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 3nwa_1_D DATA FIRST_RESID 103 DATA SEQUENCE DIKAENTDAN FYVcPPPTGA TVVQFEQPRR cPTRPEGQNY TEGIAVVFKE DATA SEQUENCE NIAPYKFKAT MYYKDVTVSQ VRFGHRYSQF MGIFEDRAPV PFEEVIDKIN DATA SEQUENCE AKGVcRSTAK YVRNNLETTA FHRDDHETDM ELKPANAATR TSRGWHTTDL DATA SEQUENCE KYNPSRVEAF HRYGTTVNcI VEEVDARSVY PYDEFVLATG DFVYMSPFYG DATA SEQUENCE YREGSHTEHT SYAADRFKQV DGFYARDLTT KARATAPTTR NLLTTPKFTV DATA SEQUENCE AWDWVPKRPS VcTMTKWQEV DEMLRSEYGG SFRFSSDAIS TTFTTNLTEY DATA SEQUENCE PLSRVDLGDc IGKDARDAMD RIFARRYNAT HIKVGQPQYY LANGGFLIAY DATA SEQUENCE QPLLSNTLAE LYVREHLREQ SRKPPXXXXX XXXXXXXXXX ERIKTTSSIE DATA SEQUENCE FARLQFTYNH IQRHVNDMLG RVAIAWcELQ NHELTLWNEA RKLNPNAIAS DATA SEQUENCE VTVGRRVSAR MLGDVMAVST cVPVAADNVI VQNSMRISSR PGAcYSRPLV DATA SEQUENCE SFRYEDQGPL VEGQLGENNE LRLTRDAIEP cTVGHRRYFT FGGGYVYFEE DATA SEQUENCE YAYSHQLSRA DITTVSTFID LNITMLEDHE FVPLEVYTRH EIKDSGLLDY DATA SEQUENCE TEVQRRNQLH DLRFADIDTV IH 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 103 D HA 0.000 nan 4.640 nan 0.000 0.175 103 D C 0.000 176.278 176.300 -0.036 0.000 2.045 103 D CA 0.000 53.978 54.000 -0.036 0.000 0.868 103 D CB 0.000 40.769 40.800 -0.052 0.000 0.688 104 I N 2.679 123.195 120.570 -0.091 0.000 2.849 104 I HA 0.068 4.238 4.170 -0.000 0.000 0.288 104 I C 0.143 176.275 176.117 0.025 0.000 1.156 104 I CA 0.748 61.984 61.300 -0.105 0.000 1.394 104 I CB -0.163 37.609 38.000 -0.379 0.000 1.462 104 I HN 0.062 nan 8.210 nan 0.000 0.587 105 K N 4.696 125.152 120.400 0.094 0.000 2.185 105 K HA 0.675 4.995 4.320 -0.000 0.000 0.240 105 K C -0.046 176.701 176.600 0.245 0.000 0.983 105 K CA -0.934 55.445 56.287 0.153 0.000 0.873 105 K CB 1.754 34.297 32.500 0.072 0.000 1.118 105 K HN 0.584 nan 8.250 nan 0.000 0.441 106 A N 1.961 124.894 122.820 0.189 0.000 2.522 106 A HA -0.011 4.309 4.320 -0.000 0.000 0.256 106 A C 0.755 178.402 177.584 0.104 0.000 1.086 106 A CA 0.236 52.325 52.037 0.086 0.000 0.763 106 A CB -0.116 18.683 19.000 -0.335 0.000 1.024 106 A HN 0.834 nan 8.150 nan 0.000 0.502 107 E N 2.573 122.879 120.200 0.176 0.000 2.016 107 E HA -0.109 4.241 4.350 -0.000 0.000 0.190 107 E C 0.138 176.785 176.600 0.079 0.000 0.985 107 E CA 0.659 57.140 56.400 0.134 0.000 0.802 107 E CB -0.138 29.665 29.700 0.172 0.000 0.762 107 E HN 0.769 nan 8.360 nan 0.000 0.448 108 N N 2.090 120.833 118.700 0.071 0.000 2.670 108 N HA -0.052 4.688 4.740 -0.000 0.000 0.296 108 N C 0.437 175.936 175.510 -0.018 0.000 1.216 108 N CA 0.189 53.254 53.050 0.024 0.000 1.123 108 N CB 0.519 39.016 38.487 0.017 0.000 1.459 108 N HN 0.069 nan 8.380 nan 0.000 0.509 109 T N -0.140 114.411 114.554 -0.004 0.000 3.163 109 T HA -0.055 4.295 4.350 -0.000 0.000 0.260 109 T C 0.450 175.133 174.700 -0.029 0.000 1.156 109 T CA 0.465 62.558 62.100 -0.011 0.000 1.072 109 T CB -0.027 68.846 68.868 0.008 0.000 0.937 109 T HN 0.289 nan 8.240 nan 0.000 0.528 110 D N 1.768 122.144 120.400 -0.040 0.000 2.504 110 D HA 0.389 5.029 4.640 -0.000 0.000 0.243 110 D C 0.364 176.619 176.300 -0.074 0.000 1.203 110 D CA 0.044 54.018 54.000 -0.043 0.000 0.847 110 D CB 0.109 40.892 40.800 -0.029 0.000 0.973 110 D HN 0.532 nan 8.370 nan 0.000 0.490 111 A N 0.277 123.029 122.820 -0.115 0.000 2.486 111 A HA 0.634 4.954 4.320 -0.000 0.000 0.289 111 A C -0.609 176.844 177.584 -0.219 0.000 1.176 111 A CA -0.797 51.127 52.037 -0.188 0.000 0.757 111 A CB 1.445 20.265 19.000 -0.301 0.000 1.337 111 A HN -0.045 nan 8.150 nan 0.000 0.423 112 N N -0.634 117.898 118.700 -0.279 0.000 2.361 112 N HA 0.734 5.474 4.740 -0.000 0.000 0.302 112 N C -1.514 173.679 175.510 -0.529 0.000 1.074 112 N CA -0.129 52.733 53.050 -0.314 0.000 0.850 112 N CB 0.983 39.314 38.487 -0.259 0.000 1.228 112 N HN 0.443 nan 8.380 nan 0.000 0.491 113 F N 0.880 120.599 119.950 -0.384 0.000 2.483 113 F HA 0.491 5.018 4.527 -0.000 0.000 0.329 113 F C -0.399 175.046 175.800 -0.593 0.000 1.064 113 F CA -0.451 57.349 58.000 -0.334 0.000 0.986 113 F CB 1.063 39.891 39.000 -0.288 0.000 1.218 113 F HN 0.310 nan 8.300 nan 0.000 0.484 114 Y N 0.493 120.818 120.300 0.042 0.000 2.346 114 Y HA 0.492 5.042 4.550 -0.000 0.000 0.332 114 Y C -0.759 175.100 175.900 -0.068 0.000 0.985 114 Y CA -1.133 56.956 58.100 -0.018 0.000 1.112 114 Y CB 1.843 40.298 38.460 -0.009 0.000 1.170 114 Y HN 0.148 nan 8.280 nan 0.000 0.447 115 V N 3.456 123.385 119.914 0.026 0.000 2.339 115 V HA 0.101 4.221 4.120 -0.000 0.000 0.261 115 V C -0.322 175.847 176.094 0.125 0.000 1.058 115 V CA -0.474 61.831 62.300 0.008 0.000 0.897 115 V CB -0.065 31.757 31.823 -0.001 0.000 1.052 115 V HN 0.878 nan 8.190 nan 0.000 0.480 116 c N 8.508 127.172 118.600 0.105 0.000 2.170 116 c HA 0.371 4.941 4.570 -0.000 0.000 0.339 116 c C -1.298 172.842 174.090 0.083 0.000 1.056 116 c CA -1.358 55.029 56.329 0.097 0.000 1.535 116 c CB -0.401 42.152 42.510 0.073 0.000 1.785 116 c HN 0.660 nan 8.230 nan 0.000 0.440 117 P HA 0.176 nan 4.420 nan 0.000 0.271 117 P C -2.751 174.587 177.300 0.062 0.000 1.238 117 P CA -0.873 62.279 63.100 0.085 0.000 0.794 117 P CB -0.272 31.480 31.700 0.087 0.000 0.959 118 P HA 0.293 nan 4.420 nan 0.000 0.276 118 P C -2.422 174.899 177.300 0.035 0.000 1.230 118 P CA -1.748 61.378 63.100 0.042 0.000 0.776 118 P CB -1.142 30.581 31.700 0.039 0.000 0.888 119 P HA -0.019 nan 4.420 nan 0.000 0.263 119 P C 1.163 178.475 177.300 0.019 0.000 1.195 119 P CA 0.329 63.443 63.100 0.023 0.000 0.762 119 P CB -0.037 31.673 31.700 0.017 0.000 0.799 120 T N 0.473 115.038 114.554 0.018 0.000 2.803 120 T HA -0.095 4.255 4.350 -0.000 0.000 0.269 120 T C 1.588 176.294 174.700 0.010 0.000 1.052 120 T CA 1.197 63.306 62.100 0.015 0.000 1.136 120 T CB -1.019 67.858 68.868 0.014 0.000 0.864 120 T HN 0.654 nan 8.240 nan 0.000 0.467 121 G N 0.639 109.443 108.800 0.007 0.000 2.195 121 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.246 121 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.246 121 G C 1.157 176.058 174.900 0.001 0.000 0.984 121 G CA 0.525 45.627 45.100 0.003 0.000 0.633 121 G HN 1.029 nan 8.290 nan 0.000 0.525 122 A N -0.306 122.516 122.820 0.004 0.000 1.855 122 A HA 0.343 4.663 4.320 -0.000 0.000 0.215 122 A C 1.509 179.093 177.584 0.001 0.000 1.191 122 A CA 2.376 54.414 52.037 0.003 0.000 0.613 122 A CB -0.417 18.586 19.000 0.005 0.000 0.829 122 A HN 0.944 nan 8.150 nan 0.000 0.442 123 T N 0.786 115.342 114.554 0.002 0.000 2.733 123 T HA 0.505 4.855 4.350 -0.000 0.000 0.294 123 T C -0.394 174.304 174.700 -0.003 0.000 0.956 123 T CA 0.125 62.226 62.100 0.001 0.000 0.987 123 T CB 0.926 69.797 68.868 0.005 0.000 0.920 123 T HN 0.708 nan 8.240 nan 0.000 0.470 124 V N 1.771 121.680 119.914 -0.007 0.000 2.823 124 V HA 0.976 5.096 4.120 -0.000 0.000 0.312 124 V C -0.238 175.845 176.094 -0.017 0.000 1.072 124 V CA -1.073 61.217 62.300 -0.017 0.000 0.937 124 V CB 1.609 33.419 31.823 -0.023 0.000 1.013 124 V HN 0.743 nan 8.190 nan 0.000 0.430 125 V N 1.879 121.775 119.914 -0.029 0.000 3.102 125 V HA 0.829 4.949 4.120 -0.000 0.000 0.312 125 V C -0.773 175.286 176.094 -0.059 0.000 1.135 125 V CA -0.589 61.699 62.300 -0.020 0.000 1.022 125 V CB 1.886 33.716 31.823 0.012 0.000 1.056 125 V HN 1.342 nan 8.190 nan 0.000 0.436 126 Q N 1.901 121.685 119.800 -0.027 0.000 2.365 126 Q HA 0.568 4.908 4.340 -0.000 0.000 0.269 126 Q C -1.207 174.841 176.000 0.080 0.000 1.061 126 Q CA -0.758 55.011 55.803 -0.056 0.000 0.816 126 Q CB 2.416 31.139 28.738 -0.024 0.000 1.325 126 Q HN 0.743 nan 8.270 nan 0.000 0.446 127 F N 1.161 121.099 119.950 -0.020 0.000 2.518 127 F HA 0.035 4.562 4.527 -0.000 0.000 0.359 127 F C 1.241 177.023 175.800 -0.031 0.000 1.118 127 F CA -0.515 57.462 58.000 -0.038 0.000 1.287 127 F CB 0.675 39.655 39.000 -0.033 0.000 1.132 127 F HN 0.615 nan 8.300 nan 0.000 0.587 128 E N 3.036 123.326 120.200 0.150 0.000 2.452 128 E HA -0.065 4.285 4.350 -0.000 0.000 0.261 128 E C -0.292 176.350 176.600 0.069 0.000 0.987 128 E CA -0.497 55.944 56.400 0.068 0.000 0.926 128 E CB 0.659 30.366 29.700 0.012 0.000 0.934 128 E HN 0.457 nan 8.360 nan 0.000 0.452 129 Q N 2.973 122.807 119.800 0.058 0.000 2.249 129 Q HA 0.354 4.694 4.340 -0.000 0.000 0.226 129 Q C -2.130 173.893 176.000 0.039 0.000 0.983 129 Q CA -1.992 53.844 55.803 0.055 0.000 0.930 129 Q CB -0.123 28.644 28.738 0.048 0.000 1.193 129 Q HN 0.443 nan 8.270 nan 0.000 0.508 130 P HA 0.027 nan 4.420 nan 0.000 0.264 130 P C -0.426 176.894 177.300 0.034 0.000 1.183 130 P CA 0.429 63.553 63.100 0.040 0.000 0.763 130 P CB 0.509 32.240 31.700 0.051 0.000 0.807 131 R N 1.881 122.400 120.500 0.031 0.000 2.543 131 R HA 0.404 4.744 4.340 -0.000 0.000 0.268 131 R C 0.438 176.757 176.300 0.032 0.000 1.067 131 R CA -0.838 55.280 56.100 0.030 0.000 1.142 131 R CB 0.433 30.752 30.300 0.031 0.000 1.110 131 R HN 0.338 nan 8.270 nan 0.000 0.549 132 R N 0.502 121.019 120.500 0.028 0.000 2.442 132 R HA 0.076 4.416 4.340 -0.000 0.000 0.291 132 R C -1.035 175.282 176.300 0.029 0.000 1.069 132 R CA 0.233 56.348 56.100 0.026 0.000 1.022 132 R CB 0.364 30.677 30.300 0.021 0.000 0.976 132 R HN 0.535 nan 8.270 nan 0.000 0.443 133 c N 7.016 125.633 118.600 0.028 0.000 2.341 133 c HA 0.504 5.074 4.570 -0.000 0.000 0.338 133 c C -1.779 172.324 174.090 0.022 0.000 1.257 133 c CA -1.403 54.943 56.329 0.029 0.000 1.883 133 c CB 0.850 43.376 42.510 0.027 0.000 2.334 133 c HN 0.789 nan 8.230 nan 0.000 0.524 134 P HA 0.209 nan 4.420 nan 0.000 0.270 134 P C -0.255 177.051 177.300 0.009 0.000 1.221 134 P CA 0.167 63.275 63.100 0.014 0.000 0.788 134 P CB 0.269 31.976 31.700 0.013 0.000 0.904 135 T N -1.647 112.910 114.554 0.004 0.000 2.918 135 T HA 0.443 4.793 4.350 -0.000 0.000 0.286 135 T C 0.124 174.822 174.700 -0.004 0.000 1.026 135 T CA -1.191 60.910 62.100 0.001 0.000 1.031 135 T CB 1.079 69.948 68.868 0.002 0.000 1.046 135 T HN 0.150 nan 8.240 nan 0.000 0.479 136 R N 2.122 122.618 120.500 -0.007 0.000 2.538 136 R HA 0.176 4.516 4.340 -0.000 0.000 0.282 136 R C -2.214 174.078 176.300 -0.014 0.000 1.009 136 R CA -0.926 55.166 56.100 -0.013 0.000 1.063 136 R CB -0.290 30.002 30.300 -0.014 0.000 0.945 136 R HN 0.546 nan 8.270 nan 0.000 0.414 137 P HA -0.043 nan 4.420 nan 0.000 0.266 137 P C -0.408 176.879 177.300 -0.020 0.000 1.195 137 P CA 0.062 63.150 63.100 -0.020 0.000 0.768 137 P CB 0.421 32.106 31.700 -0.026 0.000 0.838 138 E N 1.328 121.518 120.200 -0.018 0.000 2.493 138 E HA 0.124 4.474 4.350 -0.000 0.000 0.255 138 E C 0.663 177.245 176.600 -0.031 0.000 0.999 138 E CA -0.122 56.267 56.400 -0.019 0.000 0.934 138 E CB 0.198 29.889 29.700 -0.015 0.000 0.940 138 E HN 0.555 nan 8.360 nan 0.000 0.473 139 G N 3.233 112.013 108.800 -0.033 0.000 2.483 139 G HA2 0.051 4.011 3.960 -0.000 0.000 0.248 139 G HA3 0.051 4.011 3.960 -0.000 0.000 0.248 139 G C -0.385 174.466 174.900 -0.081 0.000 1.248 139 G CA -0.396 44.673 45.100 -0.052 0.000 0.838 139 G HN 0.445 nan 8.290 nan 0.000 0.566 140 Q N 1.025 120.740 119.800 -0.142 0.000 2.278 140 Q HA 0.163 4.503 4.340 -0.000 0.000 0.257 140 Q C 0.031 175.842 176.000 -0.316 0.000 0.928 140 Q CA -0.603 55.073 55.803 -0.211 0.000 0.932 140 Q CB 0.518 29.101 28.738 -0.258 0.000 1.221 140 Q HN 0.566 nan 8.270 nan 0.000 0.434 141 N N 3.997 122.570 118.700 -0.211 0.000 2.497 141 N HA 0.091 4.831 4.740 -0.000 0.000 0.271 141 N C -0.877 174.496 175.510 -0.227 0.000 1.142 141 N CA 0.149 53.107 53.050 -0.154 0.000 0.965 141 N CB 0.497 38.959 38.487 -0.042 0.000 1.077 141 N HN 0.547 nan 8.380 nan 0.000 0.462 142 Y N 0.292 120.595 120.300 0.005 0.000 2.323 142 Y HA 0.162 4.712 4.550 -0.000 0.000 0.331 142 Y C 1.010 176.918 175.900 0.013 0.000 1.092 142 Y CA -0.439 57.658 58.100 -0.005 0.000 1.150 142 Y CB 1.404 39.867 38.460 0.005 0.000 1.200 142 Y HN 0.274 nan 8.280 nan 0.000 0.472 143 T N 3.954 118.605 114.554 0.162 0.000 2.799 143 T HA 0.190 4.540 4.350 -0.000 0.000 0.286 143 T C -0.213 174.595 174.700 0.179 0.000 0.973 143 T CA -0.794 61.388 62.100 0.137 0.000 1.035 143 T CB 0.377 69.302 68.868 0.094 0.000 0.932 143 T HN 0.549 nan 8.240 nan 0.000 0.469 144 E N 1.008 121.290 120.200 0.137 0.000 2.345 144 E HA 0.606 4.956 4.350 -0.000 0.000 0.259 144 E C 0.420 177.022 176.600 0.003 0.000 1.117 144 E CA -0.481 55.972 56.400 0.089 0.000 0.913 144 E CB 1.070 30.792 29.700 0.036 0.000 1.057 144 E HN 0.810 nan 8.360 nan 0.000 0.432 145 G N 0.332 109.074 108.800 -0.097 0.000 2.349 145 G HA2 0.366 4.326 3.960 -0.000 0.000 0.294 145 G HA3 0.366 4.326 3.960 -0.000 0.000 0.294 145 G C -1.512 173.213 174.900 -0.292 0.000 1.380 145 G CA -0.931 43.898 45.100 -0.452 0.000 0.811 145 G HN 0.369 nan 8.290 nan 0.000 0.519 146 I N 0.616 120.951 120.570 -0.391 0.000 2.460 146 I HA 0.704 4.874 4.170 -0.000 0.000 0.298 146 I C 0.540 176.638 176.117 -0.031 0.000 0.989 146 I CA -0.777 60.461 61.300 -0.104 0.000 1.173 146 I CB 1.971 39.942 38.000 -0.049 0.000 1.338 146 I HN 0.799 nan 8.210 nan 0.000 0.456 147 A N 5.105 127.992 122.820 0.113 0.000 2.430 147 A HA 0.919 5.239 4.320 -0.000 0.000 0.300 147 A C -1.234 176.377 177.584 0.045 0.000 1.124 147 A CA -0.583 51.547 52.037 0.154 0.000 0.766 147 A CB 1.968 21.095 19.000 0.211 0.000 1.328 147 A HN 0.411 nan 8.150 nan 0.000 0.424 148 V N 1.293 121.230 119.914 0.039 0.000 2.524 148 V HA 0.393 4.513 4.120 -0.000 0.000 0.297 148 V C -0.736 175.279 176.094 -0.131 0.000 1.035 148 V CA -0.495 61.758 62.300 -0.079 0.000 0.867 148 V CB 1.497 33.304 31.823 -0.027 0.000 1.004 148 V HN 0.701 nan 8.190 nan 0.000 0.426 149 V N 5.374 125.152 119.914 -0.227 0.000 2.439 149 V HA 0.561 4.681 4.120 -0.000 0.000 0.282 149 V C -0.495 175.551 176.094 -0.080 0.000 1.039 149 V CA -0.386 61.871 62.300 -0.072 0.000 0.913 149 V CB 1.249 33.043 31.823 -0.047 0.000 0.983 149 V HN 0.627 nan 8.190 nan 0.000 0.460 150 F N 3.612 123.689 119.950 0.211 0.000 2.492 150 F HA 0.677 5.204 4.527 -0.000 0.000 0.327 150 F C 0.363 176.259 175.800 0.159 0.000 1.079 150 F CA -0.796 57.319 58.000 0.191 0.000 0.967 150 F CB 1.812 40.875 39.000 0.106 0.000 1.169 150 F HN 0.458 nan 8.300 nan 0.000 0.472 151 K N 0.717 121.265 120.400 0.246 0.000 2.328 151 K HA 0.423 4.743 4.320 -0.000 0.000 0.246 151 K C -0.678 175.911 176.600 -0.018 0.000 0.955 151 K CA -0.994 55.287 56.287 -0.009 0.000 0.817 151 K CB 2.139 34.547 32.500 -0.153 0.000 1.208 151 K HN 0.679 nan 8.250 nan 0.000 0.432 152 E N 1.773 121.900 120.200 -0.122 0.000 2.708 152 E HA -0.190 4.160 4.350 -0.000 0.000 0.260 152 E C -0.627 175.944 176.600 -0.048 0.000 0.937 152 E CA 0.074 56.415 56.400 -0.098 0.000 0.953 152 E CB 0.413 30.024 29.700 -0.147 0.000 0.915 152 E HN 0.500 nan 8.360 nan 0.000 0.487 153 N N 4.147 122.841 118.700 -0.010 0.000 2.458 153 N HA 0.065 4.805 4.740 -0.000 0.000 0.270 153 N C 0.289 175.811 175.510 0.019 0.000 1.102 153 N CA -0.071 53.000 53.050 0.035 0.000 0.967 153 N CB 0.554 39.090 38.487 0.083 0.000 1.078 153 N HN 0.596 nan 8.380 nan 0.000 0.471 154 I N 0.107 120.694 120.570 0.028 0.000 4.147 154 I HA 0.522 4.692 4.170 -0.000 0.000 0.329 154 I C 0.128 176.278 176.117 0.054 0.000 1.424 154 I CA -0.623 60.691 61.300 0.023 0.000 1.127 154 I CB 0.508 38.504 38.000 -0.006 0.000 1.128 154 I HN 0.275 nan 8.210 nan 0.000 0.417 155 A N 2.538 125.408 122.820 0.083 0.000 2.301 155 A HA 0.769 5.089 4.320 -0.000 0.000 0.298 155 A C -2.393 175.283 177.584 0.154 0.000 1.185 155 A CA -1.226 50.867 52.037 0.094 0.000 0.830 155 A CB -0.206 18.846 19.000 0.087 0.000 1.112 155 A HN 0.129 nan 8.150 nan 0.000 0.508 156 P HA 0.125 nan 4.420 nan 0.000 0.272 156 P C -0.727 176.751 177.300 0.296 0.000 1.240 156 P CA -0.044 63.197 63.100 0.236 0.000 0.791 156 P CB 0.209 31.996 31.700 0.146 0.000 0.978 157 Y N 1.373 121.854 120.300 0.302 0.000 2.377 157 Y HA 0.215 4.765 4.550 -0.000 0.000 0.330 157 Y C -0.004 176.005 175.900 0.180 0.000 1.108 157 Y CA 0.225 58.449 58.100 0.206 0.000 1.308 157 Y CB 0.460 39.008 38.460 0.146 0.000 1.216 157 Y HN 0.151 nan 8.280 nan 0.000 0.518 158 K N 8.317 128.458 120.400 -0.432 0.000 2.323 158 K HA 0.448 4.768 4.320 -0.000 0.000 0.259 158 K C -1.520 174.792 176.600 -0.481 0.000 0.947 158 K CA -0.616 55.449 56.287 -0.370 0.000 0.819 158 K CB 1.536 33.915 32.500 -0.202 0.000 1.109 158 K HN 0.651 nan 8.250 nan 0.000 0.429 159 F N -1.355 118.235 119.950 -0.599 0.000 2.664 159 F HA 0.748 5.275 4.527 -0.000 0.000 0.317 159 F C -0.441 175.193 175.800 -0.277 0.000 1.108 159 F CA -1.362 56.375 58.000 -0.438 0.000 0.957 159 F CB 0.771 39.506 39.000 -0.443 0.000 1.365 159 F HN 0.274 nan 8.300 nan 0.000 0.475 160 K N 0.641 120.973 120.400 -0.115 0.000 2.098 160 K HA 0.943 5.263 4.320 -0.000 0.000 0.258 160 K C -0.917 175.642 176.600 -0.068 0.000 0.973 160 K CA -0.356 55.845 56.287 -0.142 0.000 0.898 160 K CB 1.043 33.535 32.500 -0.014 0.000 1.057 160 K HN 1.706 nan 8.250 nan 0.000 0.447 161 A N 0.532 123.292 122.820 -0.099 0.000 2.612 161 A HA 0.793 5.113 4.320 -0.000 0.000 0.293 161 A C -0.605 176.999 177.584 0.033 0.000 1.075 161 A CA -0.433 51.624 52.037 0.034 0.000 0.680 161 A CB 1.309 20.254 19.000 -0.092 0.000 1.279 161 A HN 0.733 nan 8.150 nan 0.000 0.411 162 T N 1.800 116.417 114.554 0.106 0.000 2.829 162 T HA 0.612 4.962 4.350 -0.000 0.000 0.280 162 T C -0.240 174.388 174.700 -0.121 0.000 0.999 162 T CA -0.194 61.879 62.100 -0.046 0.000 0.983 162 T CB 1.009 69.832 68.868 -0.076 0.000 0.968 162 T HN 0.550 nan 8.240 nan 0.000 0.446 163 M N 3.049 122.513 119.600 -0.226 0.000 2.300 163 M HA 0.465 4.945 4.480 -0.000 0.000 0.348 163 M C -1.451 174.697 176.300 -0.254 0.000 1.151 163 M CA -0.662 54.594 55.300 -0.074 0.000 1.046 163 M CB 1.213 33.814 32.600 0.002 0.000 1.647 163 M HN 0.606 nan 8.290 nan 0.000 0.451 164 Y N 3.351 123.826 120.300 0.292 0.000 2.332 164 Y HA 0.551 5.101 4.550 -0.000 0.000 0.326 164 Y C -0.747 175.332 175.900 0.298 0.000 0.978 164 Y CA -0.964 57.255 58.100 0.198 0.000 1.205 164 Y CB 0.771 39.313 38.460 0.137 0.000 1.131 164 Y HN 0.607 nan 8.280 nan 0.000 0.462 165 Y N -0.905 119.505 120.300 0.183 0.000 2.670 165 Y HA 0.801 5.351 4.550 -0.000 0.000 0.334 165 Y C -1.812 174.119 175.900 0.052 0.000 1.185 165 Y CA -1.991 56.178 58.100 0.114 0.000 1.053 165 Y CB 1.600 40.133 38.460 0.121 0.000 1.298 165 Y HN 0.278 nan 8.280 nan 0.000 0.459 166 K N 1.419 121.891 120.400 0.120 0.000 2.376 166 K HA 0.291 4.611 4.320 -0.000 0.000 0.257 166 K C -1.828 174.829 176.600 0.094 0.000 0.939 166 K CA -0.926 55.367 56.287 0.010 0.000 0.809 166 K CB 1.576 34.063 32.500 -0.021 0.000 1.121 166 K HN 0.529 nan 8.250 nan 0.000 0.425 167 D N 2.436 122.881 120.400 0.075 0.000 2.358 167 D HA 0.082 4.722 4.640 -0.000 0.000 0.258 167 D C -0.513 175.823 176.300 0.061 0.000 1.223 167 D CA 0.057 54.112 54.000 0.092 0.000 0.886 167 D CB 1.030 41.875 40.800 0.076 0.000 1.120 167 D HN 0.047 nan 8.370 nan 0.000 0.482 168 V N 3.117 123.062 119.914 0.052 0.000 2.435 168 V HA 0.428 4.548 4.120 -0.000 0.000 0.290 168 V C 0.371 176.518 176.094 0.088 0.000 1.030 168 V CA -0.424 61.935 62.300 0.099 0.000 0.881 168 V CB 1.963 33.874 31.823 0.146 0.000 0.983 168 V HN 0.478 nan 8.190 nan 0.000 0.445 169 T N 3.947 118.598 114.554 0.162 0.000 2.879 169 T HA 0.553 4.903 4.350 -0.000 0.000 0.290 169 T C -0.649 174.219 174.700 0.280 0.000 0.993 169 T CA -0.457 61.743 62.100 0.167 0.000 0.975 169 T CB 1.689 70.632 68.868 0.126 0.000 0.981 169 T HN 0.306 nan 8.240 nan 0.000 0.439 170 V N 3.688 123.820 119.914 0.363 0.000 2.350 170 V HA 0.551 4.671 4.120 -0.000 0.000 0.285 170 V C 0.290 176.592 176.094 0.346 0.000 1.014 170 V CA -0.851 61.684 62.300 0.391 0.000 0.831 170 V CB 1.353 33.436 31.823 0.433 0.000 1.000 170 V HN 1.052 nan 8.190 nan 0.000 0.433 171 S N 4.015 119.885 115.700 0.284 0.000 2.541 171 S HA 0.636 5.106 4.470 -0.000 0.000 0.283 171 S C -0.560 174.114 174.600 0.122 0.000 1.196 171 S CA -0.688 57.658 58.200 0.244 0.000 1.062 171 S CB 1.769 65.171 63.200 0.337 0.000 1.009 171 S HN 0.758 nan 8.310 nan 0.000 0.502 172 Q N 2.325 122.137 119.800 0.019 0.000 2.325 172 Q HA 0.581 4.921 4.340 -0.000 0.000 0.262 172 Q C -1.607 174.247 176.000 -0.243 0.000 0.968 172 Q CA -0.729 54.853 55.803 -0.370 0.000 0.877 172 Q CB 1.206 29.718 28.738 -0.377 0.000 1.253 172 Q HN 0.690 nan 8.270 nan 0.000 0.448 173 V N 4.199 123.892 119.914 -0.369 0.000 2.581 173 V HA 0.600 4.720 4.120 -0.000 0.000 0.303 173 V C -0.402 175.428 176.094 -0.440 0.000 1.041 173 V CA -0.866 61.153 62.300 -0.470 0.000 0.907 173 V CB 1.763 33.219 31.823 -0.611 0.000 0.994 173 V HN 0.796 nan 8.190 nan 0.000 0.442 174 R N 2.683 122.877 120.500 -0.511 0.000 2.599 174 R HA 0.625 4.965 4.340 -0.000 0.000 0.295 174 R C -1.986 173.971 176.300 -0.572 0.000 0.963 174 R CA -0.528 55.362 56.100 -0.350 0.000 0.883 174 R CB 1.413 31.611 30.300 -0.171 0.000 1.171 174 R HN 0.536 nan 8.270 nan 0.000 0.450 175 F N 2.619 122.429 119.950 -0.234 0.000 2.402 175 F HA 0.464 4.991 4.527 -0.000 0.000 0.355 175 F C 0.979 176.543 175.800 -0.394 0.000 1.123 175 F CA -0.280 57.532 58.000 -0.314 0.000 1.021 175 F CB 2.050 40.910 39.000 -0.233 0.000 1.160 175 F HN 0.695 nan 8.300 nan 0.000 0.451 176 G N 1.256 109.665 108.800 -0.651 0.000 2.531 176 G HA2 0.084 4.044 3.960 -0.000 0.000 0.281 176 G HA3 0.084 4.044 3.960 -0.000 0.000 0.281 176 G C 0.851 175.557 174.900 -0.324 0.000 1.382 176 G CA -0.235 44.450 45.100 -0.693 0.000 1.045 176 G HN 0.722 nan 8.290 nan 0.000 0.533 177 H N -0.019 118.930 119.070 -0.202 0.000 