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 2wjv_1_A DATA FIRST_RESID 116 DATA SEQUENCE KDLPIHACSY CGIHDPACVV YCNTSKKWFC NGRGNTSGSH IVNHLVRAKC DATA SEQUENCE KEVTLHKDGP LGETVLECYN CGCRNVFLLG FIPAKADSVV VLLCRQPCAS DATA SEQUENCE QSSLKXXXWD SSQWQPLIQD RCFLSWLVKI PSEQEQLRAR QITAQQINKL DATA SEQUENCE EELWKENPSA TLEDLXXXXX DEEPQHVLLR YEDAYQYQNI FGPLVKLEAD DATA SEQUENCE YDKKLKESQT QDNITVRWDL GLNKKRIAYF TLPXXXXXXX LMQGDEICLR DATA SEQUENCE YKGDLAPLWK GIGHVIKVPX XXXDEIAIEX XXXXGAPVEV THNFQVDFVW DATA SEQUENCE KSTSFDRMQS ALKTFAVDET SVSGYIYHKL LGHEVEDVII KCQLPKRFTA DATA SEQUENCE QGLPDLNHSQ VYAVKTVLQR PLSLIQGPPG TGKTVTSATI VYHLARQGNG DATA SEQUENCE PVLVCAPSNI AVDQLTEKIH QTGLKVVRLC AKSREAIDSP VSFLALHNQI DATA SEQUENCE RNMDSMPELQ KLQQLKDETG ELSSADEKRY RALKRTAERE LLMNADVICC DATA SEQUENCE TCVGAGDPRL AKMQFRSILI DESTQATEPE CMVPVVLGAK QLILVGDHCQ DATA SEQUENCE LGPVVMCKKA AKAGLSQSLF ERLVVLGIRP IRLQVQYRMH PALSAFPSNI DATA SEQUENCE FYEGSLQNGV TAADRVKKGF DFQWPQPDKP MFFYVTQGQE EIASSGTSYL DATA SEQUENCE NRTEAANVEK ITTKLLKAGA KPDQIGIITP YEGQRSYLVQ YMQFSGSLHT DATA SEQUENCE KLYQEVEIAS VDAFQGREKD FIILSCVRAN EHQGIGFLND PRRLNVALTR DATA SEQUENCE ARYGVIIVGN PKALSKQPLW NHLLNYYKEQ KVLVEGPLNN LRESLM 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 116 K HA 0.000 nan 4.320 nan 0.000 0.191 116 K C 0.000 176.591 176.600 -0.016 0.000 0.988 116 K CA 0.000 56.276 56.287 -0.018 0.000 0.838 116 K CB 0.000 32.478 32.500 -0.036 0.000 1.064 117 D N 0.283 120.669 120.400 -0.024 0.000 2.539 117 D HA 0.439 5.077 4.640 -0.004 0.000 0.280 117 D C 0.114 176.383 176.300 -0.050 0.000 1.208 117 D CA -0.500 53.490 54.000 -0.016 0.000 1.088 117 D CB 0.476 41.271 40.800 -0.008 0.000 1.149 117 D HN 0.197 nan 8.370 nan 0.000 0.596 118 L N 0.812 122.010 121.223 -0.042 0.000 2.476 118 L HA 0.279 4.617 4.340 -0.004 0.000 0.264 118 L C -1.790 174.955 176.870 -0.208 0.000 1.224 118 L CA -1.337 53.437 54.840 -0.110 0.000 0.821 118 L CB -0.060 41.981 42.059 -0.030 0.000 1.101 118 L HN 0.273 nan 8.230 nan 0.000 0.488 119 P HA 0.157 nan 4.420 nan 0.000 0.274 119 P C 0.816 177.890 177.300 -0.376 0.000 1.256 119 P CA -0.366 62.476 63.100 -0.429 0.000 0.795 119 P CB 0.658 31.897 31.700 -0.768 0.000 1.038 120 I N 0.363 120.779 120.570 -0.257 0.000 2.264 120 I HA -0.245 3.922 4.170 -0.004 0.000 0.248 120 I C 1.867 177.810 176.117 -0.291 0.000 1.111 120 I CA 1.375 62.584 61.300 -0.152 0.000 1.382 120 I CB -0.504 37.484 38.000 -0.020 0.000 1.060 120 I HN 0.499 nan 8.210 nan 0.000 0.418 121 H N -0.088 118.633 119.070 -0.582 0.000 2.538 121 H HA 0.444 4.997 4.556 -0.004 0.000 0.286 121 H C 0.562 175.520 175.328 -0.616 0.000 1.035 121 H CA -0.034 55.292 56.048 -1.202 0.000 1.169 121 H CB -0.614 28.196 29.762 -1.588 0.000 1.417 121 H HN 0.208 nan 8.280 nan 0.000 0.567 122 A N 1.371 123.900 122.820 -0.484 0.000 2.425 122 A HA 0.169 4.486 4.320 -0.004 0.000 0.249 122 A C 0.456 177.965 177.584 -0.126 0.000 1.084 122 A CA -0.255 51.642 52.037 -0.234 0.000 0.781 122 A CB -0.106 18.802 19.000 -0.152 0.000 1.019 122 A HN 0.702 nan 8.150 nan 0.000 0.490 123 C N 2.761 122.027 119.300 -0.057 0.000 2.592 123 C HA 0.184 4.641 4.460 -0.004 0.000 0.408 123 C C 1.756 176.644 174.990 -0.170 0.000 1.436 123 C CA 0.371 59.344 59.018 -0.075 0.000 1.595 123 C CB -1.301 26.494 27.740 0.092 0.000 2.487 123 C HN 0.844 nan 8.230 nan 0.000 0.610 124 S N 3.434 118.851 115.700 -0.472 0.000 2.507 124 S HA -0.049 4.419 4.470 -0.004 0.000 0.235 124 S C 1.107 175.745 174.600 0.064 0.000 0.988 124 S CA 1.217 59.222 58.200 -0.324 0.000 0.944 124 S CB -0.155 62.642 63.200 -0.672 0.000 0.762 124 S HN 0.944 nan 8.310 nan 0.000 0.526 125 Y N -0.160 120.166 120.300 0.043 0.000 2.205 125 Y HA -0.050 4.497 4.550 -0.004 0.000 0.292 125 Y C 2.791 178.620 175.900 -0.118 0.000 1.119 125 Y CA 0.767 58.845 58.100 -0.036 0.000 1.117 125 Y CB -0.146 38.167 38.460 -0.246 0.000 1.037 125 Y HN 0.499 nan 8.280 nan 0.000 0.510 126 C N -1.685 117.666 119.300 0.085 0.000 3.228 126 C HA 0.688 5.145 4.460 -0.004 0.000 0.290 126 C C 1.808 176.790 174.990 -0.012 0.000 1.301 126 C CA 0.087 59.126 59.018 0.034 0.000 1.703 126 C CB 0.191 28.066 27.740 0.225 0.000 2.141 126 C HN 0.812 nan 8.230 nan 0.000 0.656 127 G N 1.697 110.502 108.800 0.009 0.000 2.179 127 G HA2 -0.210 3.748 3.960 -0.004 0.000 0.260 127 G HA3 -0.210 3.748 3.960 -0.004 0.000 0.260 127 G C -0.025 174.898 174.900 0.037 0.000 0.977 127 G CA 0.280 45.396 45.100 0.027 0.000 0.641 127 G HN 0.686 nan 8.290 nan 0.000 0.533 128 I N 2.416 122.993 120.570 0.012 0.000 2.752 128 I HA 0.063 4.230 4.170 -0.004 0.000 0.289 128 I C 1.549 177.623 176.117 -0.072 0.000 1.197 128 I CA 1.258 62.510 61.300 -0.080 0.000 1.432 128 I CB 0.237 38.223 38.000 -0.024 0.000 1.359 128 I HN 0.537 nan 8.210 nan 0.000 0.571 129 H N 3.010 122.036 119.070 -0.074 0.000 2.750 129 H HA 0.203 4.757 4.556 -0.004 0.000 0.252 129 H C -0.206 175.112 175.328 -0.015 0.000 1.176 129 H CA -0.637 55.329 56.048 -0.137 0.000 0.987 129 H CB 0.142 29.689 29.762 -0.358 0.000 1.810 129 H HN 0.482 nan 8.280 nan 0.000 0.630 130 D N 3.492 123.875 120.400 -0.029 0.000 2.412 130 D HA 0.038 4.675 4.640 -0.004 0.000 0.257 130 D C -1.407 174.870 176.300 -0.039 0.000 1.217 130 D CA -2.073 51.925 54.000 -0.004 0.000 0.897 130 D CB 1.714 42.490 40.800 -0.039 0.000 1.132 130 D HN 0.123 nan 8.370 nan 0.000 0.493 131 P HA -0.190 nan 4.420 nan 0.000 0.217 131 P C 0.830 178.087 177.300 -0.071 0.000 1.151 131 P CA 1.711 64.632 63.100 -0.299 0.000 0.849 131 P CB 0.141 31.719 31.700 -0.204 0.000 0.787 132 A N -1.950 120.861 122.820 -0.014 0.000 2.172 132 A HA -0.121 4.196 4.320 -0.004 0.000 0.216 132 A C 1.855 179.459 177.584 0.033 0.000 1.154 132 A CA 1.290 53.343 52.037 0.027 0.000 0.701 132 A CB -1.269 17.747 19.000 0.027 0.000 0.789 132 A HN 0.276 nan 8.150 nan 0.000 0.465 133 C N -1.060 118.253 119.300 0.021 0.000 3.183 133 C HA 0.401 4.859 4.460 -0.004 0.000 0.285 133 C C 0.710 175.734 174.990 0.057 0.000 1.313 133 C CA -0.004 59.032 59.018 0.030 0.000 1.711 133 C CB -1.110 26.640 27.740 0.016 0.000 2.135 133 C HN 0.462 nan 8.230 nan 0.000 0.651 134 V N -0.915 119.056 119.914 0.096 0.000 2.667 134 V HA 0.895 5.013 4.120 -0.004 0.000 0.308 134 V C -0.775 175.546 176.094 0.378 0.000 1.048 134 V CA -0.406 62.027 62.300 0.223 0.000 0.928 134 V CB 1.647 33.587 31.823 0.193 0.000 1.004 134 V HN -0.093 nan 8.190 nan 0.000 0.444 135 V N 4.211 124.343 119.914 0.364 0.000 2.577 135 V HA 0.371 4.489 4.120 -0.004 0.000 0.303 135 V C -1.135 174.972 176.094 0.021 0.000 1.042 135 V CA -0.560 61.813 62.300 0.122 0.000 0.872 135 V CB 1.762 33.448 31.823 -0.230 0.000 0.998 135 V HN 0.921 nan 8.190 nan 0.000 0.423 136 Y N 4.824 124.789 120.300 -0.558 0.000 2.350 136 Y HA 0.431 4.979 4.550 -0.004 0.000 0.340 136 Y C 0.387 176.032 175.900 -0.424 0.000 1.006 136 Y CA -0.535 56.949 58.100 -1.028 0.000 1.166 136 Y CB 0.979 38.500 38.460 -1.564 0.000 1.168 136 Y HN 0.773 nan 8.280 nan 0.000 0.502 137 C N 7.611 126.540 119.300 -0.618 0.000 2.566 137 C HA 0.211 4.668 4.460 -0.004 0.000 0.393 137 C C 1.263 175.831 174.990 -0.703 0.000 1.309 137 C CA -0.284 58.497 59.018 -0.396 0.000 1.801 137 C CB -1.349 26.358 27.740 -0.056 0.000 2.493 137 C HN 1.088 nan 8.230 nan 0.000 0.575 138 N N 2.396 120.868 118.700 -0.380 0.000 2.250 138 N HA -0.095 4.642 4.740 -0.004 0.000 0.181 138 N C 1.577 176.975 175.510 -0.186 0.000 1.017 138 N CA 1.479 54.365 53.050 -0.274 0.000 0.866 138 N CB 0.037 38.483 38.487 -0.069 0.000 0.985 138 N HN 0.752 nan 8.380 nan 0.000 0.429 139 T N 0.129 114.611 114.554 -0.120 0.000 2.668 139 T HA -0.058 4.289 4.350 -0.004 0.000 0.262 139 T C 2.017 176.674 174.700 -0.071 0.000 1.045 139 T CA 1.108 63.171 62.100 -0.061 0.000 1.152 139 T CB -0.250 68.606 68.868 -0.020 0.000 0.864 139 T HN 0.120 nan 8.240 nan 0.000 0.419 140 S N 0.817 116.481 115.700 -0.060 0.000 2.481 140 S HA 0.050 4.517 4.470 -0.004 0.000 0.231 140 S C 0.681 175.189 174.600 -0.153 0.000 0.996 140 S CA 0.297 58.484 58.200 -0.023 0.000 0.942 140 S CB -0.222 63.093 63.200 0.191 0.000 0.768 140 S HN 0.475 nan 8.310 nan 0.000 0.520 141 K N 0.600 120.811 120.400 -0.314 0.000 3.244 141 K HA -0.172 4.145 4.320 -0.004 0.000 0.270 141 K C -0.729 175.741 176.600 -0.217 0.000 1.016 141 K CA 0.720 56.833 56.287 -0.290 0.000 0.754 141 K CB -1.197 31.291 32.500 -0.020 0.000 1.326 141 K HN 0.405 nan 8.250 nan 0.000 0.465 142 K N -0.600 119.539 120.400 -0.435 0.000 2.536 142 K HA 0.481 4.798 4.320 -0.004 0.000 0.269 142 K C -1.090 175.236 176.600 -0.457 0.000 0.965 142 K CA -0.878 55.203 56.287 -0.344 0.000 0.860 142 K CB 1.206 33.412 32.500 -0.490 0.000 1.423 142 K HN 0.037 nan 8.250 nan 0.000 0.438 143 W N 1.028 122.056 121.300 -0.452 0.000 2.578 143 W HA 0.585 5.243 4.660 -0.004 0.000 0.346 143 W C -0.677 175.304 176.519 -0.897 0.000 1.075 143 W CA -0.276 56.867 57.345 -0.336 0.000 1.233 143 W CB 0.849 30.252 29.460 -0.096 0.000 1.358 143 W HN 0.285 nan 8.180 nan 0.000 0.574 144 F N 1.718 121.742 119.950 0.124 0.000 2.596 144 F HA 0.384 4.909 4.527 -0.004 0.000 0.311 144 F C 0.407 176.272 175.800 0.109 0.000 1.116 144 F CA -1.409 56.603 58.000 0.019 0.000 0.957 144 F CB 0.620 39.551 39.000 -0.114 0.000 1.250 144 F HN 0.471 nan 8.300 nan 0.000 0.444 145 C N 0.622 120.100 119.300 0.298 0.000 2.553 145 C HA 0.369 4.827 4.460 -0.004 0.000 0.345 145 C C 0.831 175.916 174.990 0.159 0.000 1.369 145 C CA -0.520 58.615 59.018 0.195 0.000 2.447 145 C CB 0.906 28.742 27.740 0.159 0.000 2.358 145 C HN 0.995 nan 8.230 nan 0.000 0.676 146 N N -0.078 118.662 118.700 0.067 0.000 2.458 146 N HA 0.261 4.998 4.740 -0.004 0.000 0.274 146 N C 0.146 175.655 175.510 -0.002 0.000 1.242 146 N CA -0.017 53.060 53.050 0.045 0.000 0.904 146 N CB 0.017 38.522 38.487 0.030 0.000 1.206 146 N HN 0.979 nan 8.380 nan 0.000 0.510 147 G N 0.087 108.836 108.800 -0.086 0.000 2.400 147 G HA2 0.259 4.217 3.960 -0.004 0.000 0.333 147 G HA3 0.259 4.217 3.960 -0.004 0.000 0.333 147 G C 0.636 175.331 174.900 -0.342 0.000 1.143 147 G CA -0.447 44.554 45.100 -0.166 0.000 0.914 147 G HN 0.271 nan 8.290 nan 0.000 0.480 148 R N 0.788 121.172 120.500 -0.195 0.000 2.119 148 R HA 0.148 4.486 4.340 -0.004 0.000 0.222 148 R C 2.102 178.309 176.300 -0.156 0.000 1.088 148 R CA 0.983 56.996 56.100 -0.145 0.000 0.984 148 R CB -0.272 30.008 30.300 -0.034 0.000 0.884 148 R HN 0.915 nan 8.270 nan 0.000 0.447 149 G N 1.525 110.250 108.800 -0.126 0.000 2.591 149 G HA2 -0.375 3.583 3.960 -0.004 0.000 0.298 149 G HA3 -0.375 3.583 3.960 -0.004 0.000 0.298 149 G C 0.318 175.256 174.900 0.064 0.000 1.195 149 G CA 0.475 45.594 45.100 0.032 0.000 0.989 149 G HN 0.380 nan 8.290 nan 0.000 0.551 150 N N 2.053 120.819 118.700 0.110 0.000 2.336 150 N HA 0.134 4.872 4.740 -0.004 0.000 0.189 150 N C 1.203 176.747 175.510 0.057 0.000 1.113 150 N CA 1.343 54.432 53.050 0.065 0.000 0.858 150 N CB 0.328 38.847 38.487 0.053 0.000 0.970 150 N HN 0.989 nan 8.380 nan 0.000 0.471 151 T N -2.134 112.471 114.554 0.085 0.000 2.910 151 T HA 0.266 4.613 4.350 -0.004 0.000 0.279 151 T C 1.262 175.992 174.700 0.049 0.000 0.989 151 T CA -0.583 61.557 62.100 0.067 0.000 0.968 151 T CB 1.352 70.283 68.868 0.105 0.000 1.135 151 T HN 0.003 nan 8.240 nan 0.000 0.562 152 S N -1.511 114.215 115.700 0.044 0.000 2.605 152 S HA 0.498 4.965 4.470 -0.004 0.000 0.217 152 S C 0.766 175.392 174.600 0.043 0.000 0.958 152 S CA -0.200 58.021 58.200 0.035 0.000 0.919 152 S CB -0.513 62.703 63.200 0.026 0.000 0.780 152 S HN 1.314 nan 8.310 nan 0.000 0.507 153 G N 0.868 109.706 108.800 0.063 0.000 2.677 153 G HA2 0.503 4.460 3.960 -0.004 0.000 0.291 153 G HA3 0.503 4.460 3.960 -0.004 0.000 0.291 153 G C -0.683 174.275 174.900 0.096 0.000 1.435 153 G CA -0.326 44.818 45.100 0.074 0.000 0.826 153 G HN 0.460 nan 8.290 nan 0.000 0.491 154 S N -0.894 114.864 115.700 0.098 0.000 2.576 154 S HA 0.113 4.581 4.470 -0.004 0.000 0.272 154 S C 0.989 175.727 174.600 0.230 0.000 1.352 154 S CA 0.376 58.632 58.200 0.093 0.000 1.021 154 S CB 0.537 63.812 63.200 0.125 0.000 0.887 154 S HN 0.692 nan 8.310 nan 0.000 0.542 155 H N 0.777 119.990 119.070 0.237 0.000 2.389 155 H HA -0.052 4.501 4.556 -0.004 0.000 0.299 155 H C 1.710 177.201 175.328 0.273 0.000 1.081 155 H CA 1.497 57.769 56.048 0.372 0.000 1.345 155 H CB -0.271 29.776 29.762 0.475 0.000 1.393 155 H HN 0.595 nan 8.280 nan 0.000 0.520 156 I N 0.117 120.869 120.570 0.303 0.000 2.226 156 I HA -0.203 3.965 4.170 -0.004 0.000 0.245 156 I C 2.303 178.524 176.117 0.173 0.000 1.100 156 I CA 0.821 62.204 61.300 0.139 0.000 1.374 156 I CB -0.934 37.091 38.000 0.042 0.000 1.057 156 I HN 0.032 nan 8.210 nan 0.000 0.413 157 V N 1.250 121.318 119.914 0.257 0.000 2.358 157 V HA -0.231 3.886 4.120 -0.004 0.000 0.246 157 V C 2.459 178.665 176.094 0.186 0.000 1.047 157 V CA 1.848 64.280 62.300 0.220 0.000 1.035 157 V CB -0.972 30.960 31.823 0.182 0.000 0.658 157 V HN 0.476 nan 8.190 nan 0.000 0.452 158 N N -0.041 118.789 118.700 0.217 0.000 2.060 158 N HA -0.267 4.470 4.740 -0.004 0.000 0.195 158 N C 1.912 177.529 175.510 0.178 0.000 1.028 158 N CA 2.366 55.541 53.050 0.208 0.000 0.861 158 N CB -0.344 38.322 38.487 0.298 0.000 1.029 158 N HN 0.706 nan 8.380 nan 0.000 0.428 159 H N 0.817 119.900 119.070 0.022 0.000 2.326 159 H HA 0.105 4.658 4.556 -0.004 0.000 0.301 159 H C 2.255 177.529 175.328 -0.090 0.000 1.081 159 H CA 1.236 57.171 56.048 -0.188 0.000 1.334 159 H CB -0.366 28.776 29.762 -1.032 0.000 1.385 159 H HN 0.087 nan 8.280 nan 0.000 0.504 160 L N -0.542 120.622 121.223 -0.099 0.000 2.083 160 L HA -0.161 4.177 4.340 -0.004 0.000 0.209 160 L C 2.518 179.436 176.870 0.080 0.000 1.083 160 L CA 1.005 55.849 54.840 0.006 0.000 0.752 160 L CB -0.432 41.745 42.059 0.196 0.000 0.899 160 L HN 0.205 nan 8.230 nan 0.000 0.433 161 V N -0.245 119.733 119.914 0.107 0.000 2.307 161 V HA -0.256 3.862 4.120 -0.004 0.000 0.245 161 V C 2.639 178.707 176.094 -0.044 0.000 1.045 161 V CA 1.772 64.095 62.300 0.038 0.000 1.024 161 V CB -0.552 31.305 31.823 0.057 0.000 0.651 161 V HN 0.395 nan 8.190 nan 0.000 0.449 162 R N 0.095 120.562 120.500 -0.054 0.000 2.057 162 R HA 0.000 4.338 4.340 -0.004 0.000 0.229 162 R C 2.315 178.556 176.300 -0.098 0.000 1.136 162 R CA 1.418 57.481 56.100 -0.061 0.000 0.952 162 R CB -0.582 29.703 30.300 -0.024 0.000 0.848 162 R HN 0.493 nan 8.270 nan 0.000 0.430 163 A N 1.070 123.763 122.820 -0.213 0.000 2.168 163 A HA -0.045 4.272 4.320 -0.004 0.000 0.215 163 A C 0.238 177.731 177.584 -0.152 0.000 1.152 163 A CA 0.398 52.301 52.037 -0.223 0.000 0.716 163 A CB -0.116 18.557 19.000 -0.546 0.000 0.794 163 A HN 0.304 nan 8.150 nan 0.000 0.465 164 K N -1.259 119.063 120.400 -0.131 0.000 3.244 164 K HA -0.173 4.145 4.320 -0.004 0.000 0.270 164 K C -0.665 175.911 176.600 -0.040 0.000 1.016 164 K CA 0.504 56.744 56.287 -0.079 0.000 0.754 164 K CB -2.783 29.671 32.500 -0.077 0.000 1.326 164 K HN 0.570 nan 8.250 nan 0.000 0.465 165 C N -0.046 119.240 119.300 -0.023 0.000 2.358 165 C HA 0.372 4.830 4.460 -0.004 0.000 0.354 165 C C 1.498 176.594 174.990 0.176 0.000 1.183 165 C CA -0.682 58.357 59.018 0.035 0.000 2.150 165 C CB 1.430 29.166 27.740 -0.008 0.000 2.361 165 C HN 0.513 nan 8.230 nan 0.000 0.535 166 K N -0.320 120.170 120.400 0.150 0.000 2.521 166 K HA 0.153 4.470 4.320 -0.004 0.000 0.213 166 K C -0.301 176.345 176.600 0.077 0.000 1.223 166 K CA 0.172 56.578 56.287 0.198 0.000 1.013 166 K CB 0.609 33.251 32.500 0.237 0.000 1.017 166 K HN 0.645 nan 8.250 nan 0.000 0.591 167 E N 2.173 122.401 120.200 0.048 0.000 2.145 167 E HA 0.258 4.605 4.350 -0.004 0.000 0.262 167 E C -0.955 175.644 176.600 -0.001 0.000 0.883 167 E CA -0.706 55.708 56.400 0.023 0.000 0.748 167 E CB 2.190 31.899 29.700 0.014 0.000 1.140 167 E HN -0.029 nan 8.360 nan 0.000 0.417 168 V N -0.001 119.922 119.914 0.015 0.000 3.001 168 V HA 0.771 4.889 4.120 -0.004 0.000 0.314 168 V C -0.450 175.651 176.094 0.011 0.000 1.099 168 V CA -0.447 61.846 62.300 -0.013 0.000 0.989 168 V CB 2.248 34.067 31.823 -0.006 0.000 1.040 168 V HN 0.511 nan 8.190 nan 0.000 0.434 169 T N 3.634 118.190 114.554 0.004 0.000 2.893 169 T HA 0.642 4.989 4.350 -0.004 0.000 0.293 169 T C -0.344 174.386 174.700 0.049 0.000 1.027 169 T CA -0.475 61.648 62.100 0.039 0.000 0.988 169 T CB 1.510 70.416 68.868 0.064 0.000 1.043 169 T HN 0.742 nan 8.240 nan 0.000 0.461 170 L N 1.264 122.545 121.223 0.096 0.000 2.488 170 L HA 0.488 4.825 4.340 -0.004 0.000 0.249 170 L C 0.184 177.222 176.870 0.280 0.000 1.151 170 L CA -0.904 54.043 54.840 0.179 0.000 0.806 170 L CB 0.417 42.555 42.059 0.132 0.000 1.261 170 L HN 0.685 nan 8.230 nan 0.000 0.484 171 H N -0.365 118.840 119.070 0.226 0.000 2.458 171 H HA 0.120 4.674 4.556 -0.004 0.000 0.330 171 H C 0.620 175.970 175.328 0.036 0.000 1.111 171 H CA -0.225 55.931 56.048 0.180 0.000 1.245 171 H CB 1.399 31.160 29.762 -0.001 0.000 1.456 171 H HN 0.448 nan 8.280 nan 0.000 0.488 172 K N 2.238 122.330 120.400 -0.514 0.000 2.052 172 K HA -0.213 4.104 4.320 -0.004 0.000 0.215 172 K C 0.471 176.988 176.600 -0.138 0.000 1.053 172 K CA 2.375 58.478 56.287 -0.307 0.000 0.934 172 K CB 0.019 32.290 32.500 -0.381 0.000 0.717 172 K HN 0.697 nan 8.250 nan 0.000 0.450 173 D N 0.147 120.501 120.400 -0.077 0.000 2.363 173 D HA 0.044 4.681 4.640 -0.004 0.000 0.226 173 D C 0.742 177.093 176.300 0.085 0.000 1.020 173 D CA 0.595 54.626 54.000 0.051 0.000 0.892 173 D CB -0.009 40.835 40.800 0.073 0.000 0.900 173 D HN 0.394 nan 8.370 nan 0.000 0.531 174 G N 1.380 110.251 108.800 0.118 0.000 2.553 174 G HA2 0.231 4.188 3.960 -0.004 0.000 0.278 174 G HA3 0.231 4.188 3.960 -0.004 0.000 0.278 174 G C -1.318 173.620 174.900 0.062 0.000 1.349 174 G CA -0.637 44.516 45.100 0.089 0.000 1.037 174 G HN -0.025 nan 8.290 nan 0.000 0.508 175 P HA 0.008 nan 4.420 nan 0.000 0.216 175 P C 1.848 179.185 177.300 0.063 0.000 1.156 175 P CA 0.294 63.429 63.100 0.059 0.000 0.855 175 P CB 0.124 31.864 31.700 0.066 0.000 0.786 176 L N -1.204 120.066 121.223 0.078 0.000 2.622 176 L HA 0.236 4.574 4.340 -0.004 0.000 0.233 176 L C 1.044 177.952 176.870 0.064 0.000 1.156 176 L CA 1.063 55.953 54.840 0.082 0.000 0.866 176 L CB -1.216 40.907 42.059 0.106 0.000 0.980 176 L HN 0.196 nan 8.230 nan 0.000 0.448 177 G N -0.051 108.778 108.800 0.049 0.000 2.750 177 G HA2 -0.356 3.602 3.960 -0.004 0.000 0.228 177 G HA3 -0.356 3.602 3.960 -0.004 0.000 0.228 177 G C -0.076 174.838 174.900 0.023 0.000 1.367 177 G CA 0.001 45.114 45.100 0.022 0.000 0.871 177 G HN 0.307 nan 8.290 nan 0.000 0.560 178 E N 0.988 121.183 120.200 -0.009 0.000 1.791 178 E HA 0.436 4.784 4.350 -0.004 0.000 0.263 178 E C 0.094 176.707 176.600 0.022 0.000 1.213 178 E CA 0.332 56.730 56.400 -0.004 0.000 0.991 178 E CB -0.462 29.208 29.700 -0.049 0.000 1.068 178 E HN 0.562 nan 8.360 nan 0.000 0.417 179 T N 1.690 116.272 114.554 0.048 0.000 2.792 179 T HA 0.271 4.618 4.350 -0.004 0.000 0.280 179 T C 0.033 174.767 174.700 0.056 0.000 0.990 179 T CA -0.826 61.307 62.100 0.054 0.000 0.960 179 T CB 1.548 70.460 68.868 0.073 0.000 0.939 179 T HN 0.058 nan 8.240 nan 0.000 0.439 180 V N 4.459 124.401 119.914 0.045 0.000 2.585 180 V HA 0.089 4.207 4.120 -0.004 0.000 0.296 180 V C 0.587 176.710 176.094 0.048 0.000 1.035 180 V CA -0.364 61.962 62.300 0.044 0.000 1.084 180 V CB 0.094 31.937 31.823 0.033 0.000 0.953 180 V HN 0.736 nan 8.190 nan 0.000 0.483 181 L N 6.712 127.965 121.223 0.050 0.000 2.361 181 L HA 0.453 4.790 4.340 -0.004 0.000 0.278 181 L C 0.337 177.219 176.870 0.019 0.000 1.113 181 L CA 0.225 55.091 54.840 0.044 0.000 0.849 181 L CB 0.173 42.271 42.059 0.066 0.000 1.155 181 L HN 0.883 nan 8.230 nan 0.000 0.452 182 E N 2.296 122.503 120.200 0.011 0.000 2.390 182 E HA 0.183 4.530 4.350 -0.004 0.000 0.280 182 E C -1.252 175.352 176.600 0.007 0.000 0.992 182 E CA -1.040 55.362 56.400 0.005 0.000 0.790 182 E CB 1.377 31.083 29.700 0.010 0.000 1.248 182 E HN 0.436 nan 8.360 nan 0.000 0.447 183 C N 3.931 123.232 119.300 0.001 0.000 2.662 183 C HA 0.036 4.494 4.460 -0.004 0.000 0.402 183 C C 1.475 176.490 174.990 0.042 0.000 1.397 183 C CA -0.177 58.851 59.018 0.016 0.000 1.575 183 C CB -1.848 25.896 27.740 0.007 0.000 2.406 183 C HN 0.858 nan 8.230 nan 0.000 0.609 184 Y N 4.804 125.070 120.300 -0.056 0.000 2.132 184 Y HA -0.268 4.280 4.550 -0.004 0.000 0.280 184 Y C 2.336 178.209 175.900 -0.045 0.000 1.193 184 Y CA 2.726 60.798 58.100 -0.048 0.000 1.157 184 Y CB -0.319 38.096 38.460 -0.075 0.000 0.966 184 Y HN 0.881 nan 8.280 nan 0.000 0.511 185 N N -0.908 117.810 118.700 0.031 0.000 2.173 185 N HA -0.146 4.591 4.740 -0.004 0.000 0.184 185 N C 1.623 177.094 175.510 -0.065 0.000 1.025 185 N CA 1.757 54.791 53.050 -0.028 0.000 0.852 185 N CB -0.212 38.283 38.487 0.014 0.000 0.998 185 N HN 0.512 nan 8.380 nan 0.000 0.427 186 C N -1.821 117.453 119.300 -0.043 0.000 3.336 186 C HA 0.628 5.086 4.460 -0.004 0.000 0.291 186 C C 1.456 176.423 174.990 -0.038 0.000 1.363 186 C CA 0.308 59.302 59.018 -0.040 0.000 1.737 186 C CB -0.213 27.512 27.740 -0.026 0.000 2.274 186 C HN 0.516 nan 8.230 nan 0.000 0.663 187 G N 0.651 109.426 108.800 -0.042 0.000 2.184 187 G HA2 -0.332 3.625 3.960 -0.004 0.000 0.264 187 G HA3 -0.332 3.625 3.960 -0.004 0.000 0.264 187 G C 0.392 175.283 174.900 -0.015 0.000 0.975 187 G CA 0.401 45.481 45.100 -0.033 0.000 0.642 187 G HN 1.390 nan 8.290 nan 0.000 0.536 188 C N 1.357 120.650 119.300 -0.011 0.000 2.596 188 C HA 0.503 4.960 4.460 -0.004 0.000 0.414 188 C C 1.874 176.866 174.990 0.003 0.000 1.396 188 C CA 0.532 59.550 59.018 -0.002 0.000 1.698 188 C CB -0.350 27.390 27.740 0.000 0.000 2.572 188 C HN 0.526 nan 8.230 nan 0.000 0.604 189 R N 2.810 123.316 120.500 