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 2wdq_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 0.000 176.314 176.300 0.023 0.000 1.140 1 M CA 0.000 55.314 55.300 0.023 0.000 0.988 1 M CB 0.000 32.627 32.600 0.044 0.000 1.302 2 K N 1.534 121.946 120.400 0.019 0.000 2.397 2 K HA 0.386 4.706 4.320 -0.000 0.000 0.202 2 K C -0.762 175.857 176.600 0.030 0.000 1.022 2 K CA 0.042 56.342 56.287 0.021 0.000 1.141 2 K CB 0.530 33.039 32.500 0.015 0.000 0.857 2 K HN 0.584 nan 8.250 nan 0.000 0.514 3 L N 1.145 122.393 121.223 0.042 0.000 2.381 3 L HA 0.449 4.789 4.340 -0.000 0.000 0.268 3 L C -2.547 174.359 176.870 0.060 0.000 0.997 3 L CA -2.102 52.773 54.840 0.058 0.000 0.818 3 L CB 1.882 43.984 42.059 0.072 0.000 1.310 3 L HN -0.112 nan 8.230 nan 0.000 0.416 4 P HA 0.171 nan 4.420 nan 0.000 0.267 4 P C -1.330 175.958 177.300 -0.020 0.000 1.200 4 P CA -0.125 62.983 63.100 0.014 0.000 0.772 4 P CB 0.613 32.323 31.700 0.017 0.000 0.855 5 V N 4.658 124.532 119.914 -0.067 0.000 2.448 5 V HA 0.416 4.536 4.120 -0.000 0.000 0.295 5 V C 0.299 176.230 176.094 -0.271 0.000 1.025 5 V CA -0.555 61.655 62.300 -0.152 0.000 0.859 5 V CB 1.598 33.379 31.823 -0.070 0.000 0.988 5 V HN 0.435 nan 8.190 nan 0.000 0.431 6 R N 3.083 123.314 120.500 -0.448 0.000 2.360 6 R HA 0.497 4.837 4.340 -0.000 0.000 0.318 6 R C -0.590 175.490 176.300 -0.368 0.000 0.950 6 R CA -0.529 55.314 56.100 -0.429 0.000 0.837 6 R CB 2.351 32.307 30.300 -0.573 0.000 1.165 6 R HN 0.790 nan 8.270 nan 0.000 0.458 7 E N 3.575 123.500 120.200 -0.459 0.000 2.191 7 E HA 0.434 4.784 4.350 -0.000 0.000 0.278 7 E C -1.270 174.915 176.600 -0.691 0.000 0.972 7 E CA -0.450 55.712 56.400 -0.397 0.000 0.804 7 E CB 0.843 30.371 29.700 -0.287 0.000 1.110 7 E HN 0.296 nan 8.360 nan 0.000 0.394 8 F N 1.576 121.482 119.950 -0.074 0.000 2.645 8 F HA 0.194 4.721 4.527 0.000 0.000 0.310 8 F C 0.772 176.546 175.800 -0.044 0.000 1.102 8 F CA -0.828 57.148 58.000 -0.040 0.000 0.952 8 F CB 1.693 40.678 39.000 -0.024 0.000 1.326 8 F HN 0.426 nan 8.300 nan 0.000 0.456 9 D N 0.940 121.428 120.400 0.147 0.000 2.097 9 D HA 0.027 4.667 4.640 -0.000 0.000 0.195 9 D C 0.487 176.817 176.300 0.050 0.000 0.989 9 D CA 1.418 55.458 54.000 0.067 0.000 0.827 9 D CB 0.036 40.856 40.800 0.034 0.000 0.966 9 D HN 0.407 nan 8.370 nan 0.000 0.456 10 A N 0.191 123.042 122.820 0.052 0.000 2.386 10 A HA 0.567 4.887 4.320 -0.000 0.000 0.311 10 A C -0.873 176.672 177.584 -0.066 0.000 1.068 10 A CA -0.532 51.482 52.037 -0.039 0.000 0.743 10 A CB 2.202 21.137 19.000 -0.108 0.000 1.258 10 A HN -0.072 nan 8.150 nan 0.000 0.429 11 V N 2.642 122.497 119.914 -0.099 0.000 2.444 11 V HA 0.400 4.520 4.120 -0.000 0.000 0.294 11 V C -0.524 175.462 176.094 -0.181 0.000 1.022 11 V CA -0.490 61.693 62.300 -0.195 0.000 0.850 11 V CB 1.549 33.274 31.823 -0.163 0.000 0.992 11 V HN 0.655 nan 8.190 nan 0.000 0.426 12 V N 6.701 126.485 119.914 -0.217 0.000 2.347 12 V HA 0.462 4.582 4.120 -0.000 0.000 0.280 12 V C -0.008 175.978 176.094 -0.180 0.000 1.021 12 V CA -0.323 61.880 62.300 -0.160 0.000 0.847 12 V CB 1.580 33.321 31.823 -0.136 0.000 0.990 12 V HN 0.687 nan 8.190 nan 0.000 0.444 13 I N 5.085 125.571 120.570 -0.140 0.000 2.310 13 I HA 0.702 4.872 4.170 -0.000 0.000 0.287 13 I C 0.697 176.749 176.117 -0.109 0.000 1.073 13 I CA 0.008 61.216 61.300 -0.152 0.000 1.216 13 I CB 0.919 38.834 38.000 -0.141 0.000 1.415 13 I HN 0.848 nan 8.210 nan 0.000 0.480 14 G N 4.336 113.073 108.800 -0.105 0.000 2.931 14 G HA2 0.223 4.183 3.960 -0.000 0.000 0.675 14 G HA3 0.223 4.183 3.960 -0.000 0.000 0.675 14 G C -0.583 174.277 174.900 -0.066 0.000 1.339 14 G CA -0.322 44.735 45.100 -0.072 0.000 0.866 14 G HN 0.755 nan 8.290 nan 0.000 0.616 15 A N 1.261 124.043 122.820 -0.063 0.000 2.749 15 A HA 0.799 5.119 4.320 -0.000 0.000 0.299 15 A C 1.292 178.834 177.584 -0.069 0.000 1.105 15 A CA 1.079 53.072 52.037 -0.073 0.000 0.987 15 A CB -0.137 18.802 19.000 -0.101 0.000 1.180 15 A HN 2.117 nan 8.150 nan 0.000 0.528 16 G N -0.643 108.133 108.800 -0.039 0.000 2.486 16 G HA2 0.379 4.339 3.960 -0.000 0.000 0.272 16 G HA3 0.379 4.339 3.960 -0.000 0.000 0.272 16 G C 1.192 176.080 174.900 -0.020 0.000 1.426 16 G CA 0.165 45.251 45.100 -0.024 0.000 1.058 16 G HN 0.593 nan 8.290 nan 0.000 0.531 17 G N -0.249 108.549 108.800 -0.003 0.000 2.446 17 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.217 17 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.217 17 G C 1.998 176.910 174.900 0.020 0.000 1.168 17 G CA 1.987 47.090 45.100 0.005 0.000 0.771 17 G HN 0.920 nan 8.290 nan 0.000 0.551 18 A N 0.810 123.654 122.820 0.040 0.000 1.858 18 A HA 0.173 4.492 4.320 -0.000 0.000 0.216 18 A C 2.747 180.347 177.584 0.026 0.000 1.190 18 A CA 2.151 54.222 52.037 0.056 0.000 0.617 18 A CB -1.154 17.895 19.000 0.081 0.000 0.827 18 A HN 0.574 nan 8.150 nan 0.000 0.443 19 G N -1.096 107.706 108.800 0.003 0.000 2.422 19 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.218 19 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.218 19 G C 1.619 176.499 174.900 -0.033 0.000 1.146 19 G CA 1.088 46.175 45.100 -0.023 0.000 0.769 19 G HN 0.430 nan 8.290 nan 0.000 0.547 20 M N -0.534 119.049 119.600 -0.029 0.000 2.254 20 M HA 0.058 4.538 4.480 -0.000 0.000 0.265 20 M C 2.588 178.871 176.300 -0.028 0.000 1.066 20 M CA 0.937 56.217 55.300 -0.033 0.000 1.123 20 M CB -0.034 32.548 32.600 -0.030 0.000 1.388 20 M HN 0.170 nan 8.290 nan 0.000 0.425 21 R N 0.841 121.333 120.500 -0.013 0.000 2.073 21 R HA 0.039 4.379 4.340 -0.000 0.000 0.229 21 R C 2.005 178.298 176.300 -0.011 0.000 1.120 21 R CA 1.786 57.882 56.100 -0.008 0.000 0.967 21 R CB -0.662 29.645 30.300 0.010 0.000 0.862 21 R HN 0.279 nan 8.270 nan 0.000 0.436 22 A N 0.544 123.360 122.820 -0.007 0.000 1.858 22 A HA -0.068 4.252 4.320 -0.000 0.000 0.216 22 A C 2.402 179.960 177.584 -0.043 0.000 1.190 22 A CA 1.937 53.964 52.037 -0.018 0.000 0.617 22 A CB -1.305 17.685 19.000 -0.016 0.000 0.827 22 A HN 0.469 nan 8.150 nan 0.000 0.443 23 A N -0.656 122.133 122.820 -0.053 0.000 1.917 23 A HA -0.129 4.191 4.320 -0.000 0.000 0.219 23 A C 2.164 179.716 177.584 -0.054 0.000 1.182 23 A CA 1.932 53.930 52.037 -0.065 0.000 0.633 23 A CB -0.709 18.247 19.000 -0.074 0.000 0.819 23 A HN 0.695 nan 8.150 nan 0.000 0.448 24 L N -0.720 120.474 121.223 -0.049 0.000 2.046 24 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 24 L C 2.521 179.368 176.870 -0.038 0.000 1.077 24 L CA 2.705 57.517 54.840 -0.046 0.000 0.747 24 L CB -0.635 41.397 42.059 -0.046 0.000 0.896 24 L HN 0.510 nan 8.230 nan 0.000 0.432 25 Q N -0.342 119.437 119.800 -0.035 0.000 2.083 25 Q HA -0.122 4.218 4.340 -0.000 0.000 0.198 25 Q C 2.125 178.101 176.000 -0.040 0.000 0.969 25 Q CA 1.965 57.748 55.803 -0.034 0.000 0.838 25 Q CB -0.340 28.382 28.738 -0.026 0.000 0.900 25 Q HN 0.624 nan 8.270 nan 0.000 0.436 26 I N -0.239 120.302 120.570 -0.049 0.000 2.208 26 I HA -0.304 3.866 4.170 -0.000 0.000 0.245 26 I C 2.417 178.511 176.117 -0.039 0.000 1.097 26 I CA 1.454 62.720 61.300 -0.057 0.000 1.363 26 I CB -0.439 37.515 38.000 -0.077 0.000 1.051 26 I HN 0.214 nan 8.210 nan 0.000 0.413 27 S N -0.041 115.639 115.700 -0.033 0.000 2.368 27 S HA -0.205 4.265 4.470 -0.000 0.000 0.224 27 S C 1.959 176.551 174.600 -0.014 0.000 1.029 27 S CA 1.352 59.542 58.200 -0.016 0.000 0.988 27 S CB -0.109 63.080 63.200 -0.018 0.000 0.838 27 S HN 0.444 nan 8.310 nan 0.000 0.462 28 Q N 0.252 120.039 119.800 -0.021 0.000 2.436 28 Q HA 0.126 4.466 4.340 -0.000 0.000 0.209 28 Q C 1.609 177.597 176.000 -0.020 0.000 0.965 28 Q CA 0.811 56.603 55.803 -0.019 0.000 0.910 28 Q CB 0.047 28.772 28.738 -0.022 0.000 0.980 28 Q HN 0.398 nan 8.270 nan 0.000 0.491 29 S N -0.799 114.886 115.700 -0.026 0.000 2.603 29 S HA 0.120 4.590 4.470 -0.000 0.000 0.220 29 S C 1.161 175.750 174.600 -0.019 0.000 0.967 29 S CA 0.575 58.759 58.200 -0.028 0.000 0.920 29 S CB 0.452 63.629 63.200 -0.039 0.000 0.773 29 S HN 0.651 nan 8.310 nan 0.000 0.529 30 G N 1.012 109.806 108.800 -0.012 0.000 2.175 30 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.244 30 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.244 30 G C -0.148 174.752 174.900 0.001 0.000 0.982 30 G CA -0.325 44.773 45.100 -0.004 0.000 0.641 30 G HN 0.504 nan 8.290 nan 0.000 0.527 31 Q N 1.183 120.982 119.800 -0.002 0.000 2.230 31 Q HA 0.555 4.895 4.340 -0.000 0.000 0.248 31 Q C 0.865 176.885 176.000 0.034 0.000 0.915 31 Q CA 0.161 55.969 55.803 0.008 0.000 0.900 31 Q CB 1.206 29.939 28.738 -0.008 0.000 1.229 31 Q HN 0.469 nan 8.270 nan 0.000 0.439 32 T N -1.758 112.837 114.554 0.067 0.000 2.918 32 T HA 0.322 4.672 4.350 -0.000 0.000 0.302 32 T C -0.238 174.565 174.700 0.171 0.000 1.045 32 T CA -0.672 61.516 62.100 0.147 0.000 1.114 32 T CB 0.748 69.734 68.868 0.196 0.000 0.965 32 T HN 0.669 nan 8.240 nan 0.000 0.540 33 C N 2.778 122.174 119.300 0.160 0.000 2.752 33 C HA 0.748 5.208 4.460 -0.000 0.000 0.360 33 C C -0.322 174.528 174.990 -0.234 0.000 1.081 33 C CA -0.295 58.708 59.018 -0.025 0.000 1.272 33 C CB 0.096 27.807 27.740 -0.048 0.000 1.754 33 C HN 1.322 nan 8.230 nan 0.000 0.483 34 A N 5.156 127.631 122.820 -0.574 0.000 2.288 34 A HA 0.713 5.033 4.320 -0.000 0.000 0.320 34 A C -0.985 176.359 177.584 -0.400 0.000 1.217 34 A CA -0.418 51.186 52.037 -0.722 0.000 0.840 34 A CB 0.829 18.915 19.000 -1.523 0.000 1.179 34 A HN 1.141 nan 8.150 nan 0.000 0.504 35 L N 3.856 124.955 121.223 -0.207 0.000 2.262 35 L HA 0.570 4.910 4.340 -0.000 0.000 0.288 35 L C -1.129 175.656 176.870 -0.142 0.000 1.035 35 L CA -0.325 54.415 54.840 -0.166 0.000 0.820 35 L CB 0.599 42.594 42.059 -0.107 0.000 1.204 35 L HN 0.563 nan 8.230 nan 0.000 0.424 36 L N 4.106 125.187 121.223 -0.236 0.000 2.334 36 L HA 0.702 5.042 4.340 -0.000 0.000 0.277 36 L C 0.165 176.980 176.870 -0.092 0.000 1.075 36 L CA 0.305 55.020 54.840 -0.210 0.000 0.804 36 L CB 1.643 43.473 42.059 -0.382 0.000 1.174 36 L HN 0.709 nan 8.230 nan 0.000 0.438 37 S N 0.748 116.456 115.700 0.013 0.000 2.543 37 S HA 0.373 4.843 4.470 -0.000 0.000 0.271 37 S C 0.280 174.937 174.600 0.096 0.000 1.148 37 S CA -0.713 57.497 58.200 0.017 0.000 0.914 37 S CB 1.054 64.240 63.200 -0.023 0.000 1.096 37 S HN 0.718 nan 8.310 nan 0.000 0.471 38 K N 1.847 122.292 120.400 0.075 0.000 2.400 38 K HA 0.220 4.539 4.320 -0.000 0.000 0.194 38 K C 0.624 177.305 176.600 0.135 0.000 1.033 38 K CA 0.489 56.854 56.287 0.130 0.000 1.021 38 K CB -0.192 32.409 32.500 0.168 0.000 0.808 38 K HN 0.429 nan 8.250 nan 0.000 0.505 39 V N -1.909 118.075 119.914 0.118 0.000 3.046 39 V HA 0.460 4.580 4.120 -0.000 0.000 0.316 39 V C -0.242 175.940 176.094 0.147 0.000 1.104 39 V CA -1.520 60.870 62.300 0.150 0.000 1.006 39 V CB 1.053 32.955 31.823 0.131 0.000 1.058 39 V HN 0.111 nan 8.190 nan 0.000 0.440 40 F N 3.860 123.836 119.950 0.044 0.000 2.629 40 F HA 0.292 4.819 4.527 -0.000 0.000 0.377 40 F C -1.566 174.170 175.800 -0.107 0.000 1.101 40 F CA -0.903 57.083 58.000 -0.023 0.000 1.301 40 F CB 0.925 39.901 39.000 -0.041 0.000 1.062 40 F HN 0.445 nan 8.300 nan 0.000 0.583 41 P HA -0.193 nan 4.420 nan 0.000 0.216 41 P C 1.331 178.324 177.300 -0.511 0.000 1.150 41 P CA 2.525 65.264 63.100 -0.602 0.000 0.843 41 P CB -0.231 31.086 31.700 -0.639 0.000 0.787 42 T N -3.527 110.624 114.554 -0.672 0.000 3.215 42 T HA 0.044 4.394 4.350 -0.000 0.000 0.254 42 T C 1.238 175.852 174.700 -0.143 0.000 1.149 42 T CA 0.200 62.029 62.100 -0.451 0.000 1.042 42 T CB -0.595 67.905 68.868 -0.614 0.000 0.966 42 T HN 0.057 nan 8.240 nan 0.000 0.534 43 R N 1.025 121.509 120.500 -0.026 0.000 2.362 43 R HA 0.305 4.645 4.340 -0.000 0.000 0.227 43 R C 0.425 176.756 176.300 0.052 0.000 0.905 43 R CA -0.111 56.027 56.100 0.064 0.000 1.067 43 R CB -0.086 30.291 30.300 0.128 0.000 1.078 43 R HN 0.329 nan 8.270 nan 0.000 0.516 44 S N 1.182 116.882 115.700 -0.001 0.000 2.566 44 S HA -0.064 4.405 4.470 -0.000 0.000 0.280 44 S C 1.134 175.780 174.600 0.078 0.000 1.343 44 S CA -0.181 58.038 58.200 0.031 0.000 1.036 44 S CB 0.683 63.874 63.200 -0.015 0.000 0.866 44 S HN 0.395 nan 8.310 nan 0.000 0.526 45 H N 2.209 121.289 119.070 0.017 0.000 2.457 45 H HA -0.097 4.459 4.556 -0.000 0.000 0.297 45 H C 1.857 177.206 175.328 0.034 0.000 1.092 45 H CA 2.303 58.368 56.048 0.028 0.000 1.309 45 H CB -0.548 29.226 29.762 0.020 0.000 1.382 45 H HN 0.639 nan 8.280 nan 0.000 0.535 46 T N -0.583 113.963 114.554 -0.014 0.000 2.721 46 T HA -0.224 4.126 4.350 -0.000 0.000 0.268 46 T C 2.173 176.825 174.700 -0.079 0.000 1.038 46 T CA 1.357 63.423 62.100 -0.056 0.000 1.145 46 T CB -0.792 68.066 68.868 -0.017 0.000 0.858 46 T HN 0.257 nan 8.240 nan 0.000 0.459 47 V N 1.022 120.905 119.914 -0.052 0.000 2.546 47 V HA -0.179 3.941 4.120 -0.000 0.000 0.254 47 V C 2.271 178.382 176.094 0.029 0.000 1.076 47 V CA 1.964 64.271 62.300 0.012 0.000 1.087 47 V CB -0.439 31.413 31.823 0.048 0.000 0.674 47 V HN 0.453 nan 8.190 nan 0.000 0.470 48 S N -0.496 115.142 115.700 -0.102 0.000 2.528 48 S HA 0.358 4.828 4.470 -0.000 0.000 0.219 48 S C 0.925 175.463 174.600 -0.104 0.000 0.985 48 S CA 0.363 58.495 58.200 -0.114 0.000 0.914 48 S CB -0.069 62.995 63.200 -0.227 0.000 0.776 48 S HN 0.699 nan 8.310 nan 0.000 0.526 49 A N 1.242 123.997 122.820 -0.108 0.000 2.483 49 A HA 0.246 4.566 4.320 -0.000 0.000 0.238 49 A C 0.842 178.449 177.584 0.038 0.000 1.070 49 A CA 0.129 52.154 52.037 -0.021 0.000 0.770 49 A CB 0.315 19.314 19.000 -0.002 0.000 1.008 49 A HN 0.475 nan 8.150 nan 0.000 0.497 50 Q N 1.760 121.608 119.800 0.080 0.000 2.618 50 Q HA 0.120 4.460 4.340 -0.000 0.000 0.209 50 Q C 2.143 178.217 176.000 0.123 0.000 0.797 50 Q CA 0.495 56.353 55.803 0.091 0.000 0.888 50 Q CB -0.039 28.751 28.738 0.087 0.000 1.244 50 Q HN 0.875 nan 8.270 nan 0.000 0.626 51 G N 0.707 109.630 108.800 0.205 0.000 2.440 51 G HA2 0.153 4.113 3.960 -0.000 0.000 0.218 51 G HA3 0.153 4.113 3.960 -0.000 0.000 0.218 51 G C 0.651 175.533 174.900 -0.030 0.000 1.154 51 G CA 1.002 46.254 45.100 0.255 0.000 0.767 51 G HN 0.546 nan 8.290 nan 0.000 0.552 52 G N -1.361 107.382 108.800 -0.095 0.000 2.325 52 G HA2 0.194 4.154 3.960 -0.000 0.000 0.285 52 G HA3 0.194 4.154 3.960 -0.000 0.000 0.285 52 G C -1.371 173.436 174.900 -0.155 0.000 1.303 52 G CA -0.557 44.479 45.100 -0.108 0.000 0.970 52 G HN 0.482 nan 8.290 nan 0.000 0.490 53 I N 1.175 121.687 120.570 -0.097 0.000 2.382 53 I HA 0.381 4.551 4.170 -0.000 0.000 0.286 53 I C 0.173 176.206 176.117 -0.140 0.000 1.002 53 I CA -0.613 60.648 61.300 -0.066 0.000 1.135 53 I CB 2.069 40.099 38.000 0.050 0.000 1.288 53 I HN 0.382 nan 8.210 nan 0.000 0.448 54 T N 6.016 120.482 114.554 -0.147 0.000 2.737 54 T HA 0.396 4.746 4.350 -0.000 0.000 0.296 54 T C -0.399 174.191 174.700 -0.183 0.000 0.922 54 T CA -0.159 61.821 62.100 -0.201 0.000 1.079 54 T CB 0.904 69.683 68.868 -0.149 0.000 0.892 54 T HN 0.368 nan 8.240 nan 0.000 0.514 55 V N 2.742 122.501 119.914 -0.258 0.000 2.924 55 V HA 0.646 4.766 4.120 -0.000 0.000 0.300 55 V C -0.622 175.362 176.094 -0.183 0.000 1.227 55 V CA -0.971 61.232 62.300 -0.162 0.000 0.954 55 V CB 1.858 33.631 31.823 -0.083 0.000 1.055 55 V HN 0.931 nan 8.190 nan 0.000 0.429 56 A N 6.545 129.321 122.820 -0.073 0.000 3.052 56 A HA 0.353 4.673 4.320 -0.000 0.000 0.266 56 A C 0.945 178.470 177.584 -0.099 0.000 1.855 56 A CA 0.103 52.101 52.037 -0.066 0.000 1.473 56 A CB -0.665 18.369 19.000 0.056 0.000 1.038 56 A HN 0.948 nan 8.150 nan 0.000 0.619 57 L N 0.852 121.979 121.223 -0.160 0.000 2.179 57 L HA 0.079 4.418 4.340 -0.000 0.000 0.208 57 L C 1.888 178.661 176.870 -0.161 0.000 1.096 57 L CA 0.887 55.627 54.840 -0.167 0.000 0.779 57 L CB -0.268 41.661 42.059 -0.216 0.000 0.922 57 L HN 0.806 nan 8.230 nan 0.000 0.443 58 G N 0.208 108.888 108.800 -0.200 0.000 2.182 58 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.248 58 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.248 58 G C 0.470 175.258 174.900 -0.187 0.000 1.042 58 G CA 0.529 45.508 45.100 -0.201 0.000 0.775 58 G HN 0.314 nan 8.290 nan 0.000 0.501 59 N N -0.156 118.414 118.700 -0.216 0.000 2.258 59 N HA 0.014 4.754 4.740 -0.000 0.000 0.183 59 N C 2.327 177.747 175.510 -0.150 0.000 1.029 59 N CA 1.730 54.683 53.050 -0.162 0.000 0.857 59 N CB -0.525 37.864 38.487 -0.163 0.000 1.008 59 N HN 0.316 nan 8.380 nan 0.000 0.433 60 T N 0.150 114.571 114.554 -0.223 0.000 2.951 60 T HA -0.041 4.309 4.350 -0.000 0.000 0.268 60 T C -0.064 174.604 174.700 -0.053 0.000 1.073 60 T CA 1.151 63.164 62.100 -0.144 0.000 1.134 60 T CB -0.201 68.569 68.868 -0.164 0.000 0.884 60 T HN 0.590 nan 8.240 nan 0.000 0.479 61 H N -1.425 117.635 119.070 -0.018 0.000 3.042 61 H HA 0.619 5.175 4.556 -0.000 0.000 0.346 61 H C -1.053 174.285 175.328 0.016 0.000 1.294 61 H CA -1.161 54.895 56.048 0.013 0.000 1.141 61 H CB 0.515 30.298 29.762 0.034 0.000 1.872 61 H HN -0.044 nan 8.280 nan 0.000 0.541 62 E N 0.584 120.896 120.200 0.187 0.000 2.502 62 E HA 0.080 4.429 4.350 -0.000 0.000 0.261 62 E C -0.708 176.004 176.600 0.187 0.000 0.974 62 E CA 0.547 57.010 56.400 0.105 0.000 0.936 62 E CB 0.461 30.221 29.700 0.099 0.000 0.926 62 E HN 0.532 nan 8.360 nan 0.000 0.459 63 D N 1.687 122.036 120.400 -0.084 0.000 2.614 63 D HA 0.395 5.035 4.640 -0.000 0.000 0.264 63 D C -1.556 174.340 176.300 -0.674 0.000 1.092 63 D CA -0.612 53.263 54.000 -0.208 0.000 1.071 63 D CB 1.349 42.084 40.800 -0.108 0.000 1.443 63 D HN 0.343 nan 8.370 nan 0.000 0.528 64 N N 0.858 119.031 118.700 -0.878 0.000 2.455 64 N HA 0.073 4.813 4.740 -0.000 0.000 0.285 64 N C 0.807 176.033 175.510 -0.473 0.000 1.080 64 N CA -0.675 51.805 53.050 -0.950 0.000 0.932 64 N CB 0.821 38.143 38.487 -1.942 0.000 1.610 64 N HN 0.627 nan 8.380 nan 0.000 0.493 65 W N 3.553 124.731 121.300 -0.204 0.000 2.364 65 W HA -0.033 4.627 4.660 -0.000 0.000 0.281 65 W C 0.415 176.985 176.519 0.085 0.000 1.219 65 W CA 0.656 57.995 57.345 -0.011 0.000 1.220 65 W CB -0.335 29.119 29.460 -0.010 0.000 1.127 65 W HN 0.569 nan 8.180 nan 0.000 0.556 66 E N 0.117 119.836 120.200 -0.802 0.000 2.152 66 E HA -0.161 4.189 4.350 -0.000 0.000 0.192 66 E C 1.970 178.649 176.600 0.132 0.000 0.983 66 E CA 1.526 57.658 56.400 -0.447 0.000 0.818 66 E CB -0.558 28.872 29.700 -0.450 0.000 0.758 66 E HN 0.197 nan 8.360 nan 0.000 0.467 67 W N 0.726 121.859 121.300 -0.279 0.000 2.358 67 W HA -0.140 4.520 4.660 -0.000 0.000 0.303 67 W C 2.098 178.658 176.519 0.069 0.000 1.208 67 W CA 0.916 58.085 57.345 -0.293 0.000 1.274 67 W CB -1.421 27.831 29.460 -0.346 0.000 1.138 67 W HN 0.336 nan 8.180 nan 0.000 0.515 68 H N -0.457 118.755 119.070 0.236 0.000 2.321 68 H HA -0.185 4.371 4.556 -0.000 0.000 0.300 68 H C 2.359 177.820 175.328 0.222 0.000 1.087 68 H CA 1.749 57.925 56.048 0.213 0.000 1.319 68 H CB -0.161 29.718 29.762 0.195 0.000 1.379 68 H HN 0.011 nan 8.280 nan 0.000 0.501 69 M N 0.131 119.887 119.600 0.260 0.000 2.080 69 M HA -0.258 4.222 4.480 -0.000 0.000 0.260 69 M C 2.219 178.597 176.300 0.130 0.000 1.068 69 M CA 1.942 57.376 55.300 0.223 0.000 1.109 69 M CB -0.368 32.497 32.600 0.442 0.000 1.342 69 M HN 0.403 nan 8.290 nan 0.000 0.405 70 Y N 1.345 121.606 120.300 -0.065 0.000 2.097 70 Y HA -0.318 4.232 4.550 -0.000 0.000 0.282 70 Y C 1.866 177.627 175.900 -0.231 0.000 1.152 70 Y CA 2.308 60.095 58.100 -0.522 0.000 1.136 70 Y CB -0.558 37.715 38.460 -0.313 0.000 0.975 70 Y HN 0.347 nan 8.280 nan 0.000 0.498 71 D N -0.510 119.947 120.400 0.095 0.000 2.116 71 D HA -0.193 4.446 4.640 -0.000 0.000 0.193 71 D C 2.100 178.380 176.300 -0.034 0.000 0.998 71 D CA 2.218 56.256 54.000 0.064 0.000 0.836 71 D CB -0.536 40.408 40.800 0.240 0.000 0.951 71 D HN 0.428 nan 8.370 nan 0.000 0.449 72 T N 0.503 115.063 114.554 0.009 0.000 2.777 72 T HA -0.066 4.284 4.350 -0.000 0.000 0.266 72 T C 2.293 176.934 174.700 -0.099 0.000 1.040 72 T CA 0.674 62.777 62.100 0.004 0.000 1.141 72 T CB -0.256 68.611 68.868 -0.001 0.000 0.868 72 T HN -0.024 nan 8.240 nan 0.000 0.444 73 V N 1.900 121.706 119.914 -0.179 0.000 2.295 73 V HA -0.159 3.961 4.120 -0.000 0.000 0.246 73 V C 2.509 178.256 176.094 -0.579 0.000 1.049 73 V CA 1.731 63.877 62.300 -0.257 0.000 1.024 73 V CB -0.550 31.193 31.823 -0.134 0.000 0.648 73 V HN 0.470 nan 8.190 nan 0.000 0.447 74 K N 0.545 120.529 120.400 -0.693 0.000 2.097 74 K HA -0.103 4.216 4.320 -0.000 0.000 0.205 74 K C 2.170 178.522 176.600 -0.414 0.000 1.050 74 K CA 1.581 57.391 56.287 -0.795 0.000 0.938 74 K CB -0.596 31.480 32.500 -0.707 0.000 0.718 74 K HN 0.438 nan 8.250 nan 0.000 0.442 75 G N 0.850 109.539 108.800 -0.184 0.000 2.440 75 G HA2 -0.302 3.657 3.960 -0.000 0.000 0.218 75 G HA3 -0.302 3.657 3.960 -0.000 0.000 0.218 75 G C 1.466 176.349 