2.472 177 H HA -0.084 4.472 4.556 -0.000 0.000 0.295 177 H C 1.895 177.203 175.328 -0.034 0.000 1.051 177 H CA 1.922 57.941 56.048 -0.049 0.000 1.138 177 H CB 0.278 30.068 29.762 0.046 0.000 1.404 177 H HN 0.333 nan 8.280 nan 0.000 0.603 178 R N -0.350 120.167 120.500 0.029 0.000 2.468 178 R HA 0.119 4.459 4.340 -0.000 0.000 0.280 178 R C -0.639 175.725 176.300 0.107 0.000 0.963 178 R CA -0.167 55.920 56.100 -0.021 0.000 1.083 178 R CB 0.448 30.758 30.300 0.017 0.000 1.200 178 R HN 0.328 nan 8.270 nan 0.000 0.541 179 Y N -3.481 116.826 120.300 0.011 0.000 2.665 179 Y HA 0.767 5.317 4.550 -0.000 0.000 0.336 179 Y C -0.685 175.188 175.900 -0.045 0.000 1.085 179 Y CA -1.452 56.639 58.100 -0.015 0.000 1.096 179 Y CB 1.552 40.001 38.460 -0.018 0.000 1.301 179 Y HN -0.265 nan 8.280 nan 0.000 0.493 180 S N 0.667 116.373 115.700 0.011 0.000 2.546 180 S HA 0.488 4.958 4.470 -0.000 0.000 0.274 180 S C -1.911 172.599 174.600 -0.150 0.000 1.121 180 S CA -0.695 57.323 58.200 -0.303 0.000 0.887 180 S CB 1.753 64.693 63.200 -0.434 0.000 1.094 180 S HN 0.816 nan 8.310 nan 0.000 0.474 181 Q N 2.214 121.828 119.800 -0.311 0.000 2.340 181 Q HA 0.451 4.791 4.340 -0.000 0.000 0.276 181 Q C -1.791 174.026 176.000 -0.306 0.000 1.048 181 Q CA -0.612 55.084 55.803 -0.178 0.000 0.832 181 Q CB 1.066 29.845 28.738 0.068 0.000 1.373 181 Q HN 0.600 nan 8.270 nan 0.000 0.409 182 F N 3.814 123.703 119.950 -0.101 0.000 2.471 182 F HA 0.100 4.627 4.527 -0.000 0.000 0.365 182 F C 1.287 177.044 175.800 -0.072 0.000 1.095 182 F CA 0.041 57.980 58.000 -0.101 0.000 1.174 182 F CB 0.712 39.672 39.000 -0.066 0.000 1.105 182 F HN 0.582 nan 8.300 nan 0.000 0.535 183 M N 2.045 121.697 119.600 0.087 0.000 2.435 183 M HA 0.252 4.732 4.480 -0.000 0.000 0.265 183 M C 0.884 177.235 176.300 0.084 0.000 1.104 183 M CA 0.404 55.733 55.300 0.049 0.000 1.140 183 M CB -0.480 32.109 32.600 -0.019 0.000 1.372 183 M HN 0.569 nan 8.290 nan 0.000 0.456 184 G N 0.558 109.433 108.800 0.123 0.000 2.732 184 G HA2 0.649 4.609 3.960 -0.000 0.000 0.296 184 G HA3 0.649 4.609 3.960 -0.000 0.000 0.296 184 G C -1.514 173.468 174.900 0.137 0.000 1.448 184 G CA -0.559 44.615 45.100 0.124 0.000 0.911 184 G HN 0.146 nan 8.290 nan 0.000 0.528 185 I N 1.684 122.305 120.570 0.085 0.000 2.517 185 I HA 0.264 4.434 4.170 -0.000 0.000 0.280 185 I C -1.195 175.002 176.117 0.134 0.000 1.061 185 I CA -0.543 60.783 61.300 0.043 0.000 1.091 185 I CB 1.854 39.748 38.000 -0.177 0.000 1.205 185 I HN 0.435 nan 8.210 nan 0.000 0.459 186 F N 6.300 126.289 119.950 0.065 0.000 2.411 186 F HA 0.500 5.027 4.527 -0.000 0.000 0.350 186 F C -0.007 175.841 175.800 0.079 0.000 1.114 186 F CA 0.051 58.099 58.000 0.081 0.000 1.135 186 F CB 0.827 39.898 39.000 0.118 0.000 1.120 186 F HN 0.397 nan 8.300 nan 0.000 0.495 187 E N 4.243 124.070 120.200 -0.621 0.000 2.272 187 E HA 0.304 4.654 4.350 -0.000 0.000 0.269 187 E C -1.694 174.528 176.600 -0.630 0.000 0.877 187 E CA -0.860 55.262 56.400 -0.462 0.000 0.755 187 E CB 2.016 31.593 29.700 -0.206 0.000 1.192 187 E HN 0.552 nan 8.360 nan 0.000 0.422 188 D N 1.110 121.269 120.400 -0.401 0.000 2.596 188 D HA 0.384 5.024 4.640 -0.000 0.000 0.262 188 D C -1.348 174.906 176.300 -0.078 0.000 1.210 188 D CA -0.694 53.171 54.000 -0.224 0.000 0.873 188 D CB 1.610 42.335 40.800 -0.124 0.000 1.408 188 D HN 0.205 nan 8.370 nan 0.000 0.441 189 R N 0.354 120.830 120.500 -0.040 0.000 2.387 189 R HA 0.807 5.147 4.340 -0.000 0.000 0.314 189 R C -0.838 175.372 176.300 -0.150 0.000 0.958 189 R CA -0.689 55.395 56.100 -0.028 0.000 0.846 189 R CB 1.906 32.175 30.300 -0.051 0.000 1.147 189 R HN 0.345 nan 8.270 nan 0.000 0.447 190 A N 5.263 127.928 122.820 -0.258 0.000 2.304 190 A HA 0.591 4.911 4.320 -0.000 0.000 0.323 190 A C -2.439 175.035 177.584 -0.182 0.000 1.195 190 A CA -2.040 49.600 52.037 -0.662 0.000 0.826 190 A CB 0.825 19.273 19.000 -0.920 0.000 1.184 190 A HN 0.409 nan 8.150 nan 0.000 0.496 191 P HA 0.184 nan 4.420 nan 0.000 0.268 191 P C -0.306 177.036 177.300 0.069 0.000 1.205 191 P CA -0.045 63.094 63.100 0.064 0.000 0.771 191 P CB 0.645 32.376 31.700 0.051 0.000 0.858 192 V N 6.304 126.304 119.914 0.144 0.000 2.555 192 V HA 0.136 4.256 4.120 -0.000 0.000 0.286 192 V C -1.836 174.304 176.094 0.076 0.000 1.044 192 V CA -1.326 61.034 62.300 0.100 0.000 1.026 192 V CB 0.281 32.180 31.823 0.126 0.000 0.981 192 V HN 0.562 nan 8.190 nan 0.000 0.480 193 P HA 0.063 nan 4.420 nan 0.000 0.269 193 P C 0.547 177.878 177.300 0.051 0.000 1.209 193 P CA -0.216 62.928 63.100 0.073 0.000 0.776 193 P CB 0.424 32.161 31.700 0.062 0.000 0.876 194 F N 3.877 123.806 119.950 -0.036 0.000 2.043 194 F HA -0.320 4.207 4.527 -0.000 0.000 0.297 194 F C 2.014 177.777 175.800 -0.062 0.000 1.118 194 F CA 2.480 60.440 58.000 -0.067 0.000 1.202 194 F CB -0.658 38.306 39.000 -0.059 0.000 0.965 194 F HN 0.423 nan 8.300 nan 0.000 0.482 195 E N 0.307 120.392 120.200 -0.191 0.000 2.118 195 E HA -0.279 4.071 4.350 -0.000 0.000 0.195 195 E C 2.017 178.457 176.600 -0.265 0.000 0.992 195 E CA 1.883 58.097 56.400 -0.310 0.000 0.804 195 E CB -0.995 28.680 29.700 -0.041 0.000 0.741 195 E HN 0.725 nan 8.360 nan 0.000 0.458 196 E N 0.233 120.337 120.200 -0.160 0.000 2.152 196 E HA -0.109 4.241 4.350 -0.000 0.000 0.192 196 E C 1.855 178.349 176.600 -0.176 0.000 0.983 196 E CA 1.070 57.397 56.400 -0.122 0.000 0.818 196 E CB 0.167 29.833 29.700 -0.056 0.000 0.758 196 E HN 0.259 nan 8.360 nan 0.000 0.467 197 V N 1.422 121.177 119.914 -0.264 0.000 2.270 197 V HA -0.250 3.870 4.120 -0.000 0.000 0.245 197 V C 2.364 178.282 176.094 -0.294 0.000 1.043 197 V CA 1.150 63.233 62.300 -0.362 0.000 1.014 197 V CB -0.379 31.113 31.823 -0.551 0.000 0.645 197 V HN 0.348 nan 8.190 nan 0.000 0.447 198 I N 0.554 120.899 120.570 -0.375 0.000 2.099 198 I HA -0.210 3.960 4.170 -0.000 0.000 0.239 198 I C 2.295 178.300 176.117 -0.187 0.000 1.066 198 I CA 1.917 63.046 61.300 -0.285 0.000 1.324 198 I CB -1.327 36.375 38.000 -0.497 0.000 1.037 198 I HN 0.350 nan 8.210 nan 0.000 0.401 199 D N 0.400 120.683 120.400 -0.193 0.000 2.120 199 D HA -0.114 4.526 4.640 -0.000 0.000 0.202 199 D C 2.251 178.492 176.300 -0.098 0.000 0.972 199 D CA 1.208 55.133 54.000 -0.125 0.000 0.837 199 D CB 0.051 40.788 40.800 -0.105 0.000 0.989 199 D HN 0.110 nan 8.370 nan 0.000 0.469 200 K N -0.025 120.316 120.400 -0.099 0.000 2.121 200 K HA 0.253 4.573 4.320 -0.000 0.000 0.203 200 K C 2.173 178.729 176.600 -0.073 0.000 1.041 200 K CA 0.300 56.543 56.287 -0.072 0.000 0.969 200 K CB -0.179 32.287 32.500 -0.057 0.000 0.799 200 K HN 0.083 nan 8.250 nan 0.000 0.456 201 I N 0.636 121.155 120.570 -0.085 0.000 2.339 201 I HA -0.153 4.017 4.170 -0.000 0.000 0.245 201 I C 1.979 178.054 176.117 -0.071 0.000 1.096 201 I CA 1.209 62.468 61.300 -0.068 0.000 1.408 201 I CB -0.274 37.699 38.000 -0.045 0.000 1.092 201 I HN 0.194 nan 8.210 nan 0.000 0.423 202 N N 1.442 120.101 118.700 -0.068 0.000 2.171 202 N HA -0.128 4.612 4.740 -0.000 0.000 0.184 202 N C 1.815 177.276 175.510 -0.083 0.000 1.021 202 N CA 1.600 54.623 53.050 -0.044 0.000 0.854 202 N CB -0.042 38.453 38.487 0.013 0.000 0.994 202 N HN 0.275 nan 8.380 nan 0.000 0.426 203 A N -0.161 122.606 122.820 -0.088 0.000 1.872 203 A HA 0.035 4.355 4.320 -0.000 0.000 0.214 203 A C 1.812 179.349 177.584 -0.078 0.000 1.187 203 A CA 1.488 53.471 52.037 -0.089 0.000 0.614 203 A CB -0.128 18.822 19.000 -0.084 0.000 0.826 203 A HN 0.407 nan 8.150 nan 0.000 0.442 204 K N -3.023 117.334 120.400 -0.072 0.000 2.491 204 K HA 0.337 4.657 4.320 -0.000 0.000 0.211 204 K C 0.645 177.207 176.600 -0.065 0.000 1.210 204 K CA 0.504 56.753 56.287 -0.062 0.000 1.003 204 K CB 0.991 33.460 32.500 -0.051 0.000 1.009 204 K HN 0.660 nan 8.250 nan 0.000 0.577 205 G N 1.901 110.655 108.800 -0.077 0.000 2.160 205 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.244 205 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.244 205 G C 0.004 174.864 174.900 -0.067 0.000 1.022 205 G CA 0.302 45.347 45.100 -0.091 0.000 0.741 205 G HN 0.267 nan 8.290 nan 0.000 0.508 206 V N -3.762 116.121 119.914 -0.051 0.000 3.113 206 V HA 0.926 5.046 4.120 -0.000 0.000 0.316 206 V C 0.315 176.392 176.094 -0.028 0.000 1.125 206 V CA -0.836 61.443 62.300 -0.035 0.000 1.026 206 V CB 1.975 33.783 31.823 -0.026 0.000 1.080 206 V HN 1.012 nan 8.190 nan 0.000 0.444 207 c N 1.585 120.175 118.600 -0.018 0.000 2.898 207 c HA 0.700 5.270 4.570 -0.000 0.000 0.304 207 c C 0.142 174.230 174.090 -0.004 0.000 1.237 207 c CA -0.575 55.747 56.329 -0.011 0.000 1.529 207 c CB 2.008 44.515 42.510 -0.005 0.000 2.021 207 c HN 1.136 nan 8.230 nan 0.000 0.474 208 R N 1.511 122.013 120.500 0.003 0.000 2.560 208 R HA 0.308 4.648 4.340 -0.000 0.000 0.270 208 R C 1.065 177.380 176.300 0.025 0.000 1.074 208 R CA 0.311 56.423 56.100 0.020 0.000 1.140 208 R CB 0.729 31.042 30.300 0.023 0.000 1.073 208 R HN 0.873 nan 8.270 nan 0.000 0.527 209 S N -1.187 114.548 115.700 0.059 0.000 2.593 209 S HA -0.028 4.442 4.470 -0.000 0.000 0.217 209 S C 0.663 175.322 174.600 0.099 0.000 0.966 209 S CA -0.185 58.071 58.200 0.093 0.000 0.914 209 S CB -0.156 63.147 63.200 0.170 0.000 0.776 209 S HN 0.698 nan 8.310 nan 0.000 0.523 210 T N -0.878 113.695 114.554 0.031 0.000 2.950 210 T HA 0.842 5.192 4.350 -0.000 0.000 0.288 210 T C -0.525 174.140 174.700 -0.059 0.000 1.035 210 T CA -0.626 61.422 62.100 -0.086 0.000 1.028 210 T CB 1.755 70.515 68.868 -0.179 0.000 1.109 210 T HN 0.443 nan 8.240 nan 0.000 0.514 211 A N 1.301 124.074 122.820 -0.078 0.000 2.371 211 A HA 0.783 5.103 4.320 -0.000 0.000 0.311 211 A C -0.560 177.081 177.584 0.095 0.000 1.068 211 A CA -0.957 51.097 52.037 0.029 0.000 0.744 211 A CB 1.426 20.463 19.000 0.061 0.000 1.239 211 A HN 0.944 nan 8.150 nan 0.000 0.435 212 K N 2.097 122.600 120.400 0.172 0.000 2.578 212 K HA 0.620 4.940 4.320 -0.000 0.000 0.250 212 K C -1.778 175.004 176.600 0.304 0.000 0.955 212 K CA -0.475 55.924 56.287 0.186 0.000 0.825 212 K CB 1.081 33.617 32.500 0.060 0.000 1.151 212 K HN 0.905 nan 8.250 nan 0.000 0.432 213 Y N -0.406 119.909 120.300 0.025 0.000 2.656 213 Y HA 0.502 5.052 4.550 -0.000 0.000 0.334 213 Y C -1.690 174.235 175.900 0.042 0.000 1.179 213 Y CA -1.516 56.607 58.100 0.039 0.000 1.050 213 Y CB 1.018 39.510 38.460 0.052 0.000 1.308 213 Y HN 0.066 nan 8.280 nan 0.000 0.456 214 V N 2.972 122.896 119.914 0.017 0.000 2.432 214 V HA 0.740 4.860 4.120 -0.000 0.000 0.275 214 V C -0.841 175.216 176.094 -0.062 0.000 1.043 214 V CA -0.121 62.135 62.300 -0.073 0.000 0.925 214 V CB 1.003 32.830 31.823 0.007 0.000 0.985 214 V HN 0.885 nan 8.190 nan 0.000 0.466 215 R N 5.241 125.650 120.500 -0.151 0.000 2.533 215 R HA 0.475 4.815 4.340 -0.000 0.000 0.288 215 R C -0.014 176.273 176.300 -0.022 0.000 1.039 215 R CA -0.116 55.962 56.100 -0.037 0.000 0.909 215 R CB 0.744 31.017 30.300 -0.045 0.000 1.195 215 R HN 0.800 nan 8.270 nan 0.000 0.438 216 N N 3.024 121.738 118.700 0.023 0.000 2.721 216 N HA -0.275 4.465 4.740 -0.000 0.000 0.249 216 N C -0.996 174.513 175.510 -0.003 0.000 1.072 216 N CA 1.551 54.611 53.050 0.017 0.000 0.710 216 N CB -1.524 36.978 38.487 0.024 0.000 0.993 216 N HN 0.965 nan 8.380 nan 0.000 0.547 217 N N -3.575 115.122 118.700 -0.006 0.000 2.850 217 N HA -0.235 4.505 4.740 -0.000 0.000 0.249 217 N C -0.799 174.697 175.510 -0.023 0.000 1.060 217 N CA 1.080 54.125 53.050 -0.009 0.000 0.825 217 N CB -0.745 37.740 38.487 -0.003 0.000 1.132 217 N HN 0.462 nan 8.380 nan 0.000 0.564 218 L N 0.538 121.734 121.223 -0.045 0.000 2.342 218 L HA 0.493 4.833 4.340 -0.000 0.000 0.271 218 L C -0.249 176.563 176.870 -0.098 0.000 1.008 218 L CA -0.702 54.102 54.840 -0.061 0.000 0.818 218 L CB 1.697 43.716 42.059 -0.067 0.000 1.296 218 L HN 0.087 nan 8.230 nan 0.000 0.427 219 E N 2.143 122.296 120.200 -0.078 0.000 2.089 219 E HA 0.239 4.589 4.350 -0.000 0.000 0.284 219 E C -1.121 175.410 176.600 -0.116 0.000 1.023 219 E CA -0.150 56.194 56.400 -0.094 0.000 0.819 219 E CB 0.744 30.422 29.700 -0.036 0.000 1.076 219 E HN 0.694 nan 8.360 nan 0.000 0.396 220 T N 2.708 117.128 114.554 -0.223 0.000 2.855 220 T HA 0.408 4.758 4.350 -0.000 0.000 0.281 220 T C -0.717 173.919 174.700 -0.107 0.000 1.007 220 T CA -0.413 61.575 62.100 -0.186 0.000 1.009 220 T CB 1.367 70.072 68.868 -0.272 0.000 0.983 220 T HN 0.296 nan 8.240 nan 0.000 0.455 221 T N 3.418 117.951 114.554 -0.036 0.000 2.824 221 T HA 0.744 5.094 4.350 -0.000 0.000 0.282 221 T C -0.709 173.925 174.700 -0.111 0.000 0.993 221 T CA -0.627 61.411 62.100 -0.102 0.000 0.967 221 T CB 1.394 70.150 68.868 -0.187 0.000 0.960 221 T HN 0.844 nan 8.240 nan 0.000 0.441 222 A N 2.794 125.524 122.820 -0.149 0.000 2.342 222 A HA 0.858 5.178 4.320 -0.000 0.000 0.323 222 A C -1.233 176.216 177.584 -0.225 0.000 1.125 222 A CA -0.693 51.329 52.037 -0.025 0.000 0.785 222 A CB 0.625 19.724 19.000 0.166 0.000 1.221 222 A HN 0.733 nan 8.150 nan 0.000 0.463 223 F N 1.380 121.412 119.950 0.136 0.000 2.427 223 F HA 0.315 4.842 4.527 -0.000 0.000 0.348 223 F C 0.558 176.430 175.800 0.120 0.000 1.125 223 F CA -0.427 57.635 58.000 0.104 0.000 0.989 223 F CB 1.301 40.322 39.000 0.034 0.000 1.165 223 F HN 0.755 nan 8.300 nan 0.000 0.442 224 H N 5.438 124.611 119.070 0.170 0.000 3.157 224 H HA 0.067 4.623 4.556 -0.000 0.000 0.299 224 H C 0.748 176.090 175.328 0.023 0.000 0.961 224 H CA 0.406 56.519 56.048 0.109 0.000 1.428 224 H CB 0.406 30.218 29.762 0.084 0.000 1.459 224 H HN 0.576 nan 8.280 nan 0.000 0.566 225 R N 3.055 123.263 120.500 -0.486 0.000 4.000 225 R HA -0.229 4.111 4.340 -0.000 0.000 0.362 225 R C -0.221 175.781 176.300 -0.496 0.000 1.183 225 R CA 0.985 56.543 56.100 -0.903 0.000 1.011 225 R CB -2.528 27.218 30.300 -0.923 0.000 1.501 225 R HN 1.025 nan 8.270 nan 0.000 0.553 226 D N -0.560 119.787 120.400 -0.089 0.000 2.882 226 D HA -0.199 4.441 4.640 -0.000 0.000 0.229 226 D C 0.200 176.381 176.300 -0.198 0.000 1.167 226 D CA 1.929 55.927 54.000 -0.002 0.000 0.759 226 D CB -0.571 40.299 40.800 0.117 0.000 1.088 226 D HN 0.524 nan 8.370 nan 0.000 0.425 227 D N -1.460 118.832 120.400 -0.179 0.000 2.569 227 D HA 0.335 4.975 4.640 -0.000 0.000 0.266 227 D C 0.123 176.301 176.300 -0.202 0.000 1.164 227 D CA -0.430 53.429 54.000 -0.235 0.000 1.071 227 D CB 0.838 41.554 40.800 -0.139 0.000 1.183 227 D HN 0.045 nan 8.370 nan 0.000 0.613 228 H N -0.199 118.855 119.070 -0.027 0.000 2.679 228 H HA 0.167 4.723 4.556 -0.000 0.000 0.369 228 H C -0.035 175.365 175.328 0.120 0.000 1.178 228 H CA -0.068 55.997 56.048 0.029 0.000 1.419 228 H CB 0.590 30.352 29.762 0.000 0.000 1.458 228 H HN 0.243 nan 8.280 nan 0.000 0.605 229 E N 1.752 122.140 120.200 0.313 0.000 2.299 229 E HA 0.055 4.405 4.350 -0.000 0.000 0.272 229 E C -0.621 176.072 176.600 0.156 0.000 1.043 229 E CA -0.444 56.098 56.400 0.236 0.000 0.895 229 E CB 0.413 30.248 29.700 0.225 0.000 1.011 229 E HN 0.689 nan 8.360 nan 0.000 0.432 230 T N 1.366 115.997 114.554 0.129 0.000 2.930 230 T HA 0.347 4.697 4.350 -0.000 0.000 0.290 230 T C -0.497 174.243 174.700 0.066 0.000 1.052 230 T CA -1.146 61.006 62.100 0.087 0.000 1.017 230 T CB 1.485 70.402 68.868 0.081 0.000 1.137 230 T HN 0.232 nan 8.240 nan 0.000 0.511 231 D N 1.632 122.058 120.400 0.042 0.000 2.249 231 D HA 0.441 5.081 4.640 -0.000 0.000 0.246 231 D C -0.156 176.155 176.300 0.018 0.000 1.114 231 D CA -0.105 53.909 54.000 0.024 0.000 0.854 231 D CB 0.978 41.784 40.800 0.010 0.000 1.132 231 D HN 0.511 nan 8.370 nan 0.000 0.461 232 M N 1.327 120.932 119.600 0.008 0.000 2.508 232 M HA 0.434 4.914 4.480 -0.000 0.000 0.327 232 M C 0.521 176.811 176.300 -0.017 0.000 1.160 232 M CA -0.977 54.322 55.300 -0.002 0.000 0.980 232 M CB 1.639 34.233 32.600 -0.011 0.000 1.693 232 M HN 0.308 nan 8.290 nan 0.000 0.452 233 E N 2.705 122.893 120.200 -0.021 0.000 2.301 233 E HA 0.577 4.927 4.350 -0.000 0.000 0.275 233 E C -1.065 175.516 176.600 -0.031 0.000 1.030 233 E CA -0.527 55.858 56.400 -0.025 0.000 0.852 233 E CB 0.827 30.516 29.700 -0.018 0.000 1.060 233 E HN 0.697 nan 8.360 nan 0.000 0.401 234 L N 2.040 123.250 121.223 -0.023 0.000 2.305 234 L HA 0.428 4.768 4.340 -0.000 0.000 0.281 234 L C 0.574 177.492 176.870 0.080 0.000 1.085 234 L CA -0.320 54.529 54.840 0.015 0.000 0.813 234 L CB 1.030 43.087 42.059 -0.002 0.000 1.157 234 L HN 0.789 nan 8.230 nan 0.000 0.436 235 K N 3.024 123.490 120.400 0.111 0.000 2.375 235 K HA 0.669 4.989 4.320 -0.000 0.000 0.249 235 K C -2.864 173.899 176.600 0.272 0.000 0.942 235 K CA -2.251 54.135 56.287 0.166 0.000 0.806 235 K CB 1.624 34.125 32.500 0.002 0.000 1.227 235 K HN 0.056 nan 8.250 nan 0.000 0.430 236 P HA -0.136 nan 4.420 nan 0.000 0.263 236 P C -0.518 176.783 177.300 0.001 0.000 1.175 236 P CA 0.313 63.358 63.100 -0.092 0.000 0.761 236 P CB 0.438 32.101 31.700 -0.062 0.000 0.794 237 A N 3.931 126.673 122.820 -0.130 0.000 2.492 237 A HA 0.044 4.364 4.320 -0.000 0.000 0.236 237 A C 0.611 178.148 177.584 -0.079 0.000 1.078 237 A CA -0.056 51.926 52.037 -0.091 0.000 0.773 237 A CB -0.288 18.572 19.000 -0.233 0.000 1.023 237 A HN 0.538 nan 8.150 nan 0.000 0.504 238 N N 0.299 118.952 118.700 -0.079 0.000 2.395 238 N HA 0.283 5.023 4.740 -0.000 0.000 0.246 238 N C 0.371 175.832 175.510 -0.083 0.000 1.246 238 N CA 0.886 53.904 53.050 -0.053 0.000 0.879 238 N CB 0.363 38.820 38.487 -0.050 0.000 1.098 238 N HN 0.821 nan 8.380 nan 0.000 0.444 239 A N 0.762 123.545 122.820 -0.062 0.000 2.546 239 A HA 0.446 4.766 4.320 -0.000 0.000 0.243 239 A C 0.116 177.657 177.584 -0.071 0.000 1.063 239 A CA 0.181 52.177 52.037 -0.068 0.000 0.757 239 A CB -0.291 18.680 19.000 -0.047 0.000 0.991 239 A HN 0.736 nan 8.150 nan 0.000 0.503 240 A N 2.415 125.186 122.820 -0.081 0.000 2.488 240 A HA 0.664 4.984 4.320 -0.000 0.000 0.295 240 A C 0.036 177.577 177.584 -0.073 0.000 1.045 240 A CA 0.126 52.118 52.037 -0.075 0.000 0.703 240 A CB 0.539 19.488 19.000 -0.085 0.000 1.271 240 A HN 1.962 nan 8.150 nan 0.000 0.400 241 T N -0.040 114.478 114.554 -0.060 0.000 2.900 241 T HA 0.424 4.774 4.350 -0.000 0.000 0.307 241 T C 0.606 175.270 174.700 -0.060 0.000 1.065 241 T CA 0.338 62.406 62.100 -0.055 0.000 1.105 241 T CB 0.058 68.899 68.868 -0.044 0.000 0.979 241 T HN 1.009 nan 8.240 nan 0.000 0.544 242 R N -0.038 120.428 120.500 -0.057 0.000 3.416 242 R HA -0.149 4.191 4.340 -0.000 0.000 0.263 242 R C 0.124 176.382 176.300 -0.071 0.000 1.053 242 R CA 0.968 57.032 56.100 -0.059 0.000 0.705 242 R CB -2.810 27.459 30.300 -0.052 0.000 1.124 242 R HN 1.085 nan 8.270 nan 0.000 0.444 243 T N -3.701 110.803 114.554 -0.083 0.000 2.906 243 T HA 0.587 4.937 4.350 -0.000 0.000 0.295 243 T C 0.569 175.202 174.700 -0.111 0.000 1.075 243 T CA -0.257 61.783 62.100 -0.099 0.000 1.005 243 T CB 2.187 70.989 68.868 -0.109 0.000 1.136 243 T HN 0.181 nan 8.240 nan 0.000 0.498 244 S N 1.370 116.998 115.700 -0.119 0.000 2.640 244 S HA 0.476 4.946 4.470 -0.000 0.000 0.262 244 S C 0.296 174.781 174.600 -0.191 0.000 1.232 244 S CA -1.065 57.059 58.200 -0.127 0.000 0.988 244 S CB 0.034 63.170 63.200 -0.108 0.000 1.034 244 S HN 0.841 nan 8.310 nan 0.000 0.569 245 R N -0.148 120.213 120.500 -0.232 0.000 2.490 245 R HA 0.551 4.891 4.340 -0.000 0.000 0.280 245 R C 0.354 176.260 176.300 -0.657 0.000 1.077 245 R CA 0.065 55.869 56.100 -0.493 0.000 1.065 245 R CB 0.629 30.597 30.300 -0.554 0.000 1.003 245 R HN 0.817 nan 8.270 nan 0.000 0.470 246 G N 1.511 109.780 108.800 -0.885 0.000 2.619 246 G HA2 0.594 4.554 3.960 -0.000 0.000 0.296 246 G HA3 0.594 4.554 3.960 -0.000 0.000 0.296 246 G C -1.623 172.776 174.900 -0.835 0.000 1.334 246 G CA -0.551 44.162 45.100 -0.646 0.000 0.934 246 G HN 0.439 nan 8.290 nan 0.000 0.476 247 W N 0.147 121.449 121.300 0.004 0.000 3.127 247 W HA 0.489 5.149 4.660 -0.000 0.000 0.330 247 W C -0.218 176.366 176.519 0.109 0.000 1.187 247 W CA -0.639 56.746 57.345 0.066 0.000 1.198 247 W CB 2.165 31.636 29.460 0.018 0.000 1.408 247 W HN 0.993 nan 8.180 nan 0.000 0.529 248 H N -2.628 116.521 119.070 0.132 0.000 2.959 248 H HA 0.597 5.153 4.556 -0.000 0.000 0.296 248 H C 0.375 175.722 175.328 0.031 0.000 1.421 248 H CA -0.179 55.889 56.048 0.032 0.000 1.206 248 H CB 2.002 31.750 29.762 -0.024 0.000 1.891 248 H HN 0.174 nan 8.280 nan 0.000 0.573 249 T N -2.713 111.782 114.554 -0.098 0.000 3.151 249 T HA 0.184 4.534 4.350 -0.000 0.000 0.239 249 T C 0.438 175.023 174.700 -0.192 0.000 0.979 249 T CA 0.563 62.562 62.100 -0.168 0.000 1.194 249 T CB -0.453 68.356 68.868 -0.099 0.000 0.982 249 T HN 0.552 nan 8.240 nan 0.000 0.428 250 T N 2.565 117.063 114.554 -0.092 0.000 2.837 250 T HA 0.391 4.741 4.350 -0.000 0.000 0.285 250 T C 0.036 174.807 174.700 0.118 0.000 0.984 250 T CA -0.648 61.426 62.100 -0.043 0.000 1.049 250 T CB 1.762 70.515 68.868 -0.192 0.000 0.947 250 T HN 0.190 nan 8.240 nan 0.000 0.472 251 D N 1.352 121.827 120.400 0.125 0.000 2.262 251 D HA 0.123 4.763 4.640 -0.000 0.000 0.212 251 D C 0.682 177.068 176.300 0.144 0.000 0.964 251 D CA 0.629 54.735 54.000 0.177 0.000 0.875 251 D CB 0.474 41.362 40.800 0.147 0.000 0.996 251 D HN 0.359 nan 8.370 nan 0.000 0.497 252 L N 1.223 122.540 121.223 0.155 0.000 2.387 252 L HA 0.286 4.626 4.340 -0.000 0.000 0.266 252 L C 0.387 177.381 176.870 0.206 0.000 1.059 252 L CA -0.837 54.101 54.840 0.163 0.000 0.801 252 L CB 1.050 43.210 42.059 0.168 0.000 1.223 252 L HN -0.340 nan 8.230 nan 0.000 0.456 