0.272 535 E C -1.467 175.046 176.600 -0.146 0.000 1.061 535 E CA -1.300 54.968 56.400 -0.219 0.000 0.877 535 E CB 0.689 30.295 29.700 -0.157 0.000 1.590 535 E HN -0.009 nan 8.360 nan 0.000 0.462 536 S N -0.072 115.602 115.700 -0.043 0.000 2.667 536 S HA 0.460 4.930 4.470 -0.000 0.000 0.304 536 S C -0.990 173.629 174.600 0.032 0.000 1.135 536 S CA -0.652 57.510 58.200 -0.064 0.000 1.125 536 S CB 0.557 63.730 63.200 -0.046 0.000 0.996 536 S HN 0.394 nan 8.310 nan 0.000 0.474 537 R N 1.860 122.408 120.500 0.080 0.000 2.513 537 R HA 0.593 4.933 4.340 -0.000 0.000 0.301 537 R C 1.024 177.403 176.300 0.132 0.000 0.968 537 R CA 0.336 56.508 56.100 0.119 0.000 0.872 537 R CB 1.067 31.450 30.300 0.139 0.000 1.177 537 R HN 0.815 nan 8.270 nan 0.000 0.444 538 G N 2.581 111.449 108.800 0.114 0.000 2.665 538 G HA2 -0.486 3.474 3.960 -0.000 0.000 0.326 538 G HA3 -0.486 3.474 3.960 -0.000 0.000 0.326 538 G C 0.818 175.777 174.900 0.098 0.000 1.231 538 G CA 0.737 45.903 45.100 0.110 0.000 0.992 538 G HN 0.763 nan 8.290 nan 0.000 0.549 539 A N -0.688 122.209 122.820 0.127 0.000 2.014 539 A HA 0.224 4.544 4.320 -0.000 0.000 0.218 539 A C 1.337 179.010 177.584 0.150 0.000 1.163 539 A CA 1.939 54.060 52.037 0.139 0.000 0.652 539 A CB -0.377 18.751 19.000 0.213 0.000 0.808 539 A HN 1.369 nan 8.150 nan 0.000 0.449 540 H N 0.529 119.636 119.070 0.062 0.000 2.944 540 H HA 0.510 5.066 4.556 -0.000 0.000 0.278 540 H C -0.767 174.554 175.328 -0.012 0.000 1.083 540 H CA -0.002 56.071 56.048 0.043 0.000 1.479 540 H CB 0.181 29.968 29.762 0.041 0.000 1.486 540 H HN 0.050 nan 8.280 nan 0.000 0.493 541 S N 5.913 121.440 115.700 -0.288 0.000 2.745 541 S HA 0.421 4.891 4.470 -0.000 0.000 0.283 541 S C -0.588 173.799 174.600 -0.355 0.000 1.170 541 S CA -0.812 57.215 58.200 -0.289 0.000 1.119 541 S CB 0.033 63.090 63.200 -0.237 0.000 1.035 541 S HN 0.705 nan 8.310 nan 0.000 0.483 542 R N 2.646 122.935 120.500 -0.352 0.000 2.368 542 R HA 0.392 4.732 4.340 -0.000 0.000 0.302 542 R C 0.116 176.319 176.300 -0.161 0.000 1.002 542 R CA -0.497 55.464 56.100 -0.232 0.000 0.929 542 R CB 0.591 30.832 30.300 -0.099 0.000 1.073 542 R HN 0.510 nan 8.270 nan 0.000 0.464 543 F N 1.275 121.248 119.950 0.039 0.000 2.163 543 F HA -0.144 4.383 4.527 -0.000 0.000 0.297 543 F C 2.148 177.932 175.800 -0.027 0.000 1.094 543 F CA 1.248 59.245 58.000 -0.005 0.000 1.290 543 F CB -0.148 38.824 39.000 -0.046 0.000 1.017 543 F HN 0.590 nan 8.300 nan 0.000 0.483 544 D N -1.146 119.353 120.400 0.164 0.000 2.363 544 D HA -0.152 4.488 4.640 -0.000 0.000 0.220 544 D C 0.002 176.117 176.300 -0.308 0.000 0.994 544 D CA 0.669 54.649 54.000 -0.033 0.000 0.890 544 D CB -0.603 40.200 40.800 0.004 0.000 0.906 544 D HN 0.278 nan 8.370 nan 0.000 0.530 545 F N 0.075 120.027 119.950 0.003 0.000 2.766 545 F HA 0.257 4.784 4.527 -0.000 0.000 0.355 545 F C -1.925 173.858 175.800 -0.029 0.000 1.434 545 F CA -1.611 56.380 