0.010 0.000 2.393 189 R HA 0.111 4.448 4.340 -0.004 0.000 0.244 189 R C 0.263 176.574 176.300 0.019 0.000 0.920 189 R CA -0.246 55.861 56.100 0.013 0.000 1.076 189 R CB -0.207 30.102 30.300 0.016 0.000 1.119 189 R HN 0.674 nan 8.270 nan 0.000 0.524 190 N N 1.813 120.532 118.700 0.030 0.000 2.421 190 N HA -0.041 4.696 4.740 -0.004 0.000 0.260 190 N C 1.375 176.899 175.510 0.022 0.000 1.173 190 N CA -0.027 53.060 53.050 0.063 0.000 0.960 190 N CB 1.066 39.607 38.487 0.091 0.000 1.273 190 N HN -0.003 nan 8.380 nan 0.000 0.497 191 V N 2.089 121.961 119.914 -0.069 0.000 2.546 191 V HA -0.234 3.883 4.120 -0.004 0.000 0.254 191 V C 1.558 177.456 176.094 -0.326 0.000 1.076 191 V CA 1.450 63.600 62.300 -0.250 0.000 1.087 191 V CB -1.233 30.360 31.823 -0.383 0.000 0.674 191 V HN 0.414 nan 8.190 nan 0.000 0.470 192 F N 0.202 120.119 119.950 -0.056 0.000 2.502 192 F HA 0.208 4.732 4.527 -0.004 0.000 0.298 192 F C 1.985 177.797 175.800 0.020 0.000 1.111 192 F CA 1.105 59.082 58.000 -0.038 0.000 1.445 192 F CB -0.274 38.708 39.000 -0.031 0.000 1.081 192 F HN 0.141 nan 8.300 nan 0.000 0.558 193 L N -0.637 120.685 121.223 0.164 0.000 2.585 193 L HA 0.181 4.518 4.340 -0.004 0.000 0.226 193 L C 0.373 177.373 176.870 0.216 0.000 1.113 193 L CA 0.003 54.930 54.840 0.145 0.000 0.876 193 L CB -0.056 42.047 42.059 0.075 0.000 1.072 193 L HN -0.008 nan 8.230 nan 0.000 0.468 194 L N 0.036 121.335 121.223 0.127 0.000 2.375 194 L HA 0.664 5.001 4.340 -0.004 0.000 0.271 194 L C 0.359 177.227 176.870 -0.003 0.000 1.107 194 L CA -0.320 54.559 54.840 0.065 0.000 0.806 194 L CB 1.364 43.356 42.059 -0.112 0.000 1.146 194 L HN -0.012 nan 8.230 nan 0.000 0.447 195 G N 1.104 109.830 108.800 -0.124 0.000 2.576 195 G HA2 0.513 4.471 3.960 -0.004 0.000 0.290 195 G HA3 0.513 4.471 3.960 -0.004 0.000 0.290 195 G C -1.721 172.784 174.900 -0.659 0.000 1.442 195 G CA -0.617 44.019 45.100 -0.774 0.000 0.792 195 G HN 0.216 nan 8.290 nan 0.000 0.491 196 F N -0.094 119.609 119.950 -0.412 0.000 2.379 196 F HA 0.672 5.196 4.527 -0.004 0.000 0.332 196 F C 0.674 176.436 175.800 -0.064 0.000 1.096 196 F CA -0.430 57.500 58.000 -0.117 0.000 1.105 196 F CB 1.841 40.884 39.000 0.071 0.000 1.189 196 F HN 0.448 nan 8.300 nan 0.000 0.515 197 I N 1.195 121.929 120.570 0.274 0.000 2.608 197 I HA 0.680 4.847 4.170 -0.004 0.000 0.295 197 I C -3.018 173.307 176.117 0.348 0.000 1.049 197 I CA -2.676 58.798 61.300 0.289 0.000 1.063 197 I CB 1.832 40.006 38.000 0.290 0.000 1.248 197 I HN 0.142 nan 8.210 nan 0.000 0.424 198 P HA 0.505 nan 4.420 nan 0.000 0.290 198 P C -0.673 176.867 177.300 0.400 0.000 1.283 198 P CA -0.432 62.867 63.100 0.332 0.000 0.869 198 P CB 1.674 33.464 31.700 0.149 0.000 1.100 199 A N 2.872 125.797 122.820 0.175 0.000 2.310 199 A HA 0.255 4.572 4.320 -0.004 0.000 0.260 199 A C 0.240 177.746 177.584 -0.131 0.000 1.112 199 A CA -0.282 51.580 52.037 -0.292 0.000 0.804 199 A CB -0.167 18.339 19.000 -0.823 0.000 1.081 199 A HN 0.471 nan 8.150 nan 0.000 0.499 200 K N 0.068 120.359 120.400 -0.181 0.000 2.227 200 K HA 0.458 4.776 4.320 -0.004 0.000 0.280 200 K C 0.542 177.080 176.600 -0.104 0.000 1.041 200 K CA 0.580 56.809 56.287 -0.095 0.000 0.905 200 K CB 1.081 33.536 32.500 -0.074 0.000 1.068 200 K HN 1.454 nan 8.250 nan 0.000 0.470 201 A N 2.015 124.793 122.820 -0.069 0.000 3.153 201 A HA -0.189 4.128 4.320 -0.004 0.000 0.265 201 A C -0.021 177.516 177.584 -0.078 0.000 1.212 201 A CA 1.566 53.564 52.037 -0.065 0.000 1.018 201 A CB -1.377 17.586 19.000 -0.061 0.000 1.130 201 A HN 0.753 nan 8.150 nan 0.000 0.873 202 D N -1.170 119.172 120.400 -0.097 0.000 2.738 202 D HA 0.632 5.269 4.640 -0.004 0.000 0.237 202 D C 0.098 176.344 176.300 -0.090 0.000 1.123 202 D CA 0.153 54.087 54.000 -0.110 0.000 0.856 202 D CB 1.868 42.564 40.800 -0.173 0.000 1.552 202 D HN -0.013 nan 8.370 nan 0.000 0.480 203 S N 1.242 116.897 115.700 -0.075 0.000 2.582 203 S HA 0.227 4.694 4.470 -0.004 0.000 0.249 203 S C 0.239 174.815 174.600 -0.040 0.000 1.072 203 S CA -0.452 57.709 58.200 -0.065 0.000 1.115 203 S CB -0.101 63.054 63.200 -0.075 0.000 0.790 203 S HN 0.254 nan 8.310 nan 0.000 0.459 204 V N 0.948 120.854 119.914 -0.014 0.000 2.837 204 V HA 0.617 4.735 4.120 -0.004 0.000 0.310 204 V C 0.115 176.331 176.094 0.203 0.000 1.059 204 V CA -0.516 61.829 62.300 0.076 0.000 1.004 204 V CB 1.838 33.710 31.823 0.082 0.000 1.045 204 V HN 0.112 nan 8.190 nan 0.000 0.465 205 V N 2.257 122.329 119.914 0.263 0.000 2.852 205 V HA 0.506 4.624 4.120 -0.004 0.000 0.300 205 V C -0.779 175.472 176.094 0.262 0.000 1.205 205 V CA -0.472 62.004 62.300 0.293 0.000 0.940 205 V CB 2.386 34.268 31.823 0.098 0.000 1.047 205 V HN 0.818 nan 8.190 nan 0.000 0.429 206 V N 2.755 122.764 119.914 0.159 0.000 2.960 206 V HA 0.793 4.910 4.120 -0.004 0.000 0.315 206 V C -0.948 175.185 176.094 0.065 0.000 1.087 206 V CA -1.148 61.130 62.300 -0.036 0.000 0.982 206 V CB 2.117 33.614 31.823 -0.543 0.000 1.039 206 V HN 0.635 nan 8.190 nan 0.000 0.437 207 L N 2.943 124.133 121.223 -0.055 0.000 2.265 207 L HA 0.690 5.027 4.340 -0.004 0.000 0.289 207 L C -0.623 176.194 176.870 -0.088 0.000 1.033 207 L CA 0.129 54.814 54.840 -0.257 0.000 0.814 207 L CB 0.419 42.290 42.059 -0.313 0.000 1.203 207 L HN 0.690 nan 8.230 nan 0.000 0.423 208 L N 3.754 124.962 121.223 -0.025 0.000 2.354 208 L HA 0.562 4.899 4.340 -0.004 0.000 0.264 208 L C -0.422 176.535 176.870 0.145 0.000 1.008 208 L CA -1.085 53.787 54.840 0.055 0.000 0.819 208 L CB 2.042 44.130 42.059 0.049 0.000 1.339 208 L HN 0.617 nan 8.230 nan 0.000 0.420 209 C N -0.435 118.906 119.300 0.068 0.000 2.601 209 C HA 0.303 4.760 4.460 -0.004 0.000 0.409 209 C C 1.787 176.744 174.990 -0.055 0.000 1.293 209 C CA -0.827 58.222 59.018 0.052 0.000 2.101 209 C CB 0.953 28.695 27.740 0.004 0.000 2.639 209 C HN 0.898 nan 8.230 nan 0.000 0.592 210 R N 1.115 121.480 120.500 -0.225 0.000 2.070 210 R HA -0.017 4.320 4.340 -0.004 0.000 0.233 210 R C 0.672 176.739 176.300 -0.387 0.000 1.137 210 R CA 1.638 57.326 56.100 -0.686 0.000 0.945 210 R CB -0.108 29.491 30.300 -1.168 0.000 0.845 210 R HN 0.875 nan 8.270 nan 0.000 0.430 211 Q N -0.440 119.211 119.800 -0.249 0.000 2.353 211 Q HA 0.264 4.601 4.340 -0.004 0.000 0.268 211 Q C -1.754 174.188 176.000 -0.097 0.000 1.045 211 Q CA -1.755 53.954 55.803 -0.157 0.000 0.811 211 Q CB 2.312 30.966 28.738 -0.140 0.000 1.305 211 Q HN 0.122 nan 8.270 nan 0.000 0.447 212 P HA -0.034 nan 4.420 nan 0.000 0.221 212 P C 0.860 178.119 177.300 -0.068 0.000 1.155 212 P CA 0.617 63.676 63.100 -0.068 0.000 0.812 212 P CB 0.207 31.881 31.700 -0.044 0.000 0.801 213 C N 0.827 120.094 119.300 -0.055 0.000 2.392 213 C HA -0.082 4.376 4.460 -0.004 0.000 0.276 213 C C 2.762 177.724 174.990 -0.047 0.000 1.212 213 C CA 1.395 60.389 59.018 -0.040 0.000 1.791 213 C CB -1.960 25.764 27.740 -0.026 0.000 2.063 213 C HN 0.308 nan 8.230 nan 0.000 0.481 214 A N 0.188 122.960 122.820 -0.080 0.000 2.379 214 A HA 0.338 4.655 4.320 -0.004 0.000 0.236 214 A C 0.987 178.513 177.584 -0.096 0.000 1.272 214 A CA 0.521 52.512 52.037 -0.076 0.000 0.886 214 A CB -0.287 18.647 19.000 -0.109 0.000 0.962 214 A HN 0.611 nan 8.150 nan 0.000 0.504 215 S N -0.703 114.944 115.700 -0.089 0.000 2.565 215 S HA 0.289 4.757 4.470 -0.004 0.000 0.274 215 S C 1.002 175.588 174.600 -0.023 0.000 1.309 215 S CA 0.175 58.330 58.200 -0.075 0.000 1.043 215 S CB 1.350 64.504 63.200 -0.077 0.000 0.939 215 S HN 0.423 nan 8.310 nan 0.000 0.504 216 Q N 3.609 123.402 119.800 -0.012 0.000 1.928 216 Q HA -0.234 4.103 4.340 -0.004 0.000 0.223 216 Q C 2.051 178.063 176.000 0.018 0.000 1.042 216 Q CA 3.007 58.817 55.803 0.013 0.000 0.892 216 Q CB -1.372 27.370 28.738 0.008 0.000 1.001 216 Q HN 0.836 nan 8.270 nan 0.000 0.419 217 S N -0.500 115.205 115.700 0.008 0.000 2.374 217 S HA -0.215 4.253 4.470 -0.004 0.000 0.227 217 S C 1.942 176.552 174.600 0.016 0.000 1.037 217 S CA 1.726 59.933 58.200 0.012 0.000 1.024 217 S CB -0.719 62.483 63.200 0.003 0.000 0.861 217 S HN 0.710 nan 8.310 nan 0.000 0.456 218 S N -0.108 115.597 115.700 0.008 0.000 2.423 218 S HA 0.013 4.480 4.470 -0.004 0.000 0.231 218 S C 0.740 175.358 174.600 0.030 0.000 1.014 218 S CA 0.404 58.610 58.200 0.011 0.000 0.965 218 S CB -0.169 63.027 63.200 -0.007 0.000 0.785 218 S HN 0.230 nan 8.310 nan 0.000 0.495 219 L N 0.559 121.808 121.223 0.042 0.000 2.578 219 L HA 0.821 5.158 4.340 -0.004 0.000 0.259 219 L C -0.201 176.731 176.870 0.103 0.000 1.082 219 L CA -0.502 54.386 54.840 0.079 0.000 0.843 219 L CB 1.496 43.606 42.059 0.085 0.000 1.535 219 L HN 0.305 nan 8.230 nan 0.000 0.510 225 D N 0.416 121.022 120.400 0.344 0.000 2.462 225 D HA 0.393 5.030 4.640 -0.004 0.000 0.249 225 D C 0.600 177.034 176.300 0.223 0.000 1.117 225 D CA -0.030 54.101 54.000 0.218 0.000 0.900 225 D CB 1.185 42.081 40.800 0.159 0.000 1.039 225 D HN 0.243 nan 8.370 nan 0.000 0.516 226 S N 0.768 116.581 115.700 0.187 0.000 2.419 226 S HA -0.190 4.277 4.470 -0.004 0.000 0.235 226 S C 2.019 176.721 174.600 0.169 0.000 1.019 226 S CA 1.120 59.418 58.200 0.163 0.000 0.982 226 S CB -0.146 63.110 63.200 0.093 0.000 0.789 226 S HN 0.645 nan 8.310 nan 0.000 0.490 227 S N 0.844 116.631 115.700 0.144 0.000 2.515 227 S HA 0.050 4.517 4.470 -0.004 0.000 0.231 227 S C 1.150 175.849 174.600 0.166 0.000 0.987 227 S CA 0.311 58.590 58.200 0.132 0.000 0.936 227 S CB -0.164 63.093 63.200 0.095 0.000 0.766 227 S HN 0.469 nan 8.310 nan 0.000 0.528 228 Q N 0.173 120.091 119.800 0.197 0.000 2.206 228 Q HA 0.211 4.549 4.340 -0.004 0.000 0.265 228 Q C -1.011 175.140 176.000 0.252 0.000 0.866 228 Q CA -0.530 55.388 55.803 0.192 0.000 1.073 228 Q CB 0.201 29.028 28.738 0.148 0.000 1.165 228 Q HN 0.746 nan 8.270 nan 0.000 0.465 229 W N 1.922 123.281 121.300 0.100 0.000 2.216 229 W HA 0.113 4.770 4.660 -0.004 0.000 0.326 229 W C -0.289 176.295 176.519 0.108 0.000 1.319 229 W CA 0.137 57.542 57.345 0.102 0.000 1.213 229 W CB 0.613 30.108 29.460 0.059 0.000 1.171 229 W HN 0.025 nan 8.180 nan 0.000 0.557 230 Q N 7.987 127.404 119.800 -0.638 0.000 2.292 230 Q HA 0.397 4.735 4.340 -0.004 0.000 0.270 230 Q C -2.443 172.920 176.000 -1.062 0.000 1.024 230 Q CA -2.387 53.093 55.803 -0.538 0.000 0.768 230 Q CB 2.023 30.717 28.738 -0.074 0.000 1.250 230 Q HN 0.156 nan 8.270 nan 0.000 0.447 231 P HA -0.081 nan 4.420 nan 0.000 0.266 231 P C 0.282 177.268 177.300 -0.522 0.000 1.195 231 P CA -0.044 62.569 63.100 -0.812 0.000 0.768 231 P CB 0.688 32.192 31.700 -0.327 0.000 0.838 232 L N 4.380 125.300 121.223 -0.504 0.000 2.013 232 L HA -0.099 4.238 4.340 -0.004 0.000 0.212 232 L C 0.912 177.472 176.870 -0.518 0.000 1.073 232 L CA 1.764 56.319 54.840 -0.475 0.000 0.753 232 L CB -0.423 41.338 42.059 -0.497 0.000 0.890 232 L HN 0.333 nan 8.230 nan 0.000 0.432 233 I N 0.378 120.637 120.570 -0.519 0.000 2.308 233 I HA 0.145 4.313 4.170 -0.004 0.000 0.293 233 I C -0.192 175.779 176.117 -0.243 0.000 1.078 233 I CA -0.117 60.912 61.300 -0.453 0.000 1.292 233 I CB 0.653 38.392 38.000 -0.434 0.000 1.423 233 I HN 0.210 nan 8.210 nan 0.000 0.493 234 Q N 5.436 125.122 119.800 -0.190 0.000 2.337 234 Q HA 0.219 4.556 4.340 -0.004 0.000 0.266 234 Q C -0.473 175.494 176.000 -0.055 0.000 1.023 234 Q CA -0.384 55.355 55.803 -0.107 0.000 0.829 234 Q CB 1.280 29.955 28.738 -0.107 0.000 1.306 234 Q HN 0.456 nan 8.270 nan 0.000 0.449 235 D N 4.210 124.598 120.400 -0.021 0.000 2.720 235 D HA -0.262 4.375 4.640 -0.004 0.000 0.229 235 D C -0.524 175.780 176.300 0.006 0.000 1.198 235 D CA 1.222 55.223 54.000 0.001 0.000 0.639 235 D CB -0.251 40.554 40.800 0.009 0.000 1.003 235 D HN 0.850 nan 8.370 nan 0.000 0.411 236 R N -4.031 116.471 120.500 0.004 0.000 3.953 236 R HA -0.245 4.092 4.340 -0.004 0.000 0.340 236 R C -0.048 176.275 176.300 0.039 0.000 1.195 236 R CA 1.369 57.484 56.100 0.025 0.000 0.929 236 R CB -2.764 27.560 30.300 0.040 0.000 1.402 236 R HN 0.417 nan 8.270 nan 0.000 0.540 237 C N -0.650 118.661 119.300 0.018 0.000 2.848 237 C HA 0.643 5.101 4.460 -0.004 0.000 0.317 237 C C 0.443 175.454 174.990 0.035 0.000 1.260 237 C CA -1.047 58.014 59.018 0.073 0.000 1.656 237 C CB 0.961 28.736 27.740 0.058 0.000 2.174 237 C HN 0.176 nan 8.230 nan 0.000 0.479 238 F N 1.460 121.363 119.950 -0.078 0.000 2.518 238 F HA 0.258 4.783 4.527 -0.004 0.000 0.359 238 F C 0.933 176.633 175.800 -0.167 0.000 1.118 238 F CA -0.149 57.777 58.000 -0.124 0.000 1.287 238 F CB 0.303 39.248 39.000 -0.091 0.000 1.132 238 F HN 0.310 nan 8.300 nan 0.000 0.587 239 L N 3.596 124.726 121.223 -0.155 0.000 2.776 239 L HA -0.206 4.132 4.340 -0.004 0.000 0.283 239 L C 1.676 178.367 176.870 -0.299 0.000 1.194 239 L CA 0.288 54.890 54.840 -0.396 0.000 0.947 239 L CB 0.173 41.757 42.059 -0.791 0.000 1.255 239 L HN 0.953 nan 8.230 nan 0.000 0.481 240 S N 4.596 120.179 115.700 -0.195 0.000 2.387 240 S HA -0.190 4.277 4.470 -0.004 0.000 0.230 240 S C 1.345 175.969 174.600 0.040 0.000 1.035 240 S CA 1.242 59.427 58.200 -0.024 0.000 1.014 240 S CB -0.296 62.939 63.200 0.059 0.000 0.836 240 S HN 0.838 nan 8.310 nan 0.000 0.466 241 W N 0.216 121.529 121.300 0.023 0.000 3.292 241 W HA 0.477 5.135 4.660 -0.004 0.000 0.263 241 W C 1.134 177.654 176.519 0.003 0.000 1.318 241 W CA -0.449 56.891 57.345 -0.008 0.000 1.663 241 W CB -0.629 28.797 29.460 -0.055 0.000 1.114 241 W HN 0.367 nan 8.180 nan 0.000 0.706 242 L N 0.818 122.059 121.223 0.030 0.000 2.588 242 L HA 0.329 4.666 4.340 -0.004 0.000 0.194 242 L C 0.346 177.267 176.870 0.085 0.000 1.070 242 L CA 0.910 55.799 54.840 0.082 0.000 0.852 242 L CB -0.044 42.052 42.059 0.063 0.000 1.199 242 L HN -0.274 nan 8.230 nan 0.000 0.486 243 V N 1.694 121.642 119.914 0.058 0.000 2.357 243 V HA 0.308 4.426 4.120 -0.004 0.000 0.284 243 V C 0.063 176.184 176.094 0.044 0.000 1.018 243 V CA -0.942 61.385 62.300 0.045 0.000 0.841 243 V CB 1.000 32.819 31.823 -0.006 0.000 0.991 243 V HN 0.160 nan 8.190 nan 0.000 0.437 244 K N 4.209 124.638 120.400 0.048 0.000 2.436 244 K HA 0.293 4.611 4.320 -0.004 0.000 0.275 244 K C -0.469 176.151 176.600 0.033 0.000 0.999 244 K CA -0.102 56.212 56.287 0.046 0.000 0.980 244 K CB 0.451 32.975 32.500 0.040 0.000 0.919 244 K HN 0.588 nan 8.250 nan 0.000 0.484 245 I N 6.553 127.142 120.570 0.031 0.000 2.315 245 I HA 0.188 4.356 4.170 -0.004 0.000 0.291 245 I C -1.929 174.194 176.117 0.009 0.000 1.006 245 I CA -2.537 58.775 61.300 0.019 0.000 1.265 245 I CB 1.298 39.310 38.000 0.020 0.000 1.387 245 I HN 0.498 nan 8.210 nan 0.000 0.475 246 P HA 0.001 nan 4.420 nan 0.000 0.265 246 P C -0.082 177.215 177.300 -0.006 0.000 1.193 246 P CA -0.122 62.973 63.100 -0.009 0.000 0.765 246 P CB 0.356 32.045 31.700 -0.018 0.000 0.823 247 S N 1.414 117.111 115.700 -0.004 0.000 2.572 247 S HA -0.036 4.431 4.470 -0.004 0.000 0.267 247 S C 1.253 175.855 174.600 0.003 0.000 1.361 247 S CA -0.268 57.933 58.200 0.002 0.000 1.009 247 S CB 0.510 63.711 63.200 0.002 0.000 0.888 247 S HN 0.571 nan 8.310 nan 0.000 0.553 248 E N 0.129 120.333 120.200 0.007 0.000 2.072 248 E HA -0.177 4.170 4.350 -0.004 0.000 0.191 248 E C 1.955 178.568 176.600 0.022 0.000 0.985 248 E CA 0.996 57.402 56.400 0.010 0.000 0.801 248 E CB -0.119 29.584 29.700 0.005 0.000 0.750 248 E HN 0.641 nan 8.360 nan 0.000 0.452 249 Q N 0.524 120.338 119.800 0.022 0.000 2.096 249 Q HA -0.191 4.146 4.340 -0.004 0.000 0.204 249 Q C 1.916 177.938 176.000 0.037 0.000 0.982 249 Q CA 1.273 57.103 55.803 0.044 0.000 0.850 249 Q CB -0.207 28.555 28.738 0.041 0.000 0.901 249 Q HN 0.444 nan 8.270 nan 0.000 0.422 250 E N 0.461 120.663 120.200 0.004 0.000 2.058 250 E HA -0.203 4.144 4.350 -0.004 0.000 0.194 250 E C 2.137 178.735 176.600 -0.004 0.000 0.997 250 E CA 0.998 57.383 56.400 -0.025 0.000 0.801 250 E CB -0.023 29.653 29.700 -0.041 0.000 0.746 250 E HN 0.450 nan 8.360 nan 0.000 0.450 251 Q N 0.330 120.142 119.800 0.019 0.000 2.079 251 Q HA -0.085 4.253 4.340 -0.004 0.000 0.200 251 Q C 2.388 178.438 176.000 0.085 0.000 0.974 251 Q CA 0.794 56.622 55.803 0.043 0.000 0.840 251 Q CB -0.067 28.687 28.738 0.026 0.000 0.898 251 Q HN 0.312 nan 8.270 nan 0.000 0.430 252 L N 0.321 121.609 121.223 0.107 0.000 2.261 252 L HA -0.167 4.170 4.340 -0.004 0.000 0.216 252 L C 2.451 179.483 176.870 0.270 0.000 1.114 252 L CA 0.806 55.773 54.840 0.211 0.000 0.777 252 L CB -0.283 41.919 42.059 0.238 0.000 0.910 252 L HN 0.153 nan 8.230 nan 0.000 0.440 253 R N -0.016 120.537 120.500 0.088 0.000 2.210 253 R HA 0.169 4.507 4.340 -0.004 0.000 0.203 253 R C 1.024 177.309 176.300 -0.026 0.000 1.010 253 R CA 0.523 56.528 56.100 -0.157 0.000 1.008 253 R CB -0.008 30.116 30.300 -0.294 0.000 0.923 253 R HN 0.260 nan 8.270 nan 0.000 0.469 254 A N 1.154 124.013 122.820 0.065 0.000 2.292 254 A HA 0.171 4.488 4.320 -0.004 0.000 0.265 254 A C 0.200 177.885 177.584 0.167 0.000 1.133 254 A CA -0.322 51.784 52.037 0.115 0.000 0.807 254 A CB 0.205 19.259 19.000 0.089 0.000 1.102 254 A HN 0.177 nan 8.150 nan 0.000 0.502 255 R N 0.068 120.591 120.500 0.039 0.000 2.491 255 R HA 0.087 4.425 4.340 -0.004 0.000 0.283 255 R C -0.683 175.637 176.300 0.033 0.000 1.072 255 R CA -0.091 55.967 56.100 -0.070 0.000 1.048 255 R CB 0.282 30.281 30.300 -0.502 0.000 0.983 255 R HN 0.635 nan 8.270 nan 0.000 0.450 256 Q N 4.755 124.600 119.800 0.076 0.000 2.681 256 Q HA 0.148 4.486 4.340 -0.004 0.000 0.222 256 Q C -0.093 175.928 176.000 0.035 0.000 1.258 256 Q CA -0.061 55.791 55.803 0.082 0.000 1.014 256 Q CB 0.353 29.153 28.738 0.105 0.000 1.384 256 Q HN 0.567 nan 8.270 nan 0.000 0.570 257 I N 1.720 122.292 120.570 0.003 0.000 2.472 257 I HA 0.130 4.297 4.170 -0.004 0.000 0.290 257 I C 0.495 176.580 176.117 -0.053 0.000 1.016 257 I CA -0.078 61.184 61.300 -0.063 0.000 1.348 257 I CB 1.154 39.060 38.000 -0.156 0.000 1.417 257 I HN 0.370 nan 8.210 nan 0.000 0.521 258 T N 3.449 117.960 114.554 -0.072 0.000 2.927 258 T HA 0.487 4.834 4.350 -0.004 0.000 0.281 258 T C 1.124 175.761 174.700 -0.104 0.000 0.998 258 T CA -0.170 61.895 62.100 -0.057 0.000 1.019 258 T CB 1.715 70.559 68.868 -0.040 0.000 1.061 258 T HN 0.695 nan 8.240 nan 0.000 0.518 259 A N 0.511 123.288 122.820 -0.072 0.000 1.903 259 A HA -0.209 4.108 4.320 -0.004 0.000 0.219 259 A C 2.351 179.866 177.584 -0.115 0.000 1.191 259 A CA 2.173 54.157 52.037 -0.087 0.000 0.638 259 A CB -1.240 17.734 19.000 -0.044 0.000 0.823 259 A HN 0.966 nan 8.150 nan 0.000 0.451 260 Q N -0.777 118.969 119.800 -0.090 0.000 2.119 260 Q HA -0.232 4.105 4.340 -0.004 0.000 0.201 260 Q C 2.202 178.131 176.000 -0.118 0.000 0.972 260 Q CA 1.784 57.534 55.803 -0.089 0.000 0.847 260 Q CB -0.156 28.545 28.738 -0.062 0.000 0.903 260 Q HN 0.845 nan 8.270 nan 0.000 0.433 261 Q N 0.025 119.745 119.800 -0.132 0.000 2.119 261 Q HA -0.102 4.236 4.340 -0.004 0.000 0.201 261 Q C 2.166 178.022 176.000 -0.240 0.000 0.972 261 Q CA 1.150 56.861 55.803 -0.154 0.000 0.847 261 Q CB -0.012 28.648 28.738 -0.130 0.000 0.903 261 Q HN 0.436 nan 8.270 nan 0.000 0.433 262 I N 1.155 121.530 120.570 -0.324 0.000 2.226 262 I HA -0.297 3.871 4.170 -0.004 0.000 0.245 262 I C 2.329 178.255 176.117 -0.317 0.000 1.100 262 I CA 0.749 61.754 61.300 -0.491 0.000 1.374 262 I CB -0.380 37.217 38.000 -0.672 0.000 1.057 262 I HN 0.315 nan 8.210 nan 0.000 0.413 263 N N 1.338 119.910 118.700 -0.213 0.000 2.036 263 N HA -0.220 4.517 4.740 -0.004 0.000 0.195 263 N C 1.806 177.228 175.510 -0.147 0.000 1.037 263 N CA 1.728 54.693 53.050 -0.142 0.000 0.855 263 N CB -0.014 38.412 38.487 -0.102 0.000 1.033 263 N HN 0.365 nan 8.380 nan 0.000 0.423 264 K N 0.266 120.573 120.400 -0.155 0.000 2.025 264 K HA -0.106 4.211 4.320 -0.004 0.000 0.207 264 K C 2.020 178.494 176.600 -0.210 0.000 1.049 264 K CA 0.609 56.812 56.287 -0.141 0.000 0.933 264 K CB -0.258 32.176 32.500 -0.110 0.000 0.714 264 K HN 0.048 nan 8.250 nan 0.000 0.438 265 L N 1.914 122.950 121.223 -0.312 0.000 2.042 265 L HA -0.200 4.137 4.340 -0.004 0.000 0.210 265 L C 2.129 178.496 176.870 -0.838 0.000 1.076 265 L CA 1.879 56.388 54.840 -0.552 0.000 0.749 265 L CB -0.388 41.317 42.059 -0.589 0.000 0.893 265 L HN 0.096 nan 8.230 nan 0.000 0.432 266 E N -0.340 119.535 120.200 -0.541 0.000 2.153 266 E HA -0.231 4.116 4.350 -0.004 0.000 0.194 266 E C 2.104 178.666 176.600 -0.064 0.000 0.988 266 E CA 1.401 57.644 56.400 -0.262 0.000 0.811 266 E CB 0.010 29.687 29.700 -0.038 0.000 0.746 266 E HN 0.618 nan 8.360 nan 0.000 0.466 267 E N -0.896 119.245 120.200 -0.098 0.000 2.076 267 E HA -0.062 4.286 4.350 -0.004 0.000 0.190 267 E C 1.657 178.266 176.600 0.015 0.000 0.979 267 E CA 0.430 56.819 56.400 -0.018 0.000 0.807 267 E CB -0.053 29.628 29.700 -0.032 0.000 0.761 267 E HN 0.163 nan 8.360 nan 0.000 0.454 268 L N 0.136 121.333 121.223 -0.044 0.000 2.450 268 L HA -0.133 4.204 4.340 -0.004 0.000 0.224 268 L C 1.067 178.066 176.870 0.214 0.000 1.149 268 L CA 1.148 56.008 54.840 0.035 0.000 0.816 268 L CB -0.125 41.923 42.059 -0.018 0.000 0.932 268 L HN 0.294 nan 8.230 nan 0.000 0.449 269 W N -0.623 120.723 121.300 0.076 0.000 2.737 269 W HA 0.082 4.739 4.660 -0.004 0.000 0.262 269 W C 2.171 178.731 176.519 0.069 0.000 1.282 269 W CA -0.126 57.269 57.345 0.084 0.000 1.386 269 W CB -0.579 28.955 29.460 0.124 0.000 1.099 269 W HN 0.112 nan 8.180 nan 0.000 0.621 270 K N 0.368 120.930 120.400 0.269 0.000 2.362 270 K HA -0.172 4.146 4.320 -0.004 0.000 0.202 270 K C 0.858 177.533 176.600 0.125 0.000 1.045 270 K CA 1.175 57.560 56.287 0.165 0.000 0.936 270 K CB -0.009 32.555 32.500 0.107 0.000 0.747 270 K HN 0.144 nan 8.250 nan 0.000 0.467 271 E N -0.497 119.783 120.200 0.134 0.000 2.904 271 E HA 0.075 4.422 4.350 -0.004 0.000 0.162 271 E C -0.975 175.689 176.600 0.107 0.000 0.909 271 E CA -0.001 