253 K N 1.292 121.803 120.400 0.185 0.000 2.201 253 K HA 0.217 4.537 4.320 -0.000 0.000 0.278 253 K C -0.915 175.836 176.600 0.251 0.000 1.027 253 K CA -0.527 55.889 56.287 0.215 0.000 0.909 253 K CB 1.330 33.920 32.500 0.149 0.000 1.062 253 K HN 0.378 nan 8.250 nan 0.000 0.465 254 Y N 3.631 124.042 120.300 0.183 0.000 2.393 254 Y HA 0.132 4.682 4.550 -0.000 0.000 0.338 254 Y C -0.628 175.356 175.900 0.141 0.000 1.029 254 Y CA -0.095 58.083 58.100 0.130 0.000 1.239 254 Y CB 0.462 38.953 38.460 0.052 0.000 1.170 254 Y HN 0.454 nan 8.280 nan 0.000 0.515 255 N N 7.657 125.989 118.700 -0.612 0.000 2.272 255 N HA 0.383 5.123 4.740 -0.000 0.000 0.305 255 N C -3.006 172.019 175.510 -0.808 0.000 1.103 255 N CA -1.982 50.727 53.050 -0.568 0.000 0.791 255 N CB 1.754 40.133 38.487 -0.179 0.000 1.356 255 N HN 0.400 nan 8.380 nan 0.000 0.486 256 P HA 0.109 nan 4.420 nan 0.000 0.276 256 P C 0.128 177.427 177.300 -0.003 0.000 1.235 256 P CA -0.095 62.874 63.100 -0.218 0.000 0.772 256 P CB 0.660 32.294 31.700 -0.111 0.000 0.871 257 S N 2.103 117.794 115.700 -0.014 0.000 2.596 257 S HA 0.053 4.523 4.470 -0.000 0.000 0.260 257 S C 1.515 175.877 174.600 -0.395 0.000 1.336 257 S CA -0.403 57.749 58.200 -0.081 0.000 0.993 257 S CB 0.244 63.408 63.200 -0.059 0.000 0.923 257 S HN 0.493 nan 8.310 nan 0.000 0.567 258 R N 0.771 120.842 120.500 -0.715 0.000 2.148 258 R HA -0.030 4.310 4.340 -0.000 0.000 0.223 258 R C 1.795 177.689 176.300 -0.677 0.000 1.088 258 R CA 1.663 56.957 56.100 -1.344 0.000 0.985 258 R CB -0.501 29.162 30.300 -1.062 0.000 0.880 258 R HN 0.644 nan 8.270 nan 0.000 0.451 259 V N -1.196 118.488 119.914 -0.384 0.000 2.719 259 V HA -0.002 4.118 4.120 -0.000 0.000 0.252 259 V C 0.434 176.400 176.094 -0.213 0.000 1.065 259 V CA 0.905 63.053 62.300 -0.254 0.000 1.086 259 V CB -0.476 31.248 31.823 -0.164 0.000 0.700 259 V HN 0.164 nan 8.190 nan 0.000 0.467 260 E N 1.596 121.697 120.200 -0.164 0.000 2.214 260 E HA 0.299 4.649 4.350 -0.000 0.000 0.291 260 E C 1.480 178.039 176.600 -0.068 0.000 1.137 260 E CA 0.342 56.715 56.400 -0.044 0.000 1.175 260 E CB 0.261 30.017 29.700 0.094 0.000 1.071 260 E HN 0.691 nan 8.360 nan 0.000 0.467 261 A N 1.636 124.330 122.820 -0.211 0.000 2.119 261 A HA -0.077 4.243 4.320 -0.000 0.000 0.217 261 A C 1.049 178.542 177.584 -0.152 0.000 1.153 261 A CA 0.614 52.490 52.037 -0.267 0.000 0.692 261 A CB 0.015 18.753 19.000 -0.437 0.000 0.799 261 A HN 0.372 nan 8.150 nan 0.000 0.458 262 F N -1.280 118.720 119.950 0.083 0.000 2.660 262 F HA 0.253 4.780 4.527 -0.000 0.000 0.302 262 F C 0.474 176.405 175.800 0.218 0.000 1.103 262 F CA -0.237 57.828 58.000 0.108 0.000 1.340 262 F CB -0.128 38.907 39.000 0.057 0.000 1.048 262 F HN 0.311 nan 8.300 nan 0.000 0.551 263 H N 0.114 119.324 119.070 0.233 0.000 2.852 263 H HA 0.397 4.953 4.556 -0.000 0.000 0.274 263 H C 0.122 175.585 175.328 0.225 0.000 1.321 263 H CA -0.579 55.617 56.048 0.245 0.000 1.582 263 H CB 0.359 30.250 29.762 0.215 0.000 1.699 263 H HN -0.191 nan 8.280 nan 0.000 0.546 264 R N 3.896 124.522 120.500 0.209 0.000 2.893 264 R HA 0.210 4.550 4.340 -0.000 0.000 0.317 264 R C -0.988 175.094 176.300 -0.362 0.000 1.239 264 R CA -0.027 56.059 56.100 -0.023 0.000 1.128 264 R CB -0.253 30.021 30.300 -0.043 0.000 1.377 264 R HN 0.406 nan 8.270 nan 0.000 0.583 265 Y N -1.748 118.421 120.300 -0.219 0.000 2.571 265 Y HA 0.530 5.080 4.550 -0.000 0.000 0.341 265 Y C 0.413 176.180 175.900 -0.223 0.000 1.076 265 Y CA -1.163 56.852 58.100 -0.142 0.000 1.029 265 Y CB 2.435 40.887 38.460 -0.014 0.000 1.308 265 Y HN 0.071 nan 8.280 nan 0.000 0.461 266 G N 0.969 109.873 108.800 0.172 0.000 2.753 266 G HA2 0.485 4.445 3.960 -0.000 0.000 0.282 266 G HA3 0.485 4.445 3.960 -0.000 0.000 0.282 266 G C -1.331 173.850 174.900 0.469 0.000 1.512 266 G CA -0.719 44.575 45.100 0.323 0.000 1.076 266 G HN 0.411 nan 8.290 nan 0.000 0.545 267 T N 2.379 117.252 114.554 0.532 0.000 2.780 267 T HA 0.513 4.863 4.350 -0.000 0.000 0.294 267 T C 0.350 175.301 174.700 0.417 0.000 0.949 267 T CA 0.157 62.502 62.100 0.408 0.000 1.074 267 T CB 1.109 70.184 68.868 0.346 0.000 0.910 267 T HN 0.391 nan 8.240 nan 0.000 0.501 268 T N 2.864 117.658 114.554 0.401 0.000 2.895 268 T HA 0.588 4.938 4.350 -0.000 0.000 0.283 268 T C -0.423 174.493 174.700 0.360 0.000 1.014 268 T CA -0.601 61.785 62.100 0.477 0.000 1.037 268 T CB 1.375 70.457 68.868 0.357 0.000 1.006 268 T HN 0.322 nan 8.240 nan 0.000 0.468 269 V N 3.482 123.580 119.914 0.308 0.000 2.482 269 V HA 0.458 4.578 4.120 -0.000 0.000 0.295 269 V C -0.634 175.393 176.094 -0.112 0.000 1.026 269 V CA -0.920 61.423 62.300 0.073 0.000 0.856 269 V CB 1.666 33.541 31.823 0.087 0.000 1.001 269 V HN 0.778 nan 8.190 nan 0.000 0.424 270 N N 3.003 121.681 118.700 -0.038 0.000 2.479 270 N HA 0.333 5.073 4.740 -0.000 0.000 0.261 270 N C -0.685 174.794 175.510 -0.051 0.000 0.979 270 N CA -0.177 52.845 53.050 -0.047 0.000 0.930 270 N CB 1.365 39.860 38.487 0.014 0.000 1.172 270 N HN 0.741 nan 8.380 nan 0.000 0.499 271 c N 5.408 123.973 118.600 -0.058 0.000 2.514 271 c HA 0.590 5.160 4.570 -0.000 0.000 0.392 271 c C -0.039 173.998 174.090 -0.088 0.000 1.294 271 c CA -0.501 55.787 56.329 -0.068 0.000 1.957 271 c CB -1.371 41.120 42.510 -0.031 0.000 2.541 271 c HN 0.622 nan 8.230 nan 0.000 0.569 272 I N 6.262 126.688 120.570 -0.241 0.000 2.499 272 I HA 0.420 4.590 4.170 -0.000 0.000 0.288 272 I C -0.733 175.211 176.117 -0.287 0.000 1.048 272 I CA -0.495 60.601 61.300 -0.341 0.000 1.062 272 I CB 1.875 39.407 38.000 -0.780 0.000 1.238 272 I HN 0.284 nan 8.210 nan 0.000 0.426 273 V N 5.693 125.579 119.914 -0.046 0.000 2.409 273 V HA 0.408 4.528 4.120 -0.000 0.000 0.291 273 V C -0.313 175.849 176.094 0.113 0.000 1.020 273 V CA -0.613 61.678 62.300 -0.016 0.000 0.848 273 V CB 1.635 33.516 31.823 0.098 0.000 0.990 273 V HN 0.675 nan 8.190 nan 0.000 0.430 274 E N 3.386 123.575 120.200 -0.019 0.000 2.210 274 E HA 0.432 4.782 4.350 -0.000 0.000 0.266 274 E C -0.964 175.636 176.600 -0.000 0.000 0.883 274 E CA -0.681 55.722 56.400 0.004 0.000 0.761 274 E CB 2.701 32.388 29.700 -0.022 0.000 1.156 274 E HN 0.644 nan 8.360 nan 0.000 0.412 275 E N 2.015 122.250 120.200 0.057 0.000 2.180 275 E HA 0.195 4.545 4.350 -0.000 0.000 0.283 275 E C -0.322 176.245 176.600 -0.054 0.000 1.061 275 E CA -0.361 56.058 56.400 0.033 0.000 0.861 275 E CB 1.078 30.842 29.700 0.107 0.000 1.056 275 E HN 0.256 nan 8.360 nan 0.000 0.407 276 V N 0.205 120.064 119.914 -0.092 0.000 2.815 276 V HA 0.437 4.556 4.120 -0.000 0.000 0.314 276 V C -0.262 175.712 176.094 -0.200 0.000 1.064 276 V CA -1.254 60.958 62.300 -0.146 0.000 0.952 276 V CB 2.036 33.756 31.823 -0.172 0.000 1.020 276 V HN 0.354 nan 8.190 nan 0.000 0.439 277 D N 2.191 122.461 120.400 -0.216 0.000 2.345 277 D HA 0.691 5.331 4.640 -0.000 0.000 0.247 277 D C 0.102 176.169 176.300 -0.388 0.000 1.108 277 D CA 0.632 54.463 54.000 -0.282 0.000 0.894 277 D CB 1.639 42.308 40.800 -0.217 0.000 1.203 277 D HN 1.154 nan 8.370 nan 0.000 0.430 278 A N 2.890 125.337 122.820 -0.622 0.000 2.365 278 A HA 0.796 5.116 4.320 -0.000 0.000 0.318 278 A C -0.364 176.834 177.584 -0.644 0.000 1.091 278 A CA -0.742 50.826 52.037 -0.782 0.000 0.763 278 A CB 1.232 19.323 19.000 -1.514 0.000 1.248 278 A HN 0.508 nan 8.150 nan 0.000 0.442 279 R N 0.417 120.727 120.500 -0.316 0.000 2.628 279 R HA 0.708 5.048 4.340 -0.000 0.000 0.288 279 R C -0.895 175.456 176.300 0.084 0.000 0.980 279 R CA -0.371 55.665 56.100 -0.107 0.000 0.891 279 R CB 2.330 32.564 30.300 -0.109 0.000 1.188 279 R HN 0.719 nan 8.270 nan 0.000 0.450 280 S N 1.427 117.285 115.700 0.263 0.000 2.549 280 S HA 0.689 5.159 4.470 -0.000 0.000 0.280 280 S C -1.064 173.780 174.600 0.405 0.000 1.109 280 S CA -0.671 57.757 58.200 0.380 0.000 0.905 280 S CB 1.629 65.175 63.200 0.578 0.000 1.081 280 S HN 0.386 nan 8.310 nan 0.000 0.477 281 V N 2.280 122.304 119.914 0.184 0.000 2.864 281 V HA 0.643 4.763 4.120 -0.000 0.000 0.314 281 V C -0.441 175.267 176.094 -0.644 0.000 1.073 281 V CA -1.139 61.127 62.300 -0.055 0.000 0.956 281 V CB 0.957 32.781 31.823 0.000 0.000 1.023 281 V HN 0.957 nan 8.190 nan 0.000 0.435 282 Y N 4.942 124.511 120.300 -1.217 0.000 2.987 282 Y HA 0.185 4.735 4.550 -0.000 0.000 0.339 282 Y C -1.501 174.126 175.900 -0.455 0.000 1.272 282 Y CA -0.300 57.144 58.100 -1.094 0.000 1.562 282 Y CB 0.844 39.020 38.460 -0.474 0.000 1.253 282 Y HN 0.642 nan 8.280 nan 0.000 0.604 283 P HA 0.107 nan 4.420 nan 0.000 0.249 283 P C -1.344 175.725 177.300 -0.384 0.000 1.544 283 P CA 0.067 62.525 63.100 -1.070 0.000 0.932 283 P CB -0.607 30.636 31.700 -0.760 0.000 1.524 284 Y N 0.112 120.386 120.300 -0.044 0.000 3.234 284 Y HA -0.222 4.328 4.550 -0.000 0.000 0.207 284 Y C 0.654 176.627 175.900 0.122 0.000 1.316 284 Y CA 0.528 58.692 58.100 0.106 0.000 1.309 284 Y CB -2.766 35.849 38.460 0.258 0.000 1.408 284 Y HN 0.230 nan 8.280 nan 0.000 0.544 285 D N -0.154 120.329 120.400 0.137 0.000 2.369 285 D HA 0.094 4.734 4.640 -0.000 0.000 0.211 285 D C 0.581 177.008 176.300 0.210 0.000 1.077 285 D CA 0.855 54.941 54.000 0.144 0.000 0.842 285 D CB 0.353 41.104 40.800 -0.081 0.000 0.947 285 D HN 0.744 nan 8.370 nan 0.000 0.509 286 E N -0.536 119.781 120.200 0.194 0.000 2.416 286 E HA 0.451 4.801 4.350 -0.000 0.000 0.280 286 E C -1.383 175.317 176.600 0.168 0.000 1.055 286 E CA -1.052 55.438 56.400 0.151 0.000 0.825 286 E CB 1.405 31.180 29.700 0.125 0.000 1.312 286 E HN 0.023 nan 8.360 nan 0.000 0.452 287 F N -0.498 119.400 119.950 -0.087 0.000 2.726 287 F HA 0.836 5.363 4.527 -0.000 0.000 0.324 287 F C -1.271 174.274 175.800 -0.426 0.000 1.140 287 F CA -0.785 57.109 58.000 -0.177 0.000 0.964 287 F CB 1.105 40.088 39.000 -0.029 0.000 1.399 287 F HN 0.462 nan 8.300 nan 0.000 0.491 288 V N -0.554 119.259 119.914 -0.168 0.000 3.130 288 V HA 0.788 4.908 4.120 -0.000 0.000 0.310 288 V C -1.408 174.567 176.094 -0.199 0.000 1.158 288 V CA -1.141 60.889 62.300 -0.449 0.000 1.029 288 V CB 1.597 32.953 31.823 -0.779 0.000 1.057 288 V HN 1.013 nan 8.190 nan 0.000 0.436 289 L N 1.353 122.424 121.223 -0.253 0.000 2.286 289 L HA 0.779 5.119 4.340 -0.000 0.000 0.265 289 L C 1.715 178.441 176.870 -0.239 0.000 1.012 289 L CA -0.389 54.307 54.840 -0.241 0.000 0.818 289 L CB 1.805 43.702 42.059 -0.270 0.000 1.337 289 L HN 0.862 nan 8.230 nan 0.000 0.438 290 A N -0.395 122.291 122.820 -0.223 0.000 2.125 290 A HA -0.132 4.188 4.320 -0.000 0.000 0.219 290 A C 1.905 179.388 177.584 -0.169 0.000 1.156 290 A CA 1.922 53.849 52.037 -0.184 0.000 0.671 290 A CB -0.955 17.945 19.000 -0.166 0.000 0.794 290 A HN 0.898 nan 8.150 nan 0.000 0.459 291 T N -4.543 109.893 114.554 -0.196 0.000 3.085 291 T HA 0.359 4.709 4.350 -0.000 0.000 0.263 291 T C 1.442 176.048 174.700 -0.157 0.000 1.127 291 T CA 1.166 63.156 62.100 -0.185 0.000 1.103 291 T CB 0.016 68.733 68.868 -0.251 0.000 0.921 291 T HN 1.603 nan 8.240 nan 0.000 0.510 292 G N 0.964 109.669 108.800 -0.157 0.000 2.179 292 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.220 292 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.220 292 G C -0.430 174.435 174.900 -0.059 0.000 0.990 292 G CA -0.133 44.906 45.100 -0.101 0.000 0.646 292 G HN 0.570 nan 8.290 nan 0.000 0.517 293 D N 0.363 120.682 120.400 -0.135 0.000 2.277 293 D HA 0.462 5.102 4.640 -0.000 0.000 0.249 293 D C -0.074 176.177 176.300 -0.081 0.000 1.134 293 D CA -0.076 53.890 54.000 -0.057 0.000 0.863 293 D CB 0.773 41.447 40.800 -0.210 0.000 1.143 293 D HN 0.028 nan 8.370 nan 0.000 0.458 294 F N 1.385 121.254 119.950 -0.134 0.000 2.427 294 F HA 0.116 4.643 4.527 -0.000 0.000 0.352 294 F C 0.584 176.133 175.800 -0.418 0.000 1.100 294 F CA -0.310 57.470 58.000 -0.367 0.000 1.191 294 F CB 1.033 39.707 39.000 -0.542 0.000 1.128 294 F HN -0.016 nan 8.300 nan 0.000 0.533 295 V N 5.554 125.123 119.914 -0.574 0.000 2.384 295 V HA 0.138 4.258 4.120 -0.000 0.000 0.287 295 V C -0.689 175.083 176.094 -0.537 0.000 1.020 295 V CA -0.875 61.077 62.300 -0.580 0.000 0.850 295 V CB 0.941 32.026 31.823 -1.229 0.000 0.987 295 V HN 0.543 nan 8.190 nan 0.000 0.436 296 Y N 5.426 125.790 120.300 0.106 0.000 2.903 296 Y HA 0.552 5.102 4.550 -0.000 0.000 0.387 296 Y C 0.323 176.295 175.900 0.120 0.000 1.189 296 Y CA -0.027 58.115 58.100 0.071 0.000 1.856 296 Y CB 0.185 38.602 38.460 -0.072 0.000 1.917 296 Y HN 0.583 nan 8.280 nan 0.000 0.448 297 M N 0.453 120.158 119.600 0.174 0.000 2.421 297 M HA 0.393 4.873 4.480 -0.000 0.000 0.287 297 M C -0.574 175.897 176.300 0.284 0.000 1.183 297 M CA -0.711 54.700 55.300 0.186 0.000 0.916 297 M CB 1.748 34.431 32.600 0.137 0.000 1.701 297 M HN 0.106 nan 8.290 nan 0.000 0.470 298 S N 3.930 119.821 115.700 0.319 0.000 2.558 298 S HA 0.213 4.683 4.470 -0.000 0.000 0.288 298 S C -2.013 172.755 174.600 0.280 0.000 1.318 298 S CA -0.560 57.835 58.200 0.325 0.000 1.056 298 S CB 0.507 63.934 63.200 0.378 0.000 0.853 298 S HN 0.640 nan 8.310 nan 0.000 0.505 299 P HA 0.061 nan 4.420 nan 0.000 0.230 299 P C 0.153 177.249 177.300 -0.340 0.000 1.158 299 P CA 1.050 63.794 63.100 -0.592 0.000 0.769 299 P CB -0.028 30.811 31.700 -1.435 0.000 0.807 300 F N -4.268 115.824 119.950 0.237 0.000 2.695 300 F HA 0.199 4.726 4.527 -0.000 0.000 0.303 300 F C 1.180 177.288 175.800 0.512 0.000 1.091 300 F CA -0.837 57.313 58.000 0.249 0.000 1.300 300 F CB -0.545 38.469 39.000 0.022 0.000 1.071 300 F HN -0.182 nan 8.300 nan 0.000 0.578 301 Y N 1.600 122.126 120.300 0.376 0.000 2.607 301 Y HA 0.386 4.936 4.550 -0.000 0.000 0.348 301 Y C 0.768 176.645 175.900 -0.038 0.000 1.261 301 Y CA 1.000 59.164 58.100 0.107 0.000 1.480 301 Y CB 0.215 38.625 38.460 -0.084 0.000 1.358 301 Y HN 0.178 nan 8.280 nan 0.000 0.630 302 G N 2.326 110.618 108.800 -0.847 0.000 2.350 302 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.276 302 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.276 302 G C -0.938 173.626 174.900 -0.560 0.000 1.313 302 G CA -0.246 44.450 45.100 -0.674 0.000 0.903 302 G HN 0.595 nan 8.290 nan 0.000 0.490 303 Y N 0.415 120.514 120.300 -0.334 0.000 2.581 303 Y HA 0.280 4.830 4.550 -0.000 0.000 0.271 303 Y C 1.936 177.662 175.900 -0.290 0.000 1.100 303 Y CA -0.513 57.461 58.100 -0.209 0.000 1.281 303 Y CB 0.430 38.816 38.460 -0.123 0.000 1.237 303 Y HN 0.143 nan 8.280 nan 0.000 0.514 304 R N 2.062 122.364 120.500 -0.330 0.000 2.734 304 R HA 0.021 4.361 4.340 -0.000 0.000 0.266 304 R C 0.162 176.343 176.300 -0.199 0.000 1.044 304 R CA 0.022 55.928 56.100 -0.323 0.000 1.128 304 R CB 0.400 30.366 30.300 -0.555 0.000 1.010 304 R HN 0.175 nan 8.270 nan 0.000 0.461 305 E N 0.380 120.539 120.200 -0.068 0.000 3.401 305 E HA -0.272 4.078 4.350 -0.000 0.000 0.352 305 E C 1.020 177.624 176.600 0.006 0.000 1.523 305 E CA 2.237 58.642 56.400 0.008 0.000 1.794 305 E CB -1.188 28.569 29.700 0.095 0.000 1.792 305 E HN 0.889 nan 8.360 nan 0.000 0.471 306 G N -0.879 107.947 108.800 0.043 0.000 3.337 306 G HA2 0.190 4.150 3.960 -0.000 0.000 0.246 306 G HA3 0.190 4.150 3.960 -0.000 0.000 0.246 306 G C 0.771 175.703 174.900 0.054 0.000 1.131 306 G CA 0.775 45.900 45.100 0.043 0.000 0.773 306 G HN 0.462 nan 8.290 nan 0.000 0.544 307 S N -0.729 115.001 115.700 0.049 0.000 2.595 307 S HA -0.102 4.368 4.470 -0.000 0.000 0.235 307 S C 1.634 176.129 174.600 -0.175 0.000 0.974 307 S CA 0.854 59.079 58.200 0.043 0.000 0.942 307 S CB -0.385 62.909 63.200 0.156 0.000 0.766 307 S HN 0.525 nan 8.310 nan 0.000 0.536 308 H N 1.656 120.586 119.070 -0.233 0.000 2.548 308 H HA 0.097 4.653 4.556 -0.000 0.000 0.268 308 H C 1.941 177.201 175.328 -0.113 0.000 0.975 308 H CA 1.505 57.355 56.048 -0.329 0.000 1.195 308 H CB -0.035 29.647 29.762 -0.133 0.000 1.397 308 H HN 0.628 nan 8.280 nan 0.000 0.572 309 T N -2.006 112.575 114.554 0.044 0.000 3.148 309 T HA 0.043 4.393 4.350 -0.000 0.000 0.253 309 T C 0.514 175.277 174.700 0.106 0.000 1.134 309 T CA -0.240 61.908 62.100 0.081 0.000 1.051 309 T CB 0.072 68.989 68.868 0.081 0.000 0.959 309 T HN 0.106 nan 8.240 nan 0.000 0.525 310 E N 2.019 122.287 120.200 0.113 0.000 2.373 310 E HA 0.166 4.516 4.350 -0.000 0.000 0.263 310 E C -0.329 176.487 176.600 0.360 0.000 1.073 310 E CA -0.353 56.199 56.400 0.253 0.000 0.894 310 E CB 0.557 30.442 29.700 0.308 0.000 1.008 310 E HN 0.574 nan 8.360 nan 0.000 0.420 311 H N 0.210 119.410 119.070 0.216 0.000 2.848 311 H HA 0.146 4.702 4.556 -0.000 0.000 0.341 311 H C -0.661 174.672 175.328 0.009 0.000 1.060 311 H CA 0.683 56.800 56.048 0.116 0.000 1.444 311 H CB 0.606 30.416 29.762 0.079 0.000 1.446 311 H HN 0.238 nan 8.280 nan 0.000 0.583 312 T N 3.086 117.130 114.554 -0.850 0.000 2.952 312 T HA 0.261 4.611 4.350 -0.000 0.000 0.305 312 T C -0.043 174.172 174.700 -0.809 0.000 1.064 312 T CA -0.675 60.954 62.100 -0.785 0.000 1.008 312 T CB 1.019 69.364 68.868 -0.872 0.000 1.078 312 T HN 0.621 nan 8.240 nan 0.000 0.459 313 S N 3.126 118.457 115.700 -0.615 0.000 2.582 313 S HA 0.314 4.784 4.470 -0.000 0.000 0.234 313 S C -0.630 173.647 174.600 -0.539 0.000 0.961 313 S CA -0.238 57.644 58.200 -0.529 0.000 0.953 313 S CB -0.228 62.702 63.200 -0.451 0.000 0.800 313 S HN 0.655 nan 8.310 nan 0.000 0.471 314 Y N 1.275 121.471 120.300 -0.173 0.000 2.468 314 Y HA 0.625 5.175 4.550 -0.000 0.000 0.342 314 Y C 0.494 176.352 175.900 -0.070 0.000 1.021 314 Y CA -1.342 56.698 58.100 -0.100 0.000 1.079 314 Y CB 0.884 39.291 38.460 -0.089 0.000 1.226 314 Y HN 0.095 nan 8.280 nan 0.000 0.460 315 A N 1.347 124.255 122.820 0.146 0.000 2.555 315 A HA 0.294 4.614 4.320 -0.000 0.000 0.233 315 A C 1.385 179.043 177.584 0.123 0.000 1.060 315 A CA 0.445 52.543 52.037 0.101 0.000 0.759 315 A CB -0.201 18.852 19.000 0.087 0.000 0.995 315 A HN 1.086 nan 8.150 nan 0.000 0.506 316 A N 1.559 124.452 122.820 0.122 0.000 1.978 316 A HA -0.164 4.156 4.320 -0.000 0.000 0.220 316 A C 1.514 179.197 177.584 0.164 0.000 1.170 316 A CA 1.841 53.983 52.037 0.176 0.000 0.636 316 A CB -0.548 18.557 19.000 0.176 0.000 0.810 316 A HN 0.894 nan 8.150 nan 0.000 0.448 317 D N -0.685 119.776 120.400 0.102 0.000 2.371 317 D HA -0.109 4.531 4.640 -0.000 0.000 0.221 317 D C 1.584 177.910 176.300 0.042 0.000 0.986 317 D CA 0.471 54.506 54.000 0.059 0.000 0.899 317 D CB -0.404 40.421 40.800 0.041 0.000 0.902 317 D HN 0.492 nan 8.370 nan 0.000 0.530 318 R N -0.860 119.683 120.500 0.072 0.000 2.297 318 R HA 0.137 4.476 4.340 -0.000 0.000 0.197 318 R C -0.115 176.228 176.300 0.072 0.000 0.943 318 R CA -0.087 56.032 56.100 0.031 0.000 1.038 318 R CB 0.183 30.473 30.300 -0.015 0.000 0.957 318 R HN 0.108 nan 8.270 nan 0.000 0.484 319 F N 1.420 121.347 119.950 -0.038 0.000 2.482 319 F HA 0.407 4.934 4.527 -0.000 0.000 0.331 319 F C -0.817 174.934 175.800 -0.080 0.000 1.115 319 F CA -0.817 57.160 58.000 -0.039 0.000 0.955 319 F CB 1.073 40.084 39.000 0.019 0.000 1.136 319 F HN -0.376 nan 8.300 nan 0.000 0.452 320 K N 4.807 124.556 120.400 -1.085 0.000 2.469 320 K HA 0.326 4.646 4.320 -0.000 0.000 0.254 320 K C -1.688 174.218 176.600 -1.157 0.000 0.939 320 K CA -1.029 54.681 56.287 -0.961 0.000 0.812 320 K CB 2.738 34.691 32.500 -0.911 0.000 1.301 320 K HN 0.681 nan 8.250 nan 0.000 0.433 321 Q N 2.120 121.489 119.800 -0.719 0.000 2.303 321 Q HA 0.299 4.639 4.340 -0.000 0.000 0.267 321 Q C -1.587 174.293 176.000 -0.199 0.000 1.011 321 Q CA -0.617 54.872 55.803 -0.523 0.000 0.740 321 Q CB 1.882 30.293 28.738 -0.545 0.000 1.250 321 Q HN 0.357 nan 8.270 nan 0.000 0.458 322 V N 4.550 124.386 119.914 -0.131 0.000 2.364 322 V HA 0.258 4.378 4.120 -0.000 0.000 0.272 322 V C -0.038 176.084 176.094 0.046 0.000 1.036 322 V CA -0.507 61.812 62.300 0.030 0.000 0.880 322 V CB 1.260 33.179 31.823 0.161 0.000 0.991 322 V HN 0.770 nan 8.190 nan 0.000 0.460 323 D N 3.764 124.199 120.400 0.058 0.000 2.283 323 D HA 0.341 4.981 4.640 -0.000 0.000 0.248 323 D C 1.178 177.534 176.300 0.093 0.000 1.072 323 D CA 0.653 54.688 54.000 0.057 0.000 0.929 323 D CB 1.692 42.513 40.800 0.035 0.000 1.182 323 D HN 0.885 nan 8.370 nan 0.000 0.433 324 G N 1.700 110.536 108.800 0.060 0.000 2.283 324 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.280 324 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.280 324 G C 0.125 175.034 174.900 0.015 0.000 1.029 324 G CA 0.151 45.260 45.100 0.014 0.000 0.840 324 G HN 0.483 nan 8.290 nan 0.000 0.505 325 F N 0.571 120.462 119.950 -0.098 0.000 2.495 325 F HA 0.589 5.116 4.527 -0.000 0.000 0.365 325 F C 0.113 175.819 175.800 -0.156 0.000 1.090 325 F CA -0.863 57.109 58.000 -0.047 0.000 1.235 325 F CB 0.454 39.439 39.000 -0.024 0.000 1.119 325 F HN 0.101 nan 8.300 nan 0.000 0.562 326 Y N 5.485 125.313 120.300 -0.786 0.000 2.402 326 Y HA 0.542 5.092 4.550 -0.000 0.000 0.332 326 Y C 0.311 175.740 175.900 -0.786 0.000 0.960 326 Y CA -0.859 56.914 58.100 -0.544 0.000 1.228 326 Y CB 0.986 39.259 38.460 -0.312 0.000 1.120 326 Y HN 0.809 nan 8.280 nan 0.000 0.491 327 A N 4.878 127.518 122.820 -0.299 0.000 2.440 327 A HA 0.438 4.758 4.320 -0.000 0.000 0.251 327 A C 0.080 177.644 177.584 -0.032 0.000 1.089 327 A CA -0.526 51.471 52.037 -0.065 0.000 0.779 327 A CB 0.336 19.503 19.000 0.279 0.000 1.022 327 A HN 0.800 nan 8.150 nan 0.000 0.492 328 R N 1.980 122.451 120.500 -0.048 0.000 2.346 328 R HA 0.143 4.483 4.340 -0.000 0.000 0.311 328 R C -0.916 175.356 176.300 -0.047 0.000 0.983 328 R CA -0.537 55.535 56.100 -0.047 0.000 0.880 328 