58.000 -0.016 0.000 1.139 545 F CB 1.956 40.923 39.000 -0.054 0.000 1.816 545 F HN -0.218 nan 8.300 nan 0.000 0.600 546 P HA -0.028 nan 4.420 nan 0.000 0.233 546 P C -0.190 177.158 177.300 0.080 0.000 1.167 546 P CA 0.855 64.003 63.100 0.079 0.000 0.770 546 P CB 0.372 32.127 31.700 0.091 0.000 0.837 547 D N 0.752 121.211 120.400 0.099 0.000 2.256 547 D HA 0.132 4.772 4.640 -0.000 0.000 0.250 547 D C 0.343 176.706 176.300 0.105 0.000 1.093 547 D CA -0.309 53.749 54.000 0.097 0.000 0.882 547 D CB 1.013 41.871 40.800 0.097 0.000 1.185 547 D HN -0.083 nan 8.370 nan 0.000 0.437 548 R N 1.643 122.200 120.500 0.095 0.000 2.421 548 R HA -0.008 4.331 4.340 -0.000 0.000 0.305 548 R C -0.501 175.874 176.300 0.126 0.000 1.039 548 R CA -0.119 56.044 56.100 0.106 0.000 1.003 548 R CB 0.318 30.678 30.300 0.100 0.000 0.959 548 R HN 0.223 nan 8.270 nan 0.000 0.427 549 D N 3.481 123.986 120.400 0.176 0.000 2.518 549 D HA 0.080 4.719 4.640 -0.000 0.000 0.230 549 D C -0.299 176.116 176.300 0.192 0.000 1.138 549 D CA -0.389 53.741 54.000 0.216 0.000 0.964 549 D CB 0.832 41.845 40.800 0.355 0.000 1.011 549 D HN 0.451 nan 8.370 nan 0.000 0.517 550 D N 1.406 121.872 120.400 0.110 0.000 2.348 550 D HA -0.055 4.585 4.640 -0.000 0.000 0.216 550 D C 1.272 177.592 176.300 0.035 0.000 0.970 550 D CA 0.616 54.658 54.000 0.070 0.000 0.889 550 D CB 0.437 41.252 40.800 0.025 0.000 0.912 550 D HN 0.554 nan 8.370 nan 0.000 0.524 551 E N -0.561 119.658 120.200 0.030 0.000 2.400 551 E HA 0.077 4.427 4.350 -0.000 0.000 0.195 551 E C 0.998 177.551 176.600 -0.079 0.000 1.012 551 E CA 0.226 56.618 56.400 -0.013 0.000 0.875 551 E CB 0.399 30.099 29.700 0.000 0.000 0.859 551 E HN 0.242 nan 8.360 nan 0.000 0.498 552 N N -1.437 117.190 118.700 -0.121 0.000 2.266 552 N HA 0.030 4.770 4.740 -0.000 0.000 0.217 552 N C 0.209 175.297 175.510 -0.703 0.000 1.211 552 N CA 0.189 52.984 53.050 -0.426 0.000 0.881 552 N CB 0.454 38.643 38.487 -0.496 0.000 1.153 552 N HN 0.119 nan 8.380 nan 0.000 0.489 553 W N 1.065 122.351 121.300 -0.024 0.000 2.407 553 W HA 0.405 5.065 4.660 -0.000 0.000 0.370 553 W C 0.031 176.546 176.519 -0.007 0.000 0.928 553 W CA -0.399 56.931 57.345 -0.024 0.000 2.005 553 W CB 0.263 29.703 29.460 -0.033 0.000 1.171 553 W HN -0.150 nan 8.180 nan 0.000 0.572 554 L N 3.361 124.646 121.223 0.103 0.000 2.437 554 L HA 0.332 4.672 4.340 -0.000 0.000 0.243 554 L C 0.243 177.122 176.870 0.015 0.000 1.346 554 L CA -0.353 54.525 54.840 0.064 0.000 1.233 554 L CB -1.294 40.787 42.059 0.037 0.000 1.436 554 L HN 0.181 nan 8.230 nan 0.000 0.416 555 C N -1.243 118.072 119.300 0.025 0.000 3.295 555 C HA 0.522 4.982 4.460 -0.000 0.000 0.341 555 C C -0.291 174.677 174.990 -0.037 0.000 1.418 555 C CA -1.155 57.855 59.018 -0.014 0.000 1.240 555 C CB 1.516 29.286 27.740 0.050 0.000 1.562 555 C HN 0.448 nan 8.230 nan 0.000 0.457 556 H N 1.198 120.351 119.070 0.138 0.000 2.481 556 H HA 0.586 5.142 