56.460 56.400 0.101 0.000 1.368 271 E CB 0.607 30.349 29.700 0.071 0.000 1.007 271 E HN 0.158 nan 8.360 nan 0.000 0.451 272 N N 0.896 119.689 118.700 0.156 0.000 2.664 272 N HA 0.140 4.877 4.740 -0.004 0.000 0.287 272 N C -2.442 173.172 175.510 0.172 0.000 1.869 272 N CA -0.897 52.240 53.050 0.146 0.000 0.832 272 N CB 1.447 40.025 38.487 0.150 0.000 1.293 272 N HN -0.017 nan 8.380 nan 0.000 0.498 273 P HA -0.148 nan 4.420 nan 0.000 0.219 273 P C 1.520 178.637 177.300 -0.305 0.000 1.144 273 P CA 1.256 64.243 63.100 -0.189 0.000 0.806 273 P CB 0.367 31.963 31.700 -0.172 0.000 0.771 274 S N -1.657 113.995 115.700 -0.079 0.000 2.607 274 S HA 0.151 4.618 4.470 -0.004 0.000 0.224 274 S C 0.937 175.580 174.600 0.072 0.000 0.969 274 S CA 0.015 58.191 58.200 -0.040 0.000 0.927 274 S CB -0.863 62.337 63.200 -0.001 0.000 0.772 274 S HN 0.082 nan 8.310 nan 0.000 0.533 275 A N 1.170 124.118 122.820 0.212 0.000 2.366 275 A HA 0.569 4.886 4.320 -0.004 0.000 0.249 275 A C 0.626 178.450 177.584 0.400 0.000 1.084 275 A CA -0.021 52.194 52.037 0.297 0.000 0.794 275 A CB 0.217 19.413 19.000 0.325 0.000 1.034 275 A HN 0.582 nan 8.150 nan 0.000 0.491 276 T N -0.725 113.988 114.554 0.264 0.000 2.888 276 T HA 0.459 4.806 4.350 -0.004 0.000 0.288 276 T C 0.888 175.672 174.700 0.140 0.000 1.063 276 T CA -0.413 61.828 62.100 0.236 0.000 1.010 276 T CB 0.773 69.739 68.868 0.163 0.000 1.214 276 T HN 0.509 nan 8.240 nan 0.000 0.533 277 L N 0.905 122.183 121.223 0.091 0.000 2.017 277 L HA -0.015 4.322 4.340 -0.004 0.000 0.208 277 L C 2.539 179.439 176.870 0.050 0.000 1.073 277 L CA 1.870 56.728 54.840 0.029 0.000 0.745 277 L CB -1.017 41.038 42.059 -0.007 0.000 0.894 277 L HN 0.811 nan 8.230 nan 0.000 0.432 278 E N -0.501 119.745 120.200 0.078 0.000 2.169 278 E HA -0.245 4.103 4.350 -0.004 0.000 0.202 278 E C 0.409 177.059 176.600 0.085 0.000 1.016 278 E CA 1.439 57.900 56.400 0.101 0.000 0.817 278 E CB -0.317 29.466 29.700 0.138 0.000 0.736 278 E HN 0.643 nan 8.360 nan 0.000 0.462 279 D N 0.571 121.022 120.400 0.084 0.000 2.889 279 D HA 0.139 4.777 4.640 -0.004 0.000 0.243 279 D C -0.143 176.191 176.300 0.058 0.000 1.270 279 D CA 0.074 54.120 54.000 0.075 0.000 0.838 279 D CB 0.216 41.070 40.800 0.091 0.000 1.040 279 D HN -0.009 nan 8.370 nan 0.000 0.480 287 E N -0.208 119.995 120.200 0.004 0.000 2.874 287 E HA -0.267 4.081 4.350 -0.004 0.000 0.357 287 E C -0.795 175.805 176.600 -0.001 0.000 1.413 287 E CA 1.330 57.731 56.400 0.002 0.000 1.198 287 E CB -1.109 28.592 29.700 0.003 0.000 1.717 287 E HN 0.163 nan 8.360 nan 0.000 0.543 288 E N 2.025 122.225 120.200 -0.001 0.000 2.214 288 E HA 0.447 4.794 4.350 -0.004 0.000 0.274 288 E C -2.300 174.295 176.600 -0.008 0.000 0.977 288 E CA -1.376 55.021 56.400 -0.005 0.000 0.827 288 E CB 1.293 30.993 29.700 -0.000 0.000 1.130 288 E HN 0.259 nan 8.360 nan 0.000 0.394 289 P HA 0.132 nan 4.420 nan 0.000 0.277 289 P C -0.990 176.295 177.300 -0.026 0.000 1.240 289 P CA -0.576 62.508 63.100 -0.026 0.000 0.798 289 P CB 0.807 32.480 31.700 -0.046 0.000 0.979 290 Q N 1.405 121.192 119.800 -0.022 0.000 2.337 290 Q HA -0.001 4.336 4.340 -0.004 0.000 0.270 290 Q C -0.408 175.576 176.000 -0.027 0.000 1.002 290 Q CA 0.327 56.124 55.803 -0.010 0.000 0.888 290 Q CB 0.030 28.763 28.738 -0.007 0.000 1.222 290 Q HN 0.517 nan 8.270 nan 0.000 0.400 291 H N 1.899 120.917 119.070 -0.087 0.000 2.707 291 H HA 0.277 4.830 4.556 -0.004 0.000 0.359 291 H C -0.528 174.709 175.328 -0.152 0.000 1.113 291 H CA -0.500 55.486 56.048 -0.104 0.000 1.422 291 H CB 0.699 30.417 29.762 -0.074 0.000 1.443 291 H HN 0.509 nan 8.280 nan 0.000 0.591 292 V N 6.360 126.267 119.914 -0.011 0.000 2.617 292 V HA -0.091 4.027 4.120 -0.004 0.000 0.304 292 V C 0.490 176.614 176.094 0.049 0.000 1.040 292 V CA 0.475 62.722 62.300 -0.087 0.000 1.149 292 V CB -0.206 31.529 31.823 -0.146 0.000 0.914 292 V HN 0.515 nan 8.190 nan 0.000 0.487 293 L N 4.968 126.126 121.223 -0.108 0.000 2.431 293 L HA 0.390 4.727 4.340 -0.004 0.000 0.260 293 L C 1.086 177.855 176.870 -0.169 0.000 1.098 293 L CA -0.552 54.116 54.840 -0.287 0.000 0.800 293 L CB 0.698 42.351 42.059 -0.676 0.000 1.210 293 L HN 0.499 nan 8.230 nan 0.000 0.465 294 L N -0.169 120.973 121.223 -0.136 0.000 2.145 294 L HA 0.150 4.487 4.340 -0.004 0.000 0.201 294 L C 0.994 177.881 176.870 0.029 0.000 1.075 294 L CA 0.716 55.567 54.840 0.018 0.000 0.773 294 L CB -0.043 42.022 42.059 0.010 0.000 0.936 294 L HN 0.497 nan 8.230 nan 0.000 0.451 295 R N -0.945 119.487 120.500 -0.112 0.000 2.474 295 R HA 0.450 4.787 4.340 -0.004 0.000 0.295 295 R C -1.628 174.548 176.300 -0.205 0.000 0.980 295 R CA -0.414 55.674 56.100 -0.021 0.000 0.934 295 R CB 1.252 31.570 30.300 0.031 0.000 1.101 295 R HN -0.118 nan 8.270 nan 0.000 0.469 296 Y N 0.507 120.895 120.300 0.147 0.000 2.446 296 Y HA 0.165 4.713 4.550 -0.004 0.000 0.345 296 Y C 1.075 177.123 175.900 0.246 0.000 0.984 296 Y CA -0.820 57.384 58.100 0.174 0.000 1.058 296 Y CB 1.859 40.443 38.460 0.207 0.000 1.220 296 Y HN 0.544 nan 8.280 nan 0.000 0.455 297 E N 1.408 121.807 120.200 0.330 0.000 2.085 297 E HA -0.135 4.213 4.350 -0.004 0.000 0.194 297 E C -0.306 176.502 176.600 0.346 0.000 0.994 297 E CA 1.812 58.383 56.400 0.284 0.000 0.801 297 E CB -0.058 29.753 29.700 0.186 0.000 0.743 297 E HN 0.916 nan 8.360 nan 0.000 0.453 298 D N -3.637 116.947 120.400 0.305 0.000 2.792 298 D HA 0.331 4.969 4.640 -0.004 0.000 0.335 298 D C -0.087 176.256 176.300 0.072 0.000 1.353 298 D CA -0.042 54.100 54.000 0.237 0.000 0.839 298 D CB 0.195 41.211 40.800 0.359 0.000 1.396 298 D HN -0.119 nan 8.370 nan 0.000 0.479 299 A N -1.313 121.434 122.820 -0.121 0.000 2.167 299 A HA 0.078 4.395 4.320 -0.004 0.000 0.214 299 A C 1.229 178.751 177.584 -0.103 0.000 1.151 299 A CA 0.636 52.422 52.037 -0.417 0.000 0.735 299 A CB -1.029 17.233 19.000 -1.230 0.000 0.802 299 A HN 0.527 nan 8.150 nan 0.000 0.467 300 Y N -0.434 119.895 120.300 0.048 0.000 2.263 300 Y HA -0.185 4.362 4.550 -0.004 0.000 0.292 300 Y C 2.644 178.632 175.900 0.146 0.000 1.130 300 Y CA 1.814 59.973 58.100 0.099 0.000 1.179 300 Y CB -0.238 38.277 38.460 0.091 0.000 0.998 300 Y HN 0.439 nan 8.280 nan 0.000 0.532 301 Q N -0.795 119.212 119.800 0.346 0.000 2.119 301 Q HA -0.257 4.080 4.340 -0.004 0.000 0.201 301 Q C 2.024 178.237 176.000 0.354 0.000 0.972 301 Q CA 1.556 57.551 55.803 0.321 0.000 0.847 301 Q CB -0.397 28.545 28.738 0.339 0.000 0.903 301 Q HN 0.623 nan 8.270 nan 0.000 0.433 302 Y N 1.152 121.551 120.300 0.164 0.000 2.165 302 Y HA -0.299 4.248 4.550 -0.004 0.000 0.286 302 Y C 2.398 178.405 175.900 0.177 0.000 1.155 302 Y CA 2.322 60.413 58.100 -0.015 0.000 1.164 302 Y CB -0.051 38.288 38.460 -0.201 0.000 0.978 302 Y HN 0.220 nan 8.280 nan 0.000 0.513 303 Q N -0.189 119.792 119.800 0.303 0.000 2.123 303 Q HA -0.197 4.140 4.340 -0.004 0.000 0.199 303 Q C 1.767 177.870 176.000 0.171 0.000 0.966 303 Q CA 1.411 57.353 55.803 0.232 0.000 0.845 303 Q CB -0.208 28.635 28.738 0.175 0.000 0.907 303 Q HN 0.433 nan 8.270 nan 0.000 0.439 304 N N 0.401 119.203 118.700 0.170 0.000 2.364 304 N HA -0.087 4.651 4.740 -0.004 0.000 0.183 304 N C 1.576 177.134 175.510 0.080 0.000 1.022 304 N CA 0.926 54.054 53.050 0.130 0.000 0.883 304 N CB 0.049 38.621 38.487 0.143 0.000 0.965 304 N HN 0.383 nan 8.380 nan 0.000 0.438 305 I N -1.257 119.347 120.570 0.056 0.000 2.512 305 I HA -0.078 4.090 4.170 -0.004 0.000 0.247 305 I C 1.417 177.423 176.117 -0.184 0.000 1.094 305 I CA 0.451 61.707 61.300 -0.072 0.000 1.427 305 I CB -0.139 37.825 38.000 -0.061 0.000 1.149 305 I HN -0.092 nan 8.210 nan 0.000 0.438 306 F N 1.128 121.008 119.950 -0.117 0.000 2.206 306 F HA -0.034 4.491 4.527 -0.004 0.000 0.298 306 F C 2.535 178.316 175.800 -0.031 0.000 1.090 306 F CA 1.263 59.189 58.000 -0.125 0.000 1.323 306 F CB -0.912 37.926 39.000 -0.270 0.000 1.028 306 F HN 0.025 nan 8.300 nan 0.000 0.492 307 G N 1.026 109.927 108.800 0.168 0.000 2.553 307 G HA2 -0.265 3.692 3.960 -0.004 0.000 0.218 307 G HA3 -0.265 3.692 3.960 -0.004 0.000 0.218 307 G C -0.712 174.249 174.900 0.102 0.000 1.195 307 G CA 1.010 46.191 45.100 0.136 0.000 0.779 307 G HN 0.224 nan 8.290 nan 0.000 0.577 308 P HA -0.042 nan 4.420 nan 0.000 0.215 308 P C 2.112 179.433 177.300 0.034 0.000 1.153 308 P CA 0.752 63.876 63.100 0.041 0.000 0.853 308 P CB -0.130 31.580 31.700 0.018 0.000 0.788 309 L N -1.349 119.892 121.223 0.029 0.000 2.056 309 L HA -0.132 4.205 4.340 -0.004 0.000 0.207 309 L C 2.359 179.279 176.870 0.084 0.000 1.078 309 L CA 1.297 56.153 54.840 0.026 0.000 0.749 309 L CB -1.161 40.894 42.059 -0.007 0.000 0.901 309 L HN -0.134 nan 8.230 nan 0.000 0.433 310 V N 0.089 120.087 119.914 0.140 0.000 2.392 310 V HA -0.307 3.811 4.120 -0.004 0.000 0.249 310 V C 2.604 178.781 176.094 0.138 0.000 1.059 310 V CA 1.694 64.109 62.300 0.192 0.000 1.051 310 V CB -0.582 31.373 31.823 0.220 0.000 0.658 310 V HN 0.432 nan 8.190 nan 0.000 0.455 311 K N -0.253 120.200 120.400 0.089 0.000 2.147 311 K HA -0.125 4.192 4.320 -0.004 0.000 0.205 311 K C 2.099 178.694 176.600 -0.009 0.000 1.049 311 K CA 1.304 57.615 56.287 0.039 0.000 0.936 311 K CB -0.144 32.382 32.500 0.043 0.000 0.722 311 K HN 0.417 nan 8.250 nan 0.000 0.446 312 L N 0.739 121.966 121.223 0.006 0.000 2.027 312 L HA -0.157 4.181 4.340 -0.004 0.000 0.206 312 L C 2.527 179.398 176.870 0.002 0.000 1.074 312 L CA 1.081 55.919 54.840 -0.003 0.000 0.745 312 L CB -0.368 41.684 42.059 -0.012 0.000 0.898 312 L HN 0.163 nan 8.230 nan 0.000 0.433 313 E N 0.173 120.383 120.200 0.015 0.000 2.077 313 E HA -0.212 4.135 4.350 -0.004 0.000 0.193 313 E C 2.209 178.706 176.600 -0.172 0.000 0.989 313 E CA 1.400 57.832 56.400 0.053 0.000 0.800 313 E CB -0.079 29.753 29.700 0.220 0.000 0.746 313 E HN 0.464 nan 8.360 nan 0.000 0.452 314 A N 1.630 124.156 122.820 -0.490 0.000 1.855 314 A HA -0.188 4.129 4.320 -0.004 0.000 0.215 314 A C 1.827 179.145 177.584 -0.445 0.000 1.191 314 A CA 1.838 53.298 52.037 -0.961 0.000 0.613 314 A CB -0.429 18.186 19.000 -0.642 0.000 0.829 314 A HN 0.079 nan 8.150 nan 0.000 0.442 315 D N -1.954 118.285 120.400 -0.268 0.000 2.178 315 D HA -0.113 4.524 4.640 -0.004 0.000 0.202 315 D C 1.610 177.764 176.300 -0.244 0.000 0.974 315 D CA 1.294 55.136 54.000 -0.263 0.000 0.841 315 D CB -0.359 40.359 40.800 -0.136 0.000 0.953 315 D HN 0.643 nan 8.370 nan 0.000 0.478 316 Y N 1.272 121.434 120.300 -0.231 0.000 2.153 316 Y HA -0.175 4.372 4.550 -0.005 0.000 0.289 316 Y C 2.035 177.829 175.900 -0.176 0.000 1.127 316 Y CA 1.753 59.755 58.100 -0.163 0.000 1.131 316 Y CB -0.196 38.211 38.460 -0.090 0.000 0.995 316 Y HN -0.173 nan 8.280 nan 0.000 0.505 317 D N 0.212 120.599 120.400 -0.022 0.000 2.106 317 D HA -0.275 4.363 4.640 -0.004 0.000 0.191 317 D C 2.186 178.294 176.300 -0.319 0.000 0.997 317 D CA 2.052 56.054 54.000 0.004 0.000 0.834 317 D CB -0.298 40.700 40.800 0.330 0.000 0.956 317 D HN 0.341 nan 8.370 nan 0.000 0.448 318 K N 0.157 120.066 120.400 -0.819 0.000 2.063 318 K HA -0.225 4.092 4.320 -0.004 0.000 0.208 318 K C 2.145 178.335 176.600 -0.684 0.000 1.048 318 K CA 1.356 56.789 56.287 -1.424 0.000 0.928 318 K CB -0.085 31.275 32.500 -1.899 0.000 0.713 318 K HN 0.027 nan 8.250 nan 0.000 0.442 319 K N 0.277 120.358 120.400 -0.531 0.000 2.057 319 K HA -0.134 4.183 4.320 -0.004 0.000 0.206 319 K C 2.149 178.543 176.600 -0.343 0.000 1.050 319 K CA 0.897 56.953 56.287 -0.385 0.000 0.935 319 K CB -0.084 32.198 32.500 -0.363 0.000 0.715 319 K HN 0.076 nan 8.250 nan 0.000 0.439 320 L N 1.714 122.683 121.223 -0.423 0.000 1.976 320 L HA -0.139 4.199 4.340 -0.004 0.000 0.209 320 L C 1.994 178.746 176.870 -0.196 0.000 1.071 320 L CA 1.891 56.530 54.840 -0.335 0.000 0.746 320 L CB -0.609 41.225 42.059 -0.375 0.000 0.890 320 L HN -0.021 nan 8.230 nan 0.000 0.432 321 K N 0.076 120.387 120.400 -0.148 0.000 2.089 321 K HA -0.208 4.109 4.320 -0.004 0.000 0.210 321 K C 1.968 178.578 176.600 0.018 0.000 1.048 321 K CA 2.044 58.311 56.287 -0.034 0.000 0.926 321 K CB -0.184 32.398 32.500 0.137 0.000 0.714 321 K HN 0.497 nan 8.250 nan 0.000 0.448 322 E N -0.898 119.273 120.200 -0.049 0.000 2.481 322 E HA -0.043 4.305 4.350 -0.004 0.000 0.195 322 E C 1.233 177.825 176.600 -0.013 0.000 1.047 322 E CA 0.766 57.160 56.400 -0.009 0.000 0.867 322 E CB 0.265 29.925 29.700 -0.066 0.000 0.858 322 E HN 0.369 nan 8.360 nan 0.000 0.513 323 S N -0.418 115.253 115.700 -0.049 0.000 2.503 323 S HA 0.002 4.469 4.470 -0.004 0.000 0.215 323 S C 1.676 176.279 174.600 0.003 0.000 1.003 323 S CA -0.131 58.047 58.200 -0.037 0.000 0.910 323 S CB 0.189 63.339 63.200 -0.085 0.000 0.790 323 S HN 0.132 nan 8.310 nan 0.000 0.514 324 Q N 1.486 121.292 119.800 0.011 0.000 2.369 324 Q HA 0.047 4.385 4.340 -0.004 0.000 0.206 324 Q C 0.752 176.931 176.000 0.297 0.000 0.963 324 Q CA 0.736 56.563 55.803 0.040 0.000 0.894 324 Q CB -0.367 28.173 28.738 -0.330 0.000 0.965 324 Q HN 0.568 nan 8.270 nan 0.000 0.475 325 T N 1.297 116.019 114.554 0.281 0.000 2.905 325 T HA -0.077 4.270 4.350 -0.004 0.000 0.299 325 T C -0.293 174.489 174.700 0.137 0.000 1.024 325 T CA 0.372 62.603 62.100 0.218 0.000 1.151 325 T CB 0.364 69.301 68.868 0.114 0.000 0.987 325 T HN 0.064 nan 8.240 nan 0.000 0.535 326 Q N 3.449 123.306 119.800 0.095 0.000 2.394 326 Q HA 0.300 4.637 4.340 -0.004 0.000 0.273 326 Q C -0.173 175.837 176.000 0.016 0.000 1.089 326 Q CA -0.708 55.136 55.803 0.067 0.000 0.812 326 Q CB 2.283 31.081 28.738 0.100 0.000 1.353 326 Q HN 0.744 nan 8.270 nan 0.000 0.438 327 D N 0.532 120.944 120.400 0.020 0.000 2.468 327 D HA 0.012 4.649 4.640 -0.004 0.000 0.243 327 D C -0.135 176.167 176.300 0.003 0.000 0.994 327 D CA 0.735 54.737 54.000 0.003 0.000 0.932 327 D CB 0.396 41.198 40.800 0.003 0.000 1.078 327 D HN 0.372 nan 8.370 nan 0.000 0.473 328 N N 0.669 119.382 118.700 0.022 0.000 3.044 328 N HA 0.209 4.946 4.740 -0.004 0.000 0.254 328 N C -1.121 174.434 175.510 0.075 0.000 1.253 328 N CA -0.257 52.817 53.050 0.039 0.000 0.944 328 N CB 0.869 39.378 38.487 0.036 0.000 1.217 328 N HN -0.015 nan 8.380 nan 0.000 0.498 329 I N 1.054 121.670 120.570 0.077 0.000 2.412 329 I HA 0.231 4.398 4.170 -0.004 0.000 0.296 329 I C 0.732 176.926 176.117 0.128 0.000 0.987 329 I CA -0.544 60.800 61.300 0.074 0.000 1.180 329 I CB 1.403 39.377 38.000 -0.043 0.000 1.340 329 I HN 0.149 nan 8.210 nan 0.000 0.455 330 T N 5.751 120.372 114.554 0.111 0.000 2.729 330 T HA 0.424 4.771 4.350 -0.004 0.000 0.296 330 T C 0.261 174.926 174.700 -0.059 0.000 0.928 330 T CA -0.236 61.898 62.100 0.057 0.000 1.045 330 T CB 0.720 69.620 68.868 0.053 0.000 0.902 330 T HN 0.248 nan 8.240 nan 0.000 0.500 331 V N 5.403 125.168 119.914 -0.249 0.000 2.612 331 V HA 0.594 4.712 4.120 -0.004 0.000 0.301 331 V C 0.379 176.143 176.094 -0.550 0.000 1.046 331 V CA -0.909 61.058 62.300 -0.554 0.000 0.946 331 V CB 1.719 32.734 31.823 -1.347 0.000 1.003 331 V HN 0.744 nan 8.190 nan 0.000 0.459 332 R N 1.564 121.750 120.500 -0.522 0.000 2.912 332 R HA 0.593 4.930 4.340 -0.004 0.000 0.262 332 R C -1.824 174.194 176.300 -0.469 0.000 1.057 332 R CA -0.690 55.182 56.100 -0.379 0.000 0.981 332 R CB 2.238 32.465 30.300 -0.122 0.000 1.201 332 R HN 0.645 nan 8.270 nan 0.000 0.484 333 W N -0.321 121.020 121.300 0.069 0.000 2.820 333 W HA 0.336 4.994 4.660 -0.004 0.000 0.350 333 W C -0.517 176.100 176.519 0.163 0.000 1.116 333 W CA -0.410 56.996 57.345 0.102 0.000 1.146 333 W CB 1.176 30.626 29.460 -0.016 0.000 1.433 333 W HN 0.354 nan 8.180 nan 0.000 0.561 334 D N 0.846 121.527 120.400 0.469 0.000 2.192 334 D HA 0.408 5.045 4.640 -0.004 0.000 0.246 334 D C -0.275 176.145 176.300 0.200 0.000 1.042 334 D CA -0.514 53.671 54.000 0.308 0.000 0.847 334 D CB 1.104 42.116 40.800 0.353 0.000 1.186 334 D HN 0.275 nan 8.370 nan 0.000 0.461 335 L N 2.047 123.342 121.223 0.120 0.000 2.714 335 L HA 0.037 4.374 4.340 -0.004 0.000 0.301 335 L C 1.699 178.601 176.870 0.054 0.000 1.248 335 L CA 0.180 55.058 54.840 0.063 0.000 0.885 335 L CB 0.035 42.119 42.059 0.041 0.000 1.143 335 L HN 0.597 nan 8.230 nan 0.000 0.500 336 G N 3.864 112.674 108.800 0.017 0.000 3.374 336 G HA2 0.249 4.206 3.960 -0.004 0.000 0.252 336 G HA3 0.249 4.206 3.960 -0.004 0.000 0.252 336 G C 1.115 176.020 174.900 0.008 0.000 1.326 336 G CA -0.370 44.734 45.100 0.007 0.000 1.133 336 G HN 0.640 nan 8.290 nan 0.000 0.528 337 L N -0.469 120.765 121.223 0.017 0.000 2.217 337 L HA 0.029 4.366 4.340 -0.004 0.000 0.211 337 L C 1.648 178.530 176.870 0.020 0.000 1.107 337 L CA 0.409 55.257 54.840 0.015 0.000 0.783 337 L CB -0.054 42.015 42.059 0.016 0.000 0.919 337 L HN 0.117 nan 8.230 nan 0.000 0.442 338 N N 0.526 119.244 118.700 0.030 0.000 2.375 338 N HA -0.002 4.735 4.740 -0.004 0.000 0.220 338 N C 0.524 176.052 175.510 0.030 0.000 1.170 338 N CA 0.092 53.161 53.050 0.032 0.000 0.833 338 N CB 0.350 38.863 38.487 0.043 0.000 1.069 338 N HN 0.292 nan 8.380 nan 0.000 0.479 339 K N -0.147 120.266 120.400 0.022 0.000 11.208 339 K HA -0.282 4.035 4.320 -0.004 0.000 0.528 339 K C 0.024 176.640 176.600 0.028 0.000 0.393 339 K CA 1.728 58.028 56.287 0.020 0.000 1.921 339 K CB -1.013 31.498 32.500 0.020 0.000 0.787 339 K HN 0.281 nan 8.250 nan 0.000 1.252 340 K N 2.858 123.281 120.400 0.039 0.000 2.202 340 K HA 0.236 4.554 4.320 -0.004 0.000 0.264 340 K C 0.259 176.898 176.600 0.064 0.000 1.010 340 K CA -0.097 56.222 56.287 0.054 0.000 0.940 340 K CB 0.678 33.214 32.500 0.060 0.000 0.983 340 K HN 0.213 nan 8.250 nan 0.000 0.475 341 R N 1.511 122.062 120.500 0.085 0.000 2.720 341 R HA 0.514 4.851 4.340 -0.004 0.000 0.272 341 R C -0.038 176.336 176.300 0.124 0.000 0.991 341 R CA -0.836 55.332 56.100 0.113 0.000 1.010 341 R CB 1.048 31.416 30.300 0.114 0.000 1.141 341 R HN 0.473 nan 8.270 nan 0.000 0.494 342 I N 0.775 121.418 120.570 0.121 0.000 2.525 342 I HA 0.528 4.696 4.170 -0.004 0.000 0.301 342 I C -0.267 175.776 176.117 -0.124 0.000 0.992 342 I CA -0.914 60.350 61.300 -0.060 0.000 1.162 342 I CB 2.046 39.951 38.000 -0.158 0.000 1.332 342 I HN 0.600 nan 8.210 nan 0.000 0.458 343 A N 5.254 127.825 122.820 -0.415 0.000 2.374 343 A HA 0.777 5.094 4.320 -0.004 0.000 0.305 343 A C -1.638 175.595 177.584 -0.585 0.000 1.053 343 A CA -0.350 51.358 52.037 -0.549 0.000 0.726 343 A CB 0.784 19.486 19.000 -0.496 0.000 1.229 343 A HN 0.591 nan 8.150 nan 0.000 0.431 344 Y N 1.235 121.374 120.300 -0.269 0.000 2.409 344 Y HA 0.720 5.268 4.550 -0.004 0.000 0.343 344 Y C -0.255 175.581 175.900 -0.107 0.000 0.973 344 Y CA -0.625 57.343 58.100 -0.220 0.000 1.064 344 Y CB 1.870 40.214 38.460 -0.192 0.000 1.207 344 Y HN 0.770 nan 8.280 nan 0.000 0.452 345 F N -1.670 118.245 119.950 -0.058 0.000 2.741 345 F HA 0.747 5.272 4.527 -0.004 0.000 0.311 345 F C -1.335 174.454 175.800 -0.018 0.000 1.149 345 F CA -1.074 56.877 58.000 -0.081 0.000 0.930 345 F CB 1.516 40.428 39.000 -0.147 0.000 1.312 345 F HN 0.218 nan 8.300 nan 0.000 0.450 346 T N 2.867 117.533 114.554 0.186 0.000 2.841 346 T HA 0.615 4.962 4.350 -0.004 0.000 0.285 346 T C -0.807 174.010 174.700 0.196 0.000 0.991 346 T CA -0.572 61.601 62.100 0.122 0.000 0.966 346 T CB 1.159 70.068 68.868 0.068 0.000 0.962 346 T HN 0.619 nan 8.240 nan 0.000 0.438 347 L N 5.139 126.485 121.223 0.204 0.000 2.305 347 L HA 0.434 4.772 4.340 -0.004 0.000 0.281 347 L C -1.474 175.476 176.870 0.134 0.000 1.085 347 L CA -1.807 53.154 54.840 0.202 0.000 0.813 347 L CB -0.082 42.133 42.059 0.260 0.000 1.157 347 L HN 0.427 nan 8.230 nan 0.000 0.436 357 M N 1.519 121.158 119.600 0.065 0.000 2.658 357 M HA 0.509 4.987 4.480 -0.004 0.000 0.295 357 M C -0.370 175.960 176.300 0.051 0.000 1.248 357 M CA -0.695 54.632 55.300 0.045 0.000 0.843 357 M CB 2.666 35.285 32.600 0.032 0.000 1.749 357 M HN 0.403 nan 8.290 nan 0.000 0.464 358 Q N 0.200 120.017 119.800 0.030 0.000 2.364 358 Q HA 0.245 4.582 4.340 -0.004 0.000 0.267 358 Q C 0.919 176.938 176.000 0.032 0.000 0.999 358 Q CA 1.118 56.938 55.803 0.027 0.000 0.886 358 Q CB 0.484 29.228 28.738 0.010 0.000 1.243 358 Q HN 1.046 nan 8.270 nan 0.000 0.415 359 G N 2.679 111.510 108.800 0.050 0.000 2.184 359 G HA2 -0.244 3.713 3.960 -0.004 0.000 0.264 359 G HA3 -0.244 3.713 3.960 -0.004 0.000 0.264 359 G C -0.308 174.675 174.900 0.139 0.000 0.975 359 G CA 0.150 45.287 45.100 0.061 0.000 0.642 359 G HN 0.651 nan 8.290 nan 0.000 0.536 360 D N 1.381 121.857 120.400 0.127 0.000 2.417 360 D HA 0.370 5.007 4.640 -0.004 0.000 0.250 360 D C 0.736 177.134 176.300 0.163 0.000 1.166 360 D CA 0.280 54.368 54.000 0.147 0.000 0.881 360 D CB 0.495 41.394 40.800 0.165 0.000 1.164 360 D HN 0.444 nan 8.370 nan 0.000 0.467 361 E N 2.125 122.410 120.200 0.141 0.000 2.299 361 E HA 0.216 4.563 4.350 -0.004 0.000 0.272 361 E C -0.084 176.537 176.600 0.036 0.000 1.043 361 E CA -0.006 56.413 56.400 0.031 0.000 0.895 361 E CB 0.913 30.613 29.700 0.000 0.000 1.011 361 E HN 0.374 nan 8.360 nan 0.000 0.432 362 I N 2.718 123.272 120.570 -0.027 0.000 2.530 362 I HA 0.202 4.369 4.170 -0.004 0.000 0.297 362 I C -0.368 175.697 176.117 -0.086 0.000 1.011 362 I CA -0.870 60.394 61.300 -0.061 0.000 1.107 362 I CB 1.790 39.758 38.000 -0.053 0.000 1.285 362 I HN 0.534 nan 8.210 nan 0.000 0.436 363 C N 7.805 127.041 119.300 -0.106 0.000 2.264 363 C HA 0.602 5.059 4.460 -0.004 0.000 0.324 363 C C -0.645 174.293 174.990 -0.085 0.000 1.267 363 C CA -0.475 58.489 59.018 -0.089 0.000 1.618 363 C CB 0.006 27.702 27.740 -0.074 0.000 2.278 363 C HN 0.582 nan 8.230 nan 0.000 0.499 364 L N 6.684 127.902 121.223 -0.009 0.000 2.296 364 L HA 0.658 4.995 4.340 -0.004 0.000 0.286 364 L C 0.080 177.094 176.870 0.239 0.000 1.023 364 L CA 0.269 55.185 54.840 0.126 0.000 0.812 364 L CB 1.000 43.221 