174.900 -0.028 0.000 1.154 75 G CA 1.172 46.280 45.100 0.014 0.000 0.767 75 G HN 0.518 nan 8.290 nan 0.000 0.552 76 S N -0.082 115.558 115.700 -0.100 0.000 2.603 76 S HA 0.014 4.484 4.470 -0.000 0.000 0.229 76 S C 1.049 175.603 174.600 -0.075 0.000 0.972 76 S CA 1.049 59.220 58.200 -0.048 0.000 0.935 76 S CB -0.134 63.047 63.200 -0.032 0.000 0.769 76 S HN 0.323 nan 8.310 nan 0.000 0.536 77 D N 0.311 120.611 120.400 -0.167 0.000 2.837 77 D HA -0.258 4.382 4.640 -0.000 0.000 0.230 77 D C -0.466 175.846 176.300 0.021 0.000 1.152 77 D CA 1.067 55.019 54.000 -0.080 0.000 0.736 77 D CB -1.960 38.879 40.800 0.065 0.000 1.084 77 D HN 0.674 nan 8.370 nan 0.000 0.429 78 Y N -3.622 116.685 120.300 0.012 0.000 4.841 78 Y HA -0.341 4.209 4.550 -0.000 0.000 0.242 78 Y C 1.617 177.519 175.900 0.002 0.000 1.002 78 Y CA 1.200 59.309 58.100 0.014 0.000 2.011 78 Y CB -2.403 36.067 38.460 0.016 0.000 1.554 78 Y HN 0.502 nan 8.280 nan 0.000 0.618 79 I N -2.064 118.536 120.570 0.050 0.000 3.941 79 I HA 0.549 4.719 4.170 -0.000 0.000 0.335 79 I C 1.204 177.319 176.117 -0.003 0.000 1.402 79 I CA 0.103 61.377 61.300 -0.042 0.000 1.112 79 I CB 0.194 38.122 38.000 -0.120 0.000 1.043 79 I HN 0.142 nan 8.210 nan 0.000 0.395 80 G N 1.414 110.241 108.800 0.045 0.000 2.403 80 G HA2 0.167 4.127 3.960 -0.000 0.000 0.259 80 G HA3 0.167 4.127 3.960 -0.000 0.000 0.259 80 G C -0.606 174.360 174.900 0.110 0.000 1.244 80 G CA -0.357 44.792 45.100 0.082 0.000 0.849 80 G HN 0.251 nan 8.290 nan 0.000 0.532 81 D N 2.038 122.521 120.400 0.137 0.000 2.371 81 D HA 0.023 4.663 4.640 -0.000 0.000 0.256 81 D C 1.277 177.648 176.300 0.118 0.000 1.193 81 D CA 0.248 54.327 54.000 0.132 0.000 0.881 81 D CB 1.754 42.621 40.800 0.112 0.000 1.143 81 D HN 0.490 nan 8.370 nan 0.000 0.473 82 Q N 1.449 121.331 119.800 0.137 0.000 2.172 82 Q HA -0.128 4.212 4.340 -0.000 0.000 0.200 82 Q C 1.344 177.448 176.000 0.173 0.000 0.964 82 Q CA 0.888 56.795 55.803 0.172 0.000 0.855 82 Q CB 0.196 29.050 28.738 0.193 0.000 0.918 82 Q HN 0.531 nan 8.270 nan 0.000 0.444 83 D N 0.668 121.149 120.400 0.136 0.000 2.178 83 D HA -0.132 4.508 4.640 -0.000 0.000 0.202 83 D C 1.636 178.035 176.300 0.165 0.000 0.974 83 D CA 1.368 55.450 54.000 0.136 0.000 0.841 83 D CB -0.235 40.619 40.800 0.089 0.000 0.953 83 D HN 0.161 nan 8.370 nan 0.000 0.478 84 A N 0.705 123.610 122.820 0.141 0.000 1.930 84 A HA 0.069 4.389 4.320 -0.000 0.000 0.215 84 A C 2.509 180.266 177.584 0.289 0.000 1.176 84 A CA 0.734 52.885 52.037 0.191 0.000 0.632 84 A CB -0.667 18.362 19.000 0.048 0.000 0.819 84 A HN 0.238 nan 8.150 nan 0.000 0.445 85 I N -0.250 120.438 120.570 0.197 0.000 2.226 85 I HA -0.278 3.892 4.170 -0.000 0.000 0.245 85 I C 2.552 178.793 176.117 0.207 0.000 1.100 85 I CA 1.837 63.242 61.300 0.175 0.000 1.374 85 I CB -0.355 37.723 38.000 0.131 0.000 1.057 85 I HN 0.576 nan 8.210 nan 0.000 0.413 86 E N 0.844 121.199 120.200 0.259 0.000 2.058 86 E HA -0.322 4.028 4.350 -0.000 0.000 0.194 86 E C 2.331 178.996 176.600 0.108 0.000 0.997 86 E CA 1.720 58.300 56.400 0.299 0.000 0.801 86 E CB -0.338 29.550 29.700 0.314 0.000 0.746 86 E HN 0.517 nan 8.360 nan 0.000 0.450 87 Y N 0.854 121.167 120.300 0.022 0.000 2.128 87 Y HA -0.259 4.291 4.550 -0.000 0.000 0.284 87 Y C 2.475 178.292 175.900 -0.138 0.000 1.154 87 Y CA 2.408 60.469 58.100 -0.064 0.000 1.149 87 Y CB -0.280 38.195 38.460 0.024 0.000 0.976 87 Y HN 0.107 nan 8.280 nan 0.000 0.505 88 M N -0.928 118.722 119.600 0.084 0.000 2.086 88 M HA -0.270 4.210 4.480 -0.000 0.000 0.261 88 M C 2.117 178.331 176.300 -0.144 0.000 1.067 88 M CA 2.370 57.609 55.300 -0.101 0.000 1.116 88 M CB -0.608 32.054 32.600 0.103 0.000 1.348 88 M HN 0.481 nan 8.290 nan 0.000 0.407 89 C N 0.313 119.571 119.300 -0.070 0.000 2.446 89 C HA -0.096 4.364 4.460 -0.000 0.000 0.277 89 C C 2.653 177.614 174.990 -0.047 0.000 1.275 89 C CA 1.266 60.290 59.018 0.009 0.000 1.727 89 C CB -0.960 26.857 27.740 0.128 0.000 2.010 89 C HN 0.602 nan 8.230 nan 0.000 0.486 90 K N 1.020 121.168 120.400 -0.420 0.000 2.057 90 K HA -0.093 4.227 4.320 -0.000 0.000 0.206 90 K C 1.792 178.022 176.600 -0.617 0.000 1.050 90 K CA 1.955 57.660 56.287 -0.970 0.000 0.935 90 K CB -0.620 31.023 32.500 -1.429 0.000 0.715 90 K HN 0.348 nan 8.250 nan 0.000 0.439 91 T N -0.260 113.952 114.554 -0.570 0.000 2.985 91 T HA 0.052 4.402 4.350 -0.000 0.000 0.266 91 T C 1.617 176.120 174.700 -0.329 0.000 1.076 91 T CA 0.865 62.651 62.100 -0.525 0.000 1.135 91 T CB -0.418 67.959 68.868 -0.818 0.000 0.890 91 T HN 0.506 nan 8.240 nan 0.000 0.480 92 G N 2.658 111.309 108.800 -0.247 0.000 2.529 92 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.219 92 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.219 92 G C -0.712 174.120 174.900 -0.114 0.000 1.177 92 G CA 0.770 45.792 45.100 -0.131 0.000 0.773 92 G HN 0.393 nan 8.290 nan 0.000 0.573 93 P HA -0.106 nan 4.420 nan 0.000 0.215 93 P C 1.750 178.973 177.300 -0.128 0.000 1.157 93 P CA 1.574 64.606 63.100 -0.113 0.000 0.874 93 P CB -0.040 31.601 31.700 -0.099 0.000 0.790 94 E N -0.189 119.930 120.200 -0.134 0.000 2.150 94 E HA -0.153 4.197 4.350 -0.000 0.000 0.193 94 E C 1.811 178.343 176.600 -0.113 0.000 0.985 94 E CA 1.182 57.509 56.400 -0.121 0.000 0.814 94 E CB -0.428 29.203 29.700 -0.116 0.000 0.752 94 E HN 0.054 nan 8.360 nan 0.000 0.466 95 A N 1.188 123.938 122.820 -0.118 0.000 1.969 95 A HA -0.105 4.215 4.320 -0.000 0.000 0.218 95 A C 2.058 179.603 177.584 -0.064 0.000 1.169 95 A CA 0.961 52.943 52.037 -0.091 0.000 0.635 95 A CB -0.260 18.678 19.000 -0.104 0.000 0.810 95 A HN 0.278 nan 8.150 nan 0.000 0.445 96 I N -0.157 120.371 120.570 -0.070 0.000 2.406 96 I HA -0.094 4.076 4.170 -0.000 0.000 0.249 96 I C 2.357 178.430 176.117 -0.073 0.000 1.122 96 I CA 0.738 62.018 61.300 -0.033 0.000 1.431 96 I CB -1.430 36.537 38.000 -0.055 0.000 1.087 96 I HN 0.261 nan 8.210 nan 0.000 0.424 97 L N 0.566 121.689 121.223 -0.168 0.000 2.079 97 L HA -0.235 4.105 4.340 -0.000 0.000 0.210 97 L C 2.525 179.146 176.870 -0.414 0.000 1.081 97 L CA 1.540 56.199 54.840 -0.302 0.000 0.752 97 L CB -0.572 41.306 42.059 -0.301 0.000 0.896 97 L HN 0.334 nan 8.230 nan 0.000 0.433 98 E N 0.718 120.789 120.200 -0.215 0.000 2.110 98 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 98 E C 2.316 178.894 176.600 -0.036 0.000 0.988 98 E CA 0.938 57.277 56.400 -0.103 0.000 0.804 98 E CB -0.017 29.668 29.700 -0.024 0.000 0.745 98 E HN 0.490 nan 8.360 nan 0.000 0.458 99 L N 0.925 122.145 121.223 -0.004 0.000 2.093 99 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 99 L C 2.834 179.757 176.870 0.089 0.000 1.085 99 L CA 1.104 55.974 54.840 0.050 0.000 0.755 99 L CB -0.523 41.591 42.059 0.092 0.000 0.904 99 L HN 0.224 nan 8.230 nan 0.000 0.435 100 E N 0.381 120.672 120.200 0.151 0.000 2.110 100 E HA -0.235 4.115 4.350 -0.000 0.000 0.193 100 E C 1.963 178.648 176.600 0.142 0.000 0.988 100 E CA 1.526 58.044 56.400 0.196 0.000 0.804 100 E CB -0.086 29.716 29.700 0.170 0.000 0.745 100 E HN 0.645 nan 8.360 nan 0.000 0.458 101 H N -1.047 118.065 119.070 0.070 0.000 2.491 101 H HA 0.018 4.574 4.556 -0.000 0.000 0.290 101 H C 1.860 177.200 175.328 0.019 0.000 1.050 101 H CA 0.723 56.791 56.048 0.034 0.000 1.309 101 H CB 0.106 29.878 29.762 0.016 0.000 1.392 101 H HN 0.138 nan 8.280 nan 0.000 0.554 102 M N -0.738 118.939 119.600 0.128 0.000 2.556 102 M HA 0.112 4.592 4.480 -0.000 0.000 0.245 102 M C 1.235 177.557 176.300 0.037 0.000 1.128 102 M CA 0.751 56.086 55.300 0.057 0.000 1.069 102 M CB 1.064 33.679 32.600 0.025 0.000 1.469 102 M HN 0.489 nan 8.290 nan 0.000 0.494 103 G N 1.132 109.964 108.800 0.054 0.000 2.168 103 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.197 103 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.197 103 G C -0.068 174.829 174.900 -0.006 0.000 0.997 103 G CA -0.617 44.504 45.100 0.034 0.000 0.658 103 G HN 0.378 nan 8.290 nan 0.000 0.513 104 L N 2.670 123.863 121.223 -0.050 0.000 2.601 104 L HA 0.297 4.637 4.340 -0.000 0.000 0.277 104 L C -1.134 175.611 176.870 -0.207 0.000 1.219 104 L CA -0.814 53.899 54.840 -0.213 0.000 0.915 104 L CB 0.652 42.447 42.059 -0.439 0.000 1.160 104 L HN 0.005 nan 8.230 nan 0.000 0.494 105 P HA 0.072 nan 4.420 nan 0.000 0.220 105 P C -0.505 176.768 177.300 -0.043 0.000 1.806 105 P CA -0.253 62.811 63.100 -0.061 0.000 0.976 105 P CB -0.348 31.335 31.700 -0.029 0.000 1.952 106 F N 0.591 120.558 119.950 0.029 0.000 2.589 106 F HA -0.019 4.508 4.527 -0.000 0.000 0.352 106 F C 1.707 177.529 175.800 0.037 0.000 1.168 106 F CA 0.885 58.906 58.000 0.036 0.000 1.353 106 F CB 0.050 39.066 39.000 0.027 0.000 1.116 106 F HN 0.068 nan 8.300 nan 0.000 0.608 107 S N 2.622 118.487 115.700 0.276 0.000 2.624 107 S HA 0.545 5.015 4.470 -0.000 0.000 0.263 107 S C -0.112 174.588 174.600 0.166 0.000 1.287 107 S CA -0.792 57.489 58.200 0.135 0.000 0.990 107 S CB 0.721 63.934 63.200 0.021 0.000 0.950 107 S HN 0.320 nan 8.310 nan 0.000 0.561 108 R N 0.645 121.188 120.500 0.072 0.000 2.628 108 R HA 0.458 4.798 4.340 -0.000 0.000 0.288 108 R C -0.702 175.650 176.300 0.087 0.000 0.980 108 R CA -0.589 55.565 56.100 0.091 0.000 0.891 108 R CB 0.834 31.168 30.300 0.057 0.000 1.188 108 R HN 0.523 nan 8.270 nan 0.000 0.450 109 L N 1.382 122.680 121.223 0.125 0.000 2.475 109 L HA 0.070 4.410 4.340 -0.000 0.000 0.250 109 L C 1.279 178.181 176.870 0.054 0.000 1.224 109 L CA -0.266 54.639 54.840 0.107 0.000 0.821 109 L CB 0.388 42.501 42.059 0.089 0.000 1.141 109 L HN 0.474 nan 8.230 nan 0.000 0.494 110 D N 0.247 120.674 120.400 0.045 0.000 2.178 110 D HA -0.159 4.481 4.640 -0.000 0.000 0.201 110 D C 1.246 177.560 176.300 0.023 0.000 0.980 110 D CA 1.220 55.237 54.000 0.028 0.000 0.842 110 D CB -0.172 40.644 40.800 0.026 0.000 0.948 110 D HN 0.619 nan 8.370 nan 0.000 0.472 111 D N -1.279 119.136 120.400 0.024 0.000 2.336 111 D HA 0.123 4.763 4.640 -0.000 0.000 0.229 111 D C 1.482 177.791 176.300 0.016 0.000 1.061 111 D CA 0.713 54.723 54.000 0.017 0.000 0.875 111 D CB -0.110 40.698 40.800 0.012 0.000 0.904 111 D HN 0.198 nan 8.370 nan 0.000 0.525 112 G N -0.019 108.794 108.800 0.022 0.000 2.175 112 G HA2 -0.301 3.658 3.960 -0.000 0.000 0.244 112 G HA3 -0.301 3.658 3.960 -0.000 0.000 0.244 112 G C 0.355 175.268 174.900 0.022 0.000 0.982 112 G CA -0.130 44.985 45.100 0.024 0.000 0.641 112 G HN 0.453 nan 8.290 nan 0.000 0.527 113 R N -0.243 120.264 120.500 0.011 0.000 2.560 113 R HA 0.574 4.914 4.340 -0.000 0.000 0.270 113 R C 0.906 177.199 176.300 -0.011 0.000 1.074 113 R CA -0.728 55.364 56.100 -0.014 0.000 1.140 113 R CB 0.728 31.006 30.300 -0.037 0.000 1.073 113 R HN 0.271 nan 8.270 nan 0.000 0.527 114 I N 2.522 123.044 120.570 -0.080 0.000 2.742 114 I HA -0.176 3.994 4.170 -0.000 0.000 0.287 114 I C 0.227 176.310 176.117 -0.057 0.000 1.186 114 I CA 0.434 61.658 61.300 -0.127 0.000 1.417 114 I CB -0.170 37.569 38.000 -0.434 0.000 1.377 114 I HN 0.444 nan 8.210 nan 0.000 0.556 115 Y N 7.878 128.133 120.300 -0.076 0.000 2.544 115 Y HA 0.127 4.677 4.550 -0.000 0.000 0.330 115 Y C -0.076 175.783 175.900 -0.068 0.000 1.136 115 Y CA -0.032 58.041 58.100 -0.046 0.000 1.417 115 Y CB 0.342 38.806 38.460 0.007 0.000 1.229 115 Y HN 0.502 nan 8.280 nan 0.000 0.532 116 Q N 6.820 126.213 119.800 -0.677 0.000 2.340 116 Q HA 0.437 4.777 4.340 -0.000 0.000 0.268 116 Q C -1.034 174.514 176.000 -0.755 0.000 1.031 116 Q CA -1.137 54.309 55.803 -0.594 0.000 0.804 116 Q CB 2.214 30.728 28.738 -0.374 0.000 1.286 116 Q HN 0.757 nan 8.270 nan 0.000 0.448 117 R N 0.876 121.079 120.500 -0.496 0.000 2.732 117 R HA 0.683 5.023 4.340 -0.000 0.000 0.278 117 R C -2.802 173.482 176.300 -0.027 0.000 0.976 117 R CA -2.260 53.695 56.100 -0.242 0.000 0.963 117 R CB 0.564 30.853 30.300 -0.020 0.000 1.150 117 R HN 0.198 nan 8.270 nan 0.000 0.478 118 P HA 0.064 nan 4.420 nan 0.000 0.267 118 P C -1.293 176.175 177.300 0.279 0.000 1.200 118 P CA 0.141 63.318 63.100 0.128 0.000 0.772 118 P CB 0.296 32.051 31.700 0.092 0.000 0.855 119 F N -0.074 119.869 119.950 -0.011 0.000 2.715 119 F HA 0.548 5.074 4.527 -0.000 0.000 0.318 119 F C 0.478 176.260 175.800 -0.030 0.000 1.141 119 F CA -0.592 57.397 58.000 -0.017 0.000 0.950 119 F CB 1.186 40.175 39.000 -0.018 0.000 1.374 119 F HN 0.301 nan 8.300 nan 0.000 0.477 120 G N 0.425 109.161 108.800 -0.108 0.000 2.380 120 G HA2 0.414 4.374 3.960 -0.000 0.000 0.242 120 G HA3 0.414 4.374 3.960 -0.000 0.000 0.242 120 G C 0.651 175.541 174.900 -0.016 0.000 1.298 120 G CA 0.335 45.361 45.100 -0.125 0.000 0.878 120 G HN 1.688 nan 8.290 nan 0.000 0.542 121 G N 0.917 109.688 108.800 -0.049 0.000 2.225 121 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.264 121 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.264 121 G C 0.131 175.118 174.900 0.144 0.000 1.060 121 G CA 0.418 45.555 45.100 0.062 0.000 0.833 121 G HN 0.877 nan 8.290 nan 0.000 0.498 122 Q N -0.088 119.787 119.800 0.125 0.000 2.330 122 Q HA 0.661 5.000 4.340 -0.000 0.000 0.269 122 Q C -0.073 175.985 176.000 0.096 0.000 1.022 122 Q CA -0.097 55.783 55.803 0.129 0.000 0.796 122 Q CB 2.218 31.028 28.738 0.120 0.000 1.271 122 Q HN 0.744 nan 8.270 nan 0.000 0.450 123 S N 1.471 117.221 115.700 0.085 0.000 2.588 123 S HA 0.612 5.082 4.470 -0.000 0.000 0.275 123 S C -1.015 173.490 174.600 -0.158 0.000 1.130 123 S CA -1.097 57.085 58.200 -0.029 0.000 0.855 123 S CB 1.957 65.150 63.200 -0.011 0.000 1.116 123 S HN 0.428 nan 8.310 nan 0.000 0.472 124 K N 0.886 121.054 120.400 -0.388 0.000 2.098 124 K HA 0.484 4.804 4.320 -0.000 0.000 0.258 124 K C -0.369 175.469 176.600 -1.270 0.000 0.973 124 K CA -0.749 54.987 56.287 -0.918 0.000 0.898 124 K CB 0.340 32.385 32.500 -0.759 0.000 1.057 124 K HN 0.829 nan 8.250 nan 0.000 0.447 125 N N 0.944 118.196 118.700 -2.413 0.000 2.725 125 N HA -0.210 4.530 4.740 -0.000 0.000 0.249 125 N C -1.282 173.752 175.510 -0.792 0.000 1.103 125 N CA 0.595 52.787 53.050 -1.431 0.000 0.707 125 N CB -1.539 36.533 38.487 -0.691 0.000 1.043 125 N HN 0.608 nan 8.380 nan 0.000 0.553 126 F N -1.864 117.585 119.950 -0.835 0.000 2.803 126 F HA -0.122 4.405 4.527 -0.000 0.000 0.323 126 F C 1.397 176.672 175.800 -0.875 0.000 1.033 126 F CA 1.089 58.477 58.000 -1.020 0.000 1.066 126 F CB -1.793 36.703 39.000 -0.839 0.000 1.283 126 F HN 0.436 nan 8.300 nan 0.000 0.816 127 G N -1.047 107.546 108.800 -0.345 0.000 2.144 127 G HA2 0.087 4.046 3.960 -0.000 0.000 0.218 127 G HA3 0.087 4.046 3.960 -0.000 0.000 0.218 127 G C 0.866 175.709 174.900 -0.094 0.000 0.988 127 G CA 0.041 45.120 45.100 -0.036 0.000 0.659 127 G HN 1.386 nan 8.290 nan 0.000 0.522 128 G N -0.304 108.370 108.800 -0.211 0.000 2.873 128 G HA2 0.468 4.427 3.960 -0.000 0.000 0.170 128 G HA3 0.468 4.427 3.960 -0.000 0.000 0.170 128 G C 0.332 175.139 174.900 -0.154 0.000 1.608 128 G CA 0.395 45.382 45.100 -0.189 0.000 1.084 128 G HN 0.745 nan 8.290 nan 0.000 0.563 129 E N 0.141 120.232 120.200 -0.181 0.000 2.437 129 E HA 0.046 4.396 4.350 -0.000 0.000 0.263 129 E C 0.188 176.706 176.600 -0.136 0.000 1.030 129 E CA -0.266 56.047 56.400 -0.145 0.000 0.934 129 E CB 0.398 30.000 29.700 -0.163 0.000 0.943 129 E HN 0.278 nan 8.360 nan 0.000 0.444 130 Q N 2.021 121.773 119.800 -0.079 0.000 2.304 130 Q HA 0.050 4.390 4.340 -0.000 0.000 0.315 130 Q C -1.253 174.702 176.000 -0.075 0.000 1.075 130 Q CA 0.754 56.531 55.803 -0.044 0.000 0.988 130 Q CB 0.704 29.433 28.738 -0.015 0.000 1.146 130 Q HN 0.518 nan 8.270 nan 0.000 0.383 131 A N 3.261 126.073 122.820 -0.012 0.000 2.261 131 A HA 0.883 5.203 4.320 -0.000 0.000 0.323 131 A C -0.943 176.752 177.584 0.186 0.000 1.107 131 A CA -0.241 51.828 52.037 0.053 0.000 0.883 131 A CB 1.299 20.391 19.000 0.153 0.000 1.251 131 A HN 1.040 nan 8.150 nan 0.000 0.502 132 A N 0.334 123.412 122.820 0.430 0.000 2.702 132 A HA 0.568 4.888 4.320 -0.000 0.000 0.305 132 A C 0.101 177.673 177.584 -0.020 0.000 1.213 132 A CA -0.408 51.719 52.037 0.150 0.000 0.745 132 A CB 0.126 19.191 19.000 0.107 0.000 1.161 132 A HN 1.019 nan 8.150 nan 0.000 0.445 133 R N 0.345 120.807 120.500 -0.063 0.000 2.600 133 R HA 0.217 4.557 4.340 -0.000 0.000 0.392 133 R C -0.824 175.336 176.300 -0.233 0.000 1.032 133 R CA -0.046 55.945 56.100 -0.182 0.000 1.139 133 R CB 0.175 30.372 30.300 -0.172 0.000 1.400 133 R HN 0.296 nan 8.270 nan 0.000 0.566 134 T N 1.747 116.158 114.554 -0.239 0.000 2.747 134 T HA 0.473 4.823 4.350 -0.000 0.000 0.301 134 T C 0.101 174.641 174.700 -0.266 0.000 0.952 134 T CA -0.309 61.594 62.100 -0.328 0.000 0.983 134 T CB 1.268 69.770 68.868 -0.610 0.000 0.930 134 T HN 0.375 nan 8.240 nan 0.000 0.494 135 A N 3.236 125.932 122.820 -0.207 0.000 2.450 135 A HA 0.700 5.020 4.320 -0.000 0.000 0.255 135 A C 0.428 178.069 177.584 0.095 0.000 1.096 135 A CA -0.577 51.378 52.037 -0.136 0.000 0.778 135 A CB 0.046 18.875 19.000 -0.286 0.000 1.031 135 A HN 1.012 nan 8.150 nan 0.000 0.494 136 A N 1.522 124.485 122.820 0.239 0.000 2.435 136 A HA 0.775 5.095 4.320 -0.000 0.000 0.304 136 A C -0.123 177.679 177.584 0.364 0.000 1.064 136 A CA 0.006 52.218 52.037 0.292 0.000 0.727 136 A CB 1.458 20.611 19.000 0.255 0.000 1.284 136 A HN 2.170 nan 8.150 nan 0.000 0.415 137 A N 1.597 124.532 122.820 0.191 0.000 2.690 137 A HA 0.727 5.047 4.320 -0.000 0.000 0.342 137 A C 0.947 178.576 177.584 0.075 0.000 1.410 137 A CA 0.731 52.828 52.037 0.100 0.000 0.958 137 A CB -1.143 17.848 19.000 -0.016 0.000 1.153 137 A HN 2.843 nan 8.150 nan 0.000 0.497 138 A N 2.226 125.090 122.820 0.073 0.000 5.391 138 A HA -0.257 4.063 4.320 -0.000 0.000 0.315 138 A C 0.695 178.327 177.584 0.080 0.000 1.874 138 A CA 1.723 53.785 52.037 0.042 0.000 0.714 138 A CB -1.374 17.628 19.000 0.003 0.000 1.335 138 A HN 1.570 nan 8.150 nan 0.000 0.382 139 D N -0.300 120.134 120.400 0.056 0.000 2.892 139 D HA 0.427 5.066 4.640 -0.000 0.000 0.291 139 D C 0.361 176.692 176.300 0.052 0.000 1.341 139 D CA -0.023 54.021 54.000 0.073 0.000 0.844 139 D CB -0.232 40.612 40.800 0.074 0.000 1.093 139 D HN 0.596 nan 8.370 nan 0.000 0.480 140 R N -0.419 120.108 120.500 0.045 0.000 2.698 140 R HA 0.202 4.542 4.340 -0.000 0.000 0.422 140 R C 0.439 176.786 176.300 0.079 0.000 1.073 140 R CA -0.182 55.944 56.100 0.044 0.000 1.054 140 R CB 0.393 30.682 30.300 -0.018 0.000 1.373 140 R HN -0.019 nan 8.270 nan 0.000 0.593 141 T N -0.393 114.197 114.554 0.061 0.000 2.867 141 T HA -0.100 4.250 4.350 -0.000 0.000 0.268 141 T C 2.002 176.716 174.700 0.023 0.000 1.057 141 T CA 1.633 63.749 62.100 0.028 0.000 1.136 141 T CB 0.018 68.910 68.868 0.041 0.000 0.874 141 T HN 0.533 nan 8.240 nan 0.000 0.466 142 G N 0.832 109.660 108.800 0.047 0.000 2.421 142 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.216 142 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.216 142 G C 1.258 176.195 174.900 0.061 0.000 1.171 142 G CA 1.188 46.307 45.100 0.031 0.000 0.775 142 G HN 0.658 nan 8.290 nan 0.000 0.543 143 H N 0.980 120.067 119.070 0.027 0.000 2.319 143 H HA 0.098 4.654 4.556 -0.000 0.000 0.299 143 H C 2.673 178.077 175.328 0.126 0.000 1.092 143 H CA 2.104 58.219 56.048 0.112 0.000 1.302 143 H CB -0.230 29.583 29.762 0.084 0.000 1.373 143 H HN 0.287 nan 8.280 nan 0.000 0.497 144 A N 0.684 123.578 122.820 0.124 0.000 1.902 144 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 144 A C 2.422 179.953 177.584 -0.089 0.000 1.181 144 A CA 1.593 53.629 52.037 -0.003 0.000 0.623 144 A CB -0.975 17.987 19.000 -0.063 0.000 0.818 144 A HN 0.511 nan 8.150 nan 0.000 0.443 145 L N -0.924 120.244 121.223 -0.093 0.000 2.017 145 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 145 L C 2.247 179.075 176.870 -0.070 0.000 1.073 145 L CA 2.109 56.893 54.840 -0.093 0.000 0.745 145 L CB -0.566 41.456 42.059 -0.061 0.000 0.894 145 L HN 0.329 nan 8.230 nan 0.000 0.432 146 L N -1.103 120.071 121.223 -0.082 0.000 2.072 146 L HA -0.171 4.168 4.340 -0.000 0.000 0.205 146 L C 2.581 179.346 176.870 -0.175 0.000 1.079 146 L CA 1.701 56.462 54.840 -0.131 0.000 0.752 146 L CB -0.906 41.049 42.059 -0.173 0.000 0.906 146 L HN 0.404 nan 8.230 nan 0.000 0.436 147 H N -1.292 117.685 119.070 -0.154 0.000 2.389 147 H HA -0.085 4.471 4.556 -0.000 0.000 0.299 147 H C 1.951 177.263 175.328 -0.025 0.000 1.081 147 H CA 1.856 57.843 56.048 -0.101 0.000 1.345 147 H CB -0.185 29.427 29.762 -0.250 0.000 1.393 147 H HN 0.368 nan 8.280 nan 0.000 0.520 148 T N 1.486 116.059 114.554 0.032 0.000 2.746 148 T HA -0.087 4.262 4.350 -0.000 0.000 0.267 148 T C 2.440 177.133 174.700 -0.011 0.000 1.039 148 T CA 0.682 62.782 62.100 -0.000 0.000 1.142 148 T CB -0.307 68.534 68.868 -0.044 0.000 0.866 148 T HN 0.180 nan 8.240 nan 0.000 0.444 149 L N -0.370 120.842 121.223 -0.019 0.000 2.046 