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 2g48_1_B DATA FIRST_RESID 44 DATA SEQUENCE NPAIKRIGNH ITKSPEDKRE YRGLELANGI KVLLISDPTT DKSSAALDVH DATA SEQUENCE IGSLSDPPNI AGLSHFCQHM LFLGTKKYPK ENEYSQFLSE HAGSSNAFTS DATA SEQUENCE GEHTNYYFDV SHEHLEGALD RFAQFFLCPL FDESCKDREV NAVDSEHEKN DATA SEQUENCE VMNDAWRLFQ LEKATGNPKH PFSKFGTGNK YTLETRPNQE GIDVRQELLK DATA SEQUENCE FHSAYYSSNL MAVCVLGRES LDDLTNLVVK LFSEVENKNV PLPEFPEHPF DATA SEQUENCE QEEHLKQLYK IVPIKDIRNL YVTFPIPDLQ KYYKSNPGHY LGHLIGHEGP DATA SEQUENCE GSLLSELKSK GWVNTLVGGQ KEGARGFMFF IINVDLTEEG LLHVEDIILH DATA SEQUENCE MFQYIQKLRA EGPQEWVFQE CKDLNAVAFR FKDKERPRGY TSKIAGILHY DATA SEQUENCE YPLEEVLTAE YLLEEFRPDL IEMVLDKLRP ENVRVAIVSK SFEGKTDRTE DATA SEQUENCE EWYGTQYKQE AIPDEVIKKW QNADLNGKFK LPTKNEFIPT NFEILPLEKE DATA SEQUENCE ATPYPALIKD TAMSKLWFKQ DDKFFLPKAC LNFEFFSPFA YVDPLHCNMA DATA SEQUENCE YLYLELLKDS LNEYAYAAEL AGLSYDLQNT IYGMYLSVKG YNDKQPILLK DATA SEQUENCE KIIEKMATFE IDEKRFEIIK EAYMRSLNNF RAEQPHQHAM YYLRLLMTEV DATA SEQUENCE AWTKDELKEA LDDVTLPRLK AFIPQLLSRL HIEALLHGNI TKQAALGIMQ DATA SEQUENCE MVEDTLIEHA HTKPLLPSQL VRYREVQLPD RGWFVYQQRN EVHNNCGIEI DATA SEQUENCE YYQTDMQSTS ENMFLELFCQ IISEPCFNTL RTKEQLGYIV FSGPRRANGI DATA SEQUENCE QGLRFIIQSE KPPHYLESRV EAFLITMEKS IEDMTEEAFQ KHIQALAIRR DATA SEQUENCE LDKPKKLSAE CAKYWGEIIS QQYNFDRDNT EVAYLKTLTK EDIIKFYKEM DATA SEQUENCE LAVDAPRRHK VSVHVLAREM DSCPVVGEFX XXXXINLSQA PALPQPEVIQ DATA SEQUENCE NMTEFKRGLP LFPLVKPHIN F 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 44 N HA 0.000 nan 4.740 nan 0.000 0.220 44 N C 0.000 175.516 175.510 0.011 0.000 1.280 44 N CA 0.000 53.056 53.050 0.011 0.000 0.885 44 N CB 0.000 38.495 38.487 0.013 0.000 1.341 45 P HA 0.125 nan 4.420 nan 0.000 0.221 45 P C 1.459 178.767 177.300 0.013 0.000 1.150 45 P CA 1.636 64.742 63.100 0.010 0.000 0.800 45 P CB 0.362 32.067 31.700 0.009 0.000 0.787 46 A N -0.940 121.890 122.820 0.017 0.000 2.235 46 A HA 0.084 4.405 4.320 0.001 0.000 0.208 46 A C 0.921 178.518 177.584 0.022 0.000 1.172 46 A CA 0.373 52.424 52.037 0.022 0.000 0.786 46 A CB -0.849 18.168 19.000 0.029 0.000 0.804 46 A HN 0.166 nan 8.150 nan 0.000 0.479 47 I N -0.202 120.378 120.570 0.017 0.000 2.428 47 I HA 0.143 4.313 4.170 0.001 0.000 0.279 47 I C 1.093 177.216 176.117 0.009 0.000 1.040 47 I CA -0.381 60.927 61.300 0.014 0.000 1.171 47 I CB 1.485 39.493 38.000 0.013 0.000 1.312 47 I HN 0.185 nan 8.210 nan 0.000 0.470 48 K N 5.400 125.805 120.400 0.008 0.000 2.057 48 K HA -0.003 4.317 4.320 0.001 0.000 0.207 48 K C 0.914 177.517 176.600 0.005 0.000 1.049 48 K CA 1.346 57.636 56.287 0.006 0.000 0.931 48 K CB 0.436 32.938 32.500 0.003 0.000 0.714 48 K HN 0.539 nan 8.250 nan 0.000 0.440 49 R N -0.366 120.136 120.500 0.004 0.000 2.734 49 R HA 0.436 4.776 4.340 0.001 0.000 0.271 49 R C -1.956 174.346 176.300 0.003 0.000 1.021 49 R CA -0.678 55.425 56.100 0.005 0.000 0.893 49 R CB 1.489 31.793 30.300 0.006 0.000 1.244 49 R HN 0.171 nan 8.270 nan 0.000 0.464 50 I N 1.017 121.590 120.570 0.005 0.000 2.649 50 I HA 0.523 4.694 4.170 0.001 0.000 0.289 50 I C -1.454 174.665 176.117 0.003 0.000 1.222 50 I CA -0.452 60.849 61.300 0.001 0.000 1.046 50 I CB 2.229 40.227 38.000 -0.003 0.000 1.272 50 I HN 0.737 nan 8.210 nan 0.000 0.425 51 G N 5.043 113.844 108.800 0.001 0.000 2.502 51 G HA2 0.273 4.233 3.960 0.001 0.000 0.311 51 G HA3 0.273 4.233 3.960 0.001 0.000 0.311 51 G C -0.380 174.502 174.900 -0.030 0.000 1.270 51 G CA -0.480 44.625 45.100 0.007 0.000 0.948 51 G HN 0.674 nan 8.290 nan 0.000 0.487 52 N N 0.939 119.573 118.700 -0.111 0.000 2.320 52 N HA 0.076 4.817 4.740 0.001 0.000 0.237 52 N C -0.428 174.810 175.510 -0.454 0.000 1.129 52 N CA 0.018 52.924 53.050 -0.241 0.000 0.854 52 N CB 0.319 38.636 38.487 -0.284 0.000 1.083 52 N HN 0.520 nan 8.380 nan 0.000 0.504 53 H N 0.759 119.846 119.070 0.027 0.000 2.511 53 H HA 0.223 4.779 4.556 0.001 0.000 0.228 53 H C -0.185 175.149 175.328 0.010 0.000 1.424 53 H CA -0.439 55.621 56.048 0.021 0.000 1.321 53 H CB 0.566 30.336 29.762 0.014 0.000 1.720 53 H HN -0.013 nan 8.280 nan 0.000 0.512 54 I N 2.697 123.316 120.570 0.083 0.000 2.329 54 I HA 0.004 4.174 4.170 0.001 0.000 0.295 54 I C 0.861 176.968 176.117 -0.015 0.000 1.109 54 I CA -0.147 61.164 61.300 0.019 0.000 1.297 54 I CB -0.379 37.621 38.000 -0.001 0.000 1.433 54 I HN 0.123 nan 8.210 nan 0.000 0.509 55 T N 8.020 122.568 114.554 -0.011 0.000 2.778 55 T HA 0.053 4.404 4.350 0.001 0.000 0.282 55 T C 0.565 175.252 174.700 -0.022 0.000 0.983 55 T CA 0.187 62.279 62.100 -0.012 0.000 1.193 55 T CB -0.080 68.765 68.868 -0.038 0.000 0.938 55 T HN 0.671 nan 8.240 nan 0.000 0.523 56 K N 0.899 121.308 120.400 0.015 0.000 2.395 56 K HA 0.690 5.010 4.320 0.001 0.000 0.245 56 K C -0.188 176.451 176.600 0.065 0.000 1.017 56 K CA -1.023 55.275 56.287 0.019 0.000 0.852 56 K CB 1.535 33.948 32.500 -0.145 0.000 1.311 56 K HN 0.322 nan 8.250 nan 0.000 0.452 57 S N 0.907 116.495 115.700 -0.187 0.000 2.564 57 S HA 0.137 4.607 4.470 0.001 0.000 0.278 57 S C -1.294 173.189 174.600 -0.195 0.000 1.333 57 S CA -1.339 56.624 58.200 -0.395 0.000 1.048 57 S CB 0.443 63.109 63.200 -0.890 0.000 0.900 57 S HN 0.624 nan 8.310 nan 0.000 0.505 58 P HA -0.086 nan 4.420 nan 0.000 0.220 58 P C 0.751 178.000 177.300 -0.084 0.000 1.148 58 P CA 0.982 64.025 63.100 -0.094 0.000 0.803 58 P CB 0.117 31.760 31.700 -0.096 0.000 0.782 59 E N 0.006 120.124 120.200 -0.136 0.000 2.274 59 E HA -0.071 4.279 4.350 0.001 0.000 0.194 59 E C 0.536 177.112 176.600 -0.040 0.000 0.996 59 E CA 0.575 56.937 56.400 -0.064 0.000 0.840 59 E CB -0.676 28.984 29.700 -0.067 0.000 0.772 59 E HN 0.289 nan 8.360 nan 0.000 0.491 60 D N 1.047 121.401 120.400 -0.077 0.000 2.339 60 D HA 0.029 4.670 4.640 0.001 0.000 0.256 60 D C 0.285 176.615 176.300 0.049 0.000 1.214 60 D CA 0.006 53.998 54.000 -0.013 0.000 0.877 60 D CB 0.776 41.567 40.800 -0.015 0.000 1.111 60 D HN -0.276 nan 8.370 nan 0.000 0.478 61 K N 2.068 122.497 120.400 0.048 0.000 2.444 61 K HA 0.145 4.466 4.320 0.001 0.000 0.193 61 K C 0.600 177.222 176.600 0.037 0.000 1.024 61 K CA 0.006 56.319 56.287 0.043 0.000 1.077 61 K CB 0.279 32.797 32.500 0.029 0.000 0.833 61 K HN 0.255 nan 8.250 nan 0.000 0.517 62 R N 1.294 121.826 120.500 0.054 0.000 2.641 62 R HA 0.120 4.460 4.340 0.001 0.000 0.269 62 R C -0.147 176.108 176.300 -0.075 0.000 1.074 62 R CA -0.091 55.974 56.100 -0.058 0.000 1.133 62 R CB 0.512 30.726 30.300 -0.144 0.000 1.029 62 R HN 0.052 nan 8.270 nan 0.000 0.488 63 E N 2.123 122.193 120.200 -0.218 0.000 2.197 63 E HA 0.193 4.544 4.350 0.001 0.000 0.281 63 E C -1.023 175.386 176.600 -0.318 0.000 0.995 63 E CA -0.222 56.098 56.400 -0.133 0.000 0.808 63 E CB 1.288 30.935 29.700 -0.088 0.000 1.093 63 E HN 0.361 nan 8.360 nan 0.000 0.394 64 Y N 0.801 121.102 120.300 0.001 0.000 2.446 64 Y HA 0.478 5.028 4.550 0.001 0.000 0.345 64 Y C 0.401 176.286 175.900 -0.025 0.000 0.984 64 Y CA -0.907 57.189 58.100 -0.007 0.000 1.058 64 Y CB 2.175 40.639 38.460 0.006 0.000 1.220 64 Y HN 0.325 nan 8.280 nan 0.000 0.455 65 R N 1.220 121.787 120.500 0.113 0.000 2.510 65 R HA 0.661 5.002 4.340 0.001 0.000 0.287 65 R C -1.125 175.194 176.300 0.033 0.000 1.084 65 R CA -0.551 55.575 56.100 0.043 0.000 0.934 65 R CB 1.347 31.648 30.300 0.002 0.000 1.201 65 R HN 0.930 nan 8.270 nan 0.000 0.431 66 G N 3.682 112.495 108.800 0.022 0.000 2.389 66 G HA2 0.646 4.607 3.960 0.001 0.000 0.328 66 G HA3 0.646 4.607 3.960 0.001 0.000 0.328 66 G C -1.211 173.686 174.900 -0.005 0.000 1.133 66 G CA -0.609 44.495 45.100 0.007 0.000 0.891 66 G HN 0.493 nan 8.290 nan 0.000 0.485 67 L N -1.559 119.654 121.223 -0.015 0.000 2.622 67 L HA 0.764 5.104 4.340 0.001 0.000 0.258 67 L C -0.820 176.037 176.870 -0.022 0.000 0.996 67 L CA -1.257 53.575 54.840 -0.013 0.000 0.858 67 L CB 2.231 44.285 42.059 -0.009 0.000 1.449 67 L HN 0.571 nan 8.230 nan 0.000 0.411 68 E N 1.686 121.878 120.200 -0.014 0.000 2.182 68 E HA 0.595 4.946 4.350 0.001 0.000 0.258 68 E C -1.116 175.480 176.600 -0.006 0.000 0.879 68 E CA -0.668 55.722 56.400 -0.016 0.000 0.754 68 E CB 1.205 30.898 29.700 -0.012 0.000 1.162 68 E HN 0.749 nan 8.360 nan 0.000 0.419 69 L N 2.889 124.110 121.223 -0.004 0.000 2.476 69 L HA 0.162 4.502 4.340 0.001 0.000 0.264 69 L C 1.682 178.559 176.870 0.011 0.000 1.224 69 L CA 0.148 54.995 54.840 0.012 0.000 0.821 69 L CB 0.483 42.559 42.059 0.028 0.000 1.101 69 L HN 0.768 nan 8.230 nan 0.000 0.488 70 A N 1.462 124.292 122.820 0.017 0.000 1.978 70 A HA -0.195 4.126 4.320 0.001 0.000 0.220 70 A C 1.661 179.251 177.584 0.011 0.000 1.170 70 A CA 1.849 53.894 52.037 0.012 0.000 0.636 70 A CB -0.806 18.203 19.000 0.014 0.000 0.810 70 A HN 0.946 nan 8.150 nan 0.000 0.448 71 N N -1.132 117.579 118.700 0.018 0.000 2.521 71 N HA 0.224 4.964 4.740 0.001 0.000 0.188 71 N C 1.032 176.547 175.510 0.008 0.000 1.146 71 N CA 1.313 54.374 53.050 0.017 0.000 0.893 71 N CB -0.400 38.107 38.487 0.033 0.000 0.975 71 N HN 0.826 nan 8.380 nan 0.000 0.451 72 G N -0.355 108.447 108.800 0.003 0.000 2.176 72 G HA2 -0.238 3.722 3.960 0.001 0.000 0.232 72 G HA3 -0.238 3.722 3.960 0.001 0.000 0.232 72 G C -0.172 174.722 174.900 -0.012 0.000 0.986 72 G CA -0.028 45.069 45.100 -0.005 0.000 0.643 72 G HN 0.366 nan 8.290 nan 0.000 0.522 73 I N 1.412 121.974 120.570 -0.014 0.000 2.517 73 I HA 0.198 4.369 4.170 0.001 0.000 0.285 73 I C 0.567 176.645 176.117 -0.066 0.000 1.106 73 I CA 0.000 61.275 61.300 -0.042 0.000 1.402 73 I CB 0.723 38.698 38.000 -0.042 0.000 1.399 73 I HN -0.019 nan 8.210 nan 0.000 0.535 74 K N 5.374 125.716 120.400 -0.097 0.000 2.297 74 K HA 0.454 4.775 4.320 0.001 0.000 0.286 74 K C -0.823 175.695 176.600 -0.136 0.000 1.053 74 K CA -0.206 56.017 56.287 -0.108 0.000 0.940 74 K CB 1.233 33.653 32.500 -0.133 0.000 1.019 74 K HN 0.311 nan 8.250 nan 0.000 0.475 75 V N 3.922 123.773 119.914 -0.104 0.000 2.769 75 V HA 0.416 4.537 4.120 0.001 0.000 0.312 75 V C -1.048 174.998 176.094 -0.081 0.000 1.061 75 V CA -1.032 61.199 62.300 -0.114 0.000 0.931 75 V CB 1.955 33.718 31.823 -0.100 0.000 1.010 75 V HN 0.549 nan 8.190 nan 0.000 0.433 76 L N 5.493 126.664 121.223 -0.087 0.000 2.406 76 L HA 0.600 4.941 4.340 0.001 0.000 0.270 76 L C -1.176 175.665 176.870 -0.047 0.000 0.982 76 L CA -0.217 54.596 54.840 -0.045 0.000 0.843 76 L CB 1.448 43.479 42.059 -0.047 0.000 1.225 76 L HN 0.598 nan 8.230 nan 0.000 0.412 77 L N 5.828 127.036 121.223 -0.025 0.000 2.307 77 L HA 0.571 4.912 4.340 0.001 0.000 0.282 77 L C -0.336 176.483 176.870 -0.085 0.000 1.051 77 L CA -0.505 54.305 54.840 -0.050 0.000 0.804 77 L CB 1.946 43.983 42.059 -0.037 0.000 1.197 77 L HN 0.481 nan 8.230 nan 0.000 0.431 78 I N 1.776 122.260 120.570 -0.143 0.000 2.478 78 I HA 0.247 4.417 4.170 0.001 0.000 0.287 78 I C -0.335 175.653 176.117 -0.215 0.000 1.042 78 I CA -0.242 60.881 61.300 -0.294 0.000 1.067 78 I CB 2.066 39.897 38.000 -0.282 0.000 1.233 78 I HN 0.486 nan 8.210 nan 0.000 0.431 79 S N 4.607 120.165 115.700 -0.236 0.000 2.433 79 S HA 0.364 4.834 4.470 0.001 0.000 0.310 79 S C -0.921 173.590 174.600 -0.148 0.000 1.097 79 S CA -0.402 57.711 58.200 -0.145 0.000 1.103 79 S CB 0.741 63.879 63.200 -0.103 0.000 0.992 79 S HN 0.624 nan 8.310 nan 0.000 0.469 80 D N 5.313 125.649 120.400 -0.108 0.000 2.346 80 D HA 0.383 5.024 4.640 0.001 0.000 0.255 80 D C -2.157 174.090 176.300 -0.089 0.000 1.276 80 D CA -1.964 51.980 54.000 -0.093 0.000 0.941 80 D CB 1.864 42.615 40.800 -0.081 0.000 1.199 80 D HN 0.200 nan 8.370 nan 0.000 0.537 81 P HA -0.105 nan 4.420 nan 0.000 0.223 81 P C 1.271 178.495 177.300 -0.127 0.000 1.144 81 P CA 1.330 64.373 63.100 -0.094 0.000 0.783 81 P CB 0.332 31.993 31.700 -0.066 0.000 0.771 82 T N -6.642 107.849 114.554 -0.105 0.000 3.044 82 T HA 0.036 4.387 4.350 0.001 0.000 0.255 82 T C 1.050 175.676 174.700 -0.124 0.000 1.073 82 T CA 0.162 62.198 62.100 -0.106 0.000 1.125 82 T CB -1.286 67.546 68.868 -0.060 0.000 0.908 82 T HN -0.048 nan 8.240 nan 0.000 0.480 83 T N 2.133 116.624 114.554 -0.105 0.000 2.867 83 T HA -0.036 4.315 4.350 0.001 0.000 0.290 83 T C 0.598 175.249 174.700 -0.081 0.000 1.025 83 T CA 0.248 62.307 62.100 -0.069 0.000 1.146 83 T CB -0.074 68.771 68.868 -0.039 0.000 1.024 83 T HN 0.230 nan 8.240 nan 0.000 0.519 84 D N 3.750 124.159 120.400 0.016 0.000 2.271 84 D HA 0.116 4.756 4.640 0.001 0.000 0.206 84 D C 0.476 176.908 176.300 0.220 0.000 0.967 84 D CA 1.005 55.085 54.000 0.133 0.000 0.867 84 D CB 0.367 41.230 40.800 0.104 0.000 0.960 84 D HN 0.530 nan 8.370 nan 0.000 0.509 85 K N 0.189 120.669 120.400 0.133 0.000 2.324 85 K HA 0.441 4.762 4.320 0.001 0.000 0.253 85 K C -0.561 176.103 176.600 0.106 0.000 0.932 85 K CA -0.440 55.925 56.287 0.131 0.000 0.799 85 K CB 2.654 35.209 32.500 0.093 0.000 1.154 85 K HN -0.217 nan 8.250 nan 0.000 0.425 86 S N 0.420 116.194 115.700 0.123 0.000 2.713 86 S HA 0.537 5.008 4.470 0.001 0.000 0.283 86 S C -0.727 173.861 174.600 -0.020 0.000 1.161 86 S CA -0.619 57.624 58.200 0.071 0.000 0.999 86 S CB 1.594 64.865 63.200 0.118 0.000 1.039 86 S HN 0.530 nan 8.310 nan 0.000 0.548 87 S N -0.364 115.248 115.700 -0.147 0.000 2.547 87 S HA 0.751 5.221 4.470 0.001 0.000 0.270 87 S C -1.777 172.497 174.600 -0.543 0.000 1.150 87 S CA -0.373 57.578 58.200 -0.414 0.000 0.850 87 S CB 1.260 64.325 63.200 -0.225 0.000 1.118 87 S HN 1.073 nan 8.310 nan 0.000 0.461 88 A N 1.583 123.801 122.820 -1.002 0.000 2.572 88 A HA 1.002 5.323 4.320 0.001 0.000 0.295 88 A C -0.828 176.417 177.584 -0.565 0.000 1.072 88 A CA -0.174 51.458 52.037 -0.674 0.000 0.691 88 A CB 1.408 20.097 19.000 -0.519 0.000 1.291 88 A HN 1.830 nan 8.150 nan 0.000 0.404 89 A N 0.604 123.293 122.820 -0.218 0.000 2.574 89 A HA 0.779 5.099 4.320 0.001 0.000 0.297 89 A C -1.667 176.004 177.584 0.145 0.000 1.062 89 A CA -0.317 51.761 52.037 0.068 0.000 0.686 89 A CB 1.294 20.363 19.000 0.114 0.000 1.285 89 A HN 1.875 nan 8.150 nan 0.000 0.403 90 L N 1.711 123.155 121.223 0.368 0.000 2.409 90 L HA 0.610 4.950 4.340 0.001 0.000 0.272 90 L C -1.552 175.425 176.870 0.178 0.000 0.980 90 L CA -0.430 54.485 54.840 0.124 0.000 0.826 90 L CB 1.721 43.719 42.059 -0.102 0.000 1.268 90 L HN 0.801 nan 8.230 nan 0.000 0.407 91 D N 4.460 124.913 120.400 0.089 0.000 2.408 91 D HA 0.310 4.950 4.640 0.001 0.000 0.243 91 D C -1.213 175.216 176.300 0.216 0.000 1.075 91 D CA -0.277 53.832 54.000 0.182 0.000 0.832 91 D CB 2.357 43.278 40.800 0.201 0.000 1.162 91 D HN 0.268 nan 8.370 nan 0.000 0.515 92 V N 4.475 124.452 119.914 0.106 0.000 2.383 92 V HA 0.094 4.215 4.120 0.001 0.000 0.275 92 V C 0.905 176.971 176.094 -0.046 0.000 1.036 92 V CA -0.561 61.705 62.300 -0.058 0.000 0.889 92 V CB 1.037 32.640 31.823 -0.368 0.000 0.985 92 V HN 0.598 nan 8.190 nan 0.000 0.459 93 H N 4.334 123.211 119.070 -0.322 0.000 3.332 93 H HA 0.375 4.932 4.556 0.001 0.000 0.235 93 H C -0.514 174.578 175.328 -0.394 0.000 1.633 93 H CA -0.210 55.492 56.048 -0.576 0.000 1.288 93 H CB -0.121 29.122 29.762 -0.866 0.000 1.547 93 H HN 0.469 nan 8.280 nan 0.000 0.622 94 I N 0.474 120.992 120.570 -0.086 0.000 2.656 94 I HA 0.465 4.635 4.170 0.001 0.000 0.292 94 I C 0.050 176.216 176.117 0.082 0.000 1.144 94 I CA -0.255 61.020 61.300 -0.041 0.000 1.038 94 I CB 2.148 40.092 38.000 -0.094 0.000 1.244 94 I HN 0.347 nan 8.210 nan 0.000 0.420 95 G N 1.963 110.834 108.800 0.119 0.000 2.911 95 G HA2 0.398 4.359 3.960 0.001 0.000 0.299 95 G HA3 0.398 4.359 3.960 0.001 0.000 0.299 95 G C 0.416 175.415 174.900 0.166 0.000 1.283 95 G CA 0.227 45.436 45.100 0.182 0.000 0.805 95 G HN 0.630 nan 8.290 nan 0.000 0.548 96 S N -0.766 115.010 115.700 0.127 0.000 2.440 96 S HA -0.110 4.361 4.470 0.001 0.000 0.238 96 S C 2.132 176.772 174.600 0.067 0.000 1.010 96 S CA 1.204 59.441 58.200 0.061 0.000 0.972 96 S CB -0.213 63.001 63.200 0.023 0.000 0.774 96 S HN 0.307 nan 8.310 nan 0.000 0.501 97 L N 1.642 122.923 121.223 0.097 0.000 2.549 97 L HA 0.183 4.523 4.340 0.001 0.000 0.230 97 L C 1.510 178.480 176.870 0.167 0.000 1.162 97 L CA 0.922 55.822 54.840 0.099 0.000 0.834 97 L CB -0.653 41.438 42.059 0.052 0.000 0.947 97 L HN 0.310 nan 8.230 nan 0.000 0.452 98 S N -1.687 114.091 115.700 0.129 0.000 2.650 98 S HA 0.176 4.646 4.470 0.001 0.000 0.240 98 S C 0.039 174.731 174.600 0.153 0.000 1.007 98 S CA -0.619 57.634 58.200 0.088 0.000 0.984 98 S CB 0.043 63.138 63.200 -0.176 0.000 0.910 98 S HN 0.257 nan 8.310 nan 0.000 0.509 99 D N 4.212 124.680 120.400 0.113 0.000 2.372 99 D HA 0.198 4.838 4.640 0.001 0.000 0.243 99 D C -2.282 174.086 176.300 0.114 0.000 1.121 99 D CA -1.359 52.680 54.000 0.065 0.000 0.898 99 D CB 0.469 41.248 40.800 -0.036 0.000 1.202 99 D HN 0.122 nan 8.370 nan 0.000 0.428 100 P HA 0.085 nan 4.420 nan 0.000 0.271 100 P C -2.088 175.267 177.300 0.093 0.000 1.216 100 P CA -1.201 61.977 63.100 0.130 0.000 0.771 100 P CB 0.554 32.332 31.700 0.130 0.000 0.864 101 P HA -0.215 nan 4.420 nan 0.000 0.218 101 P C 0.961 178.323 177.300 0.103 0.000 1.152 101 P CA 1.921 65.085 63.100 0.107 0.000 0.857 101 P CB -0.418 31.346 31.700 0.107 0.000 0.787 102 N N -1.360 117.390 118.700 0.083 0.000 2.336 102 N HA 0.101 4.842 4.740 0.001 0.000 0.189 102 N C 0.185 175.718 175.510 0.038 0.000 1.113 102 N CA 0.027 53.118 53.050 0.069 0.000 0.858 102 N CB -0.102 38.417 38.487 0.054 0.000 0.970 102 N HN 0.125 nan 8.380 nan 0.000 0.471 103 I N 0.994 121.580 120.570 0.027 0.000 2.926 103 I HA 0.286 4.457 4.170 0.001 0.000 0.295 103 I C -0.331 175.752 176.117 -0.056 0.000 1.463 103 I CA -0.896 60.394 61.300 -0.017 0.000 0.892 103 I CB 1.007 38.999 38.000 -0.013 0.000 1.874 103 I HN 0.045 nan 8.210 nan 0.000 0.620 104 A N 2.254 125.035 122.820 -0.065 0.000 2.548 104 A HA 0.468 4.789 4.320 0.001 0.000 0.247 104 A C 1.410 178.824 177.584 -0.285 0.000 1.067 104 A CA 1.076 53.013 52.037 -0.167 0.000 0.757 104 A CB -0.139 18.752 19.000 -0.182 0.000 0.996 104 A HN 1.184 nan 8.150 nan 0.000 0.504 105 G N 1.194 109.815 108.800 -0.299 0.000 2.157 105 G HA2 -0.199 3.761 3.960 0.001 0.000 0.239 105 G HA3 -0.199 3.761 3.960 0.001 0.000 0.239 105 G C 0.719 175.536 174.900 -0.139 0.000 0.982 105 G CA 0.544 45.484 45.100 -0.267 0.000 0.650 105 G HN 1.356 nan 8.290 nan 0.000 0.527 106 L N 1.607 122.726 121.223 -0.173 0.000 2.042 106 L HA 0.080 4.420 4.340 0.001 0.000 0.210 106 L C 2.781 179.440 176.870 -0.352 0.000 1.076 106 L CA 3.227 57.942 54.840 -0.208 0.000 0.749 106 L CB -0.794 41.083 42.059 -0.304 0.000 0.893 106 L HN 0.458 nan 8.230 nan 0.000 0.432 107 S N -1.733 113.686 115.700 -0.468 0.000 2.368 107 S HA -0.293 4.177 4.470 0.001 0.000 0.225 107 S C 2.219 176.881 174.600 0.103 0.000 1.030 107 S CA 1.501 59.494 58.200 -0.344 0.000 0.999 107 S CB -0.568 62.573 63.200 -0.099 0.000 0.844 107 S HN 0.778 nan 8.310 nan 0.000 0.459 108 H N -1.427 117.656 119.070 0.021 0.000 2.357 108 H HA -0.084 4.473 4.556 0.001 0.000 0.301 108 H C 2.054 177.562 175.328 0.300 0.000 1.082 108 H CA 1.478 57.612 56.048 0.144 0.000 1.342 108 H CB -0.275 29.510 29.762 0.038 0.000 1.389 108 H HN 0.510 nan 8.280 nan 0.000 0.511 109 F N 1.371 121.263 119.950 -0.097 0.000 2.171 109 F HA -0.195 4.333 4.527 0.001 0.000 0.300 109 F C 2.770 178.612 175.800 0.071 0.000 1.090 109 F CA 0.979 58.893 58.000 -0.143 0.000 1.293 109 F CB -1.359 37.543 39.000 -0.163 0.000 1.013 109 F HN 0.322 nan 8.300 nan 0.000 0.486 110 C N 0.693 120.085 119.300 0.153 0.000 2.413 110 C HA -0.230 4.230 4.460 0.001 0.000 0.276 110 C C 2.918 178.080 174.990 0.287 0.000 1.236 110 C CA 1.783 60.928 59.018 0.211 0.000 1.735 110 C CB -1.425 26.482 27.740 0.279 0.000 2.031 110 C HN 0.656 nan 8.230 nan 0.000 0.474 111 Q N -0.845 119.199 119.800 0.406 0.000 2.112 111 Q HA -0.256 4.085 4.340 0.001 0.000 0.206 111 Q C 2.100 178.364 176.000 0.440 0.000 0.987 111 Q CA 1.933 58.037 55.803 0.501 0.000 0.858 111 Q CB -0.559 28.406 28.738 0.379 0.000 0.905 111 Q HN 0.803 nan 8.270 nan 0.000 0.420 112 H N -0.666 118.530 119.070 0.209 0.000 2.321 112 H HA -0.090 4.466 4.556 0.001 0.000 0.300 112 H C 2.162 177.547 175.328 0.094 0.000 1.087 112 H CA 1.504 57.643 56.048 0.150 0.000 1.319 112 H CB 0.142 29.977 29.762 0.123 0.000 1.379 112 H HN 0.339 nan 8.280 nan 0.000 0.501 113 M N 0.600 120.225 119.600 0.043 0.000 2.279 113 M HA -0.114 4.366 4.480 0.001 0.000 0.264 113 M C 2.398 178.416 176.300 -0.470 0.000 1.062 113 M CA 0.807 55.963 55.300 -0.240 0.000 1.099 113 M CB -0.898 31.489 32.600 -0.355 0.000 1.394 113 M HN 0.245 nan 8.290 nan 0.000 0.426 114 L N -1.331 119.627 121.223 -0.442 0.000 2.353 114 L HA -0.172 4.168 4.340 0.001 0.000 0.220 114 L C 1.574 177.533 176.870 -1.518 0.000 1.133 114 L CA 0.958 55.224 54.840 -0.957 0.000 0.798 114 L CB -0.712 40.857 42.059 -0.817 0.000 0.922 114 L HN 0.174 nan 8.230 nan 0.000 0.445 115 F N -1.206 118.240 119.950 -0.840 0.000 2.765 115 F HA 0.053 4.581 4.527 0.001 0.000 0.302 115 F C 1.386 176.959 175.800 -0.378 0.000 1.111 115 F CA 0.057 57.654 58.000 -0.672 0.000 1.359 115 F CB -0.010 38.909 39.000 -0.136 0.000 1.097 115 F HN -0.056 nan 8.300 nan 0.000 0.577 116 L N 0.115 121.196 121.223 -0.237 0.000 2.653 116 L HA 0.456 4.797 4.340 0.001 0.000 0.232 116 L C 0.740 177.500 176.870 -0.182 0.000 1.169 116 L CA -0.369 54.387 54.840 -0.140 0.000 0.951 116 L CB -0.763 41.227 42.059 -0.115 0.000 1.181 116 L HN 0.133 nan 8.230 nan 0.000 0.460 117 G N -1.156 107.488 108.800 -0.260 0.000 2.627 117 G HA2 0.236 4.197 3.960 0.001 0.000 0.680 117 G HA3 0.236 4.197 3.960 0.001 0.000 0.680 117 G C -0.446 174.301 174.900 -0.256 0.000 1.341 117 G CA -0.455 44.537 45.100 -0.179 0.000 0.835 117 G HN 0.200 nan 8.290 nan 0.000 0.643 118 T N -1.093 113.382 114.554 -0.131 0.000 2.838 118 T HA 0.726 5.076 4.350 0.001 0.000 0.292 118 T C 1.134 175.786 174.700 -0.080 0.000 1.113 118 T CA -0.318 61.701 62.100 -0.134 0.000 1.008 118 T CB 2.042 70.866 68.868 -0.073 0.000 1.259 118 T HN 0.498 nan 8.240 nan 0.000 0.520 119 K N 0.457 120.803 120.400 -0.090 0.000 2.032 119 K HA -0.004 4.317 4.320 0.001 0.000 0.209 119 K C 2.185 178.709 176.600 -0.126 0.000 1.048 119 K CA 1.593 57.826 56.287 -0.091 0.000 0.927 119 K CB -0.228 32.223 32.500 -0.082 0.000 0.712 119 K HN 0.663 nan 8.250 nan 0.000 0.441 120 K N -0.846 119.461 120.400 -0.155 0.000 2.148 120 K HA -0.079 4.241 4.320 0.001 0.000 0.204 120 K C -0.328 175.897 176.600 -0.624 0.000 1.050 120 K CA 1.071 57.137 56.287 -0.368 0.000 0.942 120 K CB 0.241 32.528 32.500 -0.354 0.000 0.724 120 K HN 0.115 nan 8.250 nan 0.000 0.446 121 Y N -0.453 119.813 120.300 -0.057 0.000 2.705 121 Y HA 0.261 4.811 4.550 0.001 0.000 0.355 121 Y C -2.193 173.682 175.900 -0.041 0.000 1.039 121 Y CA -2.282 55.796 58.100 -0.036 0.000 1.233 121 Y CB 1.672 40.121 38.460 -0.018 0.000 1.103 121 Y HN 0.060 nan 8.280 nan 0.000 0.624 122 P HA -0.189 nan 4.420 nan 0.000 0.216 122 P C 0.279 177.596 177.300 0.028 0.000 1.150 122 P CA 1.136 64.240 63.100 0.006 0.000 0.837 122 P CB 0.328 32.020 31.700 -0.014 0.000 0.786 123 K N 1.139 121.579 120.400 0.067 0.000 2.437 123 K HA -0.115 4.205 4.320 0.001 0.000 0.277 123 K C 1.399 178.042 176.600 0.073 0.000 1.073 123 K CA 0.486 56.816 56.287 0.073 0.000 1.105 123 K CB 0.180 32.741 32.500 0.101 0.000 0.881 123 K HN 0.334 nan 8.250 nan 0.000 0.475 124 E N 2.425 122.655 120.200 0.050 0.000 2.331 124 E HA -0.243 4.107 4.350 0.001 0.000 0.199 124 E C 0.517 177.178 176.600 0.103 0.000 1.008 124 E CA 1.765 58.192 56.400 0.045 0.000 0.843 124 E CB -0.228 29.489 29.700 0.029 0.000 0.761 124 E HN 0.734 nan 8.360 nan 0.000 0.507 125 N N -0.142 118.634 118.700 0.127 0.000 2.197 125 N HA 0.006 4.746 4.740 0.001 0.000 0.228 125 N C 1.277 176.896 175.510 0.182 0.000 1.212 125 N CA -0.011 53.142 53.050 0.172 0.000 0.883 125 N CB 0.437 39.015 38.487 0.152 0.000 1.107 125 N HN -0.069 nan 8.380 nan 0.000 0.519 126 E N 1.197 121.499 120.200 0.171 0.000 2.130 126 E HA -0.291 4.060 4.350 0.001 0.000 0.196 126 E C 1.297 178.004 176.600 0.177 0.000 0.998 126 E CA 1.495 57.995 56.400 0.167 0.000 0.806 126 E CB -0.353 29.454 29.700 0.178 0.000 0.738 126 E HN 0.673 nan 8.360 nan 0.000 0.459 127 Y N 0.494 120.845 120.300 0.086 0.000 2.153 127 Y HA -0.143 4.407 4.550 0.001 0.000 0.289 127 Y C 2.540 178.538 175.900 0.164 0.000 1.127 127 Y CA 2.335 60.488 58.100 0.088 0.000 1.131 127 Y CB -0.567 38.024 38.460 0.218 0.000 0.995 127 Y HN 0.203 nan 8.280 nan 0.000 0.505 128 S N -0.198 115.623 115.700 0.201 0.000 2.402 128 S HA -0.255 4.216 4.470 0.001 0.000 0.229 128 S C 2.002 176.612 174.600 0.017 0.000 1.021 128 S CA 1.257 59.492 58.200 0.058 0.000 0.974 128 S CB -0.660 62.646 63.200 0.177 0.000 0.800 128 S HN 0.740 nan 8.310 nan 0.000 0.484 129 Q N -0.046 119.801 119.800 0.078 0.000 2.079 129 Q HA -0.088 4.252 4.340 0.001 0.000 0.200 129 Q C 1.912 177.923 176.000 0.018 0.000 0.974 129 Q CA 1.290 57.127 55.803 0.057 0.000 0.840 129 Q CB -0.315 28.476 28.738 0.088 0.000 0.898 129 Q HN 0.632 nan 8.270 nan 0.000 0.430 130 F N 0.944 120.844 119.950 -0.083 0.000 2.102 130 F HA -0.200 4.327 4.527 0.001 0.000 0.298 130 F C 1.692 177.457 175.800 -0.059 0.000 1.105 130 F CA 1.439 59.399 58.000 -0.066 0.000 1.239 130 F CB -0.120 38.798 39.000 -0.136 0.000 0.991 130 F HN 0.058 nan 8.300 nan 0.000 0.474 131 L N -0.755 120.447 121.223 -0.036 0.000 2.083 131 L HA -0.215 4.125 4.340 0.001 0.000 0.209 131 L C 2.742 179.530 176.870 -0.136 0.000 1.083 131 L CA 1.470 56.246 54.840 -0.107 0.000 0.752 131 L CB -1.022 40.937 42.059 -0.166 0.000 0.899 131 L HN 0.225 nan 8.230 nan 0.000 0.433 132 S N -0.095 115.532 115.700 -0.122 0.000 2.382 132 S HA -0.177 4.293 4.470 0.001 0.000 0.228 132 S C 1.652 176.153 174.600 -0.165 0.000 1.027 132 S CA 1.252 59.394 58.200 -0.097 0.000 0.991 132 S CB -0.133 63.044 63.200 -0.038 0.000 0.823 132 S HN 0.488 nan 8.310 nan 0.000 0.469 133 E N -0.604 119.389 120.200 -0.345 0.000 2.502 133 E HA 0.034 4.385 4.350 0.001 0.000 0.194 133 E C 0.039 176.046 176.600 -0.990 0.000 1.062 133 E CA 0.280 56.295 56.400 -0.642 0.000 0.867 133 E CB 0.103 29.334 29.700 -0.781 0.000 0.888 133 E HN 0.607 nan 8.360 nan 0.000 0.510 134 H N -0.383 118.419 119.070 -0.446 0.000 2.637 134 H HA 0.342 4.899 4.556 0.001 0.000 0.245 134 H C 0.183 175.388 175.328 -0.205 0.000 1.190 134 H CA 0.227 56.007 56.048 -0.445 0.000 0.934 134 H CB 0.939 30.243 29.762 -0.763 0.000 1.950 134 H HN 0.112 nan 8.280 nan 0.000 0.614 135 A N 0.614 123.379 122.820 -0.091 0.000 2.822 135 A HA -0.128 4.193 4.320 0.001 0.000 0.287 135 A C 1.047 178.645 177.584 0.024 0.000 1.479 135 A CA 0.944 52.968 52.037 -0.022 0.000 0.779 135 A CB -1.750 17.252 19.000 0.003 0.000 1.022 135 A HN 0.608 nan 8.150 nan 0.000 0.532 136 G N -1.493 107.315 108.800 0.015 0.000 2.644 136 G HA2 0.950 4.910 3.960 0.001 0.000 0.307 136 G HA3 0.950 4.910 3.960 0.001 0.000 0.307 136 G C -0.243 174.693 174.900 0.059 0.000 1.250 136 G CA 0.295 45.439 45.100 0.072 0.000 0.996 136 G HN 2.029 nan 8.290 nan 0.000 0.489 137 S N -1.851 113.921 115.700 0.120 0.000 2.570 137 S HA 0.810 5.280 4.470 0.001 0.000 0.270 137 S C -0.945 173.777 174.600 0.203 0.000 1.149 137 S CA -0.464 57.801 58.200 0.108 0.000 0.837 137 S CB 1.831 65.093 63.200 0.103 0.000 1.124 137 S HN 1.351 nan 8.310 nan 0.000 0.465 138 S N 1.038 116.846 115.700 0.181 0.000 2.550 138 S HA 0.793 5.264 4.470 0.001 0.000 0.270 138 S C -1.628 173.042 174.600 0.116 0.000 1.145 138 S CA -0.525 57.846 58.200 0.285 0.000 0.852 138 S CB 1.588 65.100 63.200 0.521 0.000 1.119 138 S HN 0.907 nan 8.310 nan 0.000 0.465 139 N N 0.358 119.000 118.700 -0.097 0.000 3.106 139 N HA 0.843 5.583 4.740 0.001 0.000 0.253 139 N C -1.957 173.205 175.510 -0.580 0.000 1.506 139 N CA 0.109 52.990 53.050 -0.282 0.000 0.876 139 N CB 1.777 40.222 38.487 -0.069 0.000 1.452 139 N HN 1.090 nan 8.380 nan 0.000 0.542 140 A N 0.169 122.829 122.820 -0.267 0.000 2.599 140 A HA 0.611 4.931 4.320 0.001 0.000 0.294 140 A C -1.933 175.745 177.584 0.157 0.000 1.055 140 A CA -0.673 51.290 52.037 -0.122 0.000 0.683 140 A CB 0.389 19.361 19.000 -0.048 0.000 1.278 140 A HN 0.602 nan 8.150 nan 0.000 0.412 141 F N -0.815 119.203 119.950 0.113 0.000 2.613 141 F HA 0.918 5.445 4.527 0.001 0.000 0.314 141 F C -0.412 175.460 175.800 0.119 0.000 1.075 141 F CA -0.721 57.362 58.000 0.138 0.000 0.945 141 F CB 1.857 40.966 39.000 0.182 0.000 1.310 141 F HN 0.399 nan 8.300 nan 0.000 0.467 142 T N 1.729 116.491 114.554 0.347 0.000 2.812 142 T HA 0.614 4.964 4.350 0.001 0.000 0.282 142 T C -0.518 174.370 174.700 0.313 0.000 0.990 142 T CA -0.616 61.637 62.100 0.254 0.000 0.960 142 T CB 1.442 70.442 68.868 0.219 0.000 0.948 142 T HN 0.927 nan 8.240 nan 0.000 0.438 143 S N 1.677 117.579 115.700 0.336 0.000 2.837 143 S HA 0.738 5.208 4.470 0.001 0.000 0.314 143 S C 1.658 176.398 174.600 0.234 0.000 1.098 143 S CA -0.276 58.103 58.200 0.298 0.000 0.903 143 S CB 0.789 64.216 63.200 0.379 0.000 1.310 143 S HN 0.679 nan 8.310 nan 0.000 0.581 144 G N -0.315 108.619 108.800 0.223 0.000 2.408 144 G HA2 0.024 3.985 3.960 0.001 0.000 0.217 144 G HA3 0.024 3.985 3.960 0.001 0.000 0.217 144 G C 0.774 175.774 174.900 0.167 0.000 1.150 144 G CA 0.459 45.665 45.100 0.177 0.000 0.776 144 G HN 0.773 nan 8.290 nan 0.000 0.542 145 E N -0.704 119.607 120.200 0.186 0.000 2.630 145 E HA 0.176 4.527 4.350 0.001 0.000 0.218 145 E C -0.506 175.959 176.600 -0.224 0.000 0.977 145 E CA -0.218 56.226 56.400 0.073 0.000 1.038 145 E CB 0.633 30.413 29.700 0.134 0.000 1.051 145 E HN 0.403 nan 8.360 nan 0.000 0.487 146 H N -0.414 118.751 119.070 0.157 0.000 2.996 146 H HA 0.319 4.876 4.556 0.001 0.000 0.368 146 H C -0.836 174.531 175.328 0.066 0.000 1.185 146 H CA -0.489 55.609 56.048 0.083 0.000 1.160 146 H CB 2.382 32.188 29.762 0.073 0.000 1.820 146 H HN -0.153 nan 8.280 nan 0.000 0.547 147 T N 2.548 117.188 114.554 0.143 0.000 2.930 147 T HA 0.151 4.501 4.350 0.001 0.000 0.313 147 T C -0.115 174.566 174.700 -0.031 0.000 1.019 147 T CA -0.798 61.335 62.100 0.055 0.000 1.004 147 T CB 0.751 69.795 68.868 0.294 0.000 0.987 147 T HN 0.405 nan 8.240 nan 0.000 0.456 148 N N 2.901 121.335 118.700 -0.443 0.000 2.417 148 N HA 0.350 5.091 4.740 0.001 0.000 0.274 148 N C -1.595 173.841 175.510 -0.123 0.000 0.987 148 N CA -0.351 52.524 53.050 -0.291 0.000 0.912 148 N CB 1.015 39.043 38.487 -0.765 0.000 1.177 148 N HN 0.437 nan 8.380 nan 0.000 0.490 149 Y N 3.160 123.669 120.300 0.349 0.000 2.364 149 Y HA 0.414 4.964 4.550 0.001 0.000 0.340 149 Y C -0.341 175.944 175.900 0.642 0.000 0.975 149 Y CA -0.797 57.607 58.100 0.508 0.000 1.089 149 Y CB 1.106 39.955 38.460 0.649 0.000 1.192 149 Y HN 0.360 nan 8.280 nan 0.000 0.454 150 Y N 1.274 121.948 120.300 0.624 0.000 2.597 150 Y HA 0.837 5.388 4.550 0.001 0.000 0.340 150 Y C -1.463 174.662 175.900 0.374 0.000 1.097 150 Y CA -2.437 55.858 58.100 0.326 0.000 1.037 150 Y CB 1.705 40.281 38.460 0.194 0.000 1.305 150 Y HN 0.477 nan 8.280 nan 0.000 0.463 151 F N -0.251 119.838 119.950 0.232 0.000 2.741 151 F HA 0.828 5.355 4.527 0.001 0.000 0.313 151 F C -2.085 173.778 175.800 0.104 0.000 1.153 151 F CA -0.976 57.125 58.000 0.169 0.000 0.931 151 F CB 1.734 40.799 39.000 0.109 0.000 1.335 151 F HN 0.650 nan 8.300 nan 0.000 0.460 152 D N 0.674 121.246 120.400 0.288 0.000 2.592 152 D HA 0.788 5.429 4.640 0.001 0.000 0.263 152 D C -1.489 175.028 176.300 0.362 0.000 1.132 152 D CA -0.961 53.136 54.000 0.161 0.000 0.996 152 D CB 1.965 42.820 40.800 0.091 0.000 1.442 152 D HN 1.139 nan 8.370 nan 0.000 0.486 153 V N -1.183 118.885 119.914 0.255 0.000 3.265 153 V HA 0.405 4.525 4.120 0.001 0.000 0.275 153 V C -1.062 175.138 176.094 0.177 0.000 1.684 153 V CA -0.437 61.999 62.300 0.226 0.000 1.032 153 V CB 1.594 33.597 31.823 0.300 0.000 1.250 153 V HN 0.934 nan 8.190 nan 0.000 0.468 154 S N 1.578 117.366 115.700 0.145 0.000 2.593 154 S HA -0.009 4.462 4.470 0.001 0.000 0.300 154 S C 1.217 175.855 174.600 0.064 0.000 1.267 154 S CA 1.090 59.351 58.200 0.102 0.000 1.065 154 S CB -0.008 63.279 63.200 0.146 0.000 0.807 154 S HN 1.618 nan 8.310 nan 0.000 0.499 155 H N 2.555 121.672 119.070 0.078 0.000 2.557 155 H HA 0.044 4.601 4.556 0.001 0.000 0.287 155 H C 1.200 176.527 175.328 -0.003 0.000 1.043 155 H CA 1.792 57.865 56.048 0.042 0.000 1.226 155 H CB -0.110 29.663 29.762 0.019 0.000 1.361 155 H HN 0.785 nan 8.280 nan 0.000 0.592 156 E N -0.027 119.896 120.200 -0.463 0.000 2.474 156 E HA -0.005 4.345 4.350 0.001 0.000 0.194 156 E C 0.327 176.588 176.600 -0.565 0.000 1.041 156 E CA 0.102 56.209 56.400 -0.489 0.000 0.874 156 E CB 0.325 29.643 29.700 -0.636 0.000 0.914 156 E HN 0.782 nan 8.360 nan 0.000 0.498 157 H N 0.232 119.263 119.070 -0.066 0.000 2.492 157 H HA 0.152 4.708 4.556 0.001 0.000 0.264 157 H C 1.492 176.870 175.328 0.084 0.000 1.150 157 H CA -0.126 55.905 56.048 -0.029 0.000 0.962 157 H CB 0.622 30.263 29.762 -0.202 0.000 1.766 157 H HN 0.132 nan 8.280 nan 0.000 0.589 158 L N 0.479 121.792 121.223 0.149 0.000 2.046 158 L HA -0.183 4.158 4.340 0.001 0.000 0.208 158 L C 2.406 179.372 176.870 0.159 0.000 1.077 158 L CA 1.679 56.637 54.840 0.196 0.000 0.747 158 L CB 0.065 42.213 42.059 0.148 0.000 0.896 158 L HN 0.315 nan 8.230 nan 0.000 0.432 159 E N -0.626 119.631 120.200 0.095 0.000 2.051 159 E HA -0.189 4.161 4.350 0.001 0.000 0.192 159 E C 2.003 178.599 176.600 -0.006 0.000 0.991 159 E CA 1.221 57.656 56.400 0.057 0.000 0.799 159 E CB -0.227 29.496 29.700 0.038 0.000 0.748 159 E HN 0.567 nan 8.360 nan 0.000 0.449 160 G N 0.437 109.231 108.800 -0.010 0.000 2.418 160 G HA2 -0.246 3.714 3.960 0.001 0.000 0.217 160 G HA3 -0.246 3.714 3.960 0.001 0.000 0.217 160 G C 1.613 176.158 174.900 -0.591 0.000 1.158 160 G CA 0.873 45.835 45.100 -0.230 0.000 0.771 160 G HN 0.415 nan 8.290 nan 0.000 0.545 161 A N 0.411 123.051 122.820 -0.300 