42.059 0.270 0.000 1.223 364 L HN 0.714 nan 8.230 nan 0.000 0.421 365 R N 3.188 123.836 120.500 0.246 0.000 2.561 365 R HA 0.335 4.673 4.340 -0.004 0.000 0.297 365 R C -1.624 174.848 176.300 0.286 0.000 0.969 365 R CA -0.818 55.425 56.100 0.238 0.000 0.879 365 R CB 2.119 32.447 30.300 0.047 0.000 1.178 365 R HN 0.484 nan 8.270 nan 0.000 0.445 366 Y N 3.019 123.429 120.300 0.184 0.000 2.313 366 Y HA 0.292 4.839 4.550 -0.005 0.000 0.332 366 Y C -0.736 175.077 175.900 -0.145 0.000 1.071 366 Y CA -0.185 57.768 58.100 -0.246 0.000 1.169 366 Y CB 0.915 39.180 38.460 -0.326 0.000 1.192 366 Y HN 0.284 nan 8.280 nan 0.000 0.487 367 K N 5.091 124.938 120.400 -0.921 0.000 2.292 367 K HA 0.736 5.054 4.320 -0.004 0.000 0.257 367 K C -0.411 175.645 176.600 -0.906 0.000 0.940 367 K CA -0.447 55.454 56.287 -0.642 0.000 0.811 367 K CB 1.720 34.012 32.500 -0.347 0.000 1.120 367 K HN 1.000 nan 8.250 nan 0.000 0.428 368 G N 1.705 110.224 108.800 -0.469 0.000 2.334 368 G HA2 -0.120 3.837 3.960 -0.004 0.000 0.315 368 G HA3 -0.120 3.837 3.960 -0.004 0.000 0.315 368 G C -1.323 173.596 174.900 0.031 0.000 1.284 368 G CA -0.472 44.480 45.100 -0.245 0.000 0.985 368 G HN 0.686 nan 8.290 nan 0.000 0.504 369 D N -0.714 119.747 120.400 0.102 0.000 2.650 369 D HA 0.221 4.858 4.640 -0.004 0.000 0.265 369 D C 1.518 177.896 176.300 0.129 0.000 1.339 369 D CA -0.242 53.828 54.000 0.116 0.000 0.816 369 D CB 0.475 41.308 40.800 0.054 0.000 1.091 369 D HN 0.291 nan 8.370 nan 0.000 0.483 370 L N 0.293 121.641 121.223 0.208 0.000 2.375 370 L HA 0.372 4.709 4.340 -0.004 0.000 0.215 370 L C 0.850 177.719 176.870 -0.001 0.000 1.108 370 L CA 0.692 55.597 54.840 0.109 0.000 0.830 370 L CB 0.243 42.389 42.059 0.145 0.000 0.959 370 L HN 0.216 nan 8.230 nan 0.000 0.457 371 A N -1.195 121.618 122.820 -0.011 0.000 2.540 371 A HA 0.623 4.940 4.320 -0.004 0.000 0.297 371 A C -2.627 174.985 177.584 0.047 0.000 1.056 371 A CA -1.182 50.797 52.037 -0.097 0.000 0.700 371 A CB 0.505 19.316 19.000 -0.315 0.000 1.280 371 A HN -0.212 nan 8.150 nan 0.000 0.398 372 P HA 0.028 nan 4.420 nan 0.000 0.265 372 P C -0.245 177.175 177.300 0.200 0.000 1.167 372 P CA 0.283 63.451 63.100 0.114 0.000 0.760 372 P CB 0.215 31.963 31.700 0.081 0.000 0.783 373 L N 2.308 123.640 121.223 0.181 0.000 2.700 373 L HA -0.044 4.293 4.340 -0.004 0.000 0.276 373 L C 0.532 177.549 176.870 0.245 0.000 1.200 373 L CA 0.483 55.442 54.840 0.198 0.000 0.951 373 L CB -0.314 41.799 42.059 0.090 0.000 1.226 373 L HN 0.514 nan 8.230 nan 0.000 0.489 374 W N 6.283 127.647 121.300 0.107 0.000 2.719 374 W HA 0.563 5.220 4.660 -0.004 0.000 0.352 374 W C -0.637 175.935 176.519 0.089 0.000 1.085 374 W CA -0.962 56.437 57.345 0.090 0.000 1.187 374 W CB 1.292 30.816 29.460 0.106 0.000 1.417 374 W HN 0.265 nan 8.180 nan 0.000 0.557 375 K N 3.297 123.114 120.400 -0.973 0.000 2.581 375 K HA 0.621 4.938 4.320 -0.004 0.000 0.249 375 K C -1.045 174.683 176.600 -1.452 0.000 0.966 375 K CA -0.635 55.109 56.287 -0.905 0.000 0.811 375 K CB 1.274 33.523 32.500 -0.419 0.000 1.223 375 K HN 0.723 nan 8.250 nan 0.000 0.438 376 G N 3.937 111.959 108.800 -1.297 0.000 2.706 376 G HA2 0.486 4.444 3.960 -0.004 0.000 0.297 376 G HA3 0.486 4.444 3.960 -0.004 0.000 0.297 376 G C -1.316 173.445 174.900 -0.232 0.000 1.403 376 G CA -0.629 44.027 45.100 -0.740 0.000 0.954 376 G HN 0.371 nan 8.290 nan 0.000 0.500 377 I N 1.190 121.681 120.570 -0.133 0.000 2.353 377 I HA 0.648 4.816 4.170 -0.004 0.000 0.293 377 I C 0.773 176.830 176.117 -0.100 0.000 0.992 377 I CA -0.525 60.706 61.300 -0.116 0.000 1.268 377 I CB 0.951 38.863 38.000 -0.146 0.000 1.387 377 I HN 0.599 nan 8.210 nan 0.000 0.478 378 G N 4.679 113.403 108.800 -0.126 0.000 2.619 378 G HA2 0.614 4.571 3.960 -0.004 0.000 0.296 378 G HA3 0.614 4.571 3.960 -0.004 0.000 0.296 378 G C -1.435 173.327 174.900 -0.231 0.000 1.334 378 G CA -0.502 44.523 45.100 -0.125 0.000 0.934 378 G HN 0.602 nan 8.290 nan 0.000 0.476 379 H N -0.794 118.293 119.070 0.028 0.000 2.467 379 H HA 0.445 4.998 4.556 -0.004 0.000 0.331 379 H C 0.248 175.580 175.328 0.006 0.000 1.120 379 H CA -0.580 55.479 56.048 0.018 0.000 1.270 379 H CB 1.975 31.740 29.762 0.005 0.000 1.466 379 H HN 0.291 nan 8.280 nan 0.000 0.504 380 V N 4.441 124.432 119.914 0.129 0.000 2.585 380 V HA -0.045 4.073 4.120 -0.004 0.000 0.296 380 V C 1.401 177.519 176.094 0.039 0.000 1.035 380 V CA 0.664 62.998 62.300 0.056 0.000 1.084 380 V CB -0.014 31.848 31.823 0.065 0.000 0.953 380 V HN 0.803 nan 8.190 nan 0.000 0.483 381 I N 1.188 121.754 120.570 -0.007 0.000 4.403 381 I HA 0.469 4.636 4.170 -0.004 0.000 0.331 381 I C 0.635 176.746 176.117 -0.011 0.000 1.327 381 I CA 0.072 61.368 61.300 -0.006 0.000 1.175 381 I CB 0.373 38.367 38.000 -0.009 0.000 1.165 381 I HN 0.518 nan 8.210 nan 0.000 0.413 382 K N 2.444 122.826 120.400 -0.030 0.000 2.613 382 K HA 0.554 4.872 4.320 -0.004 0.000 0.248 382 K C -1.046 175.533 176.600 -0.035 0.000 0.959 382 K CA -0.548 55.727 56.287 -0.019 0.000 0.855 382 K CB 2.472 34.973 32.500 0.001 0.000 1.143 382 K HN 0.035 nan 8.250 nan 0.000 0.437 383 V N 3.760 123.664 119.914 -0.017 0.000 3.214 383 V HA 0.390 4.507 4.120 -0.004 0.000 0.306 383 V C -1.862 174.221 176.094 -0.018 0.000 1.078 383 V CA -1.393 60.899 62.300 -0.013 0.000 1.077 383 V CB 0.647 32.471 31.823 0.000 0.000 1.121 383 V HN 0.792 nan 8.190 nan 0.000 0.468 390 E N 1.482 121.661 120.200 -0.035 0.000 2.452 390 E HA 0.164 4.512 4.350 -0.004 0.000 0.261 390 E C -0.012 176.497 176.600 -0.150 0.000 0.987 390 E CA 0.532 56.885 56.400 -0.080 0.000 0.926 390 E CB 0.728 30.407 29.700 -0.035 0.000 0.934 390 E HN 0.249 nan 8.360 nan 0.000 0.452 391 I N 1.626 121.983 120.570 -0.355 0.000 2.648 391 I HA 0.567 4.734 4.170 -0.004 0.000 0.304 391 I C -0.274 175.520 176.117 -0.539 0.000 1.009 391 I CA -0.856 60.147 61.300 -0.495 0.000 1.114 391 I CB 1.940 39.453 38.000 -0.811 0.000 1.293 391 I HN 0.421 nan 8.210 nan 0.000 0.449 392 A N 6.606 129.198 122.820 -0.381 0.000 2.408 392 A HA 0.796 5.113 4.320 -0.004 0.000 0.295 392 A C -0.850 176.550 177.584 -0.307 0.000 1.040 392 A CA -0.482 51.298 52.037 -0.428 0.000 0.707 392 A CB 1.319 20.148 19.000 -0.285 0.000 1.235 392 A HN 0.725 nan 8.150 nan 0.000 0.418 393 I N -0.168 120.220 120.570 -0.302 0.000 2.466 393 I HA 0.603 4.770 4.170 -0.004 0.000 0.289 393 I C -0.073 175.985 176.117 -0.099 0.000 1.026 393 I CA -0.484 60.746 61.300 -0.116 0.000 1.078 393 I CB 1.708 39.710 38.000 0.003 0.000 1.249 393 I HN 0.784 nan 8.210 nan 0.000 0.429 401 A N 1.187 123.934 122.820 -0.120 0.000 2.269 401 A HA 0.779 5.097 4.320 -0.004 0.000 0.319 401 A C -2.441 174.640 177.584 -0.840 0.000 1.110 401 A CA -1.169 50.490 52.037 -0.630 0.000 0.847 401 A CB 0.571 19.204 19.000 -0.611 0.000 1.161 401 A HN 0.258 nan 8.150 nan 0.000 0.497 402 P HA 0.275 nan 4.420 nan 0.000 0.251 402 P C -0.120 176.562 177.300 -1.029 0.000 1.718 402 P CA -0.045 62.570 63.100 -0.808 0.000 1.119 402 P CB 0.705 31.998 31.700 -0.679 0.000 1.762 403 V N 2.852 122.042 119.914 -1.206 0.000 3.623 403 V HA -0.096 4.021 4.120 -0.004 0.000 0.271 403 V C 2.117 177.780 176.094 -0.718 0.000 1.248 403 V CA 1.122 62.396 62.300 -1.709 0.000 1.156 403 V CB -0.995 30.096 31.823 -1.221 0.000 0.870 403 V HN 0.459 nan 8.190 nan 0.000 0.453 404 E N 0.066 120.026 120.200 -0.401 0.000 2.299 404 E HA 0.011 4.359 4.350 -0.004 0.000 0.193 404 E C 0.547 177.151 176.600 0.006 0.000 0.998 404 E CA 0.396 56.706 56.400 -0.151 0.000 0.851 404 E CB 0.032 29.647 29.700 -0.142 0.000 0.795 404 E HN 0.430 nan 8.360 nan 0.000 0.492 405 V N 0.313 120.272 119.914 0.076 0.000 2.713 405 V HA 0.251 4.368 4.120 -0.004 0.000 0.307 405 V C 0.594 177.001 176.094 0.521 0.000 1.052 405 V CA -0.446 61.996 62.300 0.236 0.000 0.967 405 V CB 1.670 33.501 31.823 0.013 0.000 1.019 405 V HN 0.123 nan 8.190 nan 0.000 0.459 406 T N -0.502 114.284 114.554 0.386 0.000 3.098 406 T HA 0.202 4.549 4.350 -0.004 0.000 0.246 406 T C 0.427 175.216 174.700 0.148 0.000 0.983 406 T CA 0.396 62.568 62.100 0.120 0.000 1.094 406 T CB 0.084 68.786 68.868 -0.277 0.000 1.035 406 T HN 0.707 nan 8.240 nan 0.000 0.456 407 H N 1.362 120.690 119.070 0.429 0.000 2.525 407 H HA 0.420 4.974 4.556 -0.004 0.000 0.340 407 H C 0.094 175.560 175.328 0.230 0.000 1.168 407 H CA -0.413 55.815 56.048 0.301 0.000 1.247 407 H CB 0.744 30.605 29.762 0.165 0.000 1.568 407 H HN 0.255 nan 8.280 nan 0.000 0.536 408 N N -0.250 118.591 118.700 0.235 0.000 2.818 408 N HA -0.191 4.546 4.740 -0.004 0.000 0.250 408 N C -1.102 174.296 175.510 -0.186 0.000 1.108 408 N CA -0.026 52.999 53.050 -0.041 0.000 0.745 408 N CB -1.101 37.255 38.487 -0.218 0.000 1.104 408 N HN 0.245 nan 8.380 nan 0.000 0.557 409 F N 1.275 121.221 119.950 -0.006 0.000 2.371 409 F HA 0.351 4.875 4.527 -0.004 0.000 0.329 409 F C 1.011 176.758 175.800 -0.088 0.000 1.107 409 F CA 0.026 58.022 58.000 -0.006 0.000 1.137 409 F CB 0.907 39.900 39.000 -0.012 0.000 1.214 409 F HN -0.009 nan 8.300 nan 0.000 0.536 410 Q N 1.394 121.248 119.800 0.090 0.000 2.333 410 Q HA 0.598 4.935 4.340 -0.004 0.000 0.267 410 Q C -1.789 174.152 176.000 -0.098 0.000 1.012 410 Q CA -0.747 55.044 55.803 -0.020 0.000 0.824 410 Q CB 2.028 30.751 28.738 -0.026 0.000 1.290 410 Q HN 0.518 nan 8.270 nan 0.000 0.449 411 V N 3.703 123.503 119.914 -0.191 0.000 2.347 411 V HA 0.346 4.463 4.120 -0.004 0.000 0.280 411 V C -1.037 174.901 176.094 -0.260 0.000 1.021 411 V CA -0.630 61.467 62.300 -0.337 0.000 0.847 411 V CB 1.547 33.063 31.823 -0.512 0.000 0.990 411 V HN 0.800 nan 8.190 nan 0.000 0.444 412 D N 3.753 124.008 120.400 -0.241 0.000 2.375 412 D HA 0.572 5.209 4.640 -0.004 0.000 0.247 412 D C -0.833 175.362 176.300 -0.175 0.000 1.061 412 D CA -0.243 53.686 54.000 -0.118 0.000 0.834 412 D CB 1.620 42.403 40.800 -0.029 0.000 1.247 412 D HN 0.363 nan 8.370 nan 0.000 0.489 413 F N 1.634 121.622 119.950 0.063 0.000 2.413 413 F HA 0.255 4.779 4.527 -0.005 0.000 0.359 413 F C 0.344 176.212 175.800 0.113 0.000 1.122 413 F CA -0.851 57.203 58.000 0.092 0.000 1.160 413 F CB 0.579 39.642 39.000 0.104 0.000 1.146 413 F HN 0.014 nan 8.300 nan 0.000 0.514 414 V N 3.750 123.803 119.914 0.231 0.000 2.555 414 V HA -0.041 4.076 4.120 -0.004 0.000 0.286 414 V C -0.330 175.933 176.094 0.281 0.000 1.044 414 V CA -0.674 61.747 62.300 0.202 0.000 1.026 414 V CB 0.490 32.375 31.823 0.102 0.000 0.981 414 V HN 0.767 nan 8.190 nan 0.000 0.480 415 W N 5.933 127.292 121.300 0.099 0.000 2.496 415 W HA 0.582 5.239 4.660 -0.005 0.000 0.327 415 W C -0.200 176.379 176.519 0.101 0.000 1.086 415 W CA -0.791 56.618 57.345 0.106 0.000 1.222 415 W CB 1.024 30.535 29.460 0.085 0.000 1.304 415 W HN 0.418 nan 8.180 nan 0.000 0.547 416 K N 2.604 122.626 120.400 -0.628 0.000 2.371 416 K HA 0.212 4.529 4.320 -0.004 0.000 0.251 416 K C 0.557 176.495 176.600 -1.104 0.000 0.934 416 K CA -0.425 55.497 56.287 -0.608 0.000 0.798 416 K CB 2.213 34.546 32.500 -0.278 0.000 1.204 416 K HN 0.484 nan 8.250 nan 0.000 0.427 417 S N 0.007 115.242 115.700 -0.775 0.000 2.528 417 S HA -0.077 4.390 4.470 -0.004 0.000 0.219 417 S C 1.390 175.906 174.600 -0.140 0.000 0.985 417 S CA 0.654 58.560 58.200 -0.490 0.000 0.914 417 S CB -0.178 62.951 63.200 -0.119 0.000 0.776 417 S HN 0.606 nan 8.310 nan 0.000 0.526 418 T N 3.622 118.062 114.554 -0.191 0.000 2.594 418 T HA -0.256 4.092 4.350 -0.004 0.000 0.266 418 T C 2.260 176.879 174.700 -0.135 0.000 1.070 418 T CA 2.620 64.644 62.100 -0.126 0.000 1.166 418 T CB -1.090 67.698 68.868 -0.135 0.000 0.862 418 T HN 0.838 nan 8.240 nan 0.000 0.436 419 S N 1.081 116.628 115.700 -0.255 0.000 2.383 419 S HA -0.053 4.414 4.470 -0.004 0.000 0.227 419 S C 1.880 176.289 174.600 -0.319 0.000 1.026 419 S CA 1.020 59.015 58.200 -0.340 0.000 0.981 419 S CB -0.958 61.934 63.200 -0.512 0.000 0.818 419 S HN 0.523 nan 8.310 nan 0.000 0.472 420 F N 2.491 122.423 119.950 -0.030 0.000 2.163 420 F HA 0.034 4.558 4.527 -0.004 0.000 0.297 420 F C 2.498 178.315 175.800 0.028 0.000 1.094 420 F CA 0.994 59.013 58.000 0.033 0.000 1.290 420 F CB -0.571 38.492 39.000 0.104 0.000 1.017 420 F HN 0.125 nan 8.300 nan 0.000 0.483 421 D N 0.334 120.840 120.400 0.176 0.000 2.116 421 D HA -0.156 4.481 4.640 -0.004 0.000 0.193 421 D C 2.298 178.634 176.300 0.059 0.000 0.998 421 D CA 1.262 55.324 54.000 0.103 0.000 0.836 421 D CB -0.396 40.438 40.800 0.055 0.000 0.951 421 D HN 0.228 nan 8.370 nan 0.000 0.449 422 R N -0.219 120.288 120.500 0.012 0.000 2.081 422 R HA -0.009 4.328 4.340 -0.004 0.000 0.235 422 R C 2.562 178.862 176.300 0.000 0.000 1.131 422 R CA 0.935 57.030 56.100 -0.009 0.000 0.960 422 R CB -0.233 30.038 30.300 -0.048 0.000 0.856 422 R HN 0.239 nan 8.270 nan 0.000 0.436 423 M N 0.452 120.053 119.600 0.003 0.000 2.080 423 M HA -0.239 4.239 4.480 -0.004 0.000 0.260 423 M C 2.324 178.659 176.300 0.059 0.000 1.068 423 M CA 1.641 56.952 55.300 0.019 0.000 1.109 423 M CB -0.279 32.343 32.600 0.037 0.000 1.342 423 M HN 0.095 nan 8.290 nan 0.000 0.405 424 Q N -0.448 119.407 119.800 0.093 0.000 2.084 424 Q HA -0.139 4.199 4.340 -0.004 0.000 0.202 424 Q C 2.264 178.311 176.000 0.079 0.000 0.978 424 Q CA 1.597 57.461 55.803 0.101 0.000 0.844 424 Q CB -0.659 28.147 28.738 0.113 0.000 0.898 424 Q HN 0.453 nan 8.270 nan 0.000 0.426 425 S N 0.548 116.284 115.700 0.060 0.000 2.365 425 S HA -0.201 4.267 4.470 -0.004 0.000 0.225 425 S C 1.935 176.561 174.600 0.043 0.000 1.039 425 S CA 1.317 59.544 58.200 0.045 0.000 1.033 425 S CB -0.159 63.059 63.200 0.030 0.000 0.887 425 S HN 0.518 nan 8.310 nan 0.000 0.447 426 A N 1.108 123.947 122.820 0.032 0.000 1.877 426 A HA 0.002 4.320 4.320 -0.004 0.000 0.216 426 A C 2.114 179.742 177.584 0.074 0.000 1.186 426 A CA 1.296 53.347 52.037 0.023 0.000 0.620 426 A CB -0.767 18.218 19.000 -0.025 0.000 0.822 426 A HN 0.523 nan 8.150 nan 0.000 0.443 427 L N -0.544 120.740 121.223 0.101 0.000 2.079 427 L HA -0.242 4.095 4.340 -0.004 0.000 0.210 427 L C 2.639 179.599 176.870 0.151 0.000 1.081 427 L CA 2.075 57.027 54.840 0.186 0.000 0.752 427 L CB -0.455 41.714 42.059 0.184 0.000 0.896 427 L HN 0.524 nan 8.230 nan 0.000 0.433 428 K N -0.271 120.184 120.400 0.091 0.000 2.025 428 K HA -0.149 4.168 4.320 -0.004 0.000 0.207 428 K C 2.082 178.692 176.600 0.018 0.000 1.049 428 K CA 1.752 58.065 56.287 0.042 0.000 0.933 428 K CB -0.100 32.427 32.500 0.046 0.000 0.714 428 K HN 0.068 nan 8.250 nan 0.000 0.438 429 T N 0.925 115.508 114.554 0.049 0.000 2.759 429 T HA -0.160 4.187 4.350 -0.004 0.000 0.269 429 T C 1.313 176.067 174.700 0.090 0.000 1.042 429 T CA 1.343 63.473 62.100 0.050 0.000 1.140 429 T CB -0.353 68.547 68.868 0.053 0.000 0.864 429 T HN 0.260 nan 8.240 nan 0.000 0.455 430 F N 2.066 121.974 119.950 -0.070 0.000 2.134 430 F HA 0.029 4.554 4.527 -0.004 0.000 0.299 430 F C 2.358 178.095 175.800 -0.105 0.000 1.097 430 F CA 0.750 58.699 58.000 -0.084 0.000 1.264 430 F CB -0.892 38.030 39.000 -0.130 0.000 1.001 430 F HN 0.152 nan 8.300 nan 0.000 0.479 431 A N -1.014 121.645 122.820 -0.268 0.000 1.930 431 A HA 0.007 4.324 4.320 -0.004 0.000 0.215 431 A C 2.264 179.452 177.584 -0.660 0.000 1.176 431 A CA 1.718 53.354 52.037 -0.668 0.000 0.632 431 A CB -0.931 17.597 19.000 -0.786 0.000 0.819 431 A HN 0.231 nan 8.150 nan 0.000 0.445 432 V N -0.241 119.488 119.914 -0.307 0.000 3.263 432 V HA 0.052 4.169 4.120 -0.004 0.000 0.248 432 V C 0.120 176.199 176.094 -0.024 0.000 1.145 432 V CA 0.940 63.166 62.300 -0.124 0.000 1.107 432 V CB 0.160 31.956 31.823 -0.044 0.000 0.797 432 V HN 0.522 nan 8.190 nan 0.000 0.467 433 D N 0.671 121.052 120.400 -0.032 0.000 2.427 433 D HA 0.114 4.751 4.640 -0.004 0.000 0.226 433 D C 1.383 177.670 176.300 -0.022 0.000 1.076 433 D CA -0.336 53.666 54.000 0.004 0.000 0.849 433 D CB 1.181 41.990 40.800 0.015 0.000 1.052 433 D HN 0.348 nan 8.370 nan 0.000 0.515 434 E N 1.924 122.104 120.200 -0.034 0.000 2.409 434 E HA -0.156 4.191 4.350 -0.004 0.000 0.198 434 E C 0.981 177.549 176.600 -0.054 0.000 1.024 434 E CA 0.909 57.249 56.400 -0.100 0.000 0.861 434 E CB -0.420 29.207 29.700 -0.122 0.000 0.788 434 E HN 0.457 nan 8.360 nan 0.000 0.521 435 T N -1.472 113.077 114.554 -0.009 0.000 3.044 435 T HA 0.028 4.375 4.350 -0.004 0.000 0.250 435 T C 1.969 176.686 174.700 0.028 0.000 1.081 435 T CA 0.649 62.753 62.100 0.007 0.000 1.040 435 T CB -0.055 68.819 68.868 0.010 0.000 0.962 435 T HN 0.198 nan 8.240 nan 0.000 0.506 436 S N 1.589 117.315 115.700 0.043 0.000 2.399 436 S HA 0.062 4.529 4.470 -0.004 0.000 0.231 436 S C 0.771 175.422 174.600 0.084 0.000 1.022 436 S CA 0.546 58.786 58.200 0.067 0.000 0.983 436 S CB -0.920 62.335 63.200 0.091 0.000 0.803 436 S HN 0.894 nan 8.310 nan 0.000 0.480 437 V N -0.824 119.155 119.914 0.108 0.000 3.147 437 V HA 0.764 4.881 4.120 -0.004 0.000 0.306 437 V C -0.082 176.082 176.094 0.116 0.000 1.209 437 V CA -0.797 61.573 62.300 0.117 0.000 1.023 437 V CB 1.331 33.252 31.823 0.163 0.000 1.059 437 V HN 0.408 nan 8.190 nan 0.000 0.435 438 S N 1.532 117.304 115.700 0.120 0.000 2.579 438 S HA 0.378 4.845 4.470 -0.004 0.000 0.275 438 S C 1.523 176.231 174.600 0.180 0.000 1.345 438 S CA 0.263 58.541 58.200 0.129 0.000 1.031 438 S CB 0.889 64.169 63.200 0.134 0.000 0.892 438 S HN 2.033 nan 8.310 nan 0.000 0.529 439 G N 1.234 110.132 108.800 0.162 0.000 2.556 439 G HA2 -0.309 3.648 3.960 -0.004 0.000 0.220 439 G HA3 -0.309 3.648 3.960 -0.004 0.000 0.220 439 G C 1.070 176.195 174.900 0.374 0.000 1.156 439 G CA 1.354 46.594 45.100 0.233 0.000 0.766 439 G HN 0.922 nan 8.290 nan 0.000 0.583 440 Y N 1.115 121.533 120.300 0.197 0.000 2.097 440 Y HA -0.132 4.416 4.550 -0.004 0.000 0.282 440 Y C 2.708 178.711 175.900 0.173 0.000 1.152 440 Y CA 1.836 60.042 58.100 0.177 0.000 1.136 440 Y CB -0.170 38.349 38.460 0.099 0.000 0.975 440 Y HN 0.192 nan 8.280 nan 0.000 0.498 441 I N -0.925 119.878 120.570 0.388 0.000 2.286 441 I HA -0.317 3.851 4.170 -0.004 0.000 0.248 441 I C 2.174 178.373 176.117 0.137 0.000 1.115 441 I CA 1.560 63.008 61.300 0.247 0.000 1.392 441 I CB -0.610 37.503 38.000 0.188 0.000 1.065 441 I HN 0.339 nan 8.210 nan 0.000 0.418 442 Y N 1.655 121.983 120.300 0.046 0.000 2.070 442 Y HA -0.359 4.189 4.550 -0.004 0.000 0.280 442 Y C 2.654 178.455 175.900 -0.165 0.000 1.148 442 Y CA 2.144 60.229 58.100 -0.024 0.000 1.125 442 Y CB -0.561 37.807 38.460 -0.152 0.000 0.975 442 Y HN 0.169 nan 8.280 nan 0.000 0.492 443 H N -0.833 118.293 119.070 0.093 0.000 2.389 443 H HA -0.091 4.463 4.556 -0.004 0.000 0.299 443 H C 2.133 177.307 175.328 -0.256 0.000 1.081 443 H CA 1.661 57.659 56.048 -0.083 0.000 1.345 443 H CB -0.055 29.796 29.762 0.148 0.000 1.393 443 H HN 0.148 nan 8.280 nan 0.000 0.520 444 K N 0.858 121.170 120.400 -0.148 0.000 2.025 444 K HA -0.056 4.261 4.320 -0.004 0.000 0.207 444 K C 1.875 178.394 176.600 -0.135 0.000 1.049 444 K CA 0.878 57.057 56.287 -0.181 0.000 0.933 444 K CB -0.292 32.079 32.500 -0.215 0.000 0.714 444 K HN 0.210 nan 8.250 nan 0.000 0.438 445 L N 0.259 121.394 121.223 -0.147 0.000 2.131 445 L HA -0.132 4.205 4.340 -0.004 0.000 0.210 445 L C 1.821 178.600 176.870 -0.152 0.000 1.092 445 L CA 0.920 55.665 54.840 -0.158 0.000 0.759 445 L CB -0.259 41.662 42.059 -0.229 0.000 0.903 445 L HN 0.197 nan 8.230 nan 0.000 0.435 446 L N -0.621 120.428 121.223 -0.290 0.000 2.591 446 L HA 0.135 4.472 4.340 -0.004 0.000 0.228 446 L C 1.355 178.157 176.870 -0.114 0.000 1.133 446 L CA 0.522 55.213 54.840 -0.247 0.000 0.880 446 L CB -0.357 41.285 42.059 -0.695 0.000 1.033 446 L HN 0.481 nan 8.230 nan 0.000 0.450 447 G N -0.288 108.451 108.800 -0.100 0.000 2.132 447 G HA2 -0.251 3.706 3.960 -0.004 0.000 0.234 447 G HA3 -0.251 3.706 3.960 -0.004 0.000 0.234 447 G C 0.069 175.044 174.900 0.126 0.000 0.989 447 G CA -0.227 44.892 45.100 0.032 0.000 0.676 447 G HN 0.527 nan 8.290 nan 0.000 0.522 448 H N 0.065 119.164 119.070 0.048 0.000 2.607 448 H HA 0.404 4.958 4.556 -0.004 0.000 0.367 448 H C 0.552 175.879 175.328 -0.002 0.000 1.181 448 H CA -0.312 55.765 56.048 0.049 0.000 1.402 448 H CB 0.961 30.798 29.762 0.126 0.000 1.474 448 H HN 0.321 nan 8.280 nan 0.000 0.596 449 E N 1.897 122.167 120.200 0.116 0.000 2.366 449 E HA 0.131 4.478 4.350 -0.004 0.000 0.266 449 E C -1.243 175.354 176.600 -0.004 0.000 1.015 449 E CA -0.308 56.113 56.400 0.034 0.000 0.906 449 E CB 0.464 30.171 29.700 0.013 0.000 0.979 449 E HN 0.243 nan 8.360 nan 0.000 0.443 450 V N 4.128 124.016 119.914 -0.042 0.000 2.686 450 V HA 0.203 4.320 4.120 -0.004 0.000 0.306 450 V C -0.189 175.897 176.094 -0.014 0.000 1.065 450 V CA -1.021 61.221 62.300 -0.097 0.000 0.894 450 V CB 1.629 33.253 31.823 -0.331 0.000 1.004 450 V HN 0.762 nan 8.190 nan 0.000 0.424 451 E N 2.648 122.872 120.200 0.040 0.000 2.383 451 E HA 0.115 4.463 4.350 -0.004 0.000 0.264 451 E C -0.456 176.258 176.600 0.190 0.000 1.050 451 E CA -0.541 55.912 56.400 0.088 0.000 0.896 451 E CB 0.680 30.420 29.700 0.067 0.000 0.982 451 E HN 0.707 nan 8.360 nan 0.000 0.424 452 D N 2.183 122.673 120.400 0.151 0.000 2.443 452 D HA 0.082 4.720 4.640 -0.004 0.000 0.239 452 D C -0.733 175.637 176.300 0.117 0.000 1.136 452 D CA 0.290 54.387 54.000 0.162 0.000 0.879 452 D CB 1.215 42.068 40.800 0.088 0.000 1.195 452 D HN 0.081 nan 8.370 nan 0.000 0.443 453 V N 3.618 123.561 119.914 0.049 0.000 2.656 453 V HA 0.263 4.380 4.120 -0.004 0.000 0.307 453 V C 0.178 176.218 176.094 -0.089 0.000 1.051 453 V CA -0.920 61.354 62.300 -0.044 0.000 0.893 453 V CB 2.324 34.059 31.823 -0.148 0.000 0.999 453 V HN 0.362 nan 8.190 nan 0.000 0.426 454 I N 5.021 125.557 120.570 -0.057 0.000 2.342 454 I HA 0.312 4.480 4.170 -0.004 0.000 0.291 454 I C 0.205 176.279 176.117 -0.071 0.000 1.010 454 I CA -0.374 