149 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 149 L C 2.409 179.269 176.870 -0.016 0.000 1.077 149 L CA 1.452 56.278 54.840 -0.024 0.000 0.747 149 L CB -0.561 41.482 42.059 -0.026 0.000 0.896 149 L HN 0.258 nan 8.230 nan 0.000 0.432 150 Y N 0.973 121.197 120.300 -0.127 0.000 2.181 150 Y HA -0.283 4.267 4.550 -0.000 0.000 0.288 150 Y C 2.652 178.500 175.900 -0.086 0.000 1.146 150 Y CA 1.604 59.620 58.100 -0.139 0.000 1.164 150 Y CB -0.271 38.072 38.460 -0.195 0.000 0.982 150 Y HN 0.190 nan 8.280 nan 0.000 0.515 151 Q N -0.577 119.171 119.800 -0.087 0.000 2.124 151 Q HA -0.226 4.114 4.340 -0.000 0.000 0.202 151 Q C 2.183 178.070 176.000 -0.188 0.000 0.977 151 Q CA 1.566 57.281 55.803 -0.148 0.000 0.850 151 Q CB -0.129 28.595 28.738 -0.024 0.000 0.901 151 Q HN 0.490 nan 8.270 nan 0.000 0.429 152 Q N 0.268 119.986 119.800 -0.136 0.000 2.167 152 Q HA -0.091 4.249 4.340 -0.000 0.000 0.202 152 Q C 1.599 177.493 176.000 -0.177 0.000 0.970 152 Q CA 0.918 56.645 55.803 -0.127 0.000 0.855 152 Q CB -0.243 28.448 28.738 -0.078 0.000 0.911 152 Q HN 0.451 nan 8.270 nan 0.000 0.438 153 N N 0.398 118.968 118.700 -0.217 0.000 2.270 153 N HA -0.040 4.700 4.740 -0.000 0.000 0.181 153 N C 1.978 177.293 175.510 -0.324 0.000 1.016 153 N CA 0.545 53.453 53.050 -0.237 0.000 0.870 153 N CB 0.052 38.416 38.487 -0.205 0.000 0.979 153 N HN 0.240 nan 8.380 nan 0.000 0.431 154 L N 1.279 122.233 121.223 -0.448 0.000 2.027 154 L HA -0.131 4.208 4.340 -0.000 0.000 0.206 154 L C 2.555 179.177 176.870 -0.413 0.000 1.074 154 L CA 1.132 55.727 54.840 -0.409 0.000 0.745 154 L CB -0.367 41.454 42.059 -0.396 0.000 0.898 154 L HN 0.116 nan 8.230 nan 0.000 0.433 155 K N 0.396 120.593 120.400 -0.337 0.000 2.147 155 K HA -0.223 4.097 4.320 -0.000 0.000 0.205 155 K C 1.788 178.135 176.600 -0.422 0.000 1.049 155 K CA 1.486 57.573 56.287 -0.335 0.000 0.936 155 K CB -0.115 32.271 32.500 -0.190 0.000 0.722 155 K HN 0.300 nan 8.250 nan 0.000 0.446 156 N N -0.028 118.485 118.700 -0.311 0.000 2.398 156 N HA -0.111 4.629 4.740 -0.000 0.000 0.188 156 N C -0.633 174.803 175.510 -0.124 0.000 1.122 156 N CA 0.296 53.233 53.050 -0.187 0.000 0.866 156 N CB 0.150 38.572 38.487 -0.107 0.000 0.970 156 N HN 0.285 nan 8.380 nan 0.000 0.462 157 H N -0.458 118.570 119.070 -0.071 0.000 2.791 157 H HA -0.121 4.435 4.556 -0.000 0.000 0.302 157 H C -0.431 174.864 175.328 -0.055 0.000 1.198 157 H CA 1.003 57.015 56.048 -0.060 0.000 1.145 157 H CB -2.509 27.231 29.762 -0.037 0.000 1.385 157 H HN 0.180 nan 8.280 nan 0.000 0.409 158 T N 1.604 116.145 114.554 -0.021 0.000 2.934 158 T HA 0.076 4.426 4.350 -0.000 0.000 0.306 158 T C 0.985 175.670 174.700 -0.025 0.000 1.042 158 T CA 0.436 62.520 62.100 -0.027 0.000 1.145 158 T CB 0.664 69.489 68.868 -0.071 0.000 0.982 158 T HN 0.232 nan 8.240 nan 0.000 0.544 159 T N 5.097 119.642 114.554 -0.014 0.000 2.738 159 T HA 0.320 4.670 4.350 -0.000 0.000 0.293 159 T C 0.362 174.999 174.700 -0.105 0.000 0.913 159 T CA -0.096 61.976 62.100 -0.046 0.000 1.103 159 T CB -0.348 68.555 68.868 0.059 0.000 0.880 159 T HN 0.369 nan 8.240 nan 0.000 0.526 160 I N 3.644 124.105 120.570 -0.182 0.000 2.406 160 I HA 0.370 4.540 4.170 -0.000 0.000 0.290 160 I C -0.648 175.297 176.117 -0.287 0.000 0.999 160 I CA -0.845 60.376 61.300 -0.131 0.000 1.124 160 I CB 1.455 39.428 38.000 -0.046 0.000 1.289 160 I HN 0.535 nan 8.210 nan 0.000 0.441 161 F N 4.432 124.279 119.950 -0.171 0.000 2.309 161 F HA 0.239 4.765 4.527 -0.000 0.000 0.366 161 F C 0.924 176.790 175.800 0.110 0.000 1.104 161 F CA -0.322 57.571 58.000 -0.178 0.000 1.179 161 F CB 1.182 39.720 39.000 -0.770 0.000 1.437 161 F HN 0.367 nan 8.300 nan 0.000 0.528 162 S N 2.870 118.782 115.700 0.353 0.000 2.513 162 S HA 0.244 4.713 4.470 -0.000 0.000 0.276 162 S C 0.217 175.084 174.600 0.445 0.000 1.254 162 S CA -0.230 58.164 58.200 0.324 0.000 1.053 162 S CB 0.221 63.588 63.200 0.279 0.000 0.958 162 S HN 0.757 nan 8.310 nan 0.000 0.491 163 E N 1.870 122.266 120.200 0.326 0.000 2.358 163 E HA -0.178 4.172 4.350 -0.000 0.000 0.246 163 E C -1.651 175.036 176.600 0.145 0.000 1.127 163 E CA 0.577 57.106 56.400 0.215 0.000 0.726 163 E CB -1.423 28.392 29.700 0.190 0.000 1.272 163 E HN 0.607 nan 8.360 nan 0.000 0.390 164 W N 0.600 121.953 121.300 0.088 0.000 2.702 164 W HA 0.458 5.118 4.660 -0.000 0.000 0.331 164 W C -0.169 176.384 176.519 0.058 0.000 1.049 164 W CA -0.717 56.683 57.345 0.091 0.000 1.230 164 W CB 0.820 30.334 29.460 0.090 0.000 1.408 164 W HN 0.193 nan 8.180 nan 0.000 0.492 165 Y N 3.218 123.605 120.300 0.146 0.000 2.434 165 Y HA 0.630 5.180 4.550 -0.000 0.000 0.341 165 Y C 0.335 176.296 175.900 0.101 0.000 0.965 165 Y CA -1.044 57.098 58.100 0.070 0.000 1.205 165 Y CB 0.295 38.745 38.460 -0.016 0.000 1.121 165 Y HN 0.512 nan 8.280 nan 0.000 0.507 166 A N 6.706 129.339 122.820 -0.312 0.000 2.488 166 A HA 0.235 4.555 4.320 -0.000 0.000 0.249 166 A C 0.192 177.657 177.584 -0.198 0.000 1.083 166 A CA -0.002 51.924 52.037 -0.185 0.000 0.768 166 A CB 0.217 19.091 19.000 -0.211 0.000 1.017 166 A HN 1.081 nan 8.150 nan 0.000 0.496 167 L N 1.249 122.516 121.223 0.074 0.000 2.265 167 L HA 0.277 4.617 4.340 -0.000 0.000 0.195 167 L C 0.175 177.113 176.870 0.114 0.000 1.083 167 L CA 0.561 55.507 54.840 0.176 0.000 0.798 167 L CB 0.074 42.260 42.059 0.211 0.000 0.989 167 L HN 0.594 nan 8.230 nan 0.000 0.472 168 D N -1.214 119.242 120.400 0.092 0.000 2.706 168 D HA 0.372 5.012 4.640 -0.000 0.000 0.225 168 D C -1.048 175.294 176.300 0.070 0.000 1.241 168 D CA -0.466 53.577 54.000 0.072 0.000 0.784 168 D CB 2.510 43.355 40.800 0.075 0.000 1.521 168 D HN -0.152 nan 8.370 nan 0.000 0.461 169 L N 0.645 121.901 121.223 0.055 0.000 2.467 169 L HA 0.277 4.617 4.340 -0.000 0.000 0.270 169 L C 0.194 177.100 176.870 0.060 0.000 1.205 169 L CA -0.381 54.497 54.840 0.064 0.000 0.828 169 L CB 0.473 42.560 42.059 0.047 0.000 1.101 169 L HN 0.030 nan 8.230 nan 0.000 0.479 170 V N 2.777 122.741 119.914 0.083 0.000 2.398 170 V HA 0.339 4.458 4.120 -0.000 0.000 0.286 170 V C 0.076 176.196 176.094 0.042 0.000 1.026 170 V CA -0.760 61.558 62.300 0.031 0.000 0.868 170 V CB 1.433 33.244 31.823 -0.021 0.000 0.982 170 V HN 0.635 nan 8.190 nan 0.000 0.443 171 K N 3.444 123.849 120.400 0.009 0.000 2.207 171 K HA 0.474 4.794 4.320 -0.000 0.000 0.255 171 K C -0.360 176.241 176.600 0.002 0.000 0.941 171 K CA -0.749 55.546 56.287 0.013 0.000 0.825 171 K CB 1.866 34.368 32.500 0.003 0.000 1.119 171 K HN 0.850 nan 8.250 nan 0.000 0.430 172 N N 0.511 119.220 118.700 0.014 0.000 2.405 172 N HA -0.057 4.683 4.740 -0.000 0.000 0.269 172 N C 0.758 176.268 175.510 -0.000 0.000 1.249 172 N CA -0.246 52.809 53.050 0.008 0.000 0.974 172 N CB 0.260 38.761 38.487 0.023 0.000 1.204 172 N HN 0.588 nan 8.380 nan 0.000 0.565 173 Q N -1.582 118.217 119.800 -0.002 0.000 2.291 173 Q HA -0.098 4.242 4.340 -0.000 0.000 0.206 173 Q C -0.328 175.669 176.000 -0.005 0.000 0.976 173 Q CA 1.352 57.152 55.803 -0.006 0.000 0.875 173 Q CB -0.303 28.431 28.738 -0.006 0.000 0.927 173 Q HN 0.549 nan 8.270 nan 0.000 0.450 174 D N 0.607 121.006 120.400 -0.001 0.000 2.349 174 D HA 0.063 4.703 4.640 -0.000 0.000 0.224 174 D C 0.888 177.184 176.300 -0.006 0.000 1.029 174 D CA 0.970 54.968 54.000 -0.003 0.000 0.879 174 D CB 0.458 41.258 40.800 0.001 0.000 0.906 174 D HN 0.565 nan 8.370 nan 0.000 0.528 175 G N 0.708 109.504 108.800 -0.006 0.000 2.143 175 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.249 175 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.249 175 G C 0.427 175.322 174.900 -0.008 0.000 0.981 175 G CA 0.197 45.291 45.100 -0.010 0.000 0.665 175 G HN 0.610 nan 8.290 nan 0.000 0.528 176 A N -0.361 122.460 122.820 0.002 0.000 2.310 176 A HA 0.780 5.100 4.320 -0.000 0.000 0.299 176 A C 0.504 178.103 177.584 0.026 0.000 1.147 176 A CA -0.131 51.911 52.037 0.009 0.000 0.818 176 A CB 1.418 20.428 19.000 0.018 0.000 1.096 176 A HN 1.104 nan 8.150 nan 0.000 0.495 177 V N 2.585 122.517 119.914 0.031 0.000 2.555 177 V HA 0.265 4.385 4.120 -0.000 0.000 0.286 177 V C 0.856 177.006 176.094 0.094 0.000 1.044 177 V CA 0.546 62.881 62.300 0.058 0.000 1.026 177 V CB 1.175 33.030 31.823 0.054 0.000 0.981 177 V HN 1.040 nan 8.190 nan 0.000 0.480 178 V N 1.782 121.772 119.914 0.128 0.000 2.991 178 V HA 0.877 4.997 4.120 -0.000 0.000 0.355 178 V C 0.457 176.694 176.094 0.237 0.000 1.384 178 V CA 0.459 62.858 62.300 0.166 0.000 1.171 178 V CB -0.354 31.572 31.823 0.171 0.000 1.190 178 V HN 1.317 nan 8.190 nan 0.000 0.540 179 G N -0.237 108.695 108.800 0.219 0.000 2.250 179 G HA2 0.293 4.253 3.960 -0.000 0.000 0.252 179 G HA3 0.293 4.253 3.960 -0.000 0.000 0.252 179 G C -0.552 174.508 174.900 0.268 0.000 1.325 179 G CA 0.376 45.613 45.100 0.229 0.000 1.091 179 G HN 1.876 nan 8.290 nan 0.000 0.476 180 C N -1.800 117.701 119.300 0.334 0.000 3.307 180 C HA 0.910 5.370 4.460 -0.000 0.000 0.333 180 C C 0.239 175.452 174.990 0.372 0.000 1.291 180 C CA 0.256 59.431 59.018 0.263 0.000 1.273 180 C CB 1.100 28.915 27.740 0.125 0.000 1.580 180 C HN 2.049 nan 8.230 nan 0.000 0.481 181 T N 0.360 115.079 114.554 0.276 0.000 2.909 181 T HA 0.781 5.131 4.350 -0.000 0.000 0.286 181 T C -0.046 174.835 174.700 0.301 0.000 1.002 181 T CA 0.274 62.557 62.100 0.304 0.000 1.074 181 T CB 1.356 70.343 68.868 0.199 0.000 0.984 181 T HN 2.191 nan 8.240 nan 0.000 0.495 182 A N 2.133 125.200 122.820 0.413 0.000 2.498 182 A HA 0.765 5.085 4.320 -0.000 0.000 0.298 182 A C -1.162 176.706 177.584 0.474 0.000 1.075 182 A CA -1.029 51.271 52.037 0.438 0.000 0.714 182 A CB 1.625 20.928 19.000 0.505 0.000 1.299 182 A HN 0.993 nan 8.150 nan 0.000 0.407 183 L N 1.569 123.015 121.223 0.371 0.000 2.296 183 L HA 0.621 4.961 4.340 -0.000 0.000 0.286 183 L C -0.227 176.599 176.870 -0.073 0.000 1.023 183 L CA -0.388 54.551 54.840 0.165 0.000 0.812 183 L CB 1.214 43.335 42.059 0.103 0.000 1.223 183 L HN 0.814 nan 8.230 nan 0.000 0.421 184 C N 6.552 125.529 119.300 -0.538 0.000 2.520 184 C HA 0.283 4.743 4.460 -0.000 0.000 0.369 184 C C 1.838 176.450 174.990 -0.630 0.000 1.244 184 C CA -0.475 57.795 59.018 -1.247 0.000 1.677 184 C CB -1.589 25.220 27.740 -1.553 0.000 2.324 184 C HN 0.974 nan 8.230 nan 0.000 0.557 185 I N 3.382 123.627 120.570 -0.541 0.000 2.286 185 I HA -0.152 4.018 4.170 -0.000 0.000 0.248 185 I C 2.539 178.356 176.117 -0.500 0.000 1.115 185 I CA 1.611 62.591 61.300 -0.533 0.000 1.392 185 I CB -0.373 37.227 38.000 -0.667 0.000 1.065 185 I HN 0.820 nan 8.210 nan 0.000 0.418 186 E N 0.786 120.812 120.200 -0.290 0.000 2.051 186 E HA -0.240 4.110 4.350 -0.000 0.000 0.192 186 E C 1.984 178.568 176.600 -0.027 0.000 0.991 186 E CA 2.105 58.516 56.400 0.018 0.000 0.799 186 E CB 0.113 29.869 29.700 0.093 0.000 0.748 186 E HN 0.560 nan 8.360 nan 0.000 0.449 187 T N -4.489 109.991 114.554 -0.122 0.000 3.001 187 T HA 0.325 4.675 4.350 -0.000 0.000 0.251 187 T C 1.412 176.061 174.700 -0.085 0.000 1.040 187 T CA 0.594 62.653 62.100 -0.069 0.000 0.985 187 T CB 0.873 69.712 68.868 -0.049 0.000 1.011 187 T HN 0.329 nan 8.240 nan 0.000 0.509 188 G N 1.530 110.242 108.800 -0.147 0.000 2.179 188 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.260 188 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.260 188 G C -0.133 174.717 174.900 -0.085 0.000 0.977 188 G CA 0.295 45.326 45.100 -0.116 0.000 0.641 188 G HN 0.851 nan 8.290 nan 0.000 0.533 189 E N 0.289 120.431 120.200 -0.097 0.000 2.414 189 E HA 0.378 4.728 4.350 -0.000 0.000 0.263 189 E C 0.026 176.642 176.600 0.026 0.000 1.000 189 E CA -0.206 56.182 56.400 -0.021 0.000 0.914 189 E CB 0.636 30.349 29.700 0.022 0.000 0.948 189 E HN 0.163 nan 8.360 nan 0.000 0.444 190 V N 5.161 125.131 119.914 0.092 0.000 2.435 190 V HA 0.395 4.515 4.120 -0.000 0.000 0.290 190 V C -0.242 175.967 176.094 0.191 0.000 1.030 190 V CA -0.620 61.771 62.300 0.152 0.000 0.881 190 V CB 1.650 33.540 31.823 0.112 0.000 0.983 190 V HN 0.476 nan 8.190 nan 0.000 0.445 191 V N 4.072 124.145 119.914 0.266 0.000 2.925 191 V HA 0.392 4.511 4.120 -0.000 0.000 0.311 191 V C -1.413 174.778 176.094 0.162 0.000 1.104 191 V CA -0.896 61.497 62.300 0.154 0.000 0.954 191 V CB 2.409 34.263 31.823 0.052 0.000 1.022 191 V HN 0.741 nan 8.190 nan 0.000 0.427 192 Y N 3.788 124.037 120.300 -0.086 0.000 2.404 192 Y HA 0.579 5.128 4.550 -0.000 0.000 0.344 192 Y C -0.790 174.997 175.900 -0.189 0.000 0.970 192 Y CA -1.846 56.225 58.100 -0.049 0.000 1.180 192 Y CB 0.651 39.099 38.460 -0.020 0.000 1.138 192 Y HN 0.477 nan 8.280 nan 0.000 0.510 193 F N 6.494 126.338 119.950 -0.176 0.000 2.405 193 F HA 0.277 4.804 4.527 0.000 0.000 0.358 193 F C 0.515 176.003 175.800 -0.520 0.000 1.151 193 F CA -0.344 57.462 58.000 -0.323 0.000 1.161 193 F CB 0.503 39.358 39.000 -0.242 0.000 1.245 193 F HN 0.380 nan 8.300 nan 0.000 0.545 194 K N 3.245 123.254 120.400 -0.652 0.000 2.234 194 K HA 0.790 5.110 4.320 -0.000 0.000 0.282 194 K C -0.874 175.649 176.600 -0.128 0.000 1.039 194 K CA -0.309 55.623 56.287 -0.592 0.000 0.928 194 K CB 0.859 32.973 32.500 -0.643 0.000 1.039 194 K HN 0.686 nan 8.250 nan 0.000 0.470 195 A N 3.814 126.626 122.820 -0.013 0.000 2.609 195 A HA 0.394 4.714 4.320 -0.000 0.000 0.291 195 A C -0.326 177.297 177.584 0.065 0.000 1.096 195 A CA -0.870 51.196 52.037 0.049 0.000 0.684 195 A CB 1.536 20.577 19.000 0.068 0.000 1.282 195 A HN 0.890 nan 8.150 nan 0.000 0.412 196 R N -0.054 120.482 120.500 0.061 0.000 2.173 196 R HA 0.406 4.746 4.340 -0.000 0.000 0.208 196 R C 0.530 176.903 176.300 0.122 0.000 1.035 196 R CA 1.334 57.482 56.100 0.079 0.000 1.004 196 R CB 0.381 30.715 30.300 0.057 0.000 0.917 196 R HN 0.814 nan 8.270 nan 0.000 0.462 197 A N 0.456 123.319 122.820 0.072 0.000 2.353 197 A HA 0.490 4.810 4.320 -0.000 0.000 0.299 197 A C -0.924 176.687 177.584 0.046 0.000 1.089 197 A CA -0.543 51.539 52.037 0.075 0.000 0.736 197 A CB 1.426 20.237 19.000 -0.316 0.000 1.195 197 A HN -0.006 nan 8.150 nan 0.000 0.447 198 T N 2.327 116.988 114.554 0.179 0.000 2.756 198 T HA 0.491 4.841 4.350 -0.000 0.000 0.290 198 T C -0.473 174.321 174.700 0.157 0.000 0.985 198 T CA -0.197 61.968 62.100 0.109 0.000 0.955 198 T CB 0.867 69.800 68.868 0.109 0.000 0.930 198 T HN 0.446 nan 8.240 nan 0.000 0.451 199 V N 5.691 125.633 119.914 0.047 0.000 2.313 199 V HA 0.344 4.464 4.120 -0.000 0.000 0.278 199 V C 0.152 176.259 176.094 0.021 0.000 1.017 199 V CA -0.850 61.491 62.300 0.068 0.000 0.823 199 V CB 1.023 32.828 31.823 -0.030 0.000 1.010 199 V HN 0.788 nan 8.190 nan 0.000 0.443 200 L N 4.287 125.534 121.223 0.040 0.000 2.410 200 L HA 0.499 4.839 4.340 -0.000 0.000 0.273 200 L C 0.804 177.674 176.870 -0.001 0.000 1.144 200 L CA 0.183 55.024 54.840 0.000 0.000 0.863 200 L CB 1.021 43.080 42.059 -0.001 0.000 1.140 200 L HN 0.785 nan 8.230 nan 0.000 0.463 201 A N 1.148 123.955 122.820 -0.022 0.000 2.843 201 A HA 0.198 4.518 4.320 -0.000 0.000 0.248 201 A C 0.899 178.470 177.584 -0.023 0.000 0.904 201 A CA -0.066 51.964 52.037 -0.013 0.000 1.091 201 A CB -0.099 18.892 19.000 -0.015 0.000 1.208 201 A HN 0.737 nan 8.150 nan 0.000 0.476 202 T N -3.284 111.251 114.554 -0.032 0.000 3.129 202 T HA 0.449 4.799 4.350 -0.000 0.000 0.251 202 T C 1.285 175.970 174.700 -0.025 0.000 1.117 202 T CA 1.053 63.130 62.100 -0.039 0.000 1.034 202 T CB -0.159 68.676 68.868 -0.056 0.000 0.968 202 T HN 2.052 nan 8.240 nan 0.000 0.526 203 G N 0.304 109.091 108.800 -0.021 0.000 2.642 203 G HA2 0.186 4.146 3.960 -0.000 0.000 0.231 203 G HA3 0.186 4.146 3.960 -0.000 0.000 0.231 203 G C 0.187 175.048 174.900 -0.065 0.000 1.338 203 G CA -0.463 44.624 45.100 -0.021 0.000 0.883 203 G HN 0.895 nan 8.290 nan 0.000 0.570 204 G N -1.839 106.912 108.800 -0.081 0.000 2.509 204 G HA2 0.721 4.681 3.960 -0.000 0.000 0.269 204 G HA3 0.721 4.681 3.960 -0.000 0.000 0.269 204 G C 0.597 175.493 174.900 -0.006 0.000 1.416 204 G CA 0.966 45.998 45.100 -0.113 0.000 1.052 204 G HN 2.215 nan 8.290 nan 0.000 0.542 205 A N -1.486 121.412 122.820 0.131 0.000 2.602 205 A HA 0.532 4.852 4.320 -0.000 0.000 0.238 205 A C 1.544 179.246 177.584 0.197 0.000 0.863 205 A CA 0.910 53.067 52.037 0.199 0.000 1.148 205 A CB -0.004 19.168 19.000 0.286 0.000 1.227 205 A HN 1.260 nan 8.150 nan 0.000 0.460 206 G N 0.437 109.308 108.800 0.119 0.000 2.499 206 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.221 206 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.221 206 G C 1.295 176.173 174.900 -0.036 0.000 1.109 206 G CA 0.585 45.686 45.100 0.002 0.000 0.749 206 G HN 0.406 nan 8.290 nan 0.000 0.568 207 R N 0.587 121.062 120.500 -0.041 0.000 2.357 207 R HA 0.025 4.365 4.340 -0.000 0.000 0.202 207 R C 2.303 178.565 176.300 -0.064 0.000 1.047 207 R CA 0.481 56.555 56.100 -0.044 0.000 1.034 207 R CB -0.558 29.724 30.300 -0.030 0.000 0.875 207 R HN 0.769 nan 8.270 nan 0.000 0.473 208 I N -3.396 117.095 120.570 -0.131 0.000 3.111 208 I HA -0.028 4.142 4.170 -0.000 0.000 0.272 208 I C 0.095 175.963 176.117 -0.415 0.000 1.268 208 I CA 0.487 61.623 61.300 -0.272 0.000 1.467 208 I CB -0.173 37.598 38.000 -0.381 0.000 1.087 208 I HN -0.201 nan 8.210 nan 0.000 0.467 209 Y N 0.986 121.166 120.300 -0.200 0.000 2.488 209 Y HA 0.292 4.842 4.550 -0.000 0.000 0.325 209 Y C 1.564 177.433 175.900 -0.051 0.000 1.204 209 Y CA -0.367 57.663 58.100 -0.117 0.000 1.229 209 Y CB 0.943 39.323 38.460 -0.134 0.000 1.274 209 Y HN -0.134 nan 8.280 nan 0.000 0.493 210 Q N 0.151 120.055 119.800 0.173 0.000 2.123 210 Q HA -0.024 4.316 4.340 -0.000 0.000 0.199 210 Q C -0.046 176.015 176.000 0.102 0.000 0.966 210 Q CA 0.815 56.686 55.803 0.113 0.000 0.845 210 Q CB 0.306 29.125 28.738 0.135 0.000 0.907 210 Q HN 0.482 nan 8.270 nan 0.000 0.439 211 S N -0.493 115.285 115.700 0.131 0.000 2.561 211 S HA 0.487 4.957 4.470 -0.000 0.000 0.303 211 S C -1.089 173.543 174.600 0.053 0.000 1.110 211 S CA -0.507 57.739 58.200 0.077 0.000 1.034 211 S CB 1.813 65.066 63.200 0.088 0.000 1.010 211 S HN 0.180 nan 8.310 nan 0.000 0.482 212 T N 1.219 115.771 114.554 -0.003 0.000 2.894 212 T HA 0.448 4.798 4.350 -0.000 0.000 0.309 212 T C 1.153 175.830 174.700 -0.038 0.000 1.208 212 T CA 0.089 62.169 62.100 -0.034 0.000 1.016 212 T CB 1.398 70.231 68.868 -0.059 0.000 1.192 212 T HN 0.714 nan 8.240 nan 0.000 0.491 213 T N 0.603 115.164 114.554 0.012 0.000 3.085 213 T HA 0.165 4.515 4.350 -0.000 0.000 0.263 213 T C 0.642 175.356 174.700 0.024 0.000 1.127 213 T CA 0.253 62.385 62.100 0.053 0.000 1.103 213 T CB -0.605 68.402 68.868 0.232 0.000 0.921 213 T HN 0.582 nan 8.240 nan 0.000 0.510 214 N N 1.542 120.165 118.700 -0.128 0.000 2.525 214 N HA 0.479 5.219 4.740 -0.000 0.000 0.271 214 N C 0.224 175.557 175.510 -0.295 0.000 1.194 214 N CA -0.455 52.347 53.050 -0.413 0.000 0.964 214 N CB 0.719 38.969 38.487 -0.393 0.000 1.126 214 N HN 0.436 nan 8.380 nan 0.000 0.452 215 A N 1.248 123.889 122.820 -0.298 0.000 2.475 215 A HA -0.083 4.237 4.320 -0.000 0.000 0.239 215 A C 1.066 178.578 177.584 -0.119 0.000 1.087 215 A CA 0.078 52.074 52.037 -0.069 0.000 0.779 215 A CB 0.054 19.124 19.000 0.116 0.000 1.036 215 A HN 0.800 nan 8.150 nan 0.000 0.506 216 H N 0.887 119.963 119.070 0.008 0.000 2.489 216 H HA -0.146 4.410 4.556 -0.000 0.000 0.295 216 H C 1.700 177.032 175.328 0.007 0.000 1.082 216 H CA 2.162 58.214 56.048 0.007 0.000 1.295 216 H CB -0.097 29.678 29.762 0.021 0.000 1.380 216 H HN 0.744 nan 8.280 nan 0.000 0.548 217 I N -1.390 119.249 120.570 0.116 0.000 3.684 217 I HA 0.042 4.212 4.170 -0.000 0.000 0.304 217 I C -0.188 175.957 176.117 0.046 0.000 1.278 217 I CA 0.144 61.499 61.300 0.092 0.000 1.272 217 I CB -0.134 37.927 38.000 0.101 0.000 1.029 217 I HN -0.183 nan 8.210 nan 0.000 0.458 218 N N 2.647 121.341 118.700 -0.009 0.000 2.739 218 N HA 0.091 4.831 4.740 -0.000 0.000 0.266 218 N C 0.761 176.269 175.510 -0.002 0.000 1.168 218 N CA 0.444 53.470 53.050 -0.040 0.000 1.055 218 N CB 0.344 38.743 38.487 -0.146 0.000 1.393 218 N HN 0.436 nan 8.380 nan 0.000 0.514 219 T N -3.081 111.490 114.554 0.028 0.000 3.091 219 T HA 0.282 4.632 4.350 -0.000 0.000 0.277 219 T C 1.120 175.851 174.700 0.051 0.000 0.996 219 T CA -0.069 62.057 62.100 0.044 0.000 0.897 219 T CB 0.149 69.056 68.868 0.065 0.000 1.109 219 T HN 0.336 nan 8.240 nan 0.000 0.534 220 G N 2.097 110.923 108.800 0.043 0.000 2.198 220 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.257 220 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.257 220 G C 0.396 175.315 174.900 0.031 0.000 1.042 220 G CA 0.253 45.378 45.100 0.042 0.000 0.791 220 G HN 0.479 nan 8.290 nan 0.000 0.502 221 D N 0.195 120.608 120.400 0.022 0.000 2.123 221 D HA -0.077 4.563 4.640 -0.000 0.000 0.196 221 D C 2.467 178.760 176.300 -0.013 0.000 0.992 221 D CA 1.804 55.809 54.000 0.008 0.000 0.833 221 D CB -0.688 40.081 40.800 -0.052 0.000 0.954 221 D HN 0.588 nan 8.370 nan 0.000 0.455 222 G N 0.402 109.187 108.800 -0.026 0.000 2.422 222 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.218 222 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.218 222 G C 1.828 176.724 174.900 -0.008 0.000 1.140 222 G CA 0.604 45.689 45.100 -0.025 0.000 0.775 222 G HN 0.238 nan 8.290 nan 0.000 0.545 223 V N 1.442 121.356 119.914 -0.001 0.000 2.270 223 V HA -0.029 4.091 4.120 -0.000 0.000 0.245 223 V C 3.144 179.259 176.094 0.036 0.000 1.043 223 V CA 2.004 64.311 62.300 0.012 0.000 1.014 223 V CB -1.077 30.753 31.823 0.012 0.000 0.645 223 V HN 0.405 nan 8.190 nan 0.000 0.447 224 G N -0.848 107.978 108.800 0.044 0.000 2.418 224 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.217 224 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.217 224 G C 1.653 176.587 174.900 0.056 0.000 1.158 224 G CA 1.096 46.232 45.100 0.060 0.000 0.771 224 G HN 0.399 nan 8.290 nan 0.000 0.545 225 M N 0.627 120.250 119.600 0.039 0.000 2.117 225 M HA -0.015 4.465 4.480 -0.000 0.000 0.262 225 M C 3.061 179.379 176.300 0.031 0.000 1.065 225 M CA 1.424 56.744 55.300 0.033 0.000 1.114 225 M CB -0.208 32.398 32.600 0.011 0.000 1.361 225 M HN 0.334 nan 8.290 nan 0.000 0.408 226 A N 0.590 123.425 122.820 0.025 0.000 1.858 226 A HA -0.163 4.157 4.320 -0.000 0.000 0.216 226 A C 2.038 179.644 177.584 0.037 0.000 1.190 226 A CA 1.570 53.620 52.037 0.022 0.000 0.617 226 A CB -0.953 18.054 19.000 0.013 0.000 0.827 226 A HN 0.441 nan 8.150 nan 0.000 0.443 227 I N -0.829 119.779 120.570 0.064 0.000 2.163 227 I HA -0.293 3.877 4.170 -0.000 0.000 0.243 227 I C 2.739 178.897 176.117 0.068 0.000 1.085 227 I CA 1.549 62.908 61.300 0.099 0.000 1.347 227 I CB -0.278 37.818 38.000 0.160 0.000 1.044 227 I HN 0.286 nan 8.210 nan 0.000 0.408 228 R N 0.401 120.936 120.500 0.057 0.000 2.189 228 R HA -0.040 4.300 4.340 -0.000 0.000 0.223 228 R C 1.959 178.274 176.300 0.026 0.000 1.092 228 R CA 1.082 57.207 56.100 0.041 0.000 0.989 228 R CB -0.237 30.091 30.300 0.046 0.000 0.876 228 R HN 0.337 nan 8.270 nan 0.000 0.457 229 A N 0.000 122.834 122.820 0.023 0.000 2.251 229 A HA 0.235 4.555 4.320 -0.000 0.000 0.209 229 A C 1.328 178.911 177.584 -0.001 0.000 1.187 229 A CA 0.655 52.698 52.037 0.011 0.000 0.823 229 A CB -0.003 19.005 19.000 0.012 0.000 0.846 229 A HN 0.409 nan 8.150 nan 0.000 0.486 230 G N -1.464 107.335 108.800 -0.001 0.000 2.143 230 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.249 230 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.249 230 G C 0.144 175.028 174.900 -0.027 0.000 0.981 230 G CA 0.199 45.287 45.100 -0.020 0.000 0.665 230 G HN 0.785 nan 8.290 nan 0.000 0.528 231 V N 2.908 122.814 119.914 -0.013 0.000 2.465 231 V HA 0.471 4.591 4.120 -0.000 0.000 0.279 231 V C -0.999 175.090 176.094 -0.007 0.000 1.045 231 V CA -1.331 60.957 62.300 -0.021 0.000 0.938 231 V CB 1.498 33.308 31.823 -0.021 0.000 0.986 231 V HN 0.225 nan 8.190 nan 0.000 0.467 232 P HA 0.338 nan 4.420 nan 0.000 0.274 232 P C -0.792 176.526 177.300 0.030 0.000 1.256 232 P CA -0.082 63.017 63.100 -0.001 0.000 0.795 232 P CB 1.305 32.983 31.700 -0.036 0.000 1.038 233 V N -2.517 117.450 119.914 0.088 0.000 3.074 233 V HA 0.663 4.783 4.120 -0.000 0.000 0.314 233 V C -0.650 175.467 176.094 0.039 0.000 1.117 233 V CA -1.000 61.327 62.300 0.045 0.000 1.014 233 V CB 1.597 33.445 31.823 0.043 0.000 1.057 233 V HN 0.586 nan 8.190 nan 0.000 0.438 234 Q N 0.056 119.848 119.800 -0.013 0.000 2.375 234 Q HA 0.425 4.764 4.340 -0.000 0.000 0.271 234 Q C -0.868 175.128 176.000 -0.007 0.000 1.074 234 Q CA -0.374 55.425 55.803 -0.007 0.000 0.808 234 Q CB 1.737 30.428 28.738 -0.079 0.000 1.327 234 Q HN 0.957 nan 8.270 nan 0.000 0.441 235 D N 2.909 123.340 120.400 0.051 0.000 2.811 235 D HA -0.204 4.436 4.640 -0.000 0.000 0.231 235 D C 0.675 176.946 176.300 -0.050 0.000 1.157 235 D CA 0.728 54.752 54.000 0.040 0.000 0.716 235 D CB -0.202 40.647 40.800 0.082 0.000 1.077 235 D HN 0.654 nan 8.370 nan 0.000 0.428 236 M N -0.261 119.306 119.600 -0.055 0.000 2.446 236 M HA -0.140 4.340 4.480 -0.000 0.000 0.263 236 M C 2.079 178.366 176.300 -0.022 0.000 1.066 236 M CA 1.278 56.521 55.300 -0.094 0.000 1.087 236 M CB -0.480 32.077 32.600 -0.071 0.000 1.406 236 M HN 0.286 nan 8.290 nan 0.000 0.459 237 E N -0.565 119.638 120.200 0.004 0.000 2.427 237 E HA -0.080 4.270 4.350 -0.000 0.000 0.196 237 E C 0.256 176.960 176.600 0.173 0.000 1.028 237 E CA 0.381 56.841 56.400 0.100 0.000 0.864 237 E CB -0.223 29.409 29.700 -0.114 0.000 0.813 237 E HN 0.295 nan 8.360 nan 0.000 0.514 238 M N 1.363 120.971 119.600 0.013 0.000 2.725 238 M HA 0.194 4.674 4.480 -0.000 0.000 0.322 238 M C -1.277 174.960 176.300 -0.105 0.000 1.393 238 M CA -0.009 55.306 55.300 0.024 0.000 1.452 238 M CB -1.274 31.324 32.600 -0.002 0.000 1.242 238 M HN 0.066 nan 8.290 nan 0.000 0.487 239 W N 1.966 123.329 121.300 0.105 0.000 2.417 239 W HA 0.404 5.064 4.660 -0.000 0.000 0.315 239 W C 0.474 176.966 176.519 -0.045 0.000 1.045 239 W CA -0.498 56.837 57.345 -0.018 0.000 1.221 239 W CB 1.011 30.434 29.460 -0.062 0.000 1.309 239 W HN 0.465 nan 8.180 nan 0.000 0.453 240 Q N 3.483 123.366 119.800 0.139 0.000 2.295 240 Q HA 0.267 4.607 4.340 -0.000 0.000 0.259 240 Q C -1.152 174.813 176.000 -0.058 0.000 0.976 240 Q CA -0.285 55.599 55.803 0.136 0.000 0.923 240 Q CB 0.461 29.319 28.738 0.200 0.000 1.185 240 Q HN 0.391 nan 8.270 nan 0.000 0.410 241 F N 3.859 123.871 119.950 0.102 0.000 2.390 241 F HA 0.154 4.681 4.527 -0.000 0.000 0.361 241 F C 0.721 176.552 175.800 0.051 0.000 1.124 241 F CA -0.637 57.395 58.000 0.052 0.000 1.149 241 F CB 0.486 39.457 39.000 -0.050 0.000 1.160 241 F HN 0.561 nan 8.300 nan 0.000 0.501 242 H N 6.006 125.113 119.070 0.061 0.000 2.964 242 H HA 0.049 4.605 4.556 -0.000 0.000 0.328 242 H C -1.717 173.587 175.328 -0.039 0.000 1.030 242 H CA -1.484 54.507 56.048 -0.095 0.000 1.445 242 H CB 1.613 31.148 29.762 -0.378 0.000 1.449 242 H HN 0.328 nan 8.280 nan 0.000 0.581 243 P HA -0.072 nan 4.420 nan 0.000 0.220 243 P C 0.440 177.824 177.300 0.140 0.000 1.148 243 P CA 1.347 64.472 63.100 0.040 0.000 0.803 243 P CB 0.218 31.873 31.700 -0.076 0.000 0.782 244 T N -3.471 111.276 114.554 0.321 0.000 3.532 244 T HA 0.570 4.920 4.350 -0.000 0.000 0.241 244 T C 0.508 175.191 174.700 -0.028 0.000 1.238 244 T CA -0.812 61.357 62.100 0.115 0.000 1.405 244 T CB -0.249 68.662 68.868 0.071 0.000 0.971 244 T HN -0.025 nan 8.240 nan 0.000 0.640 245 G N 1.263 110.052 108.800 -0.019 0.000 2.503 245 G HA2 0.561 4.521 3.960 -0.000 0.000 0.257 245 G HA3 0.561 4.521 3.960 -0.000 0.000 0.257 245 G C 0.028 174.905 174.900 -0.038 0.000 1.214 245 G CA -0.980 44.084 45.100 -0.061 0.000 0.839 245 G HN 0.731 nan 8.290 nan 0.000 0.559 246 I N 1.554 122.094 120.570 -0.050 0.000 2.598 246 I HA 0.131 4.301 4.170 -0.000 0.000 0.284 246 I C 1.300 177.411 176.117 -0.010 0.000 1.140 246 I CA -0.099 61.177 61.300 -0.041 0.000 1.420 246 I CB 0.818 38.813 38.000 -0.008 0.000 1.387 246 I HN 0.522 nan 8.210 nan 0.000 0.553 247 A N 5.245 128.045 122.820 -0.034 0.000 2.524 247 A HA 0.405 4.725 4.320 -0.000 0.000 0.250 247 A C 1.330 178.985 177.584 0.118 0.000 1.078 247 A CA 0.539 52.598 52.037 0.037 0.000 0.761 247 A CB -0.269 18.733 19.000 0.003 0.000 1.012 247 A HN 1.228 nan 8.150 nan 0.000 0.500 248 G N 0.835 109.708 108.800 0.122 0.000 2.205 248 G HA2 -0.010 3.949 3.960 -0.000 0.000 0.261 248 G HA3 -0.010 3.949 3.960 -0.000 0.000 0.261 248 G C 0.864 175.826 174.900 0.104 0.000 0.980 248 G CA 1.150 46.327 45.100 0.129 0.000 0.632 248 G HN 2.073 nan 8.290 nan 0.000 0.533 249 A N -1.609 121.258 122.820 0.077 0.000 2.140 249 A HA 0.654 4.974 4.320 -0.000 0.000 0.199 249 A C 2.644 180.201 177.584 -0.045 0.000 1.416 249 A CA 1.896 53.952 52.037 0.032 0.000 1.018 249 A CB -0.089 18.944 19.000 0.055 0.000 1.117 249 A HN 2.313 nan 8.150 nan 0.000 0.480 250 G N -0.821 107.961 108.800 -0.031 0.000 2.320 250 G HA2 -0.232 3.727 3.960 -0.000 0.000 0.242 250 G HA3 -0.232 3.727 3.960 -0.000 0.000 0.242 250 G C 0.418 175.263 174.900 -0.092 0.000 1.033 250 G CA 0.178 45.249 45.100 -0.047 0.000 0.620 250 G HN 0.999 nan 8.290 nan 0.000 0.517 251 V N 2.383 122.195 119.914 -0.170 0.000 2.617 251 V HA 0.341 4.461 4.120 -0.000 0.000 0.304 251 V C 1.112 177.129 176.094 -0.128 0.000 1.040 251 V CA 0.361 62.537 62.300 -0.207 0.000 1.149 251 V CB 1.272 32.844 31.823 -0.418 0.000 0.914 251 V HN 0.627 nan 8.190 nan 0.000 0.487 252 L N 7.762 128.916 121.223 -0.115 0.000 2.410 252 L HA 0.397 4.737 4.340 -0.000 0.000 0.273 252 L C 0.002 176.787 176.870 -0.142 0.000 1.152 252 L CA 0.419 55.154 54.840 -0.176 0.000 0.855 252 L CB 1.093 43.045 42.059 -0.178 0.000 1.129 252 L HN 0.571 nan 8.230 nan 0.000 0.463 253 V N 2.201 122.015 119.914 -0.167 0.000 2.384 253 V HA 0.444 4.564 4.120 -0.000 0.000 0.287 253 V C 0.417 176.441 176.094 -0.117 0.000 1.020 253 V CA -0.464 61.775 62.300 -0.100 0.000 0.850 253 V CB 0.791 32.580 31.823 -0.057 0.000 0.987 253 V HN 0.905 nan 8.190 nan 0.000 0.436 254 T N 2.115 116.640 114.554 -0.049 0.000 2.939 254 T HA -0.021 4.329 4.350 -0.000 0.000 0.319 254 T C 1.052 175.760 174.700 0.013 0.000 1.082 254 T CA 1.087 63.198 62.100 0.019 0.000 1.133 254 T CB 0.509 69.451 68.868 0.124 0.000 1.019 254 T HN 1.102 nan 8.240 nan 0.000 0.548 255 E N 2.282 122.467 120.200 -0.024 0.000 2.401 255 E HA -0.063 4.287 4.350 -0.000 0.000 0.199 255 E C 2.007 178.383 176.600 -0.374 0.000 1.023 255 E CA 1.041 57.245 56.400 -0.326 0.000 0.859 255 E CB -0.705 28.521 29.700 -0.790 0.000 0.780 255 E HN 0.919 nan 8.360 nan 0.000 0.523 256 G N 0.135 108.911 108.800 -0.039 0.000 2.470 256 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.220 256 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.220 256 G C 1.546 176.495 174.900 0.081 0.000 1.121 256 G CA 0.809 46.032 45.100 0.204 0.000 0.766 256 G HN 0.394 nan 8.290 nan 0.000 0.553 257 C N -0.024 119.287 119.300 0.019 0.000 2.429 257 C HA 0.023 4.483 4.460 -0.000 0.000 0.277 257 C C 2.959 177.943 174.990 -0.010 0.000 1.262 257 C CA 0.801 59.818 59.018 -0.001 0.000 1.733 257 C CB -0.758 26.968 27.740 -0.023 0.000 2.010 257 C HN 0.444 nan 8.230 nan 0.000 0.483 258 R N 0.617 121.092 120.500 -0.042 0.000 2.119 258 R HA 0.060 4.400 4.340 -0.000 0.000 0.222 258 R C 2.453 178.751 176.300 -0.003 0.000 1.088 258 R CA 1.222 57.305 56.100 -0.027 0.000 0.984 258 R CB -0.678 29.575 30.300 -0.079 0.000 0.884 258 R HN 0.576 nan 8.270 nan 0.000 0.447 259 G N 0.851 109.642 108.800 -0.015 0.000 2.432 259 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.219 259 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.219 259 G C 1.082 176.038 174.900 0.094 0.000 1.135 259 G CA 0.508 45.646 45.100 0.064 0.000 0.767 259 G HN 0.206 nan 8.290 nan 0.000 0.550 260 E N 0.051 120.304 120.200 0.088 0.000 2.489 260 E HA 0.170 4.520 4.350 -0.000 0.000 0.193 260 E C 1.759 178.397 176.600 0.062 0.000 1.057 260 E CA 0.626 57.078 56.400 0.086 0.000 0.866 260 E CB 0.336 30.082 29.700 0.076 0.000 0.916 260 E HN 0.485 nan 8.360 nan 0.000 0.500 261 G N 0.714 109.563 108.800 0.081 0.000 2.205 261 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.180 261 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.180 261 G C 0.646 175.705 174.900 0.265 0.000 1.004 261 G CA -0.280 44.912 45.100 0.154 0.000 0.670 261 G HN 0.451 nan 8.290 nan 0.000 0.496 262 G N 0.016 108.888 108.800 0.120 0.000 2.594 262 G HA2 0.671 4.631 3.960 -0.000 0.000 0.243 262 G HA3 0.671 4.631 3.960 -0.000 0.000 0.243 262 G C -0.233 174.753 174.900 0.143 0.000 1.229 262 G CA 0.407 45.561 45.100 0.091 0.000 0.843 262 G HN 1.439 nan 8.290 nan 0.000 0.578 263 Y N -1.592 118.737 120.300 0.047 0.000 2.655 263 Y HA 0.680 5.230 4.550 -0.000 0.000 0.336 263 Y C -0.824 175.018 175.900 -0.097 0.000 1.154 263 Y CA -1.757 56.309 58.100 -0.057 0.000 1.055 263 Y CB 1.085 39.495 38.460 -0.084 0.000 1.295 263 Y HN 0.422 nan 8.280 nan 0.000 0.465 264 L N 2.900 124.123 121.223 -0.000 0.000 2.312 264 L HA 0.571 4.911 4.340 -0.000 0.000 0.281 264 L C -0.611 176.200 176.870 -0.099 0.000 1.070 264 L CA -0.516 54.244 54.840 -0.133 0.000 0.805 264 L CB 1.072 42.939 42.059 -0.319 0.000 1.174 264 L HN 0.546 nan 8.230 nan 0.000 0.434 265 L N 2.613 123.888 121.223 0.087 0.000 2.370 265 L HA 0.500 4.840 4.340 -0.000 0.000 0.266 265 L C -0.337 176.752 176.870 0.366 0.000 1.002 265 L CA -0.908 54.061 54.840 0.216 0.000 0.818 265 L CB 2.020 44.168 42.059 0.148 0.000 1.325 265 L HN 0.682 nan 8.230 nan 0.000 0.418 266 N N 1.373 120.315 118.700 0.403 0.000 2.593 266 N HA 0.160 4.900 4.740 -0.000 0.000 0.304 266 N C 0.452 175.984 175.510 0.036 0.000 1.296 266 N CA -0.759 52.402 53.050 0.186 0.000 0.950 266 N CB 0.296 38.840 38.487 0.095 0.000 1.127 266 N HN 0.586 nan 8.380 nan 0.000 0.587 267 K N -1.167 119.156 120.400 -0.129 0.000 2.362 267 K HA -0.103 4.217 4.320 -0.000 0.000 0.200 267 K C 0.196 176.671 176.600 -0.209 0.000 1.046 267 K CA 1.209 57.371 56.287 -0.208 0.000 0.952 267 K CB -0.492 31.815 32.500 -0.323 0.000 0.753 267 K HN 0.614 nan 8.250 nan 0.000 0.466 268 H N -0.255 118.846 119.070 0.051 0.000 2.529 268 H HA 0.200 4.756 4.556 -0.000 0.000 0.277 268 H C 0.736 176.102 175.328 0.065 0.000 1.004 268 H CA 0.117 56.195 56.048 0.050 0.000 1.167 268 H CB 0.940 30.728 29.762 0.043 0.000 1.445 268 H HN 0.529 nan 8.280 nan 0.000 0.554 269 G N 1.377 110.273 108.800 0.161 0.000 2.168 269 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.257 269 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.257 269 G C 0.104 175.101 174.900 0.161 0.000 0.997 269 G CA 0.363 45.550 45.100 0.145 0.000 0.708 269 G HN 0.560 nan 8.290 nan 0.000 0.520 270 E N 0.108 120.431 120.200 0.204 0.000 2.316 270 E HA 0.271 4.621 4.350 -0.000 0.000 0.275 270 E C 0.792 177.518 176.600 0.211 0.000 1.029 270 E CA -0.775 55.739 56.400 0.191 0.000 0.871 270 E CB 0.293 30.120 29.700 0.212 0.000 1.022 270 E HN 0.338 nan 8.360 nan 0.000 0.418 271 R N 5.562 126.114 120.500 0.087 0.000 3.247 271 R HA 0.027 4.367 4.340 -0.000 0.000 0.212 271 R C 0.615 176.890 176.300 -0.041 0.000 1.604 271 R CA -0.132 55.950 56.100 -0.030 0.000 1.279 271 R CB -0.519 29.676 30.300 -0.176 0.000 1.277 271 R HN 0.541 nan 8.270 nan 0.000 0.669 272 F N 1.222 121.246 119.950 0.123 0.000 2.451 272 F HA -0.067 4.460 4.527 -0.000 0.000 0.299 272 F C 1.261 177.208 175.800 0.245 0.000 1.101 272 F CA 0.215 58.319 58.000 0.173 0.000 1.436 272 F CB -0.203 38.953 39.000 0.261 0.000 1.074 272 F HN 0.242 nan 8.300 nan 0.000 0.553 273 M N 1.067 120.612 119.600 -0.092 0.000 2.460 273 M HA -0.093 4.387 4.480 -0.000 0.000 0.263 273 M C 1.806 178.163 176.300 0.093 0.000 1.071 273 M CA 0.941 56.292 55.300 0.086 0.000 1.096 273 M CB -1.215 31.326 32.600 -0.099 0.000 1.408 273 M HN 0.412 nan 8.290 nan 0.000 0.463 274 E N -0.257 119.958 120.200 0.025 0.000 2.153 274 E HA -0.197 4.153 4.350 -0.000 0.000 0.194 274 E C 2.169 178.787 176.600 0.030 0.000 0.988 274 E CA 0.855 57.260 56.400 0.008 0.000 0.811 274 E CB -0.078 29.601 29.700 -0.034 0.000 0.746 274 E HN 0.472 nan 8.360 nan 0.000 0.466 275 R N -0.270 120.256 120.500 0.042 0.000 2.062 275 R HA -0.090 4.250 4.340 -0.000 0.000 0.226 275 R C 1.760 178.029 176.300 -0.051 0.000 1.125 275 R CA 1.095 57.166 56.100 -0.048 0.000 0.966 275 R CB 0.029 30.239 30.300 -0.150 0.000 0.861 275 R HN 0.176 nan 8.270 nan 0.000 0.433 276 Y N -1.106 119.265 120.300 0.118 0.000 2.475 276 Y HA 0.229 4.779 4.550 -0.000 0.000 0.289 276 Y C 0.487 176.452 175.900 0.108 0.000 1.121 276 Y CA 0.573 58.746 58.100 0.123 0.000 1.257 276 Y CB 0.632 39.193 38.460 0.168 0.000 1.026 276 Y HN 0.061 nan 8.280 nan 0.000 0.555 277 A N -0.472 122.491 122.820 0.238 0.000 2.984 277 A HA 0.428 4.748 4.320 -0.000 0.000 0.320 277 A C -2.265 175.387 177.584 0.114 0.000 1.142 277 A CA -1.108 51.038 52.037 0.182 0.000 0.772 277 A CB 0.370 19.481 19.000 0.185 0.000 1.195 277 A HN -0.042 nan 8.150 nan 0.000 0.459 278 P HA -0.132 nan 4.420 nan 0.000 0.218 278 P C 1.178 178.501 177.300 0.038 0.000 1.149 278 P CA 1.250 64.377 63.100 0.044 0.000 0.817 278 P CB 0.352 32.070 31.700 0.030 0.000 0.785 279 N N -0.421 118.314 118.700 0.058 0.000 2.124 279 N HA -0.035 4.705 4.740 -0.000 0.000 0.188 279 N C 1.697 177.241 175.510 0.056 0.000 1.045 279 N CA 1.629 54.710 53.050 0.050 0.000 0.846 279 N CB -0.984 37.538 38.487 0.058 0.000 1.020 279 N HN 0.031 nan 8.380 nan 0.000 0.432 280 A N 0.590 123.470 122.820 0.099 0.000 2.132 280 A HA 0.061 4.381 4.320 -0.000 0.000 0.213 280 A C 0.916 178.513 177.584 0.021 0.000 1.154 280 A CA 0.404 52.487 52.037 0.076 0.000 0.753 280 A CB -0.023 19.061 19.000 0.139 0.000 0.826 280 A HN 0.308 nan 8.150 nan 0.000 0.469 281 K N -1.259 119.158 120.400 0.029 0.000 1.699 281 K HA -0.293 4.027 4.320 -0.000 0.000 0.127 281 K C 0.323 176.899 176.600 -0.041 0.000 1.157 281 K CA 1.974 58.259 56.287 -0.004 0.000 0.341 281 K CB -1.369 31.111 32.500 -0.033 0.000 0.645 281 K HN 0.377 nan 8.250 nan 0.000 0.848 282 D N 0.948 121.310 120.400 -0.063 0.000 2.378 282 D HA 0.042 4.682 4.640 -0.000 0.000 0.227 282 D C 0.873 177.107 176.300 -0.111 0.000 1.012 282 D CA 0.724 54.671 54.000 -0.088 0.000 0.905 282 D CB 0.016 40.784 40.800 -0.054 0.000 0.895 282 D HN 0.193 nan 8.370 nan 0.000 0.532 283 L N 0.199 121.362 121.223 -0.100 0.000 2.872 283 L HA 0.394 4.734 4.340 -0.000 0.000 0.245 283 L C 0.863 177.620 176.870 -0.189 0.000 1.211 283 L CA -0.627 54.134 54.840 -0.131 0.000 1.013 283 L CB 0.048 42.066 42.059 -0.069 0.000 1.326 283 L HN -0.026 nan 8.230 nan 0.000 0.525 284 A N 0.204 122.884 122.820 -0.234 0.000 2.387 284 A HA 0.444 4.764 4.320 -0.000 0.000 0.251 284 A C 0.987 178.145 177.584 -0.711 0.000 1.113 284 A CA 0.349 52.081 52.037 -0.508 0.000 0.794 284 A CB -0.139 18.687 19.000 -0.290 0.000 1.069 284 A HN 0.300 nan 8.150 nan 0.000 0.506 285 G N -0.994 107.027 108.800 -1.299 0.000 2.414 285 G HA2 0.245 4.205 3.960 -0.000 0.000 0.236 285 G HA3 0.245 4.205 3.960 -0.000 0.000 0.236 285 G C 0.789 175.487 174.900 -0.336 0.000 1.293 285 G CA -0.114 44.589 45.100 -0.661 0.000 0.869 285 G HN 0.782 nan 8.290 nan 0.000 0.556 286 R N 0.707 121.064 120.500 -0.238 0.000 2.105 286 R HA -0.133 4.207 4.340 -0.000 0.000 0.239 286 R C 2.313 178.542 176.300 -0.119 0.000 1.135 286 R CA 1.742 57.720 56.100 -0.205 0.000 0.967 286 R CB -0.129 30.042 30.300 -0.216 0.000 0.861 286 R HN 0.830 nan 8.270 nan 0.000 0.442 287 D N 0.538 120.900 120.400 -0.063 0.000 2.097 287 D HA -0.134 4.505 4.640 -0.000 0.000 0.195 287 D C 1.870 178.136 176.300 -0.056 0.000 0.989 287 D CA 1.196 55.179 54.000 -0.028 0.000 0.827 287 D CB -0.551 40.261 40.800 0.019 0.000 0.966 287 D HN 0.090 nan 8.370 nan 0.000 0.456 288 V N 1.082 120.975 119.914 -0.036 0.000 2.295 288 V HA -0.225 3.895 4.120 -0.000 0.000 0.246 288 V C 3.006 179.061 176.094 -0.065 0.000 1.049 288 V CA 1.431 63.725 62.300 -0.010 0.000 1.024 288 V CB -0.471 31.398 31.823 0.075 0.000 0.648 288 V HN 0.110 nan 8.190 nan 0.000 0.447 289 V N 0.403 120.258 119.914 -0.098 0.000 2.295 289 V HA -0.257 3.863 4.120 -0.000 0.000 0.246 289 V C 2.741 178.793 176.094 -0.070 0.000 1.049 289 V CA 2.042 64.292 62.300 -0.085 0.000 1.024 289 V CB -1.265 30.486 31.823 -0.120 0.000 0.648 289 V HN 0.553 nan 8.190 nan 0.000 0.447 290 A N -0.195 122.575 122.820 -0.085 0.000 1.908 290 A HA -0.247 4.072 4.320 -0.000 0.000 0.218 290 A C 2.404 179.908 177.584 -0.132 0.000 1.181 290 A CA 1.965 53.957 52.037 -0.076 0.000 0.627 290 A CB -0.526 18.446 19.000 -0.046 0.000 0.818 290 A HN 0.495 nan 8.150 nan 0.000 0.445 291 R N -0.327 120.064 120.500 -0.181 0.000 2.092 291 R HA -0.071 4.269 4.340 -0.000 0.000 0.231 291 R C 2.535 178.775 176.300 -0.099 0.000 1.119 291 R CA 1.482 57.464 56.100 -0.197 0.000 0.970 291 R CB -0.325 29.864 30.300 -0.186 0.000 0.864 291 R HN 0.556 nan 8.270 nan 0.000 0.440 292 S N 1.086 116.636 115.700 -0.250 0.000 2.368 292 S HA -0.124 4.346 4.470 -0.000 0.000 0.225 292 S C 1.974 176.326 174.600 -0.414 0.000 1.030 292 S CA 1.139 58.952 58.200 -0.645 0.000 0.999 292 S CB -0.195 62.569 63.200 -0.727 0.000 0.844 292 S HN 0.228 nan 8.310 nan 0.000 0.459 293 I N 1.290 121.775 120.570 -0.142 0.000 2.226 293 I HA -0.179 3.991 4.170 -0.000 0.000 0.245 293 I C 2.232 178.273 176.117 -0.127 0.000 1.100 293 I CA 0.976 62.209 61.300 -0.112 0.000 1.374 293 I CB -0.287 37.748 38.000 0.058 0.000 1.057 293 I HN 0.275 nan 8.210 nan 0.000 0.413 294 M N -0.119 119.456 119.600 -0.041 0.000 2.319 294 M HA -0.091 4.389 4.480 -0.000 0.000 0.265 294 M C 2.342 