0.000 1.872 161 A HA 0.184 4.504 4.320 0.001 0.000 0.214 161 A C 2.374 179.704 177.584 -0.424 0.000 1.187 161 A CA 1.091 52.858 52.037 -0.451 0.000 0.614 161 A CB -0.507 18.342 19.000 -0.251 0.000 0.826 161 A HN 0.319 nan 8.150 nan 0.000 0.442 162 L N -0.314 120.857 121.223 -0.087 0.000 2.042 162 L HA -0.240 4.101 4.340 0.001 0.000 0.210 162 L C 2.392 179.294 176.870 0.053 0.000 1.076 162 L CA 2.400 57.329 54.840 0.148 0.000 0.749 162 L CB -0.455 41.769 42.059 0.275 0.000 0.893 162 L HN 0.571 nan 8.230 nan 0.000 0.432 163 D N -0.282 120.073 120.400 -0.075 0.000 2.097 163 D HA -0.222 4.419 4.640 0.001 0.000 0.195 163 D C 2.237 178.440 176.300 -0.162 0.000 0.989 163 D CA 1.462 55.402 54.000 -0.099 0.000 0.827 163 D CB 0.089 40.848 40.800 -0.069 0.000 0.966 163 D HN 0.119 nan 8.370 nan 0.000 0.456 164 R N -1.064 119.214 120.500 -0.370 0.000 2.096 164 R HA -0.095 4.245 4.340 0.001 0.000 0.235 164 R C 2.317 178.389 176.300 -0.380 0.000 1.127 164 R CA 1.190 56.977 56.100 -0.521 0.000 0.968 164 R CB -0.525 29.350 30.300 -0.708 0.000 0.861 164 R HN 0.300 nan 8.270 nan 0.000 0.440 165 F N 1.134 120.755 119.950 -0.549 0.000 2.146 165 F HA -0.114 4.414 4.527 0.001 0.000 0.298 165 F C 2.264 177.698 175.800 -0.610 0.000 1.096 165 F CA 1.315 58.797 58.000 -0.864 0.000 1.275 165 F CB -0.160 38.647 39.000 -0.323 0.000 1.008 165 F HN -0.022 nan 8.300 nan 0.000 0.480 166 A N -0.096 122.634 122.820 -0.151 0.000 1.972 166 A HA -0.198 4.122 4.320 0.001 0.000 0.219 166 A C 1.985 179.440 177.584 -0.215 0.000 1.169 166 A CA 1.401 53.308 52.037 -0.217 0.000 0.635 166 A CB -0.669 17.985 19.000 -0.576 0.000 0.810 166 A HN 0.476 nan 8.150 nan 0.000 0.446 167 Q N -0.936 118.749 119.800 -0.192 0.000 2.364 167 Q HA -0.119 4.222 4.340 0.001 0.000 0.209 167 Q C 1.499 177.412 176.000 -0.145 0.000 0.977 167 Q CA 0.792 56.541 55.803 -0.090 0.000 0.885 167 Q CB -0.622 28.145 28.738 0.048 0.000 0.941 167 Q HN 0.701 nan 8.270 nan 0.000 0.464 168 F N -0.280 119.210 119.950 -0.766 0.000 2.171 168 F HA -0.128 4.400 4.527 0.001 0.000 0.300 168 F C 1.312 176.551 175.800 -0.936 0.000 1.090 168 F CA 0.517 57.832 58.000 -1.142 0.000 1.293 168 F CB -0.518 37.291 39.000 -1.985 0.000 1.013 168 F HN 0.027 nan 8.300 nan 0.000 0.486 169 F N -1.308 118.655 119.950 0.022 0.000 2.668 169 F HA 0.287 4.815 4.527 0.001 0.000 0.297 169 F C 1.251 177.132 175.800 0.134 0.000 1.124 169 F CA 0.085 58.174 58.000 0.148 0.000 1.353 169 F CB -0.537 38.522 39.000 0.100 0.000 0.992 169 F HN -0.145 nan 8.300 nan 0.000 0.524 170 L N -1.178 120.124 121.223 0.133 0.000 2.658 170 L HA 0.166 4.506 4.340 0.001 0.000 0.201 170 L C 0.519 177.410 176.870 0.035 0.000 1.050 170 L CA 0.159 55.053 54.840 0.090 0.000 0.893 170 L CB 0.783 42.855 42.059 0.022 0.000 1.503 170 L HN 0.235 nan 8.230 nan 0.000 0.485 171 C N -0.645 118.627 119.300 -0.047 0.000 3.359 171 C HA 0.450 4.910 4.460 0.001 0.000 0.194 171 C C -2.523 172.360 174.990 -0.178 0.000 1.659 171 C CA -2.086 56.881 59.018 -0.085 0.000 1.338 171 C CB -0.682 27.019 27.740 -0.066 0.000 2.109 171 C HN 0.004 nan 8.230 nan 0.000 0.518 172 P HA 0.092 nan 4.420 nan 0.000 0.271 172 P C 0.636 177.725 177.300 -0.351 0.000 1.216 172 P CA 0.262 63.047 63.100 -0.524 0.000 0.771 172 P CB 1.368 32.523 31.700 -0.908 0.000 0.864 173 L N 4.150 125.155 121.223 -0.362 0.000 2.072 173 L HA 0.110 4.450 4.340 0.001 0.000 0.205 173 L C 1.250 178.086 176.870 -0.058 0.000 1.079 173 L CA 1.084 55.817 54.840 -0.180 0.000 0.752 173 L CB -1.421 40.538 42.059 -0.166 0.000 0.906 173 L HN 0.378 nan 8.230 nan 0.000 0.436 174 F N -0.002 119.810 119.950 -0.229 0.000 3.074 174 F HA -0.261 4.267 4.527 0.001 0.000 0.287 174 F C 0.532 176.236 175.800 -0.159 0.000 0.932 174 F CA 0.250 58.117 58.000 -0.222 0.000 0.995 174 F CB -1.798 37.064 39.000 -0.231 0.000 0.966 174 F HN 0.152 nan 8.300 nan 0.000 0.721 175 D N 0.977 121.362 120.400 -0.025 0.000 2.586 175 D HA -0.024 4.616 4.640 0.001 0.000 0.234 175 D C 1.308 177.609 176.300 0.001 0.000 1.132 175 D CA 0.723 54.713 54.000 -0.017 0.000 0.860 175 D CB 0.863 41.640 40.800 -0.037 0.000 1.159 175 D HN 0.384 nan 8.370 nan 0.000 0.490 176 E N 2.350 122.554 120.200 0.006 0.000 2.097 176 E HA -0.247 4.104 4.350 0.001 0.000 0.196 176 E C 1.699 178.310 176.600 0.018 0.000 1.000 176 E CA 1.850 58.257 56.400 0.012 0.000 0.804 176 E CB -0.341 29.362 29.700 0.006 0.000 0.740 176 E HN 0.387 nan 8.360 nan 0.000 0.454 177 S N -1.465 114.242 115.700 0.011 0.000 2.383 177 S HA -0.118 4.353 4.470 0.001 0.000 0.227 177 S C 2.099 176.713 174.600 0.023 0.000 1.026 177 S CA 1.182 59.391 58.200 0.015 0.000 0.981 177 S CB -0.622 62.583 63.200 0.009 0.000 0.818 177 S HN 0.550 nan 8.310 nan 0.000 0.472 178 C N 1.536 120.845 119.300 0.014 0.000 2.440 178 C HA 0.074 4.534 4.460 0.001 0.000 0.278 178 C C 2.681 177.702 174.990 0.052 0.000 1.295 178 C CA 0.939 59.968 59.018 0.018 0.000 1.738 178 C CB -1.057 26.673 27.740 -0.018 0.000 1.987 178 C HN 0.699 nan 8.230 nan 0.000 0.492 179 K N 1.021 121.449 120.400 0.048 0.000 2.026 179 K HA -0.196 4.125 4.320 0.001 0.000 0.208 179 K C 1.414 178.149 176.600 0.226 0.000 1.048 179 K CA 1.980 58.339 56.287 0.121 0.000 0.929 179 K CB -0.313 32.227 32.500 0.068 0.000 0.713 179 K HN 0.352 nan 8.250 nan 0.000 0.439 180 D N 0.143 120.614 120.400 0.118 0.000 2.263 180 D HA -0.108 4.532 4.640 0.001 0.000 0.208 180 D C 2.001 178.340 176.300 0.065 0.000 0.971 180 D CA 0.932 54.982 54.000 0.083 0.000 0.867 180 D CB 0.101 40.928 40.800 0.045 0.000 0.929 180 D HN 0.278 nan 8.370 nan 0.000 0.492 181 R N 0.012 120.554 120.500 0.070 0.000 2.055 181 R HA 0.000 4.340 4.340 0.001 0.000 0.221 181 R C 1.983 178.320 176.300 0.061 0.000 1.154 181 R CA 0.464 56.592 56.100 0.046 0.000 0.975 181 R CB -0.117 30.202 30.300 0.032 0.000 0.869 181 R HN -0.067 nan 8.270 nan 0.000 0.437 182 E N 1.000 121.273 120.200 0.122 0.000 2.396 182 E HA -0.136 4.214 4.350 0.001 0.000 0.200 182 E C 1.597 178.262 176.600 0.108 0.000 1.023 182 E CA 0.467 56.967 56.400 0.167 0.000 0.857 182 E CB -0.153 29.702 29.700 0.258 0.000 0.775 182 E HN 0.104 nan 8.360 nan 0.000 0.525 183 V N 0.257 120.191 119.914 0.033 0.000 2.626 183 V HA -0.258 3.862 4.120 0.001 0.000 0.252 183 V C 1.184 177.114 176.094 -0.273 0.000 1.067 183 V CA 2.260 64.336 62.300 -0.373 0.000 1.081 183 V CB -0.416 31.216 31.823 -0.318 0.000 0.686 183 V HN 0.337 nan 8.190 nan 0.000 0.468 184 N N 0.623 119.250 118.700 -0.121 0.000 2.309 184 N HA -0.016 4.724 4.740 0.001 0.000 0.182 184 N C 1.847 177.316 175.510 -0.068 0.000 1.018 184 N CA 1.322 54.322 53.050 -0.084 0.000 0.876 184 N CB -0.390 38.073 38.487 -0.040 0.000 0.972 184 N HN 0.572 nan 8.380 nan 0.000 0.434 185 A N 0.297 123.084 122.820 -0.055 0.000 1.898 185 A HA -0.054 4.267 4.320 0.001 0.000 0.216 185 A C 2.290 179.834 177.584 -0.066 0.000 1.181 185 A CA 1.042 53.101 52.037 0.036 0.000 0.620 185 A CB -0.705 18.374 19.000 0.131 0.000 0.819 185 A HN 0.104 nan 8.150 nan 0.000 0.442 186 V N 0.360 120.084 119.914 -0.317 0.000 2.307 186 V HA -0.248 3.872 4.120 0.001 0.000 0.245 186 V C 2.326 178.286 176.094 -0.223 0.000 1.045 186 V CA 2.490 64.545 62.300 -0.408 0.000 1.024 186 V CB -0.755 30.675 31.823 -0.655 0.000 0.651 186 V HN 0.708 nan 8.190 nan 0.000 0.449 187 D N -0.395 119.890 120.400 -0.192 0.000 2.104 187 D HA -0.203 4.438 4.640 0.001 0.000 0.194 187 D C 2.397 178.671 176.300 -0.044 0.000 0.994 187 D CA 1.687 55.636 54.000 -0.086 0.000 0.830 187 D CB -0.177 40.578 40.800 -0.075 0.000 0.959 187 D HN 0.311 nan 8.370 nan 0.000 0.452 188 S N -0.621 115.050 115.700 -0.048 0.000 2.383 188 S HA -0.256 4.215 4.470 0.001 0.000 0.229 188 S C 1.884 176.424 174.600 -0.100 0.000 1.030 188 S CA 1.787 59.975 58.200 -0.020 0.000 1.002 188 S CB -0.464 62.771 63.200 0.059 0.000 0.829 188 S HN 0.430 nan 8.310 nan 0.000 0.467 189 E N -0.657 119.399 120.200 -0.240 0.000 2.072 189 E HA -0.246 4.105 4.350 0.001 0.000 0.191 189 E C 1.988 178.374 176.600 -0.356 0.000 0.985 189 E CA 1.426 57.496 56.400 -0.549 0.000 0.801 189 E CB -0.387 28.868 29.700 -0.742 0.000 0.750 189 E HN 0.767 nan 8.360 nan 0.000 0.452 190 H N 0.655 119.550 119.070 -0.292 0.000 2.353 190 H HA -0.069 4.488 4.556 0.001 0.000 0.300 190 H C 1.917 177.125 175.328 -0.201 0.000 1.090 190 H CA 1.909 57.808 56.048 -0.248 0.000 1.327 190 H CB 0.062 29.753 29.762 -0.119 0.000 1.383 190 H HN 0.139 nan 8.280 nan 0.000 0.508 191 E N 0.730 120.783 120.200 -0.246 0.000 2.085 191 E HA -0.206 4.145 4.350 0.001 0.000 0.194 191 E C 2.172 178.667 176.600 -0.174 0.000 0.994 191 E CA 1.551 57.822 56.400 -0.215 0.000 0.801 191 E CB -0.241 29.412 29.700 -0.079 0.000 0.743 191 E HN 0.736 nan 8.360 nan 0.000 0.453 192 K N 0.406 120.709 120.400 -0.162 0.000 2.283 192 K HA -0.080 4.240 4.320 0.001 0.000 0.202 192 K C 1.304 177.834 176.600 -0.116 0.000 1.048 192 K CA 1.235 57.458 56.287 -0.107 0.000 0.948 192 K CB 0.079 32.527 32.500 -0.086 0.000 0.742 192 K HN -0.064 nan 8.250 nan 0.000 0.458 193 N N 0.600 119.137 118.700 -0.271 0.000 2.405 193 N HA -0.031 4.710 4.740 0.001 0.000 0.175 193 N C 1.702 177.208 175.510 -0.007 0.000 1.051 193 N CA 0.517 53.402 53.050 -0.274 0.000 0.899 193 N CB 0.066 38.090 38.487 -0.772 0.000 1.000 193 N HN -0.036 nan 8.380 nan 0.000 0.451 194 V N 1.546 121.350 119.914 -0.183 0.000 2.250 194 V HA -0.224 3.896 4.120 0.001 0.000 0.253 194 V C 1.622 177.812 176.094 0.159 0.000 1.065 194 V CA 1.445 63.704 62.300 -0.068 0.000 1.039 194 V CB -0.289 31.394 31.823 -0.233 0.000 0.647 194 V HN 0.315 nan 8.190 nan 0.000 0.446 195 M N 0.126 119.774 119.600 0.080 0.000 2.571 195 M HA 0.217 4.697 4.480 0.001 0.000 0.235 195 M C 0.432 176.785 176.300 0.089 0.000 1.216 195 M CA -0.003 55.307 55.300 0.016 0.000 0.979 195 M CB -1.483 30.961 32.600 -0.259 0.000 1.616 195 M HN 0.409 nan 8.290 nan 0.000 0.469 196 N N 0.936 119.745 118.700 0.182 0.000 2.437 196 N HA 0.113 4.854 4.740 0.001 0.000 0.259 196 N C 0.504 176.116 175.510 0.170 0.000 0.983 196 N CA -0.207 52.969 53.050 0.210 0.000 0.937 196 N CB 1.386 40.063 38.487 0.317 0.000 1.122 196 N HN 0.011 nan 8.380 nan 0.000 0.499 197 D N 2.816 123.278 120.400 0.102 0.000 2.158 197 D HA -0.211 4.429 4.640 0.001 0.000 0.197 197 D C 1.621 177.926 176.300 0.010 0.000 0.995 197 D CA 1.236 55.266 54.000 0.051 0.000 0.846 197 D CB -0.091 40.740 40.800 0.052 0.000 0.941 197 D HN 0.702 nan 8.370 nan 0.000 0.456 198 A N 0.411 123.240 122.820 0.016 0.000 1.877 198 A HA -0.168 4.152 4.320 0.001 0.000 0.216 198 A C 2.087 179.566 177.584 -0.176 0.000 1.186 198 A CA 1.194 53.167 52.037 -0.106 0.000 0.620 198 A CB -1.128 17.775 19.000 -0.161 0.000 0.822 198 A HN 0.264 nan 8.150 nan 0.000 0.443 199 W N -0.316 120.915 121.300 -0.115 0.000 2.409 199 W HA -0.004 4.657 4.660 0.001 0.000 0.299 199 W C 2.582 178.822 176.519 -0.465 0.000 1.203 199 W CA 1.209 58.449 57.345 -0.174 0.000 1.298 199 W CB -0.231 29.215 29.460 -0.023 0.000 1.127 199 W HN 0.230 nan 8.180 nan 0.000 0.528 200 R N -0.347 119.982 120.500 -0.285 0.000 2.094 200 R HA -0.201 4.139 4.340 0.001 0.000 0.239 200 R C 2.028 178.139 176.300 -0.315 0.000 1.137 200 R CA 1.578 57.397 56.100 -0.469 0.000 0.943 200 R CB -1.185 29.029 30.300 -0.145 0.000 0.850 200 R HN 0.095 nan 8.270 nan 0.000 0.433 201 L N -0.086 121.010 121.223 -0.212 0.000 2.083 201 L HA -0.142 4.198 4.340 0.001 0.000 0.209 201 L C 2.044 178.767 176.870 -0.246 0.000 1.083 201 L CA 1.470 56.160 54.840 -0.252 0.000 0.752 201 L CB -0.716 41.168 42.059 -0.292 0.000 0.899 201 L HN 0.101 nan 8.230 nan 0.000 0.433 202 F N -0.044 119.699 119.950 -0.345 0.000 2.102 202 F HA -0.302 4.225 4.527 0.001 0.000 0.298 202 F C 2.648 178.295 175.800 -0.256 0.000 1.105 202 F CA 1.830 59.641 58.000 -0.314 0.000 1.239 202 F CB -0.029 38.763 39.000 -0.346 0.000 0.991 202 F HN 0.122 nan 8.300 nan 0.000 0.474 203 Q N 0.539 120.257 119.800 -0.136 0.000 2.172 203 Q HA -0.093 4.247 4.340 0.001 0.000 0.200 203 Q C 2.170 178.049 176.000 -0.202 0.000 0.964 203 Q CA 1.264 56.986 55.803 -0.136 0.000 0.855 203 Q CB -0.467 28.335 28.738 0.107 0.000 0.918 203 Q HN 0.610 nan 8.270 nan 0.000 0.444 204 L N 0.147 121.214 121.223 -0.261 0.000 2.046 204 L HA -0.199 4.142 4.340 0.001 0.000 0.208 204 L C 2.216 178.886 176.870 -0.334 0.000 1.077 204 L CA 1.829 56.472 54.840 -0.328 0.000 0.747 204 L CB -0.310 41.497 42.059 -0.420 0.000 0.896 204 L HN 0.446 nan 8.230 nan 0.000 0.432 205 E N 0.050 120.055 120.200 -0.325 0.000 2.051 205 E HA -0.271 4.079 4.350 0.001 0.000 0.192 205 E C 2.116 178.704 176.600 -0.020 0.000 0.991 205 E CA 1.375 57.660 56.400 -0.191 0.000 0.799 205 E CB 0.132 29.726 29.700 -0.177 0.000 0.748 205 E HN 0.443 nan 8.360 nan 0.000 0.449 206 K N -0.111 120.105 120.400 -0.306 0.000 2.057 206 K HA -0.084 4.237 4.320 0.001 0.000 0.207 206 K C 1.886 178.429 176.600 -0.095 0.000 1.049 206 K CA 1.143 57.158 56.287 -0.453 0.000 0.931 206 K CB -0.044 31.967 32.500 -0.816 0.000 0.714 206 K HN 0.063 nan 8.250 nan 0.000 0.440 207 A N 0.285 123.068 122.820 -0.062 0.000 2.238 207 A HA -0.019 4.301 4.320 0.001 0.000 0.208 207 A C 1.696 179.324 177.584 0.073 0.000 1.177 207 A CA 0.949 53.009 52.037 0.039 0.000 0.804 207 A CB -0.108 18.923 19.000 0.051 0.000 0.823 207 A HN 0.155 nan 8.150 nan 0.000 0.482 208 T N -0.944 113.641 114.554 0.052 0.000 3.054 208 T HA 0.386 4.736 4.350 0.001 0.000 0.255 208 T C 0.874 175.721 174.700 0.244 0.000 1.035 208 T CA 0.669 62.818 62.100 0.082 0.000 0.941 208 T CB -0.095 68.612 68.868 -0.270 0.000 1.026 208 T HN 0.495 nan 8.240 nan 0.000 0.533 209 G N 0.843 109.821 108.800 0.297 0.000 2.971 209 G HA2 0.362 4.322 3.960 0.001 0.000 0.235 209 G HA3 0.362 4.322 3.960 0.001 0.000 0.235 209 G C -0.473 174.352 174.900 -0.125 0.000 1.351 209 G CA -0.677 44.518 45.100 0.158 0.000 1.039 209 G HN 0.177 nan 8.290 nan 0.000 0.563 210 N N 1.534 119.989 118.700 -0.408 0.000 2.386 210 N HA 0.031 4.772 4.740 0.001 0.000 0.273 210 N C -0.900 174.687 175.510 0.129 0.000 1.331 210 N CA -1.334 51.698 53.050 -0.030 0.000 0.891 210 N CB 1.298 39.812 38.487 0.046 0.000 1.139 210 N HN 0.067 nan 8.380 nan 0.000 0.487 211 P HA -0.106 nan 4.420 nan 0.000 0.226 211 P C 0.374 177.772 177.300 0.162 0.000 1.153 211 P CA 1.144 64.345 63.100 0.167 0.000 0.777 211 P CB 0.378 32.176 31.700 0.164 0.000 0.794 212 K N -1.597 118.901 120.400 0.162 0.000 2.418 212 K HA -0.023 4.297 4.320 0.001 0.000 0.195 212 K C 1.104 177.791 176.600 0.145 0.000 1.035 212 K CA 0.064 56.434 56.287 0.139 0.000 1.003 212 K CB -0.204 32.367 32.500 0.118 0.000 0.793 212 K HN 0.280 nan 8.250 nan 0.000 0.494 213 H N 2.134 121.248 119.070 0.073 0.000 2.646 213 H HA 0.060 4.617 4.556 0.001 0.000 0.325 213 H C -1.885 173.494 175.328 0.084 0.000 1.075 213 H CA -2.006 54.077 56.048 0.057 0.000 1.421 213 H CB 1.483 31.226 29.762 -0.033 0.000 1.461 213 H HN -0.096 nan 8.280 nan 0.000 0.525 214 P HA -0.152 nan 4.420 nan 0.000 0.236 214 P C 1.224 178.667 177.300 0.237 0.000 1.172 214 P CA 0.687 63.923 63.100 0.227 0.000 0.759 214 P CB -0.373 31.452 31.700 0.209 0.000 0.843 215 F N 1.868 121.927 119.950 0.182 0.000 2.558 215 F HA -0.069 4.458 4.527 0.001 0.000 0.298 215 F C 1.987 177.745 175.800 -0.069 0.000 1.119 215 F CA 1.080 59.031 58.000 -0.081 0.000 1.451 215 F CB -0.096 38.620 39.000 -0.474 0.000 1.091 215 F HN -0.067 nan 8.300 nan 0.000 0.563 216 S N -0.519 115.185 115.700 0.005 0.000 2.603 216 S HA 0.074 4.544 4.470 0.001 0.000 0.220 216 S C 0.669 175.282 174.600 0.022 0.000 0.967 216 S CA -0.411 57.767 58.200 -0.037 0.000 0.920 216 S CB -0.599 62.663 63.200 0.104 0.000 0.773 216 S HN 0.246 nan 8.310 nan 0.000 0.529 217 K N 1.222 121.637 120.400 0.026 0.000 2.319 217 K HA 0.169 4.489 4.320 0.001 0.000 0.265 217 K C -0.680 175.961 176.600 0.068 0.000 1.000 217 K CA -0.382 55.950 56.287 0.076 0.000 0.943 217 K CB 0.237 32.770 32.500 0.054 0.000 0.950 217 K HN 0.284 nan 8.250 nan 0.000 0.485 218 F N 1.796 121.640 119.950 -0.176 0.000 2.375 218 F HA 0.287 4.814 4.527 0.001 0.000 0.362 218 F C 0.897 176.531 175.800 -0.277 0.000 1.129 218 F CA -1.061 56.699 58.000 -0.400 0.000 1.154 218 F CB 0.523 38.781 39.000 -1.236 0.000 1.205 218 F HN 0.622 nan 8.300 nan 0.000 0.513 219 G N 3.149 111.760 108.800 -0.316 0.000 2.494 219 G HA2 -0.123 3.838 3.960 0.001 0.000 0.216 219 G HA3 -0.123 3.838 3.960 0.001 0.000 0.216 219 G C 1.276 175.860 174.900 -0.527 0.000 1.140 219 G CA 0.835 45.739 45.100 -0.328 0.000 0.801 219 G HN 0.644 nan 8.290 nan 0.000 0.536 220 T N 0.521 114.592 114.554 -0.805 0.000 2.737 220 T HA 0.331 4.682 4.350 0.001 0.000 0.265 220 T C 1.442 175.727 174.700 -0.692 0.000 1.038 220 T CA 1.247 62.971 62.100 -0.628 0.000 1.144 220 T CB -0.524 68.092 68.868 -0.420 0.000 0.866 220 T HN 1.129 nan 8.240 nan 0.000 0.434 221 G N 2.399 110.308 108.800 -1.485 0.000 2.814 221 G HA2 0.014 3.974 3.960 0.001 0.000 0.677 221 G HA3 0.014 3.974 3.960 0.001 0.000 0.677 221 G C -0.722 173.913 174.900 -0.441 0.000 1.429 221 G CA -0.399 44.198 45.100 -0.839 0.000 0.868 221 G HN 0.908 nan 8.290 nan 0.000 0.553 222 N N -1.714 116.846 118.700 -0.234 0.000 3.106 222 N HA 0.438 5.179 4.740 0.001 0.000 0.253 222 N C 0.755 176.197 175.510 -0.113 0.000 1.506 222 N CA -0.173 52.800 53.050 -0.128 0.000 0.876 222 N CB 0.817 39.307 38.487 0.006 0.000 1.452 222 N HN 0.715 nan 8.380 nan 0.000 0.542 223 K N -1.249 119.109 120.400 -0.071 0.000 2.160 223 K HA -0.237 4.084 4.320 0.001 0.000 0.206 223 K C 1.062 177.666 176.600 0.006 0.000 1.047 223 K CA 1.487 57.734 56.287 -0.067 0.000 0.930 223 K CB -0.294 32.192 32.500 -0.023 0.000 0.720 223 K HN 0.536 nan 8.250 nan 0.000 0.450 224 Y N 1.019 121.307 120.300 -0.020 0.000 2.153 224 Y HA -0.193 4.358 4.550 0.001 0.000 0.289 224 Y C 2.516 178.436 175.900 0.034 0.000 1.127 224 Y CA 2.244 60.361 58.100 0.028 0.000 1.131 224 Y CB -0.732 37.781 38.460 0.088 0.000 0.995 224 Y HN 0.190 nan 8.280 nan 0.000 0.505 225 T N -2.016 112.511 114.554 -0.045 0.000 2.995 225 T HA -0.071 4.279 4.350 0.001 0.000 0.269 225 T C 1.409 176.006 174.700 -0.171 0.000 1.091 225 T CA 1.191 63.212 62.100 -0.132 0.000 1.128 225 T CB -0.354 68.514 68.868 0.001 0.000 0.891 225 T HN 0.202 nan 8.240 nan 0.000 0.492 226 L N 0.080 121.189 121.223 -0.191 0.000 2.616 226 L HA 0.523 4.864 4.340 0.001 0.000 0.229 226 L C 1.908 178.686 176.870 -0.152 0.000 1.110 226 L CA 0.642 55.357 54.840 -0.209 0.000 0.884 226 L CB -0.049 41.753 42.059 -0.427 0.000 1.115 226 L HN 0.501 nan 8.230 nan 0.000 0.481 227 E N -2.094 118.020 120.200 -0.145 0.000 3.823 227 E HA -0.035 4.315 4.350 0.001 0.000 0.225 227 E C 1.519 178.063 176.600 -0.093 0.000 1.257 227 E CA 0.767 57.112 56.400 -0.091 0.000 1.684 227 E CB 0.287 29.942 29.700 -0.076 0.000 1.550 227 E HN 0.128 nan 8.360 nan 0.000 0.709 228 T N 1.711 116.206 114.554 -0.098 0.000 2.595 228 T HA -0.204 4.146 4.350 0.001 0.000 0.264 228 T C 1.868 176.469 174.700 -0.165 0.000 1.058 228 T CA 1.915 63.969 62.100 -0.077 0.000 1.166 228 T CB -0.400 68.498 68.868 0.050 0.000 0.863 228 T HN -0.001 nan 8.240 nan 0.000 0.415 229 R N 2.219 122.461 120.500 -0.430 0.000 2.091 229 R HA -0.058 4.282 4.340 0.001 0.000 0.238 229 R C -0.660 175.528 176.300 -0.186 0.000 1.136 229 R CA 1.631 57.490 56.100 -0.401 0.000 0.959 229 R CB -1.485 28.378 30.300 -0.729 0.000 0.856 229 R HN 0.372 nan 8.270 nan 0.000 0.437 230 P HA -0.085 nan 4.420 nan 0.000 0.217 230 P C 0.311 177.580 177.300 -0.051 0.000 1.151 230 P CA 1.216 64.266 63.100 -0.082 0.000 0.828 230 P CB -0.175 31.484 31.700 -0.069 0.000 0.788 231 N N 0.253 118.923 118.700 -0.051 0.000 2.166 231 N HA -0.171 4.569 4.740 0.001 0.000 0.186 231 N C 2.022 177.521 175.510 -0.019 0.000 1.019 231 N CA 1.010 54.044 53.050 -0.027 0.000 0.856 231 N CB -0.653 37.822 38.487 -0.021 0.000 0.993 231 N HN 0.367 nan 8.380 nan 0.000 0.426 232 Q N 1.032 120.817 119.800 -0.025 0.000 2.119 232 Q HA -0.065 4.276 4.340 0.001 0.000 0.201 232 Q C 0.824 176.820 176.000 -0.006 0.000 0.972 232 Q CA 1.132 56.930 55.803 -0.009 0.000 0.847 232 Q CB 0.079 28.816 28.738 -0.001 0.000 0.903 232 Q HN 0.379 nan 8.270 nan 0.000 0.433 233 E N -0.821 119.370 120.200 -0.015 0.000 2.502 233 E HA 0.052 4.403 4.350 0.001 0.000 0.194 233 E C 0.492 177.089 176.600 -0.004 0.000 1.062 233 E CA 0.285 56.681 56.400 -0.006 0.000 0.867 233 E CB 0.203 29.898 29.700 -0.009 0.000 0.888 233 E HN 0.628 nan 8.360 nan 0.000 0.510 234 G N 1.845 110.641 108.800 -0.007 0.000 2.160 234 G HA2 -0.296 3.664 3.960 0.001 0.000 0.251 234 G HA3 -0.296 3.664 3.960 0.001 0.000 0.251 234 G C 0.182 175.079 174.900 -0.005 0.000 1.008 234 G CA 0.075 45.173 45.100 -0.004 0.000 0.724 234 G HN 0.248 nan 8.290 nan 0.000 0.514 235 I N 0.378 120.943 120.570 -0.009 0.000 2.440 235 I HA 0.286 4.457 4.170 0.001 0.000 0.294 235 I C -0.224 175.887 176.117 -0.009 0.000 0.995 235 I CA -0.640 60.656 61.300 -0.008 0.000 1.306 235 I CB 1.420 39.414 38.000 -0.008 0.000 1.407 235 I HN 0.032 nan 8.210 nan 0.000 0.501 236 D N 5.641 126.035 120.400 -0.009 0.000 2.443 236 D HA 0.156 4.797 4.640 0.001 0.000 0.221 236 D C 0.815 177.107 176.300 -0.014 0.000 1.097 236 D CA -0.348 53.645 54.000 -0.012 0.000 0.865 236 D CB 1.581 42.371 40.800 -0.017 0.000 1.034 236 D HN 0.229 nan 8.370 nan 0.000 0.511 237 V N 5.098 125.013 119.914 0.001 0.000 2.332 237 V HA -0.209 3.911 4.120 0.001 0.000 0.248 237 V C 2.668 178.746 176.094 -0.026 0.000 1.055 237 V CA 1.445 63.754 62.300 0.016 0.000 1.038 237 V CB -0.514 31.358 31.823 0.080 0.000 0.651 237 V HN 0.584 nan 8.190 nan 0.000 0.450 238 R N -0.212 120.267 120.500 -0.035 0.000 2.091 238 R HA -0.255 4.085 4.340 0.001 0.000 0.238 238 R C 2.423 178.620 176.300 -0.171 0.000 1.136 238 R CA 2.330 58.372 56.100 -0.096 0.000 0.959 238 R CB -0.267 30.003 30.300 -0.051 0.000 0.856 238 R HN 0.629 nan 8.270 nan 0.000 0.437 239 Q N -0.129 119.605 119.800 -0.110 0.000 2.079 239 Q HA -0.153 4.188 4.340 0.001 0.000 0.200 239 Q C 1.781 177.708 176.000 -0.122 0.000 0.974 239 Q CA 1.465 57.200 55.803 -0.113 0.000 0.840 239 Q CB 0.152 28.853 28.738 -0.062 0.000 0.898 239 Q HN 0.274 nan 8.270 nan 0.000 0.430 240 E N 0.478 120.630 120.200 -0.079 0.000 2.110 240 E HA -0.184 4.167 4.350 0.001 0.000 0.193 240 E C 2.094 178.658 176.600 -0.060 0.000 0.988 240 E CA 0.805 57.186 56.400 -0.032 0.000 0.804 240 E CB -0.242 29.459 29.700 0.001 0.000 0.745 240 E HN 0.431 nan 8.360 nan 0.000 0.458 241 L N 0.265 121.365 121.223 -0.204 0.000 2.017 241 L HA -0.196 4.145 4.340 0.001 0.000 0.208 241 L C 2.621 179.141 176.870 -0.583 0.000 1.073 241 L CA 0.911 55.523 54.840 -0.381 0.000 0.745 241 L CB -0.418 41.272 42.059 -0.615 0.000 0.894 241 L HN 0.114 nan 8.230 nan 0.000 0.432 242 L N -0.211 120.591 121.223 -0.702 0.000 2.017 242 L HA -0.263 4.077 4.340 0.001 0.000 0.208 242 L C 2.711 179.472 176.870 -0.182 0.000 1.073 242 L CA 1.490 55.998 54.840 -0.555 0.000 0.745 242 L CB -0.472 41.356 42.059 -0.384 0.000 0.894 242 L HN 0.248 nan 8.230 nan 0.000 0.432 243 K N -0.258 120.083 120.400 -0.098 0.000 2.097 243 K HA -0.247 4.073 4.320 0.001 0.000 0.206 243 K C 2.203 178.840 176.600 0.061 0.000 1.049 243 K CA 1.562 57.841 56.287 -0.013 0.000 0.933 243 K CB -0.193 32.310 32.500 0.005 0.000 0.717 243 K HN 0.125 nan 8.250 nan 0.000 0.442 244 F N 1.507 121.459 119.950 0.004 0.000 2.113 244 F HA -0.227 4.301 4.527 0.001 0.000 0.297 244 F C 2.536 178.462 175.800 0.210 0.000 1.103 244 F CA 1.880 59.977 58.000 0.161 0.000 1.248 244 F CB -0.458 38.631 39.000 0.150 0.000 0.999 244 F HN 0.209 nan 8.300 nan 0.000 0.475 245 H N -0.792 118.325 119.070 0.079 0.000 2.321 245 H HA -0.162 4.395 4.556 0.001 0.000 0.300 245 H C 2.445 177.772 175.328 -0.000 0.000 1.087 245 H CA 1.785 57.789 56.048 -0.073 0.000 1.319 245 H CB -0.524 29.182 29.762 -0.095 0.000 1.379 245 H HN 0.403 nan 8.280 nan 0.000 0.501 246 S N -0.173 115.608 115.700 0.135 0.000 2.382 246 S HA -0.088 4.383 4.470 0.001 0.000 0.228 246 S C 2.325 176.885 174.600 -0.065 0.000 1.027 246 S CA 1.235 59.473 58.200 0.064 0.000 0.991 246 S CB -0.391 62.827 63.200 0.029 0.000 0.823 246 S HN 0.579 nan 8.310 nan 0.000 0.469 247 A N -0.804 121.913 122.820 -0.172 0.000 1.935 247 A HA 0.227 4.547 4.320 0.001 0.000 0.214 247 A C 1.632 178.894 177.584 -0.536 0.000 1.178 247 A CA 0.847 52.650 52.037 -0.389 0.000 0.640 247 A CB -0.519 18.154 19.000 -0.546 0.000 0.825 247 A HN 0.709 nan 8.150 nan 0.000 0.447 248 Y N -3.386 116.774 120.300 -0.234 0.000 2.462 248 Y HA 0.212 4.762 4.550 0.001 0.000 0.253 248 Y C 0.323 176.169 175.900 -0.090 0.000 1.095 248 Y CA -0.284 57.683 58.100 -0.222 0.000 1.283 248 Y CB 0.242 38.427 38.460 -0.459 0.000 1.138 248 Y HN 0.298 nan 8.280 nan 0.000 0.522 249 Y N 1.170 121.366 120.300 -0.172 0.000 2.851 249 Y HA 0.169 4.720 4.550 0.001 0.000 0.369 249 Y C 0.687 176.516 175.900 -0.118 0.000 1.226 249 Y CA -0.613 57.378 58.100 -0.181 0.000 1.949 249 Y CB 0.139 38.298 38.460 -0.501 0.000 2.059 249 Y HN -0.135 nan 8.280 nan 0.000 0.420 250 S N 0.064 115.753 115.700 -0.018 0.000 2.541 250 S HA 0.110 4.580 4.470 0.001 0.000 0.283 250 S C 1.307 175.892 174.600 -0.025 0.000 1.196 250 S CA -0.278 57.911 58.200 -0.018 0.000 1.062 250 S CB 0.970 64.147 63.200 -0.039 0.000 1.009 250 S HN 0.655 nan 8.310 nan 0.000 0.502 251 S N 3.929 119.629 115.700 -0.001 0.000 2.400 251 S HA -0.200 4.271 4.470 0.001 0.000 0.232 251 S C 1.687 176.283 174.600 -0.006 0.000 1.025 251 S CA 1.459 59.660 58.200 0.001 0.000 0.993 251 S CB -0.775 62.441 63.200 0.027 0.000 0.808 251 S HN 0.909 nan 8.310 nan 0.000 0.478 252 N N 2.018 120.712 118.700 -0.011 0.000 2.453 252 N HA -0.070 4.670 4.740 0.001 0.000 0.183 252 N C 1.096 176.606 175.510 -0.000 0.000 1.041 252 N CA 0.793 53.836 53.050 -0.011 0.000 0.900 252 N CB -0.428 38.044 38.487 -0.025 0.000 0.961 252 N HN 0.529 nan 8.380 nan 0.000 0.443 253 L N 0.044 121.264 121.223 -0.006 0.000 3.017 253 L HA 0.414 4.754 4.340 0.001 0.000 0.255 253 L C 0.073 176.998 176.870 0.091 0.000 1.247 253 L CA -0.170 54.673 54.840 0.006 0.000 1.038 253 L CB 0.036 42.054 42.059 -0.069 0.000 1.380 253 L HN 0.001 nan 8.230 nan 0.000 0.548 254 M N 0.339 119.999 119.600 0.100 0.000 2.535 254 M HA 0.702 5.183 4.480 0.001 0.000 0.314 254 M C -0.505 175.790 176.300 -0.009 0.000 1.153 254 M CA -0.327 55.006 55.300 0.055 0.000 0.924 254 M CB 2.654 35.191 32.600 -0.104 0.000 1.710 254 M HN 0.021 nan 8.290 nan 0.000 0.451 255 A N 2.274 125.022 122.820 -0.119 0.000 2.393 255 A HA 0.884 5.205 4.320 0.001 0.000 0.306 255 A C -1.224 176.223 177.584 -0.230 0.000 1.050 255 A CA -0.661 51.194 52.037 -0.303 0.000 0.724 255 A CB 1.559 20.161 19.000 -0.664 0.000 1.248 255 A HN 0.608 nan 8.150 nan 0.000 0.424 256 V N 0.588 120.351 119.914 -0.250 0.000 2.876 256 V HA 0.645 4.765 4.120 0.001 0.000 0.312 256 V C -0.758 175.206 176.094 -0.217 0.000 1.085 256 V CA -0.528 61.607 62.300 -0.275 0.000 0.945 256 V CB 1.850 33.377 31.823 -0.494 0.000 1.017 256 V HN 1.191 nan 8.190 nan 0.000 0.428 257 C N 4.710 123.899 119.300 -0.186 0.000 2.481 257 C HA 0.859 5.320 4.460 0.001 0.000 0.324 257 C C -0.986 173.908 174.990 -0.160 0.000 1.170 257 C CA -0.148 58.775 59.018 -0.159 0.000 1.361 257 C CB 0.710 28.358 27.740 -0.153 0.000 1.977 257 C HN 0.721 nan 8.230 nan 0.000 0.459 258 V N 6.551 126.386 119.914 -0.133 0.000 2.588 258 V HA 0.667 4.788 4.120 0.001 0.000 0.304 258 V C -0.752 175.286 176.094 -0.094 0.000 1.042 258 V CA -0.516 61.715 62.300 -0.114 0.000 0.877 258 V CB 1.592 33.378 31.823 -0.061 0.000 0.996 258 V HN 0.775 nan 8.190 nan 0.000 0.425 259 L N 4.282 125.450 121.223 -0.092 0.000 2.381 259 L HA 1.056 5.396 4.340 0.001 0.000 0.274 259 L C -0.082 176.764 176.870 -0.040 0.000 0.988 259 L CA 0.241 55.040 54.840 -0.068 0.000 0.824 259 L CB 1.390 43.425 42.059 -0.039 0.000 1.263 259 L HN 0.805 nan 8.230 nan 0.000 0.410 260 G N 3.979 112.760 108.800 -0.032 0.000 2.606 260 G HA2 0.330 4.290 3.960 0.001 0.000 0.300 260 G HA3 0.330 4.290 3.960 0.001 0.000 0.300 260 G C -0.196 174.692 174.900 -0.020 0.000 1.360 260 G CA -0.650 44.452 45.100 0.002 0.000 0.783 260 G HN 0.516 nan 8.290 nan 0.000 0.484 261 R N -0.251 120.245 120.500 -0.005 0.000 2.153 261 R HA 0.084 4.425 4.340 0.001 0.000 0.218 261 R C 0.315 176.598 176.300 -0.027 0.000 1.072 261 R CA 0.367 56.440 56.100 -0.045 0.000 0.990 261 R CB -0.022 30.230 30.300 -0.082 0.000 0.889 261 R HN 0.546 nan 8.270 nan 0.000 0.452 262 E N 1.143 121.342 120.200 -0.002 0.000 2.458 262 E HA -0.066 4.285 4.350 0.001 0.000 0.264 262 E C 0.115 176.704 176.600 -0.019 0.000 1.097 262 E CA 0.239 56.638 56.400 -0.002 0.000 0.973 262 E CB 0.412 30.119 29.700 0.011 0.000 0.963 262 E HN 0.135 nan 8.360 nan 0.000 0.451 263 S N 1.118 116.809 115.700 -0.015 0.000 2.603 263 S HA 0.124 4.594 4.470 0.001 0.000 0.268 263 S C 1.235 175.822 174.600 -0.021 0.000 1.317 263 S CA -0.690 57.497 58.200 -0.021 0.000 1.012 263 S CB 0.479 63.670 63.200 -0.014 0.000 0.926 263 S HN 0.511 nan 8.310 nan 0.000 0.539 264 L N 0.437 121.643 121.223 -0.028 0.000 2.043 264 L HA -0.171 4.170 4.340 0.001 0.000 0.212 264 L C 2.204 179.066 176.870 -0.012 0.000 1.075 264 L CA 1.654 56.479 54.840 -0.025 0.000 0.752 264 L CB -0.806 41.236 42.059 -0.028 0.000 0.891 264 L HN 0.656 nan 8.230 nan 0.000 0.432 265 D N 0.048 120.443 120.400 -0.009 0.000 2.092 265 D HA -0.186 4.455 4.640 0.001 0.000 0.193 265 D C 1.876 178.179 176.300 0.005 0.000 0.994 265 D CA 1.334 55.333 54.000 -0.002 0.000 0.828 265 D CB -0.252 40.547 40.800 -0.002 0.000 0.963 265 D HN 0.288 nan 8.370 nan 0.000 0.450 266 D N 0.088 120.491 120.400 0.005 0.000 2.117 266 D HA -0.079 4.561 4.640 0.001 0.000 0.197 266 D C 2.354 178.666 176.300 0.020 0.000 0.987 266 D CA 0.313 54.320 54.000 0.012 0.000 0.829 266 D CB -0.270 40.536 40.800 0.011 0.000 0.961 266 D HN 0.228 nan 8.370 nan 0.000 0.460 267 L N 0.719 121.950 121.223 0.013 0.000 2.131 267 L HA -0.152 4.189 4.340 0.001 0.000 0.210 267 L C 2.426 179.313 176.870 0.029 0.000 1.092 267 L CA 1.038 55.890 54.840 0.020 0.000 0.759 267 L CB -0.549 41.509 42.059 -0.001 0.000 0.903 267 L HN 0.048 nan 8.230 nan 0.000 0.435 268 T N -0.599 113.967 114.554 0.019 0.000 2.737 268 T HA -0.123 4.227 4.350 0.001 0.000 0.265 268 T C 1.698 176.422 174.700 0.040 0.000 1.038 268 T CA 1.349 63.464 62.100 0.024 0.000 1.144 268 T CB -0.222 68.653 68.868 0.013 0.000 0.866 268 T HN 0.327 nan 8.240 nan 0.000 0.434 269 N N 1.343 120.063 118.700 0.035 0.000 2.166 269 N HA -0.035 4.706 4.740 0.001 0.000 0.186 269 N C 1.822 177.366 175.510 0.056 0.000 1.019 269 N CA 0.670 53.744 53.050 0.039 0.000 0.856 269 N CB -0.598 37.906 38.487 0.028 0.000 0.993 269 N HN 0.217 nan 8.380 nan 0.000 0.426 270 L N 1.180 122.440 121.223 0.062 0.000 2.017 270 L HA -0.075 4.266 4.340 0.001 0.000 0.208 270 L C 2.057 179.009 176.870 0.137 0.000 1.073 270 L CA 1.348 56.239 54.840 0.084 0.000 0.745 270 L CB -0.639 41.470 42.059 0.083 0.000 0.894 270 L HN -0.116 nan 8.230 nan 0.000 0.432 271 V N -1.196 118.812 119.914 0.157 0.000 2.407 271 V HA -0.243 3.877 4.120 0.001 0.000 0.248 271 V C 2.487 178.739 176.094 0.264 0.000 1.055 271 V CA 1.494 63.949 62.300 0.258 0.000 1.049 271 V CB -0.375 31.527 31.823 0.133 0.000 0.662 271 V HN 0.358 nan 8.190 nan 0.000 0.455 272 V N 1.211 121.212 119.914 0.146 0.000 2.307 272 V HA -0.250 3.870 4.120 0.001 0.000 0.245 272 V C 2.436 178.588 176.094 0.096 0.000 1.045 272 V CA 2.340 64.708 62.300 0.114 0.000 1.024 272 V CB -0.783 31.081 31.823 0.067 0.000 0.651 272 V HN 0.769 nan 8.190 nan 0.000 0.449 273 K N 0.133 120.577 120.400 0.072 0.000 2.442 273 K HA -0.031 4.289 4.320 0.001 0.000 0.198 273 K C 1.719 178.323 176.600 0.007 0.000 1.042 273 K CA 1.451 57.760 56.287 0.037 0.000 0.958 273 K CB -0.163 32.353 32.500 0.027 0.000 0.766 273 K HN 0.404 nan 8.250 nan 0.000 0.474 274 L N -1.098 120.131 121.223 0.010 0.000 2.537 274 L HA 0.228 4.568 4.340 0.001 0.000 0.224 274 L C 1.071 177.717 176.870 -0.373 0.000 1.065 274 L CA 0.061 54.793 54.840 -0.179 0.000 0.860 274 L CB 0.233 42.150 42.059 -0.236 0.000 1.086 274 L HN 0.061 nan 8.230 nan 0.000 0.482 275 F N -0.900 119.088 119.950 0.064 0.000 2.706 275 F HA 0.058 4.585 4.527 0.001 0.000 0.308 275 F C 2.443 178.265 175.800 0.037 0.000 1.095 275 F CA 0.310 58.344 58.000 0.058 0.000 1.244 275 F CB 0.130 39.159 39.000 0.048 0.000 1.063 275 F HN -0.036 nan 8.300 nan 0.000 0.582 276 S N -0.563 115.231 115.700 0.157 0.000 2.555 276 S HA -0.073 4.398 4.470 0.001 0.000 0.230 276 S C 1.416 176.055 174.600 0.066 0.000 0.978 276 S CA 0.726 58.986 58.200 0.100 0.000 0.934 276 S CB -0.248 62.994 63.200 0.071 0.000 0.766 276 S HN 0.284 nan 8.310 nan 0.000 0.533 277 E N 1.193 121.424 120.200 0.051 0.000 2.442 277 E HA 0.177 4.528 4.350 0.001 0.000 0.195 277 E C 0.200 176.829 176.600 0.049 0.000 1.030 277 E CA 0.026 56.445 56.400 0.032 0.000 0.869 277 E CB -0.038 29.664 29.700 0.003 0.000 0.857 277 E HN 0.389 nan 8.360 nan 0.000 0.505 278 V N 3.525 123.486 119.914 0.080 0.000 2.585 278 V HA -0.072 4.048 4.120 0.001 0.000 0.296 278 V C 0.709 176.845 176.094 0.070 0.000 1.035 278 V CA 0.198 62.558 62.300 0.099 0.000 1.084 278 V CB 0.321 32.230 31.823 0.145 0.000 0.953 278 V HN 0.107 nan 8.190 nan 0.000 0.483 279 E N 3.635 123.872 120.200 0.062 0.000 2.390 279 E HA 0.191 4.542 4.350 0.001 0.000 0.261 279 E C -0.196 176.419 176.600 0.026 0.000 1.076 279 E CA -0.503 55.919 56.400 0.037 0.000 0.905 279 E CB 0.529 30.248 29.700 0.030 0.000 0.984 279 E HN 0.596 nan 8.360 nan 0.000 0.427 280 N N 1.378 120.084 118.700 0.010 0.000 2.564 280 N HA 0.101 4.841 4.740 0.001 0.000 0.248 280 N C -0.819 174.680 175.510 -0.018 0.000 0.986 280 N CA -0.474 52.574 53.050 -0.003 0.000 0.921 280 N CB 0.828 39.314 38.487 -0.002 0.000 1.136 280 N HN 0.217 nan 8.380 nan 0.000 0.509 281 K N 1.729 122.111 