60.891 61.300 -0.059 0.000 1.308 454 I CB 1.503 39.484 38.000 -0.031 0.000 1.400 454 I HN 0.372 nan 8.210 nan 0.000 0.488 455 I N 6.875 127.395 120.570 -0.083 0.000 2.588 455 I HA 0.008 4.175 4.170 -0.004 0.000 0.283 455 I C 1.185 177.274 176.117 -0.047 0.000 1.119 455 I CA 0.039 61.294 61.300 -0.074 0.000 1.419 455 I CB 0.304 38.260 38.000 -0.074 0.000 1.394 455 I HN 0.413 nan 8.210 nan 0.000 0.562 456 K N 5.191 125.567 120.400 -0.040 0.000 3.226 456 K HA 0.131 4.449 4.320 -0.004 0.000 0.268 456 K C 0.183 176.766 176.600 -0.028 0.000 1.217 456 K CA -0.233 56.037 56.287 -0.029 0.000 1.242 456 K CB -0.222 32.263 32.500 -0.024 0.000 1.389 456 K HN 0.699 nan 8.250 nan 0.000 0.406 457 C N -0.846 118.436 119.300 -0.030 0.000 2.347 457 C HA 0.340 4.797 4.460 -0.004 0.000 0.366 457 C C 0.181 175.152 174.990 -0.031 0.000 1.241 457 C CA -0.822 58.179 59.018 -0.028 0.000 2.360 457 C CB 0.960 28.685 27.740 -0.025 0.000 2.290 457 C HN 0.581 nan 8.230 nan 0.000 0.587 458 Q N 1.418 121.195 119.800 -0.038 0.000 2.290 458 Q HA 0.522 4.859 4.340 -0.004 0.000 0.259 458 Q C -0.925 175.030 176.000 -0.075 0.000 0.941 458 Q CA -0.402 55.371 55.803 -0.049 0.000 0.912 458 Q CB 1.016 29.724 28.738 -0.050 0.000 1.244 458 Q HN 0.839 nan 8.270 nan 0.000 0.441 459 L N 6.097 127.271 121.223 -0.082 0.000 2.426 459 L HA 0.319 4.656 4.340 -0.004 0.000 0.271 459 L C -1.672 175.039 176.870 -0.265 0.000 1.169 459 L CA -1.580 53.171 54.840 -0.148 0.000 0.836 459 L CB 0.067 42.088 42.059 -0.063 0.000 1.112 459 L HN 0.568 nan 8.230 nan 0.000 0.465 460 P HA 0.165 nan 4.420 nan 0.000 0.275 460 P C -0.326 176.678 177.300 -0.493 0.000 1.266 460 P CA -0.504 62.336 63.100 -0.433 0.000 0.793 460 P CB 1.022 32.407 31.700 -0.525 0.000 1.074 461 K N 0.056 120.279 120.400 -0.295 0.000 2.021 461 K HA 0.049 4.366 4.320 -0.004 0.000 0.205 461 K C 1.014 177.464 176.600 -0.251 0.000 1.047 461 K CA 0.940 57.097 56.287 -0.216 0.000 0.943 461 K CB 0.033 32.473 32.500 -0.101 0.000 0.725 461 K HN 0.324 nan 8.250 nan 0.000 0.439 462 R N 0.576 120.956 120.500 -0.199 0.000 2.343 462 R HA 0.218 4.556 4.340 -0.004 0.000 0.320 462 R C 0.270 176.503 176.300 -0.111 0.000 0.956 462 R CA -0.312 55.728 56.100 -0.100 0.000 0.836 462 R CB 0.845 31.152 30.300 0.012 0.000 1.151 462 R HN 0.073 nan 8.270 nan 0.000 0.450 463 F N 0.301 120.287 119.950 0.060 0.000 2.259 463 F HA -0.067 4.457 4.527 -0.004 0.000 0.298 463 F C 1.420 177.384 175.800 0.273 0.000 1.088 463 F CA 0.709 58.770 58.000 0.102 0.000 1.358 463 F CB 0.103 39.123 39.000 0.034 0.000 1.040 463 F HN 0.322 nan 8.300 nan 0.000 0.505 464 T N 1.702 116.431 114.554 0.292 0.000 2.908 464 T HA 0.304 4.652 4.350 -0.004 0.000 0.301 464 T C 0.345 175.075 174.700 0.050 0.000 1.019 464 T CA -0.148 62.036 62.100 0.140 0.000 1.152 464 T CB 0.457 69.368 68.868 0.072 0.000 0.966 464 T HN 0.217 nan 8.240 nan 0.000 0.540 465 A N 3.878 126.612 122.820 -0.143 0.000 2.302 465 A HA 0.463 4.780 4.320 -0.004 0.000 0.285 465 A C 0.503 177.799 177.584 -0.479 0.000 1.105 465 A CA -0.927 50.756 52.037 -0.590 0.000 0.816 465 A CB 0.307 18.733 19.000 -0.956 0.000 1.067 465 A HN 0.884 nan 8.150 nan 0.000 0.489 466 Q N 0.543 119.996 119.800 -0.578 0.000 2.364 466 Q HA 0.437 4.774 4.340 -0.004 0.000 0.267 466 Q C 0.785 176.609 176.000 -0.292 0.000 0.999 466 Q CA 0.132 55.756 55.803 -0.298 0.000 0.886 466 Q CB 0.437 29.073 28.738 -0.169 0.000 1.243 466 Q HN 1.998 nan 8.270 nan 0.000 0.415 467 G N 1.827 110.522 108.800 -0.174 0.000 2.225 467 G HA2 -0.248 3.710 3.960 -0.004 0.000 0.254 467 G HA3 -0.248 3.710 3.960 -0.004 0.000 0.254 467 G C -0.109 174.715 174.900 -0.127 0.000 0.988 467 G CA 0.185 45.202 45.100 -0.139 0.000 0.625 467 G HN 0.525 nan 8.290 nan 0.000 0.527 468 L N 1.940 123.073 121.223 -0.150 0.000 2.342 468 L HA 0.564 4.901 4.340 -0.004 0.000 0.271 468 L C -1.700 175.114 176.870 -0.093 0.000 1.008 468 L CA -2.332 52.436 54.840 -0.120 0.000 0.818 468 L CB 1.928 43.902 42.059 -0.141 0.000 1.296 468 L HN -0.036 nan 8.230 nan 0.000 0.427 469 P HA 0.083 nan 4.420 nan 0.000 0.272 469 P C -1.171 176.097 177.300 -0.052 0.000 1.230 469 P CA -0.499 62.561 63.100 -0.067 0.000 0.788 469 P CB 0.525 32.176 31.700 -0.082 0.000 0.949 470 D N 0.934 121.316 120.400 -0.029 0.000 2.493 470 D HA 0.069 4.707 4.640 -0.004 0.000 0.240 470 D C 0.495 176.799 176.300 0.005 0.000 1.142 470 D CA 0.238 54.240 54.000 0.003 0.000 0.872 470 D CB -0.018 40.794 40.800 0.020 0.000 1.173 470 D HN 0.101 nan 8.370 nan 0.000 0.467 471 L N 2.746 123.988 121.223 0.032 0.000 2.473 471 L HA 0.091 4.428 4.340 -0.004 0.000 0.268 471 L C 0.983 177.887 176.870 0.056 0.000 1.215 471 L CA -0.107 54.754 54.840 0.035 0.000 0.823 471 L CB -0.034 42.058 42.059 0.055 0.000 1.099 471 L HN 0.445 nan 8.230 nan 0.000 0.483 472 N N -0.326 118.410 118.700 0.060 0.000 2.491 472 N HA 0.114 4.851 4.740 -0.004 0.000 0.279 472 N C 1.014 176.547 175.510 0.037 0.000 1.236 472 N CA -0.100 53.005 53.050 0.093 0.000 0.982 472 N CB 0.024 38.601 38.487 0.149 0.000 1.194 472 N HN 0.667 nan 8.380 nan 0.000 0.582 473 H N -1.741 117.350 119.070 0.035 0.000 2.352 473 H HA -0.102 4.452 4.556 -0.004 0.000 0.299 473 H C 1.316 176.660 175.328 0.026 0.000 1.097 473 H CA 1.974 58.032 56.048 0.016 0.000 1.311 473 H CB -0.604 29.156 29.762 -0.004 0.000 1.377 473 H HN 0.538 nan 8.280 nan 0.000 0.504 474 S N 0.587 115.787 115.700 -0.833 0.000 2.356 474 S HA -0.164 4.304 4.470 -0.004 0.000 0.223 474 S C 2.228 176.747 174.600 -0.134 0.000 1.032 474 S CA 1.436 59.328 58.200 -0.512 0.000 1.005 474 S CB -0.106 62.763 63.200 -0.553 0.000 0.867 474 S HN 0.615 nan 8.310 nan 0.000 0.449 475 Q N -0.003 119.733 119.800 -0.107 0.000 2.079 475 Q HA -0.029 4.308 4.340 -0.004 0.000 0.200 475 Q C 2.285 178.262 176.000 -0.038 0.000 0.974 475 Q CA 1.480 57.263 55.803 -0.032 0.000 0.840 475 Q CB -0.267 28.466 28.738 -0.009 0.000 0.898 475 Q HN 0.399 nan 8.270 nan 0.000 0.430 476 V N 0.391 120.268 119.914 -0.062 0.000 2.255 476 V HA -0.313 3.805 4.120 -0.004 0.000 0.247 476 V C 1.979 177.914 176.094 -0.265 0.000 1.051 476 V CA 2.144 64.332 62.300 -0.186 0.000 1.018 476 V CB -0.689 31.026 31.823 -0.181 0.000 0.641 476 V HN 0.419 nan 8.190 nan 0.000 0.445 477 Y N 1.197 121.360 120.300 -0.229 0.000 2.241 477 Y HA -0.282 4.265 4.550 -0.004 0.000 0.286 477 Y C 2.250 178.065 175.900 -0.142 0.000 1.166 477 Y CA 1.658 59.648 58.100 -0.183 0.000 1.203 477 Y CB -0.450 37.949 38.460 -0.102 0.000 0.977 477 Y HN 0.176 nan 8.280 nan 0.000 0.529 478 A N -0.535 122.241 122.820 -0.074 0.000 1.841 478 A HA -0.138 4.179 4.320 -0.004 0.000 0.214 478 A C 2.349 179.842 177.584 -0.151 0.000 1.195 478 A CA 1.996 53.975 52.037 -0.098 0.000 0.611 478 A CB -1.357 17.649 19.000 0.010 0.000 0.835 478 A HN 0.306 nan 8.150 nan 0.000 0.443 479 V N 0.462 120.311 119.914 -0.108 0.000 2.255 479 V HA -0.324 3.793 4.120 -0.004 0.000 0.247 479 V C 2.579 178.621 176.094 -0.087 0.000 1.051 479 V CA 2.565 64.845 62.300 -0.034 0.000 1.018 479 V CB -0.737 31.131 31.823 0.075 0.000 0.641 479 V HN 0.689 nan 8.190 nan 0.000 0.445 480 K N -0.475 119.753 120.400 -0.288 0.000 2.044 480 K HA -0.236 4.082 4.320 -0.004 0.000 0.210 480 K C 2.203 178.683 176.600 -0.202 0.000 1.049 480 K CA 2.252 58.384 56.287 -0.257 0.000 0.927 480 K CB -0.386 31.792 32.500 -0.536 0.000 0.713 480 K HN 0.517 nan 8.250 nan 0.000 0.443 481 T N 0.348 114.691 114.554 -0.351 0.000 2.708 481 T HA -0.104 4.244 4.350 -0.004 0.000 0.266 481 T C 1.784 176.385 174.700 -0.165 0.000 1.037 481 T CA 1.307 63.214 62.100 -0.322 0.000 1.146 481 T CB -0.076 68.473 68.868 -0.531 0.000 0.865 481 T HN 0.012 nan 8.240 nan 0.000 0.435 482 V N 1.236 121.074 119.914 -0.126 0.000 2.667 482 V HA 0.005 4.123 4.120 -0.004 0.000 0.252 482 V C 2.283 178.355 176.094 -0.036 0.000 1.065 482 V CA 1.145 63.408 62.300 -0.062 0.000 1.083 482 V CB -0.452 31.353 31.823 -0.030 0.000 0.692 482 V HN 0.455 nan 8.190 nan 0.000 0.468 483 L N -0.668 120.542 121.223 -0.021 0.000 2.291 483 L HA -0.117 4.221 4.340 -0.004 0.000 0.214 483 L C 2.075 178.930 176.870 -0.024 0.000 1.120 483 L CA 1.175 56.015 54.840 -0.000 0.000 0.799 483 L CB -0.272 41.806 42.059 0.032 0.000 0.925 483 L HN 0.400 nan 8.230 nan 0.000 0.446 484 Q N -0.486 119.288 119.800 -0.043 0.000 2.246 484 Q HA 0.182 4.519 4.340 -0.004 0.000 0.202 484 Q C -0.036 175.920 176.000 -0.073 0.000 0.883 484 Q CA 0.013 55.785 55.803 -0.051 0.000 0.952 484 Q CB 0.741 29.451 28.738 -0.047 0.000 1.078 484 Q HN 0.339 nan 8.270 nan 0.000 0.493 485 R N 0.449 120.899 120.500 -0.083 0.000 2.686 485 R HA 0.227 4.565 4.340 -0.004 0.000 0.283 485 R C -2.037 174.179 176.300 -0.140 0.000 0.978 485 R CA -1.840 54.191 56.100 -0.114 0.000 0.897 485 R CB 1.602 31.854 30.300 -0.080 0.000 1.192 485 R HN -0.168 nan 8.270 nan 0.000 0.457 486 P HA -0.041 nan 4.420 nan 0.000 0.227 486 P C -0.250 176.993 177.300 -0.096 0.000 1.161 486 P CA 0.880 63.834 63.100 -0.244 0.000 0.788 486 P CB 0.838 32.201 31.700 -0.562 0.000 0.822 487 L N -0.813 120.386 121.223 -0.039 0.000 2.528 487 L HA 0.415 4.753 4.340 -0.004 0.000 0.267 487 L C -1.432 175.449 176.870 0.019 0.000 0.961 487 L CA -0.273 54.594 54.840 0.044 0.000 0.866 487 L CB 1.960 44.115 42.059 0.159 0.000 1.248 487 L HN -0.274 nan 8.230 nan 0.000 0.404 488 S N 5.044 120.740 115.700 -0.006 0.000 2.570 488 S HA 0.694 5.162 4.470 -0.004 0.000 0.286 488 S C -1.009 173.570 174.600 -0.035 0.000 1.099 488 S CA -0.665 57.523 58.200 -0.021 0.000 0.913 488 S CB 2.243 65.433 63.200 -0.017 0.000 1.085 488 S HN 0.471 nan 8.310 nan 0.000 0.480 489 L N 2.621 123.801 121.223 -0.072 0.000 2.313 489 L HA 0.596 4.933 4.340 -0.004 0.000 0.283 489 L C -1.016 175.898 176.870 0.074 0.000 1.013 489 L CA -0.562 54.220 54.840 -0.097 0.000 0.816 489 L CB 1.210 42.954 42.059 -0.525 0.000 1.236 489 L HN 0.531 nan 8.230 nan 0.000 0.419 490 I N 3.035 123.739 120.570 0.224 0.000 2.339 490 I HA 0.240 4.407 4.170 -0.004 0.000 0.290 490 I C 0.042 176.360 176.117 0.335 0.000 0.994 490 I CA -0.355 61.074 61.300 0.214 0.000 1.191 490 I CB 1.921 39.999 38.000 0.129 0.000 1.343 490 I HN 0.631 nan 8.210 nan 0.000 0.458 491 Q N 5.090 125.075 119.800 0.309 0.000 2.296 491 Q HA 0.448 4.786 4.340 -0.004 0.000 0.257 491 Q C -0.118 175.938 176.000 0.094 0.000 0.942 491 Q CA -0.513 55.450 55.803 0.267 0.000 0.939 491 Q CB 1.449 30.393 28.738 0.343 0.000 1.198 491 Q HN 0.865 nan 8.270 nan 0.000 0.429 492 G N 5.344 114.154 108.800 0.016 0.000 3.102 492 G HA2 0.394 4.351 3.960 -0.004 0.000 0.345 492 G HA3 0.394 4.351 3.960 -0.004 0.000 0.345 492 G C -2.689 172.143 174.900 -0.113 0.000 1.200 492 G CA -1.239 43.835 45.100 -0.044 0.000 1.163 492 G HN 0.507 nan 8.290 nan 0.000 0.465 493 P HA 0.139 nan 4.420 nan 0.000 0.271 493 P C -2.524 174.628 177.300 -0.248 0.000 1.233 493 P CA -1.210 61.639 63.100 -0.417 0.000 0.789 493 P CB 0.108 31.256 31.700 -0.919 0.000 0.951 494 P HA -0.036 nan 4.420 nan 0.000 0.258 494 P C 0.960 178.199 177.300 -0.102 0.000 1.172 494 P CA 1.839 64.874 63.100 -0.108 0.000 0.762 494 P CB -0.409 31.248 31.700 -0.071 0.000 0.764 495 G N 2.654 111.420 108.800 -0.057 0.000 2.159 495 G HA2 -0.285 3.673 3.960 -0.004 0.000 0.256 495 G HA3 -0.285 3.673 3.960 -0.004 0.000 0.256 495 G C 0.751 175.680 174.900 0.047 0.000 0.977 495 G CA 0.530 45.622 45.100 -0.013 0.000 0.652 495 G HN 0.622 nan 8.290 nan 0.000 0.531 496 T N -2.007 112.547 114.554 0.001 0.000 3.107 496 T HA 0.464 4.812 4.350 -0.004 0.000 0.249 496 T C 1.965 176.707 174.700 0.070 0.000 1.096 496 T CA 1.235 63.356 62.100 0.034 0.000 1.012 496 T CB 0.446 69.273 68.868 -0.067 0.000 0.977 496 T HN 2.180 nan 8.240 nan 0.000 0.527 497 G N 1.735 110.555 108.800 0.034 0.000 2.165 497 G HA2 -0.261 3.697 3.960 -0.004 0.000 0.226 497 G HA3 -0.261 3.697 3.960 -0.004 0.000 0.226 497 G C 0.627 175.518 174.900 -0.016 0.000 1.035 497 G CA 0.237 45.331 45.100 -0.010 0.000 0.744 497 G HN 0.524 nan 8.290 nan 0.000 0.501 498 K N -0.557 119.834 120.400 -0.016 0.000 2.034 498 K HA -0.148 4.169 4.320 -0.004 0.000 0.214 498 K C 2.709 179.302 176.600 -0.011 0.000 1.051 498 K CA 2.295 58.575 56.287 -0.011 0.000 0.931 498 K CB -0.316 32.173 32.500 -0.018 0.000 0.715 498 K HN 0.426 nan 8.250 nan 0.000 0.446 499 T N 0.679 115.222 114.554 -0.019 0.000 2.674 499 T HA -0.130 4.217 4.350 -0.004 0.000 0.265 499 T C 1.891 176.579 174.700 -0.019 0.000 1.039 499 T CA 1.297 63.386 62.100 -0.018 0.000 1.150 499 T CB -0.378 68.477 68.868 -0.022 0.000 0.864 499 T HN 0.043 nan 8.240 nan 0.000 0.427 500 V N 1.361 121.256 119.914 -0.032 0.000 2.469 500 V HA -0.210 3.908 4.120 -0.004 0.000 0.251 500 V C 2.484 178.568 176.094 -0.017 0.000 1.064 500 V CA 2.287 64.564 62.300 -0.037 0.000 1.066 500 V CB -0.921 30.865 31.823 -0.062 0.000 0.667 500 V HN 0.583 nan 8.190 nan 0.000 0.461 501 T N -0.303 114.248 114.554 -0.005 0.000 2.737 501 T HA -0.137 4.211 4.350 -0.004 0.000 0.265 501 T C 2.039 176.758 174.700 0.032 0.000 1.038 501 T CA 1.822 63.932 62.100 0.017 0.000 1.144 501 T CB -0.276 68.601 68.868 0.016 0.000 0.866 501 T HN 0.597 nan 8.240 nan 0.000 0.434 502 S N 1.697 117.410 115.700 0.021 0.000 2.368 502 S HA -0.044 4.423 4.470 -0.004 0.000 0.225 502 S C 2.600 177.217 174.600 0.029 0.000 1.030 502 S CA 0.973 59.189 58.200 0.026 0.000 0.999 502 S CB -0.628 62.581 63.200 0.014 0.000 0.844 502 S HN 0.578 nan 8.310 nan 0.000 0.459 503 A N 1.451 124.280 122.820 0.014 0.000 1.908 503 A HA -0.136 4.182 4.320 -0.004 0.000 0.218 503 A C 2.340 179.937 177.584 0.021 0.000 1.181 503 A CA 2.109 54.152 52.037 0.011 0.000 0.627 503 A CB -1.358 17.635 19.000 -0.012 0.000 0.818 503 A HN 0.479 nan 8.150 nan 0.000 0.445 504 T N 0.207 114.772 114.554 0.018 0.000 2.777 504 T HA -0.079 4.268 4.350 -0.004 0.000 0.266 504 T C 1.792 176.568 174.700 0.126 0.000 1.040 504 T CA 1.513 63.632 62.100 0.031 0.000 1.141 504 T CB -0.401 68.512 68.868 0.076 0.000 0.868 504 T HN 0.427 nan 8.240 nan 0.000 0.444 505 I N 0.786 121.442 120.570 0.143 0.000 2.179 505 I HA -0.154 4.013 4.170 -0.004 0.000 0.242 505 I C 2.441 178.635 176.117 0.128 0.000 1.088 505 I CA 0.948 62.350 61.300 0.170 0.000 1.357 505 I CB -0.411 37.653 38.000 0.106 0.000 1.051 505 I HN 0.075 nan 8.210 nan 0.000 0.409 506 V N 0.053 120.017 119.914 0.083 0.000 2.407 506 V HA -0.314 3.803 4.120 -0.004 0.000 0.248 506 V C 2.261 178.388 176.094 0.055 0.000 1.055 506 V CA 1.841 64.176 62.300 0.058 0.000 1.049 506 V CB -0.821 31.027 31.823 0.041 0.000 0.662 506 V HN 0.437 nan 8.190 nan 0.000 0.455 507 Y N 0.780 121.022 120.300 -0.097 0.000 2.128 507 Y HA -0.288 4.259 4.550 -0.004 0.000 0.284 507 Y C 2.718 178.516 175.900 -0.170 0.000 1.154 507 Y CA 2.199 60.193 58.100 -0.177 0.000 1.149 507 Y CB -0.356 37.925 38.460 -0.299 0.000 0.976 507 Y HN 0.369 nan 8.280 nan 0.000 0.505 508 H N -0.251 118.832 119.070 0.022 0.000 2.395 508 H HA -0.068 4.485 4.556 -0.004 0.000 0.299 508 H C 2.417 177.693 175.328 -0.087 0.000 1.070 508 H CA 1.646 57.650 56.048 -0.075 0.000 1.356 508 H CB -0.443 29.353 29.762 0.056 0.000 1.401 508 H HN 0.395 nan 8.280 nan 0.000 0.524 509 L N 0.385 121.652 121.223 0.073 0.000 2.012 509 L HA -0.160 4.178 4.340 -0.004 0.000 0.210 509 L C 2.921 179.776 176.870 -0.026 0.000 1.073 509 L CA 1.064 55.919 54.840 0.025 0.000 0.748 509 L CB -0.613 41.467 42.059 0.035 0.000 0.891 509 L HN 0.189 nan 8.230 nan 0.000 0.431 510 A N 0.266 123.050 122.820 -0.060 0.000 1.958 510 A HA -0.243 4.074 4.320 -0.004 0.000 0.221 510 A C 2.262 179.773 177.584 -0.123 0.000 1.178 510 A CA 1.914 53.898 52.037 -0.087 0.000 0.642 510 A CB -0.524 18.408 19.000 -0.114 0.000 0.816 510 A HN 0.429 nan 8.150 nan 0.000 0.453 511 R N -0.802 119.592 120.500 -0.178 0.000 2.334 511 R HA 0.092 4.429 4.340 -0.004 0.000 0.216 511 R C 1.380 177.624 176.300 -0.093 0.000 0.905 511 R CA 0.147 56.146 56.100 -0.169 0.000 1.064 511 R CB 0.151 30.288 30.300 -0.273 0.000 1.046 511 R HN 0.508 nan 8.270 nan 0.000 0.508 512 Q N -0.220 119.544 119.800 -0.061 0.000 2.369 512 Q HA 0.025 4.362 4.340 -0.004 0.000 0.206 512 Q C 1.320 177.294 176.000 -0.042 0.000 0.963 512 Q CA 1.161 56.939 55.803 -0.042 0.000 0.894 512 Q CB 0.258 28.980 28.738 -0.026 0.000 0.965 512 Q HN 0.520 nan 8.270 nan 0.000 0.475 513 G N 1.769 110.540 108.800 -0.048 0.000 2.162 513 G HA2 -0.234 3.723 3.960 -0.004 0.000 0.260 513 G HA3 -0.234 3.723 3.960 -0.004 0.000 0.260 513 G C 0.112 174.990 174.900 -0.037 0.000 0.976 513 G CA 0.267 45.340 45.100 -0.045 0.000 0.655 513 G HN 0.310 nan 8.290 nan 0.000 0.533 514 N N 1.835 120.516 118.700 -0.032 0.000 3.259 514 N HA 0.471 5.208 4.740 -0.004 0.000 0.308 514 N C 1.214 176.702 175.510 -0.036 0.000 1.334 514 N CA 1.245 54.276 53.050 -0.032 0.000 1.202 514 N CB -0.120 38.352 38.487 -0.024 0.000 1.485 514 N HN 1.538 nan 8.380 nan 0.000 0.549 515 G N 1.421 110.195 108.800 -0.043 0.000 2.855 515 G HA2 -0.227 3.731 3.960 -0.004 0.000 0.352 515 G HA3 -0.227 3.731 3.960 -0.004 0.000 0.352 515 G C -2.845 172.045 174.900 -0.016 0.000 1.415 515 G CA -1.091 43.976 45.100 -0.055 0.000 0.871 515 G HN 0.278 nan 8.290 nan 0.000 0.543 516 P HA 0.454 nan 4.420 nan 0.000 0.275 516 P C 0.180 177.597 177.300 0.196 0.000 1.227 516 P CA -0.521 62.636 63.100 0.095 0.000 0.781 516 P CB 1.040 32.831 31.700 0.153 0.000 0.906 517 V N 3.690 123.685 119.914 0.135 0.000 2.583 517 V HA 0.099 4.217 4.120 -0.004 0.000 0.287 517 V C 0.499 176.649 176.094 0.093 0.000 1.051 517 V CA -0.298 62.075 62.300 0.121 0.000 1.010 517 V CB 0.819 32.672 31.823 0.050 0.000 0.988 517 V HN 0.385 nan 8.190 nan 0.000 0.478 518 L N 6.265 127.488 121.223 0.001 0.000 2.275 518 L HA 0.583 4.921 4.340 -0.004 0.000 0.288 518 L C -0.371 176.400 176.870 -0.166 0.000 1.046 518 L CA 0.337 55.010 54.840 -0.279 0.000 0.805 518 L CB 1.457 43.101 42.059 -0.693 0.000 1.193 518 L HN 0.457 nan 8.230 nan 0.000 0.426 519 V N 4.905 124.729 119.914 -0.149 0.000 2.444 519 V HA 0.557 4.674 4.120 -0.004 0.000 0.294 519 V C -0.390 175.638 176.094 -0.111 0.000 1.022 519 V CA -0.460 61.782 62.300 -0.097 0.000 0.850 519 V CB 1.397 33.185 31.823 -0.057 0.000 0.992 519 V HN 0.937 nan 8.190 nan 0.000 0.426 520 C N 3.077 122.319 119.300 -0.097 0.000 3.108 520 C HA 1.049 5.507 4.460 -0.004 0.000 0.321 520 C C 0.215 175.165 174.990 -0.067 0.000 1.357 520 C CA -0.649 58.313 59.018 -0.094 0.000 1.562 520 C CB 1.795 29.468 27.740 -0.111 0.000 2.003 520 C HN 1.072 nan 8.230 nan 0.000 0.460 521 A N 0.652 123.432 122.820 -0.066 0.000 2.604 521 A HA 0.759 5.077 4.320 -0.004 0.000 0.295 521 A C -2.647 174.902 177.584 -0.058 0.000 1.067 521 A CA -0.734 51.270 52.037 -0.054 0.000 0.683 521 A CB 0.615 19.588 19.000 -0.046 0.000 1.281 521 A HN 0.456 nan 8.150 nan 0.000 0.407 522 P HA -0.070 nan 4.420 nan 0.000 0.218 522 P C 0.663 177.931 177.300 -0.053 0.000 1.148 522 P CA 1.959 65.026 63.100 -0.054 0.000 0.822 522 P CB 0.106 31.780 31.700 -0.044 0.000 0.784 523 S N -2.270 113.403 115.700 -0.046 0.000 2.568 523 S HA 0.324 4.791 4.470 -0.004 0.000 0.302 523 S C 0.783 175.359 174.600 -0.040 0.000 1.082 523 S CA -0.732 57.444 58.200 -0.041 0.000 1.009 523 S CB 1.162 64.343 63.200 -0.032 0.000 1.069 523 S HN -0.162 nan 8.310 nan 0.000 0.500 524 N N 0.887 119.564 118.700 -0.038 0.000 2.223 524 N HA -0.047 4.691 4.740 -0.004 0.000 0.185 524 N C 1.507 177.000 175.510 -0.029 0.000 1.016 524 N CA 1.306 54.335 53.050 -0.035 0.000 0.863 524 N CB -0.372 38.096 38.487 -0.030 0.000 0.983 524 N HN 0.704 nan 8.380 nan 0.000 0.429 525 I N 0.430 120.985 120.570 -0.025 0.000 2.315 525 I HA -0.213 3.954 4.170 -0.004 0.000 0.248 525 I C 2.028 178.132 176.117 -0.022 0.000 1.117 525 I CA 0.785 62.073 61.300 -0.020 0.000 1.404 525 I CB -0.030 37.961 38.000 -0.016 0.000 1.071 525 I HN 0.147 nan 8.210 nan 0.000 0.419 526 A N -0.422 122.382 122.820 -0.026 0.000 1.930 526 A HA -0.119 4.198 4.320 -0.004 0.000 0.217 526 A C 2.312 179.877 177.584 -0.032 0.000 1.175 526 A CA 1.721 53.741 52.037 -0.028 0.000 0.627 526 A CB -0.933 18.048 19.000 -0.031 0.000 0.815 526 A HN 0.312 nan 8.150 nan 0.000 0.443 527 V N 0.579 120.471 119.914 -0.038 0.000 2.307 527 V HA -0.235 3.882 4.120 -0.004 0.000 0.245 527 V C 2.202 178.272 176.094 -0.042 0.000 1.045 527 V CA 2.337 64.611 62.300 -0.045 0.000 1.024 527 V CB -0.839 30.952 31.823 -0.054 0.000 0.651 527 V HN 0.485 nan 8.190 nan 0.000 0.449 528 D N -0.367 120.011 120.400 -0.038 0.000 2.116 528 D HA -0.228 4.409 4.640 -0.004 0.000 0.193 528 D C 2.292 178.578 176.300 -0.023 0.000 0.998 528 D CA 1.458 55.438 54.000 -0.034 0.000 0.836 528 D CB -0.251 40.534 40.800 -0.024 0.000 0.951 528 D HN 0.483 nan 8.370 nan 0.000 0.449 529 Q N -0.664 119.126 119.800 -0.017 0.000 2.084 529 Q HA -0.114 4.223 4.340 -0.004 0.000 0.202 529 Q C 2.003 177.997 176.000 -0.010 0.000 0.978 529 Q CA 0.658 56.455 55.803 -0.010 0.000 0.844 529 Q CB -0.081 28.649 28.738 -0.012 0.000 0.898 529 Q HN 0.159 nan 8.270 nan 0.000 0.426 530 L N -0.135 121.078 121.223 -0.017 0.000 2.072 530 L HA -0.119 4.218 4.340 -0.004 0.000 0.205 530 L C 2.092 178.956 176.870 -0.010 0.000 1.079 530 L CA 1.859 56.690 54.840 -0.015 0.000 0.752 530 L CB -0.869 41.177 42.059 -0.021 0.000 0.906 530 L HN 0.171 nan 8.230 nan 0.000 0.436 531 T N -0.756 113.784 114.554 -0.023 0.000 2.720 531 T HA -0.253 4.094 4.350 -0.004 0.000 0.268 531 T C 1.769 176.471 174.700 0.003 0.000 1.037 531 T CA 1.746 63.828 62.100 -0.031 0.000 1.144 531 T CB -0.084 68.739 68.868 -0.075 0.000 0.864 531 T HN 0.435 nan 8.240 nan 0.000 0.444 532 E N 0.549 120.755 120.200 0.011 0.000 2.077 532 E HA -0.154 4.193 4.350 -0.004 0.000 0.193 532 E C 2.253 178.908 176.600 0.092 0.000 0.989 532 E CA 0.894 57.332 56.400 0.063 0.000 0.800 532 E CB 0.089 29.821 29.700 0.055 