4.556 -0.000 0.000 0.339 556 H C 0.384 175.832 175.328 0.200 0.000 1.131 556 H CA 0.581 56.714 56.048 0.141 0.000 1.301 556 H CB 1.871 31.685 29.762 0.086 0.000 1.476 556 H HN 0.931 nan 8.280 nan 0.000 0.529 557 S N 2.342 118.251 115.700 0.349 0.000 2.554 557 S HA 0.452 4.922 4.470 -0.000 0.000 0.278 557 S C -0.316 174.413 174.600 0.214 0.000 1.242 557 S CA -0.865 57.551 58.200 0.359 0.000 1.051 557 S CB 1.316 64.758 63.200 0.404 0.000 0.986 557 S HN 0.374 nan 8.310 nan 0.000 0.502 558 L N 2.933 124.241 121.223 0.143 0.000 2.406 558 L HA 0.497 4.837 4.340 -0.000 0.000 0.272 558 L C -1.431 175.462 176.870 0.038 0.000 0.980 558 L CA -0.781 54.102 54.840 0.072 0.000 0.831 558 L CB 1.712 43.794 42.059 0.038 0.000 1.253 558 L HN 0.854 nan 8.230 nan 0.000 0.406 559 Y N 5.579 125.846 120.300 -0.055 0.000 2.350 559 Y HA 0.571 5.121 4.550 -0.000 0.000 0.340 559 Y C -1.039 174.833 175.900 -0.046 0.000 1.006 559 Y CA -0.631 57.431 58.100 -0.064 0.000 1.166 559 Y CB 0.724 39.167 38.460 -0.028 0.000 1.168 559 Y HN 0.505 nan 8.280 nan 0.000 0.502 560 L N 9.973 130.909 121.223 -0.478 0.000 2.255 560 L HA 0.333 4.673 4.340 -0.000 0.000 0.289 560 L C -1.753 174.716 176.870 -0.668 0.000 1.046 560 L CA -1.797 52.783 54.840 -0.434 0.000 0.816 560 L CB 1.193 43.100 42.059 -0.254 0.000 1.197 560 L HN 0.563 nan 8.230 nan 0.000 0.427 561 P HA -0.081 nan 4.420 nan 0.000 0.219 561 P C 1.047 178.200 177.300 -0.245 0.000 1.150 561 P CA 0.899 63.733 63.100 -0.444 0.000 0.814 561 P CB 0.503 32.103 31.700 -0.166 0.000 0.787 562 E N -0.053 120.037 120.200 -0.184 0.000 2.028 562 E HA -0.104 4.246 4.350 -0.000 0.000 0.191 562 E C 1.841 178.381 176.600 -0.100 0.000 0.988 562 E CA 1.842 58.174 56.400 -0.113 0.000 0.799 562 E CB -0.338 29.309 29.700 -0.088 0.000 0.755 562 E HN 0.268 nan 8.360 nan 0.000 0.447 563 S N -0.290 115.338 115.700 -0.120 0.000 2.575 563 S HA 0.087 4.557 4.470 -0.000 0.000 0.215 563 S C 0.242 174.801 174.600 -0.067 0.000 0.966 563 S CA 0.026 58.179 58.200 -0.078 0.000 0.911 563 S CB 0.064 63.223 63.200 -0.069 0.000 0.780 563 S HN 0.219 nan 8.310 nan 0.000 0.514 564 E N 1.259 121.379 120.200 -0.133 0.000 2.539 564 E HA -0.205 4.145 4.350 -0.000 0.000 0.253 564 E C 0.196 176.826 176.600 0.049 0.000 1.145 564 E CA 0.614 56.993 56.400 -0.034 0.000 0.738 564 E CB -1.935 27.879 29.700 0.190 0.000 1.308 564 E HN 0.854 nan 8.360 nan 0.000 0.409 565 S N -1.334 114.311 115.700 -0.091 0.000 2.748 565 S HA 0.774 5.244 4.470 -0.000 0.000 0.299 565 S C 0.248 174.764 174.600 -0.139 0.000 1.119 565 S CA -1.101 57.062 58.200 -0.063 0.000 0.997 565 S CB 1.794 64.952 63.200 -0.071 0.000 1.223 565 S HN 0.082 nan 8.310 nan 0.000 0.541 566 M N 0.409 119.836 119.600 -0.288 0.000 2.821 566 M HA 0.723 5.203 4.480 -0.000 0.000 0.304 566 M C -0.105 175.916 176.300 -0.464 0.000 1.233 566 M CA -0.350 54.618 55.300 -0.553 0.000 0.851 566 M CB 1.419 33.184 32.600 -1.391 0.000 1.723 566 