120.400 -0.031 0.000 2.504 281 K HA 0.237 4.558 4.320 0.001 0.000 0.199 281 K C -0.275 176.291 176.600 -0.057 0.000 1.028 281 K CA -0.149 56.109 56.287 -0.048 0.000 1.164 281 K CB -0.297 32.160 32.500 -0.072 0.000 0.877 281 K HN 0.509 nan 8.250 nan 0.000 0.508 282 N N 0.671 119.343 118.700 -0.046 0.000 2.686 282 N HA -0.180 4.561 4.740 0.001 0.000 0.261 282 N C -0.935 174.537 175.510 -0.063 0.000 1.001 282 N CA 0.581 53.602 53.050 -0.048 0.000 0.764 282 N CB -1.180 37.281 38.487 -0.042 0.000 0.898 282 N HN -0.050 nan 8.380 nan 0.000 0.544 283 V N 1.074 120.946 119.914 -0.071 0.000 2.530 283 V HA 0.211 4.332 4.120 0.001 0.000 0.282 283 V C -1.578 174.471 176.094 -0.075 0.000 1.048 283 V CA -1.086 61.166 62.300 -0.081 0.000 0.997 283 V CB 1.135 32.908 31.823 -0.082 0.000 0.987 283 V HN 0.120 nan 8.190 nan 0.000 0.477 284 P HA 0.127 nan 4.420 nan 0.000 0.271 284 P C -0.369 176.860 177.300 -0.119 0.000 1.216 284 P CA -0.417 62.628 63.100 -0.092 0.000 0.771 284 P CB 0.466 32.116 31.700 -0.084 0.000 0.864 285 L N 5.885 127.003 121.223 -0.176 0.000 2.462 285 L HA 0.214 4.555 4.340 0.001 0.000 0.272 285 L C -2.111 174.589 176.870 -0.283 0.000 1.166 285 L CA -1.565 53.110 54.840 -0.275 0.000 0.880 285 L CB 0.150 41.996 42.059 -0.356 0.000 1.142 285 L HN 0.294 nan 8.230 nan 0.000 0.473 286 P HA 0.137 nan 4.420 nan 0.000 0.265 286 P C -1.042 175.906 177.300 -0.586 0.000 1.193 286 P CA 0.185 63.047 63.100 -0.397 0.000 0.765 286 P CB 0.600 32.135 31.700 -0.275 0.000 0.823 287 E N 1.644 121.403 120.200 -0.735 0.000 2.293 287 E HA 0.387 4.738 4.350 0.001 0.000 0.270 287 E C -1.066 175.044 176.600 -0.816 0.000 0.879 287 E CA -0.496 55.543 56.400 -0.603 0.000 0.756 287 E CB 1.545 31.077 29.700 -0.281 0.000 1.208 287 E HN 0.285 nan 8.360 nan 0.000 0.428 288 F N 2.272 122.278 119.950 0.092 0.000 2.523 288 F HA 0.238 4.765 4.527 0.001 0.000 0.322 288 F C -1.584 174.338 175.800 0.203 0.000 1.361 288 F CA -1.599 56.505 58.000 0.173 0.000 1.151 288 F CB 0.894 40.147 39.000 0.422 0.000 1.391 288 F HN 0.290 nan 8.300 nan 0.000 0.566 289 P HA -0.199 nan 4.420 nan 0.000 0.217 289 P C 0.330 177.733 177.300 0.171 0.000 1.150 289 P CA 1.122 64.312 63.100 0.150 0.000 0.832 289 P CB 0.453 32.193 31.700 0.067 0.000 0.787 290 E N 0.517 120.813 120.200 0.160 0.000 2.223 290 E HA 0.004 4.355 4.350 0.001 0.000 0.282 290 E C 0.017 176.707 176.600 0.150 0.000 1.046 290 E CA -0.526 55.963 56.400 0.148 0.000 0.857 290 E CB 0.135 29.900 29.700 0.109 0.000 1.055 290 E HN 0.153 nan 8.360 nan 0.000 0.409 291 H N 5.506 124.555 119.070 -0.036 0.000 2.848 291 H HA 0.035 4.592 4.556 0.001 0.000 0.341 291 H C -1.847 173.187 175.328 -0.490 0.000 1.060 291 H CA -1.623 54.224 56.048 -0.336 0.000 1.444 291 H CB 1.367 31.006 29.762 -0.205 0.000 1.446 291 H HN 0.475 nan 8.280 nan 0.000 0.583 292 P HA -0.139 nan 4.420 nan 0.000 0.217 292 P C -0.374 176.680 177.300 -0.410 0.000 1.148 292 P CA 1.213 63.658 63.100 -1.091 0.000 0.828 292 P CB 0.080 30.603 31.700 -1.961 0.000 0.783 293 F N 0.076 120.041 119.950 0.025 0.000 2.361 293 F HA 0.334 4.862 4.527 0.001 0.000 0.364 293 F C 1.096 176.962 175.800 0.109 0.000 1.120 293 F CA -1.011 57.002 58.000 0.020 0.000 1.102 293 F CB 0.108 39.157 39.000 0.082 0.000 1.183 293 F HN -0.149 nan 8.300 nan 0.000 0.476 294 Q N 0.999 121.111 119.800 0.520 0.000 2.364 294 Q HA 0.175 4.516 4.340 0.001 0.000 0.204 294 Q C 1.399 177.566 176.000 0.278 0.000 1.002 294 Q CA -0.488 55.535 55.803 0.367 0.000 1.012 294 Q CB 0.601 29.552 28.738 0.356 0.000 1.188 294 Q HN 0.505 nan 8.270 nan 0.000 0.522 295 E N 1.418 121.708 120.200 0.150 0.000 2.070 295 E HA -0.225 4.125 4.350 0.001 0.000 0.197 295 E C 1.478 178.090 176.600 0.021 0.000 1.004 295 E CA 1.978 58.425 56.400 0.079 0.000 0.805 295 E CB 0.024 29.755 29.700 0.051 0.000 0.744 295 E HN 0.606 nan 8.360 nan 0.000 0.451 296 E N -0.463 119.695 120.200 -0.070 0.000 2.401 296 E HA -0.210 4.140 4.350 0.001 0.000 0.199 296 E C 0.686 177.103 176.600 -0.306 0.000 1.023 296 E CA 1.079 57.351 56.400 -0.214 0.000 0.859 296 E CB -0.389 29.130 29.700 -0.302 0.000 0.780 296 E HN 0.551 nan 8.360 nan 0.000 0.523 297 H N 0.240 119.360 119.070 0.084 0.000 2.549 297 H HA 0.357 4.914 4.556 0.001 0.000 0.279 297 H C 0.568 175.892 175.328 -0.005 0.000 1.018 297 H CA -0.068 56.020 56.048 0.067 0.000 1.175 297 H CB 0.654 30.501 29.762 0.143 0.000 1.485 297 H HN 0.074 nan 8.280 nan 0.000 0.543 298 L N 0.162 121.435 121.223 0.083 0.000 2.332 298 L HA 0.263 4.603 4.340 0.001 0.000 0.269 298 L C 0.688 177.581 176.870 0.039 0.000 1.016 298 L CA -0.871 54.003 54.840 0.058 0.000 0.809 298 L CB 1.296 43.404 42.059 0.082 0.000 1.280 298 L HN -0.022 nan 8.230 nan 0.000 0.447 299 K N 0.162 120.595 120.400 0.055 0.000 3.071 299 K HA -0.171 4.150 4.320 0.001 0.000 0.265 299 K C -0.622 175.984 176.600 0.009 0.000 1.060 299 K CA 0.341 56.666 56.287 0.064 0.000 0.767 299 K CB -1.058 31.474 32.500 0.053 0.000 1.241 299 K HN 0.470 nan 8.250 nan 0.000 0.486 300 Q N 0.454 120.244 119.800 -0.016 0.000 2.266 300 Q HA 0.521 4.861 4.340 0.001 0.000 0.261 300 Q C -0.564 175.311 176.000 -0.208 0.000 0.985 300 Q CA -0.891 54.816 55.803 -0.161 0.000 0.873 300 Q CB 1.861 30.477 28.738 -0.203 0.000 1.306 300 Q HN 0.228 nan 8.270 nan 0.000 0.447 301 L N 2.102 123.103 121.223 -0.370 0.000 2.346 301 L HA 0.499 4.839 4.340 0.001 0.000 0.276 301 L C -1.809 174.772 176.870 -0.482 0.000 1.006 301 L CA -0.509 54.185 54.840 -0.243 0.000 0.817 301 L CB 1.111 43.103 42.059 -0.112 0.000 1.272 301 L HN 0.451 nan 8.230 nan 0.000 0.421 302 Y N 3.577 123.882 120.300 0.008 0.000 2.361 302 Y HA 0.538 5.088 4.550 0.001 0.000 0.337 302 Y C -0.343 175.538 175.900 -0.032 0.000 0.965 302 Y CA -0.713 57.398 58.100 0.019 0.000 1.091 302 Y CB 1.806 40.284 38.460 0.030 0.000 1.182 302 Y HN 0.396 nan 8.280 nan 0.000 0.450 303 K N 4.720 125.102 120.400 -0.029 0.000 2.339 303 K HA 0.627 4.947 4.320 0.001 0.000 0.264 303 K C -1.411 175.161 176.600 -0.047 0.000 0.986 303 K CA -0.549 55.505 56.287 -0.388 0.000 0.866 303 K CB 1.379 33.134 32.500 -1.243 0.000 1.103 303 K HN 0.456 nan 8.250 nan 0.000 0.441 304 I N 2.033 122.731 120.570 0.213 0.000 2.569 304 I HA 0.217 4.387 4.170 0.001 0.000 0.296 304 I C -0.404 175.921 176.117 0.347 0.000 1.028 304 I CA -0.996 60.467 61.300 0.272 0.000 1.082 304 I CB 2.020 40.125 38.000 0.175 0.000 1.264 304 I HN 0.192 nan 8.210 nan 0.000 0.429 305 V N 7.264 127.335 119.914 0.262 0.000 2.385 305 V HA 0.389 4.509 4.120 0.001 0.000 0.269 305 V C -1.901 174.275 176.094 0.136 0.000 1.043 305 V CA -1.226 61.198 62.300 0.207 0.000 0.906 305 V CB 0.661 32.585 31.823 0.168 0.000 0.995 305 V HN 0.636 nan 8.190 nan 0.000 0.467 306 P HA 0.396 nan 4.420 nan 0.000 0.279 306 P C 0.508 177.839 177.300 0.052 0.000 1.276 306 P CA -0.414 62.732 63.100 0.078 0.000 0.801 306 P CB 1.752 33.498 31.700 0.077 0.000 1.127 307 I N -0.977 119.615 120.570 0.036 0.000 2.385 307 I HA 0.096 4.266 4.170 0.001 0.000 0.244 307 I C 1.368 177.490 176.117 0.009 0.000 1.089 307 I CA 1.035 62.341 61.300 0.010 0.000 1.410 307 I CB -1.093 36.900 38.000 -0.013 0.000 1.117 307 I HN 0.326 nan 8.210 nan 0.000 0.429 308 K N 1.340 121.753 120.400 0.021 0.000 2.138 308 K HA 0.010 4.330 4.320 0.001 0.000 0.251 308 K C -0.033 176.582 176.600 0.025 0.000 1.015 308 K CA -0.365 55.936 56.287 0.024 0.000 0.917 308 K CB 0.507 33.028 32.500 0.035 0.000 1.021 308 K HN -0.079 nan 8.250 nan 0.000 0.485 309 D N 3.017 123.429 120.400 0.020 0.000 2.453 309 D HA 0.174 4.814 4.640 0.001 0.000 0.223 309 D C -0.748 175.562 176.300 0.017 0.000 1.183 309 D CA -0.184 53.823 54.000 0.012 0.000 0.933 309 D CB -0.440 40.362 40.800 0.004 0.000 1.038 309 D HN 0.389 nan 8.370 nan 0.000 0.513 310 I N -0.575 120.008 120.570 0.021 0.000 2.865 310 I HA 0.593 4.763 4.170 0.001 0.000 0.302 310 I C -0.763 175.363 176.117 0.016 0.000 1.140 310 I CA -1.192 60.123 61.300 0.025 0.000 1.021 310 I CB 2.334 40.362 38.000 0.046 0.000 1.233 310 I HN -0.156 nan 8.210 nan 0.000 0.427 311 R N 3.724 124.226 120.500 0.003 0.000 2.371 311 R HA 0.531 4.872 4.340 0.001 0.000 0.312 311 R C -1.317 174.966 176.300 -0.029 0.000 0.980 311 R CA -0.722 55.370 56.100 -0.013 0.000 0.867 311 R CB 1.362 31.645 30.300 -0.029 0.000 1.163 311 R HN 0.640 nan 8.270 nan 0.000 0.492 312 N N 2.414 121.097 118.700 -0.028 0.000 2.229 312 N HA 0.364 5.104 4.740 0.001 0.000 0.298 312 N C -1.575 173.817 175.510 -0.197 0.000 1.114 312 N CA -0.820 52.128 53.050 -0.171 0.000 0.776 312 N CB 2.611 40.945 38.487 -0.254 0.000 1.501 312 N HN 0.231 nan 8.380 nan 0.000 0.474 313 L N 2.091 123.110 121.223 -0.341 0.000 2.325 313 L HA 0.505 4.845 4.340 0.001 0.000 0.281 313 L C -1.745 174.889 176.870 -0.393 0.000 1.004 313 L CA -0.539 54.171 54.840 -0.216 0.000 0.823 313 L CB 0.407 42.398 42.059 -0.114 0.000 1.236 313 L HN 0.403 nan 8.230 nan 0.000 0.415 314 Y N 4.571 124.874 120.300 0.005 0.000 2.345 314 Y HA 0.595 5.145 4.550 0.001 0.000 0.331 314 Y C -0.253 175.624 175.900 -0.039 0.000 0.959 314 Y CA -0.731 57.357 58.100 -0.020 0.000 1.204 314 Y CB 1.875 40.318 38.460 -0.027 0.000 1.135 314 Y HN 0.308 nan 8.280 nan 0.000 0.477 315 V N 3.750 123.696 119.914 0.053 0.000 2.384 315 V HA 0.603 4.723 4.120 0.001 0.000 0.287 315 V C -0.209 175.861 176.094 -0.040 0.000 1.020 315 V CA -0.611 61.649 62.300 -0.066 0.000 0.850 315 V CB 1.656 33.391 31.823 -0.146 0.000 0.987 315 V HN 0.833 nan 8.190 nan 0.000 0.436 316 T N 1.742 116.217 114.554 -0.131 0.000 2.893 316 T HA 0.797 5.147 4.350 0.001 0.000 0.293 316 T C -1.094 173.544 174.700 -0.103 0.000 1.027 316 T CA -0.541 61.579 62.100 0.032 0.000 0.988 316 T CB 1.600 70.564 68.868 0.160 0.000 1.043 316 T HN 0.141 nan 8.240 nan 0.000 0.461 317 F N 2.640 122.787 119.950 0.327 0.000 2.507 317 F HA 0.573 5.101 4.527 0.001 0.000 0.325 317 F C -2.278 173.714 175.800 0.320 0.000 1.116 317 F CA -2.558 55.613 58.000 0.286 0.000 0.930 317 F CB 2.367 41.519 39.000 0.253 0.000 1.146 317 F HN 0.376 nan 8.300 nan 0.000 0.447 318 P HA 0.382 nan 4.420 nan 0.000 0.280 318 P C -0.901 176.447 177.300 0.080 0.000 1.244 318 P CA -0.005 63.144 63.100 0.083 0.000 0.784 318 P CB 1.483 32.944 31.700 -0.398 0.000 0.913 319 I N -0.469 120.185 120.570 0.140 0.000 3.074 319 I HA 0.663 4.833 4.170 0.001 0.000 0.310 319 I C -3.064 173.160 176.117 0.179 0.000 1.153 319 I CA -3.659 57.734 61.300 0.155 0.000 0.993 319 I CB 2.115 40.241 38.000 0.211 0.000 1.237 319 I HN -0.001 nan 8.210 nan 0.000 0.443 320 P HA 0.081 nan 4.420 nan 0.000 0.272 320 P C -1.129 176.250 177.300 0.133 0.000 1.240 320 P CA -0.045 63.150 63.100 0.157 0.000 0.791 320 P CB 0.391 32.178 31.700 0.145 0.000 0.978 321 D N 1.019 121.476 120.400 0.096 0.000 2.401 321 D HA 0.014 4.655 4.640 0.001 0.000 0.254 321 D C 0.413 176.749 176.300 0.060 0.000 1.192 321 D CA 0.450 54.477 54.000 0.045 0.000 0.885 321 D CB 0.144 40.952 40.800 0.012 0.000 1.147 321 D HN 0.234 nan 8.370 nan 0.000 0.478 322 L N 3.294 124.574 121.223 0.094 0.000 2.667 322 L HA 0.060 4.400 4.340 0.001 0.000 0.232 322 L C 1.912 178.831 176.870 0.082 0.000 1.138 322 L CA -0.233 54.711 54.840 0.174 0.000 0.921 322 L CB 0.005 42.208 42.059 0.240 0.000 1.180 322 L HN 0.366 nan 8.230 nan 0.000 0.487 323 Q N 2.514 122.335 119.800 0.035 0.000 2.112 323 Q HA -0.248 4.092 4.340 0.001 0.000 0.206 323 Q C 2.065 178.145 176.000 0.134 0.000 0.987 323 Q CA 2.242 58.092 55.803 0.079 0.000 0.858 323 Q CB -0.114 28.671 28.738 0.077 0.000 0.905 323 Q HN 0.612 nan 8.270 nan 0.000 0.420 324 K N -1.496 118.870 120.400 -0.057 0.000 2.280 324 K HA -0.162 4.159 4.320 0.001 0.000 0.202 324 K C 0.579 177.119 176.600 -0.099 0.000 1.047 324 K CA 1.346 57.585 56.287 -0.080 0.000 0.942 324 K CB -0.351 31.952 32.500 -0.328 0.000 0.739 324 K HN 0.241 nan 8.250 nan 0.000 0.457 325 Y N 1.239 121.595 120.300 0.094 0.000 2.495 325 Y HA 0.087 4.637 4.550 0.001 0.000 0.293 325 Y C 1.261 177.152 175.900 -0.014 0.000 1.186 325 Y CA -1.364 56.727 58.100 -0.015 0.000 1.266 325 Y CB -1.039 37.409 38.460 -0.020 0.000 1.101 325 Y HN 0.200 nan 8.280 nan 0.000 0.517 326 Y N -0.158 120.252 120.300 0.183 0.000 2.283 326 Y HA -0.285 4.266 4.550 0.001 0.000 0.285 326 Y C 1.668 177.664 175.900 0.160 0.000 1.176 326 Y CA 1.109 59.317 58.100 0.180 0.000 1.229 326 Y CB -0.695 37.932 38.460 0.280 0.000 0.975 326 Y HN -0.023 nan 8.280 nan 0.000 0.537 327 K N 0.469 120.652 120.400 -0.361 0.000 2.155 327 K HA -0.071 4.250 4.320 0.001 0.000 0.203 327 K C 2.178 178.814 176.600 0.060 0.000 1.052 327 K CA 1.532 57.708 56.287 -0.186 0.000 0.948 327 K CB -0.124 32.197 32.500 -0.298 0.000 0.728 327 K HN 0.580 nan 8.250 nan 0.000 0.448 328 S N -0.342 115.401 115.700 0.073 0.000 2.527 328 S HA 0.035 4.506 4.470 0.001 0.000 0.227 328 S C 0.557 175.295 174.600 0.230 0.000 1.059 328 S CA -0.377 57.906 58.200 0.138 0.000 0.919 328 S CB 0.083 63.238 63.200 -0.076 0.000 0.805 328 S HN 0.181 nan 8.310 nan 0.000 0.500 329 N N 2.583 121.385 118.700 0.169 0.000 2.671 329 N HA -0.080 4.661 4.740 0.001 0.000 0.261 329 N C -1.851 173.755 175.510 0.160 0.000 1.053 329 N CA 0.913 54.053 53.050 0.150 0.000 0.732 329 N CB -0.430 38.195 38.487 0.230 0.000 0.887 329 N HN 0.384 nan 8.380 nan 0.000 0.546 330 P HA -0.142 nan 4.420 nan 0.000 0.215 330 P C 1.533 178.953 177.300 0.200 0.000 1.157 330 P CA 1.863 64.999 63.100 0.060 0.000 0.868 330 P CB -0.167 31.469 31.700 -0.106 0.000 0.788 331 G N -0.365 108.533 108.800 0.163 0.000 2.442 331 G HA2 -0.265 3.696 3.960 0.001 0.000 0.219 331 G HA3 -0.265 3.696 3.960 0.001 0.000 0.219 331 G C 1.377 176.533 174.900 0.427 0.000 1.141 331 G CA 0.897 46.173 45.100 0.293 0.000 0.763 331 G HN 0.425 nan 8.290 nan 0.000 0.554 332 H N -2.215 117.032 119.070 0.295 0.000 2.495 332 H HA 0.008 4.565 4.556 0.001 0.000 0.287 332 H C 2.102 177.607 175.328 0.296 0.000 1.033 332 H CA 0.711 56.908 56.048 0.249 0.000 1.307 332 H CB 0.082 29.953 29.762 0.182 0.000 1.401 332 H HN 0.475 nan 8.280 nan 0.000 0.555 333 Y N 1.407 121.907 120.300 0.334 0.000 2.163 333 Y HA -0.167 4.384 4.550 0.001 0.000 0.288 333 Y C 2.001 178.083 175.900 0.304 0.000 1.136 333 Y CA 1.151 59.429 58.100 0.295 0.000 1.147 333 Y CB -0.276 38.337 38.460 0.256 0.000 0.987 333 Y HN 0.046 nan 8.280 nan 0.000 0.509 334 L N -0.408 121.057 121.223 0.404 0.000 2.201 334 L HA -0.090 4.250 4.340 0.001 0.000 0.212 334 L C 2.610 179.715 176.870 0.391 0.000 1.105 334 L CA 1.077 56.100 54.840 0.306 0.000 0.775 334 L CB -0.962 41.224 42.059 0.210 0.000 0.913 334 L HN 0.423 nan 8.230 nan 0.000 0.440 335 G N -1.214 107.854 108.800 0.446 0.000 2.403 335 G HA2 -0.299 3.661 3.960 0.001 0.000 0.216 335 G HA3 -0.299 3.661 3.960 0.001 0.000 0.216 335 G C 1.349 176.359 174.900 0.184 0.000 1.154 335 G CA 0.696 45.970 45.100 0.290 0.000 0.784 335 G HN 0.397 nan 8.290 nan 0.000 0.538 336 H N 0.448 119.577 119.070 0.098 0.000 2.352 336 H HA 0.054 4.610 4.556 0.001 0.000 0.299 336 H C 2.383 177.768 175.328 0.096 0.000 1.097 336 H CA 1.593 57.681 56.048 0.068 0.000 1.311 336 H CB -0.182 29.583 29.762 0.005 0.000 1.377 336 H HN 0.295 nan 8.280 nan 0.000 0.504 337 L N -0.558 120.645 121.223 -0.033 0.000 2.068 337 L HA -0.038 4.303 4.340 0.001 0.000 0.204 337 L C 2.435 179.342 176.870 0.062 0.000 1.076 337 L CA 0.952 55.778 54.840 -0.023 0.000 0.753 337 L CB -0.192 41.851 42.059 -0.025 0.000 0.910 337 L HN 0.299 nan 8.230 nan 0.000 0.439 338 I N -0.183 120.447 120.570 0.101 0.000 2.493 338 I HA -0.143 4.028 4.170 0.001 0.000 0.254 338 I C 2.217 178.240 176.117 -0.157 0.000 1.160 338 I CA 1.234 62.513 61.300 -0.034 0.000 1.445 338 I CB -0.525 37.572 38.000 0.163 0.000 1.086 338 I HN 0.271 nan 8.210 nan 0.000 0.433 339 G N -1.201 107.552 108.800 -0.078 0.000 2.939 339 G HA2 -0.052 3.909 3.960 0.001 0.000 0.210 339 G HA3 -0.052 3.909 3.960 0.001 0.000 0.210 339 G C 0.680 175.454 174.900 -0.210 0.000 1.160 339 G CA -0.218 44.809 45.100 -0.122 0.000 0.770 339 G HN 0.296 nan 8.290 nan 0.000 0.543 340 H N 0.866 119.757 119.070 -0.298 0.000 3.016 340 H HA 0.043 4.599 4.556 0.001 0.000 0.345 340 H C 0.396 175.383 175.328 -0.568 0.000 1.066 340 H CA 1.013 56.832 56.048 -0.382 0.000 1.390 340 H CB 0.815 30.442 29.762 -0.225 0.000 1.344 340 H HN 0.315 nan 8.280 nan 0.000 0.605 341 E N 2.156 121.730 120.200 -1.043 0.000 2.601 341 E HA 0.168 4.518 4.350 0.001 0.000 0.219 341 E C 0.881 177.322 176.600 -0.265 0.000 0.964 341 E CA -0.288 55.699 56.400 -0.689 0.000 1.050 341 E CB 1.014 30.141 29.700 -0.955 0.000 1.068 341 E HN 0.652 nan 8.360 nan 0.000 0.496 342 G N 2.531 111.359 108.800 0.047 0.000 2.621 342 G HA2 0.236 4.196 3.960 0.001 0.000 0.271 342 G HA3 0.236 4.196 3.960 0.001 0.000 0.271 342 G C -2.574 172.451 174.900 0.210 0.000 1.236 342 G CA -1.142 44.122 45.100 0.273 0.000 0.958 342 G HN -0.170 nan 8.290 nan 0.000 0.512 343 P HA 0.165 nan 4.420 nan 0.000 0.262 343 P C 0.891 178.281 177.300 0.149 0.000 1.182 343 P CA 1.726 64.914 63.100 0.146 0.000 0.761 343 P CB 0.852 32.637 31.700 0.141 0.000 0.795 344 G N 1.706 110.598 108.800 0.154 0.000 2.195 344 G HA2 -0.240 3.720 3.960 0.001 0.000 0.246 344 G HA3 -0.240 3.720 3.960 0.001 0.000 0.246 344 G C 0.414 175.502 174.900 0.314 0.000 0.984 344 G CA 0.270 45.497 45.100 0.213 0.000 0.633 344 G HN 0.785 nan 8.290 nan 0.000 0.525 345 S N -0.146 115.675 115.700 0.202 0.000 2.614 345 S HA 0.619 5.090 4.470 0.001 0.000 0.265 345 S C 1.507 176.134 174.600 0.044 0.000 1.303 345 S CA 0.119 58.359 58.200 0.067 0.000 1.000 345 S CB 1.699 64.878 63.200 -0.035 0.000 0.935 345 S HN 1.131 nan 8.310 nan 0.000 0.551 346 L N 1.288 122.252 121.223 -0.431 0.000 2.042 346 L HA -0.027 4.313 4.340 0.001 0.000 0.210 346 L C 2.196 179.040 176.870 -0.044 0.000 1.076 346 L CA 1.598 56.226 54.840 -0.353 0.000 0.749 346 L CB -0.949 40.662 42.059 -0.746 0.000 0.893 346 L HN 0.886 nan 8.230 nan 0.000 0.432 347 L N -1.350 119.792 121.223 -0.134 0.000 2.012 347 L HA -0.261 4.079 4.340 0.001 0.000 0.210 347 L C 2.477 179.331 176.870 -0.027 0.000 1.073 347 L CA 1.952 56.739 54.840 -0.088 0.000 0.748 347 L CB -0.433 41.537 42.059 -0.148 0.000 0.891 347 L HN 0.370 nan 8.230 nan 0.000 0.431 348 S N -0.230 115.469 115.700 -0.001 0.000 2.365 348 S HA -0.277 4.194 4.470 0.001 0.000 0.225 348 S C 1.714 176.319 174.600 0.008 0.000 1.039 348 S CA 1.917 60.128 58.200 0.018 0.000 1.033 348 S CB -0.243 62.990 63.200 0.056 0.000 0.887 348 S HN 0.458 nan 8.310 nan 0.000 0.447 349 E N 1.005 121.247 120.200 0.070 0.000 2.047 349 E HA -0.053 4.297 4.350 0.001 0.000 0.191 349 E C 1.868 178.389 176.600 -0.132 0.000 0.987 349 E CA 0.763 57.147 56.400 -0.025 0.000 0.799 349 E CB -0.472 29.239 29.700 0.019 0.000 0.752 349 E HN 0.228 nan 8.360 nan 0.000 0.449 350 L N 0.908 122.107 121.223 -0.040 0.000 2.079 350 L HA -0.127 4.213 4.340 0.001 0.000 0.210 350 L C 2.318 179.123 176.870 -0.108 0.000 1.081 350 L CA 1.797 56.598 54.840 -0.064 0.000 0.752 350 L CB -0.634 41.457 42.059 0.053 0.000 0.896 350 L HN 0.121 nan 8.230 nan 0.000 0.433 351 K N -1.468 118.883 120.400 -0.081 0.000 2.076 351 K HA -0.072 4.249 4.320 0.001 0.000 0.204 351 K C 2.212 178.736 176.600 -0.127 0.000 1.051 351 K CA 1.114 57.357 56.287 -0.074 0.000 0.949 351 K CB 0.058 32.532 32.500 -0.044 0.000 0.726 351 K HN 0.158 nan 8.250 nan 0.000 0.443 352 S N 1.016 116.624 115.700 -0.152 0.000 2.368 352 S HA -0.096 4.375 4.470 0.001 0.000 0.225 352 S C 1.430 175.860 174.600 -0.283 0.000 1.030 352 S CA 1.242 59.338 58.200 -0.173 0.000 0.999 352 S CB -0.091 63.017 63.200 -0.153 0.000 0.844 352 S HN 0.298 nan 8.310 nan 0.000 0.459 353 K N 0.466 120.576 120.400 -0.483 0.000 2.555 353 K HA 0.067 4.387 4.320 0.001 0.000 0.193 353 K C 1.135 177.299 176.600 -0.725 0.000 1.032 353 K CA 0.473 56.266 56.287 -0.824 0.000 1.004 353 K CB -0.230 31.285 32.500 -1.641 0.000 0.804 353 K HN 0.462 nan 8.250 nan 0.000 0.496 354 G N 0.869 109.451 108.800 -0.364 0.000 2.221 354 G HA2 -0.184 3.777 3.960 0.001 0.000 0.265 354 G HA3 -0.184 3.777 3.960 0.001 0.000 0.265 354 G C 0.131 175.074 174.900 0.071 0.000 1.041 354 G CA 0.095 45.119 45.100 -0.127 0.000 0.807 354 G HN 0.331 nan 8.290 nan 0.000 0.502 355 W N -1.303 119.952 121.300 -0.076 0.000 2.907 355 W HA 0.563 5.224 4.660 0.001 0.000 0.271 355 W C 0.760 177.251 176.519 -0.047 0.000 1.253 355 W CA 0.013 57.321 57.345 -0.062 0.000 1.501 355 W CB 0.199 29.613 29.460 -0.078 0.000 1.047 355 W HN 0.228 nan 8.180 nan 0.000 0.610 356 V N 0.833 120.843 119.914 0.161 0.000 3.188 356 V HA 0.308 4.428 4.120 0.001 0.000 0.305 356 V C 0.227 176.335 176.094 0.024 0.000 1.232 356 V CA -0.643 61.700 62.300 0.072 0.000 1.043 356 V CB 2.390 34.246 31.823 0.055 0.000 1.068 356 V HN -0.204 nan 8.190 nan 0.000 0.439 357 N N 0.273 118.974 118.700 0.002 0.000 2.557 357 N HA 0.119 4.860 4.740 0.001 0.000 0.217 357 N C 0.354 175.846 175.510 -0.031 0.000 1.062 357 N CA 0.912 53.957 53.050 -0.009 0.000 0.863 357 N CB 1.086 39.572 38.487 -0.001 0.000 1.390 357 N HN 0.874 nan 8.380 nan 0.000 0.445 358 T N -0.562 113.969 114.554 -0.039 0.000 2.916 358 T HA 0.631 4.981 4.350 0.001 0.000 0.292 358 T C -0.872 173.782 174.700 -0.076 0.000 1.055 358 T CA -0.711 61.353 62.100 -0.059 0.000 1.009 358 T CB 2.594 71.432 68.868 -0.050 0.000 1.118 358 T HN -0.101 nan 8.240 nan 0.000 0.497 359 L N 1.706 122.871 121.223 -0.096 0.000 2.445 359 L HA 0.798 5.139 4.340 0.001 0.000 0.262 359 L C -1.733 175.075 176.870 -0.103 0.000 0.974 359 L CA -0.923 53.853 54.840 -0.107 0.000 0.822 359 L CB 2.034 44.016 42.059 -0.128 0.000 1.339 359 L HN 0.766 nan 8.230 nan 0.000 0.409 360 V N 3.416 123.276 119.914 -0.090 0.000 2.569 360 V HA 0.854 4.974 4.120 0.001 0.000 0.301 360 V C 0.220 176.266 176.094 -0.080 0.000 1.044 360 V CA -0.311 61.943 62.300 -0.076 0.000 0.874 360 V CB 1.684 33.476 31.823 -0.052 0.000 1.002 360 V HN 0.972 nan 8.190 nan 0.000 0.424 361 G N 1.833 110.578 108.800 -0.092 0.000 2.574 361 G HA2 0.924 4.885 3.960 0.001 0.000 0.299 361 G HA3 0.924 4.885 3.960 0.001 0.000 0.299 361 G C -0.278 174.498 174.900 -0.207 0.000 1.298 361 G CA -0.158 44.868 45.100 -0.124 0.000 0.952 361 G HN 1.438 nan 8.290 nan 0.000 0.477 362 G N -0.641 107.819 108.800 -0.567 0.000 2.346 362 G HA2 0.456 4.416 3.960 0.001 0.000 0.294 362 G HA3 0.456 4.416 3.960 0.001 0.000 0.294 362 G C -0.687 173.723 174.900 -0.817 0.000 1.294 362 G CA -0.159 44.593 45.100 -0.580 0.000 0.962 362 G HN 1.183 nan 8.290 nan 0.000 0.508 363 Q N -0.390 119.289 119.800 -0.201 0.000 2.259 363 Q HA 0.701 5.042 4.340 0.001 0.000 0.246 363 Q C -0.334 175.715 176.000 0.081 0.000 0.920 363 Q CA -0.560 55.252 55.803 0.015 0.000 0.895 363 Q CB 1.994 30.873 28.738 0.235 0.000 1.220 363 Q HN 0.602 nan 8.270 nan 0.000 0.439 364 K N 2.029 122.528 120.400 0.166 0.000 2.345 364 K HA 0.159 4.480 4.320 0.001 0.000 0.255 364 K C -0.662 176.111 176.600 0.288 0.000 0.934 364 K CA -0.606 55.795 56.287 0.191 0.000 0.801 364 K CB 1.392 33.995 32.500 0.171 0.000 1.137 364 K HN 0.820 nan 8.250 nan 0.000 0.424 365 E N 2.258 122.572 120.200 0.189 0.000 2.422 365 E HA 0.184 4.535 4.350 0.001 0.000 0.260 365 E C 0.116 176.854 176.600 0.229 0.000 1.108 365 E CA -0.267 56.218 56.400 0.141 0.000 0.943 365 E CB 0.904 30.648 29.700 0.073 0.000 0.961 365 E HN 0.729 nan 8.360 nan 0.000 0.443 366 G N 0.683 109.472 108.800 -0.019 0.000 2.508 366 G HA2 0.564 4.525 3.960 0.001 0.000 0.167 366 G HA3 0.564 4.525 3.960 0.001 0.000 0.167 366 G C -0.503 174.065 174.900 -0.553 0.000 1.534 366 G CA 0.222 45.192 45.100 -0.218 0.000 0.707 366 G HN 0.910 nan 8.290 nan 0.000 0.717 367 A N -1.009 121.200 122.820 -1.019 0.000 2.540 367 A HA 0.652 4.973 4.320 0.001 0.000 0.291 367 A C -1.066 176.372 177.584 -0.243 0.000 1.083 367 A CA -0.721 51.041 52.037 -0.459 0.000 0.650 367 A CB 0.426 19.188 19.000 -0.396 0.000 1.292 367 A HN 0.242 nan 8.150 nan 0.000 0.435 368 R N 0.354 120.936 120.500 0.136 0.000 2.549 368 R HA 0.299 4.639 4.340 0.001 0.000 0.336 368 R C 1.271 177.660 176.300 0.147 0.000 0.891 368 R CA 1.665 57.841 56.100 0.126 0.000 1.102 368 R CB -0.601 29.749 30.300 0.082 0.000 0.899 368 R HN 2.078 nan 8.270 nan 0.000 0.407 369 G N 2.441 111.283 108.800 0.069 0.000 2.307 369 G HA2 -0.253 3.708 3.960 0.001 0.000 0.210 369 G HA3 -0.253 3.708 3.960 0.001 0.000 0.210 369 G C -0.215 174.792 174.900 0.177 0.000 1.005 369 G CA 0.059 45.247 45.100 0.145 0.000 0.634 369 G HN 0.613 nan 8.290 nan 0.000 0.496 370 F N -0.529 119.376 119.950 -0.074 0.000 2.619 370 F HA 0.904 5.431 4.527 0.001 0.000 0.308 370 F C -0.625 174.954 175.800 -0.367 0.000 1.097 370 F CA -1.617 56.219 58.000 -0.274 0.000 0.953 370 F CB 1.175 39.773 39.000 -0.671 0.000 1.287 370 F HN 0.158 nan 8.300 nan 0.000 0.446 371 M N 1.826 121.288 119.600 -0.230 0.000 2.779 371 M HA 0.673 5.153 4.480 0.001 0.000 0.277 371 M C -1.835 174.249 176.300 -0.360 0.000 1.284 371 M CA -0.643 54.491 55.300 -0.277 0.000 0.801 371 M CB 2.999 35.601 32.600 0.003 0.000 1.712 371 M HN 0.641 nan 8.290 nan 0.000 0.453 372 F N -0.211 119.896 119.950 0.262 0.000 2.603 372 F HA 0.661 5.189 4.527 0.001 0.000 0.317 372 F C -1.080 174.912 175.800 0.321 0.000 1.066 372 F CA -0.810 57.387 58.000 0.327 0.000 0.941 372 F CB 1.368 40.534 39.000 0.277 0.000 1.291 372 F HN 0.277 nan 8.300 nan 0.000 0.472 373 F N 3.810 124.034 119.950 0.457 0.000 2.493 373 F HA 0.760 5.288 4.527 0.001 0.000 0.329 373 F C -0.710 175.327 175.800 0.395 0.000 1.126 373 F CA -1.121 57.092 58.000 0.354 0.000 0.937 373 F CB 1.082 40.244 39.000 0.271 0.000 1.146 373 F HN 0.420 nan 8.300 nan 0.000 0.442 374 I N 3.988 124.513 120.570 -0.074 0.000 2.846 374 I HA 0.689 4.859 4.170 0.001 0.000 0.307 374 I C -1.452 174.673 176.117 0.013 0.000 1.053 374 I CA -1.039 60.309 61.300 0.081 0.000 1.050 374 I CB 2.612 40.641 38.000 0.048 0.000 1.239 374 I HN 0.500 nan 8.210 nan 0.000 0.439 375 I N 3.705 124.333 120.570 0.097 0.000 2.560 375 I HA 0.331 4.502 4.170 0.001 0.000 0.278 375 I C -1.163 174.947 176.117 -0.011 0.000 1.089 375 I CA -0.389 60.936 61.300 0.042 0.000 1.086 375 I CB 1.187 39.240 38.000 0.089 0.000 1.202 375 I HN 0.567 nan 8.210 nan 0.000 0.471 376 N N 4.601 123.276 118.700 -0.043 0.000 2.466 376 N HA 0.708 5.448 4.740 0.001 0.000 0.294 376 N C -0.941 174.467 175.510 -0.170 0.000 1.129 376 N CA -0.559 52.412 53.050 -0.130 0.000 0.931 376 N CB 3.213 41.656 38.487 -0.074 0.000 1.193 376 N HN 0.200 nan 8.380 nan 0.000 0.500 377 V N 0.656 120.418 119.914 -0.253 0.000 2.969 377 V HA 0.193 4.313 4.120 0.001 0.000 0.304 377 V C -1.469 174.509 176.094 -0.193 0.000 1.192 377 V CA -0.896 61.302 62.300 -0.171 0.000 0.962 377 V CB 2.445 34.203 31.823 -0.110 0.000 1.045 377 V HN 0.822 nan 8.190 nan 0.000 0.428 378 D N 5.368 125.696 120.400 -0.120 0.000 2.210 378 D HA 0.404 5.045 4.640 0.001 0.000 0.249 378 D C -0.685 175.585 176.300 -0.050 0.000 1.062 378 D CA -0.264 53.680 54.000 -0.093 0.000 0.891 378 D CB 1.808 42.576 40.800 -0.052 0.000 1.186 378 D HN 0.405 nan 8.370 nan 0.000 0.432 379 L N 1.144 122.343 121.223 -0.040 0.000 2.322 379 L HA 0.325 4.665 4.340 0.001 0.000 0.279 379 L C 1.094 177.971 176.870 0.012 0.000 1.036 379 L CA -0.763 54.072 54.840 -0.008 0.000 0.807 379 L CB 1.897 43.943 42.059 -0.023 0.000 1.226 379 L HN 0.435 nan 8.230 nan 0.000 0.433 380 T N -0.087 114.494 114.554 0.045 0.000 2.824 380 T HA 0.116 4.466 4.350 0.001 0.000 0.277 380 T C 1.102 175.830 174.700 0.046 0.000 0.975 380 T CA -0.325 61.807 62.100 0.054 0.000 0.966 380 T CB 0.982 69.907 68.868 0.096 0.000 1.054 380 T HN 0.690 nan 8.240 nan 0.000 0.533 381 E N 0.410 120.635 120.200 0.042 0.000 2.085 381 E HA -0.144 4.206 4.350 0.001 0.000 0.194 381 E C 2.000 178.635 176.600 0.059 0.000 0.994 381 E CA 1.043 57.462 56.400 0.032 0.000 0.801 381 E CB 0.116 29.832 29.700 0.027 0.000 0.743 381 E HN 0.502 nan 8.360 nan 0.000 0.453 382 E N -0.033 120.234 120.200 0.112 0.000 2.072 382 E HA -0.100 4.250 4.350 0.001 0.000 0.190 382 E C 2.237 178.918 176.600 0.135 0.000 0.982 382 E CA 0.937 57.446 56.400 0.181 0.000 0.803 382 E CB -0.509 29.346 29.700 0.257 0.000 0.755 382 E HN 0.331 nan 8.360 nan 0.000 0.453 383 G N 1.579 110.442 108.800 0.105 0.000 2.475 383 G HA2 -0.264 3.696 3.960 0.001 0.000 0.220 383 G HA3 -0.264 3.696 3.960 0.001 0.000 0.220 383 G C 1.604 176.449 174.900 -0.092 0.000 1.125 383 G CA 0.866 45.928 45.100 -0.063 0.000 0.755 383 G HN 0.241 nan 8.290 nan 0.000 0.565 384 L N 0.025 121.230 121.223 -0.030 0.000 2.201 384 L HA 0.183 4.524 4.340 0.001 0.000 0.212 384 L C 2.347 179.183 176.870 -0.056 0.000 1.105 384 L CA 1.220 56.034 54.840 -0.044 0.000 0.775 384 L CB -0.099 41.927 42.059 -0.055 0.000 0.913 384 L HN 0.221 nan 8.230 nan 0.000 0.440 385 L N -1.842 119.351 121.223 -0.050 0.000 2.529 385 L HA 0.033 4.373 4.340 0.001 0.000 0.223 385 L C 0.608 177.282 176.870 -0.327 0.000 1.113 385 L CA 0.109 54.876 54.840 -0.122 0.000 0.861 385 L CB -0.239 41.777 42.059 -0.072 0.000 1.012 385 L HN 0.278 nan 8.230 nan 0.000 0.461 386 H N -1.858 117.009 119.070 -0.338 0.000 2.467 386 H HA 0.163 4.720 4.556 0.001 0.000 0.275 386 H C 1.436 176.486 175.328 -0.463 0.000 1.131 386 H CA -0.215 55.509 56.048 -0.540 0.000 0.989 386 H CB 0.415 29.434 29.762 -1.237 0.000 1.696 386 H HN -0.132 nan 8.280 nan 0.000 0.574 387 V N 0.020 119.846 119.914 -0.147 0.000 2.332 387 V HA -0.264 3.857 4.120 0.001 0.000 0.248 387 V C 2.360 178.501 176.094 0.078 0.000 1.055 387 V CA 2.076 64.354 62.300 -0.037 0.000 1.038 387 V CB -0.066 31.782 31.823 0.041 0.000 0.651 387 V HN 0.615 nan 8.190 nan 0.000 0.450 388 E N -0.348 119.929 120.200 0.127 0.000 2.153 388 E HA -0.241 4.110 4.350 0.001 0.000 0.194 388 E C 1.834 178.656 176.600 0.371 0.000 0.988 388 E CA 1.333 57.933 56.400 0.333 0.000 0.811 388 E CB -0.011 29.798 29.700 0.183 0.000 0.746 388 E HN 0.628 nan 8.360 nan 0.000 0.466 389 D N 0.163 120.658 120.400 0.160 0.000 2.149 389 D HA -0.090 4.551 4.640 0.001 0.000 0.201 389 D C 2.044 178.569 176.300 0.376 0.000 0.972 389 D CA 0.612 54.771 54.000 0.264 0.000 0.835 389 D CB -0.042 40.821 40.800 0.104 0.000 0.966 389 D HN 0.278 nan 8.370 nan 0.000 0.476 390 I N 1.012 121.628 120.570 0.076 0.000 2.179 390 I HA -0.238 3.932 4.170 0.001 0.000 0.242 390 I C 2.455 178.679 176.117 0.178 0.000 1.088 390 I CA 0.861 62.258 61.300 0.163 0.000 1.357 390 I CB -0.138 37.874 38.000 0.020 0.000 1.051 390 I HN -0.067 nan 8.210 nan 0.000 0.409 391 I N 0.159 120.771 120.570 0.071 0.000 2.286 391 I HA -0.292 3.879 4.170 0.001 0.000 0.248 391 I C 2.529 178.570 176.117 -0.126 0.000 1.115 391 I CA 1.030 62.216 61.300 -0.191 0.000 1.392 391 I CB -0.292 37.442 38.000 -0.443 0.000 1.065 391 I HN 0.263 nan 8.210 nan 0.000 0.418 392 L N 0.715 122.078 121.223 0.234 0.000 2.012 392 L HA -0.278 4.063 4.340 0.001 0.000 0.210 392 L C 2.434 179.500 176.870 0.328 0.000 1.073 392 L CA 2.170 57.251 54.840 0.401 0.000 0.748 392 L CB -0.892 41.464 42.059 0.496 0.000 0.891 392 L HN 0.202 nan 8.230 nan 0.000 0.431 393 H N -1.243 118.015 119.070 0.312 0.000 2.387 393 H HA -0.115 4.441 4.556 0.001 0.000 0.299 393 H C 2.183 177.644 175.328 0.222 0.000 1.090 393 H CA 2.183 58.471 56.048 0.401 0.000 1.332 393 H CB -0.266 29.791 29.762 0.493 0.000 1.386 393 H HN 0.341 nan 8.280 nan 0.000 0.516 394 M N -0.818 118.865 119.600 0.139 0.000 2.065 394 M HA -0.185 4.296 4.480 0.001 0.000 0.259 394 M C 1.555 177.794 176.300 -0.102 0.000 1.069 394 M CA 1.733 56.970 55.300 -0.105 0.000 1.110 394 M CB -0.372 32.032 32.600 -0.325 0.000 1.328 394 M HN 0.221 nan 8.290 nan 0.000 0.405 395 F N 0.213 120.193 119.950 0.051 0.000 2.293 395 F HA -0.197 4.330 4.527 0.001 0.000 0.300 395 F C 2.577 178.429 175.800 0.086 0.000 1.086 395 F CA 0.935 58.969 58.000 0.056 0.000 1.375 395 F CB -0.304 38.723 39.000 0.045 0.000 1.045 395 F HN 0.238 nan 8.300 nan 0.000 0.516 396 Q N -0.908 119.073 119.800 0.301 0.000 2.079 396 Q HA -0.240 4.100 4.340 0.001 0.000 0.200 396 Q C 1.951 178.075 176.000 0.206 0.000 0.974 396 Q CA 1.709 57.678 55.803 0.276 0.000 0.840 396 Q CB -0.460 28.494 28.738 0.360 0.000 0.898 396 Q HN 0.532 nan 8.270 nan 0.000 0.430 397 Y N 1.082 121.330 120.300 -0.086 0.000 2.242 397 Y HA -0.160 4.390 4.550 0.001 0.000 0.291 397 Y C 1.884 177.710 175.900 -0.124 0.000 1.137 397 Y CA 1.137 59.036 58.100 -0.335 0.000 1.181 397 Y CB 0.003 38.012 38.460 -0.751 0.000 0.989 397 Y HN 0.009 nan 8.280 nan 0.000 0.527 398 I N -0.062 120.534 120.570 0.043 0.000 2.286 398 I HA -0.297 3.874 4.170 0.001 0.000 0.248 398 I C 2.316 178.418 176.117 -0.024 0.000 1.115 398 I CA 1.574 62.878 61.300 0.008 0.000 1.392 398 I CB -0.332 37.703 38.000 0.058 0.000 1.065 398 I HN 0.254 nan 8.210 nan 0.000 0.418 399 Q N 1.557 121.379 119.800 0.035 0.000 2.119 399 Q HA -0.242 4.099 4.340 0.001 0.000 0.201 399 Q C 1.981 177.972 176.000 -0.016 0.000 0.972 399 Q CA 1.699 57.522 55.803 0.033 0.000 0.847 399 Q CB -0.170 28.619 28.738 0.084 0.000 0.903 399 Q HN 0.196 nan 8.270 nan 0.000 0.433 400 K N -0.250 120.111 120.400 -0.064 0.000 2.147 400 K HA -0.050 4.270 4.320 0.001 0.000 0.205 400 K C 1.685 178.201 176.600 -0.141 0.000 1.049 400 K CA 1.213 57.442 56.287 -0.097 0.000 0.936 400 K CB -0.332 32.078 32.500 -0.149 0.000 0.722 400 K HN 0.363 nan 8.250 nan 0.000 0.446 401 L N -0.115 120.989 121.223 -0.199 0.000 2.072 401 L HA -0.030 4.310 4.340 0.001 0.000 0.205 401 L C 2.557 179.405 176.870 -0.036 0.000 1.079 401 L CA 1.048 55.812 54.840 -0.126 0.000 0.752 401 L CB -0.332 41.654 42.059 -0.122 0.000 0.906 401 L HN 0.157 nan 8.230 nan 0.000 0.436 402 R N 0.119 120.598 120.500 -0.036 0.000 2.081 402 R HA -0.124 4.217 4.340 0.001 0.000 0.235 402 R C 2.334 178.631 176.300 -0.005 0.000 1.131 402 R CA 1.408 57.498 56.100 -0.017 0.000 0.960 402 R CB -0.406 29.885 30.300 -0.015 0.000 0.856 402 R HN 0.322 nan 8.270 nan 