178.685 176.300 0.071 0.000 1.068 294 M CA 1.613 56.942 55.300 0.049 0.000 1.118 294 M CB -0.868 31.821 32.600 0.147 0.000 1.395 294 M HN 0.229 nan 8.290 nan 0.000 0.435 295 I N -0.173 120.427 120.570 0.050 0.000 2.202 295 I HA -0.244 3.926 4.170 -0.000 0.000 0.242 295 I C 2.416 178.506 176.117 -0.045 0.000 1.091 295 I CA 0.909 62.222 61.300 0.022 0.000 1.368 295 I CB -0.399 37.651 38.000 0.084 0.000 1.058 295 I HN 0.219 nan 8.210 nan 0.000 0.410 296 E N 1.073 121.176 120.200 -0.161 0.000 2.049 296 E HA -0.220 4.130 4.350 -0.000 0.000 0.198 296 E C 2.266 178.775 176.600 -0.152 0.000 1.007 296 E CA 1.537 57.800 56.400 -0.227 0.000 0.809 296 E CB -0.399 28.956 29.700 -0.575 0.000 0.749 296 E HN 0.514 nan 8.360 nan 0.000 0.450 297 I N 0.534 121.023 120.570 -0.134 0.000 2.179 297 I HA -0.271 3.899 4.170 -0.000 0.000 0.242 297 I C 2.799 178.881 176.117 -0.059 0.000 1.088 297 I CA 1.123 62.371 61.300 -0.086 0.000 1.357 297 I CB -0.280 37.688 38.000 -0.053 0.000 1.051 297 I HN 0.030 nan 8.210 nan 0.000 0.409 298 R N 1.045 121.518 120.500 -0.045 0.000 2.127 298 R HA -0.178 4.162 4.340 -0.000 0.000 0.238 298 R C 1.180 177.446 176.300 -0.057 0.000 1.134 298 R CA 1.448 57.519 56.100 -0.049 0.000 0.975 298 R CB -0.017 30.248 30.300 -0.058 0.000 0.865 298 R HN 0.435 nan 8.270 nan 0.000 0.447 299 E N -1.154 119.016 120.200 -0.051 0.000 2.370 299 E HA 0.121 4.471 4.350 -0.000 0.000 0.194 299 E C 0.250 176.831 176.600 -0.031 0.000 1.057 299 E CA 0.286 56.662 56.400 -0.040 0.000 1.011 299 E CB 0.865 30.549 29.700 -0.026 0.000 1.132 299 E HN 0.578 nan 8.360 nan 0.000 0.450 300 G N 2.156 110.930 108.800 -0.042 0.000 2.153 300 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.252 300 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.252 300 G C 0.807 175.674 174.900 -0.056 0.000 0.994 300 G CA 0.191 45.267 45.100 -0.040 0.000 0.698 300 G HN 0.316 nan 8.290 nan 0.000 0.521 301 R N 0.062 120.516 120.500 -0.076 0.000 2.432 301 R HA 0.324 4.664 4.340 -0.000 0.000 0.260 301 R C 1.530 177.724 176.300 -0.176 0.000 0.935 301 R CA 0.272 56.299 56.100 -0.122 0.000 1.080 301 R CB 0.664 30.944 30.300 -0.034 0.000 1.155 301 R HN 0.357 nan 8.270 nan 0.000 0.531 302 G N 0.298 109.004 108.800 -0.157 0.000 2.537 302 G HA2 0.283 4.243 3.960 -0.000 0.000 0.273 302 G HA3 0.283 4.243 3.960 -0.000 0.000 0.273 302 G C -0.018 174.755 174.900 -0.213 0.000 1.189 302 G CA -0.501 44.492 45.100 -0.178 0.000 0.881 302 G HN 0.136 nan 8.290 nan 0.000 0.535 303 C N -0.151 118.946 119.300 -0.339 0.000 2.347 303 C HA 0.694 5.154 4.460 -0.000 0.000 0.366 303 C C 0.234 175.029 174.990 -0.325 0.000 1.241 303 C CA -0.613 58.174 59.018 -0.385 0.000 2.360 303 C CB 1.385 28.771 27.740 -0.590 0.000 2.290 303 C HN 0.768 nan 8.230 nan 0.000 0.587 304 D N -1.640 118.730 120.400 -0.050 0.000 2.636 304 D HA 0.715 5.355 4.640 -0.000 0.000 0.275 304 D C -0.042 176.489 176.300 0.385 0.000 1.130 304 D CA 0.500 54.602 54.000 0.171 0.000 1.031 304 D CB 2.438 43.290 40.800 0.088 0.000 1.451 304 D HN 0.941 nan 8.370 nan 0.000 0.505 305 G N -0.186 108.804 108.800 0.318 0.000 2.351 305 G HA2 0.095 4.055 3.960 -0.000 0.000 0.279 305 G HA3 0.095 4.055 3.960 -0.000 0.000 0.279 305 G C -2.341 172.511 174.900 -0.079 0.000 1.297 305 G CA -0.409 44.775 45.100 0.140 0.000 0.886 305 G HN 0.324 nan 8.290 nan 0.000 0.493 306 P HA -0.041 nan 4.420 nan 0.000 0.218 306 P C 1.236 178.315 177.300 -0.369 0.000 1.146 306 P CA 1.489 64.276 63.100 -0.522 0.000 0.813 306 P CB 0.037 31.214 31.700 -0.873 0.000 0.778 307 W N -0.376 120.912 121.300 -0.021 0.000 2.770 307 W HA 0.330 4.990 4.660 -0.000 0.000 0.256 307 W C 1.081 177.609 176.519 0.016 0.000 1.291 307 W CA 1.061 58.377 57.345 -0.049 0.000 1.396 307 W CB -0.865 28.481 29.460 -0.190 0.000 1.114 307 W HN 0.029 nan 8.180 nan 0.000 0.637 308 G N 0.237 109.204 108.800 0.277 0.000 2.631 308 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.504 308 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.504 308 G C -3.059 172.050 174.900 0.348 0.000 1.306 308 G CA -1.381 43.858 45.100 0.231 0.000 0.897 308 G HN -0.284 nan 8.290 nan 0.000 0.520 309 P HA 0.372 nan 4.420 nan 0.000 0.268 309 P C -0.154 177.279 177.300 0.221 0.000 1.205 309 P CA 0.552 63.744 63.100 0.154 0.000 0.771 309 P CB 0.626 32.364 31.700 0.063 0.000 0.858 310 H N -0.325 118.772 119.070 0.045 0.000 2.969 310 H HA 0.667 5.223 4.556 -0.000 0.000 0.304 310 H C -1.852 173.486 175.328 0.017 0.000 1.400 310 H CA -1.143 54.921 56.048 0.026 0.000 1.182 310 H CB 0.317 30.086 29.762 0.013 0.000 1.865 310 H HN 0.452 nan 8.280 nan 0.000 0.512 311 A N 1.306 124.199 122.820 0.123 0.000 2.269 311 A HA 0.576 4.896 4.320 -0.000 0.000 0.327 311 A C -0.368 177.332 177.584 0.192 0.000 1.112 311 A CA -0.951 51.158 52.037 0.120 0.000 0.865 311 A CB 1.012 20.160 19.000 0.246 0.000 1.227 311 A HN 0.501 nan 8.150 nan 0.000 0.498 312 K N 0.579 121.063 120.400 0.140 0.000 2.185 312 K HA 0.424 4.744 4.320 -0.000 0.000 0.269 312 K C -1.485 175.122 176.600 0.012 0.000 0.987 312 K CA -0.498 55.832 56.287 0.072 0.000 0.865 312 K CB 1.677 34.204 32.500 0.044 0.000 1.090 312 K HN 0.473 nan 8.250 nan 0.000 0.450 313 L N 3.094 124.290 121.223 -0.045 0.000 2.277 313 L HA 0.280 4.620 4.340 -0.000 0.000 0.284 313 L C -0.204 176.586 176.870 -0.133 0.000 1.028 313 L CA -0.160 54.629 54.840 -0.086 0.000 0.835 313 L CB 0.661 42.679 42.059 -0.069 0.000 1.215 313 L HN 0.454 nan 8.230 nan 0.000 0.425 314 K N 5.044 125.307 120.400 -0.229 0.000 2.248 314 K HA 0.387 4.707 4.320 -0.000 0.000 0.281 314 K C -0.116 176.378 176.600 -0.178 0.000 1.054 314 K CA -0.266 55.870 56.287 -0.252 0.000 0.903 314 K CB 0.649 32.892 32.500 -0.428 0.000 1.077 314 K HN 0.869 nan 8.250 nan 0.000 0.474 315 L N 3.254 124.428 121.223 -0.082 0.000 2.878 315 L HA 0.088 4.428 4.340 -0.000 0.000 0.253 315 L C 1.120 177.909 176.870 -0.136 0.000 1.135 315 L CA 0.047 54.818 54.840 -0.115 0.000 0.943 315 L CB 0.237 42.234 42.059 -0.103 0.000 1.307 315 L HN 0.747 nan 8.230 nan 0.000 0.545 316 D N -0.551 119.844 120.400 -0.008 0.000 2.218 316 D HA -0.286 4.354 4.640 -0.000 0.000 0.204 316 D C 1.947 178.255 176.300 0.014 0.000 0.976 316 D CA 1.376 55.375 54.000 -0.001 0.000 0.853 316 D CB -0.327 40.488 40.800 0.025 0.000 0.939 316 D HN 0.491 nan 8.370 nan 0.000 0.481 317 H N 0.848 119.906 119.070 -0.021 0.000 2.545 317 H HA 0.008 4.564 4.556 -0.000 0.000 0.282 317 H C 1.766 177.105 175.328 0.019 0.000 1.020 317 H CA 0.532 56.588 56.048 0.013 0.000 1.243 317 H CB -0.496 29.294 29.762 0.048 0.000 1.377 317 H HN 0.298 nan 8.280 nan 0.000 0.581 318 L N 0.406 121.372 121.223 -0.428 0.000 2.313 318 L HA 0.142 4.482 4.340 -0.000 0.000 0.214 318 L C 1.073 177.877 176.870 -0.109 0.000 1.119 318 L CA 0.570 55.249 54.840 -0.269 0.000 0.809 318 L CB -0.446 41.450 42.059 -0.271 0.000 0.933 318 L HN 0.550 nan 8.230 nan 0.000 0.449 319 G N 0.547 109.300 108.800 -0.078 0.000 2.716 319 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.686 319 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.686 319 G C 0.309 175.185 174.900 -0.039 0.000 1.337 319 G CA 0.049 45.126 45.100 -0.038 0.000 0.829 319 G HN 0.125 nan 8.290 nan 0.000 0.599 320 K N 0.171 120.556 120.400 -0.026 0.000 2.074 320 K HA -0.175 4.144 4.320 -0.000 0.000 0.209 320 K C 2.254 178.838 176.600 -0.027 0.000 1.048 320 K CA 2.233 58.505 56.287 -0.024 0.000 0.926 320 K CB -0.155 32.334 32.500 -0.017 0.000 0.713 320 K HN 0.679 nan 8.250 nan 0.000 0.444 321 E N -0.029 120.157 120.200 -0.024 0.000 2.051 321 E HA -0.171 4.179 4.350 -0.000 0.000 0.192 321 E C 1.867 178.447 176.600 -0.033 0.000 0.991 321 E CA 1.434 57.819 56.400 -0.025 0.000 0.799 321 E CB 0.112 29.800 29.700 -0.020 0.000 0.748 321 E HN 0.125 nan 8.360 nan 0.000 0.449 322 V N 1.099 120.993 119.914 -0.034 0.000 2.358 322 V HA -0.231 3.889 4.120 -0.000 0.000 0.246 322 V C 2.411 178.482 176.094 -0.039 0.000 1.047 322 V CA 1.367 63.645 62.300 -0.038 0.000 1.035 322 V CB -0.363 31.439 31.823 -0.035 0.000 0.658 322 V HN 0.333 nan 8.190 nan 0.000 0.452 323 L N -0.427 120.771 121.223 -0.041 0.000 2.093 323 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 323 L C 2.493 179.345 176.870 -0.030 0.000 1.085 323 L CA 1.615 56.432 54.840 -0.037 0.000 0.755 323 L CB -0.496 41.538 42.059 -0.042 0.000 0.904 323 L HN 0.369 nan 8.230 nan 0.000 0.435 324 E N -1.041 119.140 120.200 -0.031 0.000 2.285 324 E HA -0.146 4.204 4.350 -0.000 0.000 0.194 324 E C 2.233 178.812 176.600 -0.035 0.000 0.997 324 E CA 1.078 57.460 56.400 -0.030 0.000 0.845 324 E CB 0.153 29.836 29.700 -0.028 0.000 0.782 324 E HN 0.347 nan 8.360 nan 0.000 0.491 325 S N 0.127 115.801 115.700 -0.043 0.000 2.427 325 S HA 0.020 4.490 4.470 -0.000 0.000 0.224 325 S C 1.838 176.397 174.600 -0.069 0.000 1.047 325 S CA 0.167 58.331 58.200 -0.060 0.000 0.953 325 S CB 0.281 63.437 63.200 -0.073 0.000 0.824 325 S HN 0.030 nan 8.310 nan 0.000 0.502 326 R N 0.449 120.915 120.500 -0.056 0.000 2.206 326 R HA 0.408 4.748 4.340 -0.000 0.000 0.198 326 R C 0.456 176.765 176.300 0.014 0.000 0.986 326 R CA 0.390 56.469 56.100 -0.035 0.000 1.029 326 R CB -0.394 29.900 30.300 -0.010 0.000 0.966 326 R HN 0.415 nan 8.270 nan 0.000 0.487 327 L N 1.796 123.021 121.223 0.003 0.000 3.193 327 L HA 0.264 4.604 4.340 -0.000 0.000 0.305 327 L C -1.700 175.170 176.870 0.000 0.000 1.299 327 L CA -1.049 53.799 54.840 0.013 0.000 0.904 327 L CB 1.372 43.438 42.059 0.012 0.000 1.331 327 L HN -0.130 nan 8.230 nan 0.000 0.588 328 P HA -0.149 nan 4.420 nan 0.000 0.215 328 P C 1.724 179.019 177.300 -0.008 0.000 1.157 328 P CA 1.662 64.754 63.100 -0.014 0.000 0.863 328 P CB 0.272 31.957 31.700 -0.025 0.000 0.787 329 G N 1.189 109.987 108.800 -0.005 0.000 2.469 329 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.219 329 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.219 329 G C 1.509 176.422 174.900 0.023 0.000 1.150 329 G CA 1.466 46.569 45.100 0.005 0.000 0.763 329 G HN 0.422 nan 8.290 nan 0.000 0.561 330 I N -1.164 119.418 120.570 0.020 0.000 2.617 330 I HA 0.130 4.300 4.170 -0.000 0.000 0.256 330 I C 2.375 178.504 176.117 0.020 0.000 1.167 330 I CA 0.649 61.963 61.300 0.022 0.000 1.469 330 I CB -0.348 37.658 38.000 0.010 0.000 1.098 330 I HN 0.085 nan 8.210 nan 0.000 0.436 331 L N 0.701 121.929 121.223 0.009 0.000 1.989 331 L HA -0.199 4.141 4.340 -0.000 0.000 0.211 331 L C 2.706 179.585 176.870 0.014 0.000 1.071 331 L CA 1.938 56.780 54.840 0.004 0.000 0.749 331 L CB -0.831 41.224 42.059 -0.008 0.000 0.890 331 L HN 0.308 nan 8.230 nan 0.000 0.431 332 E N 0.182 120.392 120.200 0.017 0.000 2.038 332 E HA -0.234 4.116 4.350 -0.000 0.000 0.195 332 E C 2.333 178.971 176.600 0.064 0.000 1.000 332 E CA 1.258 57.671 56.400 0.023 0.000 0.803 332 E CB -0.191 29.523 29.700 0.022 0.000 0.750 332 E HN 0.392 nan 8.360 nan 0.000 0.448 333 L N 0.448 121.742 121.223 0.118 0.000 2.017 333 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 333 L C 2.696 179.714 176.870 0.247 0.000 1.073 333 L CA 1.146 56.136 54.840 0.251 0.000 0.745 333 L CB -0.498 41.676 42.059 0.192 0.000 0.894 333 L HN 0.155 nan 8.230 nan 0.000 0.432 334 S N -0.070 115.706 115.700 0.126 0.000 2.356 334 S HA -0.180 4.289 4.470 -0.000 0.000 0.223 334 S C 2.139 176.802 174.600 0.105 0.000 1.032 334 S CA 1.202 59.460 58.200 0.096 0.000 1.005 334 S CB -0.076 63.140 63.200 0.028 0.000 0.867 334 S HN 0.301 nan 8.310 nan 0.000 0.449 335 R N -0.019 120.516 120.500 0.059 0.000 2.091 335 R HA -0.054 4.286 4.340 -0.000 0.000 0.238 335 R C 2.528 178.840 176.300 0.020 0.000 1.136 335 R CA 2.030 58.148 56.100 0.029 0.000 0.959 335 R CB -0.900 29.389 30.300 -0.018 0.000 0.856 335 R HN 0.415 nan 8.270 nan 0.000 0.437 336 T N 0.044 114.569 114.554 -0.048 0.000 2.812 336 T HA -0.040 4.310 4.350 -0.000 0.000 0.264 336 T C 1.197 175.707 174.700 -0.317 0.000 1.042 336 T CA 1.208 63.151 62.100 -0.261 0.000 1.140 336 T CB -0.081 68.475 68.868 -0.519 0.000 0.870 336 T HN 0.102 nan 8.240 nan 0.000 0.445 337 F N 0.223 120.262 119.950 0.148 0.000 2.717 337 F HA 0.526 5.053 4.527 -0.000 0.000 0.295 337 F C 2.106 177.991 175.800 0.141 0.000 1.117 337 F CA -0.185 57.888 58.000 0.122 0.000 1.361 337 F CB 0.084 39.130 39.000 0.076 0.000 1.112 337 F HN 0.114 nan 8.300 nan 0.000 0.594 338 A N -2.079 120.930 122.820 0.316 0.000 2.324 338 A HA 0.246 4.566 4.320 -0.000 0.000 0.220 338 A C 0.050 177.926 177.584 0.486 0.000 1.209 338 A CA 0.016 52.259 52.037 0.342 0.000 0.918 338 A CB -0.530 18.537 19.000 0.110 0.000 0.959 338 A HN 0.322 nan 8.150 nan 0.000 0.507 339 H N -1.383 117.795 119.070 0.180 0.000 2.770 339 H HA -0.126 4.430 4.556 -0.000 0.000 0.309 339 H C -0.738 174.687 175.328 0.161 0.000 1.206 339 H CA 0.597 56.725 56.048 0.134 0.000 1.147 339 H CB -2.262 27.573 29.762 0.122 0.000 1.422 339 H HN 0.218 nan 8.280 nan 0.000 0.420 340 V N 0.646 120.686 119.914 0.210 0.000 2.623 340 V HA 0.204 4.324 4.120 -0.000 0.000 0.304 340 V C 0.050 176.175 176.094 0.051 0.000 1.054 340 V CA -0.959 61.415 62.300 0.124 0.000 0.882 340 V CB 2.362 34.211 31.823 0.043 0.000 1.002 340 V HN 0.297 nan 8.190 nan 0.000 0.424 341 D N 6.661 127.082 120.400 0.034 0.000 2.380 341 D HA 0.358 4.998 4.640 -0.000 0.000 0.230 341 D C -1.706 174.593 176.300 -0.003 0.000 1.154 341 D CA -2.125 51.881 54.000 0.010 0.000 0.859 341 D CB 2.146 42.950 40.800 0.007 0.000 1.045 341 D HN 0.179 nan 8.370 nan 0.000 0.495 342 P HA -0.106 nan 4.420 nan 0.000 0.225 342 P C 1.421 178.704 177.300 -0.027 0.000 1.148 342 P CA 0.357 63.440 63.100 -0.029 0.000 0.779 342 P CB 0.380 32.060 31.700 -0.034 0.000 0.780 343 V N -0.121 119.781 119.914 -0.020 0.000 2.759 343 V HA -0.173 3.947 4.120 -0.000 0.000 0.256 343 V C 1.965 178.054 176.094 -0.007 0.000 1.080 343 V CA 1.693 63.983 62.300 -0.018 0.000 1.101 343 V CB -0.755 31.060 31.823 -0.015 0.000 0.698 343 V HN 0.212 nan 8.190 nan 0.000 0.477 344 K N -0.735 119.665 120.400 -0.001 0.000 2.436 344 K HA 0.321 4.641 4.320 -0.000 0.000 0.198 344 K C 0.615 177.222 176.600 0.012 0.000 1.174 344 K CA 0.105 56.398 56.287 0.009 0.000 0.951 344 K CB 1.450 33.958 32.500 0.015 0.000 1.040 344 K HN 0.478 nan 8.250 nan 0.000 0.536 345 E N 1.331 121.532 120.200 0.002 0.000 2.356 345 E HA 0.309 4.659 4.350 -0.000 0.000 0.275 345 E C -2.889 173.690 176.600 -0.036 0.000 0.904 345 E CA -2.381 54.018 56.400 -0.001 0.000 0.757 345 E CB 2.721 32.433 29.700 0.020 0.000 1.232 345 E HN -0.242 nan 8.360 nan 0.000 0.442 346 P HA 0.159 nan 4.420 nan 0.000 0.271 346 P C -0.633 176.578 177.300 -0.149 0.000 1.218 346 P CA 0.093 63.140 63.100 -0.088 0.000 0.780 346 P CB 0.444 32.101 31.700 -0.071 0.000 0.901 347 I N 4.245 124.723 120.570 -0.153 0.000 2.441 347 I HA 0.207 4.377 4.170 -0.000 0.000 0.287 347 I C -1.872 174.070 176.117 -0.292 0.000 1.049 347 I CA -2.335 58.834 61.300 -0.218 0.000 1.381 347 I CB 0.859 38.775 38.000 -0.141 0.000 1.409 347 I HN 0.152 nan 8.210 nan 0.000 0.523 348 P HA 0.149 nan 4.420 nan 0.000 0.276 348 P C -0.774 176.328 177.300 -0.330 0.000 1.253 348 P CA -0.027 62.672 63.100 -0.668 0.000 0.766 348 P CB 1.082 31.787 31.700 -1.658 0.000 0.845 349 V N 2.354 122.220 119.914 -0.079 0.000 3.040 349 V HA 0.757 4.877 4.120 -0.000 0.000 0.312 349 V C -0.662 175.475 176.094 0.071 0.000 1.115 349 V CA -1.176 61.116 62.300 -0.012 0.000 0.998 349 V CB 2.595 34.414 31.823 -0.005 0.000 1.042 349 V HN 0.509 nan 8.190 nan 0.000 0.433 350 I N 1.756 122.362 120.570 0.060 0.000 2.841 350 I HA 0.627 4.797 4.170 -0.000 0.000 0.298 350 I C -2.881 173.283 176.117 0.077 0.000 1.304 350 I CA -2.305 59.042 61.300 0.078 0.000 1.019 350 I CB 3.330 41.383 38.000 0.089 0.000 1.282 350 I HN 0.559 nan 8.210 nan 0.000 0.432 351 P HA 0.180 nan 4.420 nan 0.000 0.266 351 P C -1.481 175.920 177.300 0.169 0.000 1.195 351 P CA 0.177 63.345 63.100 0.112 0.000 0.768 351 P CB 0.521 32.255 31.700 0.057 0.000 0.838 352 T N 1.812 116.502 114.554 0.227 0.000 3.071 352 T HA 0.143 4.493 4.350 -0.000 0.000 0.311 352 T C -0.654 174.119 174.700 0.123 0.000 1.042 352 T CA -0.347 61.866 62.100 0.188 0.000 1.028 352 T CB 0.688 69.605 68.868 0.082 0.000 1.068 352 T HN 0.452 nan 8.240 nan 0.000 0.451 353 C N 3.727 122.981 119.300 -0.078 0.000 2.334 353 C HA 0.077 4.537 4.460 -0.000 0.000 0.395 353 C C 1.460 176.353 174.990 -0.162 0.000 1.507 353 C CA 1.140 59.780 59.018 -0.630 0.000 1.494 353 C CB -1.223 25.986 27.740 -0.886 0.000 2.509 353 C HN 1.146 nan 8.230 nan 0.000 0.599 354 H N 2.263 121.223 119.070 -0.182 0.000 2.312 354 H HA 0.280 4.836 4.556 -0.000 0.000 0.215 354 H C -0.811 174.629 175.328 0.187 0.000 0.870 354 H CA 0.631 56.709 56.048 0.050 0.000 0.982 354 H CB 0.309 30.156 29.762 0.143 0.000 1.330 354 H HN 0.750 nan 8.280 nan 0.000 0.399 355 Y N 0.769 121.038 120.300 -0.051 0.000 2.482 355 Y HA 0.352 4.902 4.550 -0.000 0.000 0.334 355 Y C -1.546 174.230 175.900 -0.207 0.000 1.091 355 Y CA -1.158 56.843 58.100 -0.164 0.000 1.027 355 Y CB 1.536 39.884 38.460 -0.186 0.000 1.306 355 Y HN 0.112 nan 8.280 nan 0.000 0.446 356 M N 7.370 126.288 119.600 -1.137 0.000 2.151 356 M HA 0.221 4.701 4.480 -0.000 0.000 0.349 356 M C -0.285 175.432 176.300 -0.972 0.000 1.284 356 M CA -0.285 54.212 55.300 -1.339 0.000 1.173 356 M CB 0.841 32.717 32.600 -1.207 0.000 1.469 356 M HN 1.066 nan 8.290 nan 0.000 0.439 357 M N 2.868 122.169 119.600 -0.498 0.000 2.229 357 M HA 0.079 4.559 4.480 -0.000 0.000 0.264 357 M C 1.256 177.459 176.300 -0.162 0.000 1.063 357 M CA 1.031 56.274 55.300 -0.094 0.000 1.114 357 M CB -0.297 32.328 32.600 0.041 0.000 1.387 357 M HN 0.735 nan 8.290 nan 0.000 0.420 358 G N -1.124 107.480 108.800 -0.326 0.000 2.588 358 G HA2 0.522 4.481 3.960 -0.000 0.000 0.278 358 G HA3 0.522 4.481 3.960 -0.000 0.000 0.278 358 G C 0.144 174.907 174.900 -0.228 0.000 1.307 358 G CA -0.094 44.865 45.100 -0.235 0.000 1.016 358 G HN 0.613 nan 8.290 nan 0.000 0.503 359 G N -1.790 106.916 108.800 -0.156 0.000 2.320 359 G HA2 0.200 4.160 3.960 -0.000 0.000 0.274 359 G HA3 0.200 4.160 3.960 -0.000 0.000 0.274 359 G C -0.885 173.960 174.900 -0.092 0.000 1.324 359 G CA -0.691 44.333 45.100 -0.126 0.000 0.957 359 G HN 0.754 nan 8.290 nan 0.000 0.481 360 I N 3.348 123.869 120.570 -0.082 0.000 2.452 360 I HA 0.260 4.430 4.170 -0.000 0.000 0.287 360 I C -1.647 174.406 176.117 -0.106 0.000 1.079 360 I CA -1.497 59.758 61.300 -0.076 0.000 1.387 360 I CB 1.333 39.297 38.000 -0.061 0.000 1.404 360 I HN 0.173 nan 8.210 nan 0.000 0.522 361 P HA 0.064 nan 4.420 nan 0.000 0.267 361 P C -0.479 176.730 177.300 -0.152 0.000 1.205 361 P CA 0.003 63.010 63.100 -0.156 0.000 0.765 361 P CB 0.655 32.265 31.700 -0.150 0.000 0.828 362 T N 0.071 114.519 114.554 -0.176 0.000 2.901 362 T HA 0.544 4.894 4.350 -0.000 0.000 0.293 362 T C -0.226 174.367 174.700 -0.178 0.000 1.084 362 T CA -0.999 61.000 62.100 -0.168 0.000 1.008 362 T CB 1.818 70.595 68.868 -0.152 0.000 1.170 362 T HN 0.129 nan 8.240 nan 0.000 0.509 363 K N 0.325 120.631 120.400 -0.156 0.000 2.098 363 K HA 0.540 4.860 4.320 -0.000 0.000 0.244 363 K C 1.217 177.721 176.600 -0.160 0.000 1.014 363 K CA -0.813 55.384 56.287 -0.150 0.000 0.917 363 K CB 1.016 33.437 32.500 -0.133 0.000 1.072 363 K HN 0.345 nan 8.250 nan 0.000 0.477 364 V N 1.016 120.827 119.914 -0.172 0.000 2.568 364 V HA -0.233 3.887 4.120 -0.000 0.000 0.253 364 V C 2.068 178.096 176.094 -0.111 0.000 1.072 364 V CA 2.385 64.594 62.300 -0.152 0.000 1.084 364 V CB -0.839 30.802 31.823 -0.304 0.000 0.676 364 V HN 1.032 nan 8.190 nan 0.000 0.469 365 T N -2.598 111.858 114.554 -0.163 0.000 3.163 365 T HA 0.161 4.511 4.350 -0.000 0.000 0.260 365 T C 1.596 176.373 174.700 0.128 0.000 1.156 365 T CA 1.037 63.092 62.100 -0.076 0.000 1.072 365 T CB 0.170 68.990 68.868 -0.080 0.000 0.937 365 T HN 0.925 nan 8.240 nan 0.000 0.528 366 G N 0.658 109.507 108.800 0.082 0.000 2.199 366 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.254 366 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.254 366 G C -0.073 174.894 174.900 0.112 0.000 0.982 366 G CA -0.008 45.185 45.100 0.155 0.000 0.632 366 G HN 0.665 nan 8.290 nan 0.000 0.529 367 Q N 0.866 120.643 119.800 -0.039 0.000 2.311 367 Q HA 0.556 4.896 4.340 -0.000 0.000 0.272 367 Q C 0.770 176.593 176.000 -0.296 0.000 1.012 367 Q CA 0.275 55.838 55.803 -0.400 0.000 0.891 367 Q CB 1.033 29.560 28.738 -0.352 0.000 1.201 367 Q HN 0.784 nan 8.270 nan 0.000 0.391 368 A N 3.578 126.187 122.820 -0.353 0.000 2.407 368 A HA 0.429 4.748 4.320 -0.000 0.000 0.248 368 A C -0.513 176.958 177.584 -0.187 0.000 1.082 368 A CA -0.273 51.635 52.037 -0.215 0.000 0.785 368 A CB 0.342 19.236 19.000 -0.177 0.000 1.020 368 A HN 0.706 nan 8.150 nan 0.000 0.489 369 L N 0.960 