0.000 0.746 532 E HN 0.229 nan 8.360 nan 0.000 0.452 533 K N 0.387 120.812 120.400 0.043 0.000 2.057 533 K HA -0.130 4.187 4.320 -0.004 0.000 0.207 533 K C 2.253 178.867 176.600 0.022 0.000 1.049 533 K CA 1.031 57.330 56.287 0.021 0.000 0.931 533 K CB -0.289 32.208 32.500 -0.005 0.000 0.714 533 K HN 0.292 nan 8.250 nan 0.000 0.440 534 I N 0.508 121.099 120.570 0.035 0.000 2.179 534 I HA -0.312 3.855 4.170 -0.004 0.000 0.242 534 I C 2.674 178.826 176.117 0.059 0.000 1.088 534 I CA 1.245 62.568 61.300 0.039 0.000 1.357 534 I CB -0.483 37.541 38.000 0.040 0.000 1.051 534 I HN 0.336 nan 8.210 nan 0.000 0.409 535 H N 1.577 120.647 119.070 0.001 0.000 2.426 535 H HA -0.206 4.348 4.556 -0.004 0.000 0.298 535 H C 1.946 177.294 175.328 0.032 0.000 1.107 535 H CA 1.556 57.616 56.048 0.021 0.000 1.298 535 H CB 0.145 29.928 29.762 0.034 0.000 1.377 535 H HN 0.494 nan 8.280 nan 0.000 0.519 536 Q N -0.105 119.670 119.800 -0.041 0.000 2.291 536 Q HA -0.087 4.250 4.340 -0.004 0.000 0.206 536 Q C 2.098 178.009 176.000 -0.149 0.000 0.976 536 Q CA 1.629 57.372 55.803 -0.099 0.000 0.875 536 Q CB -0.083 28.633 28.738 -0.038 0.000 0.927 536 Q HN 0.593 nan 8.270 nan 0.000 0.450 537 T N -3.680 110.793 114.554 -0.136 0.000 3.113 537 T HA 0.230 4.577 4.350 -0.004 0.000 0.256 537 T C 1.371 176.033 174.700 -0.062 0.000 1.131 537 T CA 0.659 62.667 62.100 -0.153 0.000 1.074 537 T CB 0.417 69.178 68.868 -0.177 0.000 0.944 537 T HN 0.430 nan 8.240 nan 0.000 0.516 538 G N 0.973 109.704 108.800 -0.116 0.000 2.157 538 G HA2 -0.191 3.766 3.960 -0.004 0.000 0.239 538 G HA3 -0.191 3.766 3.960 -0.004 0.000 0.239 538 G C -0.051 174.833 174.900 -0.026 0.000 0.982 538 G CA 0.011 45.049 45.100 -0.103 0.000 0.650 538 G HN 0.613 nan 8.290 nan 0.000 0.527 539 L N 0.195 121.429 121.223 0.018 0.000 2.464 539 L HA 0.307 4.644 4.340 -0.004 0.000 0.264 539 L C 1.086 177.977 176.870 0.035 0.000 1.199 539 L CA -0.147 54.714 54.840 0.034 0.000 0.818 539 L CB 0.419 42.511 42.059 0.055 0.000 1.102 539 L HN 0.032 nan 8.230 nan 0.000 0.473 540 K N 1.832 122.251 120.400 0.031 0.000 2.228 540 K HA 0.246 4.564 4.320 -0.004 0.000 0.284 540 K C -1.006 175.614 176.600 0.033 0.000 1.088 540 K CA -0.245 56.065 56.287 0.038 0.000 0.941 540 K CB 0.438 32.950 32.500 0.021 0.000 1.158 540 K HN 0.239 nan 8.250 nan 0.000 0.438 541 V N 3.735 123.675 119.914 0.044 0.000 2.427 541 V HA 0.254 4.371 4.120 -0.004 0.000 0.286 541 V C -0.007 176.056 176.094 -0.052 0.000 1.034 541 V CA -0.927 61.376 62.300 0.004 0.000 0.893 541 V CB 1.721 33.552 31.823 0.013 0.000 0.982 541 V HN 0.326 nan 8.190 nan 0.000 0.452 542 V N 5.152 125.034 119.914 -0.053 0.000 2.409 542 V HA 0.505 4.623 4.120 -0.004 0.000 0.291 542 V C 0.116 176.157 176.094 -0.089 0.000 1.020 542 V CA -0.839 61.414 62.300 -0.079 0.000 0.848 542 V CB 1.707 33.504 31.823 -0.043 0.000 0.990 542 V HN 0.710 nan 8.190 nan 0.000 0.430 543 R N 3.801 124.222 120.500 -0.131 0.000 2.202 543 R HA 0.432 4.769 4.340 -0.004 0.000 0.334 543 R C -0.970 175.280 176.300 -0.084 0.000 1.036 543 R CA -0.652 55.377 56.100 -0.118 0.000 0.878 543 R CB 0.945 31.148 30.300 -0.161 0.000 1.067 543 R HN 0.649 nan 8.270 nan 0.000 0.457 544 L N 5.450 126.638 121.223 -0.059 0.000 2.289 544 L HA 0.431 4.768 4.340 -0.004 0.000 0.285 544 L C -0.455 176.402 176.870 -0.022 0.000 1.049 544 L CA -0.132 54.690 54.840 -0.030 0.000 0.804 544 L CB 0.834 42.874 42.059 -0.032 0.000 1.195 544 L HN 0.838 nan 8.230 nan 0.000 0.428 545 C N 2.479 121.787 119.300 0.014 0.000 3.213 545 C HA 0.960 5.418 4.460 -0.004 0.000 0.319 545 C C 0.475 175.456 174.990 -0.016 0.000 1.386 545 C CA -0.739 58.279 59.018 -0.001 0.000 1.494 545 C CB 0.783 28.532 27.740 0.016 0.000 1.905 545 C HN 1.136 nan 8.230 nan 0.000 0.456 546 A N 0.676 123.470 122.820 -0.045 0.000 2.445 546 A HA 0.326 4.644 4.320 -0.004 0.000 0.242 546 A C 1.333 178.860 177.584 -0.095 0.000 1.075 546 A CA 0.120 52.118 52.037 -0.065 0.000 0.777 546 A CB 0.114 19.072 19.000 -0.072 0.000 1.013 546 A HN 1.109 nan 8.150 nan 0.000 0.493 547 K N 1.095 121.439 120.400 -0.095 0.000 2.209 547 K HA -0.141 4.176 4.320 -0.004 0.000 0.204 547 K C 1.803 178.280 176.600 -0.205 0.000 1.048 547 K CA 1.842 58.049 56.287 -0.133 0.000 0.940 547 K CB -0.135 32.318 32.500 -0.078 0.000 0.729 547 K HN 0.827 nan 8.250 nan 0.000 0.451 548 S N 0.129 115.713 115.700 -0.193 0.000 2.515 548 S HA -0.020 4.447 4.470 -0.004 0.000 0.231 548 S C 1.312 175.708 174.600 -0.340 0.000 0.987 548 S CA 0.266 58.264 58.200 -0.336 0.000 0.936 548 S CB -0.083 63.037 63.200 -0.134 0.000 0.766 548 S HN 0.315 nan 8.310 nan 0.000 0.528 549 R N 0.713 121.087 120.500 -0.210 0.000 2.468 549 R HA 0.294 4.631 4.340 -0.004 0.000 0.280 549 R C 0.816 177.025 176.300 -0.152 0.000 0.963 549 R CA -0.010 56.002 56.100 -0.147 0.000 1.083 549 R CB 0.010 30.264 30.300 -0.078 0.000 1.200 549 R HN 0.562 nan 8.270 nan 0.000 0.541 550 E N 1.200 121.235 120.200 -0.274 0.000 2.268 550 E HA -0.079 4.268 4.350 -0.004 0.000 0.195 550 E C 1.561 178.048 176.600 -0.188 0.000 0.995 550 E CA 0.972 57.109 56.400 -0.438 0.000 0.836 550 E CB 0.156 29.399 29.700 -0.761 0.000 0.763 550 E HN 0.285 nan 8.360 nan 0.000 0.491 551 A N 0.660 123.400 122.820 -0.134 0.000 2.218 551 A HA 0.066 4.384 4.320 -0.004 0.000 0.209 551 A C 0.827 178.406 177.584 -0.008 0.000 1.168 551 A CA -0.030 51.978 52.037 -0.048 0.000 0.804 551 A CB -0.025 18.949 19.000 -0.043 0.000 0.834 551 A HN 0.010 nan 8.150 nan 0.000 0.482 552 I N 1.448 122.010 120.570 -0.014 0.000 2.529 552 I HA 0.147 4.314 4.170 -0.004 0.000 0.284 552 I C -0.254 175.883 176.117 0.033 0.000 1.082 552 I CA 0.032 61.336 61.300 0.007 0.000 1.406 552 I CB 0.615 38.613 38.000 -0.003 0.000 1.405 552 I HN 0.088 nan 8.210 nan 0.000 0.548 553 D N 3.462 123.881 120.400 0.032 0.000 2.277 553 D HA 0.709 5.347 4.640 -0.004 0.000 0.250 553 D C -0.427 175.892 176.300 0.031 0.000 1.032 553 D CA -0.072 53.952 54.000 0.039 0.000 0.947 553 D CB 1.784 42.606 40.800 0.038 0.000 1.159 553 D HN 0.577 nan 8.370 nan 0.000 0.460 554 S N -0.744 114.978 115.700 0.037 0.000 2.587 554 S HA 0.420 4.887 4.470 -0.004 0.000 0.269 554 S C -2.620 172.011 174.600 0.052 0.000 1.154 554 S CA -0.952 57.266 58.200 0.031 0.000 0.824 554 S CB 1.592 64.800 63.200 0.014 0.000 1.118 554 S HN 0.033 nan 8.310 nan 0.000 0.462 555 P HA 0.036 nan 4.420 nan 0.000 0.225 555 P C 0.970 178.377 177.300 0.179 0.000 1.148 555 P CA 1.080 64.233 63.100 0.089 0.000 0.779 555 P CB -0.194 31.544 31.700 0.064 0.000 0.780 556 V N -5.576 114.388 119.914 0.084 0.000 3.006 556 V HA 0.317 4.435 4.120 -0.004 0.000 0.357 556 V C 1.483 177.484 176.094 -0.155 0.000 1.377 556 V CA -0.015 62.246 62.300 -0.065 0.000 1.198 556 V CB -0.378 31.335 31.823 -0.183 0.000 1.216 556 V HN -0.160 nan 8.190 nan 0.000 0.520 557 S N 2.101 117.814 115.700 0.021 0.000 2.383 557 S HA -0.141 4.327 4.470 -0.004 0.000 0.229 557 S C 1.549 176.098 174.600 -0.085 0.000 1.030 557 S CA 2.235 60.422 58.200 -0.021 0.000 1.002 557 S CB -0.543 62.690 63.200 0.055 0.000 0.829 557 S HN 1.014 nan 8.310 nan 0.000 0.467 558 F N 0.456 120.333 119.950 -0.122 0.000 2.408 558 F HA 0.032 4.556 4.527 -0.004 0.000 0.300 558 F C 1.370 177.081 175.800 -0.148 0.000 1.090 558 F CA 0.494 58.417 58.000 -0.128 0.000 1.427 558 F CB -0.345 38.589 39.000 -0.111 0.000 1.070 558 F HN 0.071 nan 8.300 nan 0.000 0.549 559 L N 1.030 121.696 121.223 -0.927 0.000 2.529 559 L HA 0.385 4.722 4.340 -0.004 0.000 0.223 559 L C 1.457 178.100 176.870 -0.379 0.000 1.113 559 L CA -0.362 54.063 54.840 -0.692 0.000 0.861 559 L CB -1.445 40.131 42.059 -0.805 0.000 1.012 559 L HN 0.246 nan 8.230 nan 0.000 0.461 560 A N -0.300 122.308 122.820 -0.354 0.000 2.520 560 A HA 0.073 4.391 4.320 -0.004 0.000 0.245 560 A C 1.502 178.898 177.584 -0.314 0.000 1.072 560 A CA -0.104 51.737 52.037 -0.326 0.000 0.761 560 A CB 0.036 18.752 19.000 -0.474 0.000 1.004 560 A HN 0.260 nan 8.150 nan 0.000 0.499 561 L N 3.221 124.341 121.223 -0.173 0.000 2.021 561 L HA -0.274 4.063 4.340 -0.004 0.000 0.215 561 L C 2.624 179.442 176.870 -0.087 0.000 1.074 561 L CA 3.015 57.798 54.840 -0.096 0.000 0.760 561 L CB -0.788 41.257 42.059 -0.024 0.000 0.889 561 L HN 0.941 nan 8.230 nan 0.000 0.433 562 H N -2.064 116.988 119.070 -0.030 0.000 2.421 562 H HA -0.067 4.486 4.556 -0.005 0.000 0.298 562 H C 1.507 176.833 175.328 -0.003 0.000 1.087 562 H CA 1.392 57.432 56.048 -0.013 0.000 1.330 562 H CB -0.519 29.237 29.762 -0.009 0.000 1.388 562 H HN 0.436 nan 8.280 nan 0.000 0.526 563 N N 0.964 119.388 118.700 -0.460 0.000 2.333 563 N HA -0.072 4.665 4.740 -0.004 0.000 0.178 563 N C 2.079 177.526 175.510 -0.105 0.000 1.018 563 N CA 0.577 53.490 53.050 -0.228 0.000 0.882 563 N CB -0.020 38.293 38.487 -0.291 0.000 0.984 563 N HN 0.569 nan 8.380 nan 0.000 0.434 564 Q N 0.537 120.263 119.800 -0.123 0.000 2.079 564 Q HA 0.006 4.344 4.340 -0.004 0.000 0.200 564 Q C 2.058 178.042 176.000 -0.027 0.000 0.974 564 Q CA 0.826 56.593 55.803 -0.061 0.000 0.840 564 Q CB 0.004 28.700 28.738 -0.071 0.000 0.898 564 Q HN 0.389 nan 8.270 nan 0.000 0.430 565 I N 0.437 120.994 120.570 -0.022 0.000 2.226 565 I HA -0.288 3.879 4.170 -0.004 0.000 0.245 565 I C 2.359 178.487 176.117 0.018 0.000 1.100 565 I CA 1.194 62.494 61.300 -0.001 0.000 1.374 565 I CB -0.205 37.798 38.000 0.005 0.000 1.057 565 I HN 0.133 nan 8.210 nan 0.000 0.413 566 R N 0.665 121.185 120.500 0.033 0.000 2.120 566 R HA -0.149 4.188 4.340 -0.004 0.000 0.234 566 R C 1.300 177.620 176.300 0.035 0.000 1.123 566 R CA 1.567 57.697 56.100 0.049 0.000 0.975 566 R CB -0.352 29.987 30.300 0.064 0.000 0.866 566 R HN 0.426 nan 8.270 nan 0.000 0.446 567 N N -0.429 118.284 118.700 0.022 0.000 2.314 567 N HA 0.101 4.839 4.740 -0.004 0.000 0.200 567 N C -0.394 175.126 175.510 0.018 0.000 1.135 567 N CA -0.052 53.010 53.050 0.022 0.000 0.835 567 N CB 0.423 38.924 38.487 0.023 0.000 0.989 567 N HN 0.012 nan 8.380 nan 0.000 0.478 568 M N 1.103 120.712 119.600 0.014 0.000 2.538 568 M HA 0.007 4.485 4.480 -0.004 0.000 0.327 568 M C -0.044 176.264 176.300 0.013 0.000 1.545 568 M CA 0.283 55.590 55.300 0.010 0.000 1.380 568 M CB 0.453 33.055 32.600 0.004 0.000 1.657 568 M HN 0.089 nan 8.290 nan 0.000 0.459 569 D N 0.189 120.597 120.400 0.013 0.000 2.269 569 D HA -0.104 4.534 4.640 -0.004 0.000 0.208 569 D C 1.859 178.165 176.300 0.010 0.000 0.963 569 D CA 1.056 55.064 54.000 0.013 0.000 0.864 569 D CB 0.130 40.938 40.800 0.012 0.000 0.936 569 D HN 0.561 nan 8.370 nan 0.000 0.505 570 S N -0.482 115.222 115.700 0.007 0.000 2.500 570 S HA -0.077 4.390 4.470 -0.004 0.000 0.239 570 S C 1.055 175.657 174.600 0.004 0.000 0.989 570 S CA 0.468 58.670 58.200 0.004 0.000 0.951 570 S CB -0.254 62.947 63.200 0.002 0.000 0.759 570 S HN 0.180 nan 8.310 nan 0.000 0.523 571 M N 1.758 121.361 119.600 0.006 0.000 2.488 571 M HA 0.305 4.782 4.480 -0.004 0.000 0.204 571 M C -2.327 173.982 176.300 0.014 0.000 0.969 571 M CA -1.729 53.574 55.300 0.006 0.000 0.720 571 M CB 1.832 34.431 32.600 -0.001 0.000 1.427 571 M HN -0.024 nan 8.290 nan 0.000 0.427 572 P HA -0.122 nan 4.420 nan 0.000 0.230 572 P C 0.920 178.236 177.300 0.026 0.000 1.158 572 P CA 1.177 64.288 63.100 0.020 0.000 0.769 572 P CB 0.244 31.953 31.700 0.016 0.000 0.807 573 E N -0.240 119.975 120.200 0.025 0.000 2.046 573 E HA -0.143 4.204 4.350 -0.004 0.000 0.190 573 E C 1.917 178.547 176.600 0.051 0.000 0.982 573 E CA 0.519 56.938 56.400 0.032 0.000 0.800 573 E CB -0.397 29.319 29.700 0.026 0.000 0.756 573 E HN -0.002 nan 8.360 nan 0.000 0.449 574 L N 1.487 122.738 121.223 0.046 0.000 2.042 574 L HA -0.224 4.113 4.340 -0.004 0.000 0.210 574 L C 2.175 179.105 176.870 0.100 0.000 1.076 574 L CA 1.817 56.698 54.840 0.069 0.000 0.749 574 L CB -0.469 41.600 42.059 0.017 0.000 0.893 574 L HN 0.171 nan 8.230 nan 0.000 0.432 575 Q N -0.821 119.019 119.800 0.066 0.000 2.124 575 Q HA -0.246 4.092 4.340 -0.004 0.000 0.202 575 Q C 2.291 178.328 176.000 0.062 0.000 0.977 575 Q CA 1.684 57.526 55.803 0.064 0.000 0.850 575 Q CB -0.165 28.599 28.738 0.043 0.000 0.901 575 Q HN 0.507 nan 8.270 nan 0.000 0.429 576 K N 0.547 120.979 120.400 0.054 0.000 2.026 576 K HA -0.112 4.206 4.320 -0.004 0.000 0.208 576 K C 2.041 178.670 176.600 0.049 0.000 1.048 576 K CA 0.960 57.273 56.287 0.043 0.000 0.929 576 K CB -0.045 32.476 32.500 0.035 0.000 0.713 576 K HN 0.177 nan 8.250 nan 0.000 0.439 577 L N 0.462 121.733 121.223 0.080 0.000 2.141 577 L HA -0.177 4.160 4.340 -0.004 0.000 0.209 577 L C 2.573 179.470 176.870 0.045 0.000 1.094 577 L CA 0.828 55.718 54.840 0.083 0.000 0.763 577 L CB -0.232 41.937 42.059 0.183 0.000 0.908 577 L HN 0.184 nan 8.230 nan 0.000 0.437 578 Q N 0.109 119.979 119.800 0.116 0.000 2.119 578 Q HA -0.206 4.131 4.340 -0.004 0.000 0.201 578 Q C 2.184 178.198 176.000 0.023 0.000 0.972 578 Q CA 1.547 57.401 55.803 0.085 0.000 0.847 578 Q CB -0.089 28.746 28.738 0.161 0.000 0.903 578 Q HN 0.384 nan 8.270 nan 0.000 0.433 579 Q N -0.599 119.219 119.800 0.029 0.000 2.112 579 Q HA -0.204 4.134 4.340 -0.004 0.000 0.206 579 Q C 1.971 177.967 176.000 -0.006 0.000 0.987 579 Q CA 1.621 57.433 55.803 0.014 0.000 0.858 579 Q CB -0.213 28.535 28.738 0.017 0.000 0.905 579 Q HN 0.378 nan 8.270 nan 0.000 0.420 580 L N 1.022 122.234 121.223 -0.018 0.000 2.056 580 L HA -0.161 4.177 4.340 -0.004 0.000 0.207 580 L C 2.244 179.078 176.870 -0.059 0.000 1.078 580 L CA 1.748 56.568 54.840 -0.033 0.000 0.749 580 L CB -0.335 41.703 42.059 -0.034 0.000 0.901 580 L HN 0.017 nan 8.230 nan 0.000 0.433 581 K N -0.684 119.654 120.400 -0.102 0.000 2.063 581 K HA -0.196 4.121 4.320 -0.004 0.000 0.208 581 K C 1.425 177.983 176.600 -0.070 0.000 1.048 581 K CA 1.845 58.052 56.287 -0.133 0.000 0.928 581 K CB -0.082 32.272 32.500 -0.243 0.000 0.713 581 K HN 0.390 nan 8.250 nan 0.000 0.442 582 D N 0.112 120.488 120.400 -0.041 0.000 2.317 582 D HA -0.109 4.529 4.640 -0.004 0.000 0.211 582 D C 1.226 177.522 176.300 -0.008 0.000 0.966 582 D CA 0.848 54.839 54.000 -0.015 0.000 0.876 582 D CB 0.206 41.008 40.800 0.003 0.000 0.927 582 D HN 0.585 nan 8.370 nan 0.000 0.519 583 E N -0.273 119.919 120.200 -0.013 0.000 2.481 583 E HA 0.082 4.430 4.350 -0.004 0.000 0.198 583 E C 0.061 176.654 176.600 -0.011 0.000 1.027 583 E CA 0.121 56.517 56.400 -0.008 0.000 0.900 583 E CB 0.526 30.223 29.700 -0.006 0.000 0.993 583 E HN -0.175 nan 8.360 nan 0.000 0.482 584 T N -0.360 114.182 114.554 -0.019 0.000 2.787 584 T HA 0.530 4.877 4.350 -0.004 0.000 0.297 584 T C -0.171 174.515 174.700 -0.024 0.000 1.221 584 T CA -0.335 61.752 62.100 -0.021 0.000 1.006 584 T CB 1.642 70.494 68.868 -0.028 0.000 1.328 584 T HN 0.237 nan 8.240 nan 0.000 0.509 585 G N 0.092 108.880 108.800 -0.019 0.000 2.572 585 G HA2 0.456 4.413 3.960 -0.004 0.000 0.261 585 G HA3 0.456 4.413 3.960 -0.004 0.000 0.261 585 G C -0.267 174.610 174.900 -0.039 0.000 1.197 585 G CA -0.362 44.726 45.100 -0.021 0.000 0.870 585 G HN 0.746 nan 8.290 nan 0.000 0.548 586 E N -0.978 119.196 120.200 -0.043 0.000 2.641 586 E HA -0.067 4.281 4.350 -0.004 0.000 0.272 586 E C 0.038 176.603 176.600 -0.059 0.000 0.990 586 E CA 0.550 56.912 56.400 -0.063 0.000 0.971 586 E CB 0.324 29.998 29.700 -0.042 0.000 0.967 586 E HN 0.199 nan 8.360 nan 0.000 0.464 587 L N 1.732 122.906 121.223 -0.081 0.000 2.375 587 L HA 0.191 4.529 4.340 -0.004 0.000 0.268 587 L C 0.581 177.431 176.870 -0.033 0.000 1.058 587 L CA -0.795 54.005 54.840 -0.066 0.000 0.803 587 L CB 1.249 43.247 42.059 -0.101 0.000 1.212 587 L HN 0.534 nan 8.230 nan 0.000 0.451 588 S N -0.292 115.396 115.700 -0.020 0.000 2.558 588 S HA -0.051 4.416 4.470 -0.004 0.000 0.291 588 S C 1.248 175.850 174.600 0.003 0.000 1.306 588 S CA -0.170 58.026 58.200 -0.006 0.000 1.056 588 S CB 0.800 63.998 63.200 -0.003 0.000 0.836 588 S HN 0.767 nan 8.310 nan 0.000 0.504 589 S N 3.178 118.882 115.700 0.007 0.000 2.407 589 S HA -0.229 4.239 4.470 -0.004 0.000 0.235 589 S C 1.923 176.536 174.600 0.022 0.000 1.036 589 S CA 1.005 59.215 58.200 0.015 0.000 1.013 589 S CB -1.249 61.959 63.200 0.013 0.000 0.820 589 S HN 1.136 nan 8.310 nan 0.000 0.476 590 A N 2.526 125.357 122.820 0.019 0.000 1.832 590 A HA -0.100 4.217 4.320 -0.004 0.000 0.214 590 A C 2.026 179.630 177.584 0.033 0.000 1.200 590 A CA 1.557 53.607 52.037 0.023 0.000 0.610 590 A CB -1.222 17.788 19.000 0.017 0.000 0.842 590 A HN 0.392 nan 8.150 nan 0.000 0.444 591 D N -0.617 119.800 120.400 0.028 0.000 2.191 591 D HA -0.222 4.415 4.640 -0.004 0.000 0.190 591 D C 1.895 178.238 176.300 0.071 0.000 1.007 591 D CA 1.744 55.767 54.000 0.037 0.000 0.865 591 D CB -0.247 40.559 40.800 0.010 0.000 0.929 591 D HN 0.687 nan 8.370 nan 0.000 0.447 592 E N 0.308 120.543 120.200 0.058 0.000 2.072 592 E HA -0.153 4.194 4.350 -0.004 0.000 0.190 592 E C 1.921 178.605 176.600 0.141 0.000 0.982 592 E CA 0.720 57.178 56.400 0.097 0.000 0.803 592 E CB 0.148 29.878 29.700 0.050 0.000 0.755 592 E HN 0.191 nan 8.360 nan 0.000 0.453 593 K N 0.323 120.773 120.400 0.084 0.000 2.032 593 K HA -0.211 4.106 4.320 -0.004 0.000 0.209 593 K C 2.373 179.013 176.600 0.066 0.000 1.048 593 K CA 1.519 57.845 56.287 0.065 0.000 0.927 593 K CB -0.193 32.331 32.500 0.040 0.000 0.712 593 K HN -0.091 nan 8.250 nan 0.000 0.441 594 R N 0.773 121.316 120.500 0.072 0.000 2.083 594 R HA -0.200 4.137 4.340 -0.004 0.000 0.237 594 R C 2.131 178.478 176.300 0.078 0.000 1.137 594 R CA 1.706 57.843 56.100 0.062 0.000 0.951 594 R CB -1.078 29.259 30.300 0.062 0.000 0.851 594 R HN 0.343 nan 8.270 nan 0.000 0.434 595 Y N 0.768 121.071 120.300 0.005 0.000 2.097 595 Y HA -0.230 4.318 4.550 -0.004 0.000 0.282 595 Y C 2.089 177.993 175.900 0.006 0.000 1.152 595 Y CA 2.260 60.364 58.100 0.006 0.000 1.136 595 Y CB -0.263 38.201 38.460 0.007 0.000 0.975 595 Y HN 0.025 nan 8.280 nan 0.000 0.498 596 R N 0.159 120.637 120.500 -0.038 0.000 2.091 596 R HA -0.167 4.170 4.340 -0.004 0.000 0.238 596 R C 2.562 178.780 176.300 -0.136 0.000 1.136 596 R CA 1.187 57.208 56.100 -0.132 0.000 0.959 596 R CB -0.670 29.649 30.300 0.032 0.000 0.856 596 R HN 0.515 nan 8.270 nan 0.000 0.437 597 A N 1.284 124.062 122.820 -0.070 0.000 1.858 597 A HA -0.147 4.170 4.320 -0.004 0.000 0.216 597 A C 2.163 179.697 177.584 -0.084 0.000 1.190 597 A CA 1.239 53.242 52.037 -0.056 0.000 0.617 597 A CB -0.667 18.318 19.000 -0.025 0.000 0.827 597 A HN 0.191 nan 8.150 nan 0.000 0.443 598 L N -0.900 120.265 121.223 -0.098 0.000 2.131 598 L HA -0.183 4.154 4.340 -0.004 0.000 0.210 598 L C 2.601 179.380 176.870 -0.151 0.000 1.092 598 L CA 1.837 56.617 54.840 -0.100 0.000 0.759 598 L CB -0.437 41.578 42.059 -0.074 0.000 0.903 598 L HN 0.465 nan 8.230 nan 0.000 0.435 599 K N 0.425 120.667 120.400 -0.263 0.000 2.103 599 K HA -0.130 4.188 4.320 -0.004 0.000 0.204 599 K C 2.275 178.782 176.600 -0.155 0.000 1.052 599 K CA 0.946 57.066 56.287 -0.279 0.000 0.945 599 K CB 0.100 32.297 32.500 -0.505 0.000 0.722 599 K HN 0.148 nan 8.250 nan 0.000 0.443 600 R N -0.411 120.014 120.500 -0.126 0.000 2.096 600 R HA -0.075 4.262 4.340 -0.004 0.000 0.235 600 R C 2.183 178.448 176.300 -0.060 0.000 1.127 600 R CA 1.790 57.846 56.100 -0.074 0.000 0.968 600 R CB -0.289 29.977 30.300 -0.057 0.000 0.861 600 R HN 0.206 nan 8.270 nan 0.000 0.440 601 T N 0.725 115.241 114.554 -0.063 0.000 2.701 601 T HA -0.125 4.223 4.350 -0.004 0.000 0.263 601 T C 1.946 176.620 174.700 -0.044 0.000 1.040 601 T CA 1.383 63.455 62.100 -0.047 0.000 1.147 601 T CB -0.315 68.527 68.868 -0.044 0.000 0.865 601 T HN 0.375 nan 8.240 nan 0.000 0.426 602 A N 1.661 124.449 122.820 -0.054 0.000 1.903 602 A HA -0.244 4.073 4.320 -0.004 0.000 0.219 602 A C 2.176 179.738 177.584 -0.036 0.000 1.191 602 A CA 2.176 54.186 52.037 -0.044 0.000 0.638 602 A CB -0.757 18.212 19.000 -0.053 0.000 0.823 602 A HN 0.614 nan 8.150 nan 0.000 0.451 603 E N -0.821 119.354 120.200 -0.041 0.000 2.051 603 E HA -0.194 4.153 4.350 -0.004 0.000 0.192 603 E C 2.387 178.974 176.600 -0.021 0.000 0.991 603 E CA 1.257 57.640 56.400 -0.028 0.000 0.799 603 E CB -0.192 29.491 29.700 -0.028 0.000 0.748 603 E HN 0.534 nan 8.360 nan 0.000 0.449 604 R N 0.683 121.168 120.500 -0.025 0.000 2.096 604 R HA -0.131 4.206 4.340 -0.004 0.000 0.235 604 R C 2.294 178.580 176.300 -0.023 0.000 1.127 604 R CA 0.950 57.035 56.100 -0.024 0.000 0.968 604 R CB -0.121 30.162 30.300 -0.028 0.000 0.861 604 R HN 0.188 nan 8.270 nan 0.000 0.440 605 E N 0.813 120.999 120.200 -0.024 0.000 2.051 605 E HA -0.169 4.178 4.350 -0.004 0.000 0.192 605 E C 2.136 178.726 176.600 -0.017 0.000 0.991 605 E CA 1.146 57.534 56.400 -0.021 0.000 0.799 605 E CB -0.066 29.622 29.700 -0.020 0.000 0.748 605 E HN 0.323 nan 8.360 nan 0.000 0.449 606 L N 0.387 121.600 121.223 -0.016 0.000 2.044 606 L HA -0.145 4.192 4.340 -0.004 0.000 0.205 606 L C 2.626 179.493 176.870 -0.006 0.000 1.075 606 L CA 0.694 55.526 54.840 -0.013 0.000 0.747 606 L CB -0.373 41.675 42.059 -0.018 0.000 0.903 606 L HN 0.108 nan 8.230 nan 0.000 0.435 607 L N -1.247 119.976 121.223 -0.000 0.000 2.027 607 L HA -0.195 4.143 4.340 -0.004 0.000 0.206 607 L C 2.729 179.603 176.870 0.007 0.000 1.074 607 L CA 0.889 55.741 54.840 0.019 0.000 0.745 607 L CB -0.465 41.614 42.059 0.033 0.000 0.898 607 L HN 0.284 nan 8.230 nan 0.000 0.433 608 M N -0.189 119.402 119.600 -0.016 0.000 2.202 608 M HA -0.200 4.277 4.480 -0.004 0.000 0.262 608 M C 1.415 177.697 176.300 -0.030 0.000 1.063 608 M CA 1.719 56.996 55.300 -0.037 0.000 1.097 608 M CB -1.416 31.159 32.600 -0.042 0.000 1.382 608 M HN 0.290 nan 8.290 nan 0.000 0.413 609 N N -0.021 118.668 118.700 -0.018 0.000 2.336 609 N HA 0.220 4.958 4.740 -0.004 0.000 0.189 609 N C 0.010 175.517 175.510 -0.005 0.000 1.113 609 N