R CB 0.783 31.037 30.300 -0.077 0.000 1.100 328 R HN 0.923 nan 8.270 nan 0.000 0.453 329 D N 4.640 125.019 120.400 -0.034 0.000 2.383 329 D HA -0.015 4.625 4.640 -0.000 0.000 0.252 329 D C 1.228 177.450 176.300 -0.129 0.000 1.166 329 D CA 0.029 54.000 54.000 -0.048 0.000 0.879 329 D CB 1.051 41.861 40.800 0.017 0.000 1.164 329 D HN 0.560 nan 8.370 nan 0.000 0.462 330 L N 2.950 123.982 121.223 -0.319 0.000 2.362 330 L HA -0.129 4.211 4.340 -0.000 0.000 0.219 330 L C 2.063 178.808 176.870 -0.207 0.000 1.134 330 L CA 0.809 55.340 54.840 -0.514 0.000 0.807 330 L CB -0.139 41.091 42.059 -1.383 0.000 0.927 330 L HN 0.444 nan 8.230 nan 0.000 0.447 331 T N -2.265 112.321 114.554 0.053 0.000 3.044 331 T HA -0.079 4.271 4.350 -0.000 0.000 0.237 331 T C 1.900 176.654 174.700 0.089 0.000 1.001 331 T CA 1.323 63.537 62.100 0.190 0.000 1.160 331 T CB -0.042 69.025 68.868 0.331 0.000 0.889 331 T HN 0.404 nan 8.240 nan 0.000 0.442 332 T N -0.058 114.537 114.554 0.069 0.000 3.023 332 T HA 0.087 4.437 4.350 -0.000 0.000 0.266 332 T C 1.109 175.817 174.700 0.014 0.000 1.093 332 T CA 0.639 62.765 62.100 0.043 0.000 1.129 332 T CB -0.186 68.709 68.868 0.045 0.000 0.899 332 T HN 0.247 nan 8.240 nan 0.000 0.491 333 K N -0.171 120.226 120.400 -0.006 0.000 3.553 333 K HA -0.125 4.195 4.320 -0.000 0.000 0.303 333 K C 0.589 177.175 176.600 -0.023 0.000 1.327 333 K CA 0.838 57.109 56.287 -0.027 0.000 0.983 333 K CB -2.523 29.964 32.500 -0.022 0.000 1.275 333 K HN 0.772 nan 8.250 nan 0.000 0.453 334 A N 1.881 124.697 122.820 -0.007 0.000 2.498 334 A HA 0.293 4.613 4.320 -0.000 0.000 0.239 334 A C 0.462 178.043 177.584 -0.005 0.000 1.068 334 A CA 0.280 52.316 52.037 -0.002 0.000 0.766 334 A CB 0.181 19.190 19.000 0.016 0.000 1.003 334 A HN 0.314 nan 8.150 nan 0.000 0.497 335 R N 1.135 121.630 120.500 -0.008 0.000 2.536 335 R HA 0.563 4.903 4.340 -0.000 0.000 0.279 335 R C 0.414 176.750 176.300 0.060 0.000 1.001 335 R CA 0.115 56.215 56.100 0.001 0.000 1.027 335 R CB 1.090 31.361 30.300 -0.049 0.000 1.096 335 R HN 0.949 nan 8.270 nan 0.000 0.502 336 A N 0.886 123.781 122.820 0.126 0.000 2.425 336 A HA 0.083 4.403 4.320 -0.000 0.000 0.242 336 A C 1.077 178.794 177.584 0.222 0.000 1.077 336 A CA 0.248 52.376 52.037 0.152 0.000 0.781 336 A CB 0.275 19.344 19.000 0.115 0.000 1.020 336 A HN 0.957 nan 8.150 nan 0.000 0.494 337 T N -0.601 114.041 114.554 0.146 0.000 2.937 337 T HA 0.388 4.738 4.350 -0.000 0.000 0.260 337 T C 0.798 175.608 174.700 0.183 0.000 1.051 337 T CA 0.891 63.078 62.100 0.145 0.000 1.141 337 T CB -0.250 68.668 68.868 0.083 0.000 0.879 337 T HN 1.298 nan 8.240 nan 0.000 0.459 338 A N 2.247 125.121 122.820 0.090 0.000 2.330 338 A HA 0.809 5.129 4.320 -0.000 0.000 0.329 338 A C -2.868 174.550 177.584 -0.277 0.000 1.135 338 A CA -2.130 49.903 52.037 -0.007 0.000 0.817 338 A CB 1.016 20.016 19.000 0.001 0.000 1.269 338 A HN 0.227 nan 8.150 nan 0.000 0.469 339 P HA 0.573 nan 4.420 nan 0.000 0.281 339 P C -0.359 176.828 177.300 -0.189 0.000 1.264 339 P CA -0.176 62.555 63.100 -0.615 0.000 0.824 339 P CB 1.409 32.781 31.700 -0.546 0.000 1.092 340 T N -3.567 110.948 114.554 -0.066 0.000 2.887 340 T HA 0.487 4.837 4.350 -0.000 0.000 0.292 340 T C -0.565 174.181 174.700 0.076 0.000 1.087 340 T CA -0.666 61.460 62.100 0.044 0.000 1.009 340 T CB 0.515 69.438 68.868 0.091 0.000 1.203 340 T HN 0.136 nan 8.240 nan 0.000 0.518 341 T N 2.306 116.917 114.554 0.096 0.000 2.723 341 T HA 0.449 4.799 4.350 -0.000 0.000 0.297 341 T C -0.030 174.658 174.700 -0.019 0.000 0.925 341 T CA -0.365 61.777 62.100 0.069 0.000 1.030 341 T CB 0.073 69.036 68.868 0.158 0.000 0.905 341 T HN 0.527 nan 8.240 nan 0.000 0.502 342 R N 3.547 123.965 120.500 -0.137 0.000 2.207 342 R HA 0.347 4.687 4.340 -0.000 0.000 0.334 342 R C -0.558 175.499 176.300 -0.405 0.000 1.013 342 R CA -0.570 55.319 56.100 -0.351 0.000 0.858 342 R CB 0.025 29.844 30.300 -0.801 0.000 1.094 342 R HN 0.372 nan 8.270 nan 0.000 0.457 343 N N 3.517 121.899 118.700 -0.529 0.000 2.479 343 N HA 0.395 5.135 4.740 -0.000 0.000 0.285 343 N C -1.256 173.974 175.510 -0.466 0.000 1.075 343 N CA -0.258 52.383 53.050 -0.681 0.000 0.967 343 N CB 1.095 38.810 38.487 -1.287 0.000 1.137 343 N HN 0.333 nan 8.380 nan 0.000 0.472 344 L N 2.174 123.180 121.223 -0.363 0.000 2.441 344 L HA 0.468 4.808 4.340 -0.000 0.000 0.270 344 L C -1.166 175.740 176.870 0.060 0.000 0.973 344 L CA -0.550 54.272 54.840 -0.030 0.000 0.842 344 L CB 1.653 43.714 42.059 0.003 0.000 1.239 344 L HN 0.305 nan 8.230 nan 0.000 0.406 345 L N 2.573 123.986 121.223 0.316 0.000 2.325 345 L HA 0.687 5.027 4.340 -0.000 0.000 0.281 345 L C -0.277 176.640 176.870 0.079 0.000 1.004 345 L CA 0.252 55.237 54.840 0.241 0.000 0.823 345 L CB 1.958 44.245 42.059 0.379 0.000 1.236 345 L HN 0.536 nan 8.230 nan 0.000 0.415 346 T N 3.705 118.237 114.554 -0.038 0.000 2.762 346 T HA 0.401 4.751 4.350 -0.000 0.000 0.303 346 T C 0.395 174.936 174.700 -0.264 0.000 0.977 346 T CA -0.198 61.851 62.100 -0.086 0.000 0.961 346 T CB 0.281 69.145 68.868 -0.007 0.000 0.944 346 T HN 0.817 nan 8.240 nan 0.000 0.481 347 T N 1.613 115.892 114.554 -0.458 0.000 2.770 347 T HA 0.324 4.673 4.350 -0.000 0.000 0.281 347 T C -1.810 172.731 174.700 -0.264 0.000 0.981 347 T CA -1.796 59.997 62.100 -0.511 0.000 0.955 347 T CB 0.441 68.773 68.868 -0.893 0.000 1.060 347 T HN 0.081 nan 8.240 nan 0.000 0.531 348 P HA 0.144 nan 4.420 nan 0.000 0.233 348 P C 1.014 178.323 177.300 0.014 0.000 1.167 348 P CA 0.668 63.772 63.100 0.007 0.000 0.770 348 P CB 0.165 31.903 31.700 0.063 0.000 0.837 349 K N -1.428 118.913 120.400 -0.098 0.000 2.412 349 K HA 0.249 4.569 4.320 -0.000 0.000 0.202 349 K C 0.225 176.898 176.600 0.121 0.000 1.102 349 K CA 0.254 56.554 56.287 0.021 0.000 1.027 349 K CB 0.791 33.365 32.500 0.123 0.000 0.931 349 K HN 0.241 nan 8.250 nan 0.000 0.557 350 F N -2.424 117.531 119.950 0.008 0.000 2.799 350 F HA 0.321 4.848 4.527 -0.000 0.000 0.316 350 F C -1.188 174.681 175.800 0.114 0.000 1.155 350 F CA -1.151 56.892 58.000 0.072 0.000 0.916 350 F CB 0.668 39.670 39.000 0.003 0.000 1.294 350 F HN -0.382 nan 8.300 nan 0.000 0.447 351 T N 2.051 116.867 114.554 0.436 0.000 2.795 351 T HA 0.606 4.956 4.350 -0.000 0.000 0.282 351 T C -1.285 173.791 174.700 0.626 0.000 0.980 351 T CA -0.663 61.671 62.100 0.391 0.000 1.012 351 T CB 1.603 70.662 68.868 0.318 0.000 0.936 351 T HN 0.798 nan 8.240 nan 0.000 0.457 352 V N 3.015 123.271 119.914 0.571 0.000 2.407 352 V HA 0.813 4.933 4.120 -0.000 0.000 0.291 352 V C -0.557 175.952 176.094 0.692 0.000 1.018 352 V CA -0.575 62.096 62.300 0.618 0.000 0.842 352 V CB 0.869 33.076 31.823 0.641 0.000 0.996 352 V HN 1.083 nan 8.190 nan 0.000 0.426 353 A N 6.753 129.959 122.820 0.643 0.000 2.340 353 A HA 1.029 5.349 4.320 -0.000 0.000 0.331 353 A C -1.091 176.888 177.584 0.658 0.000 1.140 353 A CA -0.494 51.875 52.037 0.553 0.000 0.801 353 A CB 1.129 20.346 19.000 0.362 0.000 1.234 353 A HN 1.714 nan 8.150 nan 0.000 0.469 354 W N 0.556 121.944 121.300 0.148 0.000 3.153 354 W HA 0.572 5.232 4.660 -0.000 0.000 0.316 354 W C -1.857 174.729 176.519 0.111 0.000 1.255 354 W CA -0.821 56.613 57.345 0.148 0.000 1.192 354 W CB 0.595 30.198 29.460 0.239 0.000 1.400 354 W HN 0.483 nan 8.180 nan 0.000 0.568 355 D N 1.998 122.503 120.400 0.175 0.000 2.383 355 D HA 0.041 4.681 4.640 -0.000 0.000 0.252 355 D C -0.753 175.576 176.300 0.049 0.000 1.166 355 D CA 0.460 54.499 54.000 0.066 0.000 0.879 355 D CB 0.563 41.432 40.800 0.116 0.000 1.164 355 D HN 0.515 nan 8.370 nan 0.000 0.462 356 W N 4.300 125.490 121.300 -0.183 0.000 2.266 356 W HA 0.354 5.014 4.660 -0.000 0.000 0.317 356 W C -0.582 175.946 176.519 0.015 0.000 1.310 356 W CA -0.486 56.789 57.345 -0.117 0.000 1.207 356 W CB 0.509 29.879 29.460 -0.150 0.000 1.199 356 W HN 0.158 nan 8.180 nan 0.000 0.544 357 V N 6.123 125.503 119.914 -0.890 0.000 2.760 357 V HA 0.647 4.767 4.120 -0.000 0.000 0.309 357 V C -2.427 172.882 176.094 -1.308 0.000 1.077 357 V CA -2.873 58.831 62.300 -0.992 0.000 0.910 357 V CB 1.670 33.289 31.823 -0.340 0.000 1.008 357 V HN 0.549 nan 8.190 nan 0.000 0.424 358 P HA 0.123 nan 4.420 nan 0.000 0.269 358 P C 0.454 177.417 177.300 -0.562 0.000 1.209 358 P CA -0.023 62.655 63.100 -0.705 0.000 0.776 358 P CB 1.214 32.719 31.700 -0.324 0.000 0.876 359 K N 3.238 123.254 120.400 -0.640 0.000 1.987 359 K HA -0.204 4.116 4.320 -0.000 0.000 0.216 359 K C 2.094 178.214 176.600 -0.801 0.000 1.051 359 K CA 1.620 57.142 56.287 -1.276 0.000 0.942 359 K CB -0.139 31.808 32.500 -0.922 0.000 0.722 359 K HN 0.277 nan 8.250 nan 0.000 0.444 360 R N -0.285 119.953 120.500 -0.437 0.000 2.091 360 R HA -0.106 4.234 4.340 -0.000 0.000 0.238 360 R C -0.796 175.355 176.300 -0.247 0.000 1.136 360 R CA 1.507 57.434 56.100 -0.289 0.000 0.959 360 R CB -1.072 29.127 30.300 -0.168 0.000 0.856 360 R HN 0.361 nan 8.270 nan 0.000 0.437 361 P HA 0.086 nan 4.420 nan 0.000 0.245 361 P C 0.325 177.528 177.300 -0.163 0.000 1.212 361 P CA 0.988 63.992 63.100 -0.161 0.000 0.774 361 P CB 0.499 32.117 31.700 -0.138 0.000 0.999 362 S N -1.528 114.007 115.700 -0.276 0.000 2.554 362 S HA 0.153 4.623 4.470 -0.000 0.000 0.227 362 S C 0.606 175.064 174.600 -0.236 0.000 1.050 362 S CA -0.150 57.919 58.200 -0.218 0.000 0.927 362 S CB 0.382 63.402 63.200 -0.300 0.000 0.859 362 S HN 0.019 nan 8.310 nan 0.000 0.494 363 V N -0.910 118.781 119.914 -0.372 0.000 2.709 363 V HA 0.809 4.929 4.120 -0.000 0.000 0.308 363 V C -0.863 175.165 176.094 -0.110 0.000 1.062 363 V CA -1.112 61.014 62.300 -0.291 0.000 0.901 363 V CB 1.107 32.536 31.823 -0.656 0.000 1.003 363 V HN 0.164 nan 8.190 nan 0.000 0.425 364 c N 3.973 122.583 118.600 0.016 0.000 2.547 364 c HA 0.678 5.248 4.570 -0.000 0.000 0.313 364 c C 1.723 175.877 174.090 0.107 0.000 1.191 364 c CA 0.562 56.920 56.329 0.047 0.000 1.474 364 c CB 1.686 44.220 42.510 0.040 0.000 2.081 364 c HN 1.221 nan 8.230 nan 0.000 0.476 365 T N 1.899 116.503 114.554 0.082 0.000 3.072 365 T HA 0.126 4.476 4.350 -0.000 0.000 0.266 365 T C 0.653 175.361 174.700 0.014 0.000 1.127 365 T CA 0.717 62.839 62.100 0.036 0.000 1.107 365 T CB -0.112 68.727 68.868 -0.050 0.000 0.910 365 T HN 0.562 nan 8.240 nan 0.000 0.513 366 M N 1.529 121.152 119.600 0.039 0.000 2.664 366 M HA 0.521 5.001 4.480 -0.000 0.000 0.314 366 M C -0.685 175.720 176.300 0.174 0.000 1.200 366 M CA -0.449 54.901 55.300 0.084 0.000 0.916 366 M CB 1.891 34.520 32.600 0.048 0.000 1.717 366 M HN -0.063 nan 8.290 nan 0.000 0.470 367 T N 0.929 115.627 114.554 0.240 0.000 2.861 367 T HA 0.368 4.718 4.350 -0.000 0.000 0.287 367 T C -0.462 174.422 174.700 0.307 0.000 1.003 367 T CA -0.807 61.440 62.100 0.245 0.000 0.977 367 T CB 2.338 71.301 68.868 0.158 0.000 0.996 367 T HN 0.529 nan 8.240 nan 0.000 0.448 368 K N 1.260 121.787 120.400 0.211 0.000 2.322 368 K HA 0.178 4.498 4.320 -0.000 0.000 0.283 368 K C -0.166 176.463 176.600 0.048 0.000 1.042 368 K CA -0.292 55.924 56.287 -0.117 0.000 0.958 368 K CB 0.512 32.910 32.500 -0.170 0.000 0.984 368 K HN 0.715 nan 8.250 nan 0.000 0.473 369 W N 3.194 124.369 121.300 -0.209 0.000 2.952 369 W HA 0.200 4.860 4.660 -0.000 0.000 0.251 369 W C -0.528 175.939 176.519 -0.086 0.000 1.144 369 W CA 0.465 57.766 57.345 -0.073 0.000 1.551 369 W CB 0.937 30.414 29.460 0.029 0.000 0.978 369 W HN 0.432 nan 8.180 nan 0.000 0.648 370 Q N 1.265 120.882 119.800 -0.304 0.000 2.309 370 Q HA 0.240 4.580 4.340 -0.000 0.000 0.273 370 Q C -1.479 174.355 176.000 -0.276 0.000 1.040 370 Q CA -0.450 55.090 55.803 -0.439 0.000 0.834 370 Q CB 2.238 30.564 28.738 -0.688 0.000 1.345 370 Q HN 0.159 nan 8.270 nan 0.000 0.414 371 E N 0.995 121.068 120.200 -0.211 0.000 2.175 371 E HA 0.552 4.902 4.350 -0.000 0.000 0.278 371 E C -0.795 175.742 176.600 -0.104 0.000 0.969 371 E CA -0.689 55.632 56.400 -0.132 0.000 0.796 371 E CB 2.073 31.720 29.700 -0.088 0.000 1.104 371 E HN 0.121 nan 8.360 nan 0.000 0.395 372 V N 3.723 123.607 119.914 -0.051 0.000 2.409 372 V HA 0.028 4.149 4.120 -0.000 0.000 0.290 372 V C 0.103 176.224 176.094 0.046 0.000 1.017 372 V CA -0.566 61.726 62.300 -0.014 0.000 0.841 372 V CB 1.378 33.208 31.823 0.012 0.000 1.003 372 V HN 0.676 nan 8.190 nan 0.000 0.426 373 D N 2.716 123.144 120.400 0.047 0.000 2.123 373 D HA -0.110 4.530 4.640 -0.000 0.000 0.196 373 D C 0.945 177.367 176.300 0.203 0.000 0.992 373 D CA 1.541 55.611 54.000 0.116 0.000 0.833 373 D CB 0.359 41.184 40.800 0.041 0.000 0.954 373 D HN 0.669 nan 8.370 nan 0.000 0.455 374 E N -0.382 119.904 120.200 0.143 0.000 2.402 374 E HA 0.319 4.669 4.350 -0.000 0.000 0.244 374 E C -1.527 175.163 176.600 0.151 0.000 0.945 374 E CA -0.432 56.065 56.400 0.160 0.000 0.774 374 E CB 0.730 30.513 29.700 0.139 0.000 1.296 374 E HN -0.179 nan 8.360 nan 0.000 0.414 375 M N 5.826 125.563 119.600 0.229 0.000 2.043 375 M HA 0.432 4.912 4.480 -0.000 0.000 0.322 375 M C -1.846 174.641 176.300 0.312 0.000 0.962 375 M CA -0.453 55.025 55.300 0.297 0.000 0.927 375 M CB 0.632 33.479 32.600 0.412 0.000 1.466 375 M HN 0.517 nan 8.290 nan 0.000 0.412 376 L N 4.205 125.522 121.223 0.156 0.000 2.397 376 L HA 0.508 4.848 4.340 -0.000 0.000 0.271 376 L C 0.408 177.271 176.870 -0.011 0.000 1.148 376 L CA -0.367 54.524 54.840 0.084 0.000 0.825 376 L CB 0.582 42.581 42.059 -0.100 0.000 1.117 376 L HN 0.612 nan 8.230 nan 0.000 0.456 377 R N 1.955 122.410 120.500 -0.074 0.000 2.621 377 R HA 0.575 4.915 4.340 -0.000 0.000 0.292 377 R C -1.418 174.770 176.300 -0.186 0.000 0.969 377 R CA -0.356 55.463 56.100 -0.468 0.000 0.887 377 R CB 2.150 31.911 30.300 -0.899 0.000 1.180 377 R HN 0.767 nan 8.270 nan 0.000 0.450 378 S N 2.083 117.667 115.700 -0.193 0.000 2.706 378 S HA 0.255 4.725 4.470 -0.000 0.000 0.270 378 S C -0.820 173.839 174.600 0.099 0.000 1.163 378 S CA -1.045 57.112 58.200 -0.073 0.000 1.042 378 S CB 1.172 64.255 63.200 -0.195 0.000 1.079 378 S HN 0.584 nan 8.310 nan 0.000 0.474 379 E N 2.382 122.715 120.200 0.221 0.000 2.437 379 E HA 0.247 4.597 4.350 -0.000 0.000 0.263 379 E C -0.684 176.046 176.600 0.218 0.000 1.030 379 E CA -0.097 56.467 56.400 0.274 0.000 0.934 379 E CB 0.213 30.024 29.700 0.185 0.000 0.943 379 E HN 0.870 nan 8.360 nan 0.000 0.444 380 Y N -1.876 118.398 120.300 -0.045 0.000 2.237 380 Y HA 0.365 4.915 4.550 -0.000 0.000 0.316 380 Y C 0.038 175.909 175.900 -0.049 0.000 1.236 380 Y CA -0.372 57.703 58.100 -0.042 0.000 1.257 380 Y CB 0.366 38.813 38.460 -0.022 0.000 1.272 380 Y HN 0.689 nan 8.280 nan 0.000 0.394 381 G N 2.591 111.203 108.800 -0.313 0.000 2.366 381 G HA2 0.153 4.113 3.960 -0.000 0.000 0.299 381 G HA3 0.153 4.113 3.960 -0.000 0.000 0.299 381 G C 1.155 175.813 174.900 -0.404 0.000 1.020 381 G CA 1.212 46.094 45.100 -0.363 0.000 1.026 381 G HN 2.577 nan 8.290 nan 0.000 0.512 382 G N -2.397 106.215 108.800 -0.315 0.000 2.217 382 G HA2 0.011 3.971 3.960 -0.000 0.000 0.246 382 G HA3 0.011 3.971 3.960 -0.000 0.000 0.246 382 G C 0.355 175.095 174.900 -0.267 0.000 0.990 382 G CA 0.616 45.566 45.100 -0.250 0.000 0.627 382 G HN 1.834 nan 8.290 nan 0.000 0.522 383 S N -0.177 115.311 115.700 -0.353 0.000 2.548 383 S HA 0.810 5.280 4.470 -0.000 0.000 0.286 383 S C -0.645 173.921 174.600 -0.055 0.000 1.098 383 S CA -0.714 57.378 58.200 -0.180 0.000 0.930 383 S CB 1.724 64.887 63.200 -0.062 0.000 1.070 383 S HN 0.284 nan 8.310 nan 0.000 0.480 384 F N 1.829 121.836 119.950 0.094 0.000 2.368 384 F HA 0.579 5.106 4.527 -0.000 0.000 0.308 384 F C 1.022 176.885 175.800 0.106 0.000 1.198 384 F CA -0.720 57.273 58.000 -0.012 0.000 1.130 384 F CB 0.607 39.433 39.000 -0.290 0.000 1.300 384 F HN 0.306 nan 8.300 nan 0.000 0.537 385 R N 0.521 121.083 120.500 0.104 0.000 2.564 385 R HA 0.460 4.800 4.340 -0.000 0.000 0.284 385 R C -1.975 174.217 176.300 -0.179 0.000 1.031 385 R CA -0.657 55.490 56.100 0.078 0.000 0.904 385 R CB 1.571 31.845 30.300 -0.043 0.000 1.199 385 R HN 0.355 nan 8.270 nan 0.000 0.443 386 F N 1.083 121.103 119.950 0.117 0.000 2.482 386 F HA 0.487 5.014 4.527 -0.000 0.000 0.331 386 F C 0.165 176.084 175.800 0.198 0.000 1.115 386 F CA -0.512 57.536 58.000 0.080 0.000 0.955 386 F CB 2.299 41.319 39.000 0.033 0.000 1.136 386 F HN 0.371 nan 8.300 nan 0.000 0.452 387 S N 0.606 116.488 115.700 0.304 0.000 2.541 387 S HA 0.715 5.185 4.470 -0.000 0.000 0.280 387 S C -0.934 173.816 174.600 0.251 0.000 1.112 387 S CA -0.908 57.472 58.200 0.301 0.000 0.925 387 S CB 1.804 65.194 63.200 0.316 0.000 1.067 387 S HN 0.528 nan 8.310 nan 0.000 0.479 388 S N 0.159 115.960 115.700 0.168 0.000 2.502 388 S HA 0.402 4.872 4.470 -0.000 0.000 0.304 388 S C 0.000 174.531 174.600 -0.115 0.000 1.097 388 S CA -0.564 57.665 58.200 0.049 0.000 1.045 388 S CB 1.523 64.721 63.200 -0.003 0.000 1.019 388 S HN 0.823 nan 8.310 nan 0.000 0.481 389 D N 3.867 124.260 120.400 -0.013 0.000 2.323 389 D HA 0.210 4.850 4.640 -0.000 0.000 0.209 389 D C 1.836 178.012 176.300 -0.207 0.000 0.973 389 D CA 1.033 54.986 54.000 -0.080 0.000 0.874 389 D CB 0.099 40.971 40.800 0.120 0.000 0.930 389 D HN 0.611 nan 8.370 nan 0.000 0.521 390 A N 0.503 123.232 122.820 -0.152 0.000 1.902 390 A HA -0.076 4.244 4.320 -0.000 0.000 0.217 390 A C 2.137 179.586 177.584 -0.226 0.000 1.181 390 A CA 1.489 53.435 52.037 -0.152 0.000 0.623 390 A CB -0.686 18.249 19.000 -0.109 0.000 0.818 390 A HN 0.522 nan 8.150 nan 0.000 0.443 391 I N -5.830 114.565 120.570 -0.291 0.000 4.057 391 I HA 0.276 4.446 4.170 -0.000 0.000 0.334 391 I C 0.452 176.272 176.117 -0.496 0.000 1.308 391 I CA 0.558 61.658 61.300 -0.332 0.000 1.125 391 I CB 0.328 38.155 38.000 -0.289 0.000 1.034 391 I HN 0.029 nan 8.210 nan 0.000 0.401 392 S N 1.016 116.214 115.700 -0.837 0.000 3.698 392 S HA -0.147 4.323 4.470 -0.000 0.000 0.338 392 S C 0.241 174.171 174.600 -1.116 0.000 1.089 392 S CA 1.078 58.359 58.200 -1.531 0.000 0.991 392 S CB -2.258 60.436 63.200 -0.842 0.000 0.909 392 S HN 0.763 nan 8.310 nan 0.000 0.485 393 T N 1.687 115.770 114.554 -0.784 0.000 2.863 393 T HA 0.602 4.952 4.350 -0.000 0.000 0.285 393 T C -0.111 174.354 174.700 -0.392 0.000 1.009 393 T CA -0.463 61.298 62.100 -0.565 0.000 0.989 393 T CB 2.046 70.531 68.868 -0.639 0.000 1.004 393 T HN 0.088 nan 8.240 nan 0.000 0.455 394 T N 3.268 117.575 114.554 -0.412 0.000 2.847 394 T HA 0.607 4.957 4.350 -0.000 0.000 0.291 394 T C -0.913 173.602 174.700 -0.307 0.000 0.998 394 T CA -0.440 61.560 62.100 -0.167 0.000 0.967 394 T CB 0.187 69.098 68.868 0.071 0.000 0.954 394 T HN 0.327 nan 8.240 nan 0.000 0.441 395 F N 1.160 121.189 119.950 0.132 0.000 2.497 395 F HA 0.704 5.231 4.527 -0.000 0.000 0.331 395 F C 0.974 176.958 175.800 0.305 0.000 1.060 395 F CA -0.894 57.213 58.000 0.178 0.000 0.989 395 F CB 1.575 40.650 39.000 0.125 0.000 1.245 395 F HN 0.255 nan 8.300 nan 0.000 0.486 396 T N 0.302 115.172 114.554 0.528 0.000 2.937 396 T HA 0.531 4.881 4.350 -0.000 0.000 0.297 396 T C -0.340 174.608 174.700 0.413 0.000 0.991 396 T CA -0.818 61.556 62.100 0.457 0.000 0.990 396 T CB 1.405 70.501 68.868 0.381 0.000 0.991 396 T HN 0.837 nan 8.240 nan 0.000 0.440 397 T N 0.977 115.790 114.554 0.431 0.000 2.773 397 T HA 0.624 4.974 4.350 -0.000 0.000 0.278 397 T C -0.278 174.594 174.700 0.287 0.000 1.011 397 T CA -0.924 61.399 62.100 0.372 0.000 1.014 397 T CB 1.229 70.372 68.868 0.458 0.000 1.293 397 T HN 0.268 nan 8.240 nan 0.000 0.554 398 N N -0.010 118.855 118.700 0.274 0.000 2.413 398 N HA 0.374 5.114 4.740 -0.000 0.000 0.266 398 N C 1.002 176.590 175.510 0.131 0.000 1.238 398 N CA -0.661 52.483 53.050 0.156 0.000 0.972 398 N CB 0.646 39.225 38.487 0.153 0.000 1.210 398 N HN 0.578 nan 8.380 nan 0.000 0.547 399 L N -0.150 121.027 121.223 -0.077 0.000 2.552 399 L HA 0.013 4.353 4.340 -0.000 0.000 0.227 399 L C 0.721 177.686 176.870 0.159 0.000 1.146 399 L CA 0.561 55.229 54.840 -0.287 0.000 0.858 399 L CB -0.476 41.366 42.059 -0.362 0.000 0.969 399 L HN 0.545 nan 8.230 nan 0.000 0.451 400 T N -3.903 110.809 114.554 0.262 0.000 2.885 400 T HA 0.356 4.706 4.350 -0.000 0.000 0.285 400 T C -0.201 174.659 174.700 0.267 0.000 1.019 400 T CA -0.824 61.426 62.100 0.251 0.000 1.010 400 T CB 2.324 71.269 68.868 0.129 0.000 1.022 400 T HN -0.039 nan 8.240 nan 0.000 0.466 401 E N 0.586 120.819 120.200 0.054 0.000 2.408 401 E HA 0.129 4.479 4.350 -0.000 0.000 0.259 401 E C -1.281 175.320 176.600 0.001 0.000 1.110 401 E CA -0.404 55.853 56.400 -0.238 0.000 0.929 401 E CB 0.469 30.016 29.700 -0.254 0.000 0.971 401 E HN 0.684 nan 8.360 nan 0.000 0.438 402 Y N 3.741 123.980 120.300 -0.101 0.000 2.353 402 Y HA 0.291 4.841 4.550 -0.000 0.000 0.340 402 Y C -2.220 173.666 175.900 -0.023 0.000 0.972 402 Y CA -2.769 55.324 58.100 -0.012 0.000 1.157 402 Y CB 1.067 39.547 38.460 0.034 0.000 1.157 402 Y HN 0.319 nan 8.280 nan 0.000 0.495 403 P HA -0.033 nan 4.420 nan 0.000 0.264 403 P C 0.399 177.480 177.300 -0.365 0.000 1.236 403 P CA 0.177 63.075 63.100 -0.336 0.000 0.811 403 P CB 0.683 32.181 31.700 -0.338 0.000 0.840 404 L N 3.831 124.919 121.223 -0.225 0.000 2.353 404 L HA -0.182 4.158 4.340 -0.000 0.000 0.220 404 L C 2.177 178.928 176.870 -0.198 0.000 1.133 404 L CA 1.896 56.582 54.840 -0.256 0.000 0.798 404 L CB -1.111 40.654 42.059 -0.490 0.000 0.922 404 L HN 0.334 nan 8.230 nan 0.000 0.445 405 S N -0.802 114.789 115.700 -0.182 0.000 2.383 405 S HA -0.179 4.291 4.470 -0.000 0.000 0.227 405 S C 2.290 176.816 174.600 -0.123 