0.000 0.436 403 A N 0.473 123.291 122.820 -0.004 0.000 2.067 403 A HA -0.139 4.182 4.320 0.001 0.000 0.219 403 A C 1.786 179.380 177.584 0.018 0.000 1.158 403 A CA 1.232 53.274 52.037 0.008 0.000 0.661 403 A CB -0.047 18.960 19.000 0.012 0.000 0.801 403 A HN 0.169 nan 8.150 nan 0.000 0.452 404 E N -1.230 118.981 120.200 0.019 0.000 2.415 404 E HA 0.350 4.701 4.350 0.001 0.000 0.197 404 E C 0.902 177.541 176.600 0.065 0.000 1.007 404 E CA 0.791 57.218 56.400 0.045 0.000 0.890 404 E CB 0.120 29.849 29.700 0.048 0.000 0.891 404 E HN 0.742 nan 8.360 nan 0.000 0.496 405 G N 1.686 110.516 108.800 0.051 0.000 2.825 405 G HA2 -0.200 3.761 3.960 0.001 0.000 0.684 405 G HA3 -0.200 3.761 3.960 0.001 0.000 0.684 405 G C -2.350 172.616 174.900 0.110 0.000 1.528 405 G CA -0.413 44.721 45.100 0.057 0.000 0.963 405 G HN 0.108 nan 8.290 nan 0.000 0.577 406 P HA 0.082 nan 4.420 nan 0.000 0.265 406 P C -0.608 176.858 177.300 0.278 0.000 1.187 406 P CA 0.505 63.705 63.100 0.166 0.000 0.766 406 P CB 0.630 32.310 31.700 -0.033 0.000 0.820 407 Q N 2.099 122.091 119.800 0.320 0.000 2.372 407 Q HA 0.128 4.468 4.340 0.001 0.000 0.259 407 Q C 1.001 176.880 176.000 -0.203 0.000 0.993 407 Q CA -0.263 55.618 55.803 0.129 0.000 0.854 407 Q CB 1.727 30.491 28.738 0.044 0.000 1.231 407 Q HN 0.597 nan 8.270 nan 0.000 0.462 408 E N 4.309 124.244 120.200 -0.441 0.000 2.150 408 E HA -0.143 4.208 4.350 0.001 0.000 0.193 408 E C 1.348 177.738 176.600 -0.349 0.000 0.985 408 E CA 1.247 57.056 56.400 -0.985 0.000 0.814 408 E CB 0.132 29.384 29.700 -0.746 0.000 0.752 408 E HN 0.765 nan 8.360 nan 0.000 0.466 409 W N 0.271 121.496 121.300 -0.125 0.000 2.374 409 W HA -0.115 4.545 4.660 0.001 0.000 0.288 409 W C 1.384 177.915 176.519 0.021 0.000 1.218 409 W CA 0.541 57.866 57.345 -0.033 0.000 1.245 409 W CB -0.916 28.541 29.460 -0.004 0.000 1.126 409 W HN -0.075 nan 8.180 nan 0.000 0.545 410 V N 1.780 121.045 119.914 -1.082 0.000 2.270 410 V HA -0.314 3.806 4.120 0.001 0.000 0.245 410 V C 2.390 178.306 176.094 -0.297 0.000 1.043 410 V CA 2.482 64.221 62.300 -0.936 0.000 1.014 410 V CB -1.383 29.994 31.823 -0.744 0.000 0.645 410 V HN 0.154 nan 8.190 nan 0.000 0.447 411 F N 0.968 120.777 119.950 -0.235 0.000 2.126 411 F HA -0.282 4.246 4.527 0.001 0.000 0.299 411 F C 2.512 178.244 175.800 -0.114 0.000 1.096 411 F CA 2.349 60.296 58.000 -0.089 0.000 1.255 411 F CB -0.273 38.651 39.000 -0.126 0.000 0.997 411 F HN 0.150 nan 8.300 nan 0.000 0.479 412 Q N 0.854 120.622 119.800 -0.054 0.000 2.124 412 Q HA -0.222 4.119 4.340 0.001 0.000 0.202 412 Q C 2.222 178.162 176.000 -0.100 0.000 0.977 412 Q CA 2.132 57.895 55.803 -0.066 0.000 0.850 412 Q CB -0.501 28.271 28.738 0.058 0.000 0.901 412 Q HN 0.661 nan 8.270 nan 0.000 0.429 413 E N -1.238 118.925 120.200 -0.061 0.000 2.051 413 E HA -0.188 4.163 4.350 0.001 0.000 0.192 413 E C 1.873 178.411 176.600 -0.103 0.000 0.991 413 E CA 1.433 57.823 56.400 -0.016 0.000 0.799 413 E CB -0.115 29.618 29.700 0.054 0.000 0.748 413 E HN 0.501 nan 8.360 nan 0.000 0.449 414 C N 0.838 120.003 119.300 -0.225 0.000 2.429 414 C HA -0.095 4.366 4.460 0.001 0.000 0.277 414 C C 2.618 177.462 174.990 -0.243 0.000 1.262 414 C CA 0.940 59.800 59.018 -0.263 0.000 1.733 414 C CB -0.802 26.713 27.740 -0.376 0.000 2.010 414 C HN 0.487 nan 8.230 nan 0.000 0.483 415 K N 1.031 121.211 120.400 -0.367 0.000 2.009 415 K HA -0.201 4.119 4.320 0.001 0.000 0.210 415 K C 1.621 178.139 176.600 -0.137 0.000 1.049 415 K CA 2.039 58.133 56.287 -0.321 0.000 0.929 415 K CB -0.299 31.941 32.500 -0.434 0.000 0.714 415 K HN 0.414 nan 8.250 nan 0.000 0.440 416 D N 0.617 120.962 120.400 -0.093 0.000 2.144 416 D HA -0.157 4.484 4.640 0.001 0.000 0.199 416 D C 1.944 178.248 176.300 0.007 0.000 0.984 416 D CA 0.779 54.765 54.000 -0.023 0.000 0.834 416 D CB -0.037 40.769 40.800 0.010 0.000 0.955 416 D HN 0.137 nan 8.370 nan 0.000 0.465 417 L N 1.421 122.648 121.223 0.007 0.000 2.027 417 L HA -0.111 4.230 4.340 0.001 0.000 0.206 417 L C 1.846 178.766 176.870 0.084 0.000 1.074 417 L CA 1.437 56.311 54.840 0.057 0.000 0.745 417 L CB -1.063 41.020 42.059 0.040 0.000 0.898 417 L HN -0.048 nan 8.230 nan 0.000 0.433 418 N N -0.267 118.460 118.700 0.045 0.000 2.166 418 N HA -0.116 4.624 4.740 0.001 0.000 0.186 418 N C 1.823 177.437 175.510 0.173 0.000 1.019 418 N CA 1.385 54.507 53.050 0.120 0.000 0.856 418 N CB -0.314 38.203 38.487 0.050 0.000 0.993 418 N HN 0.374 nan 8.380 nan 0.000 0.426 419 A N 0.523 123.385 122.820 0.070 0.000 1.877 419 A HA -0.080 4.240 4.320 0.001 0.000 0.216 419 A C 2.470 180.060 177.584 0.011 0.000 1.186 419 A CA 1.345 53.408 52.037 0.044 0.000 0.620 419 A CB -0.811 18.181 19.000 -0.013 0.000 0.822 419 A HN 0.099 nan 8.150 nan 0.000 0.443 420 V N -0.109 119.805 119.914 -0.001 0.000 2.295 420 V HA -0.245 3.876 4.120 0.001 0.000 0.246 420 V C 3.070 179.212 176.094 0.080 0.000 1.049 420 V CA 1.950 64.213 62.300 -0.061 0.000 1.024 420 V CB -1.321 30.500 31.823 -0.002 0.000 0.648 420 V HN 0.630 nan 8.190 nan 0.000 0.447 421 A N -0.130 122.833 122.820 0.239 0.000 1.851 421 A HA -0.290 4.030 4.320 0.001 0.000 0.216 421 A C 2.138 179.829 177.584 0.180 0.000 1.195 421 A CA 2.260 54.495 52.037 0.330 0.000 0.622 421 A CB -0.918 18.311 19.000 0.383 0.000 0.831 421 A HN 0.527 nan 8.150 nan 0.000 0.444 422 F N 0.616 120.550 119.950 -0.028 0.000 2.192 422 F HA -0.209 4.319 4.527 0.001 0.000 0.301 422 F C 2.316 177.899 175.800 -0.362 0.000 1.079 422 F CA 2.096 59.817 58.000 -0.465 0.000 1.303 422 F CB -0.227 38.481 39.000 -0.487 0.000 1.024 422 F HN 0.235 nan 8.300 nan 0.000 0.494 423 R N -0.429 119.822 120.500 -0.416 0.000 2.055 423 R HA -0.118 4.222 4.340 0.001 0.000 0.228 423 R C 1.568 177.467 176.300 -0.669 0.000 1.143 423 R CA 1.808 57.494 56.100 -0.689 0.000 0.945 423 R CB -0.633 29.123 30.300 -0.906 0.000 0.841 423 R HN 0.344 nan 8.270 nan 0.000 0.429 424 F N 1.677 121.542 119.950 -0.141 0.000 2.663 424 F HA 0.215 4.742 4.527 0.001 0.000 0.299 424 F C 0.504 176.256 175.800 -0.080 0.000 1.143 424 F CA -0.463 57.500 58.000 -0.061 0.000 1.387 424 F CB 0.068 39.122 39.000 0.089 0.000 1.019 424 F HN -0.066 nan 8.300 nan 0.000 0.523 425 K N 1.541 121.892 120.400 -0.081 0.000 2.527 425 K HA -0.053 4.267 4.320 0.001 0.000 0.278 425 K C -0.073 176.458 176.600 -0.115 0.000 0.981 425 K CA -0.175 56.045 56.287 -0.112 0.000 1.009 425 K CB 0.415 32.741 32.500 -0.290 0.000 0.895 425 K HN 0.011 nan 8.250 nan 0.000 0.493 426 D N 2.984 123.314 120.400 -0.117 0.000 2.362 426 D HA 0.020 4.661 4.640 0.001 0.000 0.242 426 D C -0.256 175.930 176.300 -0.190 0.000 1.132 426 D CA 0.067 53.965 54.000 -0.169 0.000 0.907 426 D CB 0.906 41.583 40.800 -0.205 0.000 1.195 426 D HN 0.386 nan 8.370 nan 0.000 0.429 427 K N 1.574 121.857 120.400 -0.194 0.000 2.379 427 K HA 0.049 4.369 4.320 0.001 0.000 0.284 427 K C -0.305 176.152 176.600 -0.239 0.000 1.044 427 K CA -0.316 55.849 56.287 -0.203 0.000 0.974 427 K CB 0.463 32.896 32.500 -0.113 0.000 0.962 427 K HN 0.192 nan 8.250 nan 0.000 0.474 428 E N 2.671 122.659 120.200 -0.353 0.000 2.371 428 E HA 0.147 4.498 4.350 0.001 0.000 0.257 428 E C -0.493 175.980 176.600 -0.211 0.000 1.134 428 E CA -0.287 55.925 56.400 -0.314 0.000 0.919 428 E CB 0.590 30.003 29.700 -0.479 0.000 1.025 428 E HN 0.392 nan 8.360 nan 0.000 0.438 429 R N 2.320 122.753 120.500 -0.111 0.000 2.340 429 R HA 0.097 4.438 4.340 0.001 0.000 0.300 429 R C -1.685 174.614 176.300 -0.001 0.000 1.069 429 R CA -1.351 54.720 56.100 -0.048 0.000 0.984 429 R CB 0.161 30.446 30.300 -0.025 0.000 1.003 429 R HN 0.429 nan 8.270 nan 0.000 0.459 430 P HA -0.288 nan 4.420 nan 0.000 0.216 430 P C 1.050 178.378 177.300 0.046 0.000 1.167 430 P CA 1.435 64.567 63.100 0.054 0.000 0.914 430 P CB 0.111 31.824 31.700 0.022 0.000 0.793 431 R N -0.801 119.712 120.500 0.022 0.000 2.094 431 R HA -0.126 4.214 4.340 0.001 0.000 0.239 431 R C 2.445 178.724 176.300 -0.036 0.000 1.137 431 R CA 2.113 58.223 56.100 0.016 0.000 0.943 431 R CB -1.296 29.057 30.300 0.088 0.000 0.850 431 R HN 0.219 nan 8.270 nan 0.000 0.433 432 G N -0.752 108.033 108.800 -0.025 0.000 2.408 432 G HA2 -0.301 3.660 3.960 0.001 0.000 0.217 432 G HA3 -0.301 3.660 3.960 0.001 0.000 0.217 432 G C 1.187 176.112 174.900 0.041 0.000 1.150 432 G CA 0.535 45.601 45.100 -0.057 0.000 0.776 432 G HN 0.350 nan 8.290 nan 0.000 0.542 433 Y N 2.684 122.946 120.300 -0.062 0.000 2.114 433 Y HA -0.196 4.355 4.550 0.001 0.000 0.284 433 Y C 3.266 179.148 175.900 -0.029 0.000 1.143 433 Y CA 1.954 60.037 58.100 -0.028 0.000 1.135 433 Y CB -0.813 37.641 38.460 -0.009 0.000 0.980 433 Y HN 0.317 nan 8.280 nan 0.000 0.499 434 T N -3.119 111.433 114.554 -0.004 0.000 2.746 434 T HA -0.218 4.132 4.350 0.001 0.000 0.267 434 T C 2.282 176.934 174.700 -0.081 0.000 1.039 434 T CA 1.651 63.685 62.100 -0.109 0.000 1.142 434 T CB -1.135 67.662 68.868 -0.117 0.000 0.866 434 T HN 0.307 nan 8.240 nan 0.000 0.444 435 S N 1.531 117.194 115.700 -0.062 0.000 2.359 435 S HA -0.193 4.278 4.470 0.001 0.000 0.224 435 S C 2.146 176.744 174.600 -0.003 0.000 1.035 435 S CA 1.988 60.165 58.200 -0.039 0.000 1.018 435 S CB -0.526 62.498 63.200 -0.293 0.000 0.876 435 S HN 0.550 nan 8.310 nan 0.000 0.448 436 K N 1.250 121.638 120.400 -0.021 0.000 2.009 436 K HA 0.026 4.346 4.320 0.001 0.000 0.210 436 K C 1.920 178.507 176.600 -0.020 0.000 1.049 436 K CA 1.966 58.256 56.287 0.005 0.000 0.929 436 K CB -0.892 31.629 32.500 0.035 0.000 0.714 436 K HN 0.543 nan 8.250 nan 0.000 0.440 437 I N 0.670 121.183 120.570 -0.095 0.000 2.163 437 I HA -0.289 3.882 4.170 0.001 0.000 0.243 437 I C 2.268 178.334 176.117 -0.086 0.000 1.085 437 I CA 1.378 62.603 61.300 -0.125 0.000 1.347 437 I CB -0.476 37.367 38.000 -0.261 0.000 1.044 437 I HN 0.291 nan 8.210 nan 0.000 0.408 438 A N 0.733 123.504 122.820 -0.081 0.000 2.024 438 A HA -0.149 4.172 4.320 0.001 0.000 0.220 438 A C 2.369 179.920 177.584 -0.054 0.000 1.164 438 A CA 1.970 53.958 52.037 -0.082 0.000 0.643 438 A CB -1.259 17.724 19.000 -0.028 0.000 0.806 438 A HN 0.511 nan 8.150 nan 0.000 0.451 439 G N 0.478 109.280 108.800 0.003 0.000 2.396 439 G HA2 -0.028 3.932 3.960 0.001 0.000 0.214 439 G HA3 -0.028 3.932 3.960 0.001 0.000 0.214 439 G C 1.429 176.395 174.900 0.109 0.000 1.166 439 G CA 0.885 46.001 45.100 0.026 0.000 0.793 439 G HN 0.806 nan 8.290 nan 0.000 0.533 440 I N -1.517 119.116 120.570 0.105 0.000 3.428 440 I HA 0.268 4.439 4.170 0.001 0.000 0.286 440 I C 1.982 178.221 176.117 0.202 0.000 1.287 440 I CA 0.263 61.708 61.300 0.241 0.000 1.396 440 I CB -0.122 38.040 38.000 0.271 0.000 1.062 440 I HN -0.012 nan 8.210 nan 0.000 0.471 441 L N 0.832 122.058 121.223 0.006 0.000 2.456 441 L HA -0.098 4.243 4.340 0.001 0.000 0.224 441 L C 2.344 179.112 176.870 -0.170 0.000 1.148 441 L CA 0.704 55.485 54.840 -0.098 0.000 0.825 441 L CB -0.753 41.178 42.059 -0.214 0.000 0.937 441 L HN 0.407 nan 8.230 nan 0.000 0.450 442 H N -2.056 116.989 119.070 -0.041 0.000 2.544 442 H HA 0.009 4.566 4.556 0.001 0.000 0.269 442 H C 1.126 176.183 175.328 -0.451 0.000 0.970 442 H CA 0.965 56.888 56.048 -0.209 0.000 1.219 442 H CB 0.398 29.998 29.762 -0.270 0.000 1.421 442 H HN 0.365 nan 8.280 nan 0.000 0.555 443 Y N -1.466 118.693 120.300 -0.234 0.000 2.442 443 Y HA 0.155 4.706 4.550 0.001 0.000 0.250 443 Y C -0.235 175.077 175.900 -0.979 0.000 1.113 443 Y CA -0.246 57.460 58.100 -0.657 0.000 1.273 443 Y CB 0.604 38.445 38.460 -1.031 0.000 1.138 443 Y HN -0.057 nan 8.280 nan 0.000 0.522 444 Y N -0.718 119.580 120.300 -0.005 0.000 2.553 444 Y HA 0.552 5.103 4.550 0.001 0.000 0.347 444 Y C -2.556 173.320 175.900 -0.039 0.000 1.019 444 Y CA -3.930 54.116 58.100 -0.091 0.000 1.032 444 Y CB 0.648 39.008 38.460 -0.166 0.000 1.284 444 Y HN -0.252 nan 8.280 nan 0.000 0.466 445 P HA 0.062 nan 4.420 nan 0.000 0.269 445 P C 0.583 177.923 177.300 0.067 0.000 1.215 445 P CA -0.266 62.886 63.100 0.088 0.000 0.780 445 P CB 0.780 32.538 31.700 0.098 0.000 0.898 446 L N 2.265 123.509 121.223 0.035 0.000 2.010 446 L HA -0.265 4.076 4.340 0.001 0.000 0.219 446 L C 1.958 178.839 176.870 0.018 0.000 1.077 446 L CA 2.097 56.947 54.840 0.018 0.000 0.773 446 L CB -1.521 40.545 42.059 0.012 0.000 0.892 446 L HN 0.454 nan 8.230 nan 0.000 0.436 447 E N -0.659 119.559 120.200 0.029 0.000 2.265 447 E HA -0.171 4.179 4.350 0.001 0.000 0.196 447 E C 1.844 178.442 176.600 -0.003 0.000 0.996 447 E CA 1.056 57.471 56.400 0.025 0.000 0.832 447 E CB -0.134 29.593 29.700 0.045 0.000 0.756 447 E HN 0.580 nan 8.360 nan 0.000 0.491 448 E N -0.429 119.773 120.200 0.004 0.000 2.481 448 E HA 0.061 4.411 4.350 0.001 0.000 0.198 448 E C 1.522 178.058 176.600 -0.107 0.000 1.027 448 E CA -0.089 56.286 56.400 -0.041 0.000 0.900 448 E CB 0.532 30.243 29.700 0.019 0.000 0.993 448 E HN 0.026 nan 8.360 nan 0.000 0.482 449 V N 0.969 120.851 119.914 -0.054 0.000 2.469 449 V HA -0.234 3.886 4.120 0.001 0.000 0.251 449 V C 1.623 177.653 176.094 -0.106 0.000 1.064 449 V CA 1.497 63.765 62.300 -0.053 0.000 1.066 449 V CB -0.025 31.788 31.823 -0.016 0.000 0.667 449 V HN 0.242 nan 8.190 nan 0.000 0.461 450 L N 0.076 121.226 121.223 -0.120 0.000 2.375 450 L HA 0.053 4.393 4.340 0.001 0.000 0.215 450 L C 2.535 179.337 176.870 -0.113 0.000 1.108 450 L CA 2.174 56.973 54.840 -0.067 0.000 0.830 450 L CB -0.767 41.231 42.059 -0.101 0.000 0.959 450 L HN 0.652 nan 8.230 nan 0.000 0.457 451 T N -5.036 109.347 114.554 -0.285 0.000 3.034 451 T HA 0.173 4.523 4.350 0.001 0.000 0.248 451 T C 1.988 176.490 174.700 -0.330 0.000 1.040 451 T CA 0.514 62.307 62.100 -0.512 0.000 1.107 451 T CB -0.265 68.283 68.868 -0.534 0.000 0.932 451 T HN 0.072 nan 8.240 nan 0.000 0.474 452 A N 2.639 125.237 122.820 -0.370 0.000 1.893 452 A HA -0.246 4.075 4.320 0.001 0.000 0.222 452 A C 1.804 179.155 177.584 -0.388 0.000 1.309 452 A CA 2.021 53.721 52.037 -0.563 0.000 0.681 452 A CB -1.033 17.008 19.000 -1.599 0.000 0.842 452 A HN 0.699 nan 8.150 nan 0.000 0.468 453 E N -2.628 117.368 120.200 -0.340 0.000 2.422 453 E HA 0.277 4.627 4.350 0.001 0.000 0.267 453 E C -0.346 176.235 176.600 -0.033 0.000 1.466 453 E CA -0.072 56.256 56.400 -0.119 0.000 1.767 453 E CB 0.001 29.656 29.700 -0.075 0.000 1.471 453 E HN 0.746 nan 8.360 nan 0.000 0.446 454 Y N -1.111 119.112 120.300 -0.129 0.000 3.213 454 Y HA 0.161 4.712 4.550 0.001 0.000 0.208 454 Y C 0.117 175.943 175.900 -0.125 0.000 1.044 454 Y CA -0.193 57.843 58.100 -0.106 0.000 1.520 454 Y CB 0.700 39.070 38.460 -0.150 0.000 1.447 454 Y HN -0.059 nan 8.280 nan 0.000 0.393 455 L N 2.583 123.804 121.223 -0.004 0.000 2.371 455 L HA 0.344 4.684 4.340 0.001 0.000 0.272 455 L C -0.763 176.100 176.870 -0.012 0.000 1.124 455 L CA -0.242 54.563 54.840 -0.059 0.000 0.816 455 L CB 0.953 42.903 42.059 -0.182 0.000 1.129 455 L HN 0.053 nan 8.230 nan 0.000 0.448 456 L N 2.457 123.663 121.223 -0.028 0.000 2.331 456 L HA 0.361 4.701 4.340 0.001 0.000 0.275 456 L C 0.534 177.449 176.870 0.075 0.000 1.022 456 L CA -0.421 54.429 54.840 0.017 0.000 0.812 456 L CB 1.911 43.854 42.059 -0.194 0.000 1.257 456 L HN 0.675 nan 8.230 nan 0.000 0.435 457 E N 1.257 121.575 120.200 0.196 0.000 2.625 457 E HA 0.105 4.455 4.350 0.001 0.000 0.185 457 E C -0.393 176.375 176.600 0.280 0.000 1.085 457 E CA 0.223 56.725 56.400 0.170 0.000 1.137 457 E CB 0.289 30.031 29.700 0.071 0.000 1.687 457 E HN 0.671 nan 8.360 nan 0.000 0.512 458 E N 0.888 121.210 120.200 0.203 0.000 2.179 458 E HA 0.360 4.710 4.350 0.001 0.000 0.275 458 E C -0.839 175.665 176.600 -0.160 0.000 0.945 458 E CA -0.697 55.753 56.400 0.083 0.000 0.792 458 E CB 1.351 31.043 29.700 -0.014 0.000 1.125 458 E HN -0.082 nan 8.360 nan 0.000 0.397 459 F N 3.460 123.045 119.950 -0.609 0.000 2.438 459 F HA 0.228 4.756 4.527 0.001 0.000 0.360 459 F C -0.235 175.209 175.800 -0.593 0.000 1.118 459 F CA -0.944 56.363 58.000 -1.154 0.000 1.164 459 F CB 0.481 38.906 39.000 -0.960 0.000 1.131 459 F HN 0.339 nan 8.300 nan 0.000 0.527 460 R N 8.673 128.587 120.500 -0.978 0.000 2.575 460 R HA 0.196 4.537 4.340 0.001 0.000 0.281 460 R C -1.924 173.795 176.300 -0.967 0.000 1.272 460 R CA -1.629 54.003 56.100 -0.781 0.000 1.417 460 R CB 0.352 30.359 30.300 -0.489 0.000 1.121 460 R HN 0.449 nan 8.270 nan 0.000 0.583 461 P HA -0.215 nan 4.420 nan 0.000 0.217 461 P C 0.659 177.647 177.300 -0.521 0.000 1.148 461 P CA 1.339 63.875 63.100 -0.939 0.000 0.828 461 P CB 0.282 31.553 31.700 -0.715 0.000 0.783 462 D N 0.369 120.511 120.400 -0.430 0.000 2.144 462 D HA -0.140 4.501 4.640 0.001 0.000 0.200 462 D C 2.139 178.253 176.300 -0.310 0.000 0.978 462 D CA 0.898 54.717 54.000 -0.301 0.000 0.833 462 D CB -1.012 39.642 40.800 -0.244 0.000 0.961 462 D HN 0.241 nan 8.370 nan 0.000 0.470 463 L N 0.136 121.123 121.223 -0.395 0.000 2.156 463 L HA -0.016 4.324 4.340 0.001 0.000 0.208 463 L C 2.792 179.461 176.870 -0.334 0.000 1.095 463 L CA 0.409 54.994 54.840 -0.425 0.000 0.770 463 L CB -0.237 41.465 42.059 -0.594 0.000 0.914 463 L HN -0.048 nan 8.230 nan 0.000 0.439 464 I N -0.094 120.264 120.570 -0.353 0.000 2.179 464 I HA -0.281 3.889 4.170 0.001 0.000 0.242 464 I C 2.432 178.437 176.117 -0.187 0.000 1.088 464 I CA 1.427 62.569 61.300 -0.262 0.000 1.357 464 I CB -0.296 37.473 38.000 -0.385 0.000 1.051 464 I HN 0.277 nan 8.210 nan 0.000 0.409 465 E N 0.381 120.462 120.200 -0.198 0.000 2.110 465 E HA -0.268 4.082 4.350 0.001 0.000 0.193 465 E C 2.198 178.720 176.600 -0.130 0.000 0.988 465 E CA 1.179 57.493 56.400 -0.142 0.000 0.804 465 E CB -0.243 29.377 29.700 -0.135 0.000 0.745 465 E HN 0.411 nan 8.360 nan 0.000 0.458 466 M N 1.147 120.657 119.600 -0.150 0.000 2.149 466 M HA -0.143 4.337 4.480 0.001 0.000 0.261 466 M C 2.109 178.347 176.300 -0.103 0.000 1.064 466 M CA 1.443 56.671 55.300 -0.121 0.000 1.102 466 M CB -0.178 32.334 32.600 -0.147 0.000 1.369 466 M HN 0.003 nan 8.290 nan 0.000 0.408 467 V N 0.180 120.021 119.914 -0.121 0.000 2.407 467 V HA -0.225 3.896 4.120 0.001 0.000 0.245 467 V C 2.566 178.547 176.094 -0.189 0.000 1.041 467 V CA 1.054 63.282 62.300 -0.121 0.000 1.040 467 V CB -0.664 31.098 31.823 -0.102 0.000 0.671 467 V HN 0.462 nan 8.190 nan 0.000 0.455 468 L N 0.333 121.447 121.223 -0.182 0.000 2.129 468 L HA -0.264 4.076 4.340 0.001 0.000 0.212 468 L C 2.226 178.994 176.870 -0.169 0.000 1.087 468 L CA 2.177 56.899 54.840 -0.198 0.000 0.757 468 L CB -0.387 41.598 42.059 -0.122 0.000 0.896 468 L HN 0.447 nan 8.230 nan 0.000 0.434 469 D N -0.713 119.615 120.400 -0.120 0.000 2.310 469 D HA -0.154 4.487 4.640 0.001 0.000 0.212 469 D C 1.996 178.253 176.300 -0.072 0.000 0.965 469 D CA 0.760 54.712 54.000 -0.080 0.000 0.879 469 D CB 0.285 41.050 40.800 -0.059 0.000 0.921 469 D HN 0.054 nan 8.370 nan 0.000 0.510 470 K N -0.254 120.084 120.400 -0.104 0.000 2.305 470 K HA 0.091 4.411 4.320 0.001 0.000 0.199 470 K C 0.649 177.172 176.600 -0.128 0.000 1.047 470 K CA 0.183 56.432 56.287 -0.063 0.000 0.976 470 K CB 0.120 32.594 32.500 -0.043 0.000 0.765 470 K HN 0.294 nan 8.250 nan 0.000 0.474 471 L N 2.778 123.785 121.223 -0.359 0.000 2.437 471 L HA 0.168 4.508 4.340 0.001 0.000 0.243 471 L C 0.019 176.758 176.870 -0.217 0.000 1.346 471 L CA -0.006 54.352 54.840 -0.804 0.000 1.233 471 L CB -0.436 41.066 42.059 -0.928 0.000 1.436 471 L HN -0.099 nan 8.230 nan 0.000 0.416 472 R N 0.873 121.462 120.500 0.148 0.000 2.807 472 R HA 0.365 4.705 4.340 0.001 0.000 0.276 472 R C -1.802 174.727 176.300 0.381 0.000 0.979 472 R CA -1.834 54.404 56.100 0.229 0.000 0.928 472 R CB 1.637 31.985 30.300 0.080 0.000 1.191 472 R HN -0.128 nan 8.270 nan 0.000 0.471 473 P HA -0.286 nan 4.420 nan 0.000 0.218 473 P C 0.838 178.268 177.300 0.216 0.000 1.154 473 P CA 1.429 64.544 63.100 0.025 0.000 0.872 473 P CB 0.224 31.815 31.700 -0.182 0.000 0.790 474 E N -0.469 119.815 120.200 0.141 0.000 2.472 474 E HA -0.137 4.214 4.350 0.001 0.000 0.200 474 E C 0.376 177.069 176.600 0.154 0.000 1.046 474 E CA 1.043 57.519 56.400 0.126 0.000 0.871 474 E CB -1.234 28.513 29.700 0.077 0.000 0.806 474 E HN 0.432 nan 8.360 nan 0.000 0.533 475 N N 0.399 119.239 118.700 0.234 0.000 2.282 475 N HA 0.150 4.890 4.740 0.001 0.000 0.240 475 N C -0.744 174.911 175.510 0.240 0.000 1.182 475 N CA -0.238 52.961 53.050 0.248 0.000 0.874 475 N CB 1.636 40.299 38.487 0.294 0.000 1.126 475 N HN -0.092 nan 8.380 nan 0.000 0.516 476 V N 0.971 120.967 119.914 0.137 0.000 2.834 476 V HA 0.485 4.605 4.120 0.001 0.000 0.313 476 V C -0.705 175.346 176.094 -0.071 0.000 1.060 476 V CA -0.495 61.714 62.300 -0.152 0.000 0.989 476 V CB 1.493 33.253 31.823 -0.106 0.000 1.041 476 V HN 0.153 nan 8.190 nan 0.000 0.459 477 R N 3.488 123.895 120.500 -0.155 0.000 2.628 477 R HA 0.746 5.086 4.340 0.001 0.000 0.288 477 R C -1.902 174.394 176.300 -0.006 0.000 0.980 477 R CA -0.688 55.395 56.100 -0.029 0.000 0.891 477 R CB 2.306 32.554 30.300 -0.086 0.000 1.188 477 R HN 0.483 nan 8.270 nan 0.000 0.450 478 V N 1.375 121.357 119.914 0.113 0.000 2.531 478 V HA 0.745 4.865 4.120 0.001 0.000 0.301 478 V C -0.603 175.631 176.094 0.233 0.000 1.034 478 V CA -0.839 61.537 62.300 0.128 0.000 0.865 478 V CB 1.762 33.667 31.823 0.137 0.000 0.995 478 V HN 0.938 nan 8.190 nan 0.000 0.424 479 A N 5.830 128.785 122.820 0.225 0.000 2.356 479 A HA 0.937 5.258 4.320 0.001 0.000 0.310 479 A C -0.980 176.767 177.584 0.271 0.000 1.075 479 A CA -0.512 51.687 52.037 0.271 0.000 0.746 479 A CB 1.121 20.243 19.000 0.203 0.000 1.221 479 A HN 0.771 nan 8.150 nan 0.000 0.443 480 I N 2.582 123.318 120.570 0.276 0.000 2.406 480 I HA 0.412 4.582 4.170 0.001 0.000 0.290 480 I C -0.829 175.535 176.117 0.411 0.000 0.999 480 I CA -0.942 60.548 61.300 0.317 0.000 1.124 480 I CB 2.014 40.250 38.000 0.393 0.000 1.289 480 I HN 0.298 nan 8.210 nan 0.000 0.441 481 V N 4.842 124.941 119.914 0.308 0.000 2.370 481 V HA 0.654 4.774 4.120 0.001 0.000 0.283 481 V C -0.090 176.094 176.094 0.149 0.000 1.023 481 V CA -0.257 62.208 62.300 0.276 0.000 0.857 481 V CB 1.439 33.414 31.823 0.254 0.000 0.985 481 V HN 0.824 nan 8.190 nan 0.000 0.443 482 S N 3.472 119.235 115.700 0.104 0.000 2.578 482 S HA 0.330 4.800 4.470 0.001 0.000 0.285 482 S C 0.332 174.854 174.600 -0.129 0.000 1.126 482 S CA -0.731 57.398 58.200 -0.118 0.000 0.878 482 S CB 1.739 64.710 63.200 -0.380 0.000 1.091 482 S HN 0.596 nan 8.310 nan 0.000 0.450 483 K N 1.828 122.171 120.400 -0.094 0.000 2.280 483 K HA -0.046 4.274 4.320 0.001 0.000 0.202 483 K C 2.049 178.593 176.600 -0.093 0.000 1.047 483 K CA 1.517 57.774 56.287 -0.049 0.000 0.942 483 K CB -0.642 31.838 32.500 -0.034 0.000 0.739 483 K HN 0.780 nan 8.250 nan 0.000 0.457 484 S N -0.080 115.474 115.700 -0.243 0.000 2.493 484 S HA -0.072 4.398 4.470 0.001 0.000 0.243 484 S C 1.623 176.106 174.600 -0.196 0.000 0.991 484 S CA 0.694 58.730 58.200 -0.273 0.000 0.957 484 S CB -0.585 62.364 63.200 -0.419 0.000 0.756 484 S HN 0.291 nan 8.310 nan 0.000 0.521 485 F N 1.124 121.092 119.950 0.029 0.000 2.727 485 F HA 0.350 4.878 4.527 0.001 0.000 0.302 485 F C 1.167 176.983 175.800 0.027 0.000 1.097 485 F CA -0.730 57.288 58.000 0.031 0.000 1.330 485 F CB 0.109 39.139 39.000 0.049 0.000 1.084 485 F HN 0.202 nan 8.300 nan 0.000 0.578 486 E N 0.556 120.853 120.200 0.162 0.000 2.465 486 E HA 0.195 4.545 4.350 0.001 0.000 0.260 486 E C 1.131 177.781 176.600 0.084 0.000 0.980 486 E CA 1.006 57.469 56.400 0.105 0.000 0.927 486 E CB 0.368 30.104 29.700 0.059 0.000 0.934 486 E HN 0.423 nan 8.360 nan 0.000 0.459 487 G N 4.068 112.909 108.800 0.067 0.000 2.148 487 G HA2 -0.332 3.629 3.960 0.001 0.000 0.254 487 G HA3 -0.332 3.629 3.960 0.001 0.000 0.254 487 G C 0.484 175.411 174.900 0.045 0.000 0.981 487 G CA 0.660 45.787 45.100 0.045 0.000 0.670 487 G HN 0.602 nan 8.290 nan 0.000 0.528 488 K N 0.056 120.496 120.400 0.067 0.000 2.501 488 K HA 0.227 4.548 4.320 0.001 0.000 0.204 488 K C 0.742 177.346 176.600 0.007 0.000 1.067 488 K CA 0.557 56.875 56.287 0.051 0.000 1.060 488 K CB 1.015 33.579 32.500 0.107 0.000 0.873 488 K HN 0.492 nan 8.250 nan 0.000 0.540 489 T N -0.968 113.586 114.554 -0.000 0.000 2.929 489 T HA 0.251 4.602 4.350 0.001 0.000 0.284 489 T C 0.260 174.908 174.700 -0.087 0.000 1.014 489 T CA -0.707 61.358 62.100 -0.058 0.000 1.051 489 T CB 1.609 70.463 68.868 -0.023 0.000 1.028 489 T HN 0.098 nan 8.240 nan 0.000 0.485 490 D N -0.124 120.185 120.400 -0.151 0.000 2.469 490 D HA 0.192 4.832 4.640 0.001 0.000 0.215 490 D C 0.404 176.585 176.300 -0.198 0.000 1.154 490 D CA -0.481 53.433 54.000 -0.143 0.000 0.832 490 D CB 0.344 41.069 40.800 -0.124 0.000 1.008 490 D HN 0.464 nan 8.370 nan 0.000 0.506 491 R N -0.376 119.928 120.500 -0.326 0.000 2.807 491 R HA 0.727 5.068 4.340 0.001 0.000 0.276 491 R C -1.021 175.128 176.300 -0.251 0.000 0.979 491 R CA -0.780 55.077 56.100 -0.406 0.000 0.928 491 R CB 2.122 31.912 30.300 -0.850 0.000 1.191 491 R HN 0.121 nan 8.270 nan 0.000 0.471 492 T N -1.739 112.791 114.554 -0.040 0.000 2.949 492 T HA 0.196 4.547 4.350 0.001 0.000 0.300 492 T C -0.404 174.407 174.700 0.185 0.000 0.988 492 T CA -0.986 61.185 62.100 0.118 0.000 0.993 492 T CB 1.725 70.615 68.868 0.036 0.000 0.984 492 T HN 0.394 nan 8.240 nan 0.000 0.442 493 E N 2.373 122.747 120.200 0.290 0.000 2.415 493 E HA 0.003 4.353 4.350 0.001 0.000 0.263 493 E C 0.615 177.236 176.600 0.034 0.000 0.995 493 E CA 0.198 56.699 56.400 0.168 0.000 0.915 493 E CB 0.840 30.603 29.700 0.104 0.000 0.951 493 E HN 0.752 nan 8.360 nan 0.000 0.449 494 E N 3.797 123.936 120.200 -0.102 0.000 2.033 494 E HA -0.218 4.132 4.350 0.001 0.000 0.199 494 E C 1.709 178.033 176.600 -0.461 0.000 1.011 494 E CA 2.078 58.254 56.400 -0.374 0.000 0.815 494 E CB -0.490 28.821 29.700 -0.650 0.000 0.755 494 E HN 0.678 nan 8.360 nan 0.000 0.451 495 W N -1.239 119.995 121.300 -0.110 0.000 2.467 495 W HA -0.020 4.640 4.660 0.001 0.000 0.275 495 W C 1.267 177.621 176.519 -0.275 0.000 1.239 495 W CA 0.431 57.577 57.345 -0.330 0.000 1.266 495 W CB -0.023 29.050 29.460 -0.645 0.000 1.112 495 W HN 0.101 nan 8.180 nan 0.000 0.576 496 Y N -1.309 119.055 120.300 0.108 0.000 2.432 496 Y HA 0.338 4.889 4.550 0.001 0.000 0.252 496 Y C 1.877 177.798 175.900 0.035 0.000 1.097 496 Y CA 0.210 58.363 58.100 0.088 0.000 1.250 496 Y CB 0.469 38.995 38.460 0.109 0.000 1.245 496 Y HN -0.041 nan 8.280 nan 0.000 0.522 497 G N 0.739 109.630 108.800 0.152 0.000 2.148 497 G HA2 -0.297 3.663 3.960 0.001 0.000 0.254 497 G HA3 -0.297 3.663 3.960 0.001 0.000 0.254 497 G C 0.214 175.185 174.900 0.120 0.000 0.981 497 G CA 0.391 45.544 45.100 0.087 0.000 0.670 497 G HN 0.228 nan 8.290 nan 0.000 0.528 498 T N 0.931 115.579 114.554 0.157 0.000 2.866 498 T HA 0.325 4.675 4.350 0.001 0.000 0.293 498 T C 0.498 175.334 174.700 0.226 0.000 1.005 498 T CA 0.621 62.808 62.100 0.144 0.000 1.162 498 T CB 1.058 69.967 68.868 0.067 0.000 0.968 498 T HN 0.373 nan 8.240 nan 0.000 0.530 499 Q N 2.418 122.336 119.800 0.198 0.000 2.279 499 Q HA 0.530 4.871 4.340 0.001 0.000 0.256 499 Q C -0.694 175.492 176.000 0.309 0.000 0.937 499 Q CA -0.232 55.692 55.803 0.201 0.000 0.933 499 Q CB 0.434 29.244 28.738 0.121 0.000 1.189 499 Q HN 0.736 nan 8.270 nan 0.000 0.417 500 Y N -0.534 119.785 120.300 0.032 0.000 2.788 500 Y HA 0.671 5.221 4.550 0.001 0.000 0.335 500 Y C -1.781 174.114 175.900 -0.007 0.000 1.287 500 Y CA -1.431 56.682 58.100 0.022 0.000 1.068 500 Y CB 1.179 39.669 38.460 0.051 0.000 1.340 500 Y HN 0.438 nan 8.280 nan 0.000 0.449 501 K N 1.483 121.829 120.400 -0.089 0.000 2.464 501 K HA 0.451 4.771 4.320 0.001 0.000 0.253 501 K C -1.882 174.678 176.600 -0.066 0.000 0.933 501 K CA -0.751 55.409 56.287 -0.212 0.000 0.801 501 K CB 2.498 34.877 32.500 -0.202 0.000 1.271 501 K HN 0.914 nan 8.250 nan 0.000 0.430 502 Q N 3.278 123.004 119.800 -0.125 0.000 2.333 502 Q HA 0.285 4.625 4.340 0.001 0.000 0.267 502 Q C -1.652 174.223 176.000 -0.208 0.000 1.012 502 Q CA -0.505 55.200 55.803 -0.164 0.000 0.824 502 Q CB 1.622 30.342 28.738 -0.030 0.000 1.290 502 Q HN 0.735 nan 8.270 nan 0.000 0.449 503 E N 1.824 121.858 120.200 -0.278 0.000 2.372 503 E HA 0.688 5.039 4.350 0.001 0.000 0.279 503 E C -1.551 174.928 176.600 -0.202 0.000 0.946 503 E CA -1.157 55.124 56.400 -0.198 0.000 0.769 503 E CB 1.323 30.931 29.700 -0.154 0.000 1.230 503 E HN 0.577 nan 8.360 nan 0.000 0.442 504 A N 2.898 125.633 122.820 -0.142 0.000 2.388 504 A HA 0.420 4.740 4.320 0.001 0.000 0.257 504 A C 0.150 177.679 177.584 -0.093 0.000 1.095 504 A CA -0.557 51.412 52.037 -0.113 0.000 0.791 504 A CB 0.001 18.950 19.000 -0.084 0.000 1.029 504 A HN 0.595 nan 8.150 nan 0.000 0.489 505 I N 4.095 124.624 120.570 -0.068 0.000 2.471 505 I HA 0.174 4.344 4.170 0.001 0.000 0.286 505 I C -1.576 174.485 176.117 -0.093 0.000 1.079 505 I CA -1.444 59.817 61.300 -0.065 0.000 1.398 505 I CB 0.836 38.836 38.000 -0.000 0.000 1.403 505 I HN 0.529 nan 8.210 nan 0.000 0.530 506 P HA 0.046 nan 4.420 nan 0.000 0.268 506 P C -0.291 176.924 177.300 -0.142 0.000 1.205 506 P CA -0.072 62.958 63.100 -0.118 0.000 0.771 506 P CB 0.978 32.607 31.700 -0.119 0.000 0.858 507 D N 1.386 121.723 120.400 -0.105 0.000 2.158 507 D HA -0.214 4.426 4.640 0.001 0.000 0.197 507 D C 1.691 177.912 176.300 -0.133 0.000 0.995 507 D CA 1.480 55.419 54.000 -0.100 0.000 0.846 507 D CB -0.206 40.554 40.800 -0.067 0.000 0.941 507 D HN 0.523 nan 8.370 nan 0.000 0.456 508 E N 0.205 120.325 120.200 -0.133 0.000 2.130 508 E HA -0.158 4.192 4.350 0.001 0.000 0.196 508 E C 1.789 178.253 176.600 -0.227 0.000 0.998 508 E CA 0.932 57.247 56.400 -0.142 0.000 0.806 508 E CB -0.193 29.436 29.700 -0.118 0.000 0.738 508 E HN 0.164 nan 8.360 nan 0.000 0.459 509 V N 1.059 120.779 119.914 -0.324 0.000 2.407 509 V HA -0.139 3.982 4.120 0.001 0.000 0.245 509 V C 2.495 178.099 176.094 -0.816 0.000 1.041 509 V CA 1.592 63.528 62.300 -0.607 0.000 1.040 509 V CB -0.573 30.834 31.823 -0.695 0.000 0.671 509 V HN 0.528 nan 8.190 nan 0.000 0.455 510 I N -0.399 119.883 120.570 -0.481 0.000 2.546 510 I HA -0.171 3.999 4.170 0.001 0.000 0.255 510 I C 2.333 178.391 176.117 -0.098 0.000 1.163 510 I CA 1.800 62.986 61.300 -0.191 0.000 1.457 510 I CB -0.271 37.732 38.000 0.005 0.000 1.092 510 I HN 0.217 nan 8.210 nan 0.000 0.434 511 K N 1.212 121.532 120.400 -0.133 0.000 2.103 511 K HA -0.124 4.196 4.320 0.001 0.000 0.204 511 K C 2.083 178.648 176.600 -0.059 0.000 1.052 511 K CA 0.954 57.197 56.287 -0.074 0.000 0.945 511 K CB 0.056 32.515 32.500 -0.069 0.000 0.722 511 K HN 0.243 nan 8.250 nan 0.000 0.443 512 K N -0.111 120.217 120.400 -0.120 0.000 2.097 512 K HA -0.155 4.166 4.320 0.001 0.000 0.206 512 K C 1.903 178.556 176.600 0.088 0.000 1.049 512 K CA 1.154 57.406 56.287 -0.059 0.000 0.933 512 K CB -0.104 32.310 32.500 -0.144 0.000 0.717 512 K HN 0.345 nan 8.250 nan 0.000 0.442 513 W N 1.886 123.168 121.300 -0.030 0.000 2.409 513 W HA -0.030 4.631 4.660 0.001 0.000 0.299 513 W C 1.988 178.373 176.519 -0.223 0.000 1.203 513 W CA 0.435 57.728 57.345 -0.087 0.000 1.298 513 W CB -0.833 28.518 29.460 -0.181 0.000 1.127 513 W HN 0.241 nan 8.180 nan 0.000 0.528 514 Q N -0.176 119.631 119.800 0.011 0.000 2.226 514 Q HA -0.127 4.213 4.340 0.001 0.000 0.204 514 Q C 1.250 177.251 176.000 0.001 0.000 0.975 514 Q CA 0.906 56.675 55.803 -0.056 0.000 0.866 514 Q CB -0.366 28.349 28.738 -0.039 0.000 0.915 514 Q HN 0.229 nan 8.270 nan 0.000 0.440 515 N N 0.351 119.074 118.700 0.038 0.000 2.313 515 N HA 0.138 4.878 4.740 0.001 0.000 0.207 515 N C -0.544 175.014 175.510 0.080 0.000 1.141 515 N CA 0.031 53.109 53.050 0.048 0.000 0.830 515 N CB 0.391 38.901 38.487 0.037 0.000 1.008 515 N HN 0.112 nan 8.380 nan 0.000 0.481 516 A N 1.681 124.570 122.820 0.114 0.000 2.546 516 A HA 0.073 4.393 4.320 0.001 0.000 0.243 516 A C 0.428 178.081 177.584 0.115 0.000 1.063 516 A CA -0.010 52.119 52.037 0.153 0.000 0.757 516 A CB 0.058 19.196 19.000 0.230 0.000 0.991 516 A HN 0.335 nan 8.150 nan 0.000 0.503 517 D N 1.540 122.002 120.400 0.104 0.000 2.569 517 D HA 0.514 5.155 4.640 0.001 0.000 0.266 517 D C -0.221 176.138 176.300 0.099 0.000 1.164 517 D CA -0.774 53.276 54.000 0.083 0.000 1.071 517 D CB 0.185 41.022 40.800 0.063 0.000 1.183 517 D HN 0.360 nan 8.370 nan 0.000 0.613 518 L N 0.336 121.609 121.223 0.083 0.000 2.380 518 L HA 0.256 4.597 4.340 0.001 0.000 0.273 518 L C 0.424 177.346 176.870 0.086 0.000 1.138 518 L CA -0.516 54.383 54.840 0.100 0.000 0.832 518 L CB 0.287 42.390 42.059 0.074 0.000 1.124 518 L HN 0.427 nan 8.230 nan 0.000 0.454 519 N N 1.555 120.326 118.700 0.119 0.000 2.417 519 N HA 0.179 4.919 4.740 0.001 0.000 0.274 519 N C 0.815 176.309 175.510 -0.027 0.000 0.987 519 N CA -0.200 52.852 53.050 0.003 0.000 0.912 519 N CB 2.117 40.538 38.487 -0.110 0.000 1.177 519 N HN 0.712 nan 8.380 nan 0.000 0.490 520 G N 2.952 111.728 108.800 -0.040 0.000 2.501 520 G HA2 -0.217 3.743 3.960 0.001 0.000 0.220 520 G HA3 -0.217 3.743 3.960 0.001 0.000 0.220 520 G C 1.296 176.164 174.900 -0.053 0.000 1.114 520 G CA 0.610 45.696 45.100 -0.023 0.000 0.757 520 G HN 0.532 nan 8.290 nan 0.000 0.559 521 K N -0.197 120.095 120.400 -0.180 0.000 2.296 521 K HA 0.092 4.412 4.320 0.001 0.000 0.200 521 K C 0.111 176.644 176.600 -0.111 0.000 1.048 521 K CA 0.063 56.215 56.287 -0.226 0.000 0.966 521 K CB -0.030 32.224 32.500 -0.410 0.000 0.754 521 K HN 0.423 nan 8.250 nan 0.000 0.466 522 F N 1.882 121.910 119.950 0.130 0.000 2.405 522 F HA 0.225 4.752 4.527 0.001 0.000 0.355 522 F C 0.630 176.499 175.800 0.115 0.000 1.121 522 F CA -0.664 57.446 58.000 0.184 0.000 1.112 522 F CB 1.008 40.160 39.000 0.252 0.000 1.126 522 F HN -0.325 nan 8.300 nan 0.000 0.481 523 K N 3.545 124.153 120.400 0.347 0.000 2.466 523 K HA 0.597 4.918 4.320 0.001 0.000 0.260 523 K C -1.030 175.683 176.600 0.189 0.000 1.011 523 K CA -1.093 55.313 