CA -0.118 52.924 53.050 -0.014 0.000 0.858 609 N CB 0.282 38.762 38.487 -0.012 0.000 0.970 609 N HN 0.209 nan 8.380 nan 0.000 0.471 610 A N 0.295 123.118 122.820 0.005 0.000 2.401 610 A HA 0.118 4.435 4.320 -0.004 0.000 0.259 610 A C 0.647 178.242 177.584 0.019 0.000 1.103 610 A CA -0.355 51.691 52.037 0.015 0.000 0.789 610 A CB 0.423 19.440 19.000 0.028 0.000 1.035 610 A HN 0.135 nan 8.150 nan 0.000 0.491 611 D N 0.715 121.122 120.400 0.013 0.000 2.144 611 D HA -0.010 4.627 4.640 -0.004 0.000 0.200 611 D C 0.215 176.531 176.300 0.027 0.000 0.978 611 D CA 1.638 55.642 54.000 0.008 0.000 0.833 611 D CB 0.139 40.936 40.800 -0.004 0.000 0.961 611 D HN 0.261 nan 8.370 nan 0.000 0.470 612 V N 0.869 120.802 119.914 0.032 0.000 2.760 612 V HA 0.365 4.483 4.120 -0.004 0.000 0.309 612 V C -0.419 175.691 176.094 0.027 0.000 1.077 612 V CA -0.742 61.579 62.300 0.034 0.000 0.910 612 V CB 2.710 34.544 31.823 0.019 0.000 1.008 612 V HN -0.160 nan 8.190 nan 0.000 0.424 613 I N 3.154 123.739 120.570 0.025 0.000 2.433 613 I HA 0.524 4.691 4.170 -0.004 0.000 0.292 613 I C -0.567 175.498 176.117 -0.086 0.000 1.001 613 I CA -0.050 61.239 61.300 -0.019 0.000 1.119 613 I CB 1.646 39.658 38.000 0.021 0.000 1.289 613 I HN 0.540 nan 8.210 nan 0.000 0.438 614 C N 5.645 124.896 119.300 -0.082 0.000 2.345 614 C HA 0.823 5.281 4.460 -0.004 0.000 0.323 614 C C -0.036 174.896 174.990 -0.096 0.000 1.276 614 C CA -0.782 58.181 59.018 -0.092 0.000 1.543 614 C CB -0.057 27.638 27.740 -0.076 0.000 2.211 614 C HN 1.021 nan 8.230 nan 0.000 0.493 615 C N 1.492 120.727 119.300 -0.108 0.000 3.295 615 C HA 0.841 5.298 4.460 -0.004 0.000 0.341 615 C C 0.103 175.035 174.990 -0.096 0.000 1.418 615 C CA -0.592 58.368 59.018 -0.096 0.000 1.240 615 C CB 0.674 28.354 27.740 -0.100 0.000 1.562 615 C HN 0.903 nan 8.230 nan 0.000 0.457 616 T N -0.750 113.753 114.554 -0.085 0.000 2.898 616 T HA 0.281 4.629 4.350 -0.004 0.000 0.301 616 T C 1.276 175.917 174.700 -0.098 0.000 1.049 616 T CA 0.409 62.459 62.100 -0.084 0.000 1.095 616 T CB 0.340 69.161 68.868 -0.078 0.000 0.976 616 T HN 0.975 nan 8.240 nan 0.000 0.539 617 C N 1.565 120.808 119.300 -0.095 0.000 2.336 617 C HA -0.140 4.317 4.460 -0.004 0.000 0.275 617 C C 2.986 177.913 174.990 -0.106 0.000 1.175 617 C CA 0.892 59.849 59.018 -0.102 0.000 1.771 617 C CB -1.610 26.074 27.740 -0.093 0.000 2.030 617 C HN 0.859 nan 8.230 nan 0.000 0.442 618 V N 1.210 121.059 119.914 -0.108 0.000 2.380 618 V HA -0.167 3.950 4.120 -0.004 0.000 0.251 618 V C 2.603 178.637 176.094 -0.101 0.000 1.063 618 V CA 2.414 64.645 62.300 -0.115 0.000 1.055 618 V CB -1.470 30.268 31.823 -0.142 0.000 0.657 618 V HN 0.751 nan 8.190 nan 0.000 0.455 619 G N -0.622 108.120 108.800 -0.096 0.000 2.479 619 G HA2 -0.194 3.763 3.960 -0.004 0.000 0.220 619 G HA3 -0.194 3.763 3.960 -0.004 0.000 0.220 619 G C 1.670 176.519 174.900 -0.085 0.000 1.115 619 G CA 0.890 45.939 45.100 -0.084 0.000 0.757 619 G HN 0.639 nan 8.290 nan 0.000 0.560 620 A N 0.621 123.379 122.820 -0.104 0.000 2.070 620 A HA 0.202 4.519 4.320 -0.004 0.000 0.220 620 A C 2.482 180.024 177.584 -0.070 0.000 1.159 620 A CA 1.709 53.676 52.037 -0.117 0.000 0.656 620 A CB -0.511 18.397 19.000 -0.152 0.000 0.800 620 A HN 0.487 nan 8.150 nan 0.000 0.453 621 G N -0.751 108.012 108.800 -0.061 0.000 2.920 621 G HA2 0.025 3.983 3.960 -0.004 0.000 0.208 621 G HA3 0.025 3.983 3.960 -0.004 0.000 0.208 621 G C 0.359 175.242 174.900 -0.027 0.000 1.159 621 G CA 0.226 45.303 45.100 -0.038 0.000 0.784 621 G HN 0.519 nan 8.290 nan 0.000 0.535 622 D N 0.798 121.179 120.400 -0.031 0.000 2.548 622 D HA -0.008 4.629 4.640 -0.004 0.000 0.231 622 D C -1.096 175.202 176.300 -0.003 0.000 1.142 622 D CA -1.024 52.964 54.000 -0.021 0.000 0.866 622 D CB 1.713 42.501 40.800 -0.021 0.000 1.190 622 D HN 0.003 nan 8.370 nan 0.000 0.469 623 P HA -0.106 nan 4.420 nan 0.000 0.218 623 P C 1.099 178.405 177.300 0.010 0.000 1.148 623 P CA 1.191 64.293 63.100 0.003 0.000 0.822 623 P CB 0.176 31.876 31.700 -0.000 0.000 0.784 624 R N -0.853 119.653 120.500 0.009 0.000 2.152 624 R HA -0.005 4.333 4.340 -0.004 0.000 0.232 624 R C 1.920 178.242 176.300 0.036 0.000 1.117 624 R CA 0.920 57.028 56.100 0.014 0.000 0.981 624 R CB -0.626 29.680 30.300 0.009 0.000 0.870 624 R HN 0.282 nan 8.270 nan 0.000 0.451 625 L N 0.016 121.272 121.223 0.055 0.000 2.554 625 L HA 0.239 4.576 4.340 -0.004 0.000 0.225 625 L C 0.998 177.933 176.870 0.109 0.000 1.104 625 L CA -0.522 54.390 54.840 0.119 0.000 0.866 625 L CB -0.138 42.011 42.059 0.149 0.000 1.047 625 L HN 0.059 nan 8.230 nan 0.000 0.468 626 A N 0.491 123.346 122.820 0.057 0.000 2.492 626 A HA 0.078 4.395 4.320 -0.004 0.000 0.236 626 A C 1.087 178.685 177.584 0.023 0.000 1.078 626 A CA 0.361 52.421 52.037 0.039 0.000 0.773 626 A CB 0.072 19.084 19.000 0.021 0.000 1.023 626 A HN 0.445 nan 8.150 nan 0.000 0.504 627 K N -2.098 118.307 120.400 0.008 0.000 3.446 627 K HA -0.166 4.151 4.320 -0.004 0.000 0.312 627 K C -0.297 176.277 176.600 -0.043 0.000 1.329 627 K CA 1.582 57.860 56.287 -0.015 0.000 0.935 627 K CB -1.305 31.185 32.500 -0.016 0.000 1.281 627 K HN 0.760 nan 8.250 nan 0.000 0.457 628 M N 1.035 120.607 119.600 -0.046 0.000 2.393 628 M HA 0.227 4.705 4.480 -0.004 0.000 0.299 628 M C -1.119 175.035 176.300 -0.242 0.000 1.103 628 M CA -0.673 54.526 55.300 -0.168 0.000 0.910 628 M CB 1.899 34.407 32.600 -0.153 0.000 1.659 628 M HN -0.104 nan 8.290 nan 0.000 0.445 629 Q N 3.443 123.023 119.800 -0.367 0.000 2.257 629 Q HA 0.428 4.765 4.340 -0.004 0.000 0.255 629 Q C -1.661 174.015 176.000 -0.540 0.000 0.920 629 Q CA 0.075 55.708 55.803 -0.284 0.000 0.927 629 Q CB 1.553 30.193 28.738 -0.163 0.000 1.229 629 Q HN 0.581 nan 8.270 nan 0.000 0.433 630 F N 1.456 121.395 119.950 -0.018 0.000 2.430 630 F HA 0.342 4.866 4.527 -0.004 0.000 0.362 630 F C 1.382 177.171 175.800 -0.018 0.000 1.103 630 F CA -0.633 57.355 58.000 -0.020 0.000 1.045 630 F CB 1.185 40.171 39.000 -0.024 0.000 1.276 630 F HN 0.493 nan 8.300 nan 0.000 0.444 631 R N 0.920 121.475 120.500 0.092 0.000 2.066 631 R HA 0.019 4.356 4.340 -0.004 0.000 0.232 631 R C -0.031 176.309 176.300 0.066 0.000 1.131 631 R CA 1.144 57.277 56.100 0.055 0.000 0.955 631 R CB 0.147 30.456 30.300 0.014 0.000 0.851 631 R HN 0.500 nan 8.270 nan 0.000 0.432 632 S N 0.373 116.124 115.700 0.084 0.000 2.449 632 S HA 0.490 4.958 4.470 -0.004 0.000 0.310 632 S C -0.608 174.031 174.600 0.065 0.000 1.096 632 S CA -0.672 57.563 58.200 0.059 0.000 1.095 632 S CB 1.718 64.945 63.200 0.044 0.000 1.007 632 S HN 0.193 nan 8.310 nan 0.000 0.474 633 I N 3.080 123.667 120.570 0.028 0.000 2.647 633 I HA 0.537 4.704 4.170 -0.004 0.000 0.295 633 I C -1.058 175.049 176.117 -0.016 0.000 1.078 633 I CA -0.766 60.527 61.300 -0.012 0.000 1.048 633 I CB 2.030 40.010 38.000 -0.032 0.000 1.239 633 I HN 0.419 nan 8.210 nan 0.000 0.421 634 L N 6.818 128.023 121.223 -0.030 0.000 2.409 634 L HA 0.632 4.969 4.340 -0.004 0.000 0.272 634 L C -1.435 175.417 176.870 -0.030 0.000 0.980 634 L CA -0.358 54.473 54.840 -0.015 0.000 0.826 634 L CB 1.713 43.772 42.059 0.000 0.000 1.268 634 L HN 0.493 nan 8.230 nan 0.000 0.407 635 I N 4.368 124.929 120.570 -0.014 0.000 2.382 635 I HA 0.306 4.473 4.170 -0.004 0.000 0.285 635 I C -0.455 175.662 176.117 0.001 0.000 1.007 635 I CA -0.508 60.781 61.300 -0.020 0.000 1.142 635 I CB 1.442 39.429 38.000 -0.020 0.000 1.289 635 I HN 0.585 nan 8.210 nan 0.000 0.453 636 D N 5.723 126.114 120.400 -0.015 0.000 2.313 636 D HA 0.080 4.717 4.640 -0.004 0.000 0.247 636 D C 0.333 176.616 176.300 -0.028 0.000 1.094 636 D CA 0.159 54.150 54.000 -0.015 0.000 0.925 636 D CB 1.101 41.889 40.800 -0.021 0.000 1.188 636 D HN 0.611 nan 8.370 nan 0.000 0.430 637 E N 0.307 120.480 120.200 -0.044 0.000 2.440 637 E HA -0.249 4.098 4.350 -0.004 0.000 0.246 637 E C 1.084 177.648 176.600 -0.060 0.000 1.165 637 E CA 0.647 57.007 56.400 -0.067 0.000 0.726 637 E CB -1.107 28.561 29.700 -0.052 0.000 1.271 637 E HN 0.483 nan 8.360 nan 0.000 0.397 638 S N -1.821 113.854 115.700 -0.041 0.000 2.423 638 S HA -0.199 4.268 4.470 -0.004 0.000 0.231 638 S C 1.886 176.477 174.600 -0.014 0.000 1.014 638 S CA 1.357 59.556 58.200 -0.002 0.000 0.965 638 S CB -0.440 62.810 63.200 0.083 0.000 0.785 638 S HN 0.436 nan 8.310 nan 0.000 0.495 639 T N -0.253 114.233 114.554 -0.114 0.000 3.098 639 T HA 0.007 4.355 4.350 -0.004 0.000 0.266 639 T C 1.443 176.116 174.700 -0.044 0.000 1.145 639 T CA 0.776 62.813 62.100 -0.105 0.000 1.092 639 T CB -0.459 68.253 68.868 -0.259 0.000 0.908 639 T HN 0.595 nan 8.240 nan 0.000 0.526 640 Q N 0.281 120.056 119.800 -0.043 0.000 2.282 640 Q HA 0.495 4.833 4.340 -0.004 0.000 0.206 640 Q C 0.654 176.647 176.000 -0.013 0.000 0.878 640 Q CA -0.168 55.620 55.803 -0.024 0.000 0.944 640 Q CB 0.612 29.331 28.738 -0.033 0.000 1.100 640 Q HN 0.666 nan 8.270 nan 0.000 0.509 641 A N 1.336 124.149 122.820 -0.011 0.000 2.320 641 A HA 0.518 4.835 4.320 -0.004 0.000 0.334 641 A C 0.318 177.907 177.584 0.007 0.000 1.147 641 A CA -0.558 51.472 52.037 -0.012 0.000 0.820 641 A CB 0.714 19.695 19.000 -0.031 0.000 1.218 641 A HN 0.175 nan 8.150 nan 0.000 0.482 642 T N -0.853 113.706 114.554 0.009 0.000 2.860 642 T HA 0.235 4.582 4.350 -0.004 0.000 0.299 642 T C 0.798 175.480 174.700 -0.030 0.000 1.045 642 T CA 0.196 62.313 62.100 0.029 0.000 1.071 642 T CB 0.710 69.612 68.868 0.058 0.000 0.985 642 T HN 0.675 nan 8.240 nan 0.000 0.537 643 E N 1.425 121.583 120.200 -0.070 0.000 2.049 643 E HA -0.114 4.233 4.350 -0.004 0.000 0.198 643 E C -0.682 175.744 176.600 -0.290 0.000 1.007 643 E CA 1.472 57.729 56.400 -0.238 0.000 0.809 643 E CB -1.207 28.190 29.700 -0.504 0.000 0.749 643 E HN 0.602 nan 8.360 nan 0.000 0.450 644 P HA -0.192 nan 4.420 nan 0.000 0.216 644 P C 1.092 178.320 177.300 -0.120 0.000 1.150 644 P CA 1.299 64.281 63.100 -0.197 0.000 0.837 644 P CB -0.015 31.637 31.700 -0.080 0.000 0.786 645 E N -1.013 119.129 120.200 -0.096 0.000 2.017 645 E HA -0.228 4.119 4.350 -0.004 0.000 0.193 645 E C 1.862 178.400 176.600 -0.104 0.000 0.997 645 E CA 1.339 57.684 56.400 -0.092 0.000 0.804 645 E CB -0.708 28.947 29.700 -0.075 0.000 0.757 645 E HN 0.080 nan 8.360 nan 0.000 0.448 646 C N 0.709 119.947 119.300 -0.102 0.000 2.403 646 C HA -0.116 4.341 4.460 -0.004 0.000 0.279 646 C C 2.478 177.383 174.990 -0.141 0.000 1.269 646 C CA 0.729 59.685 59.018 -0.103 0.000 1.774 646 C CB -0.799 26.891 27.740 -0.083 0.000 1.993 646 C HN 0.550 nan 8.230 nan 0.000 0.496 647 M N -0.437 119.056 119.600 -0.179 0.000 2.558 647 M HA 0.002 4.480 4.480 -0.004 0.000 0.255 647 M C 1.978 178.169 176.300 -0.181 0.000 1.113 647 M CA 0.739 55.897 55.300 -0.238 0.000 1.097 647 M CB -0.978 31.436 32.600 -0.310 0.000 1.426 647 M HN 0.244 nan 8.290 nan 0.000 0.488 648 V N 2.180 122.016 119.914 -0.130 0.000 2.255 648 V HA -0.209 3.908 4.120 -0.004 0.000 0.247 648 V C -0.272 175.763 176.094 -0.098 0.000 1.051 648 V CA 2.264 64.505 62.300 -0.098 0.000 1.018 648 V CB -2.055 29.715 31.823 -0.089 0.000 0.641 648 V HN 0.256 nan 8.190 nan 0.000 0.445 649 P HA -0.053 nan 4.420 nan 0.000 0.217 649 P C 1.911 179.151 177.300 -0.100 0.000 1.151 649 P CA 1.247 64.272 63.100 -0.125 0.000 0.828 649 P CB -0.099 31.508 31.700 -0.154 0.000 0.788 650 V N 1.402 121.242 119.914 -0.123 0.000 2.324 650 V HA -0.192 3.925 4.120 -0.004 0.000 0.250 650 V C 2.623 178.663 176.094 -0.091 0.000 1.060 650 V CA 2.282 64.508 62.300 -0.123 0.000 1.042 650 V CB -1.583 30.115 31.823 -0.208 0.000 0.650 650 V HN 0.052 nan 8.190 nan 0.000 0.450 651 V N -2.053 117.799 119.914 -0.103 0.000 3.590 651 V HA 0.107 4.225 4.120 -0.004 0.000 0.272 651 V C 1.281 177.390 176.094 0.025 0.000 1.233 651 V CA 1.054 63.334 62.300 -0.034 0.000 1.182 651 V CB -1.021 30.789 31.823 -0.021 0.000 0.901 651 V HN 0.502 nan 8.190 nan 0.000 0.485 652 L N 1.613 122.863 121.223 0.046 0.000 2.783 652 L HA 0.594 4.931 4.340 -0.004 0.000 0.236 652 L C 1.521 178.476 176.870 0.142 0.000 1.225 652 L CA 0.508 55.420 54.840 0.121 0.000 1.026 652 L CB -0.219 41.966 42.059 0.210 0.000 1.314 652 L HN 0.606 nan 8.230 nan 0.000 0.489 653 G N -0.455 108.396 108.800 0.086 0.000 2.159 653 G HA2 -0.177 3.780 3.960 -0.004 0.000 0.170 653 G HA3 -0.177 3.780 3.960 -0.004 0.000 0.170 653 G C 0.411 175.352 174.900 0.068 0.000 1.007 653 G CA -0.271 44.870 45.100 0.068 0.000 0.672 653 G HN 0.429 nan 8.290 nan 0.000 0.507 654 A N 0.106 122.964 122.820 0.064 0.000 2.573 654 A HA 0.489 4.807 4.320 -0.004 0.000 0.250 654 A C 1.177 178.794 177.584 0.054 0.000 1.049 654 A CA 1.534 53.602 52.037 0.051 0.000 0.767 654 A CB 0.095 19.107 19.000 0.019 0.000 0.965 654 A HN 0.514 nan 8.150 nan 0.000 0.514 655 K N 0.555 120.982 120.400 0.045 0.000 2.425 655 K HA 0.132 4.449 4.320 -0.004 0.000 0.201 655 K C 0.397 177.003 176.600 0.011 0.000 1.128 655 K CA 0.313 56.621 56.287 0.036 0.000 1.000 655 K CB 0.683 33.197 32.500 0.022 0.000 0.961 655 K HN 0.810 nan 8.250 nan 0.000 0.555 656 Q N 1.585 121.392 119.800 0.012 0.000 2.269 656 Q HA 0.334 4.671 4.340 -0.004 0.000 0.263 656 Q C -2.103 173.901 176.000 0.007 0.000 0.983 656 Q CA -0.615 55.185 55.803 -0.005 0.000 0.777 656 Q CB 1.444 30.175 28.738 -0.011 0.000 1.273 656 Q HN -0.032 nan 8.270 nan 0.000 0.440 657 L N 5.333 126.560 121.223 0.006 0.000 2.362 657 L HA 0.664 5.002 4.340 -0.004 0.000 0.275 657 L C -1.734 175.138 176.870 0.003 0.000 0.998 657 L CA -0.396 54.445 54.840 0.002 0.000 0.820 657 L CB 1.770 43.827 42.059 -0.004 0.000 1.270 657 L HN 0.691 nan 8.230 nan 0.000 0.415 658 I N 6.029 126.604 120.570 0.007 0.000 2.410 658 I HA 0.387 4.555 4.170 -0.004 0.000 0.286 658 I C -0.938 175.203 176.117 0.039 0.000 1.009 658 I CA -0.331 60.981 61.300 0.020 0.000 1.111 658 I CB 1.603 39.617 38.000 0.024 0.000 1.262 658 I HN 0.416 nan 8.210 nan 0.000 0.443 659 L N 7.087 128.351 121.223 0.068 0.000 2.287 659 L HA 0.612 4.950 4.340 -0.004 0.000 0.287 659 L C -0.590 176.439 176.870 0.266 0.000 1.022 659 L CA -0.883 54.048 54.840 0.151 0.000 0.814 659 L CB 1.466 43.630 42.059 0.175 0.000 1.217 659 L HN 0.255 nan 8.230 nan 0.000 0.420 660 V N 2.136 122.168 119.914 0.196 0.000 2.513 660 V HA 0.971 5.088 4.120 -0.004 0.000 0.299 660 V C 0.451 176.562 176.094 0.028 0.000 1.035 660 V CA -0.301 62.093 62.300 0.157 0.000 0.889 660 V CB 1.417 33.281 31.823 0.068 0.000 0.988 660 V HN 0.983 nan 8.190 nan 0.000 0.440 661 G N 2.455 111.176 108.800 -0.131 0.000 2.340 661 G HA2 0.504 4.461 3.960 -0.004 0.000 0.299 661 G HA3 0.504 4.461 3.960 -0.004 0.000 0.299 661 G C -2.322 172.300 174.900 -0.463 0.000 1.291 661 G CA -0.368 44.472 45.100 -0.432 0.000 0.841 661 G HN 0.576 nan 8.290 nan 0.000 0.500 662 D N -0.897 119.247 120.400 -0.427 0.000 2.478 662 D HA 0.234 4.872 4.640 -0.004 0.000 0.240 662 D C 0.945 177.146 176.300 -0.165 0.000 1.364 662 D CA -0.516 53.359 54.000 -0.209 0.000 0.987 662 D CB 0.463 41.215 40.800 -0.079 0.000 1.328 662 D HN 0.534 nan 8.370 nan 0.000 0.584 663 H N 1.272 120.231 119.070 -0.186 0.000 2.563 663 H HA 0.050 4.604 4.556 -0.004 0.000 0.272 663 H C 0.586 175.907 175.328 -0.010 0.000 1.005 663 H CA 0.087 56.114 56.048 -0.036 0.000 1.171 663 H CB -0.582 29.269 29.762 0.148 0.000 1.351 663 H HN 0.223 nan 8.280 nan 0.000 0.602 664 C N 0.536 119.648 119.300 -0.312 0.000 2.906 664 C HA 0.262 4.720 4.460 -0.004 0.000 0.274 664 C C 1.002 175.834 174.990 -0.264 0.000 1.257 664 C CA -0.274 58.552 59.018 -0.320 0.000 1.695 664 C CB -0.347 27.113 27.740 -0.466 0.000 1.958 664 C HN 0.530 nan 8.230 nan 0.000 0.619 665 Q N -0.073 119.636 119.800 -0.153 0.000 2.427 665 Q HA 0.545 4.882 4.340 -0.004 0.000 0.232 665 Q C -0.391 175.559 176.000 -0.084 0.000 1.018 665 Q CA -0.680 55.050 55.803 -0.122 0.000 0.965 665 Q CB 0.747 29.438 28.738 -0.080 0.000 1.232 665 Q HN 0.314 nan 8.270 nan 0.000 0.510 666 L N 0.768 121.958 121.223 -0.055 0.000 2.506 666 L HA 0.150 4.488 4.340 -0.004 0.000 0.281 666 L C 0.728 177.585 176.870 -0.022 0.000 1.228 666 L CA -0.054 54.770 54.840 -0.027 0.000 0.850 666 L CB -0.228 41.826 42.059 -0.007 0.000 1.110 666 L HN 0.712 nan 8.230 nan 0.000 0.496 667 G N 1.951 110.749 108.800 -0.003 0.000 2.671 667 G HA2 0.583 4.540 3.960 -0.004 0.000 0.275 667 G HA3 0.583 4.540 3.960 -0.004 0.000 0.275 667 G C -2.593 172.314 174.900 0.011 0.000 1.368 667 G CA -0.920 44.185 45.100 0.008 0.000 1.044 667 G HN 0.449 nan 8.290 nan 0.000 0.543 668 P HA 0.264 nan 4.420 nan 0.000 0.274 668 P C -0.442 176.873 177.300 0.026 0.000 1.231 668 P CA -0.260 62.853 63.100 0.021 0.000 0.790 668 P CB 1.427 33.144 31.700 0.029 0.000 0.951 669 V N 2.686 122.616 119.914 0.027 0.000 2.498 669 V HA 0.182 4.300 4.120 -0.004 0.000 0.279 669 V C 0.452 176.572 176.094 0.042 0.000 1.048 669 V CA -0.249 62.070 62.300 0.032 0.000 0.967 669 V CB 1.343 33.186 31.823 0.034 0.000 0.988 669 V HN 0.260 nan 8.190 nan 0.000 0.473 670 V N 6.360 126.292 119.914 0.029 0.000 2.380 670 V HA 0.248 4.365 4.120 -0.004 0.000 0.286 670 V C 0.742 176.823 176.094 -0.022 0.000 1.015 670 V CA -0.399 61.914 62.300 0.022 0.000 0.834 670 V CB 1.640 33.468 31.823 0.008 0.000 1.009 670 V HN 0.813 nan 8.190 nan 0.000 0.428 671 M N 1.604 121.200 119.600 -0.005 0.000 2.374 671 M HA 0.003 4.481 4.480 -0.004 0.000 0.264 671 M C 0.974 177.000 176.300 -0.458 0.000 1.067 671 M CA 0.899 56.166 55.300 -0.055 0.000 1.103 671 M CB -0.355 32.356 32.600 0.186 0.000 1.402 671 M HN 0.636 nan 8.290 nan 0.000 0.444 672 C N 2.052 121.042 119.300 -0.516 0.000 2.239 672 C HA 0.247 4.704 4.460 -0.004 0.000 0.325 672 C C 1.679 176.451 174.990 -0.363 0.000 1.231 672 C CA -0.739 57.820 59.018 -0.764 0.000 1.652 672 C CB -0.051 27.360 27.740 -0.549 0.000 2.284 672 C HN 0.517 nan 8.230 nan 0.000 0.499 673 K N 2.833 123.048 120.400 -0.308 0.000 2.020 673 K HA -0.199 4.119 4.320 -0.004 0.000 0.212 673 K C 1.974 178.498 176.600 -0.127 0.000 1.050 673 K CA 1.932 58.123 56.287 -0.159 0.000 0.929 673 K CB -0.002 32.435 32.500 -0.106 0.000 0.714 673 K HN 0.690 nan 8.250 nan 0.000 0.443 674 K N 0.251 120.577 120.400 -0.124 0.000 2.044 674 K HA -0.205 4.113 4.320 -0.004 0.000 0.210 674 K C 2.107 178.643 176.600 -0.107 0.000 1.049 674 K CA 1.688 57.919 56.287 -0.094 0.000 0.927 674 K CB -0.197 32.260 32.500 -0.071 0.000 0.713 674 K HN 0.216 nan 8.250 nan 0.000 0.443 675 A N 0.669 123.420 122.820 -0.114 0.000 1.930 675 A HA -0.056 4.261 4.320 -0.004 0.000 0.217 675 A C 2.270 179.792 177.584 -0.104 0.000 1.175 675 A CA 1.725 53.703 52.037 -0.097 0.000 0.627 675 A CB -0.651 18.311 19.000 -0.063 0.000 0.815 675 A HN 0.360 nan 8.150 nan 0.000 0.443 676 A N -0.110 122.650 122.820 -0.100 0.000 1.873 676 A HA -0.110 4.207 4.320 -0.004 0.000 0.215 676 A C 2.110 179.637 177.584 -0.096 0.000 1.186 676 A CA 1.612 53.603 52.037 -0.077 0.000 0.616 676 A CB -0.415 18.547 19.000 -0.064 0.000 0.823 676 A HN 0.465 nan 8.150 nan 0.000 0.442 677 K N -0.273 120.066 120.400 -0.102 0.000 2.103 677 K HA -0.112 4.206 4.320 -0.004 0.000 0.207 677 K C 2.078 178.525 176.600 -0.256 0.000 1.048 677 K CA 1.171 57.397 56.287 -0.102 0.000 0.930 677 K CB -0.326 32.136 32.500 -0.063 0.000 0.716 677 K HN 0.445 nan 8.250 nan 0.000 0.444 678 A N 0.236 122.863 122.820 -0.322 0.000 2.172 678 A HA 0.042 4.359 4.320 -0.004 0.000 0.216 678 A C 1.407 178.515 177.584 -0.793 0.000 1.154 678 A CA 1.386 53.082 52.037 -0.569 0.000 0.701 678 A CB -0.231 18.588 19.000 -0.301 0.000 0.789 678 A HN 0.478 nan 8.150 nan 0.000 0.465 679 G N -2.232 106.305 108.800 -0.438 0.000 2.159 679 G HA2 -0.156 3.801 3.960 -0.004 0.000 0.170 679 G HA3 -0.156 3.801 3.960 -0.004 0.000 0.170 679 G C 0.605 175.474 174.900 -0.050 0.000 1.007 679 G CA 0.316 45.283 45.100 -0.221 0.000 0.672 679 G HN 0.680 nan 8.290 nan 0.000 0.507 680 L N 2.079 123.275 121.223 -0.044 0.000 2.275 680 L HA 0.150 4.487 4.340 -0.004 0.000 0.215 680 L C 2.684 179.611 176.870 0.094 0.000 1.119 680 L CA 2.864 57.749 54.840 0.075 0.000 0.790 680 L CB -0.393 41.702 42.059 0.059 0.000 0.919 680 L HN 0.553 nan 8.230 nan 0.000 0.443 681 S N -1.845 113.886 115.700 0.051 0.000 2.474 681 S HA -0.154 4.314 4.470 -0.004 0.000 0.235 681 S C 1.143 175.792 174.600 0.083 0.000 0.997 681 S CA 0.084 58.318 58.200 0.057 0.000 0.949 681 S CB -0.592 62.629 63.200 0.035 0.000 0.766 681 S HN 0.623 nan 8.310 nan 0.000 0.517 682 Q N 2.637 122.503 119.800 0.109 0.000 2.313 682 Q HA 0.259 4.596 4.340 -0.004 0.000 0.266 682 Q C -0.025 176.064 176.000 0.149 0.000 0.989 682 Q CA -0.392 55.492 55.803 0.135 0.000 0.890 682 Q CB 0.608 29.441 28.738 0.159 0.000 1.200 682 Q HN 0.570 nan 8.270 nan 0.000 0.396 683 S N 3.155 118.938 115.700 0.137 0.000 2.669 683 S HA 0.156 4.623 4.470 -0.004 0.000 0.270 683 S C 1.119 175.808 174.600 0.149 0.000 1.225 683 S CA -0.896 57.381 58.200 0.128 0.000 0.991 683 S CB 0.771 64.043 63.200 0.121 0.000 0.987 683 S HN 0.856 nan 8.310 nan 0.000 0.552 684 L N -0.026 121.263 121.223 0.109 0.000 1.989 684 L HA -0.075 4.263 4.340 -0.004 0.000 0.211 684 L C 2.330 179.270 176.870 0.117 0.000 1.071 684 L CA 1.866 56.758 54.840 0.086 0.000 0.749 684 L CB -0.489 41.578 42.059 0.014 0.000 0.890 684 L HN 0.827 nan 8.230 nan 0.000 0.431 685 F N 1.121 121.072 119.950 0.001 0.000 2.087 685 F HA -0.323 4.202 4.527 -0.004 0.000 0.299 685 F C 2.437 178.219 175.800 -0.030 0.000 1.100 685 F CA 2.212 60.206 58.000 -0.011 0.000 1.226 685 F CB -0.195 38.809 39.000 0.007 0.000 0.983 685 F HN 0.169 nan 8.300 nan 0.000 0.479 686 E N -0.486 119.906 120.200 0.320 0.000 2.051 686 E HA -0.255 4.092 4.350 -0.004 0.000 0.192 686 E C 2.381 179.038 176.600 0.094 0.000 0.991 686 E CA 1.162 57.683 56.400 0.200 0.000 0.799 686 E CB -0.266 29.550 29.700 0.194 0.000 0.748 686 E HN 0.357 