0.000 1.026 405 S CA 0.883 59.002 58.200 -0.134 0.000 0.981 405 S CB -0.644 62.487 63.200 -0.114 0.000 0.818 405 S HN 0.428 nan 8.310 nan 0.000 0.472 406 R N 0.960 121.354 120.500 -0.178 0.000 2.377 406 R HA 0.359 4.699 4.340 -0.000 0.000 0.207 406 R C 0.887 177.159 176.300 -0.047 0.000 1.075 406 R CA 1.082 57.097 56.100 -0.142 0.000 1.035 406 R CB -1.619 28.524 30.300 -0.262 0.000 0.857 406 R HN 0.445 nan 8.270 nan 0.000 0.475 407 V N 2.192 122.084 119.914 -0.036 0.000 2.461 407 V HA 0.127 4.247 4.120 -0.000 0.000 0.275 407 V C -0.227 175.864 176.094 -0.005 0.000 1.047 407 V CA -0.962 61.339 62.300 0.002 0.000 0.955 407 V CB 1.534 33.343 31.823 -0.024 0.000 0.988 407 V HN 0.498 nan 8.190 nan 0.000 0.471 408 D N 5.248 125.663 120.400 0.026 0.000 2.371 408 D HA 0.125 4.765 4.640 -0.000 0.000 0.256 408 D C 0.682 177.030 176.300 0.080 0.000 1.193 408 D CA 0.030 54.071 54.000 0.068 0.000 0.881 408 D CB 0.478 41.356 40.800 0.131 0.000 1.143 408 D HN 0.571 nan 8.370 nan 0.000 0.473 409 L N 3.129 124.387 121.223 0.058 0.000 3.762 409 L HA -0.224 4.116 4.340 -0.000 0.000 0.460 409 L C 0.762 177.633 176.870 0.001 0.000 1.255 409 L CA 0.649 55.511 54.840 0.036 0.000 0.783 409 L CB -1.145 40.991 42.059 0.128 0.000 1.600 409 L HN 0.613 nan 8.230 nan 0.000 0.862 410 G N -0.850 107.925 108.800 -0.042 0.000 4.912 410 G HA2 0.378 4.338 3.960 -0.000 0.000 0.307 410 G HA3 0.378 4.338 3.960 -0.000 0.000 0.307 410 G C 0.402 175.232 174.900 -0.117 0.000 1.381 410 G CA -0.285 44.765 45.100 -0.083 0.000 1.057 410 G HN 0.313 nan 8.290 nan 0.000 0.593 411 D N 0.084 120.429 120.400 -0.092 0.000 2.360 411 D HA -0.031 4.609 4.640 -0.000 0.000 0.210 411 D C 2.490 178.746 176.300 -0.073 0.000 1.047 411 D CA 0.318 54.263 54.000 -0.092 0.000 0.854 411 D CB 0.360 41.113 40.800 -0.079 0.000 0.936 411 D HN 0.484 nan 8.370 nan 0.000 0.514 412 c N -0.558 118.007 118.600 -0.059 0.000 2.468 412 c HA 0.178 4.748 4.570 -0.000 0.000 0.277 412 c C 2.493 176.572 174.090 -0.018 0.000 1.400 412 c CA -0.326 55.998 56.329 -0.008 0.000 1.770 412 c CB -1.245 41.288 42.510 0.038 0.000 1.905 412 c HN 0.139 nan 8.230 nan 0.000 0.519 413 I N 2.395 122.865 120.570 -0.168 0.000 2.110 413 I HA 0.014 4.184 4.170 -0.000 0.000 0.236 413 I C 3.064 179.077 176.117 -0.173 0.000 1.068 413 I CA 1.905 62.965 61.300 -0.400 0.000 1.333 413 I CB -1.130 36.488 38.000 -0.637 0.000 1.054 413 I HN 0.445 nan 8.210 nan 0.000 0.402 414 G N 0.752 109.460 108.800 -0.153 0.000 2.442 414 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.219 414 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.219 414 G C 1.711 176.656 174.900 0.075 0.000 1.141 414 G CA 0.858 45.957 45.100 -0.002 0.000 0.763 414 G HN 0.302 nan 8.290 nan 0.000 0.554 415 K N 0.250 120.675 120.400 0.043 0.000 2.002 415 K HA -0.135 4.185 4.320 -0.000 0.000 0.209 415 K C 1.968 178.635 176.600 0.111 0.000 1.048 415 K CA 1.728 58.053 56.287 0.064 0.000 0.930 415 K CB -0.183 32.341 32.500 0.040 0.000 0.714 415 K HN 0.115 nan 8.250 nan 0.000 0.438 416 D N 0.323 120.820 120.400 0.163 0.000 2.149 416 D HA -0.061 4.579 4.640 -0.000 0.000 0.201 416 D C 1.766 178.213 176.300 0.245 0.000 0.972 416 D CA 1.051 55.178 54.000 0.210 0.000 0.835 416 D CB -0.235 40.739 40.800 0.290 0.000 0.966 416 D HN 0.349 nan 8.370 nan 0.000 0.476 417 A N 2.071 125.096 122.820 0.342 0.000 1.842 417 A HA -0.271 4.049 4.320 -0.000 0.000 0.217 417 A C 2.144 179.832 177.584 0.173 0.000 1.206 417 A CA 1.899 54.126 52.037 0.316 0.000 0.630 417 A CB -0.625 18.602 19.000 0.377 0.000 0.839 417 A HN 0.167 nan 8.150 nan 0.000 0.447 418 R N -0.457 120.129 120.500 0.142 0.000 2.096 418 R HA -0.208 4.132 4.340 -0.000 0.000 0.240 418 R C 1.961 178.311 176.300 0.084 0.000 1.139 418 R CA 1.681 57.836 56.100 0.091 0.000 0.952 418 R CB -0.960 29.386 30.300 0.077 0.000 0.854 418 R HN 0.691 nan 8.270 nan 0.000 0.436 419 D N 0.826 121.278 120.400 0.088 0.000 2.126 419 D HA -0.190 4.450 4.640 -0.000 0.000 0.190 419 D C 1.901 178.244 176.300 0.071 0.000 1.001 419 D CA 2.118 56.163 54.000 0.074 0.000 0.841 419 D CB -0.124 40.719 40.800 0.071 0.000 0.949 419 D HN 0.238 nan 8.370 nan 0.000 0.446 420 A N 0.046 122.911 122.820 0.075 0.000 1.845 420 A HA -0.164 4.156 4.320 -0.000 0.000 0.215 420 A C 2.509 180.135 177.584 0.071 0.000 1.195 420 A CA 2.095 54.167 52.037 0.059 0.000 0.616 420 A CB -0.816 18.211 19.000 0.044 0.000 0.832 420 A HN 0.365 nan 8.150 nan 0.000 0.443 421 M N -0.385 119.262 119.600 0.077 0.000 2.082 421 M HA -0.222 4.258 4.480 -0.000 0.000 0.258 421 M C 1.759 178.136 176.300 0.129 0.000 1.071 421 M CA 2.075 57.425 55.300 0.082 0.000 1.103 421 M CB -0.807 31.816 32.600 0.038 0.000 1.307 421 M HN 0.357 nan 8.290 nan 0.000 0.409 422 D N -0.222 120.242 120.400 0.107 0.000 2.133 422 D HA -0.195 4.445 4.640 -0.000 0.000 0.195 422 D C 1.884 178.271 176.300 0.146 0.000 0.997 422 D CA 1.397 55.480 54.000 0.138 0.000 0.840 422 D CB -0.564 40.293 40.800 0.095 0.000 0.947 422 D HN 0.428 nan 8.370 nan 0.000 0.452 423 R N 0.607 121.168 120.500 0.101 0.000 2.096 423 R HA -0.065 4.275 4.340 -0.000 0.000 0.235 423 R C 2.143 178.486 176.300 0.073 0.000 1.127 423 R CA 0.983 57.126 56.100 0.073 0.000 0.968 423 R CB -0.239 30.090 30.300 0.049 0.000 0.861 423 R HN 0.191 nan 8.270 nan 0.000 0.440 424 I N -0.112 120.521 120.570 0.105 0.000 2.296 424 I HA -0.124 4.046 4.170 -0.000 0.000 0.242 424 I C 2.156 178.376 176.117 0.172 0.000 1.087 424 I CA 0.606 61.970 61.300 0.107 0.000 1.393 424 I CB -0.366 37.711 38.000 0.127 0.000 1.093 424 I HN 0.098 nan 8.210 nan 0.000 0.421 425 F N 2.224 122.256 119.950 0.136 0.000 2.091 425 F HA -0.291 4.236 4.527 -0.000 0.000 0.299 425 F C 2.459 178.336 175.800 0.128 0.000 1.103 425 F CA 1.490 59.614 58.000 0.207 0.000 1.228 425 F CB -0.504 38.558 39.000 0.103 0.000 0.984 425 F HN 0.031 nan 8.300 nan 0.000 0.477 426 A N 1.115 123.994 122.820 0.098 0.000 1.852 426 A HA -0.326 3.994 4.320 -0.000 0.000 0.217 426 A C 2.404 179.908 177.584 -0.133 0.000 1.215 426 A CA 2.467 54.484 52.037 -0.034 0.000 0.641 426 A CB -1.331 17.707 19.000 0.063 0.000 0.838 426 A HN 0.539 nan 8.150 nan 0.000 0.450 427 R N -0.268 120.186 120.500 -0.076 0.000 2.154 427 R HA -0.211 4.129 4.340 -0.000 0.000 0.248 427 R C 2.170 178.360 176.300 -0.183 0.000 1.155 427 R CA 2.247 58.285 56.100 -0.104 0.000 0.979 427 R CB -0.168 30.088 30.300 -0.074 0.000 0.869 427 R HN 0.631 nan 8.270 nan 0.000 0.452 428 R N -2.323 118.014 120.500 -0.272 0.000 2.435 428 R HA 0.071 4.411 4.340 -0.000 0.000 0.221 428 R C 0.543 176.480 176.300 -0.605 0.000 0.885 428 R CA 0.123 55.946 56.100 -0.463 0.000 1.018 428 R CB 0.292 30.225 30.300 -0.612 0.000 1.259 428 R HN 0.266 nan 8.270 nan 0.000 0.597 429 Y N 0.693 120.763 120.300 -0.384 0.000 2.432 429 Y HA 0.173 4.723 4.550 -0.000 0.000 0.252 429 Y C 1.502 177.053 175.900 -0.581 0.000 1.097 429 Y CA -0.135 57.722 58.100 -0.404 0.000 1.250 429 Y CB 0.519 38.754 38.460 -0.375 0.000 1.245 429 Y HN 0.164 nan 8.280 nan 0.000 0.522 430 N N 1.378 119.631 118.700 -0.745 0.000 2.272 430 N HA -0.168 4.572 4.740 -0.000 0.000 0.185 430 N C 1.517 176.946 175.510 -0.136 0.000 1.014 430 N CA 1.624 54.307 53.050 -0.611 0.000 0.870 430 N CB -0.362 37.893 38.487 -0.386 0.000 0.975 430 N HN 0.316 nan 8.380 nan 0.000 0.433 431 A N 0.118 122.885 122.820 -0.089 0.000 1.887 431 A HA 0.073 4.393 4.320 -0.000 0.000 0.212 431 A C 2.188 179.769 177.584 -0.006 0.000 1.198 431 A CA 1.445 53.464 52.037 -0.029 0.000 0.628 431 A CB -0.711 18.265 19.000 -0.040 0.000 0.847 431 A HN 0.403 nan 8.150 nan 0.000 0.449 432 T N -0.626 113.943 114.554 0.026 0.000 3.054 432 T HA 0.186 4.536 4.350 -0.000 0.000 0.259 432 T C 0.271 174.803 174.700 -0.279 0.000 1.092 432 T CA 1.044 63.084 62.100 -0.100 0.000 1.121 432 T CB -0.197 68.637 68.868 -0.058 0.000 0.912 432 T HN 0.640 nan 8.240 nan 0.000 0.489 433 H N -1.101 118.037 119.070 0.113 0.000 2.941 433 H HA 0.745 5.301 4.556 -0.000 0.000 0.344 433 H C -1.034 174.470 175.328 0.293 0.000 1.235 433 H CA -1.146 55.011 56.048 0.183 0.000 1.149 433 H CB 0.932 30.836 29.762 0.236 0.000 1.885 433 H HN -0.061 nan 8.280 nan 0.000 0.558 434 I N -0.574 120.260 120.570 0.440 0.000 3.264 434 I HA 0.329 4.499 4.170 -0.000 0.000 0.315 434 I C -0.528 175.665 176.117 0.127 0.000 1.154 434 I CA -1.050 60.496 61.300 0.409 0.000 0.962 434 I CB 1.541 39.641 38.000 0.168 0.000 1.265 434 I HN 0.349 nan 8.210 nan 0.000 0.463 435 K N 0.802 121.072 120.400 -0.217 0.000 2.168 435 K HA 0.639 4.959 4.320 -0.000 0.000 0.258 435 K C -1.186 175.405 176.600 -0.015 0.000 1.010 435 K CA -0.590 55.531 56.287 -0.278 0.000 0.929 435 K CB 1.029 33.260 32.500 -0.450 0.000 0.998 435 K HN 0.252 nan 8.250 nan 0.000 0.479 436 V N 2.067 121.959 119.914 -0.037 0.000 2.340 436 V HA 0.433 4.553 4.120 -0.000 0.000 0.277 436 V C 0.198 176.195 176.094 -0.162 0.000 1.017 436 V CA -0.153 62.163 62.300 0.026 0.000 0.820 436 V CB 0.335 32.191 31.823 0.055 0.000 1.028 436 V HN 1.094 nan 8.190 nan 0.000 0.436 437 G N 4.796 113.451 108.800 -0.241 0.000 2.728 437 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.294 437 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.294 437 G C -0.757 174.058 174.900 -0.143 0.000 1.342 437 G CA -0.577 44.344 45.100 -0.298 0.000 0.866 437 G HN 0.616 nan 8.290 nan 0.000 0.534 438 Q N 0.466 120.200 119.800 -0.110 0.000 2.199 438 Q HA 0.631 4.971 4.340 -0.000 0.000 0.232 438 Q C -1.973 173.961 176.000 -0.110 0.000 0.969 438 Q CA -1.120 54.635 55.803 -0.079 0.000 0.925 438 Q CB 0.314 29.034 28.738 -0.030 0.000 1.198 438 Q HN 0.511 nan 8.270 nan 0.000 0.494 439 P HA -0.041 nan 4.420 nan 0.000 0.266 439 P C -1.082 176.007 177.300 -0.352 0.000 1.193 439 P CA 0.321 63.277 63.100 -0.239 0.000 0.770 439 P CB 0.499 32.066 31.700 -0.220 0.000 0.836 440 Q N 1.008 120.556 119.800 -0.421 0.000 2.378 440 Q HA 0.592 4.932 4.340 -0.000 0.000 0.276 440 Q C -1.146 174.422 176.000 -0.721 0.000 1.083 440 Q CA -0.627 54.938 55.803 -0.397 0.000 0.856 440 Q CB 1.688 30.396 28.738 -0.049 0.000 1.383 440 Q HN 0.396 nan 8.270 nan 0.000 0.458 441 Y N -0.069 120.133 120.300 -0.164 0.000 2.421 441 Y HA 0.502 5.052 4.550 -0.000 0.000 0.339 441 Y C -1.311 174.450 175.900 -0.231 0.000 0.996 441 Y CA -0.760 57.297 58.100 -0.071 0.000 1.046 441 Y CB 1.455 39.915 38.460 -0.001 0.000 1.226 441 Y HN 0.481 nan 8.280 nan 0.000 0.445 442 Y N 2.332 122.750 120.300 0.197 0.000 2.477 442 Y HA 0.527 5.077 4.550 -0.000 0.000 0.347 442 Y C -1.058 174.873 175.900 0.053 0.000 0.981 442 Y CA -1.148 57.052 58.100 0.167 0.000 1.033 442 Y CB 1.956 40.493 38.460 0.128 0.000 1.245 442 Y HN 0.495 nan 8.280 nan 0.000 0.455 443 L N 3.226 124.563 121.223 0.191 0.000 2.255 443 L HA 0.770 5.110 4.340 -0.000 0.000 0.289 443 L C -0.066 176.886 176.870 0.138 0.000 1.046 443 L CA -0.276 54.559 54.840 -0.008 0.000 0.816 443 L CB -0.011 41.897 42.059 -0.252 0.000 1.197 443 L HN 0.729 nan 8.230 nan 0.000 0.427 444 A N 4.319 127.239 122.820 0.167 0.000 2.322 444 A HA 0.432 4.752 4.320 -0.000 0.000 0.269 444 A C 0.020 177.786 177.584 0.304 0.000 1.094 444 A CA -0.672 51.540 52.037 0.291 0.000 0.807 444 A CB 0.128 19.353 19.000 0.374 0.000 1.047 444 A HN 0.759 nan 8.150 nan 0.000 0.487 445 N N 0.259 119.156 118.700 0.327 0.000 2.454 445 N HA 0.335 5.075 4.740 -0.000 0.000 0.260 445 N C 1.036 176.760 175.510 0.356 0.000 1.218 445 N CA 1.633 54.830 53.050 0.245 0.000 0.904 445 N CB 1.082 39.680 38.487 0.186 0.000 1.065 445 N HN 1.214 nan 8.380 nan 0.000 0.462 446 G N 0.487 109.367 108.800 0.135 0.000 2.211 446 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.201 446 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.201 446 G C 0.585 175.419 174.900 -0.109 0.000 0.997 446 G CA 0.162 45.342 45.100 0.133 0.000 0.652 446 G HN 1.200 nan 8.290 nan 0.000 0.500 447 G N -0.927 107.833 108.800 -0.065 0.000 2.142 447 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.225 447 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.225 447 G C 0.115 174.818 174.900 -0.328 0.000 1.015 447 G CA 0.312 45.279 45.100 -0.222 0.000 0.716 447 G HN 1.177 nan 8.290 nan 0.000 0.508 448 F N -0.964 119.019 119.950 0.055 0.000 2.397 448 F HA 0.747 5.274 4.527 -0.000 0.000 0.331 448 F C 0.425 176.213 175.800 -0.021 0.000 1.090 448 F CA -1.221 56.801 58.000 0.037 0.000 1.065 448 F CB 1.700 40.751 39.000 0.085 0.000 1.184 448 F HN 0.105 nan 8.300 nan 0.000 0.499 449 L N 4.461 125.807 121.223 0.204 0.000 2.349 449 L HA 0.601 4.941 4.340 -0.000 0.000 0.278 449 L C -1.159 175.854 176.870 0.237 0.000 0.996 449 L CA -0.378 54.547 54.840 0.141 0.000 0.825 449 L CB 0.952 43.062 42.059 0.085 0.000 1.243 449 L HN 0.457 nan 8.230 nan 0.000 0.412 450 I N 5.514 126.152 120.570 0.113 0.000 2.328 450 I HA 0.548 4.718 4.170 -0.000 0.000 0.287 450 I C 0.237 176.456 176.117 0.171 0.000 1.012 450 I CA -0.653 60.658 61.300 0.019 0.000 1.195 450 I CB 1.669 39.426 38.000 -0.405 0.000 1.350 450 I HN 0.798 nan 8.210 nan 0.000 0.464 451 A N 6.762 129.759 122.820 0.295 0.000 2.320 451 A HA 0.483 4.803 4.320 -0.000 0.000 0.287 451 A C -1.260 176.397 177.584 0.121 0.000 1.181 451 A CA -0.016 52.118 52.037 0.161 0.000 0.831 451 A CB 0.243 19.482 19.000 0.398 0.000 1.102 451 A HN 0.625 nan 8.150 nan 0.000 0.513 452 Y N 1.474 121.701 120.300 -0.122 0.000 2.406 452 Y HA 0.512 5.062 4.550 -0.000 0.000 0.340 452 Y C -0.358 175.500 175.900 -0.070 0.000 0.975 452 Y CA -0.785 57.293 58.100 -0.037 0.000 1.056 452 Y CB 2.161 40.669 38.460 0.080 0.000 1.210 452 Y HN 0.665 nan 8.280 nan 0.000 0.448 453 Q N 8.265 127.753 119.800 -0.520 0.000 2.431 453 Q HA 0.496 4.836 4.340 -0.000 0.000 0.249 453 Q C -2.836 172.745 176.000 -0.698 0.000 1.025 453 Q CA -2.587 52.932 55.803 -0.473 0.000 0.835 453 Q CB 1.313 29.860 28.738 -0.318 0.000 1.207 453 Q HN 0.324 nan 8.270 nan 0.000 0.490 454 P HA -0.038 nan 4.420 nan 0.000 0.262 454 P C -0.819 176.318 177.300 -0.272 0.000 1.182 454 P CA 0.567 63.459 63.100 -0.346 0.000 0.761 454 P CB 0.548 32.184 31.700 -0.108 0.000 0.795 455 L N 3.200 124.282 121.223 -0.236 0.000 2.491 455 L HA 0.755 5.095 4.340 -0.000 0.000 0.264 455 L C -0.294 176.591 176.870 0.025 0.000 1.053 455 L CA -1.082 53.665 54.840 -0.155 0.000 0.858 455 L CB 0.852 42.684 42.059 -0.379 0.000 1.519 455 L HN 0.174 nan 8.230 nan 0.000 0.508 456 L N 0.047 121.365 121.223 0.158 0.000 2.787 456 L HA 0.242 4.582 4.340 -0.000 0.000 0.260 456 L C -0.611 176.387 176.870 0.213 0.000 0.921 456 L CA -0.277 54.682 54.840 0.197 0.000 0.984 456 L CB 1.727 43.888 42.059 0.170 0.000 1.519 456 L HN 0.603 nan 8.230 nan 0.000 0.452 457 S N 2.885 118.661 115.700 0.126 0.000 2.549 457 S HA 0.254 4.724 4.470 -0.000 0.000 0.279 457 S C 0.911 175.482 174.600 -0.048 0.000 1.321 457 S CA -0.074 58.046 58.200 -0.134 0.000 1.054 457 S CB 0.615 63.711 63.200 -0.172 0.000 0.899 457 S HN 0.714 nan 8.310 nan 0.000 0.497 458 N N 3.320 121.975 118.700 -0.074 0.000 2.184 458 N HA -0.162 4.578 4.740 -0.000 0.000 0.190 458 N C 1.543 177.033 175.510 -0.033 0.000 1.011 458 N CA 1.780 54.801 53.050 -0.049 0.000 0.867 458 N CB -1.634 36.821 38.487 -0.054 0.000 0.993 458 N HN 0.759 nan 8.380 nan 0.000 0.433 459 T N 1.693 116.222 114.554 -0.041 0.000 2.649 459 T HA -0.130 4.220 4.350 -0.000 0.000 0.268 459 T C 1.540 176.244 174.700 0.007 0.000 1.036 459 T CA 1.098 63.187 62.100 -0.018 0.000 1.157 459 T CB -0.193 68.663 68.868 -0.021 0.000 0.861 459 T HN 0.275 nan 8.240 nan 0.000 0.445 460 L N 0.440 121.677 121.223 0.024 0.000 2.872 460 L HA 0.424 4.764 4.340 -0.000 0.000 0.245 460 L C 2.339 179.251 176.870 0.070 0.000 1.211 460 L CA -0.248 54.622 54.840 0.049 0.000 1.013 460 L CB -0.395 41.702 42.059 0.064 0.000 1.326 460 L HN 0.165 nan 8.230 nan 0.000 0.525 461 A N 0.664 123.512 122.820 0.047 0.000 2.093 461 A HA -0.240 4.080 4.320 -0.000 0.000 0.222 461 A C 2.024 179.679 177.584 0.117 0.000 1.162 461 A CA 1.814 53.884 52.037 0.055 0.000 0.655 461 A CB -0.184 18.803 19.000 -0.022 0.000 0.805 461 A HN 0.482 nan 8.150 nan 0.000 0.461 462 E N -0.203 120.049 120.200 0.086 0.000 2.204 462 E HA -0.077 4.273 4.350 -0.000 0.000 0.195 462 E C 1.569 178.232 176.600 0.106 0.000 0.990 462 E CA 0.892 57.344 56.400 0.086 0.000 0.821 462 E CB -0.302 29.433 29.700 0.057 0.000 0.750 462 E HN 0.669 nan 8.360 nan 0.000 0.477 463 L N -0.333 120.961 121.223 0.118 0.000 2.509 463 L HA 0.018 4.358 4.340 -0.000 0.000 0.222 463 L C 1.779 178.739 176.870 0.150 0.000 1.123 463 L CA 0.006 54.912 54.840 0.110 0.000 0.856 463 L CB -0.182 41.934 42.059 0.094 0.000 0.985 463 L HN 0.122 nan 8.230 nan 0.000 0.456 464 Y N 1.071 121.405 120.300 0.057 0.000 1.997 464 Y HA -0.401 4.149 4.550 -0.000 0.000 0.265 464 Y C 2.361 178.318 175.900 0.094 0.000 1.193 464 Y CA 2.364 60.510 58.100 0.076 0.000 1.106 464 Y CB -0.720 37.777 38.460 0.061 0.000 0.940 464 Y HN -0.083 nan 8.280 nan 0.000 0.494 465 V N 0.782 120.699 119.914 0.006 0.000 2.392 465 V HA -0.331 3.789 4.120 -0.000 0.000 0.249 465 V C 2.439 178.503 176.094 -0.049 0.000 1.059 465 V CA 2.320 64.559 62.300 -0.101 0.000 1.051 465 V CB -0.930 30.892 31.823 -0.002 0.000 0.658 465 V HN 0.327 nan 8.190 nan 0.000 0.455 466 R N 0.668 121.172 120.500 0.007 0.000 2.120 466 R HA -0.134 4.206 4.340 -0.000 0.000 0.234 466 R C 2.028 178.337 176.300 0.014 0.000 1.123 466 R CA 1.756 57.867 56.100 0.018 0.000 0.975 466 R CB -0.440 29.882 30.300 0.037 0.000 0.866 466 R HN 0.660 nan 8.270 nan 0.000 0.446 467 E N -1.279 118.928 120.200 0.011 0.000 2.060 467 E HA -0.123 4.227 4.350 -0.000 0.000 0.189 467 E C 1.653 178.232 176.600 -0.035 0.000 0.974 467 E CA 0.575 56.983 56.400 0.013 0.000 0.808 467 E CB -0.336 29.397 29.700 0.056 0.000 0.768 467 E HN 0.450 nan 8.360 nan 0.000 0.453 468 H N 0.996 119.931 119.070 -0.226 0.000 2.541 468 H HA -0.110 4.446 4.556 -0.000 0.000 0.289 468 H C 1.950 177.193 175.328 -0.142 0.000 1.054 468 H CA 1.189 57.074 56.048 -0.272 0.000 1.250 468 H CB 0.374 29.785 29.762 -0.585 0.000 1.369 468 H HN 0.166 nan 8.280 nan 0.000 0.578 469 L N -1.247 119.979 121.223 0.006 0.000 2.537 469 L HA 0.242 4.582 4.340 -0.000 0.000 0.224 469 L C 2.495 179.373 176.870 0.014 0.000 1.065 469 L CA 0.596 55.447 54.840 0.019 0.000 0.860 469 L CB -0.377 41.697 42.059 0.025 0.000 1.086 469 L HN -0.162 nan 8.230 nan 0.000 0.482 470 R N 0.226 120.737 120.500 0.017 0.000 2.083 470 R HA -0.147 4.193 4.340 -0.000 0.000 0.237 470 R C 2.003 178.342 176.300 0.066 0.000 1.137 470 R CA 1.821 57.948 56.100 0.044 0.000 0.951 470 R CB -0.135 30.196 30.300 0.051 0.000 0.851 470 R HN 0.381 nan 8.270 nan 0.000 0.434 471 E N 0.857 121.084 120.200 0.044 0.000 2.106 471 E HA -0.172 4.178 4.350 -0.000 0.000 0.192 471 E C 1.842 178.482 176.600 0.067 0.000 0.984 471 E CA 1.126 57.573 56.400 0.077 0.000 0.806 471 E CB -0.165 29.555 29.700 0.033 0.000 0.750 471 E HN 0.540 nan 8.360 nan 0.000 0.458 472 Q N 0.524 120.330 119.800 0.010 0.000 2.561 472 Q HA -0.062 4.278 4.340 -0.000 0.000 0.217 472 Q C 1.698 177.722 176.000 0.040 0.000 0.980 472 Q CA 0.925 56.735 55.803 0.012 0.000 0.927 472 Q CB -0.172 28.561 28.738 -0.008 0.000 0.980 472 Q HN 0.192 nan 8.270 nan 0.000 0.525 473 S N -0.963 114.776 115.700 0.064 0.000 2.528 473 S HA 0.046 4.516 4.470 -0.000 0.000 0.219 473 S C 1.616 176.272 174.600 0.092 0.000 0.985 473 S CA -0.070 58.171 58.200 0.069 0.000 0.914 473 S CB 0.254 63.496 63.200 0.070 0.000 0.776 473 S HN 0.178 nan 8.310 nan 0.000 0.526 474 R N 1.666 122.245 120.500 0.132 0.000 2.100 474 R HA 0.280 4.620 4.340 -0.000 0.000 0.220 474 R C 0.345 176.694 176.300 0.083 0.000 1.091 474 R CA 0.449 56.652 56.100 0.172 0.000 0.986 474 R CB -0.323 30.165 30.300 0.314 0.000 0.888 474 R HN 0.384 nan 8.270 nan 0.000 0.444 475 K N 1.770 122.199 120.400 0.048 0.000 2.579 475 K HA -0.097 4.223 4.320 -0.000 0.000 0.277 475 K C -2.315 174.287 176.600 0.004 0.000 0.985 475 K CA -0.412 55.883 56.287 0.013 0.000 1.088 475 K CB -0.144 32.363 32.500 0.012 0.000 0.836 475 K HN -0.023 nan 8.250 nan 0.000 0.487 476 P HA 0.026 nan 4.420 nan 0.000 0.261 476 P C -2.100 175.182 177.300 -0.030 0.000 1.203 476 P CA -0.721 62.358 63.100 -0.036 0.000 0.767 476 P CB -0.051 31.606 31.700 -0.071 0.000 0.785 494 R N -0.102 120.377 120.500 -0.035 0.000 2.561 494 R HA 0.658 4.998 4.340 -0.000 0.000 0.297 494 R C -0.589 175.659 176.300 -0.087 0.000 0.969 494 R CA -0.772 55.264 56.100 -0.106 0.000 0.879 494 R CB 1.408 31.568 30.300 -0.233 0.000 1.178 494 R HN 0.628 nan 8.270 nan 0.000 0.445 495 I N 4.395 124.905 120.570 -0.099 0.000 2.395 495 I HA 0.167 4.337 4.170 -0.000 0.000 0.289 495 I C 0.077 176.111 176.117 -0.138 0.000 1.023 495 I CA -0.510 60.721 61.300 -0.114 0.000 1.350 495 I CB 0.935 38.852 38.000 -0.138 0.000 1.409 495 I HN 0.212 nan 8.210 nan 0.000 0.507 496 K N 5.149 125.468 120.400 -0.136 0.000 2.240 496 K HA 0.446 4.766 4.320 -0.000 0.000 0.271 496 K C -0.591 175.890 176.600 -0.199 0.000 1.018 496 K CA -0.538 55.660 56.287 -0.148 0.000 0.874 496 K CB 0.984 33.415 32.500 -0.115 0.000 1.098 496 K HN 0.429 nan 8.250 nan 0.000 0.458 497 T N 1.366 115.770 114.554 -0.249 0.000 2.824 497 T HA 0.149 4.499 4.350 -0.000 0.000 0.280 497 T C 0.289 174.807 174.700 -0.305 0.000 0.995 497 T CA -0.443 61.420 62.100 -0.394 0.000 1.009 497 T CB 1.619 70.162 68.868 -0.543 0.000 0.955 497 T HN 0.550 nan 8.240 nan 0.000 0.452 498 T N 1.135 115.518 114.554 -0.284 0.000 2.855 