56.287 0.198 0.000 0.871 523 K CB 2.579 35.169 32.500 0.150 0.000 1.404 523 K HN 0.459 nan 8.250 nan 0.000 0.450 524 L N 1.753 123.059 121.223 0.138 0.000 2.456 524 L HA 0.327 4.667 4.340 0.001 0.000 0.257 524 L C -2.050 174.901 176.870 0.135 0.000 1.162 524 L CA -1.919 53.004 54.840 0.137 0.000 0.808 524 L CB 0.305 42.481 42.059 0.197 0.000 1.136 524 L HN 0.312 nan 8.230 nan 0.000 0.466 525 P HA 0.080 nan 4.420 nan 0.000 0.269 525 P C -0.609 176.857 177.300 0.276 0.000 1.215 525 P CA -0.332 62.759 63.100 -0.015 0.000 0.780 525 P CB 0.498 31.954 31.700 -0.406 0.000 0.898 526 T N -0.893 113.790 114.554 0.215 0.000 2.788 526 T HA 0.323 4.673 4.350 0.001 0.000 0.280 526 T C 0.206 175.064 174.700 0.264 0.000 0.984 526 T CA -0.885 61.318 62.100 0.172 0.000 0.972 526 T CB 0.404 69.332 68.868 0.100 0.000 1.039 526 T HN 0.091 nan 8.240 nan 0.000 0.530 527 K N 1.720 122.166 120.400 0.077 0.000 2.451 527 K HA 0.059 4.380 4.320 0.001 0.000 0.280 527 K C 0.211 176.927 176.600 0.195 0.000 1.020 527 K CA -0.080 56.300 56.287 0.156 0.000 1.008 527 K CB -0.076 32.399 32.500 -0.041 0.000 0.917 527 K HN 0.620 nan 8.250 nan 0.000 0.478 528 N N 3.771 122.632 118.700 0.267 0.000 2.438 528 N HA -0.051 4.689 4.740 0.001 0.000 0.267 528 N C -0.327 175.257 175.510 0.124 0.000 1.222 528 N CA 0.459 53.639 53.050 0.216 0.000 0.930 528 N CB 0.508 39.139 38.487 0.239 0.000 1.083 528 N HN 0.616 nan 8.380 nan 0.000 0.476 529 E N 2.729 122.952 120.200 0.039 0.000 2.479 529 E HA -0.004 4.346 4.350 0.001 0.000 0.193 529 E C 0.324 176.828 176.600 -0.160 0.000 1.049 529 E CA 0.099 56.450 56.400 -0.083 0.000 0.870 529 E CB 0.152 29.749 29.700 -0.171 0.000 0.944 529 E HN 0.631 nan 8.360 nan 0.000 0.492 530 F N 0.703 120.653 119.950 -0.001 0.000 2.765 530 F HA 0.178 4.706 4.527 0.001 0.000 0.302 530 F C 1.010 176.817 175.800 0.012 0.000 1.111 530 F CA -0.268 57.723 58.000 -0.014 0.000 1.359 530 F CB 0.443 39.414 39.000 -0.048 0.000 1.097 530 F HN -0.121 nan 8.300 nan 0.000 0.577 531 I N 4.091 124.767 120.570 0.176 0.000 2.821 531 I HA -0.067 4.104 4.170 0.001 0.000 0.294 531 I C -1.820 174.332 176.117 0.059 0.000 1.210 531 I CA -1.329 60.048 61.300 0.127 0.000 1.430 531 I CB 0.136 38.199 38.000 0.105 0.000 1.356 531 I HN -0.167 nan 8.210 nan 0.000 0.563 532 P HA 0.090 nan 4.420 nan 0.000 0.275 532 P C 0.136 177.253 177.300 -0.306 0.000 1.227 532 P CA -0.189 62.799 63.100 -0.186 0.000 0.781 532 P CB 1.315 32.822 31.700 -0.322 0.000 0.906 533 T N -1.898 112.362 114.554 -0.491 0.000 2.966 533 T HA 0.097 4.447 4.350 0.001 0.000 0.254 533 T C 0.551 174.837 174.700 -0.689 0.000 0.961 533 T CA 0.016 61.862 62.100 -0.423 0.000 0.915 533 T CB -0.350 68.424 68.868 -0.156 0.000 1.186 533 T HN 0.292 nan 8.240 nan 0.000 0.505 534 N N 0.909 119.159 118.700 -0.750 0.000 2.439 534 N HA 0.385 5.126 4.740 0.001 0.000 0.249 534 N C -1.051 174.020 175.510 -0.732 0.000 1.003 534 N CA -1.288 51.439 53.050 -0.539 0.000 0.942 534 N CB 0.326 38.651 38.487 -0.271 0.000 1.115 534 N HN 0.308 nan 8.380 nan 0.000 0.505 535 F N 0.475 120.369 119.950 -0.095 0.000 2.708 535 F HA 0.264 4.792 4.527 0.001 0.000 0.300 535 F C 1.046 176.783 175.800 -0.105 0.000 1.118 535 F CA -0.611 57.276 58.000 -0.189 0.000 1.307 535 F CB 0.110 38.951 39.000 -0.266 0.000 0.986 535 F HN 0.399 nan 8.300 nan 0.000 0.522 536 E N 2.202 122.428 120.200 0.044 0.000 2.415 536 E HA 0.054 4.404 4.350 0.001 0.000 0.263 536 E C -0.220 176.412 176.600 0.053 0.000 0.995 536 E CA -0.178 56.255 56.400 0.055 0.000 0.915 536 E CB 0.645 30.361 29.700 0.027 0.000 0.951 536 E HN 0.049 nan 8.360 nan 0.000 0.449 537 I N 6.438 127.053 120.570 0.075 0.000 2.291 537 I HA 0.075 4.245 4.170 0.001 0.000 0.290 537 I C 0.141 176.309 176.117 0.085 0.000 1.050 537 I CA -0.627 60.733 61.300 0.099 0.000 1.245 537 I CB 0.283 38.365 38.000 0.136 0.000 1.405 537 I HN 0.524 nan 8.210 nan 0.000 0.478 538 L N 8.741 130.016 121.223 0.087 0.000 2.559 538 L HA 0.070 4.411 4.340 0.001 0.000 0.282 538 L C -1.626 175.296 176.870 0.087 0.000 1.232 538 L CA -0.791 54.096 54.840 0.078 0.000 0.885 538 L CB -0.662 41.449 42.059 0.086 0.000 1.131 538 L HN 0.323 nan 8.230 nan 0.000 0.498 539 P HA 0.049 nan 4.420 nan 0.000 0.271 539 P C -0.232 177.112 177.300 0.074 0.000 1.216 539 P CA -0.834 62.294 63.100 0.046 0.000 0.771 539 P CB 0.930 32.643 31.700 0.023 0.000 0.864 540 L N 3.367 124.640 121.223 0.083 0.000 2.601 540 L HA -0.029 4.312 4.340 0.001 0.000 0.277 540 L C 0.941 177.857 176.870 0.077 0.000 1.219 540 L CA 0.734 55.636 54.840 0.104 0.000 0.915 540 L CB -0.771 41.354 42.059 0.110 0.000 1.160 540 L HN 0.390 nan 8.230 nan 0.000 0.494 541 E N 4.298 124.554 120.200 0.093 0.000 2.404 541 E HA -0.019 4.331 4.350 0.001 0.000 0.261 541 E C 0.775 177.411 176.600 0.060 0.000 1.074 541 E CA -0.063 56.384 56.400 0.079 0.000 0.917 541 E CB 0.622 30.387 29.700 0.107 0.000 0.965 541 E HN 0.561 nan 8.360 nan 0.000 0.433 542 K N 1.081 121.509 120.400 0.045 0.000 2.209 542 K HA -0.173 4.147 4.320 0.001 0.000 0.204 542 K C 0.385 177.007 176.600 0.036 0.000 1.048 542 K CA 1.394 57.700 56.287 0.033 0.000 0.940 542 K CB 0.007 32.522 32.500 0.025 0.000 0.729 542 K HN 0.281 nan 8.250 nan 0.000 0.451 543 E N 1.290 121.519 120.200 0.049 0.000 2.370 543 E HA 0.273 4.624 4.350 0.001 0.000 0.194 543 E C -0.280 176.361 176.600 0.068 0.000 1.057 543 E CA -0.114 56.318 56.400 0.053 0.000 1.011 543 E CB 0.616 30.350 29.700 0.056 0.000 1.132 543 E HN 0.411 nan 8.360 nan 0.000 0.450 544 A N 1.256 124.112 122.820 0.059 0.000 2.445 544 A HA 0.446 4.767 4.320 0.001 0.000 0.242 544 A C 0.594 178.176 177.584 -0.004 0.000 1.075 544 A CA -0.064 51.998 52.037 0.043 0.000 0.777 544 A CB 0.110 19.131 19.000 0.036 0.000 1.013 544 A HN 0.273 nan 8.150 nan 0.000 0.493 545 T N -0.106 114.418 114.554 -0.050 0.000 2.887 545 T HA 0.603 4.953 4.350 0.001 0.000 0.288 545 T C -2.356 172.241 174.700 -0.173 0.000 1.021 545 T CA -1.627 60.421 62.100 -0.088 0.000 1.000 545 T CB 1.699 70.531 68.868 -0.060 0.000 1.034 545 T HN 0.277 nan 8.240 nan 0.000 0.467 546 P HA 0.060 nan 4.420 nan 0.000 0.218 546 P C -0.523 176.466 177.300 -0.517 0.000 1.149 546 P CA 1.000 63.856 63.100 -0.407 0.000 0.817 546 P CB -0.007 31.360 31.700 -0.554 0.000 0.785 547 Y N -2.556 117.579 120.300 -0.275 0.000 2.630 547 Y HA 0.467 5.017 4.550 0.001 0.000 0.337 547 Y C -2.215 173.271 175.900 -0.690 0.000 1.051 547 Y CA -3.450 54.288 58.100 -0.604 0.000 1.121 547 Y CB -0.341 37.834 38.460 -0.475 0.000 1.299 547 Y HN -0.325 nan 8.280 nan 0.000 0.498 548 P HA 0.273 nan 4.420 nan 0.000 0.269 548 P C -1.253 175.973 177.300 -0.124 0.000 1.209 548 P CA 0.105 62.852 63.100 -0.589 0.000 0.776 548 P CB 0.569 31.778 31.700 -0.819 0.000 0.876 549 A N 2.692 125.579 122.820 0.111 0.000 2.374 549 A HA 0.560 4.881 4.320 0.001 0.000 0.317 549 A C -1.076 176.601 177.584 0.155 0.000 1.094 549 A CA -0.670 51.489 52.037 0.204 0.000 0.765 549 A CB 0.797 19.872 19.000 0.125 0.000 1.268 549 A HN 0.524 nan 8.150 nan 0.000 0.438 550 L N 3.600 124.761 121.223 -0.103 0.000 2.401 550 L HA 0.335 4.675 4.340 0.001 0.000 0.283 550 L C 0.822 177.550 176.870 -0.236 0.000 1.151 550 L CA 0.054 54.579 54.840 -0.525 0.000 0.942 550 L CB -0.341 41.237 42.059 -0.800 0.000 1.283 550 L HN 0.661 nan 8.230 nan 0.000 0.442 551 I N 0.435 120.924 120.570 -0.135 0.000 3.578 551 I HA 0.236 4.406 4.170 0.001 0.000 0.295 551 I C 0.481 176.535 176.117 -0.104 0.000 1.280 551 I CA 0.036 61.291 61.300 -0.075 0.000 1.347 551 I CB -0.204 37.777 38.000 -0.030 0.000 1.051 551 I HN 0.520 nan 8.210 nan 0.000 0.460 552 K N 1.531 121.842 120.400 -0.149 0.000 2.589 552 K HA 0.230 4.550 4.320 0.001 0.000 0.253 552 K C -1.799 174.715 176.600 -0.143 0.000 0.974 552 K CA -0.436 55.784 56.287 -0.113 0.000 0.835 552 K CB 1.640 34.099 32.500 -0.068 0.000 1.272 552 K HN -0.022 nan 8.250 nan 0.000 0.444 553 D N 3.634 123.968 120.400 -0.109 0.000 2.400 553 D HA 0.162 4.802 4.640 0.001 0.000 0.272 553 D C -0.732 175.549 176.300 -0.032 0.000 1.220 553 D CA -0.004 53.940 54.000 -0.094 0.000 0.897 553 D CB 0.938 41.655 40.800 -0.138 0.000 1.134 553 D HN 0.605 nan 8.370 nan 0.000 0.507 554 T N -1.944 112.619 114.554 0.015 0.000 2.919 554 T HA 0.687 5.038 4.350 0.001 0.000 0.282 554 T C 1.373 176.121 174.700 0.080 0.000 1.020 554 T CA -0.231 61.890 62.100 0.034 0.000 0.994 554 T CB 1.553 70.445 68.868 0.039 0.000 1.180 554 T HN -0.014 nan 8.240 nan 0.000 0.566 555 A N -0.015 122.842 122.820 0.062 0.000 2.067 555 A HA 0.124 4.445 4.320 0.001 0.000 0.217 555 A C 2.106 179.801 177.584 0.185 0.000 1.156 555 A CA 1.304 53.377 52.037 0.060 0.000 0.683 555 A CB -0.887 18.126 19.000 0.023 0.000 0.808 555 A HN 0.796 nan 8.150 nan 0.000 0.455 556 M N -0.070 119.639 119.600 0.181 0.000 2.287 556 M HA 0.071 4.551 4.480 0.001 0.000 0.266 556 M C 0.527 176.968 176.300 0.235 0.000 1.079 556 M CA 1.499 56.925 55.300 0.211 0.000 1.146 556 M CB -0.015 32.664 32.600 0.131 0.000 1.374 556 M HN 0.450 nan 8.290 nan 0.000 0.435 557 S N -1.033 114.773 115.700 0.176 0.000 2.547 557 S HA 0.493 4.964 4.470 0.001 0.000 0.270 557 S C -1.019 173.625 174.600 0.072 0.000 1.150 557 S CA -1.177 57.050 58.200 0.045 0.000 0.850 557 S CB 1.466 64.695 63.200 0.048 0.000 1.118 557 S HN 0.233 nan 8.310 nan 0.000 0.461 558 K N 1.259 121.672 120.400 0.022 0.000 2.394 558 K HA 0.572 4.892 4.320 0.001 0.000 0.260 558 K C -1.721 174.847 176.600 -0.054 0.000 0.967 558 K CA -0.833 55.451 56.287 -0.005 0.000 0.855 558 K CB 1.131 33.706 32.500 0.126 0.000 1.101 558 K HN 0.605 nan 8.250 nan 0.000 0.433 559 L N 5.615 126.741 121.223 -0.163 0.000 2.298 559 L HA 0.507 4.847 4.340 0.001 0.000 0.284 559 L C -1.752 175.016 176.870 -0.170 0.000 1.013 559 L CA -0.285 54.507 54.840 -0.080 0.000 0.824 559 L CB 0.426 42.474 42.059 -0.018 0.000 1.221 559 L HN 0.522 nan 8.230 nan 0.000 0.418 560 W N 5.595 126.978 121.300 0.139 0.000 2.438 560 W HA 0.580 5.240 4.660 0.001 0.000 0.324 560 W C -0.618 176.004 176.519 0.171 0.000 1.119 560 W CA -0.189 57.242 57.345 0.143 0.000 1.221 560 W CB 1.330 30.892 29.460 0.169 0.000 1.253 560 W HN 0.461 nan 8.180 nan 0.000 0.555 561 F N 3.038 123.090 119.950 0.171 0.000 2.613 561 F HA 0.655 5.183 4.527 0.001 0.000 0.310 561 F C -1.211 174.603 175.800 0.025 0.000 1.085 561 F CA -1.598 56.452 58.000 0.083 0.000 0.945 561 F CB 1.754 40.782 39.000 0.048 0.000 1.298 561 F HN 0.300 nan 8.300 nan 0.000 0.455 562 K N 4.611 124.289 120.400 -1.202 0.000 2.575 562 K HA 0.203 4.523 4.320 0.001 0.000 0.255 562 K C -1.993 174.128 176.600 -0.798 0.000 0.953 562 K CA -0.620 55.069 56.287 -0.995 0.000 0.840 562 K CB 1.809 33.952 32.500 -0.594 0.000 1.303 562 K HN 0.891 nan 8.250 nan 0.000 0.438 563 Q N 3.408 122.808 119.800 -0.667 0.000 2.279 563 Q HA 0.075 4.415 4.340 0.001 0.000 0.256 563 Q C -0.733 175.254 176.000 -0.022 0.000 0.937 563 Q CA -0.395 55.307 55.803 -0.170 0.000 0.933 563 Q CB 0.986 29.745 28.738 0.036 0.000 1.189 563 Q HN 0.611 nan 8.270 nan 0.000 0.417 564 D N 3.176 123.591 120.400 0.025 0.000 2.581 564 D HA -0.136 4.504 4.640 0.001 0.000 0.238 564 D C -0.303 175.893 176.300 -0.174 0.000 1.145 564 D CA 0.546 54.520 54.000 -0.044 0.000 0.866 564 D CB 0.643 41.368 40.800 -0.125 0.000 1.151 564 D HN 0.617 nan 8.370 nan 0.000 0.500 565 D N 2.051 122.300 120.400 -0.253 0.000 2.571 565 D HA 0.051 4.692 4.640 0.001 0.000 0.239 565 D C 0.559 176.556 176.300 -0.504 0.000 1.267 565 D CA -0.219 53.637 54.000 -0.240 0.000 0.823 565 D CB -0.111 40.641 40.800 -0.080 0.000 1.056 565 D HN 0.638 nan 8.370 nan 0.000 0.494 566 K N -1.296 118.492 120.400 -1.019 0.000 2.604 566 K HA 0.147 4.467 4.320 0.001 0.000 0.201 566 K C 0.370 176.274 176.600 -1.159 0.000 1.733 566 K CA -0.282 55.410 56.287 -0.992 0.000 1.115 566 K CB -0.466 31.520 32.500 -0.856 0.000 1.532 566 K HN 0.014 nan 8.250 nan 0.000 0.595 567 F N 0.973 120.506 119.950 -0.696 0.000 2.559 567 F HA 0.394 4.921 4.527 0.001 0.000 0.286 567 F C -0.069 175.596 175.800 -0.226 0.000 1.108 567 F CA -0.449 57.343 58.000 -0.346 0.000 1.436 567 F CB 0.093 38.955 39.000 -0.229 0.000 1.130 567 F HN -0.199 nan 8.300 nan 0.000 0.584 568 F N 1.637 121.667 119.950 0.134 0.000 2.969 568 F HA -0.228 4.299 4.527 0.001 0.000 0.273 568 F C -0.454 175.409 175.800 0.105 0.000 0.986 568 F CA -0.287 57.767 58.000 0.089 0.000 0.926 568 F CB -1.938 37.096 39.000 0.057 0.000 0.887 568 F HN -0.112 nan 8.300 nan 0.000 0.816 569 L N 2.234 123.569 121.223 0.187 0.000 2.354 569 L HA 0.444 4.785 4.340 0.001 0.000 0.269 569 L C -1.653 175.235 176.870 0.029 0.000 1.005 569 L CA -2.044 52.873 54.840 0.128 0.000 0.819 569 L CB 1.949 44.079 42.059 0.118 0.000 1.311 569 L HN -0.271 nan 8.230 nan 0.000 0.423 570 P HA 0.026 nan 4.420 nan 0.000 0.251 570 P C -0.878 176.460 177.300 0.062 0.000 1.624 570 P CA 0.418 63.490 63.100 -0.046 0.000 0.907 570 P CB -0.242 31.363 31.700 -0.157 0.000 1.867 571 K N 0.483 120.892 120.400 0.014 0.000 2.444 571 K HA 0.865 5.185 4.320 0.001 0.000 0.252 571 K C -0.862 175.705 176.600 -0.054 0.000 0.993 571 K CA -1.012 55.257 56.287 -0.030 0.000 0.847 571 K CB 2.706 35.143 32.500 -0.105 0.000 1.340 571 K HN 0.030 nan 8.250 nan 0.000 0.446 572 A N 0.522 123.298 122.820 -0.073 0.000 2.604 572 A HA 0.578 4.899 4.320 0.001 0.000 0.295 572 A C -1.586 175.947 177.584 -0.085 0.000 1.067 572 A CA -0.669 51.324 52.037 -0.072 0.000 0.683 572 A CB 1.114 20.111 19.000 -0.004 0.000 1.281 572 A HN 0.705 nan 8.150 nan 0.000 0.407 573 C N 1.463 120.710 119.300 -0.089 0.000 2.345 573 C HA 0.710 5.170 4.460 0.001 0.000 0.323 573 C C -0.329 174.614 174.990 -0.079 0.000 1.276 573 C CA -0.411 58.551 59.018 -0.093 0.000 1.543 573 C CB -0.015 27.661 27.740 -0.107 0.000 2.211 573 C HN 0.641 nan 8.230 nan 0.000 0.493 574 L N 4.332 125.495 121.223 -0.100 0.000 2.353 574 L HA 0.415 4.756 4.340 0.001 0.000 0.270 574 L C -0.806 175.889 176.870 -0.292 0.000 1.003 574 L CA -0.176 54.577 54.840 -0.145 0.000 0.862 574 L CB 0.547 42.652 42.059 0.077 0.000 1.221 574 L HN 0.633 nan 8.230 nan 0.000 0.430 575 N N 3.060 121.422 118.700 -0.563 0.000 2.408 575 N HA 0.669 5.409 4.740 0.001 0.000 0.280 575 N C -1.245 173.828 175.510 -0.729 0.000 1.002 575 N CA -0.091 52.501 53.050 -0.762 0.000 0.907 575 N CB 1.392 38.999 38.487 -1.466 0.000 1.161 575 N HN 0.222 nan 8.380 nan 0.000 0.488 576 F N 0.139 119.955 119.950 -0.222 0.000 2.529 576 F HA 0.367 4.895 4.527 0.001 0.000 0.320 576 F C 0.235 176.035 175.800 -0.001 0.000 1.118 576 F CA -0.903 57.013 58.000 -0.139 0.000 0.915 576 F CB 2.010 40.775 39.000 -0.391 0.000 1.161 576 F HN 0.225 nan 8.300 nan 0.000 0.445 577 E N 2.864 123.183 120.200 0.197 0.000 2.155 577 E HA 0.486 4.836 4.350 0.001 0.000 0.264 577 E C -1.759 174.702 176.600 -0.231 0.000 0.886 577 E CA -0.491 55.958 56.400 0.082 0.000 0.752 577 E CB 0.679 30.387 29.700 0.014 0.000 1.133 577 E HN 0.339 nan 8.360 nan 0.000 0.414 578 F N 4.904 124.874 119.950 0.033 0.000 2.361 578 F HA 0.417 4.944 4.527 0.001 0.000 0.364 578 F C -0.357 175.473 175.800 0.051 0.000 1.120 578 F CA -0.679 57.379 58.000 0.097 0.000 1.102 578 F CB 0.560 39.642 39.000 0.136 0.000 1.183 578 F HN 0.360 nan 8.300 nan 0.000 0.476 579 F N 2.083 122.261 119.950 0.379 0.000 2.410 579 F HA 0.497 5.024 4.527 0.001 0.000 0.348 579 F C 0.490 176.486 175.800 0.326 0.000 1.106 579 F CA -0.359 57.842 58.000 0.335 0.000 1.163 579 F CB 1.480 40.650 39.000 0.284 0.000 1.129 579 F HN 0.340 nan 8.300 nan 0.000 0.516 580 S N 4.090 120.083 115.700 0.489 0.000 2.592 580 S HA 0.391 4.861 4.470 0.001 0.000 0.275 580 S C -2.320 172.542 174.600 0.437 0.000 1.169 580 S CA -1.123 57.335 58.200 0.429 0.000 0.958 580 S CB 1.623 65.050 63.200 0.379 0.000 1.095 580 S HN 0.225 nan 8.310 nan 0.000 0.471 581 P HA 0.059 nan 4.420 nan 0.000 0.218 581 P C 0.702 178.129 177.300 0.212 0.000 1.149 581 P CA 0.911 64.167 63.100 0.261 0.000 0.817 581 P CB -0.022 31.745 31.700 0.112 0.000 0.785 582 F N -0.739 119.370 119.950 0.265 0.000 2.771 582 F HA 0.096 4.623 4.527 0.001 0.000 0.299 582 F C 2.151 178.272 175.800 0.535 0.000 1.177 582 F CA 0.434 58.625 58.000 0.319 0.000 1.450 582 F CB -1.111 38.075 39.000 0.309 0.000 1.114 582 F HN -0.075 nan 8.300 nan 0.000 0.587 583 A N -1.638 121.556 122.820 0.623 0.000 2.021 583 A HA -0.092 4.229 4.320 0.001 0.000 0.216 583 A C 1.279 179.249 177.584 0.644 0.000 1.163 583 A CA 0.976 53.393 52.037 0.633 0.000 0.676 583 A CB -0.518 18.794 19.000 0.521 0.000 0.818 583 A HN 0.499 nan 8.150 nan 0.000 0.453 584 Y N -1.711 118.839 120.300 0.418 0.000 2.768 584 Y HA 0.263 4.814 4.550 0.001 0.000 0.249 584 Y C 1.276 177.486 175.900 0.516 0.000 1.146 584 Y CA -0.074 58.308 58.100 0.470 0.000 1.171 584 Y CB 0.902 39.641 38.460 0.464 0.000 1.249 584 Y HN 0.013 nan 8.280 nan 0.000 0.567 585 V N 0.986 121.085 119.914 0.307 0.000 2.594 585 V HA -0.103 4.017 4.120 0.001 0.000 0.253 585 V C 0.067 176.231 176.094 0.118 0.000 1.069 585 V CA 2.427 64.800 62.300 0.122 0.000 1.082 585 V CB -0.233 31.437 31.823 -0.255 0.000 0.680 585 V HN 0.662 nan 8.190 nan 0.000 0.469 586 D N -4.143 116.193 120.400 -0.106 0.000 2.694 586 D HA 0.230 4.870 4.640 0.001 0.000 0.260 586 D C -2.528 173.140 176.300 -1.053 0.000 1.250 586 D CA -1.173 52.385 54.000 -0.737 0.000 0.763 586 D CB 0.685 41.240 40.800 -0.408 0.000 1.311 586 D HN -0.157 nan 8.370 nan 0.000 0.420 587 P HA -0.167 nan 4.420 nan 0.000 0.217 587 P C 1.747 178.823 177.300 -0.373 0.000 1.158 587 P CA 1.251 63.831 63.100 -0.868 0.000 0.887 587 P CB 0.137 31.451 31.700 -0.645 0.000 0.792 588 L N -1.116 119.943 121.223 -0.273 0.000 2.012 588 L HA -0.196 4.144 4.340 0.001 0.000 0.210 588 L C 2.248 179.009 176.870 -0.182 0.000 1.073 588 L CA 2.029 56.777 54.840 -0.154 0.000 0.748 588 L CB -1.526 40.476 42.059 -0.095 0.000 0.891 588 L HN 0.142 nan 8.230 nan 0.000 0.431 589 H N -2.169 116.794 119.070 -0.177 0.000 2.495 589 H HA -0.132 4.425 4.556 0.001 0.000 0.287 589 H C 2.362 177.650 175.328 -0.066 0.000 1.033 589 H CA 1.278 57.241 56.048 -0.142 0.000 1.307 589 H CB -0.125 29.692 29.762 0.092 0.000 1.401 589 H HN 0.555 nan 8.280 nan 0.000 0.555 590 C N 1.456 120.801 119.300 0.075 0.000 2.466 590 C HA -0.077 4.384 4.460 0.001 0.000 0.278 590 C C 2.404 177.499 174.990 0.175 0.000 1.288 590 C CA 0.674 59.824 59.018 0.220 0.000 1.722 590 C CB -0.649 27.215 27.740 0.207 0.000 2.017 590 C HN 0.518 nan 8.230 nan 0.000 0.488 591 N N 0.867 119.627 118.700 0.100 0.000 2.166 591 N HA -0.079 4.661 4.740 0.001 0.000 0.186 591 N C 1.751 177.310 175.510 0.082 0.000 1.019 591 N CA 1.662 54.827 53.050 0.192 0.000 0.856 591 N CB -0.493 38.128 38.487 0.224 0.000 0.993 591 N HN 0.589 nan 8.380 nan 0.000 0.426 592 M N 0.119 119.620 119.600 -0.165 0.000 2.156 592 M HA 0.044 4.524 4.480 0.001 0.000 0.264 592 M C 2.209 178.420 176.300 -0.148 0.000 1.067 592 M CA 0.990 56.062 55.300 -0.379 0.000 1.131 592 M CB -0.336 31.562 32.600 -1.170 0.000 1.368 592 M HN 0.101 nan 8.290 nan 0.000 0.416 593 A N -0.150 122.661 122.820 -0.014 0.000 1.940 593 A HA -0.221 4.099 4.320 0.001 0.000 0.219 593 A C 2.027 179.806 177.584 0.325 0.000 1.176 593 A CA 1.530 53.834 52.037 0.446 0.000 0.631 593 A CB -0.985 18.312 19.000 0.495 0.000 0.814 593 A HN 0.553 nan 8.150 nan 0.000 0.446 594 Y N -0.063 120.280 120.300 0.071 0.000 2.092 594 Y HA -0.122 4.428 4.550 0.001 0.000 0.282 594 Y C 1.975 177.825 175.900 -0.083 0.000 1.126 594 Y CA 1.676 59.734 58.100 -0.071 0.000 1.111 594 Y CB -0.529 37.756 38.460 -0.292 0.000 0.987 594 Y HN 0.176 nan 8.280 nan 0.000 0.489 595 L N -0.092 121.077 121.223 -0.090 0.000 2.043 595 L HA -0.258 4.082 4.340 0.001 0.000 0.212 595 L C 2.343 179.249 176.870 0.060 0.000 1.075 595 L CA 2.002 56.809 54.840 -0.056 0.000 0.752 595 L CB -1.926 40.239 42.059 0.177 0.000 0.891 595 L HN 0.500 nan 8.230 nan 0.000 0.432 596 Y N -0.336 119.993 120.300 0.047 0.000 2.049 596 Y HA -0.280 4.270 4.550 0.001 0.000 0.277 596 Y C 2.351 178.200 175.900 -0.085 0.000 1.143 596 Y CA 1.598 59.759 58.100 0.102 0.000 1.115 596 Y CB -0.714 37.897 38.460 0.250 0.000 0.975 596 Y HN 0.075 nan 8.280 nan 0.000 0.487 597 L N 0.774 121.731 121.223 -0.442 0.000 2.083 597 L HA -0.147 4.194 4.340 0.001 0.000 0.209 597 L C 2.423 179.033 176.870 -0.433 0.000 1.083 597 L CA 1.941 56.427 54.840 -0.590 0.000 0.752 597 L CB -1.390 40.451 42.059 -0.363 0.000 0.899 597 L HN 0.259 nan 8.230 nan 0.000 0.433 598 E N -1.005 118.938 120.200 -0.429 0.000 2.150 598 E HA -0.146 4.204 4.350 0.001 0.000 0.193 598 E C 2.062 178.533 176.600 -0.215 0.000 0.985 598 E CA 0.721 56.886 56.400 -0.392 0.000 0.814 598 E CB -0.098 29.225 29.700 -0.629 0.000 0.752 598 E HN 0.163 nan 8.360 nan 0.000 0.466 599 L N -0.177 120.961 121.223 -0.141 0.000 2.131 599 L HA -0.013 4.328 4.340 0.001 0.000 0.206 599 L C 2.057 178.868 176.870 -0.098 0.000 1.087 599 L CA 0.934 55.800 54.840 0.044 0.000 0.767 599 L CB -0.823 41.435 42.059 0.332 0.000 0.917 599 L HN 0.252 nan 8.230 nan 0.000 0.441 600 L N -0.415 120.484 121.223 -0.540 0.000 2.046 600 L HA -0.184 4.157 4.340 0.001 0.000 0.208 600 L C 2.357 179.036 176.870 -0.318 0.000 1.077 600 L CA 1.797 56.147 54.840 -0.817 0.000 0.747 600 L CB -0.617 40.845 42.059 -0.994 0.000 0.896 600 L HN 0.184 nan 8.230 nan 0.000 0.432 601 K N -0.761 119.512 120.400 -0.212 0.000 2.148 601 K HA -0.176 4.144 4.320 0.001 0.000 0.204 601 K C 1.900 178.490 176.600 -0.016 0.000 1.050 601 K CA 1.290 57.546 56.287 -0.053 0.000 0.942 601 K CB -0.332 32.118 32.500 -0.083 0.000 0.724 601 K HN 0.494 nan 8.250 nan 0.000 0.446 602 D N 0.742 121.123 120.400 -0.033 0.000 2.178 602 D HA -0.117 4.523 4.640 0.001 0.000 0.202 602 D C 1.731 178.064 176.300 0.055 0.000 0.974 602 D CA 1.417 55.425 54.000 0.013 0.000 0.841 602 D CB 0.291 41.105 40.800 0.024 0.000 0.953 602 D HN 0.179 nan 8.370 nan 0.000 0.478 603 S N -0.277 115.471 115.700 0.081 0.000 2.446 603 S HA 0.027 4.497 4.470 0.001 0.000 0.225 603 S C 2.260 176.917 174.600 0.095 0.000 1.016 603 S CA -0.010 58.263 58.200 0.123 0.000 0.943 603 S CB -0.256 63.098 63.200 0.257 0.000 0.786 603 S HN 0.269 nan 8.310 nan 0.000 0.508 604 L N 1.701 122.968 121.223 0.073 0.000 2.509 604 L HA 0.113 4.454 4.340 0.001 0.000 0.222 604 L C 2.701 179.691 176.870 0.200 0.000 1.123 604 L CA 0.267 55.175 54.840 0.114 0.000 0.856 604 L CB -0.559 41.541 42.059 0.068 0.000 0.985 604 L HN 0.482 nan 8.230 nan 0.000 0.456 605 N N 0.919 119.705 118.700 0.143 0.000 2.037 605 N HA -0.295 4.445 4.740 0.001 0.000 0.196 605 N C 1.593 177.197 175.510 0.158 0.000 1.034 605 N CA 1.834 54.964 53.050 0.132 0.000 0.861 605 N CB 0.051 38.572 38.487 0.057 0.000 1.039 605 N HN 0.401 nan 8.380 nan 0.000 0.427 606 E N -1.038 119.247 120.200 0.142 0.000 2.219 606 E HA -0.230 4.121 4.350 0.001 0.000 0.198 606 E C 1.623 178.373 176.600 0.250 0.000 0.998 606 E CA 1.054 57.549 56.400 0.158 0.000 0.818 606 E CB -0.107 29.675 29.700 0.138 0.000 0.741 606 E HN 0.528 nan 8.360 nan 0.000 0.477 607 Y N -0.296 120.088 120.300 0.139 0.000 2.347 607 Y HA 0.100 4.650 4.550 0.001 0.000 0.294 607 Y C 1.942 177.951 175.900 0.181 0.000 1.117 607 Y CA 1.102 59.309 58.100 0.178 0.000 1.184 607 Y CB -0.049 38.495 38.460 0.139 0.000 1.047 607 Y HN -0.032 nan 8.280 nan 0.000 0.546 608 A N -0.926 121.989 122.820 0.159 0.000 2.119 608 A HA -0.099 4.222 4.320 0.001 0.000 0.216 608 A C 1.859 179.410 177.584 -0.054 0.000 1.152 608 A CA 0.755 52.784 52.037 -0.014 0.000 0.708 608 A CB -1.267 17.877 19.000 0.240 0.000 0.805 608 A HN 0.687 nan 8.150 nan 0.000 0.460 609 Y N 0.919 121.171 120.300 -0.079 0.000 2.128 609 Y HA -0.190 4.361 4.550 0.001 0.000 0.284 609 Y C 2.608 178.429 175.900 -0.131 0.000 1.154 609 Y CA 1.259 59.285 58.100 -0.122 0.000 1.149 609 Y CB -0.509 37.863 38.460 -0.148 0.000 0.976 609 Y HN 0.322 nan 8.280 nan 0.000 0.505 610 A N 0.209 123.011 122.820 -0.031 0.000 1.908 610 A HA -0.146 4.175 4.320 0.001 0.000 0.218 610 A C 2.443 179.957 177.584 -0.116 0.000 1.181 610 A CA 2.043 54.086 52.037 0.010 0.000 0.627 610 A CB -1.500 17.640 19.000 0.232 0.000 0.818 610 A HN 0.580 nan 8.150 nan 0.000 0.445 611 A N -0.576 121.997 122.820 -0.411 0.000 1.902 611 A HA -0.184 4.136 4.320 0.001 0.000 0.217 611 A C 2.039 179.411 177.584 -0.352 0.000 1.181 611 A CA 1.770 53.376 52.037 -0.717 0.000 0.623 611 A CB -0.536 17.649 19.000 -1.358 0.000 0.818 611 A HN 0.663 nan 8.150 nan 0.000 0.443 612 E N -0.716 119.290 120.200 -0.323 0.000 2.077 612 E HA -0.190 4.161 4.350 0.001 0.000 0.193 612 E C 1.747 178.193 176.600 -0.257 0.000 0.989 612 E CA 1.074 57.311 56.400 -0.272 0.000 0.800 612 E CB -0.132 29.389 29.700 -0.300 0.000 0.746 612 E HN 0.379 nan 8.360 nan 0.000 0.452 613 L N 0.493 121.518 121.223 -0.331 0.000 2.131 613 L HA -0.081 4.260 4.340 0.001 0.000 0.210 613 L C 1.993 178.832 176.870 -0.052 0.000 1.092 613 L CA 1.683 56.387 54.840 -0.227 0.000 0.759 613 L CB -0.693 41.221 42.059 -0.242 0.000 0.903 613 L HN 0.120 nan 8.230 nan 0.000 0.435 614 A N -1.379 121.437 122.820 -0.008 0.000 2.370 614 A HA 0.467 4.787 4.320 0.001 0.000 0.238 614 A C 1.526 179.247 177.584 0.230 0.000 1.289 614 A CA 0.476 52.592 52.037 0.132 0.000 0.885 614 A CB -0.932 18.172 19.000 0.173 0.000 0.961 614 A HN 0.511 nan 8.150 nan 0.000 0.499 615 G N -0.846 107.999 108.800 0.075 0.000 2.198 615 G HA2 -0.187 3.773 3.960 0.001 0.000 0.260 615 G HA3 -0.187 3.773 3.960 0.001 0.000 0.260 615 G C -0.065 174.751 174.900 -0.140 0.000 1.025 615 G CA 0.435 45.508 45.100 -0.045 0.000 0.769 615 G HN 0.893 nan 8.290 nan 0.000 0.507 616 L N 1.529 122.694 121.223 -0.096 0.000 2.427 616 L HA 0.648 4.988 4.340 0.001 0.000 0.264 616 L C 0.348 177.131 176.870 -0.144 0.000 0.989 616 L CA 0.129 54.900 54.840 -0.114 0.000 0.865 616 L CB 1.267 43.268 42.059 -0.097 0.000 1.209 616 L HN 0.463 nan 8.230 nan 0.000 0.430 617 S N 3.603 119.240 115.700 -0.105 0.000 2.715 617 S HA 0.796 5.266 4.470 0.001 0.000 0.307 617 S C -0.869 173.758 174.600 0.044 0.000 1.119 617 S CA -0.580 57.585 58.200 -0.059 0.000 0.937 617 S CB 2.341 65.466 63.200 -0.125 0.000 1.150 617 S HN 0.583 nan 8.310 nan 0.000 0.521 618 Y N -1.120 119.102 120.300 -0.131 0.000 2.655 618 Y HA 0.826 5.377 4.550 0.001 0.000 0.336 618 Y C -1.874 173.958 175.900 -0.113 0.000 1.154 618 Y CA -0.975 57.053 58.100 -0.122 0.000 1.055 618 Y CB 1.312 39.704 38.460 -0.113 0.000 1.295 618 Y HN 0.666 nan 8.280 nan 0.000 0.465 619 D N 1.412 121.727 120.400 -0.143 0.000 2.896 619 D HA 0.501 5.141 4.640 0.001 0.000 0.241 619 D C -2.231 174.008 176.300 -0.103 0.000 1.188 619 D CA -0.210 53.659 54.000 -0.218 0.000 0.879 619 D CB 2.232 42.974 40.800 -0.096 0.000 1.553 619 D HN 0.703 nan 8.370 nan 0.000 0.515 620 L N 3.238 124.415 121.223 -0.076 0.000 2.406 620 L HA 0.508 4.849 4.340 0.001 0.000 0.270 620 L C -1.472 175.407 176.870 0.015 0.000 0.982 620 L CA -0.075 54.767 54.840 0.003 0.000 0.843 620 L CB 1.425 43.524 42.059 0.066 0.000 1.225 620 L HN 0.449 nan 8.230 nan 0.000 0.412 621 Q N 2.747 122.618 119.800 0.118 0.000 2.389 621 Q HA 0.438 4.779 4.340 0.001 0.000 0.277 621 Q C -1.002 175.113 176.000 0.192 0.000 1.082 621 Q CA -0.903 54.991 55.803 0.152 0.000 0.810 621 Q CB 2.292 31.161 28.738 0.219 0.000 1.374 621 Q HN 0.774 nan 8.270 nan 0.000 0.422 622 N N -0.448 118.360 118.700 0.180 0.000 2.530 622 N HA 0.460 5.201 4.740 0.001 0.000 0.277 622 N C -0.390 175.233 175.510 0.188 0.000 1.168 622 N CA -0.396 52.786 53.050 0.220 0.000 0.979 622 N CB 1.147 39.795 38.487 0.269 0.000 1.141 622 N HN 0.621 nan 8.380 nan 0.000 0.459 623 T N -2.575 112.077 114.554 0.164 0.000 2.773 623 T HA 0.298 4.649 4.350 0.001 0.000 0.278 623 T C 1.140 175.788 174.700 -0.087 0.000 1.011 623 T CA -0.993 61.119 62.100 0.021 0.000 1.014 623 T CB 0.494 69.363 68.868 0.002 0.000 1.293 623 T HN 0.631 nan 8.240 nan 0.000 0.554 624 I N -2.005 118.326 120.570 -0.398 0.000 3.111 624 I HA 0.168 4.339 4.170 0.001 0.000 0.272 624 I C 1.097 177.116 176.117 -0.164 0.000 1.268 624 I CA 0.655 61.519 61.300 -0.728 0.000 1.467 624 I CB -0.441 37.005 38.000 -0.924 0.000 1.087 624 I HN 0.615 nan 8.210 nan 0.000 0.467 625 Y N 1.176 121.506 120.300 0.051 0.000 2.445 625 Y HA 0.502 5.052 4.550 0.001 0.000 0.247 625 Y C 1.551 177.566 175.900 0.192 0.000 1.129 625 Y CA -0.244 57.935 58.100 0.131 0.000 1.251 625 Y CB 1.132 39.652 38.460 0.100 0.000 1.176 625 Y HN 0.373 nan 8.280 nan 0.000 0.522 626 G N 0.417 109.401 108.800 0.306 0.000 2.341 626 G HA2 0.108 4.068 3.960 0.001 0.000 0.059 626 G HA3 0.108 4.068 3.960 0.001 0.000 0.059 626 G C -1.164 173.911 174.900 0.291 0.000 0.897 626 G CA -0.786 44.505 45.100 0.319 0.000 1.142 626 G HN -0.075 nan 8.290 nan 0.000 0.433 627 M N 0.130 119.919 119.600 0.315 0.000 2.530 627 M HA 0.630 5.110 4.480 0.001 0.000 0.307 627 M C -1.571 175.000 176.300 0.452 0.000 1.161 627 M CA -0.776 54.731 55.300 0.345 0.000 0.903 627 M CB 2.952 35.724 32.600 0.287 0.000 1.711 627 M HN 0.571 nan 8.290 nan 0.000 0.451 628 Y N 3.298 123.753 120.300 0.258 0.000 2.376 628 Y HA 0.727 5.277 4.550 0.001 0.000 0.340 628 Y C -2.071 173.983 175.900 0.256 0.000 0.965 628 Y CA -1.179 57.077 58.100 0.260 0.000 1.078 628 Y CB 1.276 39.857 38.460 0.203 0.000 1.193 628 Y HN 0.614 nan 8.280 nan 0.000 0.452 629 L N 6.297 127.321 121.223 -0.332 0.000 2.436 629 L HA 0.637 4.978 4.340 0.001 0.000 0.268 629 L C -1.655 174.945 176.870 -0.449 0.000 0.974 629 L CA -0.123 54.550 54.840 -0.278 0.000 0.826 629 L CB 1.834 43.982 42.059 0.148 0.000 1.291 629 L HN 0.739 nan 8.230 nan 0.000 0.406 630 S N 4.177 119.621 115.700 -0.427 0.000 2.672 630 S HA 0.713 5.184 4.470 0.001 0.000 0.291 630 S C -1.309 173.248 174.600 -0.073 0.000 1.145 630 S CA -0.365 57.658 58.200 -0.296 0.000 1.013 630 S CB 1.533 64.507 63.200 -0.377 0.000 1.017 630 S HN 0.402 nan 8.310 nan 0.000 0.487 631 V N 6.185 126.093 119.914 -0.011 0.000 2.384 631 V HA 0.568 4.688 4.120 0.001 0.000 0.287 631 V C -0.157 175.920 176.094 -0.028 0.000 1.020 631 V CA -0.556 61.760 62.300 0.025 0.000 0.850 631 V CB 1.437 33.295 31.823 0.059 0.000 0.987 631 V HN 0.825 nan 8.190 nan 0.000 0.436 632 K N 2.599 122.967 120.400 -0.052 0.000 2.400 632 K HA 0.914 5.234 4.320 0.001 0.000 0.246 632 K C 0.201 176.727 176.600 -0.122 0.000 0.995 632 K CA -0.237 55.992 56.287 -0.096 0.000 0.840 632 K CB 2.482 34.910 32.500 -0.119 0.000 1.293 632 K HN 0.991 nan 8.250 nan 0.000 0.445 633 G N 0.127 108.825 108.800 -0.170 0.000 2.352 633 G HA2 -0.149 3.812 3.960 0.001 0.000 0.324 633 G HA3 -0.149 3.812 3.960 0.001 0.000 0.324 633 G C -1.572 173.201 174.900 -0.211 0.000 1.249 633 G CA -1.047 43.889 45.100 -0.275 0.000 1.053 633 G HN 0.346 nan 8.290 nan 0.000 0.492 634 Y N 2.363 122.657 120.300 -0.010 0.000 2.717 634 Y HA 0.122 4.672 4.550 0.001 0.000 0.330 634 Y C 2.252 178.137 175.900 -0.026 0.000 1.217 634 Y CA 0.459 58.553 58.100 -0.011 0.000 1.506 634 Y CB 0.416 38.895 38.460 0.031 0.000 1.268 634 Y HN 0.637 nan 8.280 nan 0.000 0.561 635 N N 1.142 119.910 118.700 0.113 0.000 2.331 635 N HA -0.206 4.534 4.740 0.001 0.000 0.180 635 N C 1.244 176.781 175.510 0.044 0.000 1.019 635 N CA 1.210 54.295 53.050 0.058 0.000 0.881 635 N CB -0.249 38.261 38.487 0.039 0.000 0.972 635 N HN 0.760 nan 8.380 nan 0.000 0.435 636 D N 1.724 122.129 120.400 0.009 0.000 2.204 636 D HA -0.202 4.438 4.640 0.001 0.000 0.189 636 D C 0.878 177.185 176.300 0.012 0.000 1.006 636 D CA 1.793 55.765 54.000 -0.046 0.000 0.855 636 D CB -0.079 40.622 40.800 -0.165 0.000 0.946 636 D HN 0.395 nan 8.370 nan 0.000 0.448 637 K N -0.432 120.012 120.400 0.073 0.000 2.399 637 K HA 0.166 4.487 4.320 0.001 0.000 0.204 637 K C 1.890 178.580 176.600 0.151 0.000 1.023 637 K CA -0.201 56.166 56.287 0.133 0.000 1.127 637 K CB 0.510 33.157 32.500 0.246 0.000 0.856 637 K HN 0.279 nan 8.250 nan 0.000 0.514 638 Q N 0.697 120.556 119.800 0.098 0.000 2.096 638 Q HA -0.133 4.207 4.340 0.001 0.000 0.204 638 Q C -1.005 175.044 176.000 0.081 0.000 0.982 638 Q CA 1.459 57.308 55.803 0.077 0.000 0.850 638 Q CB -0.905 27.869 28.738 0.060 0.000 0.901 638 Q HN 0.198 nan 8.270 nan 0.000 0.422 639 P HA -0.179 nan 4.420 nan 0.000 0.215 639 P C 1.163 178.506 177.300 0.073 0.000 1.157 639 P CA 1.204 64.343 63.100 0.066 0.000 0.868 639 P CB -0.091 31.641 31.700 0.053 0.000 0.788 640 I N -1.602 119.031 120.570 0.106 0.000 2.208 640 I HA -0.246 3.925 4.170 0.001 0.000 0.245 640 I C 2.241 178.478 176.117 0.199 0.000 1.097 640 I CA 1.207 62.592 61.300 0.142 0.000 1.363 640 I CB -0.649 37.450 38.000 0.165 0.000 1.051 640 I HN -0.042 nan 8.210 nan 0.000 0.413 641 L N 0.398 121.753 121.223 0.221 0.000 2.072 641 L HA -0.139 4.201 4.340 0.001 0.000 0.205 641 L C 2.222 179.089 176.870 -0.006 0.000 1.079 641 L CA 1.572 56.505 54.840 0.156 0.000 0.752 641 L CB -0.530 41.535 42.059 0.010 0.000 0.906 641 L HN 0.159 nan 8.230 nan 0.000 0.436 642 L N -0.293 120.919 121.223 -0.019 0.000 1.989 642 L HA -0.291 4.049 4.340 0.001 0.000 0.211 642 L C 2.650 179.464 176.870 -0.094 0.000 1.071 642 L CA 2.141 56.936 54.840 -0.076 0.000 0.749 642 L CB -0.361 41.687 42.059 -0.020 0.000 0.890 642 L HN 0.408 nan 8.230 nan 0.000 0.431 643 K N 0.124 120.499 120.400 -0.042 0.000 2.147 643 K HA -0.282 4.039 4.320 0.001 0.000 0.205 643 K C 2.155 178.704 176.600 -0.085 0.000 1.049 643 K CA 1.761 58.017 56.287 -0.050 0.000 0.936 643 K CB 0.018 32.510 32.500 -0.013 0.000 0.722 643 K HN 0.045 nan 8.250 nan 0.000 0.446 644 K N 1.250 121.607 120.400 -0.073 0.000 2.025 644 K HA -0.065 4.256 4.320 0.001 0.000 0.207 644 K C 1.747 178.227 176.600 -0.200 0.000 1.049 644 K CA 1.576 57.780 56.287 -0.138 0.000 0.933 644 K CB -0.284 32.154 32.500 -0.104 0.000 0.714 644 K HN 0.230 nan 8.250 nan 0.000 0.438 645 I N 0.746 121.183 120.570 -0.221 0.000 2.179 645 I HA -0.262 3.908 4.170 0.001 0.000 0.242 645 I C 1.890 177.861 