122.098 121.223 -0.141 0.000 2.342 369 L HA 0.669 5.009 4.340 -0.000 0.000 0.271 369 L C 0.504 177.317 176.870 -0.094 0.000 1.008 369 L CA -0.408 54.361 54.840 -0.118 0.000 0.818 369 L CB 2.283 44.275 42.059 -0.112 0.000 1.296 369 L HN 0.848 nan 8.230 nan 0.000 0.427 370 T N 0.907 115.412 114.554 -0.082 0.000 2.773 370 T HA 0.750 5.100 4.350 -0.000 0.000 0.278 370 T C -1.276 173.388 174.700 -0.059 0.000 1.011 370 T CA -0.452 61.608 62.100 -0.067 0.000 1.014 370 T CB 1.917 70.748 68.868 -0.063 0.000 1.293 370 T HN 0.426 nan 8.240 nan 0.000 0.554 371 V N 1.772 121.655 119.914 -0.053 0.000 2.769 371 V HA 0.800 4.920 4.120 -0.000 0.000 0.312 371 V C -0.252 175.816 176.094 -0.043 0.000 1.061 371 V CA -1.155 61.119 62.300 -0.044 0.000 0.931 371 V CB 1.447 33.247 31.823 -0.038 0.000 1.010 371 V HN 1.033 nan 8.190 nan 0.000 0.433 372 N N 1.893 120.571 118.700 -0.036 0.000 2.418 372 N HA 0.234 4.973 4.740 -0.000 0.000 0.283 372 N C 0.856 176.348 175.510 -0.032 0.000 1.267 372 N CA -0.089 52.941 53.050 -0.034 0.000 0.975 372 N CB 0.081 38.551 38.487 -0.029 0.000 1.167 372 N HN 0.837 nan 8.380 nan 0.000 0.581 373 E N -0.434 119.748 120.200 -0.029 0.000 2.265 373 E HA -0.201 4.148 4.350 -0.000 0.000 0.196 373 E C 0.540 177.126 176.600 -0.023 0.000 0.996 373 E CA 1.086 57.470 56.400 -0.027 0.000 0.832 373 E CB -0.370 29.315 29.700 -0.024 0.000 0.756 373 E HN 0.600 nan 8.360 nan 0.000 0.491 374 K N 0.151 120.538 120.400 -0.021 0.000 2.459 374 K HA 0.084 4.404 4.320 -0.000 0.000 0.193 374 K C 1.085 177.675 176.600 -0.017 0.000 1.030 374 K CA 0.491 56.767 56.287 -0.018 0.000 1.026 374 K CB 0.352 32.842 32.500 -0.016 0.000 0.809 374 K HN 0.338 nan 8.250 nan 0.000 0.504 375 G N 2.079 110.867 108.800 -0.020 0.000 2.141 375 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.242 375 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.242 375 G C -0.415 174.475 174.900 -0.016 0.000 0.982 375 G CA -0.053 45.036 45.100 -0.018 0.000 0.662 375 G HN 0.386 nan 8.290 nan 0.000 0.527 376 E N 0.823 121.011 120.200 -0.019 0.000 2.319 376 E HA 0.419 4.769 4.350 -0.000 0.000 0.268 376 E C -0.450 176.134 176.600 -0.027 0.000 1.050 376 E CA -0.795 55.593 56.400 -0.020 0.000 0.878 376 E CB 0.704 30.392 29.700 -0.019 0.000 1.066 376 E HN 0.209 nan 8.360 nan 0.000 0.406 377 D N 1.415 121.798 120.400 -0.029 0.000 2.425 377 D HA 0.143 4.783 4.640 -0.000 0.000 0.247 377 D C -0.608 175.665 176.300 -0.045 0.000 1.147 377 D CA 0.123 54.099 54.000 -0.041 0.000 0.879 377 D CB 1.025 41.799 40.800 -0.044 0.000 1.179 377 D HN 0.167 nan 8.370 nan 0.000 0.456 378 V N 0.115 119.997 119.914 -0.054 0.000 2.760 378 V HA 0.453 4.573 4.120 -0.000 0.000 0.309 378 V C -0.309 175.740 176.094 -0.076 0.000 1.077 378 V CA -0.941 61.325 62.300 -0.057 0.000 0.910 378 V CB 1.837 33.631 31.823 -0.048 0.000 1.008 378 V HN 0.223 nan 8.190 nan 0.000 0.424 379 V N 4.885 124.747 119.914 -0.086 0.000 2.673 379 V HA 0.135 4.255 4.120 -0.000 0.000 0.303 379 V C 0.590 176.614 176.094 -0.116 0.000 1.046 379 V CA 0.080 62.309 62.300 -0.120 0.000 1.126 379 V CB 1.394 33.139 31.823 -0.129 0.000 0.934 379 V HN 0.793 nan 8.190 nan 0.000 0.487 380 V N 8.267 128.095 119.914 -0.143 0.000 2.387 380 V HA 0.184 4.304 4.120 -0.000 0.000 0.260 380 V C -2.017 173.988 176.094 -0.149 0.000 1.054 380 V CA -1.481 60.745 62.300 -0.123 0.000 0.967 380 V CB 0.705 32.458 31.823 -0.117 0.000 1.036 380 V HN 0.805 nan 8.190 nan 0.000 0.481 381 P HA 0.246 nan 4.420 nan 0.000 0.268 381 P C 1.060 178.332 177.300 -0.046 0.000 1.205 381 P CA 1.013 64.069 63.100 -0.074 0.000 0.771 381 P CB 0.761 32.445 31.700 -0.026 0.000 0.858 382 G N 0.870 109.669 108.800 -0.000 0.000 2.205 382 G HA2 -0.244 3.715 3.960 -0.000 0.000 0.261 382 G HA3 -0.244 3.715 3.960 -0.000 0.000 0.261 382 G C -0.329 174.666 174.900 0.158 0.000 0.980 382 G CA 0.093 45.274 45.100 0.136 0.000 0.632 382 G HN 0.592 nan 8.290 nan 0.000 0.533 383 L N 0.330 121.492 121.223 -0.102 0.000 2.346 383 L HA 0.919 5.259 4.340 -0.000 0.000 0.276 383 L C -0.725 175.922 176.870 -0.371 0.000 1.006 383 L CA -1.361 53.445 54.840 -0.057 0.000 0.817 383 L CB 1.204 43.222 42.059 -0.068 0.000 1.272 383 L HN 0.058 nan 8.230 nan 0.000 0.421 384 F N 2.986 122.925 119.950 -0.019 0.000 2.629 384 F HA 0.887 5.414 4.527 -0.000 0.000 0.316 384 F C -0.119 175.663 175.800 -0.030 0.000 1.081 384 F CA -0.610 57.376 58.000 -0.023 0.000 0.954 384 F CB 2.192 41.186 39.000 -0.011 0.000 1.337 384 F HN 0.594 nan 8.300 nan 0.000 0.474 385 A N 0.991 123.898 122.820 0.144 0.000 2.520 385 A HA 0.865 5.185 4.320 -0.000 0.000 0.298 385 A C -1.697 175.921 177.584 0.057 0.000 1.051 385 A CA -0.770 51.304 52.037 0.062 0.000 0.690 385 A CB 1.706 20.704 19.000 -0.003 0.000 1.281 385 A HN 1.225 nan 8.150 nan 0.000 0.402 386 V N -0.681 119.264 119.914 0.052 0.000 2.932 386 V HA 0.991 5.111 4.120 -0.000 0.000 0.307 386 V C 0.322 176.458 176.094 0.071 0.000 1.147 386 V CA 0.224 62.569 62.300 0.076 0.000 0.951 386 V CB 0.788 32.678 31.823 0.113 0.000 1.031 386 V HN 2.943 nan 8.190 nan 0.000 0.426 387 G N 2.619 111.481 108.800 0.104 0.000 2.482 387 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.214 387 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.214 387 G C 0.490 175.453 174.900 0.106 0.000 1.271 387 G CA 0.708 45.885 45.100 0.129 0.000 0.944 387 G HN 1.396 nan 8.290 nan 0.000 0.568 388 E N -0.707 119.548 120.200 0.091 0.000 2.204 388 E HA -0.090 4.260 4.350 -0.000 0.000 0.195 388 E C 2.482 179.012 176.600 -0.115 0.000 0.990 388 E CA 1.459 57.855 56.400 -0.007 0.000 0.821 388 E CB -0.114 29.540 29.700 -0.077 0.000 0.750 388 E HN 0.455 nan 8.360 nan 0.000 0.477 389 I N 0.917 121.447 120.570 -0.067 0.000 2.493 389 I HA -0.032 4.138 4.170 -0.000 0.000 0.254 389 I C 0.743 176.813 176.117 -0.077 0.000 1.160 389 I CA 0.512 61.764 61.300 -0.080 0.000 1.445 389 I CB -0.503 37.468 38.000 -0.048 0.000 1.086 389 I HN 0.061 nan 8.210 nan 0.000 0.433 390 A N -0.488 122.299 122.820 -0.055 0.000 2.304 390 A HA 0.405 4.725 4.320 -0.000 0.000 0.271 390 A C -0.169 177.358 177.584 -0.096 0.000 1.091 390 A CA -0.240 51.749 52.037 -0.079 0.000 0.812 390 A CB 0.359 19.307 19.000 -0.086 0.000 1.056 390 A HN 0.417 nan 8.150 nan 0.000 0.489 391 C N 3.122 122.343 119.300 -0.131 0.000 2.521 391 C HA 0.469 4.929 4.460 -0.000 0.000 0.291 391 C C 1.228 176.091 174.990 -0.212 0.000 1.074 391 C CA -0.428 58.505 59.018 -0.142 0.000 1.495 391 C CB -1.090 26.567 27.740 -0.138 0.000 1.862 391 C HN 0.651 nan 8.230 nan 0.000 0.418 392 V N 3.259 123.015 119.914 -0.263 0.000 2.379 392 V HA 0.027 4.147 4.120 -0.000 0.000 0.245 392 V C 1.396 177.339 176.094 -0.251 0.000 1.044 392 V CA 1.614 63.710 62.300 -0.339 0.000 1.036 392 V CB -0.281 31.180 31.823 -0.603 0.000 0.664 392 V HN 0.814 nan 8.190 nan 0.000 0.453 393 S N -0.086 115.507 115.700 -0.178 0.000 2.478 393 S HA 0.388 4.858 4.470 -0.000 0.000 0.312 393 S C 0.284 174.807 174.600 -0.129 0.000 1.094 393 S CA -0.329 57.787 58.200 -0.141 0.000 1.081 393 S CB 1.819 65.020 63.200 0.003 0.000 1.007 393 S HN 0.252 nan 8.310 nan 0.000 0.475 394 V N 2.946 122.679 119.914 -0.302 0.000 3.647 394 V HA 0.404 4.524 4.120 -0.000 0.000 0.279 394 V C 0.872 176.759 176.094 -0.346 0.000 1.314 394 V CA 0.319 62.437 62.300 -0.305 0.000 1.125 394 V CB -0.865 30.779 31.823 -0.297 0.000 0.907 394 V HN 0.927 nan 8.190 nan 0.000 0.434 395 H N 0.432 119.542 119.070 0.068 0.000 3.058 395 H HA 0.438 4.994 4.556 -0.000 0.000 0.258 395 H C 1.837 177.203 175.328 0.063 0.000 1.015 395 H CA 0.324 56.411 56.048 0.065 0.000 1.210 395 H CB 0.799 30.615 29.762 0.091 0.000 1.481 395 H HN 0.497 nan 8.280 nan 0.000 0.492 396 G N 1.645 110.539 108.800 0.156 0.000 2.660 396 G HA2 -0.410 3.550 3.960 -0.000 0.000 0.321 396 G HA3 -0.410 3.550 3.960 -0.000 0.000 0.321 396 G C 1.164 176.138 174.900 0.123 0.000 1.246 396 G CA 1.572 46.751 45.100 0.131 0.000 1.000 396 G HN 0.592 nan 8.290 nan 0.000 0.550 397 A N 0.125 123.000 122.820 0.092 0.000 2.348 397 A HA 0.582 4.902 4.320 -0.000 0.000 0.224 397 A C 0.682 178.325 177.584 0.098 0.000 1.227 397 A CA 1.462 53.555 52.037 0.093 0.000 0.885 397 A CB -0.177 18.875 19.000 0.088 0.000 0.933 397 A HN 1.737 nan 8.150 nan 0.000 0.506 398 N N -0.757 118.001 118.700 0.098 0.000 3.063 398 N HA 0.133 4.873 4.740 -0.000 0.000 0.242 398 N C -1.029 174.527 175.510 0.078 0.000 1.146 398 N CA -0.370 52.730 53.050 0.084 0.000 0.974 398 N CB 0.811 39.338 38.487 0.068 0.000 1.584 398 N HN 0.249 nan 8.380 nan 0.000 0.636 399 R N 3.721 124.245 120.500 0.041 0.000 2.490 399 R HA 0.403 4.743 4.340 -0.000 0.000 0.280 399 R C -0.392 175.891 176.300 -0.027 0.000 1.077 399 R CA -0.379 55.699 56.100 -0.037 0.000 1.065 399 R CB 0.535 30.591 30.300 -0.406 0.000 1.003 399 R HN 0.547 nan 8.270 nan 0.000 0.470 400 L N 3.625 124.875 121.223 0.045 0.000 2.367 400 L HA 0.212 4.552 4.340 -0.000 0.000 0.275 400 L C 1.103 178.023 176.870 0.085 0.000 1.129 400 L CA -0.272 54.611 54.840 0.073 0.000 0.839 400 L CB 0.946 43.095 42.059 0.151 0.000 1.133 400 L HN 0.860 nan 8.230 nan 0.000 0.453 401 G N 1.519 110.415 108.800 0.161 0.000 2.224 401 G HA2 0.272 4.231 3.960 -0.000 0.000 0.239 401 G HA3 0.272 4.231 3.960 -0.000 0.000 0.239 401 G C 1.020 176.100 174.900 0.300 0.000 1.240 401 G CA 0.410 45.749 45.100 0.398 0.000 0.896 401 G HN 1.099 nan 8.290 nan 0.000 0.496 402 G N 2.188 111.055 108.800 0.110 0.000 2.225 402 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.254 402 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.254 402 G C 1.175 176.081 174.900 0.011 0.000 0.988 402 G CA 0.676 45.716 45.100 -0.101 0.000 0.625 402 G HN 0.702 nan 8.290 nan 0.000 0.527 403 N N 0.380 119.123 118.700 0.072 0.000 2.424 403 N HA 0.150 4.890 4.740 -0.000 0.000 0.178 403 N C 2.127 177.741 175.510 0.174 0.000 1.060 403 N CA 1.319 54.475 53.050 0.177 0.000 0.901 403 N CB 0.040 38.696 38.487 0.281 0.000 0.979 403 N HN 0.441 nan 8.380 nan 0.000 0.451 404 S N 0.371 116.055 115.700 -0.026 0.000 2.345 404 S HA 0.077 4.547 4.470 -0.000 0.000 0.219 404 S C 1.831 176.496 174.600 0.107 0.000 1.031 404 S CA 0.600 58.787 58.200 -0.021 0.000 0.984 404 S CB -0.201 62.869 63.200 -0.216 0.000 0.874 404 S HN 0.210 nan 8.310 nan 0.000 0.451 405 L N 1.042 122.306 121.223 0.070 0.000 2.079 405 L HA -0.098 4.242 4.340 -0.000 0.000 0.210 405 L C 2.552 179.479 176.870 0.095 0.000 1.081 405 L CA 0.921 55.807 54.840 0.077 0.000 0.752 405 L CB -0.682 41.406 42.059 0.049 0.000 0.896 405 L HN 0.364 nan 8.230 nan 0.000 0.433 406 L N 0.740 122.026 121.223 0.105 0.000 2.012 406 L HA -0.272 4.068 4.340 -0.000 0.000 0.210 406 L C 2.235 179.183 176.870 0.130 0.000 1.073 406 L CA 2.223 57.127 54.840 0.106 0.000 0.748 406 L CB -0.793 41.352 42.059 0.143 0.000 0.891 406 L HN 0.309 nan 8.230 nan 0.000 0.431 407 D N -0.681 119.862 120.400 0.238 0.000 2.104 407 D HA -0.236 4.404 4.640 -0.000 0.000 0.194 407 D C 2.153 178.660 176.300 0.345 0.000 0.994 407 D CA 1.972 56.212 54.000 0.399 0.000 0.830 407 D CB -0.269 40.832 40.800 0.501 0.000 0.959 407 D HN 0.473 nan 8.370 nan 0.000 0.452 408 L N -0.260 121.102 121.223 0.231 0.000 2.042 408 L HA -0.153 4.186 4.340 -0.000 0.000 0.210 408 L C 2.740 179.686 176.870 0.125 0.000 1.076 408 L CA 0.901 55.845 54.840 0.174 0.000 0.749 408 L CB -0.591 41.539 42.059 0.119 0.000 0.893 408 L HN 0.037 nan 8.230 nan 0.000 0.432 409 V N -0.892 119.072 119.914 0.082 0.000 2.346 409 V HA -0.168 3.952 4.120 -0.000 0.000 0.244 409 V C 2.429 178.520 176.094 -0.006 0.000 1.037 409 V CA 1.129 63.450 62.300 0.034 0.000 1.029 409 V CB -0.004 31.831 31.823 0.020 0.000 0.663 409 V HN 0.140 nan 8.190 nan 0.000 0.454 410 V N -0.402 119.468 119.914 -0.073 0.000 2.295 410 V HA -0.242 3.878 4.120 -0.000 0.000 0.246 410 V C 2.199 178.157 176.094 -0.226 0.000 1.049 410 V CA 2.302 64.460 62.300 -0.235 0.000 1.024 410 V CB -0.700 30.841 31.823 -0.469 0.000 0.648 410 V HN 0.463 nan 8.190 nan 0.000 0.447 411 F N 0.877 120.904 119.950 0.129 0.000 2.335 411 F HA 0.187 4.714 4.527 -0.000 0.000 0.296 411 F C 2.352 178.203 175.800 0.084 0.000 1.091 411 F CA 0.851 58.918 58.000 0.111 0.000 1.399 411 F CB -1.314 37.735 39.000 0.082 0.000 1.067 411 F HN 0.157 nan 8.300 nan 0.000 0.520 412 G N 0.087 109.012 108.800 0.207 0.000 2.459 412 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.217 412 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.217 412 G C 1.843 176.793 174.900 0.084 0.000 1.183 412 G CA 0.910 46.082 45.100 0.120 0.000 0.776 412 G HN 0.236 nan 8.290 nan 0.000 0.552 413 R N 0.522 121.059 120.500 0.062 0.000 2.091 413 R HA -0.017 4.322 4.340 -0.000 0.000 0.238 413 R C 2.891 179.238 176.300 0.079 0.000 1.136 413 R CA 1.530 57.654 56.100 0.041 0.000 0.959 413 R CB -0.392 29.915 30.300 0.013 0.000 0.856 413 R HN 0.311 nan 8.270 nan 0.000 0.437 414 A N 0.658 123.564 122.820 0.144 0.000 1.902 414 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 414 A C 2.356 180.097 177.584 0.262 0.000 1.181 414 A CA 1.652 53.841 52.037 0.254 0.000 0.623 414 A CB -0.792 18.373 19.000 0.274 0.000 0.818 414 A HN 0.534 nan 8.150 nan 0.000 0.443 415 A N -0.542 122.393 122.820 0.193 0.000 1.940 415 A HA 0.068 4.388 4.320 -0.000 0.000 0.219 415 A C 2.367 179.980 177.584 0.048 0.000 1.176 415 A CA 2.059 54.183 52.037 0.144 0.000 0.631 415 A CB -1.284 17.783 19.000 0.113 0.000 0.814 415 A HN 0.723 nan 8.150 nan 0.000 0.446 416 G N -0.551 108.260 108.800 0.019 0.000 2.394 416 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.215 416 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.215 416 G C 1.534 176.408 174.900 -0.043 0.000 1.165 416 G CA 0.811 45.891 45.100 -0.034 0.000 0.784 416 G HN 0.417 nan 8.290 nan 0.000 0.535 417 L N -0.210 120.986 121.223 -0.045 0.000 2.083 417 L HA -0.040 4.299 4.340 -0.000 0.000 0.209 417 L C 2.289 178.998 176.870 -0.269 0.000 1.083 417 L CA 0.891 55.630 54.840 -0.168 0.000 0.752 417 L CB -0.267 41.650 42.059 -0.237 0.000 0.899 417 L HN 0.284 nan 8.230 nan 0.000 0.433 418 H N -1.411 117.668 119.070 0.016 0.000 2.551 418 H HA 0.059 4.615 4.556 -0.000 0.000 0.271 418 H C 1.873 177.216 175.328 0.024 0.000 0.984 418 H CA 0.015 56.080 56.048 0.028 0.000 1.164 418 H CB 0.718 30.507 29.762 0.046 0.000 1.437 418 H HN 0.189 nan 8.280 nan 0.000 0.550 419 L N 1.226 122.473 121.223 0.040 0.000 2.042 419 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 419 L C 2.387 179.260 176.870 0.004 0.000 1.076 419 L CA 1.704 56.519 54.840 -0.041 0.000 0.749 419 L CB -0.261 41.709 42.059 -0.148 0.000 0.893 419 L HN 0.157 nan 8.230 nan 0.000 0.432 420 Q N -0.911 118.891 119.800 0.003 0.000 2.084 420 Q HA -0.246 4.094 4.340 -0.000 0.000 0.202 420 Q C 2.143 178.172 176.000 0.048 0.000 0.978 420 Q CA 1.989 57.802 55.803 0.016 0.000 0.844 420 Q CB -0.101 28.637 28.738 0.001 0.000 0.898 420 Q HN 0.618 nan 8.270 nan 0.000 0.426 421 E N -0.207 120.035 120.200 0.070 0.000 2.077 421 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 421 E C 2.147 178.812 176.600 0.108 0.000 0.989 421 E CA 1.188 57.642 56.400 0.089 0.000 0.800 421 E CB 0.081 29.854 29.700 0.121 0.000 0.746 421 E HN 0.163 nan 8.360 nan 0.000 0.452 422 S N 0.811 116.605 115.700 0.156 0.000 2.368 422 S HA -0.137 4.333 4.470 -0.000 0.000 0.225 422 S C 2.022 176.740 174.600 0.196 0.000 1.030 422 S CA 0.867 59.197 58.200 0.215 0.000 0.999 422 S CB -0.159 63.298 63.200 0.430 0.000 0.844 422 S HN 0.209 nan 8.310 nan 0.000 0.459 423 I N 1.453 122.120 120.570 0.163 0.000 2.394 423 I HA -0.162 4.008 4.170 -0.000 0.000 0.251 423 I C 2.595 178.760 176.117 0.079 0.000 1.136 423 I CA 0.969 62.342 61.300 0.122 0.000 1.425 423 I CB -0.377 37.667 38.000 0.074 0.000 1.079 423 I HN 0.269 nan 8.210 nan 0.000 0.425 424 A N 0.235 123.094 122.820 0.066 0.000 1.929 424 A HA -0.220 4.099 4.320 -0.000 0.000 0.216 424 A C 2.328 179.939 177.584 0.044 0.000 1.176 424 A CA 1.537 53.602 52.037 0.047 0.000 0.628 424 A CB -0.520 18.504 19.000 0.039 0.000 0.816 424 A HN 0.484 nan 8.150 nan 0.000 0.444 425 E N 0.347 120.579 120.200 0.052 0.000 2.150 425 E HA -0.268 4.082 4.350 -0.000 0.000 0.193 425 E C 2.106 178.725 176.600 0.031 0.000 0.985 425 E CA 1.380 57.803 56.400 0.038 0.000 0.814 425 E CB -0.187 29.536 29.700 0.038 0.000 0.752 425 E HN 0.882 nan 8.360 nan 0.000 0.466 426 Q N 0.002 119.828 119.800 0.044 0.000 2.389 426 Q HA 0.124 4.464 4.340 -0.000 0.000 0.204 426 Q C 0.833 176.851 176.000 0.029 0.000 0.944 426 Q CA 0.674 56.496 55.803 0.031 0.000 0.908 426 Q CB 0.263 29.027 28.738 0.043 0.000 1.002 426 Q HN 0.192 nan 8.270 nan 0.000 0.493 427 G N 1.029 109.850 108.800 0.034 0.000 2.795 427 G HA2 -0.074 3.885 3.960 -0.000 0.000 0.664 427 G HA3 -0.074 3.885 3.960 -0.000 0.000 0.664 427 G C -0.347 174.572 174.900 0.031 0.000 1.381 427 G CA -0.463 44.653 45.100 0.027 0.000 0.853 427 G HN 0.799 nan 8.290 nan 0.000 0.545 428 A N -0.064 122.771 122.820 0.026 0.000 2.520 428 A HA 0.557 4.877 4.320 -0.000 0.000 0.245 428 A C 0.822 178.423 177.584 0.028 0.000 1.072 428 A CA 0.421 52.474 52.037 0.027 0.000 0.761 428 A CB -0.017 18.995 19.000 0.020 0.000 1.004 428 A HN 1.263 nan 8.150 nan 0.000 0.499 429 L N 2.537 123.782 121.223 0.035 0.000 2.325 429 L HA 0.456 4.796 4.340 -0.000 0.000 0.279 429 L C 1.032 177.923 176.870 0.035 0.000 1.054 429 L CA -0.652 54.210 54.840 0.037 0.000 0.804 429 L CB 1.064 43.154 42.059 0.050 0.000 1.200 429 L HN 0.867 nan 8.230 nan 0.000 0.436 430 R N 1.114 121.632 120.500 0.030 0.000 2.643 430 R HA 0.062 4.402 4.340 -0.000 0.000 0.270 430 R C -0.675 175.649 176.300 0.040 0.000 1.061 430 R CA -0.598 55.519 56.100 0.028 0.000 1.107 430 R CB 0.584 30.896 30.300 0.020 0.000 0.999 430 R HN 0.508 nan 8.270 nan 0.000 0.460 431 D N 1.450 121.875 120.400 0.041 0.000 2.399 431 D HA 0.117 4.757 4.640 -0.000 0.000 0.241 431 D C -0.366 175.964 176.300 0.051 0.000 1.133 431 D CA 0.324 54.359 54.000 0.059 0.000 0.890 431 D CB 1.155 41.986 40.800 0.052 0.000 1.201 431 D HN 0.621 nan 8.370 nan 0.000 0.432 432 A N 1.761 124.623 122.820 0.070 0.000 2.477 432 A HA 0.377 4.697 4.320 -0.000 0.000 0.246 432 A C 0.722 178.299 177.584 -0.012 0.000 1.078 432 A CA -0.386 51.656 52.037 0.008 0.000 0.770 432 A CB 0.054 19.021 19.000 -0.055 0.000 1.011 432 A HN 0.532 nan 8.150 nan 0.000 0.494 433 S N 1.011 116.694 115.700 -0.029 0.000 2.624 433 S HA 0.178 4.648 4.470 -0.000 0.000 0.263 433 S C 0.931 175.495 174.600 -0.059 0.000 1.287 433 S CA 0.291 58.473 58.200 -0.030 0.000 0.990 433 S CB 0.859 64.045 63.200 -0.023 0.000 0.950 433 S HN 0.821 nan 8.310 nan 0.000 0.561 434 E N 0.450 120.624 120.200 -0.044 0.000 2.153 434 E HA -0.169 4.181 4.350 -0.000 0.000 0.194 434 E C 1.977 178.539 176.600 -0.063 0.000 0.988 434 E CA 1.350 57.717 56.400 -0.055 0.000 0.811 434 E CB -0.258 29.425 29.700 -0.028 0.000 0.746 434 E HN 0.815 nan 8.360 nan 0.000 0.466 435 S N 0.245 115.916 115.700 -0.048 0.000 2.428 435 S HA -0.129 4.341 4.470 -0.000 0.000 0.230 435 S C 1.468 176.034 174.600 -0.057 0.000 1.014 435 S CA 1.043 59.217 58.200 -0.044 0.000 0.957 435 S CB -0.089 63.093 63.200 -0.030 0.000 0.784 435 S HN 0.210 nan 8.310 nan 0.000 0.499 436 D N 1.648 122.006 120.400 -0.070 0.000 2.117 436 D HA -0.052 4.588 4.640 -0.000 0.000 0.197 436 D C 2.106 178.327 176.300 -0.131 0.000 0.987 436 D CA 1.164 55.113 54.000 -0.086 0.000 0.829 436 D CB -0.435 40.313 40.800 -0.085 0.000 0.961 436 D HN 0.366 nan 8.370 nan 0.000 0.460 437 V N 0.802 120.600 119.914 -0.194 0.000 2.379 437 V HA -0.188 3.931 4.120 -0.000 0.000 0.245 437 V C 2.433 178.452 176.094 -0.125 0.000 1.044 437 V CA 1.411 63.554 62.300 -0.262 0.000 1.036 437 V CB -0.369 31.235 31.823 -0.366 0.000 0.664 437 V HN 0.052 nan 8.190 nan 0.000 0.453 438 E N 1.013 121.162 120.200 -0.084 0.000 2.097 438 E HA -0.228 4.121 4.350 -0.000 0.000 0.196 438 E C 2.127 178.710 176.600 -0.028 0.000 1.000 438 E CA 1.725 58.100 56.400 -0.042 0.000 0.804 438 E CB -0.534 29.147 29.700 -0.033 0.000 0.740 438 E HN 0.525 nan 8.360 nan 0.000 0.454 439 A N -0.410 122.389 122.820 -0.036 0.000 2.024 439 A HA -0.147 4.173 4.320 -0.000 0.000 0.220 439 A C 2.313 179.893 177.584 -0.008 0.000 1.164 439 A CA 1.766 53.790 52.037 -0.021 0.000 0.643 439 A CB -0.495 18.490 19.000 -0.025 0.000 0.806 439 A HN 0.233 nan 8.150 nan 0.000 0.451 440 S N -0.854 114.837 115.700 -0.015 0.000 2.562 440 S HA 0.198 4.667 4.470 -0.000 0.000 0.221 440 S C 1.213 175.837 174.600 0.041 0.000 0.975 440 S CA 0.371 58.579 58.200 0.013 0.000 0.918 440 S CB -0.174 63.027 63.200 0.003 0.000 0.772 440 S HN 0.533 nan 8.310 nan 0.000 0.531 441 L N 0.252 121.494 121.223 0.031 0.000 2.693 441 L HA 0.179 4.519 4.340 -0.000 0.000 0.235 441 L C 1.269 178.170 176.870 0.053 0.000 