498 T HA 0.068 4.418 4.350 -0.000 0.000 0.314 498 T C 1.507 176.153 174.700 -0.090 0.000 1.077 498 T CA -0.156 61.868 62.100 -0.127 0.000 1.095 498 T CB 0.417 69.265 68.868 -0.033 0.000 0.987 498 T HN 0.525 nan 8.240 nan 0.000 0.546 499 S N 1.238 116.921 115.700 -0.028 0.000 2.470 499 S HA 0.157 4.627 4.470 -0.000 0.000 0.225 499 S C 0.798 175.438 174.600 0.066 0.000 1.006 499 S CA 0.080 58.276 58.200 -0.007 0.000 0.934 499 S CB 0.024 63.223 63.200 -0.001 0.000 0.778 499 S HN 0.673 nan 8.310 nan 0.000 0.517 500 S N 0.680 116.460 115.700 0.134 0.000 2.442 500 S HA 0.462 4.932 4.470 -0.000 0.000 0.297 500 S C 0.181 175.002 174.600 0.369 0.000 1.131 500 S CA -0.576 57.747 58.200 0.204 0.000 1.092 500 S CB 0.972 64.281 63.200 0.181 0.000 0.998 500 S HN 0.213 nan 8.310 nan 0.000 0.478 501 I N 5.007 125.716 120.570 0.230 0.000 3.956 501 I HA 0.196 4.366 4.170 -0.000 0.000 0.333 501 I C 1.867 177.901 176.117 -0.139 0.000 1.302 501 I CA 0.146 61.487 61.300 0.068 0.000 1.122 501 I CB -0.345 37.700 38.000 0.076 0.000 1.013 501 I HN 0.918 nan 8.210 nan 0.000 0.405 502 E N 0.994 121.220 120.200 0.043 0.000 2.085 502 E HA -0.322 4.028 4.350 -0.000 0.000 0.194 502 E C 2.147 178.717 176.600 -0.050 0.000 0.994 502 E CA 2.117 58.515 56.400 -0.004 0.000 0.801 502 E CB -1.181 28.553 29.700 0.057 0.000 0.743 502 E HN 0.527 nan 8.360 nan 0.000 0.453 503 F N 1.504 121.453 119.950 -0.002 0.000 2.115 503 F HA -0.134 4.393 4.527 -0.000 0.000 0.300 503 F C 2.370 178.149 175.800 -0.035 0.000 1.092 503 F CA 1.167 59.162 58.000 -0.009 0.000 1.245 503 F CB -0.734 38.276 39.000 0.018 0.000 0.995 503 F HN 0.107 nan 8.300 nan 0.000 0.481 504 A N 0.691 122.752 122.820 -1.265 0.000 2.066 504 A HA 0.009 4.329 4.320 -0.000 0.000 0.218 504 A C 2.303 179.604 177.584 -0.472 0.000 1.157 504 A CA 0.931 52.422 52.037 -0.910 0.000 0.670 504 A CB -0.609 17.577 19.000 -1.357 0.000 0.804 504 A HN 0.526 nan 8.150 nan 0.000 0.453 505 R N -0.680 119.594 120.500 -0.376 0.000 2.127 505 R HA 0.156 4.496 4.340 -0.000 0.000 0.217 505 R C 1.830 178.101 176.300 -0.048 0.000 1.074 505 R CA 0.815 56.798 56.100 -0.195 0.000 0.991 505 R CB -0.392 29.794 30.300 -0.189 0.000 0.895 505 R HN 0.441 nan 8.270 nan 0.000 0.450 506 L N 0.741 121.935 121.223 -0.049 0.000 2.046 506 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 506 L C 2.662 179.563 176.870 0.053 0.000 1.077 506 L CA 1.230 56.077 54.840 0.012 0.000 0.747 506 L CB -0.348 41.714 42.059 0.006 0.000 0.896 506 L HN 0.112 nan 8.230 nan 0.000 0.432 507 Q N -0.076 119.732 119.800 0.013 0.000 2.061 507 Q HA -0.271 4.069 4.340 -0.000 0.000 0.204 507 Q C 2.047 178.098 176.000 0.084 0.000 0.984 507 Q CA 2.093 57.920 55.803 0.039 0.000 0.846 507 Q CB -0.475 28.263 28.738 -0.000 0.000 0.902 507 Q HN 0.443 nan 8.270 nan 0.000 0.421 508 F N -0.225 119.665 119.950 -0.100 0.000 2.134 508 F HA -0.181 4.346 4.527 -0.000 0.000 0.299 508 F C 1.893 177.655 175.800 -0.062 0.000 1.097 508 F CA 1.902 59.837 58.000 -0.107 0.000 1.264 508 F CB -0.324 38.545 39.000 -0.218 0.000 1.001 508 F HN 0.062 nan 8.300 nan 0.000 0.479 509 T N -0.675 113.989 114.554 0.182 0.000 2.812 509 T HA -0.212 4.138 4.350 -0.000 0.000 0.264 509 T C 1.541 176.281 174.700 0.067 0.000 1.042 509 T CA 1.546 63.712 62.100 0.111 0.000 1.140 509 T CB -0.781 68.156 68.868 0.114 0.000 0.870 509 T HN 0.474 nan 8.240 nan 0.000 0.445 510 Y N 2.323 122.612 120.300 -0.018 0.000 2.145 510 Y HA -0.140 4.410 4.550 -0.000 0.000 0.286 510 Y C 2.246 178.128 175.900 -0.032 0.000 1.145 510 Y CA 1.380 59.469 58.100 -0.019 0.000 1.148 510 Y CB -0.515 37.937 38.460 -0.013 0.000 0.981 510 Y HN 0.228 nan 8.280 nan 0.000 0.507 511 N N -1.300 117.478 118.700 0.130 0.000 2.120 511 N HA -0.243 4.497 4.740 -0.000 0.000 0.188 511 N C 1.752 177.208 175.510 -0.090 0.000 1.024 511 N CA 1.099 54.163 53.050 0.022 0.000 0.852 511 N CB -0.383 38.106 38.487 0.004 0.000 1.003 511 N HN 0.513 nan 8.380 nan 0.000 0.424 512 H N 0.855 119.757 119.070 -0.281 0.000 2.353 512 H HA -0.049 4.507 4.556 -0.000 0.000 0.300 512 H C 2.215 177.442 175.328 -0.169 0.000 1.090 512 H CA 1.065 56.944 56.048 -0.282 0.000 1.327 512 H CB 0.148 29.661 29.762 -0.414 0.000 1.383 512 H HN 0.217 nan 8.280 nan 0.000 0.508 513 I N 0.535 121.065 120.570 -0.067 0.000 2.233 513 I HA -0.267 3.903 4.170 -0.000 0.000 0.243 513 I C 2.808 178.838 176.117 -0.144 0.000 1.093 513 I CA 0.917 62.160 61.300 -0.095 0.000 1.380 513 I CB -0.450 37.475 38.000 -0.124 0.000 1.067 513 I HN 0.301 nan 8.210 nan 0.000 0.413 514 Q N 1.479 121.104 119.800 -0.291 0.000 2.096 514 Q HA -0.288 4.052 4.340 -0.000 0.000 0.208 514 Q C 2.354 178.265 176.000 -0.148 0.000 0.993 514 Q CA 2.100 57.722 55.803 -0.302 0.000 0.862 514 Q CB -0.002 28.505 28.738 -0.385 0.000 0.915 514 Q HN 0.382 nan 8.270 nan 0.000 0.416 515 R N -1.093 119.335 120.500 -0.120 0.000 2.075 515 R HA -0.137 4.203 4.340 -0.000 0.000 0.232 515 R C 2.287 178.545 176.300 -0.071 0.000 1.126 515 R CA 1.630 57.674 56.100 -0.094 0.000 0.963 515 R CB -0.490 29.742 30.300 -0.113 0.000 0.858 515 R HN 0.452 nan 8.270 nan 0.000 0.435 516 H N 0.093 119.083 119.070 -0.134 0.000 2.321 516 H HA -0.109 4.447 4.556 -0.000 0.000 0.300 516 H C 1.828 177.107 175.328 -0.083 0.000 1.087 516 H CA 2.104 58.091 56.048 -0.103 0.000 1.319 516 H CB -0.065 29.641 29.762 -0.093 0.000 1.379 516 H HN 0.095 nan 8.280 nan 0.000 0.501 517 V N -0.875 119.013 119.914 -0.044 0.000 2.453 517 V HA -0.145 3.975 4.120 -0.000 0.000 0.247 517 V C 1.936 177.960 176.094 -0.118 0.000 1.048 517 V CA 1.871 64.118 62.300 -0.089 0.000 1.049 517 V CB -0.491 31.310 31.823 -0.036 0.000 0.672 517 V HN 0.361 nan 8.190 nan 0.000 0.457 518 N N 1.324 119.962 118.700 -0.102 0.000 2.149 518 N HA -0.183 4.557 4.740 -0.000 0.000 0.188 518 N C 1.526 176.975 175.510 -0.102 0.000 1.019 518 N CA 2.075 55.072 53.050 -0.088 0.000 0.857 518 N CB -0.568 37.876 38.487 -0.072 0.000 0.997 518 N HN 0.609 nan 8.380 nan 0.000 0.426 519 D N 0.302 120.619 120.400 -0.138 0.000 2.078 519 D HA -0.069 4.571 4.640 -0.000 0.000 0.193 519 D C 2.007 178.212 176.300 -0.159 0.000 0.990 519 D CA 0.925 54.837 54.000 -0.146 0.000 0.827 519 D CB -0.143 40.553 40.800 -0.174 0.000 0.975 519 D HN 0.142 nan 8.370 nan 0.000 0.451 520 M N -0.000 119.459 119.600 -0.236 0.000 2.175 520 M HA 0.003 4.483 4.480 -0.000 0.000 0.264 520 M C 2.346 178.578 176.300 -0.112 0.000 1.063 520 M CA 0.791 55.978 55.300 -0.189 0.000 1.119 520 M CB -0.955 31.493 32.600 -0.253 0.000 1.377 520 M HN 0.045 nan 8.290 nan 0.000 0.415 521 L N -0.645 120.515 121.223 -0.106 0.000 2.217 521 L HA -0.035 4.305 4.340 -0.000 0.000 0.211 521 L C 2.516 179.349 176.870 -0.063 0.000 1.107 521 L CA 0.815 55.609 54.840 -0.077 0.000 0.783 521 L CB -1.051 40.963 42.059 -0.076 0.000 0.919 521 L HN 0.366 nan 8.230 nan 0.000 0.442 522 G N -0.061 108.699 108.800 -0.066 0.000 2.422 522 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.218 522 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.218 522 G C 1.791 176.671 174.900 -0.032 0.000 1.140 522 G CA 0.285 45.357 45.100 -0.047 0.000 0.775 522 G HN 0.295 nan 8.290 nan 0.000 0.545 523 R N -0.424 120.053 120.500 -0.040 0.000 2.100 523 R HA 0.118 4.458 4.340 -0.000 0.000 0.220 523 R C 2.640 178.940 176.300 0.001 0.000 1.091 523 R CA 0.594 56.680 56.100 -0.023 0.000 0.986 523 R CB -0.401 29.877 30.300 -0.037 0.000 0.888 523 R HN 0.239 nan 8.270 nan 0.000 0.444 524 V N 1.499 121.410 119.914 -0.005 0.000 2.282 524 V HA -0.292 3.828 4.120 -0.000 0.000 0.249 524 V C 2.463 178.595 176.094 0.064 0.000 1.057 524 V CA 2.146 64.462 62.300 0.026 0.000 1.032 524 V CB -0.740 31.076 31.823 -0.011 0.000 0.645 524 V HN 0.411 nan 8.190 nan 0.000 0.447 525 A N -0.490 122.343 122.820 0.022 0.000 1.972 525 A HA -0.165 4.155 4.320 -0.000 0.000 0.219 525 A C 2.186 179.825 177.584 0.092 0.000 1.169 525 A CA 1.887 53.950 52.037 0.043 0.000 0.635 525 A CB -0.494 18.505 19.000 -0.002 0.000 0.810 525 A HN 0.533 nan 8.150 nan 0.000 0.446 526 I N -0.659 119.944 120.570 0.055 0.000 2.233 526 I HA -0.212 3.958 4.170 -0.000 0.000 0.243 526 I C 2.991 179.138 176.117 0.051 0.000 1.093 526 I CA 0.962 62.288 61.300 0.043 0.000 1.380 526 I CB -0.368 37.641 38.000 0.014 0.000 1.067 526 I HN 0.354 nan 8.210 nan 0.000 0.413 527 A N 0.851 123.705 122.820 0.057 0.000 1.902 527 A HA -0.262 4.058 4.320 -0.000 0.000 0.217 527 A C 2.274 179.903 177.584 0.074 0.000 1.181 527 A CA 1.293 53.353 52.037 0.038 0.000 0.623 527 A CB -1.190 17.836 19.000 0.043 0.000 0.818 527 A HN 0.709 nan 8.150 nan 0.000 0.443 528 W N 0.163 121.440 121.300 -0.040 0.000 2.317 528 W HA -0.291 4.369 4.660 0.000 0.000 0.318 528 W C 2.464 178.966 176.519 -0.029 0.000 1.227 528 W CA 2.076 59.402 57.345 -0.030 0.000 1.269 528 W CB -0.770 28.675 29.460 -0.025 0.000 1.155 528 W HN 0.425 nan 8.180 nan 0.000 0.484 529 c N 1.547 120.246 118.600 0.165 0.000 2.413 529 c HA -0.186 4.384 4.570 -0.000 0.000 0.276 529 c C 2.494 176.553 174.090 -0.052 0.000 1.248 529 c CA 1.843 58.205 56.329 0.053 0.000 1.742 529 c CB -1.183 41.384 42.510 0.096 0.000 2.017 529 c HN 0.393 nan 8.230 nan 0.000 0.481 530 E N -0.263 119.891 120.200 -0.077 0.000 2.204 530 E HA -0.193 4.157 4.350 -0.000 0.000 0.194 530 E C 1.849 178.283 176.600 -0.277 0.000 0.989 530 E CA 0.938 57.233 56.400 -0.175 0.000 0.824 530 E CB -0.201 29.369 29.700 -0.218 0.000 0.756 530 E HN 0.603 nan 8.360 nan 0.000 0.477 531 L N 0.948 122.023 121.223 -0.247 0.000 2.131 531 L HA -0.149 4.191 4.340 -0.000 0.000 0.206 531 L C 2.017 178.755 176.870 -0.220 0.000 1.087 531 L CA 1.496 56.179 54.840 -0.263 0.000 0.767 531 L CB -0.041 41.812 42.059 -0.344 0.000 0.917 531 L HN -0.036 nan 8.230 nan 0.000 0.441 532 Q N -0.376 119.256 119.800 -0.279 0.000 2.123 532 Q HA -0.104 4.236 4.340 -0.000 0.000 0.199 532 Q C 2.011 177.988 176.000 -0.039 0.000 0.966 532 Q CA 1.183 56.868 55.803 -0.197 0.000 0.845 532 Q CB -0.712 27.898 28.738 -0.212 0.000 0.907 532 Q HN 0.528 nan 8.270 nan 0.000 0.439 533 N N 0.394 119.099 118.700 0.010 0.000 2.120 533 N HA -0.135 4.605 4.740 -0.000 0.000 0.188 533 N C 1.642 177.275 175.510 0.205 0.000 1.024 533 N CA 1.184 54.300 53.050 0.111 0.000 0.852 533 N CB -0.315 38.264 38.487 0.154 0.000 1.003 533 N HN 0.372 nan 8.380 nan 0.000 0.424 534 H N 0.823 119.882 119.070 -0.018 0.000 2.372 534 H HA 0.134 4.690 4.556 -0.000 0.000 0.301 534 H C 1.590 176.929 175.328 0.017 0.000 1.065 534 H CA 0.751 56.797 56.048 -0.005 0.000 1.364 534 H CB 0.004 29.752 29.762 -0.023 0.000 1.406 534 H HN 0.183 nan 8.280 nan 0.000 0.521 535 E N 0.543 120.834 120.200 0.152 0.000 2.265 535 E HA -0.115 4.235 4.350 -0.000 0.000 0.196 535 E C 2.229 179.012 176.600 0.305 0.000 0.996 535 E CA 0.188 56.677 56.400 0.148 0.000 0.832 535 E CB -0.363 29.436 29.700 0.166 0.000 0.756 535 E HN 0.276 nan 8.360 nan 0.000 0.491 536 L N 1.511 122.898 121.223 0.273 0.000 2.021 536 L HA -0.222 4.118 4.340 -0.000 0.000 0.215 536 L C 2.087 179.106 176.870 0.248 0.000 1.074 536 L CA 2.130 57.133 54.840 0.273 0.000 0.760 536 L CB -1.237 40.902 42.059 0.133 0.000 0.889 536 L HN 0.016 nan 8.230 nan 0.000 0.433 537 T N 0.137 114.767 114.554 0.128 0.000 2.699 537 T HA -0.217 4.133 4.350 -0.000 0.000 0.268 537 T C 1.983 176.716 174.700 0.056 0.000 1.036 537 T CA 1.907 64.048 62.100 0.069 0.000 1.147 537 T CB -0.352 68.510 68.868 -0.010 0.000 0.862 537 T HN 0.344 nan 8.240 nan 0.000 0.446 538 L N -1.113 120.114 121.223 0.006 0.000 2.017 538 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 538 L C 2.491 179.292 176.870 -0.114 0.000 1.073 538 L CA 1.641 56.412 54.840 -0.114 0.000 0.745 538 L CB -0.646 41.259 42.059 -0.256 0.000 0.894 538 L HN 0.409 nan 8.230 nan 0.000 0.432 539 W N 0.414 121.727 121.300 0.022 0.000 2.342 539 W HA -0.178 4.482 4.660 -0.000 0.000 0.297 539 W C 2.534 179.160 176.519 0.179 0.000 1.213 539 W CA 0.710 58.089 57.345 0.057 0.000 1.251 539 W CB -0.547 28.878 29.460 -0.058 0.000 1.136 539 W HN 0.192 nan 8.180 nan 0.000 0.526 540 N N 0.215 119.139 118.700 0.374 0.000 2.205 540 N HA -0.157 4.583 4.740 -0.000 0.000 0.186 540 N C 1.487 177.091 175.510 0.157 0.000 1.015 540 N CA 1.415 54.631 53.050 0.277 0.000 0.862 540 N CB -0.381 38.220 38.487 0.189 0.000 0.986 540 N HN 0.215 nan 8.380 nan 0.000 0.429 541 E N 0.569 120.829 120.200 0.100 0.000 2.086 541 E HA 0.099 4.449 4.350 -0.000 0.000 0.190 541 E C 1.912 178.541 176.600 0.047 0.000 0.975 541 E CA 0.527 56.956 56.400 0.047 0.000 0.813 541 E CB -0.393 29.311 29.700 0.007 0.000 0.768 541 E HN 0.265 nan 8.360 nan 0.000 0.457 542 A N 2.339 125.181 122.820 0.037 0.000 1.972 542 A HA -0.235 4.085 4.320 -0.000 0.000 0.219 542 A C 2.176 179.826 177.584 0.109 0.000 1.169 542 A CA 1.868 53.920 52.037 0.025 0.000 0.635 542 A CB -0.606 18.346 19.000 -0.081 0.000 0.810 542 A HN 0.299 nan 8.150 nan 0.000 0.446 543 R N 0.172 120.791 120.500 0.198 0.000 2.091 543 R HA -0.148 4.192 4.340 -0.000 0.000 0.238 543 R C 1.842 178.204 176.300 0.105 0.000 1.136 543 R CA 1.783 58.005 56.100 0.204 0.000 0.959 543 R CB -0.535 29.903 30.300 0.231 0.000 0.856 543 R HN 0.425 nan 8.270 nan 0.000 0.437 544 K N 0.832 121.277 120.400 0.074 0.000 2.147 544 K HA -0.035 4.285 4.320 -0.000 0.000 0.205 544 K C 2.098 178.722 176.600 0.040 0.000 1.049 544 K CA 1.402 57.715 56.287 0.043 0.000 0.936 544 K CB -0.131 32.387 32.500 0.031 0.000 0.722 544 K HN 0.251 nan 8.250 nan 0.000 0.446 545 L N 0.053 121.301 121.223 0.043 0.000 2.179 545 L HA -0.019 4.321 4.340 -0.000 0.000 0.208 545 L C 0.859 177.756 176.870 0.045 0.000 1.096 545 L CA 0.414 55.276 54.840 0.036 0.000 0.779 545 L CB -0.071 42.002 42.059 0.024 0.000 0.922 545 L HN 0.142 nan 8.230 nan 0.000 0.443 546 N N -0.979 117.756 118.700 0.060 0.000 2.751 546 N HA 0.164 4.904 4.740 -0.000 0.000 0.238 546 N C -2.331 173.230 175.510 0.085 0.000 1.351 546 N CA -1.147 51.942 53.050 0.066 0.000 0.751 546 N CB 1.289 39.815 38.487 0.064 0.000 1.342 546 N HN -0.235 nan 8.380 nan 0.000 0.540 547 P HA 0.051 nan 4.420 nan 0.000 0.217 547 P C 0.933 178.281 177.300 0.080 0.000 1.151 547 P CA 0.839 63.987 63.100 0.080 0.000 0.828 547 P CB 0.584 32.314 31.700 0.050 0.000 0.788 548 N N 0.021 118.758 118.700 0.062 0.000 2.058 548 N HA -0.140 4.600 4.740 -0.000 0.000 0.191 548 N C 1.798 177.341 175.510 0.054 0.000 1.037 548 N CA 1.815 54.894 53.050 0.048 0.000 0.848 548 N CB -1.304 37.205 38.487 0.037 0.000 1.021 548 N HN 0.016 nan 8.380 nan 0.000 0.422 549 A N 0.648 123.509 122.820 0.067 0.000 1.883 549 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 549 A C 2.212 179.872 177.584 0.126 0.000 1.186 549 A CA 1.261 53.345 52.037 0.079 0.000 0.624 549 A CB -0.714 18.335 19.000 0.083 0.000 0.822 549 A HN 0.156 nan 8.150 nan 0.000 0.444 550 I N 0.054 120.731 120.570 0.178 0.000 2.202 550 I HA -0.183 3.987 4.170 -0.000 0.000 0.242 550 I C 2.890 179.126 176.117 0.199 0.000 1.091 550 I CA 1.285 62.751 61.300 0.277 0.000 1.368 550 I CB -0.668 37.564 38.000 0.385 0.000 1.058 550 I HN 0.310 nan 8.210 nan 0.000 0.410 551 A N -0.731 122.190 122.820 0.168 0.000 1.902 551 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 551 A C 2.514 180.133 177.584 0.059 0.000 1.181 551 A CA 2.185 54.298 52.037 0.127 0.000 0.623 551 A CB -0.969 18.085 19.000 0.090 0.000 0.818 551 A HN 0.396 nan 8.150 nan 0.000 0.443 552 S N -0.769 114.953 115.700 0.038 0.000 2.370 552 S HA -0.127 4.343 4.470 -0.000 0.000 0.226 552 S C 1.889 176.480 174.600 -0.015 0.000 1.033 552 S CA 1.576 59.770 58.200 -0.009 0.000 1.011 552 S CB -0.329 62.852 63.200 -0.033 0.000 0.852 552 S HN 0.351 nan 8.310 nan 0.000 0.457 553 V N 1.174 121.093 119.914 0.008 0.000 2.379 553 V HA -0.096 4.024 4.120 -0.000 0.000 0.243 553 V C 2.457 178.497 176.094 -0.091 0.000 1.035 553 V CA 1.830 64.120 62.300 -0.017 0.000 1.035 553 V CB -1.173 30.675 31.823 0.041 0.000 0.673 553 V HN 0.482 nan 8.190 nan 0.000 0.457 554 T N 0.248 114.718 114.554 -0.139 0.000 2.699 554 T HA -0.193 4.157 4.350 -0.000 0.000 0.268 554 T C 1.868 176.492 174.700 -0.128 0.000 1.036 554 T CA 1.839 63.789 62.100 -0.250 0.000 1.147 554 T CB -0.260 68.440 68.868 -0.280 0.000 0.862 554 T HN 0.280 nan 8.240 nan 0.000 0.446 555 V N 0.072 119.958 119.914 -0.046 0.000 2.488 555 V HA 0.239 4.359 4.120 -0.000 0.000 0.246 555 V C 2.316 178.389 176.094 -0.035 0.000 1.046 555 V CA 1.606 63.893 62.300 -0.022 0.000 1.053 555 V CB -0.537 31.290 31.823 0.005 0.000 0.679 555 V HN 0.754 nan 8.190 nan 0.000 0.458 556 G N 0.727 109.502 108.800 -0.042 0.000 2.481 556 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.200 556 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.200 556 G C 0.415 175.291 174.900 -0.040 0.000 1.012 556 G CA 0.007 45.083 45.100 -0.040 0.000 0.676 556 G HN 0.679 nan 8.290 nan 0.000 0.488 557 R N 0.014 120.488 120.500 -0.044 0.000 2.854 557 R HA 0.811 5.151 4.340 -0.000 0.000 0.271 557 R C -0.420 175.818 176.300 -0.105 0.000 0.996 557 R CA -1.081 54.981 56.100 -0.064 0.000 0.961 557 R CB 1.145 31.421 30.300 -0.040 0.000 1.182 557 R HN -0.033 nan 8.270 nan 0.000 0.479 558 R N 1.639 122.017 120.500 -0.203 0.000 2.473 558 R HA 0.085 4.425 4.340 -0.000 0.000 0.315 558 R C -0.065 176.129 176.300 -0.176 0.000 0.972 558 R CA 0.159 56.078 56.100 -0.301 0.000 1.047 558 R CB 0.217 30.056 30.300 -0.768 0.000 0.932 558 R HN 0.558 nan 8.270 nan 0.000 0.411 559 V N -0.435 119.420 119.914 -0.098 0.000 3.126 559 V HA 0.729 4.849 4.120 -0.000 0.000 0.314 559 V C -0.032 176.053 176.094 -0.014 0.000 1.138 559 V CA -1.073 61.205 62.300 -0.037 0.000 1.034 559 V CB 2.289 34.105 31.823 -0.010 0.000 1.075 559 V HN 0.698 nan 8.190 nan 0.000 0.442 560 S N 0.996 116.703 115.700 0.012 0.000 2.509 560 S HA 0.985 5.455 4.470 -0.000 0.000 0.297 560 S C -0.243 174.373 174.600 0.026 0.000 1.118 560 S CA 0.022 58.237 58.200 0.025 0.000 1.074 560 S CB 1.384 64.607 63.200 0.038 0.000 1.038 560 S HN 2.355 nan 8.310 nan 0.000 0.498 561 A N 1.964 124.801 122.820 0.029 0.000 2.588 561 A HA 0.988 5.308 4.320 -0.000 0.000 0.290 561 A C -0.877 176.721 177.584 0.024 0.000 1.136 561 A CA -1.269 50.783 52.037 0.025 0.000 0.681 561 A CB 1.453 20.471 19.000 0.029 0.000 1.282 561 A HN 1.344 nan 8.150 nan 0.000 0.421 562 R N -0.388 120.120 120.500 0.013 0.000 2.709 562 R HA 0.584 4.924 4.340 -0.000 0.000 0.270 562 R C -1.221 175.075 176.300 -0.007 0.000 1.038 562 R CA -0.982 55.124 56.100 0.010 0.000 0.872 562 R CB 0.548 30.855 30.300 0.013 0.000 1.259 562 R HN 0.544 nan 8.270 nan 0.000 0.473 563 M N 2.049 121.642 119.600 -0.011 0.000 2.241 563 M HA 0.289 4.769 4.480 -0.000 0.000 0.335 563 M C -0.208 176.079 176.300 -0.022 0.000 1.122 563 M CA -0.151 55.132 55.300 -0.028 0.000 1.164 563 M CB 0.261 32.845 32.600 -0.027 0.000 1.459 563 M HN 0.593 nan 8.290 nan 0.000 0.461 564 L N 2.210 123.415 121.223 -0.031 0.000 2.529 564 L HA 0.422 4.762 4.340 -0.000 0.000 0.246 564 L C 0.802 177.656 176.870 -0.027 0.000 1.394 564 L CA -0.337 54.489 54.840 -0.023 0.000 0.906 564 L CB 0.395 42.441 42.059 -0.021 0.000 1.170 564 L HN 1.104 nan 8.230 nan 0.000 0.501 565 G N 1.290 110.075 108.800 -0.024 0.000 2.588 565 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.273 565 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.273 565 G C 0.093 174.971 174.900 -0.036 0.000 1.211 565 G CA 0.265 45.350 45.100 -0.025 0.000 0.958 565 G HN 0.465 nan 8.290 nan 0.000 0.543 566 D N 0.966 121.340 120.400 -0.043 0.000 2.525 566 D HA 0.527 5.167 4.640 -0.000 0.000 0.229 566 D C 0.035 176.281 176.300 -0.090 0.000 1.202 566 D CA 0.363 54.328 54.000 -0.058 0.000 0.828 566 D CB 1.172 41.947 40.800 -0.041 0.000 1.008 566 D HN 0.411 nan 8.370 nan 0.000 0.493 567 V N 0.842 120.701 119.914 -0.092 0.000 3.087 567 V HA 0.379 4.499 4.120 -0.000 0.000 0.306 567 V C -0.887 175.143 176.094 -0.108 0.000 1.187 567 V CA -0.912 61.321 62.300 -0.112 0.000 0.999 567 V CB 3.245 35.025 31.823 -0.072 0.000 1.049 567 V HN 0.012 nan 8.190 nan 0.000 0.431 568 M N 3.209 122.732 119.600 -0.129 0.000 2.227 568 M HA 0.793 5.273 4.480 -0.000 0.000 0.335 568 M C -0.203 176.066 176.300 -0.052 0.000 1.053 568 M CA -0.469 54.771 55.300 -0.099 0.000 0.973 568 M CB 1.411 33.925 32.600 -0.144 0.000 1.623 568 M HN 0.844 nan 8.290 nan 0.000 0.434 569 A N 4.449 127.251 122.820 -0.029 0.000 2.309 569 A HA 0.694 5.014 4.320 -0.000 0.000 0.298 569 A C -0.829 176.755 177.584 -0.001 0.000 1.165 569 A CA -0.597 51.433 52.037 -0.012 0.000 0.821 569 A CB 0.530 19.526 19.000 -0.006 0.000 1.102 569 A HN 0.888 nan 8.150 nan 0.000 0.500 570 V N 0.623 120.540 119.914 0.005 0.000 2.760 570 V HA 0.898 5.018 4.120 -0.000 0.000 0.309 570 V C -0.266 175.838 176.094 0.015 0.000 1.077 570 V CA -0.065 62.243 62.300 0.013 0.000 0.910 570 V CB 1.138 32.970 31.823 0.015 0.000 1.008 570 V HN 1.396 nan 8.190 nan 0.000 0.424 571 S N 2.174 117.886 115.700 0.021 0.000 2.599 571 S HA 0.765 5.235 4.470 -0.000 0.000 0.287 571 S C -0.242 174.375 174.600 0.029 0.000 1.105 571 S CA -0.621 57.595 58.200 0.025 0.000 0.899 571 S CB 1.966 65.184 63.200 0.031 0.000 1.100 571 S HN 0.969 nan 8.310 nan 0.000 0.482 572 T N 2.153 116.728 114.554 0.034 0.000 2.889 572 T HA 0.403 4.753 4.350 -0.000 0.000 0.291 572 T C 0.502 175.244 174.700 0.070 0.000 0.995 572 T CA -0.462 61.662 62.100 0.040 0.000 1.092 572 T CB 0.047 68.939 68.868 0.040 0.000 0.954 572 T HN 0.828 nan 8.240 nan 0.000 0.506 573 c N 2.411 