176.117 -0.245 0.000 1.088 645 I CA 0.854 61.980 61.300 -0.290 0.000 1.357 645 I CB -0.331 37.433 38.000 -0.394 0.000 1.051 645 I HN 0.136 nan 8.210 nan 0.000 0.409 646 I N 0.738 121.182 120.570 -0.210 0.000 2.226 646 I HA -0.227 3.944 4.170 0.001 0.000 0.245 646 I C 2.464 178.476 176.117 -0.175 0.000 1.100 646 I CA 1.641 62.828 61.300 -0.188 0.000 1.374 646 I CB -1.376 36.535 38.000 -0.147 0.000 1.057 646 I HN 0.354 nan 8.210 nan 0.000 0.413 647 E N 0.800 120.887 120.200 -0.188 0.000 2.072 647 E HA -0.238 4.112 4.350 0.001 0.000 0.191 647 E C 2.104 178.560 176.600 -0.240 0.000 0.985 647 E CA 0.978 57.219 56.400 -0.266 0.000 0.801 647 E CB -0.128 29.406 29.700 -0.277 0.000 0.750 647 E HN 0.397 nan 8.360 nan 0.000 0.452 648 K N 0.467 120.756 120.400 -0.185 0.000 2.365 648 K HA -0.005 4.315 4.320 0.001 0.000 0.199 648 K C 2.026 178.594 176.600 -0.053 0.000 1.045 648 K CA 0.386 56.609 56.287 -0.107 0.000 0.962 648 K CB 0.104 32.529 32.500 -0.125 0.000 0.759 648 K HN 0.062 nan 8.250 nan 0.000 0.469 649 M N -0.603 118.926 119.600 -0.118 0.000 2.254 649 M HA -0.046 4.434 4.480 0.001 0.000 0.265 649 M C 1.475 177.801 176.300 0.045 0.000 1.066 649 M CA 1.359 56.618 55.300 -0.067 0.000 1.123 649 M CB 0.230 32.728 32.600 -0.169 0.000 1.388 649 M HN 0.203 nan 8.290 nan 0.000 0.425 650 A N -1.082 121.720 122.820 -0.031 0.000 2.348 650 A HA 0.107 4.427 4.320 0.001 0.000 0.224 650 A C 1.286 178.869 177.584 -0.002 0.000 1.227 650 A CA 0.793 52.820 52.037 -0.015 0.000 0.885 650 A CB -0.342 18.647 19.000 -0.018 0.000 0.933 650 A HN 0.524 nan 8.150 nan 0.000 0.506 651 T N -4.443 110.109 114.554 -0.003 0.000 3.332 651 T HA 0.307 4.657 4.350 0.001 0.000 0.304 651 T C -0.105 174.634 174.700 0.065 0.000 0.971 651 T CA -0.471 61.625 62.100 -0.006 0.000 0.954 651 T CB -0.732 68.069 68.868 -0.112 0.000 1.175 651 T HN 0.068 nan 8.240 nan 0.000 0.519 652 F N 3.576 123.504 119.950 -0.036 0.000 2.607 652 F HA 0.330 4.857 4.527 0.001 0.000 0.374 652 F C 0.224 176.018 175.800 -0.009 0.000 1.104 652 F CA -0.588 57.412 58.000 -0.000 0.000 1.296 652 F CB 0.375 39.436 39.000 0.102 0.000 1.085 652 F HN 0.224 nan 8.300 nan 0.000 0.584 653 E N 7.360 127.149 120.200 -0.684 0.000 2.182 653 E HA 0.291 4.641 4.350 0.001 0.000 0.258 653 E C -0.630 175.421 176.600 -0.915 0.000 0.879 653 E CA -0.597 55.441 56.400 -0.604 0.000 0.754 653 E CB 1.561 31.086 29.700 -0.292 0.000 1.162 653 E HN 0.493 nan 8.360 nan 0.000 0.419 654 I N 2.370 122.468 120.570 -0.787 0.000 2.556 654 I HA -0.014 4.157 4.170 0.001 0.000 0.284 654 I C 0.637 176.605 176.117 -0.248 0.000 1.114 654 I CA 0.114 61.094 61.300 -0.534 0.000 1.418 654 I CB 0.350 38.169 38.000 -0.301 0.000 1.394 654 I HN 0.427 nan 8.210 nan 0.000 0.552 655 D N 6.583 126.914 120.400 -0.115 0.000 2.313 655 D HA 0.010 4.651 4.640 0.001 0.000 0.239 655 D C 0.890 177.220 176.300 0.050 0.000 1.142 655 D CA -0.143 53.837 54.000 -0.034 0.000 0.847 655 D CB 1.236 42.036 40.800 -0.001 0.000 1.082 655 D HN 0.673 nan 8.370 nan 0.000 0.480 656 E N 3.774 123.997 120.200 0.039 0.000 2.097 656 E HA -0.256 4.095 4.350 0.001 0.000 0.196 656 E C 1.523 178.234 176.600 0.185 0.000 1.000 656 E CA 1.245 57.720 56.400 0.126 0.000 0.804 656 E CB 0.283 30.025 29.700 0.070 0.000 0.740 656 E HN 0.452 nan 8.360 nan 0.000 0.454 657 K N -0.060 120.398 120.400 0.097 0.000 2.025 657 K HA -0.124 4.196 4.320 0.001 0.000 0.207 657 K C 2.350 178.996 176.600 0.077 0.000 1.049 657 K CA 0.919 57.248 56.287 0.070 0.000 0.933 657 K CB 0.072 32.587 32.500 0.024 0.000 0.714 657 K HN -0.020 nan 8.250 nan 0.000 0.438 658 R N 0.047 120.600 120.500 0.089 0.000 2.091 658 R HA -0.160 4.180 4.340 0.001 0.000 0.238 658 R C 2.225 178.604 176.300 0.133 0.000 1.136 658 R CA 1.340 57.497 56.100 0.094 0.000 0.959 658 R CB -0.777 29.588 30.300 0.108 0.000 0.856 658 R HN 0.302 nan 8.270 nan 0.000 0.437 659 F N 2.121 122.098 119.950 0.045 0.000 2.095 659 F HA -0.206 4.322 4.527 0.001 0.000 0.298 659 F C 2.224 178.059 175.800 0.058 0.000 1.104 659 F CA 1.759 59.794 58.000 0.058 0.000 1.232 659 F CB -0.233 38.796 39.000 0.048 0.000 0.987 659 F HN -0.044 nan 8.300 nan 0.000 0.475 660 E N 0.684 120.793 120.200 -0.151 0.000 2.047 660 E HA -0.147 4.204 4.350 0.001 0.000 0.191 660 E C 2.254 178.758 176.600 -0.160 0.000 0.987 660 E CA 1.832 58.089 56.400 -0.237 0.000 0.799 660 E CB -0.453 29.229 29.700 -0.031 0.000 0.752 660 E HN 0.561 nan 8.360 nan 0.000 0.449 661 I N 0.185 120.718 120.570 -0.062 0.000 2.179 661 I HA -0.270 3.901 4.170 0.001 0.000 0.242 661 I C 2.139 178.242 176.117 -0.024 0.000 1.088 661 I CA 1.076 62.362 61.300 -0.024 0.000 1.357 661 I CB -0.252 37.753 38.000 0.008 0.000 1.051 661 I HN 0.151 nan 8.210 nan 0.000 0.409 662 I N 0.474 121.027 120.570 -0.029 0.000 2.439 662 I HA -0.256 3.915 4.170 0.001 0.000 0.251 662 I C 2.564 178.697 176.117 0.027 0.000 1.139 662 I CA 1.106 62.410 61.300 0.007 0.000 1.438 662 I CB -0.303 37.705 38.000 0.014 0.000 1.085 662 I HN 0.185 nan 8.210 nan 0.000 0.427 663 K N 0.941 121.280 120.400 -0.102 0.000 2.097 663 K HA -0.229 4.091 4.320 0.001 0.000 0.206 663 K C 2.221 178.823 176.600 0.003 0.000 1.049 663 K CA 1.281 57.525 56.287 -0.073 0.000 0.933 663 K CB -0.004 32.266 32.500 -0.382 0.000 0.717 663 K HN 0.115 nan 8.250 nan 0.000 0.442 664 E N 0.446 120.622 120.200 -0.040 0.000 2.150 664 E HA -0.140 4.210 4.350 0.001 0.000 0.193 664 E C 1.647 178.261 176.600 0.023 0.000 0.985 664 E CA 1.173 57.562 56.400 -0.018 0.000 0.814 664 E CB 0.003 29.688 29.700 -0.026 0.000 0.752 664 E HN 0.401 nan 8.360 nan 0.000 0.466 665 A N 0.300 123.156 122.820 0.060 0.000 1.897 665 A HA -0.172 4.148 4.320 0.001 0.000 0.215 665 A C 2.102 179.783 177.584 0.161 0.000 1.181 665 A CA 1.245 53.336 52.037 0.091 0.000 0.620 665 A CB -0.833 18.223 19.000 0.093 0.000 0.821 665 A HN 0.424 nan 8.150 nan 0.000 0.443 666 Y N -0.054 120.282 120.300 0.059 0.000 2.181 666 Y HA -0.182 4.368 4.550 0.001 0.000 0.288 666 Y C 2.193 178.095 175.900 0.003 0.000 1.146 666 Y CA 1.974 60.120 58.100 0.075 0.000 1.164 666 Y CB -0.518 38.042 38.460 0.167 0.000 0.982 666 Y HN 0.344 nan 8.280 nan 0.000 0.515 667 M N 0.536 120.062 119.600 -0.123 0.000 2.086 667 M HA -0.147 4.333 4.480 0.001 0.000 0.261 667 M C 2.306 178.522 176.300 -0.139 0.000 1.067 667 M CA 1.907 57.074 55.300 -0.222 0.000 1.116 667 M CB -0.606 31.924 32.600 -0.118 0.000 1.348 667 M HN 0.162 nan 8.290 nan 0.000 0.407 668 R N -0.922 119.546 120.500 -0.052 0.000 2.075 668 R HA -0.108 4.232 4.340 0.001 0.000 0.232 668 R C 2.459 178.754 176.300 -0.008 0.000 1.126 668 R CA 1.679 57.766 56.100 -0.021 0.000 0.963 668 R CB -0.564 29.739 30.300 0.005 0.000 0.858 668 R HN 0.565 nan 8.270 nan 0.000 0.435 669 S N 0.146 115.855 115.700 0.015 0.000 2.370 669 S HA -0.127 4.343 4.470 0.001 0.000 0.226 669 S C 1.834 176.431 174.600 -0.004 0.000 1.033 669 S CA 1.293 59.520 58.200 0.045 0.000 1.011 669 S CB -0.197 63.083 63.200 0.134 0.000 0.852 669 S HN 0.314 nan 8.310 nan 0.000 0.457 670 L N 1.434 122.587 121.223 -0.116 0.000 2.017 670 L HA -0.106 4.235 4.340 0.001 0.000 0.208 670 L C 2.500 179.342 176.870 -0.047 0.000 1.073 670 L CA 1.273 56.024 54.840 -0.149 0.000 0.745 670 L CB -0.730 41.142 42.059 -0.312 0.000 0.894 670 L HN 0.304 nan 8.230 nan 0.000 0.432 671 N N 0.428 119.104 118.700 -0.041 0.000 2.223 671 N HA -0.175 4.565 4.740 0.001 0.000 0.185 671 N C 1.429 176.967 175.510 0.045 0.000 1.016 671 N CA 1.206 54.259 53.050 0.004 0.000 0.863 671 N CB -0.556 37.926 38.487 -0.009 0.000 0.983 671 N HN 0.458 nan 8.380 nan 0.000 0.429 672 N N -0.134 118.594 118.700 0.047 0.000 2.585 672 N HA -0.110 4.630 4.740 0.001 0.000 0.188 672 N C 1.110 176.674 175.510 0.090 0.000 1.102 672 N CA 0.011 53.097 53.050 0.059 0.000 0.920 672 N CB -0.152 38.368 38.487 0.055 0.000 0.963 672 N HN 0.142 nan 8.380 nan 0.000 0.447 673 F N 2.702 122.625 119.950 -0.044 0.000 2.365 673 F HA -0.054 4.474 4.527 0.001 0.000 0.300 673 F C 2.294 178.137 175.800 0.071 0.000 1.090 673 F CA 0.829 58.792 58.000 -0.061 0.000 1.408 673 F CB 0.011 38.874 39.000 -0.229 0.000 1.060 673 F HN 0.004 nan 8.300 nan 0.000 0.534 674 R N 0.348 120.879 120.500 0.052 0.000 2.237 674 R HA 0.025 4.365 4.340 0.001 0.000 0.219 674 R C 1.698 178.034 176.300 0.061 0.000 1.080 674 R CA 1.169 57.324 56.100 0.092 0.000 0.995 674 R CB -0.843 29.515 30.300 0.096 0.000 0.875 674 R HN 0.250 nan 8.270 nan 0.000 0.462 675 A N 1.001 123.817 122.820 -0.007 0.000 2.275 675 A HA 0.105 4.425 4.320 0.001 0.000 0.212 675 A C 0.090 177.693 177.584 0.031 0.000 1.201 675 A CA -0.176 51.850 52.037 -0.019 0.000 0.843 675 A CB 0.068 19.061 19.000 -0.012 0.000 0.873 675 A HN 0.213 nan 8.150 nan 0.000 0.492 676 E N 0.425 120.529 120.200 -0.159 0.000 2.392 676 E HA 0.176 4.526 4.350 0.001 0.000 0.259 676 E C -0.089 176.216 176.600 -0.491 0.000 1.108 676 E CA -0.228 55.995 56.400 -0.296 0.000 0.916 676 E CB 0.278 29.646 29.700 -0.553 0.000 0.989 676 E HN 0.356 nan 8.360 nan 0.000 0.432 677 Q N 1.733 121.198 119.800 -0.557 0.000 2.386 677 Q HA -0.009 4.332 4.340 0.001 0.000 0.282 677 Q C -1.710 173.881 176.000 -0.681 0.000 1.050 677 Q CA -0.552 54.790 55.803 -0.768 0.000 0.918 677 Q CB 0.364 28.809 28.738 -0.487 0.000 1.266 677 Q HN 0.158 nan 8.270 nan 0.000 0.423 678 P HA -0.225 nan 4.420 nan 0.000 0.216 678 P C 0.316 177.580 177.300 -0.060 0.000 1.154 678 P CA 2.032 64.998 63.100 -0.222 0.000 0.865 678 P CB -0.003 31.663 31.700 -0.057 0.000 0.789 679 H N -1.432 117.609 119.070 -0.049 0.000 2.491 679 H HA -0.006 4.551 4.556 0.001 0.000 0.290 679 H C 1.703 177.069 175.328 0.062 0.000 1.050 679 H CA 0.888 56.960 56.048 0.040 0.000 1.309 679 H CB -1.095 28.686 29.762 0.031 0.000 1.392 679 H HN 0.213 nan 8.280 nan 0.000 0.554 680 Q N 0.122 119.562 119.800 -0.601 0.000 2.187 680 Q HA -0.074 4.266 4.340 0.001 0.000 0.199 680 Q C 1.673 177.719 176.000 0.076 0.000 0.957 680 Q CA 1.094 56.717 55.803 -0.300 0.000 0.857 680 Q CB -0.095 28.413 28.738 -0.383 0.000 0.929 680 Q HN 0.778 nan 8.270 nan 0.000 0.453 681 H N 0.350 119.340 119.070 -0.133 0.000 2.357 681 H HA -0.033 4.524 4.556 0.001 0.000 0.301 681 H C 2.229 177.605 175.328 0.080 0.000 1.082 681 H CA 0.504 56.515 56.048 -0.062 0.000 1.342 681 H CB 0.194 29.934 29.762 -0.037 0.000 1.389 681 H HN 0.307 nan 8.280 nan 0.000 0.511 682 A N 1.258 124.280 122.820 0.337 0.000 1.883 682 A HA -0.232 4.088 4.320 0.001 0.000 0.217 682 A C 2.415 180.174 177.584 0.291 0.000 1.186 682 A CA 1.775 54.040 52.037 0.380 0.000 0.624 682 A CB -0.674 18.517 19.000 0.319 0.000 0.822 682 A HN 0.295 nan 8.150 nan 0.000 0.444 683 M N -2.355 117.375 119.600 0.218 0.000 2.117 683 M HA -0.120 4.361 4.480 0.001 0.000 0.262 683 M C 2.262 178.648 176.300 0.144 0.000 1.065 683 M CA 1.968 57.364 55.300 0.159 0.000 1.114 683 M CB -0.534 32.144 32.600 0.129 0.000 1.361 683 M HN 0.620 nan 8.290 nan 0.000 0.408 684 Y N 0.386 120.699 120.300 0.021 0.000 2.128 684 Y HA -0.295 4.255 4.550 0.001 0.000 0.284 684 Y C 1.976 177.835 175.900 -0.069 0.000 1.154 684 Y CA 1.641 59.695 58.100 -0.077 0.000 1.149 684 Y CB -0.621 37.779 38.460 -0.100 0.000 0.976 684 Y HN 0.113 nan 8.280 nan 0.000 0.505 685 Y N -0.594 119.714 120.300 0.012 0.000 2.224 685 Y HA -0.184 4.366 4.550 0.001 0.000 0.289 685 Y C 2.361 178.153 175.900 -0.179 0.000 1.146 685 Y CA 1.267 59.279 58.100 -0.146 0.000 1.182 685 Y CB -1.136 37.422 38.460 0.164 0.000 0.983 685 Y HN 0.276 nan 8.280 nan 0.000 0.524 686 L N 0.403 121.684 121.223 0.097 0.000 2.046 686 L HA -0.147 4.194 4.340 0.001 0.000 0.208 686 L C 2.539 179.367 176.870 -0.070 0.000 1.077 686 L CA 1.680 56.532 54.840 0.021 0.000 0.747 686 L CB -0.639 41.447 42.059 0.045 0.000 0.896 686 L HN 0.085 nan 8.230 nan 0.000 0.432 687 R N -0.762 119.678 120.500 -0.101 0.000 2.081 687 R HA -0.129 4.211 4.340 0.001 0.000 0.235 687 R C 2.275 178.475 176.300 -0.166 0.000 1.131 687 R CA 1.674 57.697 56.100 -0.128 0.000 0.960 687 R CB -0.303 29.928 30.300 -0.116 0.000 0.856 687 R HN 0.434 nan 8.270 nan 0.000 0.436 688 L N 0.454 121.527 121.223 -0.250 0.000 2.083 688 L HA -0.197 4.143 4.340 0.001 0.000 0.209 688 L C 2.246 179.005 176.870 -0.184 0.000 1.083 688 L CA 0.602 55.282 54.840 -0.268 0.000 0.752 688 L CB -0.322 41.509 42.059 -0.379 0.000 0.899 688 L HN 0.216 nan 8.230 nan 0.000 0.433 689 L N -1.013 120.115 121.223 -0.158 0.000 2.109 689 L HA -0.111 4.230 4.340 0.001 0.000 0.207 689 L C 2.237 179.173 176.870 0.110 0.000 1.086 689 L CA 1.696 56.501 54.840 -0.058 0.000 0.760 689 L CB -0.462 41.493 42.059 -0.172 0.000 0.910 689 L HN 0.247 nan 8.230 nan 0.000 0.437 690 M N -1.936 117.687 119.600 0.039 0.000 2.509 690 M HA 0.135 4.615 4.480 0.001 0.000 0.250 690 M C 0.411 176.721 176.300 0.016 0.000 1.132 690 M CA 0.285 55.629 55.300 0.074 0.000 1.080 690 M CB -0.800 31.843 32.600 0.072 0.000 1.408 690 M HN 0.022 nan 8.290 nan 0.000 0.484 691 T N 0.637 115.160 114.554 -0.051 0.000 2.837 691 T HA 0.142 4.493 4.350 0.001 0.000 0.285 691 T C 1.211 175.823 174.700 -0.146 0.000 0.984 691 T CA -0.386 61.663 62.100 -0.084 0.000 1.049 691 T CB 2.412 71.202 68.868 -0.130 0.000 0.947 691 T HN 0.273 nan 8.240 nan 0.000 0.472 692 E N 2.014 122.138 120.200 -0.126 0.000 2.048 692 E HA -0.139 4.211 4.350 0.001 0.000 0.202 692 E C -0.043 176.355 176.600 -0.337 0.000 1.021 692 E CA 1.208 57.509 56.400 -0.165 0.000 0.825 692 E CB 0.214 29.889 29.700 -0.041 0.000 0.756 692 E HN 0.385 nan 8.360 nan 0.000 0.454 693 V N -0.116 119.427 119.914 -0.618 0.000 2.531 693 V HA 0.666 4.786 4.120 0.001 0.000 0.301 693 V C -0.756 174.906 176.094 -0.719 0.000 1.034 693 V CA -0.233 61.595 62.300 -0.788 0.000 0.865 693 V CB 1.501 32.733 31.823 -0.985 0.000 0.995 693 V HN 0.292 nan 8.190 nan 0.000 0.424 694 A N 4.309 126.713 122.820 -0.694 0.000 2.509 694 A HA 0.608 4.928 4.320 0.001 0.000 0.282 694 A C -1.410 175.921 177.584 -0.422 0.000 1.054 694 A CA -0.623 51.153 52.037 -0.434 0.000 0.820 694 A CB 0.573 19.413 19.000 -0.267 0.000 1.333 694 A HN 0.782 nan 8.150 nan 0.000 0.409 695 W N 2.579 123.860 121.300 -0.031 0.000 2.266 695 W HA 0.444 5.105 4.660 0.001 0.000 0.317 695 W C 1.283 177.797 176.519 -0.009 0.000 1.310 695 W CA 0.275 57.572 57.345 -0.081 0.000 1.207 695 W CB 1.286 30.640 29.460 -0.178 0.000 1.199 695 W HN 0.781 nan 8.180 nan 0.000 0.544 696 T N -0.414 114.279 114.554 0.231 0.000 2.816 696 T HA 0.222 4.572 4.350 0.001 0.000 0.282 696 T C 0.967 175.770 174.700 0.172 0.000 0.993 696 T CA -0.569 61.639 62.100 0.181 0.000 0.994 696 T CB 1.236 70.196 68.868 0.154 0.000 1.025 696 T HN 0.528 nan 8.240 nan 0.000 0.529 697 K N 0.141 120.637 120.400 0.159 0.000 2.211 697 K HA -0.070 4.250 4.320 0.001 0.000 0.203 697 K C 1.659 178.265 176.600 0.010 0.000 1.050 697 K CA 1.225 57.520 56.287 0.013 0.000 0.945 697 K CB -0.057 32.364 32.500 -0.132 0.000 0.732 697 K HN 0.574 nan 8.250 nan 0.000 0.451 698 D N 1.104 121.543 120.400 0.065 0.000 2.183 698 D HA -0.111 4.530 4.640 0.001 0.000 0.203 698 D C 1.601 177.915 176.300 0.023 0.000 0.969 698 D CA 1.048 55.075 54.000 0.044 0.000 0.842 698 D CB 0.120 40.967 40.800 0.078 0.000 0.957 698 D HN 0.316 nan 8.370 nan 0.000 0.484 699 E N 0.340 120.568 120.200 0.047 0.000 2.107 699 E HA -0.061 4.289 4.350 0.001 0.000 0.191 699 E C 2.359 178.935 176.600 -0.041 0.000 0.982 699 E CA 0.354 56.765 56.400 0.018 0.000 0.809 699 E CB 0.021 29.770 29.700 0.081 0.000 0.756 699 E HN 0.248 nan 8.360 nan 0.000 0.459 700 L N 1.354 122.560 121.223 -0.028 0.000 2.027 700 L HA -0.193 4.148 4.340 0.001 0.000 0.206 700 L C 2.389 179.187 176.870 -0.120 0.000 1.074 700 L CA 1.389 56.189 54.840 -0.066 0.000 0.745 700 L CB -0.453 41.587 42.059 -0.032 0.000 0.898 700 L HN 0.090 nan 8.230 nan 0.000 0.433 701 K N -0.125 120.194 120.400 -0.135 0.000 2.217 701 K HA -0.186 4.135 4.320 0.001 0.000 0.202 701 K C 1.859 178.405 176.600 -0.089 0.000 1.051 701 K CA 1.251 57.448 56.287 -0.150 0.000 0.952 701 K CB -0.198 32.220 32.500 -0.136 0.000 0.736 701 K HN 0.150 nan 8.250 nan 0.000 0.453 702 E N 2.346 122.509 120.200 -0.063 0.000 2.051 702 E HA -0.128 4.223 4.350 0.001 0.000 0.192 702 E C 1.753 178.322 176.600 -0.052 0.000 0.991 702 E CA 1.631 58.004 56.400 -0.045 0.000 0.799 702 E CB -0.267 29.414 29.700 -0.032 0.000 0.748 702 E HN 0.319 nan 8.360 nan 0.000 0.449 703 A N -0.032 122.746 122.820 -0.070 0.000 2.235 703 A HA 0.114 4.434 4.320 0.001 0.000 0.208 703 A C 1.837 179.392 177.584 -0.048 0.000 1.172 703 A CA 0.494 52.488 52.037 -0.073 0.000 0.786 703 A CB -0.451 18.476 19.000 -0.122 0.000 0.804 703 A HN 0.366 nan 8.150 nan 0.000 0.479 704 L N -0.379 120.817 121.223 -0.046 0.000 2.270 704 L HA 0.058 4.398 4.340 0.001 0.000 0.210 704 L C 0.856 177.727 176.870 0.000 0.000 1.104 704 L CA 1.818 56.648 54.840 -0.016 0.000 0.804 704 L CB -0.322 41.697 42.059 -0.067 0.000 0.937 704 L HN 0.357 nan 8.230 nan 0.000 0.450 705 D N -0.960 119.432 120.400 -0.013 0.000 2.363 705 D HA -0.092 4.549 4.640 0.001 0.000 0.226 705 D C 1.045 177.354 176.300 0.016 0.000 1.020 705 D CA 0.551 54.552 54.000 0.001 0.000 0.892 705 D CB 0.106 40.901 40.800 -0.007 0.000 0.900 705 D HN 0.329 nan 8.370 nan 0.000 0.531 706 D N -0.558 119.849 120.400 0.012 0.000 2.338 706 D HA 0.016 4.657 4.640 0.001 0.000 0.208 706 D C 0.125 176.446 176.300 0.035 0.000 0.997 706 D CA 0.172 54.180 54.000 0.014 0.000 0.880 706 D CB 0.544 41.338 40.800 -0.010 0.000 0.980 706 D HN -0.040 nan 8.370 nan 0.000 0.509 707 V N 2.174 122.122 119.914 0.057 0.000 2.425 707 V HA 0.170 4.291 4.120 0.001 0.000 0.276 707 V C 0.707 176.940 176.094 0.232 0.000 1.017 707 V CA 0.210 62.580 62.300 0.116 0.000 1.062 707 V CB 0.078 31.998 31.823 0.162 0.000 0.997 707 V HN 0.211 nan 8.190 nan 0.000 0.476 708 T N 2.545 117.195 114.554 0.161 0.000 2.912 708 T HA 0.489 4.839 4.350 0.001 0.000 0.288 708 T C 0.690 175.345 174.700 -0.074 0.000 1.030 708 T CA -0.775 61.417 62.100 0.153 0.000 1.020 708 T CB 1.796 70.701 68.868 0.062 0.000 1.056 708 T HN 0.232 nan 8.240 nan 0.000 0.480 709 L N 2.428 123.486 121.223 -0.275 0.000 1.997 709 L HA 0.072 4.413 4.340 0.001 0.000 0.216 709 L C -0.979 175.685 176.870 -0.343 0.000 1.074 709 L CA 2.128 56.554 54.840 -0.690 0.000 0.763 709 L CB -1.763 40.023 42.059 -0.456 0.000 0.890 709 L HN 0.572 nan 8.230 nan 0.000 0.434 710 P HA -0.171 nan 4.420 nan 0.000 0.214 710 P C 1.629 178.880 177.300 -0.082 0.000 1.163 710 P CA 1.583 64.620 63.100 -0.105 0.000 0.883 710 P CB -0.157 31.509 31.700 -0.057 0.000 0.788 711 R N -0.736 119.728 120.500 -0.061 0.000 2.091 711 R HA -0.126 4.215 4.340 0.001 0.000 0.238 711 R C 2.346 178.634 176.300 -0.020 0.000 1.136 711 R CA 1.144 57.227 56.100 -0.029 0.000 0.959 711 R CB -1.312 28.973 30.300 -0.025 0.000 0.856 711 R HN 0.269 nan 8.270 nan 0.000 0.437 712 L N 1.073 122.250 121.223 -0.077 0.000 2.017 712 L HA -0.218 4.122 4.340 0.001 0.000 0.208 712 L C 2.208 179.087 176.870 0.014 0.000 1.073 712 L CA 1.644 56.468 54.840 -0.027 0.000 0.745 712 L CB -0.201 41.765 42.059 -0.154 0.000 0.894 712 L HN 0.168 nan 8.230 nan 0.000 0.432 713 K N -0.417 119.933 120.400 -0.083 0.000 2.103 713 K HA -0.177 4.143 4.320 0.001 0.000 0.207 713 K C 2.013 178.581 176.600 -0.053 0.000 1.048 713 K CA 1.394 57.632 56.287 -0.082 0.000 0.930 713 K CB -0.208 32.223 32.500 -0.114 0.000 0.716 713 K HN 0.385 nan 8.250 nan 0.000 0.444 714 A N 0.900 123.707 122.820 -0.022 0.000 1.968 714 A HA -0.138 4.182 4.320 0.001 0.000 0.217 714 A C 1.931 179.520 177.584 0.007 0.000 1.169 714 A CA 0.856 52.887 52.037 -0.010 0.000 0.638 714 A CB -0.553 18.455 19.000 0.012 0.000 0.812 714 A HN 0.355 nan 8.150 nan 0.000 0.446 715 F N 1.086 120.975 119.950 -0.101 0.000 2.102 715 F HA -0.176 4.351 4.527 0.001 0.000 0.298 715 F C 1.904 177.616 175.800 -0.148 0.000 1.105 715 F CA 1.605 59.547 58.000 -0.096 0.000 1.239 715 F CB -0.379 38.555 39.000 -0.111 0.000 0.991 715 F HN 0.195 nan 8.300 nan 0.000 0.474 716 I N 1.737 122.051 120.570 -0.426 0.000 2.068 716 I HA -0.308 3.862 4.170 0.001 0.000 0.238 716 I C -0.278 175.537 176.117 -0.503 0.000 1.046 716 I CA 2.073 62.973 61.300 -0.666 0.000 1.306 716 I CB -2.239 35.470 38.000 -0.485 0.000 1.023 716 I HN 0.152 nan 8.210 nan 0.000 0.399 717 P HA -0.242 nan 4.420 nan 0.000 0.216 717 P C 1.461 178.614 177.300 -0.244 0.000 1.150 717 P CA 1.856 64.832 63.100 -0.206 0.000 0.843 717 P CB -0.108 31.519 31.700 -0.122 0.000 0.787 718 Q N -0.132 119.479 119.800 -0.314 0.000 2.119 718 Q HA -0.102 4.239 4.340 0.001 0.000 0.201 718 Q C 2.164 177.880 176.000 -0.474 0.000 0.972 718 Q CA 1.041 56.612 55.803 -0.387 0.000 0.847 718 Q CB -1.334 27.165 28.738 -0.399 0.000 0.903 718 Q HN 0.099 nan 8.270 nan 0.000 0.433 719 L N -0.341 120.543 121.223 -0.565 0.000 2.093 719 L HA -0.075 4.266 4.340 0.001 0.000 0.208 719 L C 1.350 178.094 176.870 -0.211 0.000 1.085 719 L CA 1.452 56.031 54.840 -0.435 0.000 0.755 719 L CB -0.489 41.120 42.059 -0.751 0.000 0.904 719 L HN 0.365 nan 8.230 nan 0.000 0.435 720 L N -0.301 120.785 121.223 -0.228 0.000 2.509 720 L HA 0.020 4.360 4.340 0.001 0.000 0.222 720 L C 2.776 179.612 176.870 -0.057 0.000 1.123 720 L CA 1.192 55.964 54.840 -0.114 0.000 0.856 720 L CB -0.673 41.311 42.059 -0.125 0.000 0.985 720 L HN 0.329 nan 8.230 nan 0.000 0.456 721 S N -0.326 115.320 115.700 -0.090 0.000 2.359 721 S HA -0.190 4.280 4.470 0.001 0.000 0.223 721 S C 1.355 175.963 174.600 0.012 0.000 1.039 721 S CA 0.800 58.975 58.200 -0.043 0.000 1.042 721 S CB -0.165 62.978 63.200 -0.095 0.000 0.915 721 S HN 0.279 nan 8.310 nan 0.000 0.439 722 R N 0.224 120.739 120.500 0.026 0.000 2.480 722 R HA 0.834 5.174 4.340 0.001 0.000 0.306 722 R C -1.348 175.049 176.300 0.161 0.000 0.958 722 R CA -0.452 55.705 56.100 0.095 0.000 0.861 722 R CB 1.297 31.658 30.300 0.103 0.000 1.171 722 R HN 0.446 nan 8.270 nan 0.000 0.445 723 L N 1.412 122.757 121.223 0.204 0.000 2.671 723 L HA 0.515 4.855 4.340 0.001 0.000 0.259 723 L C -1.338 175.747 176.870 0.359 0.000 1.021 723 L CA -1.150 53.870 54.840 0.300 0.000 0.871 723 L CB 2.341 44.587 42.059 0.311 0.000 1.472 723 L HN 0.650 nan 8.230 nan 0.000 0.410 724 H N 0.746 120.017 119.070 0.336 0.000 2.806 724 H HA 0.716 5.272 4.556 0.001 0.000 0.367 724 H C -1.686 173.900 175.328 0.430 0.000 1.136 724 H CA -0.469 55.759 56.048 0.300 0.000 1.178 724 H CB 1.698 31.572 29.762 0.188 0.000 1.718 724 H HN 0.407 nan 8.280 nan 0.000 0.540 725 I N 3.856 124.236 120.570 -0.317 0.000 2.439 725 I HA 0.242 4.412 4.170 0.001 0.000 0.285 725 I C -0.527 175.476 176.117 -0.190 0.000 1.021 725 I CA -0.551 60.656 61.300 -0.155 0.000 1.091 725 I CB 1.847 39.831 38.000 -0.028 0.000 1.242 725 I HN 0.544 nan 8.210 nan 0.000 0.439 726 E N 5.427 125.681 120.200 0.091 0.000 2.133 726 E HA 0.744 5.094 4.350 0.001 0.000 0.274 726 E C -1.109 175.694 176.600 0.340 0.000 0.930 726 E CA -0.492 56.076 56.400 0.279 0.000 0.770 726 E CB 1.578 31.595 29.700 0.528 0.000 1.104 726 E HN 0.749 nan 8.360 nan 0.000 0.403 727 A N 4.569 127.573 122.820 0.306 0.000 2.423 727 A HA 0.652 4.973 4.320 0.001 0.000 0.304 727 A C -1.539 176.247 177.584 0.337 0.000 1.104 727 A CA -0.784 51.342 52.037 0.147 0.000 0.757 727 A CB 1.440 20.250 19.000 -0.317 0.000 1.313 727 A HN 0.622 nan 8.150 nan 0.000 0.423 728 L N 2.304 123.631 121.223 0.172 0.000 2.415 728 L HA 0.461 4.801 4.340 0.001 0.000 0.268 728 L C -1.968 174.920 176.870 0.030 0.000 0.984 728 L CA -0.625 54.369 54.840 0.257 0.000 0.853 728 L CB 1.166 43.482 42.059 0.428 0.000 1.215 728 L HN 0.615 nan 8.230 nan 0.000 0.419 729 L N 5.250 126.540 121.223 0.113 0.000 2.262 729 L HA 0.456 4.797 4.340 0.001 0.000 0.288 729 L C -0.447 176.561 176.870 0.230 0.000 1.035 729 L CA -0.248 54.666 54.840 0.123 0.000 0.820 729 L CB 0.789 42.959 42.059 0.184 0.000 1.204 729 L HN 0.453 nan 8.230 nan 0.000 0.424 730 H N 2.355 121.443 119.070 0.031 0.000 2.667 730 H HA 0.848 5.404 4.556 0.001 0.000 0.353 730 H C -0.040 175.292 175.328 0.007 0.000 1.072 730 H CA -0.156 55.891 56.048 -0.002 0.000 1.214 730 H CB 1.628 31.415 29.762 0.041 0.000 1.600 730 H HN 0.657 nan 8.280 nan 0.000 0.527 731 G N 3.084 111.823 108.800 -0.101 0.000 2.334 731 G HA2 -0.102 3.859 3.960 0.001 0.000 0.249 731 G HA3 -0.102 3.859 3.960 0.001 0.000 0.249 731 G C -1.087 173.804 174.900 -0.014 0.000 1.327 731 G CA -0.655 44.339 45.100 -0.178 0.000 0.979 731 G HN 0.747 nan 8.290 nan 0.000 0.471 732 N N 0.761 119.467 118.700 0.011 0.000 2.739 732 N HA 0.426 5.167 4.740 0.001 0.000 0.266 732 N C -0.372 175.201 175.510 0.104 0.000 1.168 732 N CA 0.028 53.119 53.050 0.068 0.000 1.055 732 N CB -0.159 38.363 38.487 0.059 0.000 1.393 732 N HN 0.637 nan 8.380 nan 0.000 0.514 733 I N 0.845 121.516 120.570 0.168 0.000 2.882 733 I HA 0.212 4.382 4.170 0.001 0.000 0.298 733 I C -0.723 175.590 176.117 0.327 0.000 1.462 733 I CA -0.561 60.866 61.300 0.211 0.000 1.000 733 I CB 2.291 40.425 38.000 0.223 0.000 1.340 733 I HN 0.234 nan 8.210 nan 0.000 0.462 734 T N 1.551 116.220 114.554 0.191 0.000 2.934 734 T HA 0.327 4.677 4.350 0.001 0.000 0.283 734 T C 0.881 175.438 174.700 -0.240 0.000 1.005 734 T CA -0.449 61.731 62.100 0.133 0.000 1.041 734 T CB 1.910 70.807 68.868 0.048 0.000 1.042 734 T HN 0.838 nan 8.240 nan 0.000 0.505 735 K N 0.312 120.440 120.400 -0.453 0.000 2.020 735 K HA -0.280 4.040 4.320 0.001 0.000 0.212 735 K C 2.255 178.544 176.600 -0.519 0.000 1.050 735 K CA 1.958 57.669 56.287 -0.960 0.000 0.929 735 K CB -0.298 31.954 32.500 -0.413 0.000 0.714 735 K HN 0.659 nan 8.250 nan 0.000 0.443 736 Q N 0.307 119.956 119.800 -0.253 0.000 2.135 736 Q HA -0.107 4.233 4.340 0.001 0.000 0.204 736 Q C 1.724 177.644 176.000 -0.133 0.000 0.981 736 Q CA 2.038 57.750 55.803 -0.152 0.000 0.856 736 Q CB -0.363 28.325 28.738 -0.083 0.000 0.902 736 Q HN 0.455 nan 8.270 nan 0.000 0.425 737 A N -0.088 122.656 122.820 -0.126 0.000 1.930 737 A HA 0.037 4.358 4.320 0.001 0.000 0.217 737 A C 2.257 179.796 177.584 -0.074 0.000 1.175 737 A CA 1.596 53.594 52.037 -0.066 0.000 0.627 737 A CB -1.047 17.942 19.000 -0.018 0.000 0.815 737 A HN 0.489 nan 8.150 nan 0.000 0.443 738 A N -0.038 122.674 122.820 -0.180 0.000 1.877 738 A HA -0.080 4.240 4.320 0.001 0.000 0.216 738 A C 2.143 179.675 177.584 -0.086 0.000 1.186 738 A CA 1.562 53.516 52.037 -0.139 0.000 0.620 738 A CB -0.684 18.096 19.000 -0.368 0.000 0.822 738 A HN 0.463 nan 8.150 nan 0.000 0.443 739 L N -0.635 120.503 121.223 -0.141 0.000 2.131 739 L HA -0.130 4.211 4.340 0.001 0.000 0.210 739 L C 2.757 179.612 176.870 -0.026 0.000 1.092 739 L CA 0.996 55.791 54.840 -0.075 0.000 0.759 739 L CB -0.610 41.391 42.059 -0.096 0.000 0.903 739 L HN 0.507 nan 8.230 nan 0.000 0.435 740 G N -0.104 108.679 108.800 -0.029 0.000 2.408 740 G HA2 -0.167 3.793 3.960 0.001 0.000 0.217 740 G HA3 -0.167 3.793 3.960 0.001 0.000 0.217 740 G C 1.601 176.518 174.900 0.029 0.000 1.150 740 G CA 0.420 45.519 45.100 -0.002 0.000 0.776 740 G HN 0.268 nan 8.290 nan 0.000 0.542 741 I N -0.060 120.540 120.570 0.050 0.000 2.252 741 I HA -0.113 4.057 4.170 0.001 0.000 0.245 741 I C 2.679 178.880 176.117 0.141 0.000 1.102 741 I CA 1.111 62.471 61.300 0.101 0.000 1.385 741 I CB -0.107 37.978 38.000 0.143 0.000 1.064 741 I HN 0.207 nan 8.210 nan 0.000 0.414 742 M N 0.650 120.338 119.600 0.147 0.000 2.117 742 M HA -0.254 4.226 4.480 0.001 0.000 0.262 742 M C 2.209 178.576 176.300 0.111 0.000 1.065 742 M CA 1.884 57.292 55.300 0.180 0.000 1.114 742 M CB -0.385 32.295 32.600 0.133 0.000 1.361 742 M HN 0.018 nan 8.290 nan 0.000 0.408 743 Q N -0.270 119.570 119.800 0.067 0.000 2.135 743 Q HA -0.186 4.154 4.340 0.001 0.000 0.204 743 Q C 2.094 178.120 176.000 0.043 0.000 0.981 743 Q CA 2.150 57.981 55.803 0.046 0.000 0.856 743 Q CB -0.494 28.259 28.738 0.025 0.000 0.902 743 Q HN 0.647 nan 8.270 nan 0.000 0.425 744 M N -0.978 118.649 119.600 0.044 0.000 2.175 744 M HA -0.128 4.353 4.480 0.001 0.000 0.264 744 M C 1.640 177.954 176.300 0.024 0.000 1.063 744 M CA 1.172 56.490 55.300 0.031 0.000 1.119 744 M CB -0.033 32.584 32.600 0.029 0.000 1.377 744 M HN 0.180 nan 8.290 nan 0.000 0.415 745 V N 0.843 120.772 119.914 0.025 0.000 2.307 745 V HA -0.263 3.857 4.120 0.001 0.000 0.245 745 V C 2.066 178.188 176.094 0.047 0.000 1.045 745 V CA 1.938 64.236 62.300 -0.003 0.000 1.024 745 V CB -0.785 31.000 31.823 -0.064 0.000 0.651 745 V HN 0.505 nan 8.190 nan 0.000 0.449 746 E N 0.067 120.309 120.200 0.070 0.000 2.017 746 E HA -0.240 4.111 4.350 0.001 0.000 0.193 746 E C 2.034 178.663 176.600 0.050 0.000 0.997 746 E CA 1.590 58.036 56.400 0.076 0.000 0.804 746 E CB -0.275 29.470 29.700 0.075 0.000 0.757 746 E HN 0.575 nan 8.360 nan 0.000 0.448 747 D N 0.118 120.540 120.400 0.036 0.000 2.133 747 D HA -0.150 4.490 4.640 0.001 0.000 0.195 747 D C 1.997 178.309 176.300 0.019 0.000 0.997 747 D CA 1.522 55.533 54.000 0.019 0.000 0.840 747 D CB -0.613 40.196 40.800 0.015 0.000 0.947 747 D HN 0.137 nan 8.370 nan 0.000 0.452 748 T N 0.938 115.517 114.554 0.041 0.000 2.737 748 T HA -0.054 4.296 4.350 0.001 0.000 0.265 748 T C 2.260 177.015 174.700 0.092 0.000 1.038 748 T CA 0.513 62.668 62.100 0.091 0.000 1.144 748 T CB -0.301 68.595 68.868 0.048 0.000 0.866 748 T HN 0.120 nan 8.240 nan 0.000 0.434 749 L N 0.195 121.443 121.223 0.040 0.000 2.046 749 L HA -0.050 4.290 4.340 0.001 0.000 0.208 749 L C 2.471 179.334 176.870 -0.011 0.000 1.077 749 L CA 1.243 56.095 54.840 0.020 0.000 0.747 749 L CB -0.545 41.540 42.059 0.044 0.000 0.896 749 L HN 0.263 nan 8.230 nan 0.000 0.432 750 I N -0.392 120.172 120.570 -0.011 0.000 2.179 750 I HA -0.301 3.869 4.170 0.001 0.000 0.242 750 I C 2.643 178.666 176.117 -0.158 0.000 1.088 750 I CA 1.450 62.726 61.300 -0.040 0.000 1.357 750 I CB -0.304 37.694 38.000 -0.003 0.000 1.051 750 I HN 0.335 nan 8.210 nan 0.000 0.409 751 E N 0.173 120.268 120.200 -0.176 0.000 2.153 751 E HA -0.239 4.112 4.350 0.001 0.000 0.194 751 E C 1.883 178.119 176.600 -0.607 0.000 0.988 751 E CA 1.292 57.480 56.400 -0.354 0.000 0.811 751 E CB 0.112 29.597 29.700 -0.358 0.000 0.746 751 E HN 0.601 nan 8.360 nan 0.000 0.466 752 H N -2.166 116.753 119.070 -0.253 0.000 2.729 752 H HA 0.286 4.843 4.556 0.001 0.000 0.263 752 H C 1.018 176.162 175.328 -0.306 0.000 0.961 752 H CA 0.800 56.696 56.048 -0.254 0.000 1.217 752 H CB 1.100 30.780 29.762 -0.137 0.000 1.447 752 H HN 0.212 nan 8.280 nan 0.000 0.496 753 A N 0.057 122.764 122.820 -0.189 0.000 2.469 753 A HA 0.096 4.416 4.320 0.001 0.000 0.245 753 A C 0.006 177.549 177.584 -0.068 0.000 1.221 753 A CA -0.217 51.751 52.037 -0.116 0.000 0.946 753 A CB 0.014 18.985 19.000 -0.049 0.000 1.049 753 A HN 0.424 nan 8.150 nan 0.000 0.529 754 H N 0.360 119.423 119.070 -0.012 0.000 2.822 754 H HA -0.137 4.420 4.556 0.001 0.000 0.295 754 H C -0.115 175.210 175.328 -0.004 0.000 1.151 754 H CA 1.115 57.154 56.048 -0.016 0.000 1.151 754 H CB -2.626 27.120 29.762 -0.026 0.000 1.343 754 H HN 0.417 nan 8.280 nan 0.000 0.382 755 T N 1.734 116.326 114.554 0.063 0.000 2.946 755 T HA 0.241 4.592 4.350 0.001 0.000 0.312 755 T C 1.023 175.770 174.700 0.079 0.000 1.066 755 T CA 0.432 62.572 62.100 0.066 0.000 1.138 755 T CB 1.242 70.149 68.868 0.064 0.000 1.014 755 T HN 0.235 nan 8.240 nan 0.000 0.544 756 K N 3.245 123.694 120.400 0.081 0.000 2.395 756 K HA 0.448 4.768 4.320 0.001 0.000 0.247 756 K C -2.805 173.854 176.600 0.099 0.000 0.973 756 K CA -2.370 53.965 56.287 0.079 0.000 0.828 756 K CB 1.730 34.267 32.500 0.061 0.000 1.272 756 K HN 0.233 nan 8.250 nan 0.000 0.439 757 P HA 0.004 nan 4.420 nan 0.000 0.265 757 P C -0.501 176.860 177.300 0.102 0.000 1.193 757 P CA 0.052 63.222 63.100 0.115 0.000 0.765 757 P CB 0.471 32.224 31.700 0.088 0.000 0.823 758 L N 2.877 124.176 121.223 0.126 0.000 2.466 758 L HA 0.181 4.521 4.340 0.001 0.000 0.257 758 L C 0.509 177.395 176.870 0.028 0.000 1.189 758 L CA -0.626 54.273 54.840 0.099 0.000 0.813 758 L CB 0.244 42.385 42.059 0.136 0.000 1.118 758 L HN 0.173 nan 8.230 nan 0.000 0.471 759 L N 3.175 124.409 121.223 0.019 0.000 2.371 759 L HA 0.189 4.529 4.340 0.001 0.000 0.272 759 L C -1.188 175.643 176.870 -0.067 0.000 1.124 759 L CA -1.306 53.525 54.840 -0.016 0.000 0.816 759 L CB 0.773 42.834 42.059 0.003 0.000 1.129 759 L HN 0.410 nan 8.230 nan 0.000 0.448 760 P HA -0.139 nan 4.420 nan 0.000 0.219 760 P C 1.271 178.498 177.300 -0.121 0.000 1.146 760 P CA 1.116 64.127 63.100 -0.149 0.000 0.808 760 P CB 0.288 31.910 31.700 -0.130 0.000 0.779 761 S N -0.901 114.753 115.700 -0.075 0.000 2.481 761 S HA -0.086 4.384 4.470 0.001 0.000 0.231 761 S C 2.046 176.615 174.600 -0.053 0.000 0.996 761 S CA 0.462 58.627 58.200 -0.059 0.000 0.942 761 S CB -0.893 62.287 63.200 -0.034 0.000 0.768 761 S HN 0.211 nan 8.310 nan 0.000 0.520 762 Q N -0.015 119.759 119.800 -0.043 0.000 2.269 762 Q HA 0.196 4.537 4.340 0.001 0.000 0.201 762 Q C -0.391 175.583 176.000 -0.045 0.000 0.946 762 Q CA 0.266 56.061 55.803 -0.013 0.000 0.877 762 Q CB -0.187 28.573 28.738 0.038 0.000 0.963 762 Q HN 0.410 nan 8.270 nan 0.000 0.472 763 L N 1.620 122.770 121.223 -0.122 0.000 2.415 763 L HA 0.073 4.413 4.340 0.001 0.000 0.269 763 L C -0.320 176.401 176.870 -0.248 0.000 1.244 763 L CA 0.430 55.135 54.840 -0.224 0.000 1.113 763 L CB -0.429 41.397 42.059 -0.389 0.000 1.352 763 L HN -0.144 nan 8.230 nan 0.000 0.433 764 V N 3.089 122.865 119.914 -0.229 0.000 2.716 764 V HA 0.623 4.744 4.120 0.001 0.000 0.304 764 V C 0.416 176.185 176.094 -0.542 0.000 1.053 764 V CA -0.958 61.178 62.300 -0.274 0.000 0.984 764 V CB 1.836 33.567 31.823 -0.154 0.000 1.021 764 V HN 0.512 nan 8.190 nan 0.000 0.467 765 R N 1.380 121.613 120.500 -0.445 0.000 2.854 765 R HA 0.525 4.865 4.340 0.001 0.000 0.271 765 R C -1.281 174.895 176.300 -0.208 0.000 0.996 765 R CA -0.738 55.055 56.100 -0.511 0.000 0.961 765 R CB 1.252 31.395 30.300 -0.262 0.000 1.182 765 R HN 0.637 nan 8.270 nan 0.000 0.479 766 Y N 0.695 121.124 120.300 0.215 0.000 2.320 766 Y HA 0.430 4.981 4.550 0.001 0.000 0.324 766 Y C 0.958 176.914 175.900 0.094 0.000 1.190 766 Y CA -0.726 57.469 58.100 0.158 0.000 1.215 766 Y CB 1.393 39.960 38.460 0.177 0.000 1.221 766 Y HN 0.158 nan 8.280 nan 0.000 0.486 767 R N 1.024 121.677 120.500 0.255 0.000 2.596 767 R HA 0.313 4.653 4.340 0.001 0.000 0.267 767 R C -0.874 175.511 176.300 0.141 0.000 1.026 767 R CA -0.993 55.206 56.100 0.165 0.000 1.087 767 R CB 1.133 31.515 30.300 0.137 0.000 1.132 767 R HN 0.630 nan 8.270 nan 0.000 0.531 768 E N 0.616 120.913 120.200 0.161 0.000 2.214 768 E HA 0.235 4.586 4.350 0.001 0.000 0.274 768 E C -0.795 175.935 176.600 0.217 0.000 0.977 768 E CA -0.760 55.738 56.400 0.164 0.000 0.827 768 E CB 1.332 31.125 29.700 0.156 0.000 1.130 768 E HN 0.201 nan 8.360 nan 0.000 0.394 769 V N 3.382 123.368 119.914 0.120 0.000 2.763 769 V HA -0.055 4.065 4.120 0.001 0.000 0.306 769 V C 0.250 176.392 176.094 0.080 0.000 1.059 769 V CA 0.411 62.716 62.300 0.009 0.000 1.138 769 V CB 1.039 32.802 31.823 -0.101 0.000 0.940 769 V HN 0.736 nan 8.190 nan 0.000 0.489 770 Q N 4.104 123.810 119.800 -0.157 0.000 2.400 770 Q HA 0.349 4.690 4.340 0.001 0.000 0.255 770 Q C -1.189 174.651 176.000 -0.266 0.000 1.008 770 Q CA -0.875 54.694 55.803 -0.389 0.000 0.841 770 Q CB 0.966 29.174 28.738 -0.883 0.000 1.220 770 Q HN 0.533 nan 8.270 nan 0.000 0.474 771 L N 6.373 127.513 121.223 -0.138 0.000 2.426 771 L HA 0.367 4.707 4.340 0.001 0.000 0.271 771 L C -1.912 174.960 176.870 0.003 0.000 1.169 771 L CA -1.750 53.089 54.840 -0.003 0.000 0.836 771 L CB 0.021 42.197 42.059 0.194 0.000 1.112 771 L HN 0.658 nan 8.230 nan 0.000 0.465 772 P HA 0.088 nan 4.420 nan 0.000 0.278 772 P C -0.782 176.733 177.300 0.358 0.000 1.238 772 P CA -0.666 62.561 63.100 0.211 0.000 0.794 772 P CB 0.833 32.657 31.700 0.207 0.000 0.955 773 D N 2.719 123.292 120.400 0.288 0.000 2.488 773 D HA -0.017 4.624 4.640 0.001 0.000 0.238 773 D C 1.129 177.487 176.300 0.098 0.000 1.138 773 D CA 0.577 54.694 54.000 0.195 0.000 0.873 773 D CB -0.034 40.832 40.800 0.111 0.000 1.183 773 D HN 0.401 nan 8.370 nan 0.000 0.458 774 R N -0.221 120.291 120.500 0.019 0.000 3.989 774 R HA -0.147 4.194 4.340 0.001 0.000 0.377 774 R C 0.702 177.039 176.300 0.062 0.000 1.158 774 R CA 0.922 57.028 56.100 0.010 0.000 1.035 774 R CB -1.830 28.468 30.300 -0.003 0.000 1.557 774 R HN 0.521 nan 8.270 nan 0.000 0.551 775 G N -0.169 108.713 108.800 0.137 0.000 2.420 775 G HA2 0.360 4.321 3.960 0.001 0.000 0.284 775 G HA3 0.360 4.321 3.960 0.001 0.000 0.284 775 G C -1.348 173.671 174.900 0.198 0.000 1.177 775 G CA -0.122 45.042 45.100 0.106 0.000 0.841 775 G HN 0.210 nan 8.290 nan 0.000 0.527 776 W N 3.114 124.252 121.300 -0.270 0.000 2.884 776 W HA 0.678 5.338 4.660 0.001 0.000 0.336 776 W C -2.214 174.127 176.519 -0.297 0.000 1.038 776 W CA -2.339 54.935 57.345 -0.119 0.000 1.247 776 W CB 0.911 30.337 29.460 -0.058 0.000 1.351 776 W HN 0.324 nan 8.180 nan 0.000 0.446 777 F N 5.017 124.994 119.950 0.045 0.000 2.522 777 F HA 0.762 5.289 4.527 0.001 0.000 0.324 777 F C -0.095 175.497 175.800 -0.346 0.000 1.077 777 F CA -1.382 56.505 58.000 -0.188 0.000 0.944 777 F CB 1.754 40.732 39.000 -0.036 0.000 1.175 777 F HN -0.109 nan 8.300 nan 0.000 0.468 778 V N 2.366 122.122 119.914 -0.264 0.000 2.588 778 V HA 0.344 4.465 4.120 0.001 0.000 0.304 778 V C -1.623 174.350 176.094 -0.201 0.000 1.042 778 V CA -0.982 61.120 62.300 -0.331 0.000 0.877 778 V CB 1.979 33.433 31.823 -0.615 0.000 0.996 778 V HN 0.629 nan 8.190 nan 0.000 0.425 779 Y N 4.077 124.207 120.300 -0.283 0.000 2.341 779 Y HA 0.625 5.176 4.550 0.001 0.000 0.338 779 Y C -0.220 175.554 175.900 -0.210 0.000 0.965 779 Y CA -0.381 57.566 58.100 -0.255 0.000 1.108 779 Y CB 1.687 39.991 38.460 -0.260 0.000 1.180 779 Y HN 0.693 nan 8.280 nan 0.000 0.458 780 Q N 5.096 124.439 119.800 -0.762 0.000 2.342 780 Q HA 0.527 4.868 4.340 0.001 0.000 0.267 780 Q C -1.512 174.078 176.000 -0.684 0.000 1.038 780 Q CA -0.731 54.766 55.803 -0.510 0.000 0.832 780 Q CB 1.647 30.222 28.738 -0.271 0.000 1.323 780 Q HN 0.730 nan 8.270 nan 0.000 0.448 781 Q N 1.670 121.247 119.800 -0.372 0.000 2.626 781 Q HA 0.485 4.825 4.340 0.001 0.000 0.300 781 Q C -1.640 174.363 176.000 0.005 0.000 0.988 781 Q CA -0.630 55.020 55.803 -0.255 0.000 0.761 781 Q CB 2.427 30.948 28.738 -0.360 0.000 1.494 781 Q HN 0.759 nan 8.270 nan 0.000 0.439 782 R N 0.916 121.466 120.500 0.082 0.000 2.686 782 R HA 0.466 4.806 4.340 0.001 0.000 0.286 782 R C -1.129 175.296 176.300 0.209 0.000 0.969 782 R CA -0.404 55.773 56.100 0.128 0.000 0.898 782 R CB 1.345 31.691 30.300 0.076 0.000 1.183 782 R HN 0.667 nan 8.270 nan 0.000 0.456 783 N N 1.350 120.165 118.700 0.191 0.000 2.419 783 N HA 0.056 4.796 4.740 0.001 0.000 0.264 783 N C -0.153 175.428 175.510 0.118 0.000 1.031 783 N CA -0.254 52.907 53.050 0.184 0.000 0.951 783 N CB 1.173 39.709 38.487 0.082 0.000 1.101 783 N HN 0.579 nan 8.380 nan 0.000 0.488 784 E N 2.103 122.370 120.200 0.112 0.000 2.489 784 E HA 0.002 4.353 4.350 0.001 0.000 0.193 784 E C 0.613 177.217 176.600 0.006 0.000 1.057 784 E CA 0.134 56.569 56.400 0.059 0.000 0.866 784 E CB 0.577 30.315 29.700 0.064 0.000 0.916 784 E HN 0.411 nan 8.360 nan 0.000 0.500 785 V N -0.029 119.867 119.914 -0.031 0.000 2.911 785 V HA 0.012 4.133 4.120 0.001 0.000 0.237 785 V C 0.639 176.574 176.094 -0.265 0.000 1.156 785 V CA 0.290 62.486 62.300 -0.173 0.000 1.180 785 V CB 0.178 31.828 31.823 -0.287 0.000 0.932 785 V HN 0.256 nan 8.190 nan 0.000 0.483 786 H N 1.343 120.382 119.070 -0.051 0.000 2.502 786 H HA 0.281 4.837 4.556 0.001 0.000 0.327 786 H C -0.325 174.987 175.328 -0.026 0.000 1.099 786 H CA -0.108 55.910 56.048 -0.049 0.000 1.323 786 H CB 0.989 30.703 29.762 -0.079 0.000 1.450 786 H HN 0.118 nan 8.280 nan 0.000 0.502 787 N N 3.078 121.825 118.700 0.079 0.000 2.994 787 N HA 0.015 4.756 4.740 0.001 0.000 0.306 787 N C -0.881 174.660 175.510 0.053 0.000 1.348 787 N CA -0.088 52.992 53.050 0.050 0.000 1.109 787 N CB -0.107 38.392 38.487 0.020 0.000 1.415 787 N HN 0.531 nan 8.380 nan 0.000 0.529 788 N N -0.574 118.168 118.700 0.070 0.000 2.329 788 N HA 0.371 5.111 4.740 0.001 0.000 0.282 788 N C -1.194 174.350 175.510 0.056 0.000 1.198 788 N CA -0.609 52.471 53.050 0.051 0.000 0.790 788 N CB 1.547 40.057 38.487 0.038 0.000 1.579 788 N HN 0.089 nan 8.380 nan 0.000 0.475 789 C N 0.418 119.751 119.300 0.055 0.000 2.362 789 C HA 0.825 5.285 4.460 0.001 0.000 0.363 789 C C 0.918 175.954 174.990 0.077 0.000 1.220 789 C CA -0.254 58.805 59.018 0.069 0.000 2.379 789 C CB 0.752 28.531 27.740 0.065 0.000 2.351 789 C HN 0.735 nan 8.230 nan 0.000 0.582 790 G N 0.464 109.327 108.800 0.105 0.000 2.612 790 G HA2 0.782 4.743 3.960 0.001 0.000 0.298 790 G HA3 0.782 4.743 3.960 0.001 0.000 0.298 790 G C -1.680 173.317 174.900 0.163 0.000 1.336 790 G CA -0.233 44.951 45.100 0.140 0.000 0.953 790 G HN 0.820 nan 8.290 nan 0.000 0.482 791 I N -0.517 120.164 120.570 0.185 0.000 2.842 791 I HA 0.543 4.713 4.170 0.001 0.000 0.297 791 I C -1.795 174.475 176.117 0.255 0.000 1.380 791 I CA -0.711 60.713 61.300 0.206 0.000 1.018 791 I CB 2.476 40.537 38.000 0.102 0.000 1.311 791 I HN 0.488 nan 8.210 nan 0.000 0.439 792 E N 6.806 127.186 120.200 0.299 0.000 2.260 792 E HA 0.503 4.853 4.350 0.001 0.000 0.266 792 E C -1.615 175.176 176.600 0.319 0.000 0.887 792 E CA -0.579 56.005 56.400 0.307 0.000 0.777 792 E CB 2.403 32.273 29.700 0.283 0.000 1.205 792 E HN 0.444 nan 8.360 nan 0.000 0.414 793 I N 3.774 124.540 120.570 0.326 0.000 2.378 793 I HA 0.257 4.427 4.170 0.001 0.000 0.291 793 I C -1.046 175.222 176.117 0.251 0.000 0.992 793 I CA -0.911 60.529 61.300 0.232 0.000 1.154 793 I CB 1.054 39.151 38.000 0.163 0.000 1.315 793 I HN 0.442 nan 8.210 nan 0.000 0.448 794 Y N 7.504 127.792 120.300 -0.021 0.000 2.326 794 Y HA 0.424 4.975 4.550 0.001 0.000 0.331 794 Y C -1.490 174.379 175.900 -0.051 0.000 0.962 794 Y CA -1.315 56.812 58.100 0.044 0.000 1.167 794 Y CB 0.826 39.364 38.460 0.130 0.000 1.148 794 Y HN 0.359 nan 8.280 nan 0.000 0.463 795 Y N 5.281 125.567 120.300 -0.022 0.000 2.700 795 Y HA 0.254 4.805 4.550 0.001 0.000 0.333 795 Y C 0.527 176.207 175.900 -0.367 0.000 1.036 795 Y CA -0.554 57.461 58.100 -0.141 0.000 1.287 795 Y CB 0.589 39.041 38.460 -0.014 0.000 1.132 795 Y HN 0.549 nan 8.280 nan 0.000 0.510 796 Q N 2.014 121.524 119.800 -0.482 0.000 2.274 796 Q HA 0.017 4.358 4.340 0.001 0.000 0.280 796 Q C 0.782 176.855 176.000 0.122 0.000 1.047 796 Q CA 0.608 56.196 55.803 -0.357 0.000 0.907 796 Q CB 0.983 29.616 28.738 -0.175 0.000 1.171 796 Q HN 0.863 nan 8.270 nan 0.000 0.381 797 T N 1.126 115.763 114.554 0.138 0.000 3.555 797 T HA 0.244 4.594 4.350 0.001 0.000 0.201 797 T C 0.124 174.978 174.700 0.258 0.000 0.850 797 T CA 0.225 62.461 62.100 0.226 0.000 1.646 797 T CB 0.253 69.288 68.868 0.279 0.000 1.774 797 T HN 0.614 nan 8.240 nan 0.000 0.447 798 D N -0.949 119.547 120.400 0.160 0.000 2.825 798 D HA 0.323 4.964 4.640 0.001 0.000 0.327 798 D C -1.234 174.997 176.300 -0.115 0.000 1.277 798 D CA -0.813 53.242 54.000 0.093 0.000 0.950 798 D CB 2.154 43.063 40.800 0.182 0.000 1.438 798 D HN 0.417 nan 8.370 nan 0.000 0.526 799 M N 1.111 120.622 119.600 -0.149 0.000 2.248 799 M HA 0.085 4.565 4.480 0.001 0.000 0.337 799 M C 0.052 176.296 176.300 -0.095 0.000 1.121 799 M CA 0.248 55.427 55.300 -0.202 0.000 1.155 799 M CB 0.499 33.045 32.600 -0.091 0.000 1.514 799 M HN 0.132 nan 8.290 nan 0.000 0.452 800 Q N 2.307 122.044 119.800 -0.104 0.000 2.361 800 Q HA 0.274 4.615 4.340 0.001 0.000 0.276 800 Q C -0.743 175.210 176.000 -0.079 0.000 1.022 800 Q CA 0.295 56.051 55.803 -0.078 0.000 0.898 800 Q CB 0.676 29.364 28.738 -0.084 0.000 1.246 800 Q HN 0.760 nan 8.270 nan 0.000 0.410 801 S N -0.296 115.346 115.700 -0.097 0.000 2.586 801 S HA 0.153 4.623 4.470 0.001 0.000 0.277 801 S C 0.410 174.890 174.600 -0.201 0.000 1.131 801 S CA -0.590 57.535 58.200 -0.126 0.000 0.848 801 S CB 1.030 64.164 63.200 -0.110 0.000 1.091 801 S HN 0.534 nan 8.310 nan 0.000 0.453 802 T N 1.927 116.333 114.554 -0.246 0.000 2.649 802 T HA -0.201 4.150 4.350 0.001 0.000 0.268 802 T C 1.957 176.300 174.700 -0.595 0.000 1.036 802 T CA 2.544 64.426 62.100 -0.363 0.000 1.157 802 T CB -0.727 67.905 68.868 -0.393 0.000 0.861 802 T HN 0.775 nan 8.240 nan 0.000 0.445 803 S N 0.305 115.572 115.700 -0.722 0.000 2.338 803 S HA -0.126 4.345 4.470 0.001 0.000 0.218 803 S C 2.096 176.281 174.600 -0.693 0.000 1.032 803 S CA 1.047 58.697 58.200 -0.916 0.000 0.999 803 S CB -0.309 62.513 63.200 -0.631 0.000 0.905 803 S HN 0.393 nan 8.310 nan 0.000 0.439 804 E N 1.415 121.430 120.200 -0.309 0.000 2.153 804 E HA -0.097 4.253 4.350 0.001 0.000 0.194 804 E C 1.906 178.452 176.600 -0.090 0.000 0.988 804 E CA 0.867 57.227 56.400 -0.067 0.000 0.811 804 E CB -0.656 29.069 29.700 0.041 0.000 0.746 804 E HN 0.679 nan 8.360 nan 0.000 0.466 805 N N 0.035 118.651 118.700 -0.141 0.000 2.106 805 N HA -0.101 4.639 4.740 0.001 0.000 0.188 805 N C 1.692 177.160 175.510 -0.070 0.000 1.029 805 N CA 0.963 53.961 53.050 -0.086 0.000 0.848 805 N CB -0.032 38.394 38.487 -0.102 0.000 1.007 805 N HN 0.067 nan 8.380 nan 0.000 0.423 806 M N 0.070 119.601 119.600 -0.114 0.000 2.394 806 M HA 0.010 4.490 4.480 0.001 0.000 0.264 806 M C 1.537 177.853 176.300 0.026 0.000 1.073 806 M CA 0.988 56.273 55.300 -0.025 0.000 1.111 806 M CB -1.160 31.479 32.600 0.065 0.000 1.401 806 M HN 0.184 nan 8.290 nan 0.000 0.448 807 F N 0.021 119.878 119.950 -0.155 0.000 2.084 807 F HA -0.265 4.262 4.527 0.001 0.000 0.296 807 F C 2.302 177.838 175.800 -0.440 0.000 1.111 807 F CA 0.536 58.277 58.000 -0.432 0.000 1.224 807 F CB -0.303 38.151 39.000 -0.910 0.000 0.991 807 F HN 0.092 nan 8.300 nan 0.000 0.471 808 L N 0.650 121.791 121.223 -0.138 0.000 2.046 808 L HA -0.196 4.145 4.340 0.001 0.000 0.208 808 L C 2.045 179.015 176.870 0.166 0.000 1.077 808 L CA 1.861 56.755 54.840 0.091 0.000 0.747 808 L CB -0.696 41.452 42.059 0.150 0.000 0.896 808 L HN 0.079 nan 8.230 nan 0.000 0.432 809 E N -0.603 119.651 120.200 0.089 0.000 2.106 809 E HA -0.226 4.125 4.350 0.001 0.000 0.192 809 E C 2.293 178.933 176.600 0.066 0.000 0.984 809 E CA 1.271 57.712 56.400 0.070 0.000 0.806 809 E CB -0.224 29.495 29.700 0.032 0.000 0.750 809 E HN 0.522 nan 8.360 nan 0.000 0.458 810 L N 0.173 121.449 121.223 0.087 0.000 2.056 810 L HA -0.158 4.182 4.340 0.001 0.000 0.207 810 L C 2.322 179.242 176.870 0.084 0.000 1.078 810 L CA 1.060 55.938 54.840 0.063 0.000 0.749 810 L CB -0.191 41.934 42.059 0.110 0.000 0.901 810 L HN 0.165 nan 8.230 nan 0.000 0.433 811 F N -0.052 119.928 119.950 0.050 0.000 2.134 811 F HA -0.306 4.222 4.527 0.001 0.000 0.299 811 F C 2.558 178.370 175.800 0.020 0.000 1.097 811 F CA 1.883 59.932 58.000 0.082 0.000 1.264 811 F CB -0.367 38.770 39.000 0.228 0.000 1.001 811 F HN 0.136 nan 8.300 nan 0.000 0.479 812 C N 0.077 119.453 119.300 0.128 0.000 2.429 812 C HA -0.193 4.267 4.460 0.001 0.000 0.277 812 C C 2.722 177.624 174.990 -0.147 0.000 1.262 812 C CA 1.366 60.372 59.018 -0.019 0.000 1.733 812 C CB -1.146 26.611 27.740 0.029 0.000 2.010 812 C HN 0.621 nan 8.230 nan 0.000 0.483 813 Q N 1.255 120.972 119.800 -0.138 0.000 2.096 813 Q HA -0.124 4.217 4.340 0.001 0.000 0.204 813 Q C 1.736 177.501 176.000 -0.392 0.000 0.982 813 Q CA 1.961 57.650 55.803 -0.191 0.000 0.850 813 Q CB -0.540 28.113 28.738 -0.143 0.000 0.901 813 Q HN 0.686 nan 8.270 nan 0.000 0.422 814 I N 0.397 120.652 120.570 -0.526 0.000 2.252 814 I HA -0.186 3.984 4.170 0.001 0.000 0.245 814 I C 2.210 178.043 176.117 -0.474 0.000 1.102 814 I CA 1.361 62.202 61.300 -0.764 0.000 1.385 814 I CB -0.378 37.286 38.000 -0.561 0.000 1.064 814 I HN 0.396 nan 8.210 nan 0.000 0.414 815 I N -3.003 117.324 120.570 -0.406 0.000 3.419 815 I HA -0.008 4.163 4.170 0.001 0.000 0.286 815 I C 2.408 178.520 176.117 -0.008 0.000 1.268 815 I CA 0.462 61.662 61.300 -0.167 0.000 1.414 815 I CB -0.045 37.850 38.000 -0.175 0.000 1.074 815 I HN 0.010 nan 8.210 nan 0.000 0.457 816 S N 2.421 118.055 115.700 -0.109 0.000 2.392 816 S HA -0.344 4.127 4.470 0.001 0.000 0.225 816 S C 2.034 176.628 174.600 -0.009 0.000 1.041 816 S CA 2.672 60.821 58.200 -0.085 0.000 1.100 816 S CB -0.406 62.728 63.200 -0.109 0.000 1.029 816 S HN 0.829 nan 8.310 nan 0.000 0.424 817 E N 1.665 121.866 120.200 0.001 0.000 2.058 817 E HA -0.057 4.293 4.350 0.001 0.000 0.194 817 E C -0.593 176.081 176.600 0.124 0.000 0.997 817 E CA 2.013 58.447 56.400 0.057 0.000 0.801 817 E CB -1.648 28.079 29.700 0.044 0.000 0.746 817 E HN 0.427 nan 8.360 nan 0.000 0.450 818 P HA -0.135 nan 4.420 nan 0.000 0.218 818 P C 1.546 178.972 177.300 0.212 0.000 1.148 818 P CA 1.495 64.720 63.100 0.208 0.000 0.822 818 P CB -0.221 31.615 31.700 0.226 0.000 0.784 819 C N -1.867 117.488 119.300 0.091 0.000 2.446 819 C HA -0.115 4.345 4.460 0.001 0.000 0.277 819 C C 2.430 177.278 174.990 -0.237 0.000 1.275 819 C CA 0.378 59.127 59.018 -0.449 0.000 1.727 819 C CB -2.126 25.450 27.740 -0.274 0.000 2.010 819 C HN 0.132 nan 8.230 nan 0.000 0.486 820 F N 1.912 121.770 119.950 -0.153 0.000 2.163 820 F HA -0.003 4.524 4.527 0.001 0.000 0.297 820 F C 2.373 178.132 175.800 -0.069 0.000 1.094 820 F CA 2.036 59.974 58.000 -0.104 0.000 1.290 820 F CB -0.756 38.205 39.000 -0.065 0.000 1.017 820 F HN 0.325 nan 8.300 nan 0.000 0.483 821 N N -0.576 118.198 118.700 0.123 0.000 2.188 821 N HA -0.155 4.585 4.740 0.001 0.000 0.184 821 N C 1.512 177.000 175.510 -0.037 0.000 1.018 821 N CA 1.900 54.990 53.050 0.066 0.000 0.858 821 N CB -0.065 38.504 38.487 0.136 0.000 0.989 821 N HN 0.304 nan 8.380 nan 0.000 0.426 822 T N 1.345 115.872 114.554 -0.046 0.000 2.706 822 T HA -0.005 4.346 4.350 0.001 0.000 0.255 822 T C 1.907 176.527 174.700 -0.134 0.000 1.048 822 T CA 0.502 62.575 62.100 -0.045 0.000 1.153 822 T CB -0.177 68.727 68.868 0.061 0.000 0.865 822 T HN 0.034 nan 8.240 nan 0.000 0.414 823 L N 0.677 121.755 121.223 -0.241 0.000 2.141 823 L HA 0.139 4.480 4.340 0.001 0.000 0.209 823 L C 2.369 179.098 176.870 -0.236 0.000 1.094 823 L CA 1.538 56.238 54.840 -0.234 0.000 0.763 823 L CB -0.692 41.203 42.059 -0.273 0.000 0.908 823 L HN 0.163 nan 8.230 nan 0.000 0.437 824 R N -1.723 118.564 120.500 -0.355 0.000 2.098 824 R HA 0.001 4.341 4.340 0.001 0.000 0.203 824 R C 2.109 178.237 176.300 -0.287 0.000 1.166 824 R CA 1.007 56.867 56.100 -0.399 0.000 1.090 824 R CB -0.225 29.614 30.300 -0.769 0.000 0.992 824 R HN 0.145 nan 8.270 nan 0.000 0.477 825 T N 1.590 115.960 114.554 -0.306 0.000 2.684 825 T HA -0.105 4.246 4.350 0.001 0.000 0.267 825 T C 1.596 176.261 174.700 -0.059 0.000 1.036 825 T CA 1.645 63.673 62.100 -0.121 0.000 1.148 825 T CB -0.052 68.797 68.868 -0.032 0.000 0.863 825 T HN 0.266 nan 8.240 nan 0.000 0.436 826 K N 0.681 121.045 120.400 -0.059 0.000 2.029 826 K HA 0.066 4.387 4.320 0.001 0.000 0.205 826 K C 2.450 179.031 176.600 -0.031 0.000 1.042 826 K CA 0.937 57.208 56.287 -0.027 0.000 0.949 826 K CB -0.001 32.493 32.500 -0.010 0.000 0.740 826 K HN 0.327 nan 8.250 nan 0.000 0.442 827 E N 0.867 121.037 120.200 -0.050 0.000 2.371 827 E HA -0.054 4.296 4.350 0.001 0.000 0.194 827 E C -0.312 176.265 176.600 -0.038 0.000 1.012 827 E CA 0.065 56.443 56.400 -0.037 0.000 0.860 827 E CB 0.324 29.996 29.700 -0.047 0.000 0.811 827 E HN 0.146 nan 8.360 nan 0.000 0.502 828 Q N -0.238 119.522 119.800 -0.067 0.000 2.435 828 Q HA -0.231 4.110 4.340 0.001 0.000 0.312 828 Q C 0.948 176.924 176.000 -0.040 0.000 1.333 828 Q CA 0.515 56.283 55.803 -0.059 0.000 0.883 828 Q CB -2.009 26.710 28.738 -0.031 0.000 1.170 828 Q HN 0.463 nan 8.270 nan 0.000 0.443 829 L N -1.710 119.481 121.223 -0.053 0.000 2.083 829 L HA -0.058 4.282 4.340 0.001 0.000 0.209 829 L C 1.355 178.217 176.870 -0.013 0.000 1.083 829 L CA 1.526 56.352 54.840 -0.022 0.000 0.752 829 L CB -0.049 41.984 42.059 -0.044 0.000 0.899 829 L HN 0.495 nan 8.230 nan 0.000 0.433 830 G N -3.555 105.228 108.800 -0.029 0.000 2.368 830 G HA2 0.101 4.061 3.960 0.001 0.000 0.293 830 G HA3 0.101 4.061 3.960 0.001 0.000 0.293 830 G C -0.838 174.080 174.900 0.028 0.000 1.467 830 G CA -0.380 44.729 45.100 0.014 0.000 0.804 830 G HN -0.151 nan 8.290 nan 0.000 0.535 831 Y N 0.420 120.698 120.300 -0.037 0.000 2.242 831 Y HA 0.294 4.844 4.550 0.001 0.000 0.291 831 Y C 1.193 177.100 175.900 0.011 0.000 1.137 831 Y CA 1.082 59.180 58.100 -0.004 0.000 1.181 831 Y CB 0.101 38.568 38.460 0.013 0.000 0.989 831 Y HN 0.272 nan 8.280 nan 0.000 0.527 832 I N 2.085 122.625 120.570 -0.049 0.000 2.291 832 I HA 0.256 4.427 4.170 0.001 0.000 0.290 832 I C -1.183 174.902 176.117 -0.054 0.000 1.050 832 I CA -0.571 60.649 61.300 -0.132 0.000 1.245 832 I CB 0.992 38.888 38.000 -0.173 0.000 1.405 832 I HN -0.266 nan 8.210 nan 0.000 0.478 833 V N 7.717 127.625 119.914 -0.009 0.000 2.488 833 V HA 0.390 4.510 4.120 0.001 0.000 0.293 833 V C -0.882 175.335 176.094 0.205 0.000 1.027 833 V CA -0.606 61.720 62.300 0.043 0.000 0.862 833 V CB 1.869 33.621 31.823 -0.119 0.000 1.008 833 V HN 0.484 nan 8.190 nan 0.000 0.428 834 F N 4.372 124.356 119.950 0.056 0.000 2.576 834 F HA 0.879 5.407 4.527 0.001 0.000 0.313 834 F C -0.076 175.748 175.800 0.039 0.000 1.078 834 F CA -0.114 57.919 58.000 0.055 0.000 0.921 834 F CB 2.369 41.387 39.000 0.029 0.000 1.232 834 F HN 0.504 nan 8.300 nan 0.000 0.459 835 S N 3.202 118.229 115.700 -1.123 0.000 2.579 835 S HA 1.011 5.481 4.470 0.001 0.000 0.272 835 S C -0.723 173.110 174.600 -1.277 0.000 1.141 835 S CA -0.156 57.408 58.200 -1.059 0.000 0.843 835 S CB 1.594 64.350 63.200 -0.741 0.000 1.122 835 S HN 1.854 nan 8.310 nan 0.000 0.468 836 G N 0.700 109.050 108.800 -0.749 0.000 2.337 836 G HA2 0.444 4.405 3.960 0.001 0.000 0.298 836 G HA3 0.444 4.405 3.960 0.001 0.000 0.298 836 G C -3.647 171.214 174.900 -0.064 0.000 1.335 836 G CA -0.557 44.321 45.100 -0.370 0.000 0.875 836 G HN 0.702 nan 8.290 nan 0.000 0.579 837 P HA 0.408 nan 4.420 nan 0.000 0.274 837 P C -0.791 176.609 177.300 0.168 0.000 1.237 837 P CA -0.221 62.958 63.100 0.131 0.000 0.793 837 P CB 1.472 33.238 31.700 0.110 0.000 0.977 838 R N 1.423 122.040 120.500 0.194 0.000 2.575 838 R HA 0.515 4.855 4.340 0.001 0.000 0.293 838 R C -0.954 175.420 176.300 0.123 0.000 0.983 838 R CA -0.777 55.414 56.100 0.152 0.000 0.887 838 R CB 1.261 31.648 30.300 0.144 0.000 1.184 838 R HN 0.345 nan 8.270 nan 0.000 0.445 839 R N 1.848 122.381 120.500 0.054 0.000 2.561 839 R HA 0.722 5.063 4.340 0.001 0.000 0.297 839 R C -1.624 174.671 176.300 -0.009 0.000 0.969 839 R CA -0.552 55.562 56.100 0.024 0.000 0.879 839 R CB 2.300 32.602 30.300 0.003 0.000 1.178 839 R HN 0.719 nan 8.270 nan 0.000 0.445 840 A N 2.354 125.165 122.820 -0.014 0.000 2.532 840 A HA 0.404 4.724 4.320 0.001 0.000 0.296 840 A C -0.825 176.750 177.584 -0.014 0.000 1.058 840 A CA -0.834 51.190 52.037 -0.023 0.000 0.729 840 A CB 0.842 19.820 19.000 -0.036 0.000 1.285 840 A HN 0.782 nan 8.150 nan 0.000 0.396 841 N N 0.936 119.637 118.700 0.001 0.000 2.681 841 N HA -0.267 4.473 4.740 0.001 0.000 0.250 841 N C 1.094 176.594 175.510 -0.017 0.000 1.133 841 N CA 2.700 55.765 53.050 0.026 0.000 0.732 841 N CB -1.119 37.410 38.487 0.070 0.000 1.107 841 N HN 2.415 nan 8.380 nan 0.000 0.559 842 G N -1.802 106.966 108.800 -0.053 0.000 2.194 842 G HA2 -0.270 3.690 3.960 0.001 0.000 0.236 842 G HA3 -0.270 3.690 3.960 0.001 0.000 0.236 842 G C 0.039 174.856 174.900 -0.138 0.000 0.987 842 G CA 0.406 45.456 45.100 -0.085 0.000 0.635 842 G HN 0.355 nan 8.290 nan 0.000 0.520 843 I N 0.856 121.329 120.570 -0.161 0.000 2.924 843 I HA 0.726 4.896 4.170 0.001 0.000 0.316 843 I C 0.469 176.544 176.117 -0.069 0.000 1.014 843 I CA -0.854 60.294 61.300 -0.252 0.000 1.106 843 I CB 1.266 39.014 38.000 -0.420 0.000 1.311 843 I HN 0.623 nan 8.210 nan 0.000 0.502 844 Q N 1.083 120.877 119.800 -0.010 0.000 2.522 844 Q HA 0.765 5.106 4.340 0.001 0.000 0.285 844 Q C -1.269 174.856 176.000 0.208 0.000 0.982 844 Q CA -0.960 54.917 55.803 0.124 0.000 0.805 844 Q CB 2.612 31.394 28.738 0.074 0.000 1.457 844 Q HN 0.866 nan 8.270 nan 0.000 0.394 845 G N 0.449 109.439 108.800 0.318 0.000 2.488 845 G HA2 0.397 4.357 3.960 0.001 0.000 0.301 845 G HA3 0.397 4.357 3.960 0.001 0.000 0.301 845 G C -2.042 173.070 174.900 0.354 0.000 1.339 845 G CA -0.966 44.304 45.100 0.283 0.000 0.803 845 G HN 0.568 nan 8.290 nan 0.000 0.482 846 L N 0.403 121.820 121.223 0.323 0.000 2.357 846 L HA 0.832 5.172 4.340 0.001 0.000 0.273 846 L C 0.230 177.357 176.870 0.429 0.000 1.080 846 L CA -0.912 54.124 54.840 0.327 0.000 0.803 846 L CB 1.221 43.479 42.059 0.331 0.000 1.174 846 L HN 0.844 nan 8.230 nan 0.000 0.443 847 R N 2.444 123.091 120.500 0.244 0.000 2.651 847 R HA 0.593 4.933 4.340 0.001 0.000 0.278 847 R C -2.039 174.271 176.300 0.018 0.000 1.010 847 R CA -0.733 55.542 56.100 0.292 0.000 0.896 847 R CB 1.472 31.968 30.300 0.326 0.000 1.211 847 R HN 0.274 nan 8.270 nan 0.000 0.456 848 F N 2.195 122.313 119.950 0.280 0.000 2.520 848 F HA 0.588 5.115 4.527 0.001 0.000 0.322 848 F C -0.217 175.736 175.800 0.254 0.000 1.103 848 F CA -0.838 57.293 58.000 0.218 0.000 0.926 848 F CB 2.186 41.307 39.000 0.201 0.000 1.154 848 F HN 0.281 nan 8.300 nan 0.000 0.453 849 I N 4.981 125.819 120.570 0.447 0.000 2.466 849 I HA 0.535 4.705 4.170 0.001 0.000 0.289 849 I C -0.955 175.321 176.117 0.266 0.000 1.026 849 I CA -0.511 61.006 61.300 0.363 0.000 1.078 849 I CB 2.036 40.261 38.000 0.376 0.000 1.249 849 I HN 0.430 nan 8.210 nan 0.000 0.429 850 I N 5.249 125.937 120.570 0.196 0.000 2.656 850 I HA 0.344 4.515 4.170 0.001 0.000 0.292 850 I C -0.907 175.269 176.117 0.098 0.000 1.144 850 I CA -0.553 60.816 61.300 0.115 0.000 1.038 850 I CB 2.540 40.590 38.000 0.082 0.000 1.244 850 I HN 0.537 nan 8.210 nan 0.000 0.420 851 Q N 4.251 124.085 119.800 0.056 0.000 2.325 851 Q HA 0.688 5.029 4.340 0.001 0.000 0.270 851 Q C -1.281 174.746 176.000 0.045 0.000 1.020 851 Q CA -0.232 55.609 55.803 0.064 0.000 0.785 851 Q CB 2.095 30.867 28.738 0.056 0.000 1.259 851 Q HN 0.732 nan 8.270 nan 0.000 0.452 852 S N 2.049 117.776 115.700 0.045 0.000 2.656 852 S HA 0.207 4.677 4.470 0.001 0.000 0.273 852 S C -0.057 174.561 174.600 0.030 0.000 1.168 852 S CA -0.477 57.743 58.200 0.033 0.000 0.817 852 S CB 1.678 64.896 63.200 0.030 0.000 1.146 852 S HN 0.841 nan 8.310 nan 0.000 0.475 853 E N 0.503 120.714 120.200 0.019 0.000 2.299 853 E HA 0.091 4.442 4.350 0.001 0.000 0.193 853 E C -0.187 176.417 176.600 0.007 0.000 0.998 853 E CA 0.326 56.734 56.400 0.012 0.000 0.851 853 E CB 0.054 29.754 29.700 -0.001 0.000 0.795 853 E HN 0.337 nan 8.360 nan 0.000 0.492 854 K N 2.689 123.093 120.400 0.007 0.000 2.295 854 K HA 0.155 4.476 4.320 0.001 0.000 0.270 854 K C -2.248 174.365 176.600 0.021 0.000 1.011 854 K CA -1.808 54.478 56.287 -0.002 0.000 0.953 854 K CB 0.412 32.955 32.500 0.071 0.000 0.956 854 K HN 0.144 nan 8.250 nan 0.000 0.477 855 P HA 0.108 nan 4.420 nan 0.000 0.272 855 P C -2.172 175.120 177.300 -0.013 0.000 1.223 855 P CA -1.461 61.660 63.100 0.036 0.000 0.784 855 P CB 0.340 32.108 31.700 0.112 0.000 0.923 856 P HA -0.228 nan 4.420 nan 0.000 0.216 856 P C 1.626 178.870 177.300 -0.094 0.000 1.154 856 P CA 1.828 64.822 63.100 -0.176 0.000 0.865 856 P CB -0.611 30.808 31.700 -0.468 0.000 0.789 857 H N -2.395 116.739 119.070 0.106 0.000 2.421 857 H HA -0.166 4.391 4.556 0.001 0.000 0.298 857 H C 1.996 177.608 175.328 0.474 0.000 1.087 857 H CA 1.237 57.463 56.048 0.296 0.000 1.330 857 H CB -1.468 28.469 29.762 0.292 0.000 1.388 857 H HN 0.209 nan 8.280 nan 0.000 0.526 858 Y N 1.498 121.700 120.300 -0.162 0.000 2.243 858 Y HA -0.042 4.509 4.550 0.001 0.000 0.293 858 Y C 2.298 178.123 175.900 -0.125 0.000 1.124 858 Y CA 0.527 58.511 58.100 -0.194 0.000 1.159 858 Y CB -0.371 37.794 38.460 -0.492 0.000 1.008 858 Y HN 0.049 nan 8.280 nan 0.000 0.527 859 L N 0.843 121.991 121.223 -0.126 0.000 2.042 859 L HA -0.231 4.109 4.340 0.001 0.000 0.210 859 L C 2.458 179.243 176.870 -0.142 0.000 1.076 859 L CA 2.177 56.922 54.840 -0.159 0.000 0.749 859 L CB -1.321 40.703 42.059 -0.059 0.000 0.893 859 L HN 0.316 nan 8.230 nan 0.000 0.432 860 E N -1.350 118.832 120.200 -0.030 0.000 2.110 860 E HA -0.212 4.138 4.350 0.001 0.000 0.193 860 E C 2.457 179.050 176.600 -0.011 0.000 0.988 860 E CA 1.269 57.693 56.400 0.040 0.000 0.804 860 E CB -0.087 29.742 29.700 0.214 0.000 0.745 860 E HN 0.356 nan 8.360 nan 0.000 0.458 861 S N -0.503 115.192 115.700 -0.009 0.000 2.368 861 S HA -0.146 4.324 4.470 0.001 0.000 0.225 861 S C 1.892 176.391 174.600 -0.167 0.000 1.030 861 S CA 1.004 59.188 58.200 -0.026 0.000 0.999 861 S CB -0.133 63.104 63.200 0.062 0.000 0.844 861 S HN 0.185 nan 8.310 nan 0.000 0.459 862 R N 0.782 121.085 120.500 -0.328 0.000 2.092 862 R HA 0.093 4.433 4.340 0.001 0.000 0.231 862 R C 2.317 178.527 176.300 -0.150 0.000 1.119 862 R CA 0.968 56.898 56.100 -0.284 0.000 0.970 862 R CB -1.647 28.419 30.300 -0.390 0.000 0.864 862 R HN 0.403 nan 8.270 nan 0.000 0.440 863 V N 1.331 121.140 119.914 -0.175 0.000 2.343 863 V HA -0.207 3.913 4.120 0.001 0.000 0.247 863 V C 2.274 178.299 176.094 -0.115 0.000 1.051 863 V CA 1.853 64.017 62.300 -0.227 0.000 1.036 863 V CB -0.400 31.207 31.823 -0.360 0.000 0.654 863 V HN 0.195 nan 8.190 nan 0.000 0.451 864 E N 0.244 120.393 120.200 -0.085 0.000 2.106 864 E HA -0.128 4.223 4.350 0.001 0.000 0.192 864 E C 2.194 178.773 176.600 -0.035 0.000 0.984 864 E CA 1.389 57.755 56.400 -0.055 0.000 0.806 864 E CB -0.472 29.194 29.700 -0.057 0.000 0.750 864 E HN 0.550 nan 8.360 nan 0.000 0.458 865 A N -0.086 122.717 122.820 -0.028 0.000 1.898 865 A HA -0.155 4.165 4.320 0.001 0.000 0.216 865 A C 2.129 179.713 177.584 0.001 0.000 1.181 865 A CA 1.336 53.362 52.037 -0.017 0.000 0.620 865 A CB -0.902 18.083 19.000 -0.026 0.000 0.819 865 A HN 0.432 nan 8.150 nan 0.000 0.442 866 F N 0.742 120.629 119.950 -0.104 0.000 2.126 866 F HA -0.172 4.356 4.527 0.001 0.000 0.299 866 F C 1.821 177.591 175.800 -0.050 0.000 1.096 866 F CA 1.659 59.609 58.000 -0.083 0.000 1.255 866 F CB -0.330 38.605 39.000 -0.108 0.000 0.997 866 F HN 0.148 nan 8.300 nan 0.000 0.479 867 L N -0.338 120.762 121.223 -0.205 0.000 2.046 867 L HA -0.254 4.087 4.340 0.001 0.000 0.208 867 L C 2.489 179.247 176.870 -0.187 0.000 1.077 867 L CA 0.699 55.428 54.840 -0.184 0.000 0.747 867 L CB -0.700 41.379 42.059 0.032 0.000 0.896 867 L HN 0.158 nan 8.230 nan 0.000 0.432 868 I N -0.276 120.227 120.570 -0.111 0.000 2.179 868 I HA -0.259 3.912 4.170 0.001 0.000 0.242 868 I C 2.548 178.563 176.117 -0.169 0.000 1.088 868 I CA 1.699 62.949 61.300 -0.085 0.000 1.357 868 I CB -1.492 36.479 38.000 -0.048 0.000 1.051 868 I HN 0.244 nan 8.210 nan 0.000 0.409 869 T N 0.819 115.248 114.554 -0.207 0.000 2.833 869 T HA -0.149 4.202 4.350 0.001 0.000 0.269 869 T C 1.922 176.437 174.700 -0.309 0.000 1.054 869 T CA 1.112 63.085 62.100 -0.213 0.000 1.135 869 T CB -0.034 68.737 68.868 -0.161 0.000 0.869 869 T HN 0.098 nan 8.240 nan 0.000 0.466 870 M N 0.894 120.196 119.600 -0.497 0.000 2.156 870 M HA 0.052 4.532 4.480 0.001 0.000 0.264 870 M C 2.283 178.337 176.300 -0.410 0.000 1.067 870 M CA 1.131 56.127 55.300 -0.506 0.000 1.131 870 M CB -1.168 31.022 32.600 -0.683 0.000 1.368 870 M HN 0.351 nan 8.290 nan 0.000 0.416 871 E N 0.513 120.420 120.200 -0.488 0.000 2.097 871 E HA -0.303 4.047 4.350 0.001 0.000 0.196 871 E C 1.982 178.427 176.600 -0.259 0.000 1.000 871 E CA 1.900 57.996 56.400 -0.507 0.000 0.804 871 E CB 0.075 29.503 29.700 -0.453 0.000 0.740 871 E HN 0.250 nan 8.360 nan 0.000 0.454 872 K N 0.556 120.838 120.400 -0.197 0.000 2.026 872 K HA -0.114 4.206 4.320 0.001 0.000 0.208 872 K C 2.189 178.721 176.600 -0.115 0.000 1.048 872 K CA 1.720 57.932 56.287 -0.126 0.000 0.929 872 K CB -0.675 31.765 32.500 -0.101 0.000 0.713 872 K HN 0.065 nan 8.250 nan 0.000 0.439 873 S N -0.008 115.610 115.700 -0.137 0.000 2.374 873 S HA -0.142 4.329 4.470 0.001 0.000 0.227 873 S C 1.885 176.437 174.600 -0.080 0.000 1.037 873 S CA 1.678 59.818 58.200 -0.101 0.000 1.024 873 S CB -0.413 62.715 63.200 -0.121 0.000 0.861 873 S HN 0.395 nan 8.310 nan 0.000 0.456 874 I N 1.318 121.821 120.570 -0.112 0.000 2.315 874 I HA -0.099 4.071 4.170 0.001 0.000 0.248 874 I C 2.671 178.748 176.117 -0.067 0.000 1.117 874 I CA 1.049 62.306 61.300 -0.070 0.000 1.404 874 I CB -0.447 37.502 38.000 -0.086 0.000 1.071 874 I HN 0.309 nan 8.210 nan 0.000 0.419 875 E N 1.156 121.306 120.200 -0.083 0.000 2.038 875 E HA -0.222 4.128 4.350 0.001 0.000 0.195 875 E C 1.361 177.929 176.600 -0.053 0.000 1.000 875 E CA 1.429 57.788 56.400 -0.069 0.000 0.803 875 E CB -0.368 29.293 29.700 -0.066 0.000 0.750 875 E HN 0.509 nan 8.360 nan 0.000 0.448 876 D N 0.039 120.412 120.400 -0.045 0.000 2.349 876 D HA 0.012 4.652 4.640 0.001 0.000 0.224 876 D C 0.877 177.167 176.300 -0.018 0.000 1.029 876 D CA 0.123 54.105 54.000 -0.030 0.000 0.879 876 D CB -0.153 40.630 40.800 -0.028 0.000 0.906 876 D HN 0.134 nan 8.370 nan 0.000 0.528 877 M N 1.790 121.382 119.600 -0.013 0.000 2.219 877 M HA 0.031 4.512 4.480 0.001 0.000 0.353 877 M C 0.334 176.645 176.300 0.019 0.000 1.304 877 M CA -0.013 55.298 55.300 0.017 0.000 1.115 877 M CB 0.672 33.304 32.600 0.052 0.000 1.664 877 M HN -0.038 nan 8.290 nan 0.000 0.459 878 T N 0.680 115.251 114.554 0.028 0.000 2.868 878 T HA 0.128 4.478 4.350 0.001 0.000 0.292 878 T C 0.780 175.517 174.700 0.061 0.000 1.028 878 T CA -0.603 61.513 62.100 0.026 0.000 1.059 878 T CB 1.242 70.121 68.868 0.018 0.000 0.991 878 T HN 0.798 nan 8.240 nan 0.000 0.531 879 E N 0.659 120.889 120.200 0.049 0.000 2.085 879 E HA -0.209 4.141 4.350 0.001 0.000 0.194 879 E C 1.977 178.646 176.600 0.115 0.000 0.994 879 E CA 1.999 58.454 56.400 0.092 0.000 0.801 879 E CB -0.374 29.357 29.700 0.051 0.000 0.743 879 E HN 0.918 nan 8.360 nan 0.000 0.453 880 E N -0.605 119.627 120.200 0.054 0.000 2.077 880 E HA -0.219 4.131 4.350 0.001 0.000 0.193 880 E C 1.905 178.493 176.600 -0.020 0.000 0.989 880 E CA 1.175 57.586 56.400 0.019 0.000 0.800 880 E CB -0.253 29.451 29.700 0.006 0.000 0.746 880 E HN 0.319 nan 8.360 nan 0.000 0.452 881 A N 0.717 123.532 122.820 -0.009 0.000 1.873 881 A HA -0.164 4.156 4.320 0.001 0.000 0.215 881 A C 2.020 179.564 177.584 -0.066 0.000 1.186 881 A CA 1.311 53.300 52.037 -0.079 0.000 0.616 881 A CB -0.985 18.003 19.000 -0.021 0.000 0.823 881 A HN 0.514 nan 8.150 nan 0.000 0.442 882 F N 0.580 120.504 119.950 -0.043 0.000 2.091 882 F HA -0.254 4.274 4.527 0.001 0.000 0.299 882 F C 2.365 178.159 175.800 -0.010 0.000 1.103 882 F CA 2.449 60.463 58.000 0.022 0.000 1.228 882 F CB -0.476 38.535 39.000 0.019 0.000 0.984 882 F HN 0.265 nan 8.300 nan 0.000 0.477 883 Q N 0.684 120.443 119.800 -0.068 0.000 2.226 883 Q HA -0.159 4.181 4.340 0.001 0.000 0.204 883 Q C 2.148 178.012 176.000 -0.226 0.000 0.975 883 Q CA 1.550 57.258 55.803 -0.159 0.000 0.866 883 Q CB -0.248 28.480 28.738 -0.016 0.000 0.915 883 Q HN 0.415 nan 8.270 nan 0.000 0.440 884 K N -1.071 119.167 120.400 -0.269 0.000 2.026 884 K HA -0.162 4.158 4.320 0.001 0.000 0.208 884 K C 1.994 178.349 176.600 -0.408 0.000 1.048 884 K CA 1.301 57.360 56.287 -0.381 0.000 0.929 884 K CB -0.148 32.034 32.500 -0.529 0.000 0.713 884 K HN 0.389 nan 8.250 nan 0.000 0.439 885 H N 0.695 119.577 119.070 -0.314 0.000 2.321 885 H HA -0.066 4.491 4.556 0.001 0.000 0.300 885 H C 2.237 177.385 175.328 -0.301 0.000 1.087 885 H CA 1.198 57.064 56.048 -0.304 0.000 1.319 885 H CB -0.269 29.316 29.762 -0.295 0.000 1.379 885 H HN 0.161 nan 8.280 nan 0.000 0.501 886 I N 0.727 121.132 120.570 -0.275 0.000 2.151 886 I HA -0.319 