M HN 0.988 nan 8.290 nan 0.000 0.493 567 T N -0.186 114.142 114.554 -0.376 0.000 2.686 567 T HA 0.503 4.852 4.350 -0.000 0.000 0.308 567 T C -1.637 173.120 174.700 0.095 0.000 1.667 567 T CA -0.724 61.331 62.100 -0.074 0.000 0.987 567 T CB 1.738 70.578 68.868 -0.047 0.000 1.652 567 T HN 0.679 nan 8.240 nan 0.000 0.496 568 R N 0.864 121.453 120.500 0.149 0.000 2.787 568 R HA 0.795 5.134 4.340 -0.000 0.000 0.271 568 R C -0.452 175.920 176.300 0.121 0.000 0.993 568 R CA -0.991 55.218 56.100 0.182 0.000 0.993 568 R CB 1.724 32.112 30.300 0.147 0.000 1.155 568 R HN 0.414 nan 8.270 nan 0.000 0.486 569 R N 0.122 120.717 120.500 0.159 0.000 2.686 569 R HA 0.326 4.666 4.340 -0.000 0.000 0.283 569 R C -0.689 175.715 176.300 0.174 0.000 0.978 569 R CA -0.624 55.562 56.100 0.142 0.000 0.897 569 R CB 2.489 32.868 30.300 0.131 0.000 1.192 569 R HN 0.608 nan 8.270 nan 0.000 0.457 570 S N 1.025 116.797 115.700 0.121 0.000 2.563 570 S HA 0.033 4.503 4.470 -0.000 0.000 0.284 570 S C 0.294 174.987 174.600 0.154 0.000 1.331 570 S CA -0.452 57.806 58.200 0.096 0.000 1.047 570 S CB 0.685 63.924 63.200 0.066 0.000 0.859 570 S HN 0.235 nan 8.310 nan 0.000 0.514 571 V N 3.529 123.468 119.914 0.042 0.000 2.732 571 V HA 0.189 4.309 4.120 -0.000 0.000 0.297 571 V C 0.670 176.816 176.094 0.087 0.000 1.060 571 V CA -0.717 61.599 62.300 0.026 0.000 1.038 571 V CB 1.171 32.942 31.823 -0.087 0.000 1.003 571 V HN 0.827 nan 8.190 nan 0.000 0.481 572 N N 4.432 123.205 118.700 0.121 0.000 2.426 572 N HA 0.354 5.094 4.740 -0.000 0.000 0.257 572 N C -0.465 175.103 175.510 0.097 0.000 1.002 572 N CA -0.267 52.840 53.050 0.095 0.000 0.942 572 N CB 1.126 39.665 38.487 0.087 0.000 1.112 572 N HN 0.656 nan 8.380 nan 0.000 0.499 573 M N 2.683 122.333 119.600 0.083 0.000 2.963 573 M HA 0.210 4.690 4.480 -0.000 0.000 0.350 573 M C -0.820 175.525 176.300 0.076 0.000 1.253 573 M CA -0.083 55.273 55.300 0.093 0.000 0.856 573 M CB 0.449 33.104 32.600 0.091 0.000 1.356 573 M HN 0.308 nan 8.290 nan 0.000 0.510 574 E N 1.499 121.743 120.200 0.074 0.000 2.873 574 E HA 0.291 4.640 4.350 -0.000 0.000 0.232 574 E C -2.462 174.185 176.600 0.078 0.000 1.123 574 E CA -1.653 54.784 56.400 0.062 0.000 0.809 574 E CB 1.339 31.066 29.700 0.045 0.000 1.366 574 E HN 0.102 nan 8.360 nan 0.000 0.400 575 P HA 0.027 nan 4.420 nan 0.000 0.270 575 P C 0.376 177.738 177.300 0.103 0.000 1.223 575 P CA -0.374 62.801 63.100 0.126 0.000 0.785 575 P CB 1.011 32.809 31.700 0.164 0.000 0.923 576 K N 1.035 121.504 120.400 0.115 0.000 2.323 576 K HA 0.193 4.512 4.320 -0.000 0.000 0.197 576 K C 1.369 178.031 176.600 0.103 0.000 1.043 576 K CA 0.887 57.228 56.287 0.090 0.000 0.997 576 K CB -0.057 32.489 32.500 0.078 0.000 0.807 576 K HN 0.416 nan 8.250 nan 0.000 0.497 577 L N 0.562 121.880 121.223 0.158 0.000 2.731 577 L HA 0.228 4.568 4.340 -0.000 0.000 0.240 577 L C 0.592 177.578 176.870 0.194 0.000 1.120 577 L CA -0.232 