121.060 118.600 0.081 0.000 2.705 573 c HA 0.475 5.045 4.570 -0.000 0.000 0.348 573 c C 0.690 174.912 174.090 0.220 0.000 1.386 573 c CA -0.783 55.642 56.329 0.160 0.000 2.361 573 c CB -0.273 42.349 42.510 0.187 0.000 2.486 573 c HN 0.623 nan 8.230 nan 0.000 0.728 574 V N 2.223 122.288 119.914 0.252 0.000 2.604 574 V HA 0.427 4.547 4.120 -0.000 0.000 0.305 574 V C -2.378 173.786 176.094 0.117 0.000 1.043 574 V CA -1.302 61.125 62.300 0.211 0.000 0.888 574 V CB 1.728 33.702 31.823 0.251 0.000 0.995 574 V HN 0.725 nan 8.190 nan 0.000 0.429 575 P HA 0.506 nan 4.420 nan 0.000 0.281 575 P C -1.160 176.046 177.300 -0.156 0.000 1.249 575 P CA -0.389 62.529 63.100 -0.303 0.000 0.810 575 P CB 1.311 32.864 31.700 -0.244 0.000 1.008 576 V N 1.218 121.001 119.914 -0.218 0.000 2.789 576 V HA 0.625 4.745 4.120 -0.000 0.000 0.311 576 V C 0.544 176.602 176.094 -0.061 0.000 1.073 576 V CA -0.894 61.325 62.300 -0.135 0.000 0.921 576 V CB 1.711 33.345 31.823 -0.316 0.000 1.009 576 V HN 0.737 nan 8.190 nan 0.000 0.426 577 A N 2.903 125.710 122.820 -0.021 0.000 2.245 577 A HA 0.673 4.993 4.320 -0.000 0.000 0.279 577 A C 1.295 178.905 177.584 0.043 0.000 1.290 577 A CA 0.875 52.917 52.037 0.009 0.000 0.819 577 A CB -0.065 18.939 19.000 0.007 0.000 1.173 577 A HN 1.467 nan 8.150 nan 0.000 0.508 578 A N -1.766 121.082 122.820 0.048 0.000 2.138 578 A HA 0.200 4.520 4.320 -0.000 0.000 0.203 578 A C 1.313 178.881 177.584 -0.026 0.000 1.286 578 A CA 1.106 53.174 52.037 0.053 0.000 0.929 578 A CB -0.187 18.890 19.000 0.128 0.000 0.975 578 A HN 0.784 nan 8.150 nan 0.000 0.480 579 D N 0.170 120.566 120.400 -0.006 0.000 2.348 579 D HA -0.067 4.573 4.640 -0.000 0.000 0.216 579 D C 0.416 176.706 176.300 -0.017 0.000 0.970 579 D CA 0.754 54.751 54.000 -0.006 0.000 0.889 579 D CB -0.465 40.337 40.800 0.005 0.000 0.912 579 D HN 0.237 nan 8.370 nan 0.000 0.524 580 N N -0.397 118.285 118.700 -0.030 0.000 2.235 580 N HA 0.131 4.871 4.740 -0.000 0.000 0.209 580 N C -0.935 174.543 175.510 -0.054 0.000 1.122 580 N CA -0.028 53.008 53.050 -0.025 0.000 0.845 580 N CB 1.298 39.787 38.487 0.003 0.000 1.004 580 N HN 0.043 nan 8.380 nan 0.000 0.499 581 V N 1.510 121.348 119.914 -0.126 0.000 2.525 581 V HA 0.470 4.590 4.120 -0.000 0.000 0.299 581 V C -0.203 175.845 176.094 -0.076 0.000 1.034 581 V CA -0.723 61.452 62.300 -0.207 0.000 0.863 581 V CB 2.208 33.613 31.823 -0.697 0.000 0.999 581 V HN -0.062 nan 8.190 nan 0.000 0.423 582 I N 4.155 124.720 120.570 -0.008 0.000 2.603 582 I HA 0.571 4.741 4.170 -0.000 0.000 0.300 582 I C -0.611 175.536 176.117 0.050 0.000 1.017 582 I CA -1.051 60.274 61.300 0.043 0.000 1.098 582 I CB 2.350 40.345 38.000 -0.009 0.000 1.279 582 I HN 0.377 nan 8.210 nan 0.000 0.437 583 V N 5.437 125.367 119.914 0.027 0.000 2.459 583 V HA 0.359 4.479 4.120 -0.000 0.000 0.295 583 V C -0.248 175.766 176.094 -0.134 0.000 1.029 583 V CA -0.399 61.842 62.300 -0.099 0.000 0.874 583 V CB 1.721 33.347 31.823 -0.328 0.000 0.985 583 V HN 0.677 nan 8.190 nan 0.000 0.438 584 Q N 3.626 123.379 119.800 -0.079 0.000 2.417 584 Q HA 0.209 4.549 4.340 -0.000 0.000 0.241 584 Q C 0.940 176.931 176.000 -0.015 0.000 1.008 584 Q CA 0.821 56.589 55.803 -0.058 0.000 0.901 584 Q CB 0.466 29.183 28.738 -0.034 0.000 1.259 584 Q HN 0.880 nan 8.270 nan 0.000 0.489 585 N N -0.700 117.977 118.700 -0.038 0.000 2.300 585 N HA -0.054 4.686 4.740 -0.000 0.000 0.179 585 N C -0.314 175.265 175.510 0.114 0.000 1.016 585 N CA 0.520 53.557 53.050 -0.021 0.000 0.876 585 N CB 0.420 38.883 38.487 -0.040 0.000 0.979 585 N HN 0.330 nan 8.380 nan 0.000 0.432 586 S N -0.820 114.979 115.700 0.164 0.000 2.536 586 S HA 0.450 4.920 4.470 -0.000 0.000 0.298 586 S C -0.021 174.762 174.600 0.304 0.000 1.083 586 S CA -0.699 57.634 58.200 0.222 0.000 0.995 586 S CB 1.123 64.402 63.200 0.133 0.000 1.058 586 S HN 0.215 nan 8.310 nan 0.000 0.488 587 M N 3.289 123.116 119.600 0.378 0.000 2.484 587 M HA 0.277 4.757 4.480 -0.000 0.000 0.307 587 M C 0.114 176.593 176.300 0.299 0.000 1.149 587 M CA -0.110 55.437 55.300 0.412 0.000 0.972 587 M CB 0.327 33.175 32.600 0.414 0.000 1.400 587 M HN 0.379 nan 8.290 nan 0.000 0.508 588 R N 1.059 121.655 120.500 0.160 0.000 2.404 588 R HA 0.531 4.871 4.340 -0.000 0.000 0.291 588 R C -0.571 175.717 176.300 -0.020 0.000 1.025 588 R CA -0.320 55.762 56.100 -0.031 0.000 0.991 588 R CB 1.256 31.535 30.300 -0.034 0.000 1.053 588 R HN 0.203 nan 8.270 nan 0.000 0.479 589 I N 1.379 121.847 120.570 -0.169 0.000 2.307 589 I HA 0.043 4.213 4.170 -0.000 0.000 0.289 589 I C 1.443 177.504 176.117 -0.094 0.000 1.021 589 I CA -0.118 61.095 61.300 -0.145 0.000 1.224 589 I CB 1.763 39.574 38.000 -0.315 0.000 1.376 589 I HN 0.686 nan 8.210 nan 0.000 0.470 590 S N 3.825 119.502 115.700 -0.037 0.000 2.356 590 S HA -0.158 4.312 4.470 -0.000 0.000 0.223 590 S C 1.927 176.503 174.600 -0.040 0.000 1.032 590 S CA 2.040 60.221 58.200 -0.032 0.000 1.005 590 S CB -0.031 63.164 63.200 -0.009 0.000 0.867 590 S HN 0.823 nan 8.310 nan 0.000 0.449 591 S N 0.845 116.525 115.700 -0.034 0.000 2.803 591 S HA 0.192 4.662 4.470 -0.000 0.000 0.226 591 S C 0.491 175.060 174.600 -0.052 0.000 0.962 591 S CA -0.228 57.952 58.200 -0.034 0.000 0.968 591 S CB -0.303 62.885 63.200 -0.020 0.000 0.786 591 S HN 0.467 nan 8.310 nan 0.000 0.527 592 R N 0.487 120.941 120.500 -0.076 0.000 2.568 592 R HA 0.245 4.585 4.340 -0.000 0.000 0.232 592 R C -3.273 172.962 176.300 -0.109 0.000 1.412 592 R CA -1.255 54.790 56.100 -0.092 0.000 1.492 592 R CB 0.079 30.309 30.300 -0.118 0.000 1.441 592 R HN 0.251 nan 8.270 nan 0.000 0.768 593 P HA -0.114 nan 4.420 nan 0.000 0.263 593 P C 1.032 178.270 177.300 -0.104 0.000 1.162 593 P CA 1.815 64.861 63.100 -0.091 0.000 0.758 593 P CB 0.453 32.115 31.700 -0.063 0.000 0.773 594 G N 1.404 110.126 108.800 -0.129 0.000 2.176 594 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.253 594 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.253 594 G C 0.240 175.039 174.900 -0.169 0.000 0.979 594 G CA 0.027 45.047 45.100 -0.132 0.000 0.641 594 G HN 0.891 nan 8.290 nan 0.000 0.530 595 A N -0.790 121.909 122.820 -0.202 0.000 2.331 595 A HA 0.768 5.088 4.320 -0.000 0.000 0.320 595 A C -0.086 177.284 177.584 -0.356 0.000 1.138 595 A CA 0.184 52.076 52.037 -0.241 0.000 0.790 595 A CB 1.619 20.497 19.000 -0.204 0.000 1.206 595 A HN 1.061 nan 8.150 nan 0.000 0.470 596 c N 0.945 119.302 118.600 -0.404 0.000 2.797 596 c HA 0.556 5.126 4.570 -0.000 0.000 0.306 596 c C -0.611 173.291 174.090 -0.313 0.000 1.207 596 c CA -0.798 55.240 56.329 -0.485 0.000 1.507 596 c CB 0.963 42.920 42.510 -0.922 0.000 2.028 596 c HN 0.820 nan 8.230 nan 0.000 0.475 597 Y N 1.422 121.708 120.300 -0.023 0.000 2.511 597 Y HA 0.038 4.588 4.550 -0.000 0.000 0.332 597 Y C 1.778 177.743 175.900 0.109 0.000 1.177 597 Y CA 0.425 58.536 58.100 0.020 0.000 1.422 597 Y CB 0.630 39.078 38.460 -0.020 0.000 1.271 597 Y HN 0.786 nan 8.280 nan 0.000 0.550 598 S N 2.324 118.164 115.700 0.233 0.000 2.383 598 S HA -0.013 4.457 4.470 -0.000 0.000 0.227 598 S C 0.741 175.402 174.600 0.102 0.000 1.026 598 S CA 0.967 59.295 58.200 0.213 0.000 0.981 598 S CB 0.013 63.307 63.200 0.156 0.000 0.818 598 S HN 0.551 nan 8.310 nan 0.000 0.472 599 R N 0.212 120.645 120.500 -0.111 0.000 2.930 599 R HA 0.439 4.779 4.340 -0.000 0.000 0.257 599 R C -3.096 172.824 176.300 -0.634 0.000 1.107 599 R CA -2.413 53.309 56.100 -0.630 0.000 0.999 599 R CB 0.710 30.741 30.300 -0.448 0.000 1.209 599 R HN -0.013 nan 8.270 nan 0.000 0.486 600 P HA 0.147 nan 4.420 nan 0.000 0.275 600 P C -0.687 176.376 177.300 -0.395 0.000 1.228 600 P CA -0.094 62.625 63.100 -0.636 0.000 0.786 600 P CB 0.517 31.817 31.700 -0.667 0.000 0.927 601 L N 2.037 123.069 121.223 -0.319 0.000 2.379 601 L HA 0.652 4.992 4.340 -0.000 0.000 0.269 601 L C 0.487 177.256 176.870 -0.168 0.000 1.084 601 L CA -0.722 53.938 54.840 -0.300 0.000 0.802 601 L CB 0.978 42.820 42.059 -0.362 0.000 1.175 601 L HN 0.205 nan 8.230 nan 0.000 0.448 602 V N -1.522 118.323 119.914 -0.115 0.000 3.159 602 V HA 0.731 4.851 4.120 -0.000 0.000 0.308 602 V C -0.620 175.465 176.094 -0.015 0.000 1.190 602 V CA -0.512 61.759 62.300 -0.048 0.000 1.037 602 V CB 2.019 33.836 31.823 -0.009 0.000 1.060 602 V HN 0.676 nan 8.190 nan 0.000 0.437 603 S N 1.156 116.854 115.700 -0.003 0.000 2.536 603 S HA 0.977 5.447 4.470 -0.000 0.000 0.287 603 S C -0.994 173.622 174.600 0.027 0.000 1.101 603 S CA -0.422 57.763 58.200 -0.024 0.000 0.950 603 S CB 1.494 64.646 63.200 -0.080 0.000 1.056 603 S HN 1.312 nan 8.310 nan 0.000 0.481 604 F N 0.994 120.848 119.950 -0.161 0.000 2.869 604 F HA 0.874 5.401 4.527 -0.000 0.000 0.325 604 F C -1.152 174.540 175.800 -0.181 0.000 1.184 604 F CA -1.421 56.455 58.000 -0.206 0.000 0.951 604 F CB 1.106 39.929 39.000 -0.296 0.000 1.421 604 F HN 0.561 nan 8.300 nan 0.000 0.501 605 R N -0.223 120.266 120.500 -0.018 0.000 2.584 605 R HA 0.398 4.738 4.340 -0.000 0.000 0.276 605 R C -1.291 175.098 176.300 0.148 0.000 1.046 605 R CA -0.773 55.275 56.100 -0.086 0.000 0.906 605 R CB 1.061 31.336 30.300 -0.042 0.000 1.215 605 R HN 0.799 nan 8.270 nan 0.000 0.449 606 Y N 0.727 121.146 120.300 0.198 0.000 2.242 606 Y HA -0.019 4.531 4.550 -0.000 0.000 0.291 606 Y C 0.609 176.561 175.900 0.087 0.000 1.137 606 Y CA 1.000 59.212 58.100 0.185 0.000 1.181 606 Y CB 0.320 38.871 38.460 0.151 0.000 0.989 606 Y HN 0.423 nan 8.280 nan 0.000 0.527 607 E N -0.019 120.313 120.200 0.221 0.000 2.222 607 E HA 0.082 4.432 4.350 -0.000 0.000 0.267 607 E C -0.421 176.222 176.600 0.072 0.000 0.963 607 E CA -0.340 56.131 56.400 0.118 0.000 0.837 607 E CB 1.193 30.946 29.700 0.088 0.000 1.183 607 E HN 0.082 nan 8.360 nan 0.000 0.403 608 D N 0.535 120.964 120.400 0.047 0.000 2.378 608 D HA -0.105 4.535 4.640 -0.000 0.000 0.227 608 D C 1.134 177.444 176.300 0.018 0.000 1.012 608 D CA 0.818 54.834 54.000 0.028 0.000 0.905 608 D CB 0.387 41.200 40.800 0.022 0.000 0.895 608 D HN 0.310 nan 8.370 nan 0.000 0.532 609 Q N -1.171 118.641 119.800 0.020 0.000 2.126 609 Q HA 0.168 4.508 4.340 -0.000 0.000 0.233 609 Q C 0.926 176.929 176.000 0.005 0.000 0.788 609 Q CA -0.101 55.708 55.803 0.009 0.000 0.968 609 Q CB -0.197 28.547 28.738 0.009 0.000 1.163 609 Q HN 0.050 nan 8.270 nan 0.000 0.471 610 G N 2.770 111.580 108.800 0.016 0.000 2.653 610 G HA2 0.424 4.384 3.960 -0.000 0.000 0.265 610 G HA3 0.424 4.384 3.960 -0.000 0.000 0.265 610 G C -2.482 172.406 174.900 -0.020 0.000 1.237 610 G CA -0.845 44.262 45.100 0.012 0.000 0.946 610 G HN 0.092 nan 8.290 nan 0.000 0.522 611 P HA 0.142 nan 4.420 nan 0.000 0.268 611 P C -0.101 177.123 177.300 -0.126 0.000 1.204 611 P CA -0.138 62.925 63.100 -0.062 0.000 0.768 611 P CB 0.594 32.264 31.700 -0.049 0.000 0.842 612 L N 3.122 124.261 121.223 -0.141 0.000 2.418 612 L HA 0.117 4.457 4.340 -0.000 0.000 0.274 612 L C 0.181 176.888 176.870 -0.272 0.000 1.135 612 L CA -0.274 54.437 54.840 -0.216 0.000 0.870 612 L CB 0.209 42.182 42.059 -0.143 0.000 1.154 612 L HN 0.121 nan 8.230 nan 0.000 0.462 613 V N 3.473 123.082 119.914 -0.508 0.000 2.567 613 V HA 0.213 4.333 4.120 -0.000 0.000 0.289 613 V C 0.165 176.075 176.094 -0.306 0.000 1.049 613 V CA -0.832 61.188 62.300 -0.466 0.000 0.969 613 V CB 1.677 33.042 31.823 -0.763 0.000 0.995 613 V HN 0.588 nan 8.190 nan 0.000 0.471 614 E N 3.562 123.679 120.200 -0.138 0.000 2.035 614 E HA 0.557 4.907 4.350 -0.000 0.000 0.271 614 E C 0.229 176.823 176.600 -0.009 0.000 0.953 614 E CA 0.021 56.380 56.400 -0.067 0.000 0.777 614 E CB 1.738 31.404 29.700 -0.057 0.000 1.104 614 E HN 0.863 nan 8.360 nan 0.000 0.408 615 G N 1.885 110.705 108.800 0.034 0.000 3.222 615 G HA2 0.556 4.516 3.960 -0.000 0.000 0.263 615 G HA3 0.556 4.516 3.960 -0.000 0.000 0.263 615 G C -0.860 174.019 174.900 -0.036 0.000 1.312 615 G CA -0.531 44.594 45.100 0.041 0.000 0.934 615 G HN 0.381 nan 8.290 nan 0.000 0.577 616 Q N -1.588 118.184 119.800 -0.048 0.000 2.544 616 Q HA 0.686 5.026 4.340 -0.000 0.000 0.291 616 Q C -1.628 174.330 176.000 -0.071 0.000 1.068 616 Q CA -0.968 54.768 55.803 -0.112 0.000 0.785 616 Q CB 2.202 30.818 28.738 -0.204 0.000 1.481 616 Q HN 0.495 nan 8.270 nan 0.000 0.430 617 L N 2.171 123.330 121.223 -0.107 0.000 2.295 617 L HA 0.491 4.831 4.340 -0.000 0.000 0.288 617 L C 0.250 177.100 176.870 -0.032 0.000 1.079 617 L CA 0.528 55.347 54.840 -0.035 0.000 0.830 617 L CB 0.518 42.554 42.059 -0.039 0.000 1.200 617 L HN 0.855 nan 8.230 nan 0.000 0.438 618 G N 4.075 112.895 108.800 0.032 0.000 2.485 618 G HA2 0.202 4.162 3.960 -0.000 0.000 0.260 618 G HA3 0.202 4.162 3.960 -0.000 0.000 0.260 618 G C -0.487 174.469 174.900 0.094 0.000 1.459 618 G CA -0.546 44.584 45.100 0.050 0.000 1.060 618 G HN 0.664 nan 8.290 nan 0.000 0.546 619 E N -0.419 119.840 120.200 0.100 0.000 2.283 619 E HA 0.241 4.591 4.350 -0.000 0.000 0.271 619 E C -0.050 176.612 176.600 0.103 0.000 1.031 619 E CA -0.412 56.059 56.400 0.119 0.000 0.868 619 E CB 0.849 30.613 29.700 0.106 0.000 1.094 619 E HN 0.451 nan 8.360 nan 0.000 0.401 620 N N 2.769 121.527 118.700 0.097 0.000 2.738 620 N HA -0.228 4.512 4.740 -0.000 0.000 0.249 620 N C -1.021 174.509 175.510 0.033 0.000 1.047 620 N CA 0.836 53.914 53.050 0.047 0.000 0.707 620 N CB -1.335 37.173 38.487 0.035 0.000 0.937 620 N HN 0.689 nan 8.380 nan 0.000 0.545 621 N N -1.496 117.234 118.700 0.049 0.000 2.714 621 N HA -0.270 4.470 4.740 -0.000 0.000 0.250 621 N C -0.419 175.210 175.510 0.199 0.000 1.117 621 N CA 1.368 54.433 53.050 0.024 0.000 0.719 621 N CB -1.173 36.984 38.487 -0.550 0.000 1.081 621 N HN 0.886 nan 8.380 nan 0.000 0.557 622 E N 1.028 121.330 120.200 0.170 0.000 2.105 622 E HA 0.240 4.590 4.350 -0.000 0.000 0.285 622 E C -0.163 176.501 176.600 0.107 0.000 1.055 622 E CA -0.450 56.038 56.400 0.147 0.000 0.843 622 E CB 0.382 30.144 29.700 0.102 0.000 1.067 622 E HN 0.206 nan 8.360 nan 0.000 0.398 623 L N 5.739 126.982 121.223 0.033 0.000 2.407 623 L HA 0.271 4.611 4.340 -0.000 0.000 0.282 623 L C 0.751 177.595 176.870 -0.043 0.000 1.110 623 L CA -0.051 54.737 54.840 -0.086 0.000 0.863 623 L CB 0.185 41.986 42.059 -0.430 0.000 1.207 623 L HN 0.425 nan 8.230 nan 0.000 0.454 624 R N 2.591 123.095 120.500 0.007 0.000 2.490 624 R HA 0.258 4.598 4.340 -0.000 0.000 0.278 624 R C 0.947 177.281 176.300 0.057 0.000 1.069 624 R CA -0.480 55.639 56.100 0.032 0.000 1.080 624 R CB 1.167 31.484 30.300 0.028 0.000 1.030 624 R HN 0.629 nan 8.270 nan 0.000 0.491 625 L N 0.589 121.858 121.223 0.077 0.000 2.131 625 L HA 0.002 4.342 4.340 -0.000 0.000 0.206 625 L C 0.707 177.621 176.870 0.072 0.000 1.087 625 L CA 1.048 55.951 54.840 0.104 0.000 0.767 625 L CB 0.012 42.139 42.059 0.113 0.000 0.917 625 L HN 0.591 nan 8.230 nan 0.000 0.441 626 T N 0.050 114.636 114.554 0.053 0.000 2.875 626 T HA 0.282 4.632 4.350 -0.000 0.000 0.284 626 T C 0.422 175.139 174.700 0.029 0.000 0.995 626 T CA -0.481 61.645 62.100 0.043 0.000 1.060 626 T CB 1.241 70.137 68.868 0.046 0.000 0.967 626 T HN 0.093 nan 8.240 nan 0.000 0.476 627 R N 2.062 122.579 120.500 0.027 0.000 4.518 627 R HA 0.143 4.483 4.340 -0.000 0.000 0.243 627 R C 0.128 176.506 176.300 0.129 0.000 1.720 627 R CA -0.151 55.959 56.100 0.016 0.000 1.526 627 R CB -0.194 30.076 30.300 -0.049 0.000 1.425 627 R HN 0.636 nan 8.270 nan 0.000 0.787 628 D N -0.677 119.783 120.400 0.101 0.000 2.367 628 D HA -0.008 4.632 4.640 -0.000 0.000 0.207 628 D C 0.484 176.851 176.300 0.113 0.000 1.034 628 D CA -0.173 53.890 54.000 0.106 0.000 0.861 628 D CB 0.371 41.211 40.800 0.066 0.000 0.943 628 D HN 0.105 nan 8.370 nan 0.000 0.515 629 A N 1.274 124.168 122.820 0.123 0.000 2.655 629 A HA 0.463 4.783 4.320 -0.000 0.000 0.297 629 A C -0.088 177.592 177.584 0.160 0.000 1.461 629 A CA -0.130 51.974 52.037 0.113 0.000 1.146 629 A CB -0.903 18.144 19.000 0.078 0.000 1.108 629 A HN 0.333 nan 8.150 nan 0.000 0.550 630 I N 1.798 122.422 120.570 0.091 0.000 2.686 630 I HA 0.453 4.623 4.170 -0.000 0.000 0.295 630 I C -0.204 175.914 176.117 0.001 0.000 1.114 630 I CA -0.641 60.670 61.300 0.018 0.000 1.038 630 I CB 2.489 40.442 38.000 -0.078 0.000 1.238 630 I HN 0.813 nan 8.210 nan 0.000 0.420 631 E N 4.914 125.102 120.200 -0.020 0.000 2.393 631 E HA 0.602 4.952 4.350 -0.000 0.000 0.273 631 E C -2.952 173.615 176.600 -0.056 0.000 0.918 631 E CA -2.436 53.965 56.400 0.003 0.000 0.773 631 E CB 2.183 31.932 29.700 0.081 0.000 1.275 631 E HN 0.115 nan 8.360 nan 0.000 0.451 632 P HA 0.084 nan 4.420 nan 0.000 0.271 632 P C -0.373 176.888 177.300 -0.066 0.000 1.220 632 P CA -0.376 62.686 63.100 -0.063 0.000 0.768 632 P CB 0.419 32.103 31.700 -0.027 0.000 0.848 633 c N 3.033 121.535 118.600 -0.164 0.000 2.727 633 c HA 0.416 4.986 4.570 -0.000 0.000 0.401 633 c C 1.016 175.096 174.090 -0.018 0.000 1.294 633 c CA 0.429 56.618 56.329 -0.234 0.000 2.134 633 c CB -0.567 41.698 42.510 -0.408 0.000 2.724 633 c HN 0.608 nan 8.230 nan 0.000 0.677 634 T N -0.323 114.313 114.554 0.137 0.000 2.671 634 T HA 0.599 4.949 4.350 -0.000 0.000 0.300 634 T C -0.299 174.546 174.700 0.242 0.000 1.238 634 T CA -0.492 61.709 62.100 0.168 0.000 1.020 634 T CB 0.852 69.823 68.868 0.173 0.000 1.503 634 T HN 0.814 nan 8.240 nan 0.000 0.497 635 V N -1.767 118.246 119.914 0.165 0.000 3.345 635 V HA 0.910 5.030 4.120 -0.000 0.000 0.308 635 V C 1.375 177.550 176.094 0.135 0.000 1.168 635 V CA 0.023 62.415 62.300 0.153 0.000 1.024 635 V CB 0.261 32.141 31.823 0.094 0.000 1.211 635 V HN 1.672 nan 8.190 nan 0.000 0.461 636 G N -0.352 108.509 108.800 0.102 0.000 2.205 636 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.269 636 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.269 636 G C 0.495 175.426 174.900 0.051 0.000 0.977 636 G CA 0.905 46.045 45.100 0.067 0.000 0.652 636 G HN 1.685 nan 8.290 nan 0.000 0.539 637 H N 1.049 120.092 119.070 -0.046 0.000 3.187 637 H HA 0.314 4.870 4.556 -0.000 0.000 0.286 637 H C 0.389 175.604 175.328 -0.189 0.000 0.944 637 H CA 0.719 56.658 56.048 -0.181 0.000 1.429 637 H CB 0.195 29.684 29.762 -0.455 0.000 1.483 637 H HN 0.459 nan 8.280 nan 0.000 0.555 638 R N 4.353 124.541 120.500 -0.520 0.000 2.621 638 R HA 0.518 4.858 4.340 -0.000 0.000 0.284 638 R C -0.517 175.401 176.300 -0.637 0.000 0.998 638 R CA -0.878 54.916 56.100 -0.510 0.000 0.895 638 R CB 1.872 32.131 30.300 -0.069 0.000 1.195 638 R HN 0.568 nan 8.270 nan 0.000 0.450 639 R N 1.898 121.954 120.500 -0.741 0.000 2.771 639 R HA 0.406 4.746 4.340 -0.000 0.000 0.274 639 R C -1.340 174.540 176.300 -0.701 0.000 0.987 639 R CA -0.965 54.694 56.100 -0.735 0.000 0.908 639 R CB 1.727 31.401 30.300 -1.044 0.000 1.213 639 R HN 0.565 nan 8.270 nan 0.000 0.468 640 Y N 1.172 121.090 120.300 -0.637 0.000 2.331 640 Y HA 0.472 5.022 4.550 -0.000 0.000 0.334 640 Y C -0.463 175.155 175.900 -0.470 0.000 0.960 640 Y CA -0.508 57.359 58.100 -0.387 0.000 1.130 640 Y CB 1.406 39.652 38.460 -0.356 0.000 1.164 640 Y HN 0.366 nan 8.280 nan 0.000 0.458 641 F N 0.956 121.085 119.950 0.298 0.000 2.482 641 F HA 0.385 4.912 4.527 -0.000 0.000 0.331 641 F C 0.560 176.606 175.800 0.410 0.000 1.115 641 F CA -1.205 56.956 58.000 0.267 0.000 0.955 641 F CB 1.583 40.626 39.000 0.072 0.000 1.136 641 F HN 0.293 nan 8.300 nan 0.000 0.452 642 T N 3.592 118.465 114.554 0.532 0.000 2.933 642 T HA 0.064 4.414 4.350 -0.000 0.000 0.306 642 T C -1.021 173.918 174.700 0.398 0.000 1.045 642 T CA 0.891 63.162 62.100 0.284 0.000 1.143 642 T CB -0.182 68.770 68.868 0.140 0.000 1.003 642 T HN 0.420 nan 8.240 nan 0.000 0.540 643 F N 2.723 122.727 119.950 0.091 0.000 3.240 643 F HA 0.470 4.997 4.527 -0.000 0.000 0.370 643 F C 0.451 176.322 175.800 0.118 0.000 1.271 643 F CA 0.421 58.541 58.000 0.201 0.000 1.224 643 F CB 0.171 39.350 39.000 0.298 0.000 1.624 643 F HN 0.898 nan 8.300 nan 0.000 0.658 644 G N 3.694 112.286 108.800 -0.347 0.000 2.531 644 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.274 644 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.274 644 G C 0.949 175.695 174.900 -0.258 0.000 1.159 644 G CA 0.085 44.955 45.100 -0.383 0.000 0.969 644 G HN 1.665 nan 8.290 nan 0.000 0.554 645 G N 0.728 109.433 108.800 -0.159 0.000 3.181 645 G HA2 0.627 4.587 3.960 -0.000 0.000 0.219 645 G HA3 0.627 4.587 3.960 -0.000 0.000 0.219 645 G C 0.676 175.503 174.900 -0.122 0.000 1.182 645 G CA 1.505 46.529 45.100 -0.126 0.000 0.791 645 G HN 1.824 nan 8.290 nan 0.000 0.537 646 G N -1.018 107.707 108.800 -0.125 0.000 2.871 646 G HA2 0.540 4.500 3.960 -0.000 0.000 0.282 646 G HA3 0.540 4.500 3.960 -0.000 0.000 0.282 646 G C -1.668 173.110 174.900 -0.204 0.000 1.212 646 G CA -0.879 44.125 45.100 -0.160 0.000 0.812 646 G HN 0.025 nan 8.290 nan 0.000 0.547 647 Y N -1.648 118.797 120.300 0.240 0.000 2.587 647 Y HA 0.677 5.227 4.550 -0.000 0.000 0.337 647 Y C -0.039 176.073 175.900 0.353 0.000 1.065 647 Y CA -0.901 57.385 58.100 0.310 0.000 1.126 647 Y CB 2.431 41.072 38.460 0.302 0.000 1.279 647 Y HN 0.352 nan 8.280 nan 0.000 0.489 648 V N 2.677 122.917 119.914 0.544 0.000 2.448 648 V HA 0.407 4.527 4.120 -0.000 0.000 0.295 648 V C -1.748 174.538 176.094 0.321 0.000 1.025 648 V CA -0.709 61.826 62.300 0.392 0.000 0.859 648 V CB 1.112 33.111 31.823 0.293 0.000 0.988 648 V HN 0.670 nan 8.190 nan 0.000 0.431 649 Y N 6.969 127.185 120.300 -0.140 0.000 2.360 649 Y HA 0.721 5.271 4.550 -0.000 0.000 0.337 649 Y C -1.301 174.468 175.900 -0.219 