3.852 4.170 0.001 0.000 0.243 886 I C 2.702 178.729 176.117 -0.151 0.000 1.080 886 I CA 1.507 62.654 61.300 -0.255 0.000 1.339 886 I CB -0.177 37.626 38.000 -0.328 0.000 1.039 886 I HN 0.192 nan 8.210 nan 0.000 0.409 887 Q N 1.086 120.794 119.800 -0.154 0.000 2.124 887 Q HA -0.149 4.192 4.340 0.001 0.000 0.202 887 Q C 2.101 178.045 176.000 -0.092 0.000 0.977 887 Q CA 2.176 57.917 55.803 -0.104 0.000 0.850 887 Q CB -0.311 28.366 28.738 -0.102 0.000 0.901 887 Q HN 0.498 nan 8.270 nan 0.000 0.429 888 A N 0.218 122.961 122.820 -0.130 0.000 1.877 888 A HA -0.137 4.183 4.320 0.001 0.000 0.216 888 A C 2.149 179.699 177.584 -0.057 0.000 1.186 888 A CA 1.341 53.315 52.037 -0.106 0.000 0.620 888 A CB -0.864 18.055 19.000 -0.135 0.000 0.822 888 A HN 0.483 nan 8.150 nan 0.000 0.443 889 L N -0.831 120.358 121.223 -0.056 0.000 2.083 889 L HA -0.176 4.164 4.340 0.001 0.000 0.209 889 L C 2.977 179.833 176.870 -0.024 0.000 1.083 889 L CA 1.186 56.004 54.840 -0.038 0.000 0.752 889 L CB -0.430 41.602 42.059 -0.045 0.000 0.899 889 L HN 0.458 nan 8.230 nan 0.000 0.433 890 A N 0.408 123.210 122.820 -0.031 0.000 1.865 890 A HA -0.254 4.067 4.320 0.001 0.000 0.217 890 A C 2.062 179.648 177.584 0.004 0.000 1.191 890 A CA 1.972 54.001 52.037 -0.013 0.000 0.623 890 A CB -0.802 18.186 19.000 -0.019 0.000 0.826 890 A HN 0.451 nan 8.150 nan 0.000 0.444 891 I N -1.313 119.260 120.570 0.004 0.000 2.361 891 I HA -0.228 3.942 4.170 0.001 0.000 0.251 891 I C 2.667 178.802 176.117 0.029 0.000 1.133 891 I CA 1.561 62.877 61.300 0.026 0.000 1.413 891 I CB -0.241 37.776 38.000 0.028 0.000 1.073 891 I HN 0.284 nan 8.210 nan 0.000 0.424 892 R N 0.983 121.491 120.500 0.015 0.000 2.073 892 R HA -0.080 4.260 4.340 0.001 0.000 0.234 892 R C 2.342 178.654 176.300 0.018 0.000 1.134 892 R CA 1.379 57.489 56.100 0.017 0.000 0.952 892 R CB -0.086 30.217 30.300 0.005 0.000 0.850 892 R HN 0.089 nan 8.270 nan 0.000 0.433 893 R N -0.007 120.501 120.500 0.013 0.000 2.193 893 R HA 0.053 4.393 4.340 0.001 0.000 0.213 893 R C 1.869 178.182 176.300 0.022 0.000 1.055 893 R CA 0.802 56.910 56.100 0.013 0.000 0.995 893 R CB -0.179 30.125 30.300 0.007 0.000 0.893 893 R HN 0.330 nan 8.270 nan 0.000 0.459 894 L N 0.642 121.882 121.223 0.029 0.000 2.567 894 L HA 0.071 4.411 4.340 0.001 0.000 0.225 894 L C 0.316 177.212 176.870 0.044 0.000 1.119 894 L CA -0.254 54.609 54.840 0.039 0.000 0.871 894 L CB -0.131 41.953 42.059 0.042 0.000 1.036 894 L HN -0.056 nan 8.230 nan 0.000 0.459 895 D N 2.487 122.912 120.400 0.042 0.000 2.502 895 D HA -0.052 4.588 4.640 0.001 0.000 0.249 895 D C 0.104 176.427 176.300 0.039 0.000 1.188 895 D CA 0.567 54.594 54.000 0.045 0.000 0.890 895 D CB 0.546 41.371 40.800 0.043 0.000 1.140 895 D HN 0.025 nan 8.370 nan 0.000 0.505 896 K N 5.360 125.784 120.400 0.040 0.000 2.237 896 K HA 0.247 4.568 4.320 0.001 0.000 0.270 896 K C -1.974 174.656 176.600 0.049 0.000 1.015 896 K CA -1.468 54.844 56.287 0.043 0.000 0.949 896 K CB 0.475 32.997 32.500 0.037 0.000 0.976 896 K HN 0.449 nan 8.250 nan 0.000 0.472 897 P HA 0.026 nan 4.420 nan 0.000 0.271 897 P C -0.366 177.013 177.300 0.133 0.000 1.216 897 P CA -0.168 62.971 63.100 0.066 0.000 0.776 897 P CB 0.758 32.495 31.700 0.061 0.000 0.881 898 K N 1.607 122.028 120.400 0.036 0.000 2.323 898 K HA 0.061 4.382 4.320 0.001 0.000 0.197 898 K C 0.997 177.518 176.600 -0.131 0.000 1.043 898 K CA 0.966 57.276 56.287 0.039 0.000 0.997 898 K CB 0.117 32.589 32.500 -0.046 0.000 0.807 898 K HN 0.597 nan 8.250 nan 0.000 0.497 899 K N -0.488 119.661 120.400 -0.418 0.000 2.444 899 K HA 0.283 4.604 4.320 0.001 0.000 0.252 899 K C 0.668 176.580 176.600 -1.146 0.000 0.993 899 K CA -0.766 54.961 56.287 -0.934 0.000 0.847 899 K CB 1.493 33.696 32.500 -0.495 0.000 1.340 899 K HN -0.214 nan 8.250 nan 0.000 0.446 900 L N 1.506 121.951 121.223 -1.296 0.000 2.043 900 L HA -0.173 4.168 4.340 0.001 0.000 0.212 900 L C 1.999 178.679 176.870 -0.317 0.000 1.075 900 L CA 2.070 56.517 54.840 -0.655 0.000 0.752 900 L CB -0.543 41.234 42.059 -0.471 0.000 0.891 900 L HN 0.892 nan 8.230 nan 0.000 0.432 901 S N -0.563 114.956 115.700 -0.301 0.000 2.370 901 S HA -0.173 4.297 4.470 0.001 0.000 0.226 901 S C 2.057 176.578 174.600 -0.131 0.000 1.033 901 S CA 1.145 59.236 58.200 -0.182 0.000 1.011 901 S CB -0.524 62.573 63.200 -0.173 0.000 0.852 901 S HN 0.697 nan 8.310 nan 0.000 0.457 902 A N 1.001 123.728 122.820 -0.155 0.000 1.930 902 A HA -0.107 4.213 4.320 0.001 0.000 0.217 902 A C 2.020 179.543 177.584 -0.102 0.000 1.175 902 A CA 1.566 53.539 52.037 -0.105 0.000 0.627 902 A CB -0.479 18.462 19.000 -0.099 0.000 0.815 902 A HN 0.604 nan 8.150 nan 0.000 0.443 903 E N -0.776 119.368 120.200 -0.093 0.000 2.046 903 E HA -0.186 4.164 4.350 0.001 0.000 0.190 903 E C 2.079 178.485 176.600 -0.324 0.000 0.982 903 E CA 1.200 57.492 56.400 -0.180 0.000 0.800 903 E CB -0.293 29.450 29.700 0.071 0.000 0.756 903 E HN 0.584 nan 8.360 nan 0.000 0.449 904 C N 0.558 119.858 119.300 -0.000 0.000 2.413 904 C HA -0.064 4.396 4.460 0.001 0.000 0.276 904 C C 2.918 177.960 174.990 0.087 0.000 1.236 904 C CA 1.438 60.547 59.018 0.152 0.000 1.735 904 C CB -1.157 26.687 27.740 0.172 0.000 2.031 904 C HN 0.599 nan 8.230 nan 0.000 0.474 905 A N -0.018 122.821 122.820 0.031 0.000 1.940 905 A HA -0.236 4.084 4.320 0.001 0.000 0.219 905 A C 2.337 179.975 177.584 0.091 0.000 1.176 905 A CA 2.112 54.204 52.037 0.091 0.000 0.631 905 A CB -0.777 18.240 19.000 0.028 0.000 0.814 905 A HN 0.776 nan 8.150 nan 0.000 0.446 906 K N -1.381 118.996 120.400 -0.039 0.000 2.097 906 K HA -0.139 4.181 4.320 0.001 0.000 0.205 906 K C 1.778 178.430 176.600 0.087 0.000 1.050 906 K CA 1.569 57.828 56.287 -0.047 0.000 0.938 906 K CB -0.278 32.130 32.500 -0.153 0.000 0.718 906 K HN 0.720 nan 8.250 nan 0.000 0.442 907 Y N -1.189 119.189 120.300 0.131 0.000 2.263 907 Y HA -0.219 4.331 4.550 0.001 0.000 0.292 907 Y C 2.314 178.343 175.900 0.216 0.000 1.130 907 Y CA 0.199 58.414 58.100 0.191 0.000 1.179 907 Y CB -0.197 38.270 38.460 0.011 0.000 0.998 907 Y HN 0.309 nan 8.280 nan 0.000 0.532 908 W N 1.419 122.801 121.300 0.136 0.000 2.350 908 W HA -0.176 4.484 4.660 0.001 0.000 0.289 908 W C 1.986 178.485 176.519 -0.033 0.000 1.215 908 W CA 1.349 58.722 57.345 0.047 0.000 1.236 908 W CB -0.321 29.165 29.460 0.043 0.000 1.130 908 W HN 0.141 nan 8.180 nan 0.000 0.541 909 G N 0.497 109.300 108.800 0.004 0.000 2.418 909 G HA2 -0.288 3.673 3.960 0.001 0.000 0.217 909 G HA3 -0.288 3.673 3.960 0.001 0.000 0.217 909 G C 1.292 176.017 174.900 -0.290 0.000 1.158 909 G CA 0.912 45.915 45.100 -0.162 0.000 0.771 909 G HN 0.191 nan 8.290 nan 0.000 0.545 910 E N 0.396 120.441 120.200 -0.259 0.000 2.153 910 E HA -0.048 4.302 4.350 0.001 0.000 0.194 910 E C 2.538 178.661 176.600 -0.795 0.000 0.988 910 E CA 0.507 56.615 56.400 -0.487 0.000 0.811 910 E CB -0.100 29.267 29.700 -0.555 0.000 0.746 910 E HN 0.541 nan 8.360 nan 0.000 0.466 911 I N 0.604 120.768 120.570 -0.677 0.000 2.235 911 I HA -0.185 3.986 4.170 0.001 0.000 0.241 911 I C 2.213 177.892 176.117 -0.729 0.000 1.085 911 I CA 0.444 61.249 61.300 -0.825 0.000 1.378 911 I CB -0.131 37.565 38.000 -0.507 0.000 1.076 911 I HN 0.024 nan 8.210 nan 0.000 0.415 912 I N 1.018 121.131 120.570 -0.761 0.000 2.264 912 I HA -0.243 3.928 4.170 0.001 0.000 0.248 912 I C 2.670 178.576 176.117 -0.352 0.000 1.111 912 I CA 1.864 62.811 61.300 -0.588 0.000 1.382 912 I CB -1.213 36.363 38.000 -0.707 0.000 1.060 912 I HN 0.328 nan 8.210 nan 0.000 0.418 913 S N 0.061 115.523 115.700 -0.397 0.000 2.562 913 S HA -0.061 4.410 4.470 0.001 0.000 0.221 913 S C 0.981 175.379 174.600 -0.336 0.000 0.975 913 S CA -0.049 57.978 58.200 -0.288 0.000 0.918 913 S CB -0.197 62.842 63.200 -0.267 0.000 0.772 913 S HN 0.544 nan 8.310 nan 0.000 0.531 914 Q N -0.241 119.217 119.800 -0.569 0.000 2.481 914 Q HA -0.253 4.087 4.340 0.001 0.000 0.272 914 Q C 0.662 176.341 176.000 -0.536 0.000 1.157 914 Q CA 1.113 56.508 55.803 -0.681 0.000 0.935 914 Q CB -1.838 26.814 28.738 -0.142 0.000 1.338 914 Q HN 0.750 nan 8.270 nan 0.000 0.494 915 Q N -1.246 118.178 119.800 -0.626 0.000 2.392 915 Q HA 0.023 4.363 4.340 0.001 0.000 0.219 915 Q C -0.361 175.455 176.000 -0.306 0.000 0.895 915 Q CA 0.224 55.835 55.803 -0.319 0.000 0.929 915 Q CB 0.484 29.052 28.738 -0.283 0.000 1.077 915 Q HN 0.547 nan 8.270 nan 0.000 0.532 916 Y N 0.456 120.445 120.300 -0.519 0.000 3.305 916 Y HA -0.261 4.289 4.550 0.001 0.000 0.214 916 Y C 0.145 175.442 175.900 -1.005 0.000 1.185 916 Y CA 0.370 57.912 58.100 -0.930 0.000 1.326 916 Y CB -2.017 36.065 38.460 -0.630 0.000 1.367 916 Y HN 0.139 nan 8.280 nan 0.000 0.588 917 N N 0.703 118.957 118.700 -0.744 0.000 3.083 917 N HA 0.181 4.921 4.740 0.001 0.000 0.260 917 N C 0.338 175.475 175.510 -0.622 0.000 1.163 917 N CA -0.404 52.208 53.050 -0.731 0.000 1.060 917 N CB -0.348 37.743 38.487 -0.660 0.000 1.345 917 N HN 0.164 nan 8.380 nan 0.000 0.515 918 F N -0.172 119.517 119.950 -0.436 0.000 2.451 918 F HA 0.022 4.549 4.527 0.001 0.000 0.299 918 F C 1.687 176.954 175.800 -0.888 0.000 1.101 918 F CA 0.412 58.031 58.000 -0.635 0.000 1.436 918 F CB 0.030 38.511 39.000 -0.864 0.000 1.074 918 F HN 0.342 nan 8.300 nan 0.000 0.553 919 D N -0.539 119.583 120.400 -0.464 0.000 2.463 919 D HA 0.050 4.690 4.640 0.001 0.000 0.224 919 D C 2.095 178.316 176.300 -0.132 0.000 1.174 919 D CA -0.063 53.799 54.000 -0.231 0.000 0.829 919 D CB -0.054 40.740 40.800 -0.010 0.000 0.993 919 D HN 0.030 nan 8.370 nan 0.000 0.497 920 R N 0.432 120.812 120.500 -0.200 0.000 2.097 920 R HA -0.186 4.154 4.340 0.001 0.000 0.236 920 R C 0.882 177.140 176.300 -0.070 0.000 1.135 920 R CA 1.994 57.996 56.100 -0.164 0.000 0.934 920 R CB -0.089 30.100 30.300 -0.185 0.000 0.846 920 R HN 0.111 nan 8.270 nan 0.000 0.431 921 D N 0.130 120.512 120.400 -0.030 0.000 2.133 921 D HA -0.189 4.452 4.640 0.001 0.000 0.192 921 D C 1.659 177.973 176.300 0.023 0.000 1.001 921 D CA 1.893 55.896 54.000 0.005 0.000 0.844 921 D CB -0.629 40.191 40.800 0.032 0.000 0.944 921 D HN 0.465 nan 8.370 nan 0.000 0.447 922 N N -0.406 118.320 118.700 0.043 0.000 2.084 922 N HA -0.103 4.637 4.740 0.001 0.000 0.190 922 N C 1.812 177.348 175.510 0.043 0.000 1.030 922 N CA 1.614 54.697 53.050 0.054 0.000 0.849 922 N CB -0.195 38.342 38.487 0.083 0.000 1.012 922 N HN 0.053 nan 8.380 nan 0.000 0.423 923 T N 1.393 115.963 114.554 0.026 0.000 2.622 923 T HA -0.149 4.201 4.350 0.001 0.000 0.266 923 T C 1.535 176.257 174.700 0.038 0.000 1.047 923 T CA 1.304 63.419 62.100 0.025 0.000 1.159 923 T CB -0.337 68.522 68.868 -0.015 0.000 0.863 923 T HN 0.346 nan 8.240 nan 0.000 0.422 924 E N 0.677 120.881 120.200 0.006 0.000 2.110 924 E HA -0.081 4.270 4.350 0.001 0.000 0.193 924 E C 2.381 179.024 176.600 0.071 0.000 0.988 924 E CA 0.925 57.340 56.400 0.025 0.000 0.804 924 E CB -0.392 29.294 29.700 -0.023 0.000 0.745 924 E HN 0.312 nan 8.360 nan 0.000 0.458 925 V N 1.690 121.630 119.914 0.044 0.000 2.453 925 V HA -0.194 3.927 4.120 0.001 0.000 0.247 925 V C 2.461 178.578 176.094 0.039 0.000 1.048 925 V CA 1.609 63.930 62.300 0.034 0.000 1.049 925 V CB -0.638 31.199 31.823 0.024 0.000 0.672 925 V HN 0.285 nan 8.190 nan 0.000 0.457 926 A N -0.696 122.157 122.820 0.055 0.000 1.908 926 A HA -0.291 4.030 4.320 0.001 0.000 0.218 926 A C 2.168 179.787 177.584 0.058 0.000 1.181 926 A CA 2.251 54.319 52.037 0.052 0.000 0.627 926 A CB -0.773 18.265 19.000 0.063 0.000 0.818 926 A HN 0.652 nan 8.150 nan 0.000 0.445 927 Y N 0.096 120.378 120.300 -0.029 0.000 2.163 927 Y HA -0.124 4.427 4.550 0.001 0.000 0.288 927 Y C 2.064 177.937 175.900 -0.044 0.000 1.136 927 Y CA 1.535 59.608 58.100 -0.045 0.000 1.147 927 Y CB -0.171 38.240 38.460 -0.082 0.000 0.987 927 Y HN 0.243 nan 8.280 nan 0.000 0.509 928 L N 1.081 122.306 121.223 0.004 0.000 2.081 928 L HA -0.269 4.071 4.340 0.001 0.000 0.212 928 L C 1.640 178.444 176.870 -0.111 0.000 1.080 928 L CA 2.138 56.944 54.840 -0.055 0.000 0.754 928 L CB -0.718 41.346 42.059 0.007 0.000 0.893 928 L HN 0.373 nan 8.230 nan 0.000 0.433 929 K N -0.735 119.613 120.400 -0.087 0.000 2.439 929 K HA -0.094 4.226 4.320 0.001 0.000 0.197 929 K C 1.745 178.301 176.600 -0.073 0.000 1.041 929 K CA 1.418 57.665 56.287 -0.067 0.000 0.970 929 K CB -0.052 32.426 32.500 -0.036 0.000 0.773 929 K HN 0.546 nan 8.250 nan 0.000 0.479 930 T N -1.231 113.227 114.554 -0.160 0.000 3.044 930 T HA 0.096 4.447 4.350 0.001 0.000 0.250 930 T C 0.562 175.192 174.700 -0.116 0.000 1.081 930 T CA -0.339 61.672 62.100 -0.147 0.000 1.040 930 T CB 0.071 68.807 68.868 -0.219 0.000 0.962 930 T HN -0.176 nan 8.240 nan 0.000 0.506 931 L N 3.825 124.977 121.223 -0.118 0.000 2.483 931 L HA 0.390 4.731 4.340 0.001 0.000 0.276 931 L C 1.055 178.074 176.870 0.248 0.000 1.213 931 L CA 0.491 55.370 54.840 0.064 0.000 0.843 931 L CB 0.918 43.062 42.059 0.142 0.000 1.107 931 L HN 0.510 nan 8.230 nan 0.000 0.487 932 T N -1.026 113.641 114.554 0.188 0.000 2.940 932 T HA 0.362 4.713 4.350 0.001 0.000 0.288 932 T C 0.880 175.370 174.700 -0.350 0.000 1.045 932 T CA -0.817 61.289 62.100 0.011 0.000 1.018 932 T CB 1.217 70.054 68.868 -0.051 0.000 1.151 932 T HN 0.547 nan 8.240 nan 0.000 0.529 933 K N 0.035 119.830 120.400 -1.008 0.000 2.147 933 K HA -0.146 4.175 4.320 0.001 0.000 0.205 933 K C 2.091 178.477 176.600 -0.356 0.000 1.049 933 K CA 1.620 57.286 56.287 -1.034 0.000 0.936 933 K CB -0.119 31.826 32.500 -0.924 0.000 0.722 933 K HN 0.820 nan 8.250 nan 0.000 0.446 934 E N 0.606 120.663 120.200 -0.237 0.000 2.077 934 E HA -0.210 4.141 4.350 0.001 0.000 0.193 934 E C 1.324 177.889 176.600 -0.059 0.000 0.989 934 E CA 1.671 58.003 56.400 -0.113 0.000 0.800 934 E CB 0.096 29.748 29.700 -0.080 0.000 0.746 934 E HN 0.301 nan 8.360 nan 0.000 0.452 935 D N 0.758 121.139 120.400 -0.032 0.000 2.092 935 D HA -0.185 4.455 4.640 0.001 0.000 0.193 935 D C 2.028 178.289 176.300 -0.065 0.000 0.994 935 D CA 0.962 54.953 54.000 -0.015 0.000 0.828 935 D CB -0.174 40.702 40.800 0.128 0.000 0.963 935 D HN 0.266 nan 8.370 nan 0.000 0.450 936 I N 1.588 122.182 120.570 0.041 0.000 2.208 936 I HA -0.228 3.943 4.170 0.001 0.000 0.245 936 I C 2.492 178.709 176.117 0.167 0.000 1.097 936 I CA 0.781 62.173 61.300 0.154 0.000 1.363 936 I CB -0.840 37.336 38.000 0.293 0.000 1.051 936 I HN 0.039 nan 8.210 nan 0.000 0.413 937 I N 0.768 121.384 120.570 0.076 0.000 2.179 937 I HA -0.284 3.886 4.170 0.001 0.000 0.242 937 I C 2.525 178.684 176.117 0.070 0.000 1.088 937 I CA 1.278 62.626 61.300 0.080 0.000 1.357 937 I CB -1.175 36.830 38.000 0.009 0.000 1.051 937 I HN 0.209 nan 8.210 nan 0.000 0.409 938 K N 1.379 121.782 120.400 0.005 0.000 2.044 938 K HA -0.258 4.062 4.320 0.001 0.000 0.210 938 K C 2.184 178.746 176.600 -0.063 0.000 1.049 938 K CA 1.665 57.932 56.287 -0.033 0.000 0.927 938 K CB -0.783 31.689 32.500 -0.046 0.000 0.713 938 K HN 0.159 nan 8.250 nan 0.000 0.443 939 F N 0.148 119.946 119.950 -0.254 0.000 2.102 939 F HA -0.203 4.324 4.527 0.001 0.000 0.298 939 F C 2.122 177.770 175.800 -0.253 0.000 1.105 939 F CA 1.850 59.653 58.000 -0.329 0.000 1.239 939 F CB -0.884 37.816 39.000 -0.500 0.000 0.991 939 F HN 0.243 nan 8.300 nan 0.000 0.474 940 Y N 1.072 121.124 120.300 -0.413 0.000 2.274 940 Y HA -0.130 4.420 4.550 0.001 0.000 0.290 940 Y C 2.162 177.814 175.900 -0.413 0.000 1.145 940 Y CA 1.881 59.655 58.100 -0.543 0.000 1.203 940 Y CB -0.440 37.865 38.460 -0.258 0.000 0.984 940 Y HN 0.042 nan 8.280 nan 0.000 0.533 941 K N -0.119 120.092 120.400 -0.314 0.000 2.296 941 K HA -0.113 4.207 4.320 0.001 0.000 0.200 941 K C 1.903 178.291 176.600 -0.353 0.000 1.048 941 K CA 1.201 57.295 56.287 -0.322 0.000 0.966 941 K CB 0.047 32.479 32.500 -0.112 0.000 0.754 941 K HN 0.434 nan 8.250 nan 0.000 0.466 942 E N -0.486 119.498 120.200 -0.360 0.000 2.251 942 E HA 0.016 4.366 4.350 0.001 0.000 0.194 942 E C 1.476 177.845 176.600 -0.384 0.000 0.964 942 E CA 0.392 56.612 56.400 -0.300 0.000 0.868 942 E CB 0.494 30.077 29.700 -0.195 0.000 0.828 942 E HN 0.118 nan 8.360 nan 0.000 0.481 943 M N -0.462 118.794 119.600 -0.574 0.000 2.740 943 M HA 0.145 4.625 4.480 0.001 0.000 0.253 943 M C 1.928 177.859 176.300 -0.615 0.000 1.341 943 M CA 0.548 55.498 55.300 -0.583 0.000 1.176 943 M CB -0.044 32.143 32.600 -0.689 0.000 1.310 943 M HN 0.070 nan 8.290 nan 0.000 0.531 944 L N -0.032 120.700 121.223 -0.818 0.000 2.362 944 L HA 0.391 4.731 4.340 0.001 0.000 0.204 944 L C 1.329 177.672 176.870 -0.880 0.000 1.060 944 L CA -0.127 54.213 54.840 -0.833 0.000 0.827 944 L CB -0.695 40.851 42.059 -0.856 0.000 1.027 944 L HN 0.086 nan 8.230 nan 0.000 0.474 945 A N 0.542 122.644 122.820 -1.197 0.000 2.586 945 A HA -0.023 4.297 4.320 0.001 0.000 0.231 945 A C 1.410 178.708 177.584 -0.477 0.000 1.055 945 A CA 0.282 51.763 52.037 -0.927 0.000 0.756 945 A CB 0.298 18.811 19.000 -0.812 0.000 0.988 945 A HN 0.059 nan 8.150 nan 0.000 0.509 946 V N 1.060 120.788 119.914 -0.309 0.000 2.660 946 V HA -0.151 3.969 4.120 0.001 0.000 0.257 946 V C 1.101 177.086 176.094 -0.182 0.000 1.088 946 V CA 2.623 64.796 62.300 -0.211 0.000 1.106 946 V CB -0.471 31.266 31.823 -0.144 0.000 0.686 946 V HN 0.859 nan 8.190 nan 0.000 0.481 947 D N -0.178 120.107 120.400 -0.191 0.000 2.402 947 D HA 0.277 4.917 4.640 0.001 0.000 0.216 947 D C 0.707 176.900 176.300 -0.178 0.000 1.128 947 D CA 0.573 54.483 54.000 -0.150 0.000 0.833 947 D CB 0.420 41.151 40.800 -0.114 0.000 0.971 947 D HN 0.486 nan 8.370 nan 0.000 0.503 948 A N 2.426 125.095 122.820 -0.251 0.000 2.540 948 A HA 0.146 4.466 4.320 0.001 0.000 0.239 948 A C -0.988 176.474 177.584 -0.204 0.000 1.061 948 A CA -0.618 51.255 52.037 -0.273 0.000 0.758 948 A CB 0.459 19.228 19.000 -0.385 0.000 0.991 948 A HN -0.021 nan 8.150 nan 0.000 0.502 949 P HA -0.063 nan 4.420 nan 0.000 0.225 949 P C 0.479 177.700 177.300 -0.131 0.000 1.156 949 P CA 1.006 64.035 63.100 -0.118 0.000 0.787 949 P CB 0.272 31.920 31.700 -0.087 0.000 0.802 950 R N -0.030 120.346 120.500 -0.207 0.000 2.865 950 R HA 0.258 4.599 4.340 0.001 0.000 0.370 950 R C 0.473 176.374 176.300 -0.665 0.000 1.168 950 R CA -0.449 55.472 56.100 -0.297 0.000 1.058 950 R CB 0.476 30.681 30.300 -0.159 0.000 1.419 950 R HN 0.086 nan 8.270 nan 0.000 0.580 951 R N 0.749 120.965 120.500 -0.473 0.000 2.340 951 R HA 0.119 4.459 4.340 0.001 0.000 0.300 951 R C -0.777 175.299 176.300 -0.374 0.000 1.069 951 R CA -0.012 55.841 56.100 -0.411 0.000 0.984 951 R CB 0.449 30.624 30.300 -0.208 0.000 1.003 951 R HN 0.323 nan 8.270 nan 0.000 0.459 952 H N 2.911 122.030 119.070 0.081 0.000 2.791 952 H HA 0.213 4.770 4.556 0.001 0.000 0.272 952 H C -0.766 174.638 175.328 0.127 0.000 1.188 952 H CA -0.682 55.444 56.048 0.130 0.000 1.436 952 H CB 1.080 30.902 29.762 0.100 0.000 1.467 952 H HN 0.228 nan 8.280 nan 0.000 0.500 953 K N 2.855 123.430 120.400 0.291 0.000 2.244 953 K HA 0.583 4.903 4.320 0.001 0.000 0.260 953 K C -1.360 175.529 176.600 0.482 0.000 0.951 953 K CA -0.945 55.467 56.287 0.207 0.000 0.826 953 K CB 1.999 34.501 32.500 0.003 0.000 1.108 953 K HN 0.337 nan 8.250 nan 0.000 0.433 954 V N 2.920 123.058 119.914 0.373 0.000 2.623 954 V HA 0.533 4.654 4.120 0.001 0.000 0.304 954 V C -1.537 174.773 176.094 0.360 0.000 1.054 954 V CA -0.248 62.311 62.300 0.433 0.000 0.882 954 V CB 2.102 34.136 31.823 0.351 0.000 1.002 954 V HN 0.846 nan 8.190 nan 0.000 0.424 955 S N 4.838 120.760 115.700 0.369 0.000 2.503 955 S HA 0.778 5.248 4.470 0.001 0.000 0.301 955 S C -0.772 173.986 174.600 0.264 0.000 1.087 955 S CA -0.602 57.821 58.200 0.372 0.000 1.042 955 S CB 1.898 65.447 63.200 0.581 0.000 1.043 955 S HN 0.759 nan 8.310 nan 0.000 0.489 956 V N 3.874 124.009 119.914 0.368 0.000 2.357 956 V HA 0.363 4.484 4.120 0.001 0.000 0.284 956 V C -1.102 175.301 176.094 0.516 0.000 1.018 956 V CA -0.677 61.842 62.300 0.364 0.000 0.841 956 V CB 0.905 32.958 31.823 0.384 0.000 0.991 956 V HN 0.792 nan 8.190 nan 0.000 0.437 957 H N 3.257 122.411 119.070 0.140 0.000 2.541 957 H HA 0.573 5.129 4.556 0.001 0.000 0.316 957 H C -0.437 174.956 175.328 0.109 0.000 1.043 957 H CA -0.791 55.333 56.048 0.125 0.000 1.232 957 H CB 1.711 31.524 29.762 0.085 0.000 1.406 957 H HN 0.361 nan 8.280 nan 0.000 0.469 958 V N 6.030 126.101 119.914 0.261 0.000 2.313 958 V HA 0.203 4.323 4.120 0.001 0.000 0.278 958 V C 0.366 176.560 176.094 0.166 0.000 1.017 958 V CA -0.654 61.786 62.300 0.235 0.000 0.823 958 V CB 0.686 32.690 31.823 0.301 0.000 1.010 958 V HN 0.563 nan 8.190 nan 0.000 0.443 959 L N 3.549 124.855 121.223 0.138 0.000 2.453 959 L HA 0.597 4.938 4.340 0.001 0.000 0.261 959 L C 1.041 177.970 176.870 0.099 0.000 1.179 959 L CA -0.171 54.735 54.840 0.110 0.000 0.813 959 L CB 0.575 42.689 42.059 0.092 0.000 1.110 959 L HN 0.687 nan 8.230 nan 0.000 0.466 960 A N 1.746 124.615 122.820 0.082 0.000 2.366 960 A HA 0.161 4.481 4.320 0.001 0.000 0.249 960 A C 1.353 178.975 177.584 0.062 0.000 1.084 960 A CA -0.171 51.908 52.037 0.071 0.000 0.794 960 A CB 0.218 19.253 19.000 0.058 0.000 1.034 960 A HN 0.933 nan 8.150 nan 0.000 0.491 961 R N 0.053 120.587 120.500 0.056 0.000 2.140 961 R HA -0.191 4.149 4.340 0.001 0.000 0.250 961 R C 0.159 176.479 176.300 0.033 0.000 1.150 961 R CA 2.276 58.401 56.100 0.041 0.000 0.966 961 R CB -0.098 30.214 30.300 0.020 0.000 0.869 961 R HN 0.845 nan 8.270 nan 0.000 0.445 962 E N 0.043 120.261 120.200 0.030 0.000 2.462 962 E HA 0.158 4.509 4.350 0.001 0.000 0.255 962 E C -0.876 175.741 176.600 0.029 0.000 1.311 962 E CA -0.058 56.357 56.400 0.024 0.000 1.629 962 E CB 0.700 30.410 29.700 0.016 0.000 1.510 962 E HN 0.258 nan 8.360 nan 0.000 0.438 963 M N 1.208 120.830 119.600 0.036 0.000 1.988 963 M HA 0.160 4.641 4.480 0.001 0.000 0.243 963 M C -0.441 175.880 176.300 0.035 0.000 0.897 963 M CA -0.439 54.886 55.300 0.042 0.000 0.935 963 M CB 1.300 33.935 32.600 0.059 0.000 1.956 963 M HN 0.051 nan 8.290 nan 0.000 0.389 964 D N 0.584 120.999 120.400 0.025 0.000 2.378 964 D HA -0.017 4.623 4.640 0.001 0.000 0.222 964 D C 0.042 176.348 176.300 0.011 0.000 0.980 964 D CA 0.562 54.573 54.000 0.017 0.000 0.907 964 D CB 0.195 41.002 40.800 0.011 0.000 0.899 964 D HN 0.497 nan 8.370 nan 0.000 0.527 965 S N -1.031 114.678 115.700 0.015 0.000 2.611 965 S HA 0.512 4.983 4.470 0.001 0.000 0.268 965 S C -1.143 173.469 174.600 0.019 0.000 1.156 965 S CA -1.075 57.129 58.200 0.006 0.000 0.817 965 S CB 2.536 65.732 63.200 -0.006 0.000 1.122 965 S HN 0.331 nan 8.310 nan 0.000 0.466 966 C N 2.142 121.444 119.300 0.003 0.000 3.213 966 C HA 0.557 5.017 4.460 0.001 0.000 0.424 966 C C -2.761 172.200 174.990 -0.048 0.000 0.995 966 C CA -0.750 58.272 59.018 0.007 0.000 1.109 966 C CB 0.379 28.177 27.740 0.096 0.000 1.526 966 C HN 0.927 nan 8.230 nan 0.000 0.616 967 P HA 0.259 nan 4.420 nan 0.000 0.275 967 P C 0.564 177.813 177.300 -0.086 0.000 1.270 967 P CA 0.364 63.344 63.100 -0.201 0.000 0.791 967 P CB 0.514 31.997 31.700 -0.362 0.000 1.089 968 V N -3.153 116.724 119.914 -0.062 0.000 3.645 968 V HA 0.332 4.453 4.120 0.001 0.000 0.275 968 V C 0.524 176.701 176.094 0.140 0.000 1.356 968 V CA 0.047 62.363 62.300 0.026 0.000 1.051 968 V CB 0.473 32.185 31.823 -0.183 0.000 0.828 968 V HN 0.347 nan 8.190 nan 0.000 0.441 969 V N 0.344 120.304 119.914 0.078 0.000 2.891 969 V HA 0.878 4.998 4.120 0.001 0.000 0.304 969 V C -0.144 175.942 176.094 -0.013 0.000 1.171 969 V CA 0.399 62.805 62.300 0.176 0.000 0.943 969 V CB 1.804 33.737 31.823 0.184 0.000 1.037 969 V HN 0.516 nan 8.190 nan 0.000 0.427 970 G N 2.639 111.404 108.800 -0.059 0.000 2.420 970 G HA2 0.587 4.548 3.960 0.001 0.000 0.331 970 G HA3 0.587 4.548 3.960 0.001 0.000 0.331 970 G C 0.344 174.923 174.900 -0.535 0.000 1.168 970 G CA 0.392 45.162 45.100 -0.551 0.000 0.936 970 G HN 1.227 nan 8.290 nan 0.000 0.479 971 E N 2.105 122.035 120.200 -0.451 0.000 2.106 971 E HA 0.121 4.472 4.350 0.001 0.000 0.192 971 E C 1.150 177.714 176.600 -0.059 0.000 0.984 971 E CA 0.956 57.248 56.400 -0.181 0.000 0.806 971 E CB -0.710 28.932 29.700 -0.098 0.000 0.750 971 E HN 0.676 nan 8.360 nan 0.000 0.458 979 N N 0.918 119.625 118.700 0.013 0.000 3.040 979 N HA 0.665 5.405 4.740 0.001 0.000 0.305 979 N C -1.075 174.442 175.510 0.012 0.000 1.611 979 N CA -0.065 52.992 53.050 0.011 0.000 1.049 979 N CB 0.427 38.920 38.487 0.009 0.000 1.342 979 N HN 0.875 nan 8.380 nan 0.000 0.497 980 L N 0.580 121.811 121.223 0.014 0.000 2.381 980 L HA 0.582 4.923 4.340 0.001 0.000 0.268 980 L C 0.869 177.744 176.870 0.008 0.000 0.997 980 L CA -1.310 53.537 54.840 0.010 0.000 0.818 980 L CB 1.808 43.873 42.059 0.011 0.000 1.310 980 L HN 0.365 nan 8.230 nan 0.000 0.416 981 S N 1.008 116.711 115.700 0.005 0.000 2.593 981 S HA 0.033 4.503 4.470 0.001 0.000 0.300 981 S C 0.035 174.634 174.600 -0.001 0.000 1.267 981 S CA -0.366 57.835 58.200 0.001 0.000 1.065 981 S CB 0.097 63.297 63.200 0.001 0.000 0.807 981 S HN 0.696 nan 8.310 nan 0.000 0.499 982 Q N 2.005 121.808 119.800 0.005 0.000 2.364 982 Q HA 0.419 4.760 4.340 0.001 0.000 0.267 982 Q C -0.067 175.939 176.000 0.009 0.000 0.999 982 Q CA -0.306 55.506 55.803 0.014 0.000 0.886 982 Q CB 0.542 29.292 28.738 0.019 0.000 1.243 982 Q HN 0.958 nan 8.270 nan 0.000 0.415 983 A N 5.416 128.250 122.820 0.023 0.000 2.310 983 A HA 0.573 4.893 4.320 0.001 0.000 0.299 983 A C -2.245 175.357 177.584 0.029 0.000 1.147 983 A CA -1.432 50.616 52.037 0.020 0.000 0.818 983 A CB 0.384 19.406 19.000 0.036 0.000 1.096 983 A HN 0.708 nan 8.150 nan 0.000 0.495 984 P HA 0.352 nan 4.420 nan 0.000 0.275 984 P C -0.219 177.089 177.300 0.013 0.000 1.228 984 P CA -0.049 63.052 63.100 0.001 0.000 0.786 984 P CB 1.013 32.699 31.700 -0.023 0.000 0.927 985 A N 3.382 126.211 122.820 0.015 0.000 2.488 985 A HA 0.317 4.637 4.320 0.001 0.000 0.249 985 A C 0.020 177.611 177.584 0.013 0.000 1.083 985 A CA -0.048 52.004 52.037 0.026 0.000 0.768 985 A CB -0.487 18.526 19.000 0.022 0.000 1.017 985 A HN 0.435 nan 8.150 nan 0.000 0.496 986 L N 4.018 125.264 121.223 0.038 0.000 2.334 986 L HA 0.557 4.897 4.340 0.001 0.000 0.275 986 L C -1.281 175.664 176.870 0.125 0.000 1.036 986 L CA -1.760 53.102 54.840 0.037 0.000 0.807 986 L CB 0.587 42.673 42.059 0.044 0.000 1.231 986 L HN 0.648 nan 8.230 nan 0.000 0.438 987 P HA 0.215 nan 4.420 nan 0.000 0.289 987 P C -1.080 176.390 177.300 0.284 0.000 1.299 987 P CA -0.655 62.552 63.100 0.178 0.000 0.766 987 P CB 0.697 32.486 31.700 0.148 0.000 1.226 988 Q N 0.885 120.769 119.800 0.140 0.000 2.279 988 Q HA 0.340 4.681 4.340 0.001 0.000 0.256 988 Q C -2.061 173.903 176.000 -0.060 0.000 0.937 988 Q CA -1.641 54.183 55.803 0.034 0.000 0.933 988 Q CB 0.253 28.977 28.738 -0.023 0.000 1.189 988 Q HN 0.288 nan 8.270 nan 0.000 0.417 989 P HA 0.187 nan 4.420 nan 0.000 0.282 989 P C -1.185 175.848 177.300 -0.445 0.000 1.259 989 P CA -0.576 62.132 63.100 -0.654 0.000 0.826 989 P CB 1.102 31.836 31.700 -1.611 0.000 1.064 990 E N 1.185 121.129 120.200 -0.427 0.000 2.167 990 E HA 0.273 4.624 4.350 0.001 0.000 0.284 990 E C -0.791 175.696 176.600 -0.187 0.000 1.016 990 E CA -0.747 55.501 56.400 -0.252 0.000 0.817 990 E CB 0.765 30.329 29.700 -0.226 0.000 1.080 990 E HN 0.106 nan 8.360 nan 0.000 0.397 991 V N 6.747 126.571 119.914 -0.151 0.000 2.488 991 V HA 0.117 4.237 4.120 0.001 0.000 0.277 991 V C 0.546 176.621 176.094 -0.032 0.000 1.046 991 V CA -0.194 62.026 62.300 -0.133 0.000 0.986 991 V CB 0.658 32.396 31.823 -0.142 0.000 0.989 991 V HN 0.680 nan 8.190 nan 0.000 0.475 992 I N 5.562 126.123 120.570 -0.016 0.000 2.471 992 I HA 0.138 4.308 4.170 0.001 0.000 0.286 992 I C 1.197 177.357 176.117 0.072 0.000 1.079 992 I CA 0.151 61.470 61.300 0.032 0.000 1.398 992 I CB 0.875 38.819 38.000 -0.093 0.000 1.403 992 I HN 0.709 nan 8.210 nan 0.000 0.530 993 Q N 4.170 124.012 119.800 0.069 0.000 2.350 993 Q HA 0.188 4.529 4.340 0.001 0.000 0.225 993 Q C 0.145 176.197 176.000 0.086 0.000 0.878 993 Q CA 0.286 56.123 55.803 0.057 0.000 0.935 993 Q CB 0.711 29.467 28.738 0.030 0.000 1.099 993 Q HN 0.631 nan 8.270 nan 0.000 0.527 994 N N 0.223 118.973 118.700 0.085 0.000 2.478 994 N HA 0.194 4.935 4.740 0.001 0.000 0.291 994 N C 0.305 175.843 175.510 0.048 0.000 1.090 994 N CA 0.024 53.113 53.050 0.066 0.000 0.911 994 N CB 1.417 39.938 38.487 0.056 0.000 1.546 994 N HN -0.066 nan 8.380 nan 0.000 0.500 995 M N 0.947 120.534 119.600 -0.022 0.000 2.108 995 M HA -0.137 4.343 4.480 0.001 0.000 0.261 995 M C 1.554 177.879 176.300 0.043 0.000 1.066 995 M CA 1.819 57.091 55.300 -0.046 0.000 1.107 995 M CB -0.370 32.130 32.600 -0.166 0.000 1.356 995 M HN 0.504 nan 8.290 nan 0.000 0.406 996 T N 0.123 114.685 114.554 0.013 0.000 2.708 996 T HA -0.149 4.201 4.350 0.001 0.000 0.266 996 T C 1.626 176.331 174.700 0.008 0.000 1.037 996 T CA 1.409 63.509 62.100 -0.001 0.000 1.146 996 T CB -0.289 68.581 68.868 0.004 0.000 0.865 996 T HN 0.455 nan 8.240 nan 0.000 0.435 997 E N 0.182 120.405 120.200 0.038 0.000 2.085 997 E HA -0.135 4.216 4.350 0.001 0.000 0.194 997 E C 1.893 178.521 176.600 0.046 0.000 0.994 997 E CA 1.096 57.520 56.400 0.039 0.000 0.801 997 E CB -0.287 29.449 29.700 0.059 0.000 0.743 997 E HN 0.488 nan 8.360 nan 0.000 0.453 998 F N 2.117 122.027 119.950 -0.068 0.000 2.095 998 F HA -0.214 4.313 4.527 0.001 0.000 0.298 998 F C 1.892 177.608 175.800 -0.139 0.000 1.104 998 F CA 1.614 59.551 58.000 -0.106 0.000 1.232 998 F CB 0.003 38.919 39.000 -0.141 0.000 0.987 998 F HN -0.193 nan 8.300 nan 0.000 0.475 999 K N 0.032 120.251 120.400 -0.302 0.000 2.025 999 K HA -0.119 4.201 4.320 0.001 0.000 0.207 999 K C 2.229 178.646 176.600 -0.305 0.000 1.049 999 K CA 1.496 57.538 56.287 -0.408 0.000 0.933 999 K CB -0.284 32.098 32.500 -0.196 0.000 0.714 999 K HN 0.267 nan 8.250 nan 0.000 0.438 1000 R N 0.146 120.539 120.500 -0.178 0.000 2.105 1000 R HA -0.098 4.243 4.340 0.001 0.000 0.239 1000 R C 2.173 178.391 176.300 -0.136 0.000 1.135 1000 R CA 1.351 57.376 56.100 -0.126 0.000 0.967 1000 R CB -0.425 29.833 30.300 -0.070 0.000 0.861 1000 R HN 0.256 nan 8.270 nan 0.000 0.442 1001 G N 0.257 108.966 108.800 -0.152 0.000 3.061 1001 G HA2 0.127 4.087 3.960 0.001 0.000 0.208 1001 G HA3 0.127 4.087 3.960 0.001 0.000 0.208 1001 G C -0.133 174.664 174.900 -0.172 0.000 1.175 1001 G CA 0.003 45.031 45.100 -0.120 0.000 0.812 1001 G HN -0.077 nan 8.290 nan 0.000 0.523 1002 L N 0.324 121.392 121.223 -0.258 0.000 2.371 1002 L HA 0.585 4.925 4.340 0.001 0.000 0.262 1002 L C -2.170 174.565 176.870 -0.225 0.000 1.006 1002 L CA -2.429 52.242 54.840 -0.282 0.000 0.818 1002 L CB 2.712 44.472 42.059 -0.498 0.000 1.354 1002 L HN -0.148 nan 8.230 nan 0.000 0.415 1003 P HA 0.384 nan 4.420 nan 0.000 0.278 1003 P C -1.327 175.851 177.300 -0.203 0.000 1.258 1003 P CA -0.477 62.513 63.100 -0.183 0.000 0.811 1003 P CB 1.121 32.709 31.700 -0.186 0.000 1.063 1004 L N 1.076 122.211 121.223 -0.146 0.000 2.329 1004 L HA 0.426 4.767 4.340 0.001 0.000 0.279 1004 L C 0.748 177.581 176.870 -0.062 0.000 1.014 1004 L CA -1.038 53.752 54.840 -0.082 0.000 0.814 1004 L CB 0.776 42.822 42.059 -0.021 0.000 1.257 1004 L HN 0.277 nan 8.230 nan 0.000 0.424 1005 F N 3.190 123.122 119.950 -0.030 0.000 2.535 1005 F HA 0.158 4.685 4.527 0.001 0.000 0.332 1005 F C -1.439 174.358 175.800 -0.006 0.000 1.208 1005 F CA -0.575 57.414 58.000 -0.017 0.000 1.330 1005 F CB 0.411 39.409 39.000 -0.004 0.000 1.167 1005 F HN 0.309 nan 8.300 nan 0.000 0.597 1006 P HA 0.166 nan 4.420 nan 0.000 0.282 1006 P C -1.224 176.143 177.300 0.112 0.000 1.287 1006 P CA -0.417 62.762 63.100 0.131 0.000 0.792 1006 P CB 0.913 32.674 31.700 0.101 0.000 1.163 1007 L N 0.418 121.677 121.223 0.059 0.000 2.334 1007 L HA 0.274 4.614 4.340 0.001 0.000 0.277 1007 L C 0.783 177.660 176.870 0.012 0.000 1.075 1007 L CA -0.703 54.155 54.840 0.029 0.000 0.804 1007 L CB 0.773 42.836 42.059 0.007 0.000 1.174 1007 L HN 0.121 nan 8.230 nan 0.000 0.438 1008 V N 4.800 124.708 119.914 -0.009 0.000 2.763 1008 V HA 0.086 4.207 4.120 0.001 0.000 0.306 1008 V C 0.393 176.480 176.094 -0.012 0.000 1.059 1008 V CA -0.285 62.003 62.300 -0.020 0.000 1.138 1008 V CB 0.604 32.398 31.823 -0.048 0.000 0.940 1008 V HN 0.645 nan 8.190 nan 0.000 0.489 1009 K N 6.176 126.573 120.400 -0.004 0.000 2.118 1009 K HA 0.528 4.849 4.320 0.001 0.000 0.267 1009 K C -2.298 174.317 176.600 0.025 0.000 0.991 1009 K CA -2.117 54.175 56.287 0.007 0.000 0.916 1009 K CB 0.895 33.395 32.500 0.001 0.000 1.041 1009 K HN 0.501 nan 8.250 nan 0.000 0.455 1010 P HA 0.077 nan 4.420 nan 0.000 0.269 1010 P C -0.734 176.625 177.300 0.099 0.000 1.215 1010 P CA -0.109 63.069 63.100 0.130 0.000 0.780 1010 P CB 0.329 32.136 31.700 0.179 0.000 0.898 1011 H N 0.620 119.694 119.070 0.006 0.000 2.668 1011 H HA 0.492 5.048 4.556 0.001 0.000 0.303 1011 H C 0.296 175.621 175.328 -0.005 0.000 1.074 1011 H CA 0.168 56.198 56.048 -0.030 0.000 1.406 1011 H CB -0.310 29.405 29.762 -0.079 0.000 1.442 1011 H HN 0.277 nan 8.280 nan 0.000 0.482 1012 I N 1.745 122.308 120.570 -0.011 0.000 2.499 1012 I HA 0.620 4.790 4.170 0.001 0.000 0.296 1012 I C 0.541 176.691 176.117 0.055 0.000 0.992 1012 I CA 0.054 61.360 61.300 0.010 0.000 1.297 1012 I CB 0.173 38.157 38.000 -0.026 0.000 1.410 1012 I HN 0.978 nan 8.210 nan 0.000 0.507 1013 N N 1.793 120.543 118.700 0.084 0.000 2.405 1013 N HA 0.952 5.693 4.740 0.001 0.000 0.285 1013 N C 0.061 175.628 175.510 0.095 0.000 1.262 1013 N CA -0.292 52.852 53.050 0.157 0.000 0.773 1013 N CB 0.837 39.530 38.487 0.343 0.000 1.490 1013 N HN 2.190 nan 8.380 nan 0.000 0.486 1014 F N 0.000 120.009 119.950 0.099 0.000 2.286 1014 F HA 0.000 4.527 4.527 0.001 0.000 0.279 1014 F CA 0.000 58.021 58.000 0.035 0.000 1.383 1014 F CB 0.000 39.028 39.000 0.047 0.000 1.145 1014 F HN 0.000 nan 8.300 nan 0.000 0.574