1.127 441 L CA 0.052 54.923 54.840 0.052 0.000 0.914 441 L CB -0.102 41.982 42.059 0.041 0.000 1.193 441 L HN 0.055 nan 8.230 nan 0.000 0.502 442 D N 0.956 121.377 120.400 0.035 0.000 2.123 442 D HA -0.211 4.428 4.640 -0.000 0.000 0.196 442 D C 2.140 178.460 176.300 0.033 0.000 0.992 442 D CA 1.184 55.198 54.000 0.022 0.000 0.833 442 D CB 0.064 40.866 40.800 0.004 0.000 0.954 442 D HN 0.188 nan 8.370 nan 0.000 0.455 443 R N 0.143 120.681 120.500 0.062 0.000 2.081 443 R HA -0.125 4.215 4.340 -0.000 0.000 0.235 443 R C 2.317 178.734 176.300 0.195 0.000 1.131 443 R CA 0.846 57.004 56.100 0.098 0.000 0.960 443 R CB -0.351 30.033 30.300 0.139 0.000 0.856 443 R HN 0.158 nan 8.270 nan 0.000 0.436 444 L N 1.407 122.746 121.223 0.194 0.000 2.027 444 L HA -0.128 4.212 4.340 -0.000 0.000 0.206 444 L C 1.448 178.422 176.870 0.173 0.000 1.074 444 L CA 1.851 56.822 54.840 0.218 0.000 0.745 444 L CB -0.666 41.480 42.059 0.144 0.000 0.898 444 L HN 0.172 nan 8.230 nan 0.000 0.433 445 N N 0.063 118.822 118.700 0.099 0.000 2.205 445 N HA -0.233 4.507 4.740 -0.000 0.000 0.186 445 N C 1.983 177.519 175.510 0.042 0.000 1.015 445 N CA 1.402 54.490 53.050 0.062 0.000 0.862 445 N CB -0.488 38.019 38.487 0.033 0.000 0.986 445 N HN 0.446 nan 8.380 nan 0.000 0.429 446 R N -0.231 120.271 120.500 0.003 0.000 2.075 446 R HA -0.111 4.229 4.340 -0.000 0.000 0.232 446 R C 1.901 178.134 176.300 -0.111 0.000 1.126 446 R CA 1.211 57.249 56.100 -0.102 0.000 0.963 446 R CB -0.246 29.923 30.300 -0.218 0.000 0.858 446 R HN 0.263 nan 8.270 nan 0.000 0.435 447 W N 1.283 122.575 121.300 -0.015 0.000 2.354 447 W HA -0.123 4.537 4.660 -0.000 0.000 0.315 447 W C 1.985 178.491 176.519 -0.020 0.000 1.206 447 W CA 0.639 57.971 57.345 -0.021 0.000 1.290 447 W CB -0.471 28.971 29.460 -0.030 0.000 1.152 447 W HN 0.158 nan 8.180 nan 0.000 0.489 448 N N 0.135 118.966 118.700 0.218 0.000 2.519 448 N HA -0.127 4.613 4.740 -0.000 0.000 0.186 448 N C 0.630 176.185 175.510 0.075 0.000 1.062 448 N CA 1.146 54.267 53.050 0.119 0.000 0.910 448 N CB -0.457 38.079 38.487 0.081 0.000 0.958 448 N HN 0.276 nan 8.380 nan 0.000 0.445 449 N N -0.528 118.205 118.700 0.055 0.000 2.197 449 N HA 0.009 4.749 4.740 -0.000 0.000 0.201 449 N C -0.377 175.139 175.510 0.009 0.000 1.148 449 N CA -0.060 53.003 53.050 0.022 0.000 0.883 449 N CB 0.237 38.726 38.487 0.003 0.000 1.012 449 N HN 0.052 nan 8.380 nan 0.000 0.507 450 N N 1.575 120.282 118.700 0.012 0.000 2.500 450 N HA 0.131 4.871 4.740 -0.000 0.000 0.236 450 N C 0.293 175.822 175.510 0.032 0.000 1.022 450 N CA 0.015 53.060 53.050 -0.008 0.000 0.935 450 N CB 0.528 38.969 38.487 -0.077 0.000 1.147 450 N HN -0.067 nan 8.380 nan 0.000 0.512 451 R N 2.217 122.730 120.500 0.021 0.000 2.189 451 R HA 0.202 4.542 4.340 -0.000 0.000 0.203 451 R C 0.312 176.625 176.300 0.021 0.000 1.012 451 R CA 0.501 56.617 56.100 0.028 0.000 1.015 451 R CB 0.087 30.398 30.300 0.019 0.000 0.938 451 R HN 0.515 nan 8.270 nan 0.000 0.472 452 N N 0.005 118.709 118.700 0.007 0.000 2.184 452 N HA 0.090 4.830 4.740 -0.000 0.000 0.206 452 N C 0.786 176.295 175.510 -0.001 0.000 1.151 452 N CA 0.247 53.299 53.050 0.003 0.000 0.878 452 N CB 0.916 39.402 38.487 -0.003 0.000 1.014 452 N HN 0.107 nan 8.380 nan 0.000 0.512 453 G N 0.321 109.118 108.800 -0.006 0.000 2.485 453 G HA2 0.122 4.082 3.960 -0.000 0.000 0.260 453 G HA3 0.122 4.082 3.960 -0.000 0.000 0.260 453 G C 0.098 174.999 174.900 0.003 0.000 1.459 453 G CA -0.322 44.768 45.100 -0.017 0.000 1.060 453 G HN 0.066 nan 8.290 nan 0.000 0.546 454 E N -0.087 120.112 120.200 -0.001 0.000 2.349 454 E HA 0.119 4.468 4.350 -0.000 0.000 0.262 454 E C -0.863 175.767 176.600 0.049 0.000 1.088 454 E CA -0.468 55.942 56.400 0.017 0.000 0.899 454 E CB 1.076 30.779 29.700 0.006 0.000 1.044 454 E HN 0.318 nan 8.360 nan 0.000 0.420 455 D N 2.420 122.848 120.400 0.046 0.000 2.358 455 D HA 0.019 4.659 4.640 -0.000 0.000 0.258 455 D C -1.495 174.850 176.300 0.076 0.000 1.223 455 D CA -2.058 51.977 54.000 0.058 0.000 0.886 455 D CB 0.956 41.779 40.800 0.037 0.000 1.120 455 D HN 0.105 nan 8.370 nan 0.000 0.482 456 P HA -0.134 nan 4.420 nan 0.000 0.220 456 P C 1.543 178.882 177.300 0.066 0.000 1.148 456 P CA 0.367 63.545 63.100 0.130 0.000 0.803 456 P CB 0.413 32.203 31.700 0.149 0.000 0.782 457 V N 1.195 121.134 119.914 0.041 0.000 2.295 457 V HA -0.236 3.884 4.120 -0.000 0.000 0.246 457 V C 2.836 178.946 176.094 0.026 0.000 1.049 457 V CA 2.355 64.670 62.300 0.025 0.000 1.024 457 V CB -1.710 30.124 31.823 0.018 0.000 0.648 457 V HN 0.121 nan 8.190 nan 0.000 0.447 458 A N -0.484 122.352 122.820 0.028 0.000 1.969 458 A HA -0.099 4.221 4.320 -0.000 0.000 0.218 458 A C 2.175 179.771 177.584 0.020 0.000 1.169 458 A CA 1.519 53.569 52.037 0.021 0.000 0.635 458 A CB -0.478 18.534 19.000 0.019 0.000 0.810 458 A HN 0.518 nan 8.150 nan 0.000 0.445 459 I N -1.054 119.535 120.570 0.032 0.000 2.202 459 I HA -0.228 3.942 4.170 -0.000 0.000 0.242 459 I C 2.701 178.832 176.117 0.024 0.000 1.091 459 I CA 1.526 62.845 61.300 0.031 0.000 1.368 459 I CB -0.313 37.719 38.000 0.054 0.000 1.058 459 I HN 0.372 nan 8.210 nan 0.000 0.410 460 R N 1.576 122.094 120.500 0.029 0.000 2.091 460 R HA -0.212 4.128 4.340 -0.000 0.000 0.238 460 R C 2.214 178.516 176.300 0.004 0.000 1.136 460 R CA 1.712 57.822 56.100 0.017 0.000 0.959 460 R CB -0.068 30.244 30.300 0.020 0.000 0.856 460 R HN 0.279 nan 8.270 nan 0.000 0.437 461 K N -0.354 120.050 120.400 0.008 0.000 2.148 461 K HA -0.058 4.262 4.320 -0.000 0.000 0.204 461 K C 2.030 178.621 176.600 -0.015 0.000 1.050 461 K CA 1.208 57.496 56.287 0.002 0.000 0.942 461 K CB -0.035 32.471 32.500 0.010 0.000 0.724 461 K HN 0.235 nan 8.250 nan 0.000 0.446 462 A N 1.530 124.342 122.820 -0.014 0.000 1.897 462 A HA -0.104 4.216 4.320 -0.000 0.000 0.215 462 A C 2.076 179.637 177.584 -0.039 0.000 1.181 462 A CA 0.868 52.888 52.037 -0.028 0.000 0.620 462 A CB -0.539 18.453 19.000 -0.014 0.000 0.821 462 A HN 0.300 nan 8.150 nan 0.000 0.443 463 L N -0.500 120.704 121.223 -0.031 0.000 1.989 463 L HA -0.294 4.045 4.340 -0.000 0.000 0.211 463 L C 2.675 179.494 176.870 -0.086 0.000 1.071 463 L CA 2.196 57.008 54.840 -0.048 0.000 0.749 463 L CB -0.438 41.597 42.059 -0.039 0.000 0.890 463 L HN 0.485 nan 8.230 nan 0.000 0.431 464 Q N -0.523 119.231 119.800 -0.077 0.000 2.124 464 Q HA -0.286 4.054 4.340 -0.000 0.000 0.202 464 Q C 2.063 178.027 176.000 -0.059 0.000 0.977 464 Q CA 1.933 57.684 55.803 -0.087 0.000 0.850 464 Q CB -0.139 28.578 28.738 -0.034 0.000 0.901 464 Q HN 0.613 nan 8.270 nan 0.000 0.429 465 E N 0.131 120.290 120.200 -0.069 0.000 2.106 465 E HA -0.211 4.139 4.350 -0.000 0.000 0.192 465 E C 2.054 178.529 176.600 -0.209 0.000 0.984 465 E CA 1.097 57.413 56.400 -0.141 0.000 0.806 465 E CB -0.128 29.453 29.700 -0.199 0.000 0.750 465 E HN 0.382 nan 8.360 nan 0.000 0.458 466 C N 0.683 119.909 119.300 -0.123 0.000 2.432 466 C HA -0.143 4.317 4.460 -0.000 0.000 0.277 466 C C 2.639 177.683 174.990 0.090 0.000 1.249 466 C CA 0.988 59.986 59.018 -0.035 0.000 1.725 466 C CB -0.776 26.974 27.740 0.015 0.000 2.028 466 C HN 0.527 nan 8.230 nan 0.000 0.477 467 M N 0.168 119.782 119.600 0.023 0.000 2.117 467 M HA -0.115 4.365 4.480 -0.000 0.000 0.262 467 M C 2.073 178.478 176.300 0.175 0.000 1.065 467 M CA 1.658 56.962 55.300 0.007 0.000 1.114 467 M CB -1.821 30.378 32.600 -0.668 0.000 1.361 467 M HN 0.495 nan 8.290 nan 0.000 0.408 468 Q N -0.150 119.767 119.800 0.196 0.000 2.124 468 Q HA -0.123 4.217 4.340 -0.000 0.000 0.202 468 Q C 1.898 178.112 176.000 0.358 0.000 0.977 468 Q CA 1.673 57.708 55.803 0.387 0.000 0.850 468 Q CB -0.175 28.773 28.738 0.350 0.000 0.901 468 Q HN 0.649 nan 8.270 nan 0.000 0.429 469 H N -1.337 117.787 119.070 0.091 0.000 2.436 469 H HA 0.088 4.644 4.556 -0.000 0.000 0.294 469 H C 0.853 176.170 175.328 -0.019 0.000 1.048 469 H CA 0.856 56.927 56.048 0.038 0.000 1.353 469 H CB 0.497 30.273 29.762 0.024 0.000 1.414 469 H HN 0.293 nan 8.280 nan 0.000 0.536 470 N N -0.309 118.424 118.700 0.056 0.000 2.197 470 N HA 0.027 4.767 4.740 -0.000 0.000 0.201 470 N C -0.412 174.661 175.510 -0.728 0.000 1.148 470 N CA 0.309 53.157 53.050 -0.337 0.000 0.883 470 N CB 0.837 39.039 38.487 -0.476 0.000 1.012 470 N HN 0.177 nan 8.380 nan 0.000 0.507 471 F N 0.029 120.073 119.950 0.157 0.000 2.733 471 F HA 0.334 4.861 4.527 -0.000 0.000 0.380 471 F C 0.895 176.883 175.800 0.314 0.000 1.324 471 F CA -0.522 57.602 58.000 0.208 0.000 1.178 471 F CB 0.311 39.415 39.000 0.173 0.000 1.093 471 F HN -0.228 nan 8.300 nan 0.000 0.512 472 S N -0.517 115.308 115.700 0.208 0.000 2.495 472 S HA 0.348 4.818 4.470 -0.000 0.000 0.273 472 S C 1.634 175.945 174.600 -0.481 0.000 1.156 472 S CA -0.126 57.988 58.200 -0.143 0.000 1.032 472 S CB 0.602 63.728 63.200 -0.123 0.000 1.160 472 S HN -0.046 nan 8.310 nan 0.000 0.489 473 V N 0.362 119.773 119.914 -0.838 0.000 2.343 473 V HA 0.025 4.145 4.120 -0.000 0.000 0.247 473 V C 0.282 175.941 176.094 -0.725 0.000 1.051 473 V CA 1.440 63.227 62.300 -0.855 0.000 1.036 473 V CB -0.720 30.605 31.823 -0.830 0.000 0.654 473 V HN 0.561 nan 8.190 nan 0.000 0.451 474 F N -0.304 119.470 119.950 -0.294 0.000 2.458 474 F HA 0.650 5.177 4.527 -0.000 0.000 0.336 474 F C 0.483 176.086 175.800 -0.329 0.000 1.114 474 F CA -0.845 56.925 58.000 -0.383 0.000 0.987 474 F CB 1.209 40.005 39.000 -0.340 0.000 1.130 474 F HN -0.130 nan 8.300 nan 0.000 0.458 475 R N 1.628 121.992 120.500 -0.227 0.000 2.892 475 R HA 0.694 5.034 4.340 -0.000 0.000 0.265 475 R C -1.129 175.107 176.300 -0.107 0.000 1.025 475 R CA -1.160 54.854 56.100 -0.143 0.000 0.982 475 R CB 2.559 32.798 30.300 -0.102 0.000 1.185 475 R HN 0.743 nan 8.270 nan 0.000 0.484 476 E N -0.539 119.661 120.200 -0.000 0.000 2.343 476 E HA 0.269 4.619 4.350 -0.000 0.000 0.278 476 E C -0.006 176.631 176.600 0.061 0.000 0.910 476 E CA -0.976 55.478 56.400 0.090 0.000 0.757 476 E CB 1.776 31.592 29.700 0.193 0.000 1.218 476 E HN 0.578 nan 8.360 nan 0.000 0.435 477 G N 2.612 111.472 108.800 0.100 0.000 2.476 477 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.218 477 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.218 477 G C 0.761 175.711 174.900 0.083 0.000 1.164 477 G CA 1.383 46.556 45.100 0.122 0.000 0.768 477 G HN 0.591 nan 8.290 nan 0.000 0.560 478 D N 0.869 121.306 120.400 0.061 0.000 2.097 478 D HA -0.008 4.632 4.640 -0.000 0.000 0.195 478 D C 2.838 179.154 176.300 0.027 0.000 0.989 478 D CA 1.328 55.356 54.000 0.046 0.000 0.827 478 D CB -0.575 40.245 40.800 0.034 0.000 0.966 478 D HN 0.307 nan 8.370 nan 0.000 0.456 479 A N 0.526 123.348 122.820 0.003 0.000 1.902 479 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 479 A C 2.265 179.784 177.584 -0.109 0.000 1.181 479 A CA 1.262 53.276 52.037 -0.038 0.000 0.623 479 A CB -0.526 18.448 19.000 -0.045 0.000 0.818 479 A HN 0.144 nan 8.150 nan 0.000 0.443 480 M N -0.639 118.877 119.600 -0.140 0.000 2.117 480 M HA -0.160 4.320 4.480 -0.000 0.000 0.262 480 M C 2.545 178.895 176.300 0.083 0.000 1.065 480 M CA 1.447 56.640 55.300 -0.178 0.000 1.114 480 M CB -0.446 32.134 32.600 -0.032 0.000 1.361 480 M HN 0.500 nan 8.290 nan 0.000 0.408 481 A N 0.428 123.302 122.820 0.090 0.000 1.933 481 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 481 A C 2.086 179.733 177.584 0.105 0.000 1.175 481 A CA 1.710 53.816 52.037 0.115 0.000 0.628 481 A CB -0.444 18.617 19.000 0.102 0.000 0.814 481 A HN 0.408 nan 8.150 nan 0.000 0.444 482 K N -0.740 119.704 120.400 0.073 0.000 2.025 482 K HA -0.036 4.284 4.320 -0.000 0.000 0.207 482 K C 2.169 178.826 176.600 0.094 0.000 1.049 482 K CA 1.010 57.339 56.287 0.070 0.000 0.933 482 K CB -0.487 32.041 32.500 0.046 0.000 0.714 482 K HN 0.441 nan 8.250 nan 0.000 0.438 483 G N 1.715 110.574 108.800 0.098 0.000 2.476 483 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.218 483 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.218 483 G C 1.411 176.470 174.900 0.265 0.000 1.164 483 G CA 0.837 46.051 45.100 0.191 0.000 0.768 483 G HN 0.158 nan 8.290 nan 0.000 0.560 484 L N 0.677 122.072 121.223 0.285 0.000 2.012 484 L HA -0.050 4.290 4.340 -0.000 0.000 0.210 484 L C 2.649 179.628 176.870 0.181 0.000 1.073 484 L CA 2.100 57.064 54.840 0.206 0.000 0.748 484 L CB -0.602 41.556 42.059 0.165 0.000 0.891 484 L HN 0.129 nan 8.230 nan 0.000 0.431 485 E N -0.330 119.958 120.200 0.148 0.000 2.085 485 E HA -0.270 4.080 4.350 -0.000 0.000 0.194 485 E C 2.213 178.877 176.600 0.106 0.000 0.994 485 E CA 1.456 57.929 56.400 0.121 0.000 0.801 485 E CB -0.311 29.444 29.700 0.092 0.000 0.743 485 E HN 0.664 nan 8.360 nan 0.000 0.453 486 Q N 0.066 119.927 119.800 0.101 0.000 2.084 486 Q HA -0.073 4.266 4.340 -0.000 0.000 0.202 486 Q C 2.436 178.486 176.000 0.082 0.000 0.978 486 Q CA 0.978 56.827 55.803 0.077 0.000 0.844 486 Q CB -0.137 28.641 28.738 0.066 0.000 0.898 486 Q HN 0.250 nan 8.270 nan 0.000 0.426 487 L N 0.404 121.700 121.223 0.121 0.000 2.131 487 L HA -0.207 4.133 4.340 -0.000 0.000 0.210 487 L C 2.214 179.153 176.870 0.116 0.000 1.092 487 L CA 1.106 56.024 54.840 0.129 0.000 0.759 487 L CB -0.282 41.892 42.059 0.192 0.000 0.903 487 L HN 0.157 nan 8.230 nan 0.000 0.435 488 K N -0.444 120.040 120.400 0.141 0.000 2.057 488 K HA -0.128 4.192 4.320 -0.000 0.000 0.207 488 K C 2.061 178.669 176.600 0.013 0.000 1.049 488 K CA 1.127 57.456 56.287 0.070 0.000 0.931 488 K CB -0.148 32.420 32.500 0.113 0.000 0.714 488 K HN 0.097 nan 8.250 nan 0.000 0.440 489 V N 1.690 121.623 119.914 0.032 0.000 2.307 489 V HA -0.233 3.887 4.120 -0.000 0.000 0.245 489 V C 2.158 178.252 176.094 -0.001 0.000 1.045 489 V CA 1.600 63.908 62.300 0.013 0.000 1.024 489 V CB -0.327 31.509 31.823 0.021 0.000 0.651 489 V HN 0.268 nan 8.190 nan 0.000 0.449 490 I N -0.362 120.213 120.570 0.008 0.000 2.286 490 I HA -0.239 3.931 4.170 -0.000 0.000 0.248 490 I C 2.728 178.836 176.117 -0.016 0.000 1.115 490 I CA 1.523 62.824 61.300 0.001 0.000 1.392 490 I CB -0.418 37.588 38.000 0.010 0.000 1.065 490 I HN 0.207 nan 8.210 nan 0.000 0.418 491 R N 0.783 121.262 120.500 -0.034 0.000 2.120 491 R HA -0.175 4.165 4.340 -0.000 0.000 0.234 491 R C 2.029 178.282 176.300 -0.079 0.000 1.123 491 R CA 1.259 57.314 56.100 -0.075 0.000 0.975 491 R CB 0.027 30.233 30.300 -0.157 0.000 0.866 491 R HN 0.304 nan 8.270 nan 0.000 0.446 492 E N 0.554 120.715 120.200 -0.065 0.000 2.072 492 E HA -0.145 4.205 4.350 -0.000 0.000 0.190 492 E C 2.069 178.634 176.600 -0.060 0.000 0.982 492 E CA 0.991 57.353 56.400 -0.063 0.000 0.803 492 E CB -0.148 29.525 29.700 -0.045 0.000 0.755 492 E HN 0.344 nan 8.360 nan 0.000 0.453 493 R N 0.424 120.898 120.500 -0.042 0.000 2.103 493 R HA -0.147 4.193 4.340 -0.000 0.000 0.242 493 R C 2.351 178.617 176.300 -0.057 0.000 1.142 493 R CA 0.976 57.053 56.100 -0.039 0.000 0.960 493 R CB -0.415 29.875 30.300 -0.017 0.000 0.858 493 R HN 0.069 nan 8.270 nan 0.000 0.439 494 L N 1.537 122.728 121.223 -0.054 0.000 2.201 494 L HA -0.126 4.214 4.340 -0.000 0.000 0.212 494 L C 1.301 178.064 176.870 -0.178 0.000 1.105 494 L CA 1.767 56.568 54.840 -0.066 0.000 0.775 494 L CB -0.165 41.886 42.059 -0.012 0.000 0.913 494 L HN -0.007 nan 8.230 nan 0.000 0.440 495 K N -0.888 119.416 120.400 -0.159 0.000 2.439 495 K HA -0.074 4.246 4.320 -0.000 0.000 0.197 495 K C 0.827 177.292 176.600 -0.225 0.000 1.041 495 K CA 0.858 57.025 56.287 -0.200 0.000 0.970 495 K CB -0.098 32.319 32.500 -0.139 0.000 0.773 495 K HN 0.219 nan 8.250 nan 0.000 0.479 496 N N 0.365 118.954 118.700 -0.185 0.000 2.338 496 N HA 0.136 4.876 4.740 -0.000 0.000 0.251 496 N C -1.256 174.158 175.510 -0.159 0.000 1.199 496 N CA -0.270 52.682 53.050 -0.163 0.000 0.879 496 N CB 0.614 39.043 38.487 -0.097 0.000 1.159 496 N HN 0.065 nan 8.380 nan 0.000 0.514 497 A N 0.779 123.453 122.820 -0.244 0.000 2.340 497 A HA 0.534 4.854 4.320 -0.000 0.000 0.268 497 A C 0.397 177.924 177.584 -0.095 0.000 1.100 497 A CA -0.592 51.369 52.037 -0.126 0.000 0.803 497 A CB 0.367 19.358 19.000 -0.014 0.000 1.043 497 A HN 0.537 nan 8.150 nan 0.000 0.488 498 R N 1.028 121.595 120.500 0.112 0.000 2.536 498 R HA 0.675 5.015 4.340 -0.000 0.000 0.279 498 R C -1.204 175.298 176.300 0.336 0.000 1.001 498 R CA -0.711 55.487 56.100 0.163 0.000 1.027 498 R CB 0.789 31.142 30.300 0.088 0.000 1.096 498 R HN 0.457 nan 8.270 nan 0.000 0.502 499 L N 2.774 124.175 121.223 0.297 0.000 2.277 499 L HA 0.291 4.630 4.340 -0.000 0.000 0.284 499 L C -0.331 176.597 176.870 0.096 0.000 1.028 499 L CA -0.020 54.947 54.840 0.212 0.000 0.835 499 L CB 1.352 43.556 42.059 0.242 0.000 1.215 499 L HN 0.748 nan 8.230 nan 0.000 0.425 500 D N 1.568 122.001 120.400 0.055 0.000 2.323 500 D HA -0.008 4.631 4.640 -0.000 0.000 0.209 500 D C -0.286 176.023 176.300 0.015 0.000 0.973 500 D CA 0.712 54.731 54.000 0.033 0.000 0.874 500 D CB 0.374 41.188 40.800 0.024 0.000 0.930 500 D HN 0.568 nan 8.370 nan 0.000 0.521 501 D N -0.495 119.906 120.400 0.001 0.000 2.381 501 D HA 0.090 4.730 4.640 -0.000 0.000 0.235 501 D C 0.332 176.627 176.300 -0.008 0.000 1.068 501 D CA -0.162 53.834 54.000 -0.008 0.000 0.832 501 D CB 1.491 42.278 40.800 -0.022 0.000 1.101 501 D HN -0.264 nan 8.370 nan 0.000 0.515 502 T N 1.331 115.885 114.554 0.001 0.000 3.054 502 T HA 0.122 4.472 4.350 -0.000 0.000 0.255 502 T C 0.561 175.259 174.700 -0.003 0.000 1.035 502 T CA 0.176 62.279 62.100 0.004 0.000 0.941 502 T CB -0.203 68.674 68.868 0.015 0.000 1.026 502 T HN 0.445 nan 8.240 nan 0.000 0.533 503 S N 0.782 116.478 115.700 -0.007 0.000 2.580 503 S HA 0.186 4.656 4.470 -0.000 0.000 0.266 503 S C 1.439 176.029 174.600 -0.016 0.000 1.354 503 S CA 0.131 58.327 58.200 -0.006 0.000 1.008 503 S CB 1.153 64.353 63.200 0.000 0.000 0.898 503 S HN 0.406 nan 8.310 nan 0.000 0.555 504 S N -0.887 114.806 115.700 -0.012 0.000 2.506 504 S HA 0.190 4.660 4.470 -0.000 0.000 0.219 504 S C 0.252 174.837 174.600 -0.025 0.000 1.031 504 S CA -0.151 58.033 58.200 -0.026 0.000 0.911 504 S CB -0.409 62.780 63.200 -0.018 0.000 0.812 504 S HN 0.784 nan 8.310 nan 0.000 0.497 505 E N 1.429 121.634 120.200 0.008 0.000 2.052 505 E HA 0.397 4.747 4.350 -0.000 0.000 0.283 505 E C -0.797 175.878 176.600 0.124 0.000 1.071 505 E CA -0.717 55.713 56.400 0.049 0.000 0.851 505 E CB -0.626 29.106 29.700 0.054 0.000 1.066 505 E HN 0.283 nan 8.360 nan 0.000 0.396 506 F N 3.467 123.381 119.950 -0.059 0.000 2.943 506 F HA -0.293 4.234 4.527 -0.000 0.000 0.258 506 F C -0.242 175.521 175.800 -0.062 0.000 0.995 506 F CA 0.406 58.370 58.000 -0.060 0.000 0.896 506 F CB -0.446 38.527 39.000 -0.045 0.000 0.821 506 F HN 0.473 nan 8.300 nan 0.000 0.828 507 N N 1.394 120.060 118.700 -0.057 0.000 2.482 507 N HA 0.103 4.842 4.740 -0.000 0.000 0.242 507 N C 1.210 176.636 175.510 -0.140 0.000 1.100 507 N CA 0.604 53.617 53.050 -0.061 0.000 0.946 507 N CB 0.871 39.308 38.487 -0.084 0.000 1.227 507 N HN 0.388 nan 8.380 nan 0.000 0.508 508 T N 0.510 115.025 114.554 -0.065 0.000 3.085 508 T HA -0.107 4.243 4.350 -0.000 0.000 0.263 508 T C 1.405 176.016 174.700 -0.148 0.000 1.127 508 T CA 0.642 62.678 62.100 -0.107 0.000 1.103 508 T CB 0.143 69.017 68.868 0.011 0.000 0.921 508 T HN 0.388 nan 8.240 nan 0.000 0.510 509 Q N 1.854 121.575 119.800 -0.132 0.000 2.083 509 Q HA 0.055 4.395 4.340 -0.000 0.000 0.198 509 Q C 2.453 178.292 176.000 -0.267 0.000 0.969 509 Q CA 1.390 57.095 55.803 -0.162 0.000 0.838 509 Q CB -0.378 28.293 28.738 -0.111 0.000 0.900 509 Q HN 0.610 nan 8.270 nan 0.000 0.436 510 R N -0.699 119.642 120.500 -0.265 0.000 2.091 510 R HA -0.131 4.209 4.340 -0.000 0.000 0.238 510 R C 1.910 177.912 176.300 -0.497 0.000 1.136 510 R CA 1.706 57.590 56.100 -0.360 0.000 0.959 510 R CB -0.299 29.849 30.300 -0.253 0.000 0.856 510 R HN 0.262 nan 8.270 nan 0.000 0.437 511 V N 1.228 120.868 119.914 -0.458 0.000 2.358 511 V HA -0.203 3.917 4.120 -0.000 0.000 0.246 511 V C 1.976 177.766 176.094 -0.506 0.000 1.047 511 V CA 2.088 64.024 62.300 -0.606 0.000 1.035 511 V CB -0.443 31.098 31.823 -0.470 0.000 0.658 511 V HN 0.431 nan 8.190 nan 0.000 0.452 512 E N -0.926 119.060 120.200 -0.356 0.000 2.150 512 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 512 E C 2.240 178.624 176.600 -0.360 0.000 0.985 512 E CA 1.458 57.697 56.400 -0.269 0.000 0.814 512 E CB -0.267 29.327 29.700 -0.176 0.000 0.752 512 E HN 0.601 nan 8.360 nan 0.000 0.466 513 C N 0.579 119.526 119.300 -0.589 0.000 2.453 513 C HA -0.089 4.371 4.460 -0.000 0.000 0.277 513 C C 2.553 176.986 174.990 -0.928 0.000 1.262 513 C CA 0.404 58.804 59.018 -1.029 0.000 1.718 513 C CB -0.861 25.768 27.740 -1.850 0.000 2.031 513 C HN 0.398 nan 8.230 nan 0.000 0.480 514 L N 0.701 121.437 121.223 -0.812 0.000 2.079 