0.000 1.039 649 Y CA -1.350 56.494 58.100 -0.426 0.000 1.109 649 Y CB 1.568 39.484 38.460 -0.906 0.000 1.201 649 Y HN 0.573 nan 8.280 nan 0.000 0.458 650 F N 4.370 123.672 119.950 -1.081 0.000 2.507 650 F HA 0.435 4.962 4.527 -0.000 0.000 0.325 650 F C -0.322 174.915 175.800 -0.938 0.000 1.116 650 F CA -1.029 56.550 58.000 -0.701 0.000 0.930 650 F CB 1.741 40.690 39.000 -0.085 0.000 1.146 650 F HN 0.418 nan 8.300 nan 0.000 0.447 651 E N 2.987 122.893 120.200 -0.490 0.000 2.171 651 E HA 0.205 4.555 4.350 -0.000 0.000 0.271 651 E C -0.455 176.169 176.600 0.039 0.000 0.916 651 E CA -0.518 55.731 56.400 -0.251 0.000 0.774 651 E CB 1.544 31.128 29.700 -0.192 0.000 1.128 651 E HN 0.544 nan 8.360 nan 0.000 0.403 652 E N 2.323 122.631 120.200 0.179 0.000 2.199 652 E HA -0.271 4.079 4.350 -0.000 0.000 0.208 652 E C -0.501 176.184 176.600 0.142 0.000 1.310 652 E CA 0.768 57.263 56.400 0.158 0.000 0.709 652 E CB -1.918 27.857 29.700 0.125 0.000 1.127 652 E HN 0.751 nan 8.360 nan 0.000 0.354 653 Y N -4.250 115.978 120.300 -0.120 0.000 4.753 653 Y HA -0.348 4.202 4.550 -0.000 0.000 0.232 653 Y C 0.828 176.833 175.900 0.175 0.000 1.029 653 Y CA 0.979 59.017 58.100 -0.104 0.000 1.996 653 Y CB -1.697 36.625 38.460 -0.230 0.000 1.602 653 Y HN 0.515 nan 8.280 nan 0.000 0.621 654 A N -0.447 122.481 122.820 0.179 0.000 2.318 654 A HA 0.576 4.896 4.320 -0.000 0.000 0.324 654 A C -0.579 176.740 177.584 -0.441 0.000 1.170 654 A CA -0.698 51.335 52.037 -0.006 0.000 0.810 654 A CB 0.331 19.326 19.000 -0.009 0.000 1.198 654 A HN 0.291 nan 8.150 nan 0.000 0.484 655 Y N 2.852 122.610 120.300 -0.903 0.000 2.805 655 Y HA 0.152 4.702 4.550 -0.000 0.000 0.331 655 Y C 1.265 176.783 175.900 -0.637 0.000 1.241 655 Y CA 1.526 58.788 58.100 -1.395 0.000 1.546 655 Y CB 0.865 38.846 38.460 -0.798 0.000 1.248 655 Y HN 0.661 nan 8.280 nan 0.000 0.559 656 S N 4.132 119.127 115.700 -1.174 0.000 2.655 656 S HA 0.159 4.629 4.470 -0.000 0.000 0.231 656 S C -0.380 173.892 174.600 -0.547 0.000 1.044 656 S CA 0.657 58.503 58.200 -0.591 0.000 0.910 656 S CB -0.137 62.895 63.200 -0.281 0.000 0.833 656 S HN 0.971 nan 8.310 nan 0.000 0.581 657 H N -0.810 117.748 119.070 -0.854 0.000 2.838 657 H HA 0.411 4.967 4.556 -0.000 0.000 0.269 657 H C -1.730 173.523 175.328 -0.126 0.000 1.463 657 H CA -0.828 54.956 56.048 -0.442 0.000 1.141 657 H CB -0.017 29.675 29.762 -0.117 0.000 1.821 657 H HN 0.289 nan 8.280 nan 0.000 0.544 658 Q N 0.252 120.147 119.800 0.159 0.000 2.297 658 Q HA 0.744 5.084 4.340 -0.000 0.000 0.269 658 Q C -0.877 175.282 176.000 0.264 0.000 1.051 658 Q CA -1.093 54.843 55.803 0.221 0.000 0.869 658 Q CB 2.969 31.912 28.738 0.341 0.000 1.346 658 Q HN 0.402 nan 8.270 nan 0.000 0.457 659 L N 0.034 121.422 121.223 0.275 0.000 2.465 659 L HA 0.424 4.764 4.340 -0.000 0.000 0.257 659 L C -0.583 176.448 176.870 0.269 0.000 0.988 659 L CA -0.672 54.332 54.840 0.275 0.000 0.827 659 L CB 2.363 44.598 42.059 0.292 0.000 1.397 659 L HN 0.709 nan 8.230 nan 0.000 0.410 660 S N -0.034 115.789 115.700 0.205 0.000 2.687 660 S HA 0.488 4.958 4.470 -0.000 0.000 0.283 660 S C 0.830 175.542 174.600 0.186 0.000 1.170 660 S CA -0.773 57.520 58.200 0.155 0.000 1.008 660 S CB 1.622 64.883 63.200 0.103 0.000 1.026 660 S HN 0.649 nan 8.310 nan 0.000 0.541 661 R N 0.793 121.368 120.500 0.124 0.000 2.127 661 R HA -0.114 4.226 4.340 -0.000 0.000 0.238 661 R C 2.396 178.766 176.300 0.117 0.000 1.134 661 R CA 1.369 57.564 56.100 0.158 0.000 0.975 661 R CB -1.035 29.298 30.300 0.054 0.000 0.865 661 R HN 0.829 nan 8.270 nan 0.000 0.447 662 A N 1.569 124.436 122.820 0.079 0.000 2.019 662 A HA -0.165 4.155 4.320 -0.000 0.000 0.219 662 A C 1.330 178.941 177.584 0.046 0.000 1.164 662 A CA 1.562 53.630 52.037 0.052 0.000 0.644 662 A CB -0.202 18.825 19.000 0.043 0.000 0.805 662 A HN 0.160 nan 8.150 nan 0.000 0.449 663 D N -0.731 119.709 120.400 0.067 0.000 2.348 663 D HA 0.068 4.708 4.640 -0.000 0.000 0.216 663 D C -0.117 176.179 176.300 -0.006 0.000 0.970 663 D CA 0.609 54.636 54.000 0.045 0.000 0.889 663 D CB -0.023 40.826 40.800 0.082 0.000 0.912 663 D HN 0.361 nan 8.370 nan 0.000 0.524 664 I N 0.615 121.180 120.570 -0.009 0.000 2.404 664 I HA 0.087 4.257 4.170 -0.000 0.000 0.293 664 I C 0.706 176.786 176.117 -0.062 0.000 0.992 664 I CA -0.925 60.316 61.300 -0.098 0.000 1.149 664 I CB 1.591 39.480 38.000 -0.185 0.000 1.315 664 I HN -0.243 nan 8.210 nan 0.000 0.446 665 T N 1.583 116.084 114.554 -0.088 0.000 2.932 665 T HA 0.339 4.689 4.350 -0.000 0.000 0.312 665 T C 0.193 174.856 174.700 -0.062 0.000 1.071 665 T CA -0.450 61.612 62.100 -0.064 0.000 1.128 665 T CB 0.216 69.041 68.868 -0.071 0.000 0.984 665 T HN 0.589 nan 8.240 nan 0.000 0.549 666 T N 2.388 116.917 114.554 -0.042 0.000 2.829 666 T HA 0.625 4.975 4.350 -0.000 0.000 0.280 666 T C 0.019 174.687 174.700 -0.053 0.000 0.999 666 T CA -0.709 61.365 62.100 -0.043 0.000 0.983 666 T CB 1.331 70.187 68.868 -0.020 0.000 0.968 666 T HN 1.016 nan 8.240 nan 0.000 0.446 667 V N -0.042 119.828 119.914 -0.075 0.000 3.001 667 V HA 0.932 5.052 4.120 -0.000 0.000 0.314 667 V C -0.315 175.700 176.094 -0.132 0.000 1.099 667 V CA -0.816 61.434 62.300 -0.084 0.000 0.989 667 V CB 2.093 33.868 31.823 -0.080 0.000 1.040 667 V HN 0.781 nan 8.190 nan 0.000 0.434 668 S N 0.692 116.307 115.700 -0.142 0.000 2.549 668 S HA 0.588 5.058 4.470 -0.000 0.000 0.297 668 S C 0.931 175.368 174.600 -0.271 0.000 1.115 668 S CA 0.180 58.222 58.200 -0.264 0.000 1.059 668 S CB 1.706 64.810 63.200 -0.160 0.000 1.046 668 S HN 1.447 nan 8.310 nan 0.000 0.506 669 T N 1.319 115.596 114.554 -0.463 0.000 3.086 669 T HA 0.341 4.691 4.350 -0.000 0.000 0.250 669 T C 0.007 174.644 174.700 -0.105 0.000 1.074 669 T CA -0.068 61.873 62.100 -0.265 0.000 0.988 669 T CB -0.426 68.300 68.868 -0.237 0.000 0.988 669 T HN 0.340 nan 8.240 nan 0.000 0.530 670 F N 1.642 121.597 119.950 0.007 0.000 2.412 670 F HA 0.562 5.089 4.527 -0.000 0.000 0.348 670 F C 0.573 176.381 175.800 0.014 0.000 1.102 670 F CA -2.737 55.272 58.000 0.015 0.000 1.196 670 F CB 0.229 39.240 39.000 0.019 0.000 1.144 670 F HN 0.027 nan 8.300 nan 0.000 0.541 671 I N 3.043 123.746 120.570 0.222 0.000 2.428 671 I HA 0.187 4.357 4.170 -0.000 0.000 0.296 671 I C 0.127 176.310 176.117 0.110 0.000 0.985 671 I CA -0.612 60.764 61.300 0.127 0.000 1.260 671 I CB 0.891 38.946 38.000 0.091 0.000 1.389 671 I HN 0.435 nan 8.210 nan 0.000 0.484 672 D N 4.817 125.266 120.400 0.081 0.000 2.312 672 D HA 0.550 5.190 4.640 -0.000 0.000 0.248 672 D C -0.852 175.475 176.300 0.046 0.000 1.086 672 D CA -0.063 53.974 54.000 0.062 0.000 0.948 672 D CB 2.037 42.867 40.800 0.051 0.000 1.162 672 D HN 0.089 nan 8.370 nan 0.000 0.446 673 L N 1.711 122.953 121.223 0.032 0.000 2.710 673 L HA 0.215 4.555 4.340 -0.000 0.000 0.262 673 L C -1.340 175.537 176.870 0.011 0.000 0.940 673 L CA -0.298 54.555 54.840 0.022 0.000 0.944 673 L CB 1.377 43.450 42.059 0.023 0.000 1.348 673 L HN 0.319 nan 8.230 nan 0.000 0.425 674 N N 6.060 124.765 118.700 0.009 0.000 2.817 674 N HA 0.289 5.029 4.740 -0.000 0.000 0.234 674 N C -0.908 174.602 175.510 -0.001 0.000 1.066 674 N CA -0.627 52.425 53.050 0.004 0.000 0.926 674 N CB 0.549 39.039 38.487 0.006 0.000 1.176 674 N HN 0.409 nan 8.380 nan 0.000 0.506 675 I N 2.566 123.132 120.570 -0.006 0.000 2.474 675 I HA 0.146 4.316 4.170 -0.000 0.000 0.287 675 I C 1.073 177.184 176.117 -0.010 0.000 1.048 675 I CA -0.188 61.106 61.300 -0.010 0.000 1.383 675 I CB 0.980 38.969 38.000 -0.019 0.000 1.412 675 I HN 0.419 nan 8.210 nan 0.000 0.531 676 T N 4.106 118.655 114.554 -0.008 0.000 2.908 676 T HA 0.656 5.006 4.350 -0.000 0.000 0.290 676 T C -0.173 174.523 174.700 -0.007 0.000 1.034 676 T CA -0.963 61.133 62.100 -0.007 0.000 1.010 676 T CB 1.746 70.611 68.868 -0.005 0.000 1.068 676 T HN 0.186 nan 8.240 nan 0.000 0.481 677 M N 2.164 121.760 119.600 -0.006 0.000 2.250 677 M HA 0.460 4.940 4.480 -0.000 0.000 0.344 677 M C -0.331 175.970 176.300 0.001 0.000 1.150 677 M CA -1.855 53.443 55.300 -0.004 0.000 1.147 677 M CB 0.456 33.054 32.600 -0.003 0.000 1.498 677 M HN 0.720 nan 8.290 nan 0.000 0.461 678 L N 3.829 125.055 121.223 0.004 0.000 2.455 678 L HA 0.128 4.468 4.340 -0.000 0.000 0.272 678 L C 0.351 177.231 176.870 0.017 0.000 1.174 678 L CA 0.248 55.093 54.840 0.009 0.000 0.869 678 L CB -0.096 41.971 42.059 0.014 0.000 1.130 678 L HN 0.802 nan 8.230 nan 0.000 0.474 679 E N 3.261 123.471 120.200 0.015 0.000 2.418 679 E HA 0.024 4.374 4.350 -0.000 0.000 0.261 679 E C -0.875 175.754 176.600 0.049 0.000 1.070 679 E CA -0.559 55.856 56.400 0.026 0.000 0.931 679 E CB 0.364 30.079 29.700 0.024 0.000 0.954 679 E HN 0.505 nan 8.360 nan 0.000 0.439 680 D N 1.361 121.789 120.400 0.046 0.000 2.382 680 D HA 0.075 4.715 4.640 -0.000 0.000 0.245 680 D C -0.452 175.896 176.300 0.079 0.000 1.120 680 D CA 0.476 54.511 54.000 0.059 0.000 0.890 680 D CB 0.575 41.393 40.800 0.029 0.000 1.201 680 D HN 0.423 nan 8.370 nan 0.000 0.433 681 H N 1.089 120.121 119.070 -0.063 0.000 2.851 681 H HA 0.237 4.793 4.556 -0.000 0.000 0.372 681 H C -1.121 174.043 175.328 -0.275 0.000 1.158 681 H CA -0.514 55.410 56.048 -0.206 0.000 1.159 681 H CB 1.915 31.490 29.762 -0.312 0.000 1.757 681 H HN 0.353 nan 8.280 nan 0.000 0.546 682 E N 4.092 123.758 120.200 -0.891 0.000 2.129 682 E HA 0.174 4.524 4.350 -0.000 0.000 0.268 682 E C -1.136 175.049 176.600 -0.691 0.000 0.900 682 E CA -0.838 55.238 56.400 -0.540 0.000 0.755 682 E CB 0.827 30.314 29.700 -0.355 0.000 1.117 682 E HN 0.293 nan 8.360 nan 0.000 0.410 683 F N 4.036 123.935 119.950 -0.084 0.000 2.335 683 F HA 0.133 4.660 4.527 -0.000 0.000 0.365 683 F C 0.554 176.343 175.800 -0.019 0.000 1.122 683 F CA -0.861 57.134 58.000 -0.009 0.000 1.151 683 F CB 0.639 39.673 39.000 0.057 0.000 1.282 683 F HN 0.143 nan 8.300 nan 0.000 0.513 684 V N 1.987 121.944 119.914 0.072 0.000 2.732 684 V HA 0.528 4.647 4.120 -0.000 0.000 0.297 684 V C -2.100 174.037 176.094 0.073 0.000 1.060 684 V CA -2.101 60.226 62.300 0.045 0.000 1.038 684 V CB 0.182 32.003 31.823 -0.002 0.000 1.003 684 V HN 0.449 nan 8.190 nan 0.000 0.481 685 P HA 0.460 nan 4.420 nan 0.000 0.266 685 P C -0.928 176.398 177.300 0.043 0.000 1.193 685 P CA -0.012 63.119 63.100 0.051 0.000 0.770 685 P CB 0.427 32.149 31.700 0.037 0.000 0.836 686 L N 1.651 122.900 121.223 0.043 0.000 2.588 686 L HA 0.372 4.712 4.340 -0.000 0.000 0.263 686 L C -1.388 175.496 176.870 0.022 0.000 0.935 686 L CA -0.157 54.701 54.840 0.030 0.000 0.891 686 L CB 1.938 44.018 42.059 0.036 0.000 1.318 686 L HN 0.369 nan 8.230 nan 0.000 0.409 687 E N 3.562 123.767 120.200 0.009 0.000 2.256 687 E HA 0.450 4.800 4.350 -0.000 0.000 0.268 687 E C 0.222 176.795 176.600 -0.044 0.000 0.877 687 E CA -0.862 55.541 56.400 0.005 0.000 0.757 687 E CB 2.435 32.154 29.700 0.030 0.000 1.183 687 E HN 0.403 nan 8.360 nan 0.000 0.418 688 V N 1.814 121.673 119.914 -0.092 0.000 2.216 688 V HA -0.201 3.919 4.120 -0.000 0.000 0.242 688 V C 0.275 176.145 176.094 -0.373 0.000 1.042 688 V CA 1.409 63.542 62.300 -0.278 0.000 0.991 688 V CB -0.434 31.175 31.823 -0.356 0.000 0.633 688 V HN 0.582 nan 8.190 nan 0.000 0.449 689 Y N 0.682 120.995 120.300 0.022 0.000 2.331 689 Y HA 0.477 5.027 4.550 -0.000 0.000 0.338 689 Y C 0.847 176.762 175.900 0.025 0.000 0.976 689 Y CA -0.818 57.293 58.100 0.018 0.000 1.137 689 Y CB 0.921 39.386 38.460 0.008 0.000 1.172 689 Y HN 0.241 nan 8.280 nan 0.000 0.478 690 T N -1.081 113.574 114.554 0.167 0.000 2.748 690 T HA 0.120 4.470 4.350 -0.000 0.000 0.304 690 T C 1.326 176.102 174.700 0.126 0.000 1.041 690 T CA -0.543 61.634 62.100 0.128 0.000 1.033 690 T CB 0.985 69.930 68.868 0.128 0.000 0.995 690 T HN 0.827 nan 8.240 nan 0.000 0.536 691 R N -0.662 119.904 120.500 0.110 0.000 2.096 691 R HA -0.146 4.194 4.340 -0.000 0.000 0.235 691 R C 2.373 178.737 176.300 0.107 0.000 1.127 691 R CA 1.646 57.802 56.100 0.093 0.000 0.968 691 R CB -0.636 29.712 30.300 0.080 0.000 0.861 691 R HN 0.929 nan 8.270 nan 0.000 0.440 692 H N 0.790 119.884 119.070 0.039 0.000 2.293 692 H HA -0.081 4.475 4.556 -0.000 0.000 0.300 692 H C 1.574 176.923 175.328 0.034 0.000 1.082 692 H CA 2.252 58.319 56.048 0.032 0.000 1.308 692 H CB -0.063 29.717 29.762 0.030 0.000 1.375 692 H HN 0.270 nan 8.280 nan 0.000 0.495 693 E N 0.108 120.241 120.200 -0.111 0.000 2.070 693 E HA -0.203 4.147 4.350 -0.000 0.000 0.197 693 E C 2.470 178.976 176.600 -0.156 0.000 1.004 693 E CA 1.623 57.931 56.400 -0.154 0.000 0.805 693 E CB -0.178 29.559 29.700 0.062 0.000 0.744 693 E HN 0.547 nan 8.360 nan 0.000 0.451 694 I N 1.218 121.742 120.570 -0.076 0.000 2.208 694 I HA -0.286 3.884 4.170 -0.000 0.000 0.245 694 I C 2.717 178.778 176.117 -0.094 0.000 1.097 694 I CA 1.044 62.289 61.300 -0.091 0.000 1.363 694 I CB -0.412 37.569 38.000 -0.032 0.000 1.051 694 I HN 0.073 nan 8.210 nan 0.000 0.413 695 K N 1.412 121.765 120.400 -0.079 0.000 2.009 695 K HA -0.275 4.045 4.320 -0.000 0.000 0.210 695 K C 1.268 177.804 176.600 -0.107 0.000 1.049 695 K CA 2.285 58.535 56.287 -0.061 0.000 0.929 695 K CB -0.520 31.977 32.500 -0.004 0.000 0.714 695 K HN 0.241 nan 8.250 nan 0.000 0.440 696 D N 0.331 120.593 120.400 -0.229 0.000 2.348 696 D HA -0.037 4.603 4.640 -0.000 0.000 0.248 696 D C 1.254 177.466 176.300 -0.147 0.000 1.142 696 D CA 0.471 54.340 54.000 -0.219 0.000 0.904 696 D CB 0.117 40.662 40.800 -0.424 0.000 0.901 696 D HN 0.265 nan 8.370 nan 0.000 0.523 697 S N -1.656 113.967 115.700 -0.128 0.000 2.502 697 S HA 0.220 4.690 4.470 -0.000 0.000 0.215 697 S C 1.206 175.757 174.600 -0.082 0.000 1.009 697 S CA -0.156 57.975 58.200 -0.113 0.000 0.908 697 S CB 0.336 63.445 63.200 -0.152 0.000 0.801 697 S HN 0.144 nan 8.310 nan 0.000 0.505 698 G N 1.957 110.719 108.800 -0.063 0.000 2.380 698 G HA2 0.467 4.427 3.960 -0.000 0.000 0.262 698 G HA3 0.467 4.427 3.960 -0.000 0.000 0.262 698 G C 0.516 175.399 174.900 -0.029 0.000 1.243 698 G CA -0.466 44.609 45.100 -0.042 0.000 0.865 698 G HN 0.317 nan 8.290 nan 0.000 0.513 699 L N 2.891 124.098 121.223 -0.025 0.000 1.994 699 L HA 0.176 4.516 4.340 -0.000 0.000 0.208 699 L C 1.097 177.964 176.870 -0.004 0.000 1.071 699 L CA 1.500 56.329 54.840 -0.018 0.000 0.745 699 L CB -0.370 41.677 42.059 -0.020 0.000 0.892 699 L HN 0.428 nan 8.230 nan 0.000 0.431 700 L N 0.177 121.403 121.223 0.004 0.000 2.322 700 L HA 0.292 4.632 4.340 -0.000 0.000 0.281 700 L C -0.964 175.931 176.870 0.042 0.000 1.014 700 L CA -0.631 54.223 54.840 0.024 0.000 0.815 700 L CB 1.565 43.643 42.059 0.031 0.000 1.247 700 L HN 0.051 nan 8.230 nan 0.000 0.421 701 D N 0.659 121.089 120.400 0.049 0.000 2.329 701 D HA 0.079 4.719 4.640 -0.000 0.000 0.232 701 D C 0.509 176.870 176.300 0.103 0.000 1.088 701 D CA -0.324 53.717 54.000 0.068 0.000 0.835 701 D CB 0.926 41.751 40.800 0.041 0.000 1.078 701 D HN 0.377 nan 8.370 nan 0.000 0.495 702 Y N 2.928 123.229 120.300 0.002 0.000 2.274 702 Y HA -0.162 4.388 4.550 -0.000 0.000 0.290 702 Y C 1.816 177.720 175.900 0.007 0.000 1.145 702 Y CA 1.651 59.753 58.100 0.004 0.000 1.203 702 Y CB -0.213 38.251 38.460 0.005 0.000 0.984 702 Y HN 0.415 nan 8.280 nan 0.000 0.533 703 T N 0.149 114.659 114.554 -0.073 0.000 2.812 703 T HA -0.133 4.217 4.350 -0.000 0.000 0.264 703 T C 1.626 176.250 174.700 -0.127 0.000 1.042 703 T CA 1.671 63.678 62.100 -0.154 0.000 1.140 703 T CB -0.124 68.725 68.868 -0.032 0.000 0.870 703 T HN 0.441 nan 8.240 nan 0.000 0.445 704 E N 0.374 120.540 120.200 -0.057 0.000 2.106 704 E HA -0.072 4.278 4.350 -0.000 0.000 0.192 704 E C 2.281 178.853 176.600 -0.048 0.000 0.984 704 E CA 0.810 57.188 56.400 -0.037 0.000 0.806 704 E CB -0.074 29.624 29.700 -0.004 0.000 0.750 704 E HN 0.239 nan 8.360 nan 0.000 0.458 705 V N 1.348 121.228 119.914 -0.057 0.000 2.453 705 V HA -0.215 3.905 4.120 -0.000 0.000 0.247 705 V C 2.311 178.352 176.094 -0.088 0.000 1.048 705 V CA 1.352 63.625 62.300 -0.045 0.000 1.049 705 V CB -0.379 31.439 31.823 -0.008 0.000 0.672 705 V HN 0.227 nan 8.190 nan 0.000 0.457 706 Q N -0.023 119.658 119.800 -0.199 0.000 2.050 706 Q HA -0.197 4.143 4.340 -0.000 0.000 0.202 706 Q C 2.438 178.363 176.000 -0.125 0.000 0.980 706 Q CA 1.555 57.225 55.803 -0.221 0.000 0.840 706 Q CB -0.436 28.041 28.738 -0.435 0.000 0.898 706 Q HN 0.528 nan 8.270 nan 0.000 0.424 707 R N 0.746 121.179 120.500 -0.112 0.000 2.083 707 R HA -0.152 4.188 4.340 -0.000 0.000 0.237 707 R C 2.302 178.578 176.300 -0.039 0.000 1.137 707 R CA 1.605 57.665 56.100 -0.068 0.000 0.951 707 R CB -0.104 30.162 30.300 -0.056 0.000 0.851 707 R HN 0.110 nan 8.270 nan 0.000 0.434 708 R N 0.124 120.608 120.500 -0.026 0.000 2.062 708 R HA -0.091 4.249 4.340 -0.000 0.000 0.231 708 R C 1.950 178.272 176.300 0.037 0.000 1.136 708 R CA 1.830 57.934 56.100 0.006 0.000 0.948 708 R CB -0.249 30.062 30.300 0.019 0.000 0.845 708 R HN 0.216 nan 8.270 nan 0.000 0.430 709 N N 0.957 119.674 118.700 0.027 0.000 2.137 709 N HA -0.191 4.549 4.740 -0.000 0.000 0.190 709 N C 1.326 176.870 175.510 0.057 0.000 1.017 709 N CA 1.413 54.492 53.050 0.047 0.000 0.859 709 N CB -0.132 38.359 38.487 0.006 0.000 1.002 709 N HN 0.438 nan 8.380 nan 0.000 0.428 710 Q N -0.399 119.412 119.800 0.018 0.000 2.444 710 Q HA 0.140 4.480 4.340 -0.000 0.000 0.206 710 Q C 1.055 177.069 176.000 0.023 0.000 0.948 710 Q CA 0.179 55.991 55.803 0.015 0.000 0.946 710 Q CB 0.275 29.003 28.738 -0.016 0.000 1.027 710 Q HN 0.393 nan 8.270 nan 0.000 0.513 711 L N -1.130 120.109 121.223 0.027 0.000 2.607 711 L HA 0.049 4.389 4.340 -0.000 0.000 0.228 711 L C 1.788 178.653 176.870 -0.009 0.000 1.123 711 L CA 0.043 54.875 54.840 -0.013 0.000 0.890 711 L CB -0.056 41.970 42.059 -0.055 0.000 1.103 711 L HN 0.248 nan 8.230 nan 0.000 0.468 712 H N 0.607 119.683 119.070 0.010 0.000 2.352 712 H HA -0.195 4.361 4.556 -0.000 0.000 0.299 712 H C 1.613 176.997 175.328 0.094 0.000 1.097 712 H CA 2.071 58.184 56.048 0.109 0.000 1.311 712 H CB 0.377 30.239 29.762 0.166 0.000 1.377 712 H HN 0.214 nan 8.280 nan 0.000 0.504 713 D N -0.389 120.096 120.400 0.143 0.000 2.249 713 D HA -0.053 4.587 4.640 -0.000 0.000 0.205 713 D C 2.192 178.478 176.300 -0.022 0.000 0.962 713 D CA 0.417 54.469 54.000 0.087 0.000 0.860 713 D CB 0.001 40.860 40.800 0.098 0.000 0.955 713 D HN 0.389 nan 8.370 nan 0.000 0.505 714 L N 0.166 121.352 121.223 -0.063 0.000 2.141 714 L HA -0.046 4.294 4.340 -0.000 0.000 0.209 714 L C 2.420 179.176 176.870 -0.189 0.000 1.094 714 L CA 1.018 55.799 54.840 -0.100 0.000 0.763 714 L CB 0.054 42.060 42.059 -0.088 0.000 0.908 714 L HN -0.106 nan 8.230 nan 0.000 0.437 715 R N -1.524 118.769 120.500 -0.346 0.000 2.128 715 R HA 0.083 4.423 4.340 -0.000 0.000 0.211 715 R C 1.562 177.473 176.300 -0.648 0.000 1.067 715 R CA 0.917 56.643 56.100 -0.623 0.000 1.010 715 R CB 0.111 29.782 30.300 -1.048 0.000 0.922 715 R HN 0.236 nan 8.270 nan 0.000 0.457 716 F N -0.718 119.111 119.950 -0.201 0.000 2.706 716 F HA 0.421 4.948 4.527 -0.000 0.000 0.308 716 F C 0.810 176.546 175.800 -0.107 0.000 1.095 716 F CA -0.596 57.284 58.000 -0.200 0.000 1.244 716 F CB 0.878 39.644 39.000 -0.390 0.000 1.063 716 F HN -0.019 nan 8.300 nan 0.000 0.582 717 A N -0.613 122.239 122.820 0.054 0.000 2.985 717 A HA 0.618 4.938 4.320 -0.000 0.000 0.248 717 A C -1.663 175.931 177.584 0.017 0.000 1.195 717 A CA -0.359 51.710 52.037 0.054 0.000 0.798 717 A CB 0.835 19.884 19.000 0.081 0.000 1.376 717 A HN -0.045 nan 8.150 nan 0.000 0.574 718 D N -0.294 120.116 120.400 0.018 0.000 2.686 718 D HA 0.429 5.069 4.640 -0.000 0.000 0.249 718 D C 0.053 176.355 176.300 0.003 0.000 1.260 718 D CA -0.266 53.735 54.000 0.003 0.000 0.910 718 D CB 1.024 41.824 40.800 -0.001 0.000 1.323 718 D HN 0.544 nan 8.370 nan 0.000 0.561 719 I N -0.051 120.518 120.570 -0.002 0.000 3.883 719 I HA 0.380 4.550 4.170 -0.000 0.000 0.326 719 I C 0.201 176.314 176.117 -0.007 0.000 1.283 719 I CA -0.032 61.268 61.300 0.000 0.000 1.161 719 I CB 0.504 38.505 38.000 0.001 0.000 1.012 719 I HN 0.026 nan 8.210 nan 0.000 0.421 720 D N 0.953 121.346 120.400 -0.012 0.000 2.626 720 D HA 0.095 4.735 4.640 -0.000 0.000 0.274 720 D C 0.470 176.755 176.300 -0.025 0.000 1.045 720 D CA 0.672 54.662 54.000 -0.016 0.000 0.925 720 D CB 0.517 41.309 40.800 -0.014 0.000 1.260 720 D HN 0.160 nan 8.370 nan 0.000 0.490 721 T N 2.087 116.626 114.554 -0.026 0.000 2.793 721 T HA 0.184 4.534 4.350 -0.000 0.000 0.289 721 T C 0.344 175.005 174.700 -0.065 0.000 0.956 721 T CA 0.027 62.105 62.100 -0.037 0.000 1.177 721 T CB 1.239 70.090 68.868 -0.028 0.000 0.897 721 T HN -0.249 nan 8.240 nan 0.000 0.533 722 V N 6.051 125.904 119.914 -0.102 0.000 2.407 722 V HA 0.356 4.476 4.120 -0.000 0.000 0.278 722 V C 0.185 176.093 176.094 -0.310 0.000 1.037 722 V CA -0.799 61.386 62.300 -0.192 0.000 0.900 722 V CB 0.983 32.677 31.823 -0.216 0.000 0.983 722 V HN 0.686 nan 8.190 nan 0.000 0.459 723 I N 5.582 125.973 120.570 -0.297 0.000 2.562 723 I HA 0.725 4.895 4.170 -0.000 0.000 0.301 723 I C -0.149 175.789 176.117 -0.299 0.000 1.003 723 I CA -0.184 60.970 61.300 -0.243 0.000 1.127 723 I CB 1.748 39.704 38.000 -0.073 0.000 1.304 723 I HN 0.930 nan 8.210 nan 0.000 0.446 724 H N 0.000 119.076 119.070 0.010 0.000 2.539 724 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 724 H CA 0.000 56.054 56.048 0.010 0.000 1.023 724 H CB 0.000 29.768 29.762 0.009 0.000 1.292 724 H HN 0.000 nan 8.280 nan 0.000 0.496