54.725 54.840 0.196 0.000 0.913 577 L CB 0.306 42.534 42.059 0.281 0.000 1.213 577 L HN 0.048 nan 8.230 nan 0.000 0.515 578 R N -0.865 119.725 120.500 0.150 0.000 2.734 578 R HA 0.579 4.919 4.340 -0.000 0.000 0.271 578 R C -3.132 173.155 176.300 -0.022 0.000 1.021 578 R CA -1.576 54.551 56.100 0.045 0.000 0.893 578 R CB 0.663 30.974 30.300 0.018 0.000 1.244 578 R HN -0.341 nan 8.270 nan 0.000 0.464 579 P HA 0.173 nan 4.420 nan 0.000 0.274 579 P C -0.649 176.518 177.300 -0.222 0.000 1.237 579 P CA -0.343 62.679 63.100 -0.129 0.000 0.793 579 P CB 0.737 32.347 31.700 -0.150 0.000 0.977 580 A N 1.399 124.143 122.820 -0.127 0.000 2.386 580 A HA 0.354 4.674 4.320 -0.000 0.000 0.246 580 A C -0.458 177.013 177.584 -0.189 0.000 1.089 580 A CA -0.075 51.915 52.037 -0.079 0.000 0.790 580 A CB -0.522 18.505 19.000 0.045 0.000 1.042 580 A HN 0.407 nan 8.150 nan 0.000 0.497 581 F N 1.729 121.767 119.950 0.145 0.000 2.411 581 F HA 0.381 4.908 4.527 -0.000 0.000 0.355 581 F C -1.584 174.325 175.800 0.181 0.000 1.117 581 F CA -1.843 56.269 58.000 0.187 0.000 1.139 581 F CB 1.005 40.167 39.000 0.271 0.000 1.120 581 F HN 0.339 nan 8.300 nan 0.000 0.493 582 P HA 0.232 nan 4.420 nan 0.000 0.274 582 P C -2.753 174.482 177.300 -0.107 0.000 1.237 582 P CA -1.844 61.299 63.100 0.072 0.000 0.793 582 P CB 0.167 31.876 31.700 0.015 0.000 0.977 583 P HA 0.183 nan 4.420 nan 0.000 0.271 583 P C -0.193 176.719 177.300 -0.647 0.000 1.220 583 P CA 0.237 62.751 63.100 -0.976 0.000 0.768 583 P CB 0.358 31.775 31.700 -0.472 0.000 0.848 584 K N 1.847 121.791 120.400 -0.760 0.000 2.469 584 K HA 0.539 4.859 4.320 -0.000 0.000 0.268 584 K C -0.942 175.564 176.600 -0.158 0.000 1.027 584 K CA -1.115 55.011 56.287 -0.270 0.000 0.893 584 K CB 0.723 33.164 32.500 -0.099 0.000 1.460 584 K HN -0.005 nan 8.250 nan 0.000 0.449 585 I N 1.859 122.400 120.570 -0.049 0.000 2.598 585 I HA 0.101 4.271 4.170 -0.000 0.000 0.284 585 I C 0.557 176.692 176.117 0.030 0.000 1.140 585 I CA 0.246 61.548 61.300 0.003 0.000 1.420 585 I CB 0.391 38.397 38.000 0.009 0.000 1.387 585 I HN 0.484 nan 8.210 nan 0.000 0.553 586 R N 5.882 126.414 120.500 0.052 0.000 2.233 586 R HA 0.467 4.807 4.340 -0.000 0.000 0.334 586 R C -0.832 175.422 176.300 -0.076 0.000 1.037 586 R CA -0.272 55.827 56.100 -0.003 0.000 0.920 586 R CB 0.457 30.795 30.300 0.064 0.000 1.137 586 R HN 0.836 nan 8.270 nan 0.000 0.492 587 T N 0.570 115.040 114.554 -0.141 0.000 2.893 587 T HA 0.424 4.774 4.350 -0.000 0.000 0.291 587 T C -0.699 173.875 174.700 -0.211 0.000 1.028 587 T CA -0.622 61.423 62.100 -0.092 0.000 0.995 587 T CB 1.233 70.105 68.868 0.007 0.000 1.051 587 T HN 0.367 nan 8.240 nan 0.000 0.470 588 Y N 0.000 120.337 120.300 0.062 0.000 2.660 588 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 588 Y CA 0.000 58.130 58.100 0.051 0.000 1.940 588 Y CB 0.000 38.484 38.460 0.040 0.000 1.050 588 Y HN 0.000 nan 8.280 nan 0.000 0.758