514 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 514 L C 2.581 179.393 176.870 -0.097 0.000 1.081 514 L CA 1.643 56.252 54.840 -0.385 0.000 0.752 514 L CB -0.741 41.068 42.059 -0.417 0.000 0.896 514 L HN 0.449 nan 8.230 nan 0.000 0.433 515 E N -0.171 119.942 120.200 -0.145 0.000 2.110 515 E HA -0.263 4.087 4.350 -0.000 0.000 0.193 515 E C 2.111 178.730 176.600 0.032 0.000 0.988 515 E CA 1.023 57.438 56.400 0.024 0.000 0.804 515 E CB -0.202 29.502 29.700 0.008 0.000 0.745 515 E HN 0.244 nan 8.360 nan 0.000 0.458 516 L N 1.821 123.036 121.223 -0.014 0.000 2.079 516 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 516 L C 1.432 178.375 176.870 0.122 0.000 1.081 516 L CA 1.884 56.756 54.840 0.054 0.000 0.752 516 L CB -0.429 41.672 42.059 0.070 0.000 0.896 516 L HN 0.008 nan 8.230 nan 0.000 0.433 517 D N -0.417 120.098 120.400 0.191 0.000 2.123 517 D HA -0.179 4.461 4.640 -0.000 0.000 0.196 517 D C 1.820 178.191 176.300 0.119 0.000 0.992 517 D CA 1.324 55.439 54.000 0.192 0.000 0.833 517 D CB -0.245 40.710 40.800 0.259 0.000 0.954 517 D HN 0.459 nan 8.370 nan 0.000 0.455 518 N N 0.337 119.104 118.700 0.112 0.000 2.300 518 N HA -0.019 4.721 4.740 -0.000 0.000 0.179 518 N C 2.174 177.721 175.510 0.062 0.000 1.016 518 N CA 0.161 53.264 53.050 0.088 0.000 0.876 518 N CB -0.194 38.351 38.487 0.097 0.000 0.979 518 N HN 0.245 nan 8.380 nan 0.000 0.432 519 L N 0.340 121.594 121.223 0.052 0.000 2.042 519 L HA -0.165 4.175 4.340 -0.000 0.000 0.210 519 L C 2.450 179.326 176.870 0.010 0.000 1.076 519 L CA 1.104 55.956 54.840 0.020 0.000 0.749 519 L CB -0.324 41.738 42.059 0.005 0.000 0.893 519 L HN 0.133 nan 8.230 nan 0.000 0.432 520 M N -0.236 119.382 119.600 0.030 0.000 2.099 520 M HA -0.169 4.311 4.480 -0.000 0.000 0.262 520 M C 2.170 178.493 176.300 0.038 0.000 1.067 520 M CA 1.748 57.063 55.300 0.024 0.000 1.124 520 M CB -0.341 32.275 32.600 0.027 0.000 1.353 520 M HN 0.045 nan 8.290 nan 0.000 0.410 521 E N -0.580 119.648 120.200 0.046 0.000 2.110 521 E HA -0.151 4.199 4.350 -0.000 0.000 0.193 521 E C 2.056 178.680 176.600 0.040 0.000 0.988 521 E CA 1.954 58.392 56.400 0.063 0.000 0.804 521 E CB -0.816 28.925 29.700 0.069 0.000 0.745 521 E HN 0.563 nan 8.360 nan 0.000 0.458 522 T N 1.215 115.785 114.554 0.026 0.000 2.737 522 T HA -0.052 4.298 4.350 -0.000 0.000 0.265 522 T C 1.983 176.670 174.700 -0.023 0.000 1.038 522 T CA 1.396 63.510 62.100 0.023 0.000 1.144 522 T CB -0.206 68.707 68.868 0.076 0.000 0.866 522 T HN 0.274 nan 8.240 nan 0.000 0.434 523 A N 0.533 123.318 122.820 -0.059 0.000 1.908 523 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 523 A C 2.115 179.591 177.584 -0.180 0.000 1.181 523 A CA 1.590 53.530 52.037 -0.162 0.000 0.627 523 A CB -1.044 17.867 19.000 -0.150 0.000 0.818 523 A HN 0.560 nan 8.150 nan 0.000 0.445 524 Y N 0.458 120.634 120.300 -0.207 0.000 2.163 524 Y HA -0.062 4.487 4.550 -0.000 0.000 0.288 524 Y C 2.738 178.425 175.900 -0.355 0.000 1.136 524 Y CA 1.211 59.179 58.100 -0.222 0.000 1.147 524 Y CB -0.614 37.767 38.460 -0.132 0.000 0.987 524 Y HN 0.312 nan 8.280 nan 0.000 0.509 525 A N -0.829 121.729 122.820 -0.437 0.000 1.908 525 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 525 A C 2.249 179.532 177.584 -0.501 0.000 1.181 525 A CA 2.445 53.989 52.037 -0.822 0.000 0.627 525 A CB -1.388 17.212 19.000 -0.667 0.000 0.818 525 A HN 0.505 nan 8.150 nan 0.000 0.445 526 T N 0.182 114.562 114.554 -0.289 0.000 2.746 526 T HA -0.036 4.314 4.350 -0.000 0.000 0.267 526 T C 2.219 176.712 174.700 -0.344 0.000 1.039 526 T CA 1.686 63.691 62.100 -0.158 0.000 1.142 526 T CB -0.456 68.420 68.868 0.013 0.000 0.866 526 T HN 0.619 nan 8.240 nan 0.000 0.444 527 A N 0.909 123.357 122.820 -0.620 0.000 1.877 527 A HA -0.038 4.282 4.320 -0.000 0.000 0.216 527 A C 2.582 179.976 177.584 -0.316 0.000 1.186 527 A CA 1.355 52.899 52.037 -0.822 0.000 0.620 527 A CB -0.986 17.519 19.000 -0.826 0.000 0.822 527 A HN 0.355 nan 8.150 nan 0.000 0.443 528 V N 0.053 119.725 119.914 -0.403 0.000 2.407 528 V HA -0.211 3.909 4.120 -0.000 0.000 0.248 528 V C 2.759 178.824 176.094 -0.048 0.000 1.055 528 V CA 2.300 64.460 62.300 -0.234 0.000 1.049 528 V CB -0.770 30.869 31.823 -0.308 0.000 0.662 528 V HN 0.557 nan 8.190 nan 0.000 0.455 529 S N 0.357 116.008 115.700 -0.082 0.000 2.357 529 S HA -0.091 4.378 4.470 -0.000 0.000 0.221 529 S C 2.253 176.894 174.600 0.069 0.000 1.031 529 S CA 1.279 59.504 58.200 0.041 0.000 0.982 529 S CB -0.479 62.717 63.200 -0.007 0.000 0.853 529 S HN 0.635 nan 8.310 nan 0.000 0.458 530 A N 2.579 125.430 122.820 0.052 0.000 1.933 530 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 530 A C 1.967 179.695 177.584 0.240 0.000 1.175 530 A CA 1.357 53.487 52.037 0.155 0.000 0.628 530 A CB -0.674 18.579 19.000 0.421 0.000 0.814 530 A HN 0.466 nan 8.150 nan 0.000 0.444 531 N N -1.300 117.550 118.700 0.249 0.000 2.188 531 N HA -0.141 4.599 4.740 -0.000 0.000 0.184 531 N C 1.563 177.189 175.510 0.192 0.000 1.018 531 N CA 1.544 54.733 53.050 0.231 0.000 0.858 531 N CB -0.329 38.287 38.487 0.215 0.000 0.989 531 N HN 0.519 nan 8.380 nan 0.000 0.426 532 F N 2.111 122.069 119.950 0.012 0.000 2.102 532 F HA -0.049 4.478 4.527 -0.000 0.000 0.298 532 F C 1.271 176.961 175.800 -0.184 0.000 1.105 532 F CA 0.984 58.990 58.000 0.010 0.000 1.239 532 F CB -0.184 38.855 39.000 0.064 0.000 0.991 532 F HN -0.200 nan 8.300 nan 0.000 0.474 533 R N 1.377 121.588 120.500 -0.481 0.000 2.309 533 R HA 0.114 4.454 4.340 -0.000 0.000 0.331 533 R C -0.568 175.164 176.300 -0.947 0.000 1.116 533 R CA 0.448 55.807 56.100 -1.234 0.000 0.970 533 R CB -0.272 29.484 30.300 -0.906 0.000 1.024 533 R HN 0.260 nan 8.270 nan 0.000 0.472 534 T N 1.840 115.598 114.554 -1.326 0.000 3.629 534 T HA 0.240 4.590 4.350 -0.000 0.000 0.317 534 T C -0.345 173.803 174.700 -0.919 0.000 1.690 534 T CA -0.606 60.855 62.100 -1.065 0.000 1.276 534 T CB -0.298 67.802 68.868 -1.280 0.000 1.205 534 T HN 0.777 nan 8.240 nan 0.000 0.824 535 E N -0.554 119.342 120.200 -0.507 0.000 2.435 535 E HA 0.571 4.921 4.350 -0.000 0.000 0.277 535 E C -1.630 174.941 176.600 -0.049 0.000 1.106 535 E CA -1.215 55.077 56.400 -0.180 0.000 0.868 535 E CB 0.486 30.041 29.700 -0.242 0.000 1.454 535 E HN 0.047 nan 8.360 nan 0.000 0.452 536 S N -0.035 115.672 115.700 0.013 0.000 2.478 536 S HA 0.678 5.148 4.470 -0.000 0.000 0.312 536 S C -1.003 173.633 174.600 0.060 0.000 1.094 536 S CA -0.757 57.442 58.200 -0.001 0.000 1.081 536 S CB 1.065 64.258 63.200 -0.011 0.000 1.007 536 S HN 0.495 nan 8.310 nan 0.000 0.475 537 R N 1.726 122.282 120.500 0.093 0.000 2.535 537 R HA 0.524 4.864 4.340 -0.000 0.000 0.274 537 R C 0.716 177.084 176.300 0.113 0.000 1.090 537 R CA 0.220 56.383 56.100 0.106 0.000 0.930 537 R CB 0.825 31.191 30.300 0.110 0.000 1.223 537 R HN 0.879 nan 8.270 nan 0.000 0.441 538 G N 2.424 111.283 108.800 0.099 0.000 2.684 538 G HA2 -0.476 3.484 3.960 -0.000 0.000 0.332 538 G HA3 -0.476 3.484 3.960 -0.000 0.000 0.332 538 G C 0.854 175.807 174.900 0.087 0.000 1.306 538 G CA 0.944 46.100 45.100 0.093 0.000 1.002 538 G HN 0.934 nan 8.290 nan 0.000 0.545 539 A N -0.752 122.136 122.820 0.114 0.000 2.121 539 A HA 0.209 4.529 4.320 -0.000 0.000 0.218 539 A C 1.268 178.943 177.584 0.152 0.000 1.154 539 A CA 1.978 54.094 52.037 0.133 0.000 0.679 539 A CB -0.360 18.760 19.000 0.200 0.000 0.795 539 A HN 1.274 nan 8.150 nan 0.000 0.458 540 H N 0.343 119.444 119.070 0.052 0.000 2.782 540 H HA 0.541 5.097 4.556 -0.000 0.000 0.285 540 H C -0.542 174.772 175.328 -0.022 0.000 1.093 540 H CA 0.207 56.274 56.048 0.033 0.000 1.410 540 H CB 0.398 30.175 29.762 0.025 0.000 1.439 540 H HN 0.068 nan 8.280 nan 0.000 0.469 541 S N 5.613 121.069 115.700 -0.406 0.000 2.707 541 S HA 0.529 4.999 4.470 -0.000 0.000 0.303 541 S C -0.961 173.391 174.600 -0.414 0.000 1.132 541 S CA -0.867 57.125 58.200 -0.347 0.000 1.046 541 S CB 0.330 63.356 63.200 -0.290 0.000 1.004 541 S HN 0.776 nan 8.310 nan 0.000 0.483 542 R N 3.284 123.578 120.500 -0.344 0.000 2.534 542 R HA 0.412 4.751 4.340 -0.000 0.000 0.301 542 R C -0.103 176.096 176.300 -0.168 0.000 0.961 542 R CA -0.615 55.328 56.100 -0.261 0.000 0.871 542 R CB 0.899 31.140 30.300 -0.097 0.000 1.170 542 R HN 0.582 nan 8.270 nan 0.000 0.446 543 F N 1.420 121.374 119.950 0.007 0.000 2.146 543 F HA -0.179 4.348 4.527 -0.000 0.000 0.298 543 F C 2.157 177.905 175.800 -0.088 0.000 1.096 543 F CA 1.422 59.398 58.000 -0.041 0.000 1.275 543 F CB -0.142 38.815 39.000 -0.072 0.000 1.008 543 F HN 0.596 nan 8.300 nan 0.000 0.480 544 D N -0.863 119.571 120.400 0.058 0.000 2.264 544 D HA -0.191 4.449 4.640 -0.000 0.000 0.208 544 D C 0.173 176.137 176.300 -0.562 0.000 0.966 544 D CA 0.959 54.824 54.000 -0.226 0.000 0.864 544 D CB -0.713 39.947 40.800 -0.234 0.000 0.933 544 D HN 0.261 nan 8.370 nan 0.000 0.499 545 F N 0.307 120.267 119.950 0.015 0.000 2.769 545 F HA 0.305 4.831 4.527 -0.000 0.000 0.358 545 F C -1.850 173.942 175.800 -0.013 0.000 1.285 545 F CA -1.977 56.025 58.000 0.003 0.000 1.199 545 F CB 2.016 41.002 39.000 -0.023 0.000 1.558 545 F HN -0.202 nan 8.300 nan 0.000 0.583 546 P HA -0.021 nan 4.420 nan 0.000 0.233 546 P C -0.279 177.076 177.300 0.092 0.000 1.167 546 P CA 0.855 64.007 63.100 0.086 0.000 0.770 546 P CB 0.503 32.257 31.700 0.089 0.000 0.837 547 D N 0.337 120.806 120.400 0.116 0.000 2.229 547 D HA 0.195 4.835 4.640 -0.000 0.000 0.249 547 D C 0.189 176.554 176.300 0.108 0.000 1.027 547 D CA -0.541 53.523 54.000 0.106 0.000 0.923 547 D CB 1.506 42.371 40.800 0.108 0.000 1.174 547 D HN -0.122 nan 8.370 nan 0.000 0.443 548 R N 1.024 121.583 120.500 0.099 0.000 2.389 548 R HA 0.075 4.415 4.340 -0.000 0.000 0.295 548 R C -0.725 175.646 176.300 0.119 0.000 1.075 548 R CA -0.159 56.004 56.100 0.105 0.000 1.005 548 R CB 0.435 30.796 30.300 0.102 0.000 0.987 548 R HN 0.255 nan 8.270 nan 0.000 0.452 549 D N 3.232 123.725 120.400 0.154 0.000 2.458 549 D HA 0.103 4.742 4.640 -0.000 0.000 0.258 549 D C -0.317 176.085 176.300 0.170 0.000 1.134 549 D CA -0.454 53.655 54.000 0.181 0.000 0.915 549 D CB 0.961 41.929 40.800 0.280 0.000 1.028 549 D HN 0.447 nan 8.370 nan 0.000 0.508 550 D N 1.844 122.304 120.400 0.099 0.000 2.264 550 D HA -0.103 4.536 4.640 -0.000 0.000 0.208 550 D C 1.417 177.734 176.300 0.028 0.000 0.966 550 D CA 0.691 54.730 54.000 0.065 0.000 0.864 550 D CB 0.423 41.238 40.800 0.024 0.000 0.933 550 D HN 0.608 nan 8.370 nan 0.000 0.499 551 E N 0.143 120.353 120.200 0.017 0.000 2.072 551 E HA -0.076 4.274 4.350 -0.000 0.000 0.191 551 E C 1.374 177.918 176.600 -0.093 0.000 0.985 551 E CA 0.648 57.032 56.400 -0.027 0.000 0.801 551 E CB 0.159 29.847 29.700 -0.020 0.000 0.750 551 E HN 0.233 nan 8.360 nan 0.000 0.452 552 N N -1.473 117.146 118.700 -0.135 0.000 2.368 552 N HA -0.001 4.739 4.740 -0.000 0.000 0.178 552 N C 0.438 175.569 175.510 -0.630 0.000 1.076 552 N CA 0.494 53.285 53.050 -0.432 0.000 0.889 552 N CB 0.333 38.480 38.487 -0.566 0.000 1.040 552 N HN 0.216 nan 8.380 nan 0.000 0.463 553 W N 0.373 121.639 121.300 -0.056 0.000 2.284 553 W HA 0.368 5.028 4.660 -0.000 0.000 0.334 553 W C -0.125 176.370 176.519 -0.040 0.000 0.917 553 W CA -0.556 56.750 57.345 -0.064 0.000 1.621 553 W CB 0.359 29.772 29.460 -0.078 0.000 1.129 553 W HN -0.173 nan 8.180 nan 0.000 0.528 554 L N 3.712 125.006 121.223 0.120 0.000 2.382 554 L HA 0.339 4.679 4.340 -0.000 0.000 0.259 554 L C 0.165 177.046 176.870 0.018 0.000 1.291 554 L CA -0.015 54.867 54.840 0.071 0.000 1.176 554 L CB -1.160 40.924 42.059 0.042 0.000 1.373 554 L HN 0.165 nan 8.230 nan 0.000 0.426 555 C N -0.185 119.123 119.300 0.013 0.000 3.165 555 C HA 0.407 4.867 4.460 -0.000 0.000 0.345 555 C C -0.484 174.474 174.990 -0.055 0.000 1.367 555 C CA -1.190 57.803 59.018 -0.042 0.000 1.205 555 C CB 1.088 28.845 27.740 0.029 0.000 1.447 555 C HN 0.520 nan 8.230 nan 0.000 0.451 556 H N 1.239 120.385 119.070 0.128 0.000 2.505 556 H HA 0.611 5.167 4.556 -0.000 0.000 0.351 556 H C 0.478 175.922 175.328 0.193 0.000 1.151 556 H CA 0.838 56.962 56.048 0.127 0.000 1.339 556 H CB 1.888 31.695 29.762 0.074 0.000 1.483 556 H HN 0.956 nan 8.280 nan 0.000 0.558 557 S N 2.360 118.260 115.700 0.334 0.000 2.541 557 S HA 0.438 4.908 4.470 -0.000 0.000 0.283 557 S C -0.482 174.250 174.600 0.221 0.000 1.196 557 S CA -0.848 57.572 58.200 0.368 0.000 1.062 557 S CB 1.106 64.535 63.200 0.380 0.000 1.009 557 S HN 0.365 nan 8.310 nan 0.000 0.502 558 L N 3.536 124.852 121.223 0.155 0.000 2.372 558 L HA 0.496 4.835 4.340 -0.000 0.000 0.274 558 L C -1.425 175.464 176.870 0.032 0.000 0.988 558 L CA -0.735 54.149 54.840 0.073 0.000 0.833 558 L CB 1.634 43.718 42.059 0.040 0.000 1.236 558 L HN 0.868 nan 8.230 nan 0.000 0.410 559 Y N 5.544 125.800 120.300 -0.073 0.000 2.350 559 Y HA 0.569 5.119 4.550 -0.000 0.000 0.340 559 Y C -0.990 174.870 175.900 -0.067 0.000 1.006 559 Y CA -0.600 57.443 58.100 -0.095 0.000 1.166 559 Y CB 0.791 39.208 38.460 -0.071 0.000 1.168 559 Y HN 0.508 nan 8.280 nan 0.000 0.502 560 L N 10.050 130.920 121.223 -0.588 0.000 2.259 560 L HA 0.316 4.655 4.340 -0.000 0.000 0.288 560 L C -1.576 174.898 176.870 -0.661 0.000 1.051 560 L CA -1.788 52.772 54.840 -0.468 0.000 0.824 560 L CB 1.187 43.075 42.059 -0.286 0.000 1.206 560 L HN 0.583 nan 8.230 nan 0.000 0.429 561 P HA -0.122 nan 4.420 nan 0.000 0.219 561 P C 0.899 178.094 177.300 -0.176 0.000 1.150 561 P CA 1.131 64.043 63.100 -0.313 0.000 0.814 561 P CB 0.466 32.136 31.700 -0.050 0.000 0.787 562 E N 0.182 120.293 120.200 -0.148 0.000 2.107 562 E HA -0.077 4.272 4.350 -0.000 0.000 0.191 562 E C 1.828 178.374 176.600 -0.090 0.000 0.982 562 E CA 1.595 57.940 56.400 -0.092 0.000 0.809 562 E CB -0.237 29.419 29.700 -0.074 0.000 0.756 562 E HN 0.348 nan 8.360 nan 0.000 0.459 563 S N -0.168 115.455 115.700 -0.128 0.000 2.540 563 S HA 0.090 4.559 4.470 -0.000 0.000 0.218 563 S C 0.248 174.792 174.600 -0.093 0.000 0.977 563 S CA -0.229 57.914 58.200 -0.095 0.000 0.918 563 S CB 0.135 63.279 63.200 -0.094 0.000 0.806 563 S HN 0.162 nan 8.310 nan 0.000 0.496 564 E N 1.465 121.563 120.200 -0.169 0.000 2.360 564 E HA -0.185 4.165 4.350 -0.000 0.000 0.238 564 E C -0.134 176.426 176.600 -0.066 0.000 1.186 564 E CA 0.636 56.980 56.400 -0.095 0.000 0.719 564 E CB -1.945 27.870 29.700 0.192 0.000 1.236 564 E HN 0.822 nan 8.360 nan 0.000 0.386 565 S N -1.320 114.244 115.700 -0.228 0.000 2.704 565 S HA 0.807 5.277 4.470 -0.000 0.000 0.296 565 S C -0.168 174.275 174.600 -0.262 0.000 1.138 565 S CA -1.218 56.884 58.200 -0.162 0.000 0.875 565 S CB 2.140 65.269 63.200 -0.118 0.000 1.151 565 S HN 0.071 nan 8.310 nan 0.000 0.500 566 M N 1.355 120.744 119.600 -0.352 0.000 2.578 566 M HA 0.691 5.171 4.480 -0.000 0.000 0.321 566 M C 0.034 176.042 176.300 -0.488 0.000 1.182 566 M CA -0.267 54.667 55.300 -0.610 0.000 0.965 566 M CB 1.506 33.192 32.600 -1.524 0.000 1.694 566 M HN 1.034 nan 8.290 nan 0.000 0.461 567 T N 0.794 115.159 114.554 -0.316 0.000 2.671 567 T HA 0.670 5.020 4.350 -0.000 0.000 0.300 567 T C -1.338 173.454 174.700 0.153 0.000 1.238 567 T CA -0.703 61.372 62.100 -0.041 0.000 1.020 567 T CB 1.898 70.746 68.868 -0.033 0.000 1.503 567 T HN 0.694 nan 8.240 nan 0.000 0.497 568 R N 0.905 121.510 120.500 0.175 0.000 2.711 568 R HA 0.697 5.037 4.340 -0.000 0.000 0.284 568 R C -0.520 175.852 176.300 0.119 0.000 0.968 568 R CA -0.910 55.307 56.100 0.194 0.000 0.924 568 R CB 1.840 32.212 30.300 0.120 0.000 1.162 568 R HN 0.412 nan 8.270 nan 0.000 0.465 569 R N 0.454 121.047 120.500 0.155 0.000 2.670 569 R HA 0.331 4.671 4.340 -0.000 0.000 0.289 569 R C -0.562 175.836 176.300 0.164 0.000 0.965 569 R CA -0.552 55.631 56.100 0.137 0.000 0.899 569 R CB 2.304 32.688 30.300 0.140 0.000 1.173 569 R HN 0.585 nan 8.270 nan 0.000 0.456 570 S N 1.124 116.892 115.700 0.113 0.000 2.558 570 S HA 0.015 4.485 4.470 -0.000 0.000 0.291 570 S C 0.041 174.742 174.600 0.169 0.000 1.306 570 S CA -0.311 57.946 58.200 0.095 0.000 1.056 570 S CB 0.670 63.906 63.200 0.060 0.000 0.836 570 S HN 0.241 nan 8.310 nan 0.000 0.504 571 V N 4.810 124.764 119.914 0.066 0.000 2.498 571 V HA 0.160 4.280 4.120 -0.000 0.000 0.279 571 V C 0.762 176.913 176.094 0.096 0.000 1.048 571 V CA -0.813 61.523 62.300 0.060 0.000 0.967 571 V CB 1.158 32.937 31.823 -0.072 0.000 0.988 571 V HN 0.818 nan 8.190 nan 0.000 0.473 572 N N 5.561 124.338 118.700 0.128 0.000 2.475 572 N HA 0.190 4.930 4.740 -0.000 0.000 0.267 572 N C -0.256 175.311 175.510 0.094 0.000 1.169 572 N CA 0.131 53.237 53.050 0.092 0.000 0.947 572 N CB 0.781 39.318 38.487 0.082 0.000 1.061 572 N HN 0.652 nan 8.380 nan 0.000 0.466 573 M N 2.930 122.576 119.600 0.077 0.000 3.114 573 M HA 0.183 4.663 4.480 -0.000 0.000 0.386 573 M C -0.833 175.504 176.300 0.063 0.000 1.417 573 M CA -0.056 55.294 55.300 0.083 0.000 0.785 573 M CB 0.422 33.069 32.600 0.078 0.000 1.413 573 M HN 0.392 nan 8.290 nan 0.000 0.498 574 E N 1.996 122.235 120.200 0.063 0.000 3.374 574 E HA 0.281 4.631 4.350 -0.000 0.000 0.223 574 E C -2.479 174.159 176.600 0.064 0.000 1.210 574 E CA -1.604 54.826 56.400 0.050 0.000 0.987 574 E CB 1.511 31.233 29.700 0.038 0.000 1.322 574 E HN 0.131 nan 8.360 nan 0.000 0.404 575 P HA 0.010 nan 4.420 nan 0.000 0.270 575 P C 0.414 177.767 177.300 0.087 0.000 1.223 575 P CA -0.291 62.872 63.100 0.105 0.000 0.785 575 P CB 1.073 32.848 31.700 0.124 0.000 0.923 576 K N 0.942 121.406 120.400 0.106 0.000 2.323 576 K HA 0.176 4.496 4.320 -0.000 0.000 0.197 576 K C 1.515 178.176 176.600 0.102 0.000 1.043 576 K CA 0.853 57.193 56.287 0.088 0.000 0.997 576 K CB -0.081 32.468 32.500 0.081 0.000 0.807 576 K HN 0.412 nan 8.250 nan 0.000 0.497 577 L N 0.679 121.997 121.223 0.158 0.000 2.590 577 L HA 0.171 4.511 4.340 -0.000 0.000 0.227 577 L C 0.647 177.621 176.870 0.173 0.000 1.099 577 L CA -0.147 54.811 54.840 0.198 0.000 0.872 577 L CB 0.198 42.451 42.059 0.322 0.000 1.088 577 L HN 0.079 nan 8.230 nan 0.000 0.479 578 R N -1.360 119.209 120.500 0.115 0.000 2.733 578 R HA 0.551 4.890 4.340 -0.000 0.000 0.272 578 R C -3.123 173.143 176.300 -0.057 0.000 1.029 578 R CA -1.566 54.540 56.100 0.010 0.000 0.888 578 R CB 0.312 30.594 30.300 -0.030 0.000 1.251 578 R HN -0.353 nan 8.270 nan 0.000 0.464 579 P HA 0.174 nan 4.420 nan 0.000 0.274 579 P C -0.551 176.590 177.300 -0.265 0.000 1.231 579 P CA -0.343 62.665 63.100 -0.155 0.000 0.790 579 P CB 0.761 32.368 31.700 -0.154 0.000 0.951 580 A N 1.989 124.717 122.820 -0.153 0.000 2.555 580 A HA 0.120 4.440 4.320 -0.000 0.000 0.233 580 A C -0.332 177.127 177.584 -0.209 0.000 1.060 580 A CA 0.285 52.253 52.037 -0.116 0.000 0.759 580 A CB -0.800 18.203 19.000 0.005 0.000 0.995 580 A HN 0.388 nan 8.150 nan 0.000 0.506 581 F N 3.218 123.245 119.950 0.128 0.000 2.421 581 F HA 0.346 4.873 4.527 -0.000 0.000 0.358 581 F C -1.487 174.393 175.800 0.132 0.000 1.115 581 F CA -2.001 56.094 58.000 0.159 0.000 1.160 581 F CB 0.899 40.045 39.000 0.244 0.000 1.123 581 F HN 0.361 nan 8.300 nan 0.000 0.508 582 P HA 0.158 nan 4.420 nan 0.000 0.275 582 P C -2.672 174.519 177.300 -0.182 0.000 1.227 582 P CA -1.525 61.593 63.100 0.030 0.000 0.781 582 P CB 0.200 31.901 31.700 0.000 0.000 0.906 583 P HA 0.049 nan 4.420 nan 0.000 0.262 583 P C -0.085 176.824 177.300 -0.651 0.000 1.182 583 P CA 0.645 63.166 63.100 -0.965 0.000 0.761 583 P CB 0.183 31.615 31.700 -0.446 0.000 0.795 584 K N 1.967 121.910 120.400 -0.762 0.000 2.499 584 K HA 0.534 4.854 4.320 -0.000 0.000 0.277 584 K C -0.630 175.906 176.600 -0.108 0.000 1.025 584 K CA -1.108 55.026 56.287 -0.254 0.000 0.900 584 K CB 1.089 33.526 32.500 -0.104 0.000 1.494 584 K HN 0.097 nan 8.250 nan 0.000 0.442 585 I N 1.439 121.993 120.570 -0.028 0.000 2.752 585 I HA 0.025 4.195 4.170 -0.000 0.000 0.287 585 I C 0.483 176.625 176.117 0.042 0.000 1.188 585 I CA 0.030 61.342 61.300 0.019 0.000 1.427 585 I CB 0.355 38.365 38.000 0.017 0.000 1.365 585 I HN 0.502 nan 8.210 nan 0.000 0.585 586 R N 5.240 125.771 120.500 0.051 0.000 2.272 586 R HA 0.387 4.727 4.340 -0.000 0.000 0.323 586 R C -0.874 175.374 176.300 -0.085 0.000 1.002 586 R CA -0.333 55.761 56.100 -0.009 0.000 0.900 586 R CB 0.860 31.192 30.300 0.053 0.000 1.151 586 R HN 0.828 nan 8.270 nan 0.000 0.507 587 T N 0.346 114.800 114.554 -0.166 0.000 2.906 587 T HA 0.454 4.804 4.350 -0.000 0.000 0.295 587 T C -0.813 173.725 174.700 -0.269 0.000 1.061 587 T CA -0.591 61.436 62.100 -0.121 0.000 1.000 587 T CB 1.288 70.156 68.868 0.000 0.000 1.103 587 T HN 0.336 nan 8.240 nan 0.000 0.486 588 Y N 0.000 120.336 120.300 0.061 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 0.050 0.000 1.940 588 Y CB 0.000 38.485 38.460 0.041 0.000 1.050 588 Y HN 0.000 nan 8.280 nan 0.000 0.758