nan 8.360 nan 0.000 0.449 687 R N 0.838 121.405 120.500 0.112 0.000 2.081 687 R HA -0.135 4.202 4.340 -0.004 0.000 0.235 687 R C 2.362 178.690 176.300 0.045 0.000 1.131 687 R CA 1.027 57.192 56.100 0.109 0.000 0.960 687 R CB -0.180 30.227 30.300 0.179 0.000 0.856 687 R HN 0.133 nan 8.270 nan 0.000 0.436 688 L N 0.017 121.236 121.223 -0.008 0.000 2.046 688 L HA -0.173 4.165 4.340 -0.004 0.000 0.208 688 L C 2.431 179.227 176.870 -0.124 0.000 1.077 688 L CA 0.963 55.756 54.840 -0.079 0.000 0.747 688 L CB -0.405 41.562 42.059 -0.154 0.000 0.896 688 L HN 0.091 nan 8.230 nan 0.000 0.432 689 V N -0.627 119.179 119.914 -0.180 0.000 2.295 689 V HA -0.239 3.879 4.120 -0.004 0.000 0.246 689 V C 2.428 178.474 176.094 -0.081 0.000 1.049 689 V CA 1.543 63.724 62.300 -0.198 0.000 1.024 689 V CB -0.185 31.429 31.823 -0.349 0.000 0.648 689 V HN 0.203 nan 8.190 nan 0.000 0.447 690 V N -0.530 119.367 119.914 -0.028 0.000 2.407 690 V HA -0.217 3.900 4.120 -0.004 0.000 0.248 690 V C 2.378 178.475 176.094 0.006 0.000 1.055 690 V CA 1.314 63.620 62.300 0.009 0.000 1.049 690 V CB -0.629 31.216 31.823 0.037 0.000 0.662 690 V HN 0.387 nan 8.190 nan 0.000 0.455 691 L N 0.510 121.735 121.223 0.003 0.000 2.261 691 L HA -0.016 4.321 4.340 -0.004 0.000 0.216 691 L C 1.896 178.764 176.870 -0.002 0.000 1.114 691 L CA 2.100 56.944 54.840 0.007 0.000 0.777 691 L CB -1.269 40.796 42.059 0.011 0.000 0.910 691 L HN 0.611 nan 8.230 nan 0.000 0.440 692 G N -1.726 107.064 108.800 -0.017 0.000 2.192 692 G HA2 -0.209 3.749 3.960 -0.004 0.000 0.193 692 G HA3 -0.209 3.749 3.960 -0.004 0.000 0.193 692 G C 0.309 175.195 174.900 -0.023 0.000 0.999 692 G CA -0.076 45.017 45.100 -0.012 0.000 0.659 692 G HN 0.253 nan 8.290 nan 0.000 0.503 693 I N 1.494 122.034 120.570 -0.049 0.000 2.452 693 I HA 0.397 4.564 4.170 -0.004 0.000 0.287 693 I C 0.832 176.896 176.117 -0.088 0.000 1.079 693 I CA -0.488 60.773 61.300 -0.064 0.000 1.387 693 I CB 0.912 38.859 38.000 -0.089 0.000 1.404 693 I HN 0.112 nan 8.210 nan 0.000 0.522 694 R N 9.124 129.597 120.500 -0.044 0.000 2.198 694 R HA 0.451 4.788 4.340 -0.004 0.000 0.339 694 R C -2.551 173.739 176.300 -0.017 0.000 1.020 694 R CA -1.706 54.384 56.100 -0.016 0.000 0.864 694 R CB 0.444 30.756 30.300 0.020 0.000 1.105 694 R HN 0.246 nan 8.270 nan 0.000 0.463 695 P HA 0.128 nan 4.420 nan 0.000 0.272 695 P C -0.614 176.745 177.300 0.099 0.000 1.223 695 P CA -0.311 62.799 63.100 0.017 0.000 0.784 695 P CB 0.525 32.286 31.700 0.102 0.000 0.923 696 I N 1.746 122.381 120.570 0.109 0.000 2.471 696 I HA 0.188 4.355 4.170 -0.004 0.000 0.286 696 I C 1.225 177.431 176.117 0.149 0.000 1.079 696 I CA 0.153 61.544 61.300 0.152 0.000 1.398 696 I CB 0.033 38.121 38.000 0.148 0.000 1.403 696 I HN 0.229 nan 8.210 nan 0.000 0.530 697 R N 6.780 127.357 120.500 0.129 0.000 2.294 697 R HA 0.519 4.856 4.340 -0.004 0.000 0.319 697 R C -1.089 175.229 176.300 0.031 0.000 0.984 697 R CA -0.606 55.548 56.100 0.089 0.000 0.861 697 R CB 0.657 31.007 30.300 0.084 0.000 1.104 697 R HN 0.602 nan 8.270 nan 0.000 0.451 698 L N 4.946 126.170 121.223 0.002 0.000 2.418 698 L HA 0.084 4.421 4.340 -0.004 0.000 0.274 698 L C 0.891 177.706 176.870 -0.093 0.000 1.135 698 L CA 0.005 54.819 54.840 -0.043 0.000 0.870 698 L CB 1.124 43.165 42.059 -0.030 0.000 1.154 698 L HN 0.773 nan 8.230 nan 0.000 0.462 699 Q N 2.079 121.808 119.800 -0.118 0.000 2.396 699 Q HA 0.129 4.466 4.340 -0.004 0.000 0.220 699 Q C -0.141 175.779 176.000 -0.133 0.000 0.900 699 Q CA 0.299 56.033 55.803 -0.116 0.000 0.925 699 Q CB 0.855 29.541 28.738 -0.087 0.000 1.065 699 Q HN 0.546 nan 8.270 nan 0.000 0.535 700 V N 2.732 122.555 119.914 -0.152 0.000 2.364 700 V HA 0.262 4.379 4.120 -0.004 0.000 0.272 700 V C -0.466 175.448 176.094 -0.299 0.000 1.036 700 V CA -0.720 61.439 62.300 -0.234 0.000 0.880 700 V CB 0.923 32.595 31.823 -0.251 0.000 0.991 700 V HN 0.237 nan 8.190 nan 0.000 0.460 701 Q N 3.933 123.531 119.800 -0.335 0.000 2.245 701 Q HA 0.484 4.822 4.340 -0.004 0.000 0.256 701 Q C -0.975 174.809 176.000 -0.361 0.000 0.942 701 Q CA -0.215 55.445 55.803 -0.239 0.000 0.896 701 Q CB 1.248 29.885 28.738 -0.169 0.000 1.272 701 Q HN 0.620 nan 8.270 nan 0.000 0.442 702 Y N 0.717 120.962 120.300 -0.091 0.000 2.641 702 Y HA 0.355 4.902 4.550 -0.005 0.000 0.248 702 Y C 1.431 177.263 175.900 -0.113 0.000 1.170 702 Y CA -0.467 57.579 58.100 -0.090 0.000 1.201 702 Y CB 0.846 39.262 38.460 -0.074 0.000 1.232 702 Y HN 0.766 nan 8.280 nan 0.000 0.537 703 R N -0.074 120.416 120.500 -0.017 0.000 2.164 703 R HA 0.280 4.618 4.340 -0.004 0.000 0.198 703 R C 0.066 176.269 176.300 -0.162 0.000 1.028 703 R CA 0.393 56.443 56.100 -0.084 0.000 1.083 703 R CB 0.361 30.619 30.300 -0.072 0.000 1.026 703 R HN 0.122 nan 8.270 nan 0.000 0.514 704 M N 1.657 121.178 119.600 -0.131 0.000 2.318 704 M HA 0.196 4.673 4.480 -0.004 0.000 0.347 704 M C -0.291 175.950 176.300 -0.099 0.000 1.175 704 M CA -0.829 54.396 55.300 -0.124 0.000 1.075 704 M CB 1.519 34.078 32.600 -0.068 0.000 1.614 704 M HN 0.096 nan 8.290 nan 0.000 0.456 705 H N 3.913 122.863 119.070 -0.200 0.000 3.064 705 H HA -0.004 4.549 4.556 -0.004 0.000 0.329 705 H C -1.996 173.273 175.328 -0.099 0.000 1.020 705 H CA -0.390 55.574 56.048 -0.140 0.000 1.402 705 H CB 0.767 30.448 29.762 -0.135 0.000 1.379 705 H HN 0.394 nan 8.280 nan 0.000 0.594 706 P HA -0.194 nan 4.420 nan 0.000 0.216 706 P C 1.209 178.587 177.300 0.130 0.000 1.154 706 P CA 2.543 65.624 63.100 -0.030 0.000 0.865 706 P CB -0.115 31.504 31.700 -0.134 0.000 0.789 707 A N -0.905 122.108 122.820 0.321 0.000 1.986 707 A HA -0.193 4.125 4.320 -0.004 0.000 0.220 707 A C 2.133 179.788 177.584 0.120 0.000 1.171 707 A CA 1.589 53.734 52.037 0.180 0.000 0.640 707 A CB -1.577 17.457 19.000 0.057 0.000 0.811 707 A HN 0.168 nan 8.150 nan 0.000 0.451 708 L N -0.107 121.175 121.223 0.099 0.000 2.209 708 L HA -0.075 4.262 4.340 -0.004 0.000 0.207 708 L C 2.820 179.746 176.870 0.092 0.000 1.094 708 L CA 1.258 56.137 54.840 0.064 0.000 0.790 708 L CB -0.500 41.561 42.059 0.003 0.000 0.932 708 L HN 0.552 nan 8.230 nan 0.000 0.447 709 S N 0.378 116.118 115.700 0.067 0.000 2.428 709 S HA -0.035 4.433 4.470 -0.004 0.000 0.230 709 S C 2.206 176.846 174.600 0.067 0.000 1.014 709 S CA 0.576 58.806 58.200 0.049 0.000 0.957 709 S CB -0.234 62.964 63.200 -0.003 0.000 0.784 709 S HN 0.303 nan 8.310 nan 0.000 0.499 710 A N 1.884 124.757 122.820 0.088 0.000 1.873 710 A HA -0.070 4.247 4.320 -0.004 0.000 0.218 710 A C 1.973 179.547 177.584 -0.016 0.000 1.193 710 A CA 1.844 53.922 52.037 0.068 0.000 0.629 710 A CB -1.246 17.855 19.000 0.168 0.000 0.826 710 A HN 0.588 nan 8.150 nan 0.000 0.447 711 F N 1.337 121.188 119.950 -0.165 0.000 2.098 711 F HA 0.009 4.534 4.527 -0.004 0.000 0.294 711 F C -0.669 175.051 175.800 -0.132 0.000 1.107 711 F CA 1.465 59.276 58.000 -0.315 0.000 1.234 711 F CB -0.947 37.894 39.000 -0.267 0.000 1.002 711 F HN 0.159 nan 8.300 nan 0.000 0.472 712 P HA -0.181 nan 4.420 nan 0.000 0.216 712 P C 2.059 179.393 177.300 0.056 0.000 1.153 712 P CA 2.032 65.177 63.100 0.075 0.000 0.848 712 P CB -0.274 31.573 31.700 0.246 0.000 0.787 713 S N -0.449 115.298 115.700 0.078 0.000 2.359 713 S HA -0.204 4.264 4.470 -0.004 0.000 0.223 713 S C 1.971 176.541 174.600 -0.050 0.000 1.039 713 S CA 1.663 59.928 58.200 0.108 0.000 1.042 713 S CB -1.038 62.184 63.200 0.038 0.000 0.915 713 S HN 0.053 nan 8.310 nan 0.000 0.439 714 N N 0.980 119.561 118.700 -0.199 0.000 2.188 714 N HA -0.017 4.721 4.740 -0.004 0.000 0.184 714 N C 1.686 176.953 175.510 -0.405 0.000 1.018 714 N CA 1.273 54.167 53.050 -0.261 0.000 0.858 714 N CB -0.325 38.000 38.487 -0.271 0.000 0.989 714 N HN 0.408 nan 8.380 nan 0.000 0.426 715 I N -0.712 119.438 120.570 -0.699 0.000 2.585 715 I HA -0.023 4.145 4.170 -0.004 0.000 0.254 715 I C 1.357 176.908 176.117 -0.944 0.000 1.129 715 I CA 0.862 61.586 61.300 -0.960 0.000 1.455 715 I CB -0.743 36.316 38.000 -1.568 0.000 1.111 715 I HN -0.036 nan 8.210 nan 0.000 0.433 716 F N -1.434 118.209 119.950 -0.512 0.000 2.694 716 F HA 0.095 4.619 4.527 -0.004 0.000 0.292 716 F C 0.914 176.234 175.800 -0.800 0.000 1.121 716 F CA 0.145 57.720 58.000 -0.708 0.000 1.352 716 F CB 0.130 38.538 39.000 -0.987 0.000 1.107 716 F HN -0.106 nan 8.300 nan 0.000 0.597 717 Y N 0.206 120.496 120.300 -0.016 0.000 2.672 717 Y HA 0.236 4.784 4.550 -0.005 0.000 0.272 717 Y C 0.061 175.932 175.900 -0.048 0.000 1.055 717 Y CA -0.962 57.125 58.100 -0.023 0.000 1.151 717 Y CB -0.514 37.935 38.460 -0.018 0.000 1.190 717 Y HN 0.060 nan 8.280 nan 0.000 0.574 718 E N -0.510 119.690 120.200 0.001 0.000 2.660 718 E HA -0.290 4.058 4.350 -0.004 0.000 0.260 718 E C 1.373 177.964 176.600 -0.015 0.000 1.122 718 E CA 0.675 57.065 56.400 -0.017 0.000 0.755 718 E CB -1.528 28.183 29.700 0.018 0.000 1.345 718 E HN 0.883 nan 8.360 nan 0.000 0.421 719 G N 0.444 109.228 108.800 -0.027 0.000 2.283 719 G HA2 -0.406 3.551 3.960 -0.004 0.000 0.280 719 G HA3 -0.406 3.551 3.960 -0.004 0.000 0.280 719 G C 0.721 175.621 174.900 -0.000 0.000 1.029 719 G CA 1.057 46.143 45.100 -0.024 0.000 0.840 719 G HN 0.872 nan 8.290 nan 0.000 0.505 720 S N -1.873 113.843 115.700 0.027 0.000 2.511 720 S HA 0.471 4.938 4.470 -0.004 0.000 0.214 720 S C 0.830 175.425 174.600 -0.009 0.000 0.997 720 S CA -0.206 58.002 58.200 0.014 0.000 0.908 720 S CB 0.449 63.667 63.200 0.029 0.000 0.803 720 S HN 0.293 nan 8.310 nan 0.000 0.504 721 L N 3.187 124.401 121.223 -0.015 0.000 2.462 721 L HA 0.373 4.711 4.340 -0.004 0.000 0.272 721 L C 0.320 177.152 176.870 -0.064 0.000 1.166 721 L CA 0.673 55.472 54.840 -0.067 0.000 0.880 721 L CB 0.198 42.207 42.059 -0.084 0.000 1.142 721 L HN 0.401 nan 8.230 nan 0.000 0.473 722 Q N 2.709 122.461 119.800 -0.081 0.000 2.222 722 Q HA 0.356 4.693 4.340 -0.004 0.000 0.252 722 Q C -0.507 175.401 176.000 -0.152 0.000 0.926 722 Q CA -0.763 54.988 55.803 -0.086 0.000 0.899 722 Q CB 1.206 29.916 28.738 -0.046 0.000 1.250 722 Q HN 0.423 nan 8.270 nan 0.000 0.441 723 N N 0.822 119.433 118.700 -0.148 0.000 2.420 723 N HA 0.117 4.855 4.740 -0.004 0.000 0.249 723 N C 0.404 175.759 175.510 -0.258 0.000 1.033 723 N CA -0.018 52.914 53.050 -0.196 0.000 0.944 723 N CB 1.494 39.893 38.487 -0.147 0.000 1.113 723 N HN 0.885 nan 8.380 nan 0.000 0.502 724 G N 0.680 109.207 108.800 -0.456 0.000 2.744 724 G HA2 0.071 4.029 3.960 -0.004 0.000 0.211 724 G HA3 0.071 4.029 3.960 -0.004 0.000 0.211 724 G C 0.329 175.084 174.900 -0.242 0.000 1.143 724 G CA 0.222 44.979 45.100 -0.572 0.000 0.788 724 G HN 0.438 nan 8.290 nan 0.000 0.534 725 V N -0.985 118.816 119.914 -0.188 0.000 2.588 725 V HA 0.710 4.827 4.120 -0.004 0.000 0.304 725 V C 0.063 176.076 176.094 -0.135 0.000 1.042 725 V CA -0.742 61.497 62.300 -0.101 0.000 0.877 725 V CB 0.904 32.678 31.823 -0.081 0.000 0.996 725 V HN 0.136 nan 8.190 nan 0.000 0.425 726 T N 1.709 116.200 114.554 -0.106 0.000 2.788 726 T HA 0.619 4.966 4.350 -0.004 0.000 0.287 726 T C 1.503 176.079 174.700 -0.206 0.000 1.007 726 T CA 0.115 62.136 62.100 -0.131 0.000 1.005 726 T CB 1.431 70.255 68.868 -0.073 0.000 1.012 726 T HN 1.419 nan 8.240 nan 0.000 0.530 727 A N 0.991 123.654 122.820 -0.263 0.000 1.883 727 A HA 0.081 4.399 4.320 -0.004 0.000 0.217 727 A C 2.646 180.170 177.584 -0.100 0.000 1.186 727 A CA 2.015 53.826 52.037 -0.378 0.000 0.624 727 A CB -1.606 17.266 19.000 -0.213 0.000 0.822 727 A HN 1.193 nan 8.150 nan 0.000 0.444 728 A N -0.122 122.683 122.820 -0.026 0.000 1.883 728 A HA -0.223 4.095 4.320 -0.004 0.000 0.217 728 A C 1.753 179.375 177.584 0.063 0.000 1.186 728 A CA 2.023 54.086 52.037 0.042 0.000 0.624 728 A CB -0.771 18.249 19.000 0.033 0.000 0.822 728 A HN 0.438 nan 8.150 nan 0.000 0.444 729 D N -0.920 119.494 120.400 0.024 0.000 2.271 729 D HA -0.086 4.552 4.640 -0.004 0.000 0.207 729 D C 1.164 177.526 176.300 0.104 0.000 0.983 729 D CA 0.812 54.839 54.000 0.046 0.000 0.878 729 D CB -0.020 40.781 40.800 0.002 0.000 0.920 729 D HN 0.174 nan 8.370 nan 0.000 0.479 730 R N 0.223 120.792 120.500 0.116 0.000 2.748 730 R HA 0.205 4.543 4.340 -0.004 0.000 0.395 730 R C -0.749 175.844 176.300 0.490 0.000 1.128 730 R CA -0.240 56.000 56.100 0.234 0.000 1.042 730 R CB 0.820 31.131 30.300 0.018 0.000 1.392 730 R HN -0.030 nan 8.270 nan 0.000 0.582 731 V N 1.731 121.877 119.914 0.386 0.000 2.370 731 V HA 0.263 4.381 4.120 -0.004 0.000 0.279 731 V C -0.139 176.052 176.094 0.163 0.000 1.029 731 V CA -0.812 61.691 62.300 0.338 0.000 0.870 731 V CB 1.437 33.428 31.823 0.281 0.000 0.984 731 V HN 0.082 nan 8.190 nan 0.000 0.451 732 K N 6.117 126.430 120.400 -0.144 0.000 2.382 732 K HA 0.231 4.548 4.320 -0.004 0.000 0.275 732 K C -0.058 176.497 176.600 -0.075 0.000 1.009 732 K CA 0.379 56.318 56.287 -0.581 0.000 0.970 732 K CB 0.425 32.321 32.500 -1.006 0.000 0.934 732 K HN 0.700 nan 8.250 nan 0.000 0.479 733 K N 2.119 122.473 120.400 -0.077 0.000 2.205 733 K HA 0.349 4.666 4.320 -0.004 0.000 0.279 733 K C 0.141 176.789 176.600 0.081 0.000 1.027 733 K CA 0.127 56.438 56.287 0.041 0.000 0.932 733 K CB 1.020 33.536 32.500 0.028 0.000 1.032 733 K HN 0.827 nan 8.250 nan 0.000 0.466 734 G N 2.658 111.531 108.800 0.120 0.000 2.326 734 G HA2 -0.260 3.698 3.960 -0.004 0.000 0.286 734 G HA3 -0.260 3.698 3.960 -0.004 0.000 0.286 734 G C -0.768 174.272 174.900 0.232 0.000 1.096 734 G CA -0.358 44.819 45.100 0.129 0.000 1.003 734 G HN 0.505 nan 8.290 nan 0.000 0.503 735 F N 1.162 121.141 119.950 0.047 0.000 3.094 735 F HA 0.438 4.961 4.527 -0.006 0.000 0.385 735 F C -0.838 175.025 175.800 0.105 0.000 1.231 735 F CA -1.736 56.307 58.000 0.071 0.000 1.207 735 F CB 1.247 40.312 39.000 0.109 0.000 1.703 735 F HN -0.009 nan 8.300 nan 0.000 0.610 736 D N 5.364 125.637 120.400 -0.212 0.000 2.767 736 D HA 0.122 4.760 4.640 -0.004 0.000 0.241 736 D C -0.586 175.497 176.300 -0.362 0.000 1.187 736 D CA 0.358 54.236 54.000 -0.203 0.000 0.999 736 D CB -0.156 40.577 40.800 -0.112 0.000 1.042 736 D HN 0.278 nan 8.370 nan 0.000 0.510 737 F N 0.748 120.219 119.950 -0.797 0.000 2.422 737 F HA 0.283 4.806 4.527 -0.007 0.000 0.333 737 F C 0.152 175.652 175.800 -0.500 0.000 1.095 737 F CA -0.775 56.725 58.000 -0.833 0.000 1.038 737 F CB 1.213 39.342 39.000 -1.452 0.000 1.156 737 F HN -0.139 nan 8.300 nan 0.000 0.483 738 Q N 6.139 125.457 119.800 -0.803 0.000 2.509 738 Q HA 0.139 4.476 4.340 -0.004 0.000 0.230 738 Q C -1.432 174.368 176.000 -0.333 0.000 1.089 738 Q CA -0.513 55.052 55.803 -0.397 0.000 0.901 738 Q CB 0.678 29.207 28.738 -0.348 0.000 1.208 738 Q HN 0.607 nan 8.270 nan 0.000 0.529 739 W N 2.937 124.338 121.300 0.169 0.000 2.158 739 W HA 0.104 4.763 4.660 -0.002 0.000 0.339 739 W C -1.253 175.300 176.519 0.057 0.000 1.294 739 W CA -1.485 56.032 57.345 0.287 0.000 1.231 739 W CB -0.007 29.666 29.460 0.354 0.000 1.143 739 W HN 0.529 nan 8.180 nan 0.000 0.571 740 P HA -0.187 nan 4.420 nan 0.000 0.217 740 P C -0.272 177.088 177.300 0.100 0.000 1.148 740 P CA 1.657 64.784 63.100 0.045 0.000 0.828 740 P CB 0.243 31.913 31.700 -0.051 0.000 0.783 741 Q N -1.033 118.870 119.800 0.173 0.000 2.309 741 Q HA 0.175 4.512 4.340 -0.004 0.000 0.270 741 Q C -1.869 174.234 176.000 0.173 0.000 1.023 741 Q CA -2.050 53.826 55.803 0.123 0.000 0.758 741 Q CB 2.278 31.053 28.738 0.061 0.000 1.247 741 Q HN 0.062 nan 8.270 nan 0.000 0.455 742 P HA -0.214 nan 4.420 nan 0.000 0.217 742 P C 0.354 177.752 177.300 0.164 0.000 1.148 742 P CA 1.638 64.872 63.100 0.223 0.000 0.828 742 P CB 0.377 32.170 31.700 0.155 0.000 0.783 743 D N -1.631 118.821 120.400 0.087 0.000 2.360 743 D HA 0.053 4.691 4.640 -0.004 0.000 0.210 743 D C 0.320 176.610 176.300 -0.017 0.000 1.047 743 D CA 0.335 54.376 54.000 0.068 0.000 0.854 743 D CB -0.383 40.466 40.800 0.081 0.000 0.936 743 D HN 0.088 nan 8.370 nan 0.000 0.514 744 K N 1.801 122.141 120.400 -0.101 0.000 2.389 744 K HA 0.336 4.653 4.320 -0.004 0.000 0.261 744 K C -2.471 173.831 176.600 -0.496 0.000 1.014 744 K CA -1.896 54.249 56.287 -0.236 0.000 0.920 744 K CB 2.264 34.684 32.500 -0.134 0.000 1.149 744 K HN -0.085 nan 8.250 nan 0.000 0.444 745 P HA 0.147 nan 4.420 nan 0.000 0.214 745 P C -1.117 175.440 177.300 -1.237 0.000 1.849 745 P CA -0.285 61.758 63.100 -1.762 0.000 1.022 745 P CB -0.203 30.663 31.700 -1.390 0.000 1.912 746 M N 1.067 120.319 119.600 -0.580 0.000 2.562 746 M HA 0.752 5.229 4.480 -0.004 0.000 0.281 746 M C -1.995 174.495 176.300 0.317 0.000 1.195 746 M CA -1.067 54.169 55.300 -0.105 0.000 0.888 746 M CB 2.395 34.895 32.600 -0.165 0.000 1.731 746 M HN -0.041 nan 8.290 nan 0.000 0.493 747 F N -0.278 119.892 119.950 0.365 0.000 2.770 747 F HA 0.775 5.298 4.527 -0.006 0.000 0.313 747 F C -2.635 173.519 175.800 0.590 0.000 1.154 747 F CA -1.314 56.959 58.000 0.455 0.000 0.923 747 F CB 1.163 40.423 39.000 0.434 0.000 1.301 747 F HN 0.645 nan 8.300 nan 0.000 0.449 748 F N 3.141 123.546 119.950 0.759 0.000 2.388 748 F HA 0.517 5.042 4.527 -0.003 0.000 0.358 748 F C -1.236 174.911 175.800 0.579 0.000 1.122 748 F CA -0.996 57.306 58.000 0.502 0.000 1.056 748 F CB 0.757 39.951 39.000 0.324 0.000 1.155 748 F HN 0.620 nan 8.300 nan 0.000 0.461 749 Y N 6.383 126.875 120.300 0.321 0.000 2.350 749 Y HA 0.478 5.026 4.550 -0.003 0.000 0.340 749 Y C -0.742 175.300 175.900 0.236 0.000 1.006 749 Y CA -0.694 57.621 58.100 0.358 0.000 1.166 749 Y CB 0.904 39.560 38.460 0.327 0.000 1.168 749 Y HN 0.314 nan 8.280 nan 0.000 0.502 750 V N 6.733 126.601 119.914 -0.077 0.000 2.470 750 V HA 0.194 4.311 4.120 -0.004 0.000 0.276 750 V C 0.005 176.013 176.094 -0.143 0.000 1.040 750 V CA 0.028 62.353 62.300 0.042 0.000 1.008 750 V CB 0.502 32.339 31.823 0.022 0.000 0.990 750 V HN 0.869 nan 8.190 nan 0.000 0.477 751 T N 5.205 119.791 114.554 0.052 0.000 2.829 751 T HA 0.453 4.800 4.350 -0.004 0.000 0.280 751 T C -0.015 174.708 174.700 0.040 0.000 0.999 751 T CA -0.539 61.601 62.100 0.067 0.000 0.983 751 T CB 1.711 70.650 68.868 0.118 0.000 0.968 751 T HN 0.675 nan 8.240 nan 0.000 0.446 752 Q N 1.073 120.884 119.800 0.019 0.000 2.324 752 Q HA 0.351 4.689 4.340 -0.004 0.000 0.373 752 Q C 0.833 176.828 176.000 -0.007 0.000 0.909 752 Q CA -0.643 55.162 55.803 0.003 0.000 1.135 752 Q CB 0.928 29.665 28.738 -0.002 0.000 1.313 752 Q HN 0.854 nan 8.270 nan 0.000 0.417 753 G N 0.583 109.377 108.800 -0.010 0.000 2.594 753 G HA2 0.074 4.032 3.960 -0.004 0.000 0.243 753 G HA3 0.074 4.032 3.960 -0.004 0.000 0.243 753 G C -0.316 174.555 174.900 -0.048 0.000 1.229 753 G CA -0.298 44.785 45.100 -0.029 0.000 0.843 753 G HN 0.257 nan 8.290 nan 0.000 0.578 754 Q N 0.205 119.974 119.800 -0.053 0.000 2.288 754 Q HA 0.180 4.517 4.340 -0.004 0.000 0.254 754 Q C 0.630 176.580 176.000 -0.083 0.000 0.932 754 Q CA -0.252 55.514 55.803 -0.062 0.000 0.902 754 Q CB 1.372 30.081 28.738 -0.049 0.000 1.203 754 Q HN 0.785 nan 8.270 nan 0.000 0.415 755 E N 2.665 122.811 120.200 -0.091 0.000 2.342 755 E HA 0.214 4.561 4.350 -0.004 0.000 0.257 755 E C -0.612 175.959 176.600 -0.048 0.000 1.150 755 E CA -0.406 55.939 56.400 -0.092 0.000 0.926 755 E CB 0.919 30.538 29.700 -0.136 0.000 1.074 755 E HN 0.682 nan 8.360 nan 0.000 0.449 756 E N 0.451 120.633 120.200 -0.030 0.000 2.423 756 E HA 0.368 4.715 4.350 -0.004 0.000 0.280 756 E C -0.850 175.678 176.600 -0.119 0.000 1.030 756 E CA -0.886 55.482 56.400 -0.054 0.000 0.812 756 E CB 0.788 30.427 29.700 -0.101 0.000 1.313 756 E HN 0.484 nan 8.360 nan 0.000 0.456 757 I N 1.446 121.892 120.570 -0.206 0.000 2.441 757 I HA 0.341 4.509 4.170 -0.004 0.000 0.287 757 I C 0.407 176.375 176.117 -0.249 0.000 1.049 757 I CA -0.647 60.424 61.300 -0.382 0.000 1.381 757 I CB 1.164 38.953 38.000 -0.351 0.000 1.409 757 I HN 0.642 nan 8.210 nan 0.000 0.523 758 A N 4.422 127.093 122.820 -0.248 0.000 2.454 758 A HA 0.087 4.404 4.320 -0.004 0.000 0.260 758 A C 1.417 178.937 177.584 -0.107 0.000 1.106 758 A CA -0.017 51.938 52.037 -0.137 0.000 0.780 758 A CB 0.583 19.530 19.000 -0.089 0.000 1.044 758 A HN 0.881 nan 8.150 nan 0.000 0.498 759 S N 2.480 118.137 115.700 -0.073 0.000 2.462 759 S HA -0.247 4.220 4.470 -0.004 0.000 0.251 759 S C 2.099 176.673 174.600 -0.044 0.000 1.018 759 S CA 2.319 60.487 58.200 -0.054 0.000 0.988 759 S CB -0.736 62.445 63.200 -0.033 0.000 0.766 759 S HN 1.312 nan 8.310 nan 0.000 0.504 760 S N 0.296 115.972 115.700 -0.041 0.000 2.368 760 S HA -0.025 4.442 4.470 -0.004 0.000 0.226 760 S C 2.030 176.601 174.600 -0.047 0.000 1.044 760 S CA 1.667 59.848 58.200 -0.033 0.000 1.062 760 S CB -1.512 61.674 63.200 -0.024 0.000 0.931 760 S HN 1.578 nan 8.310 nan 0.000 0.440 761 G N -0.041 108.711 108.800 -0.080 0.000 2.201 761 G HA2 -0.212 3.745 3.960 -0.004 0.000 0.212 761 G HA3 -0.212 3.745 3.960 -0.004 0.000 0.212 761 G C 0.708 175.542 174.900 -0.111 0.000 0.994 761 G CA 0.781 45.826 45.100 -0.092 0.000 0.644 761 G HN 1.403 nan 8.290 nan 0.000 0.508 762 T N -2.868 111.626 114.554 -0.100 0.000 3.170 762 T HA 0.684 5.032 4.350 -0.004 0.000 0.288 762 T C 0.332 174.994 174.700 -0.062 0.000 0.992 762 T CA 1.053 63.114 62.100 -0.065 0.000 0.909 762 T CB 1.041 69.902 68.868 -0.013 0.000 1.133 762 T HN 1.067 nan 8.240 nan 0.000 0.530 763 S N -0.613 114.983 115.700 -0.173 0.000 2.790 763 S HA 0.765 5.233 4.470 -0.004 0.000 0.292 763 S C -2.201 172.084 174.600 -0.525 0.000 1.197 763 S CA -0.729 57.394 58.200 -0.128 0.000 0.851 763 S CB 1.025 64.259 63.200 0.057 0.000 1.217 763 S HN 0.303 nan 8.310 nan 0.000 0.526 764 Y N 0.637 120.760 120.300 -0.295 0.000 2.536 764 Y HA 0.738 5.285 4.550 -0.005 0.000 0.347 764 Y C -0.370 175.346 175.900 -0.307 0.000 1.000 764 Y CA -0.896 56.929 58.100 -0.460 0.000 1.051 764 Y CB 1.808 39.702 38.460 -0.945 0.000 1.259 764 Y HN 0.705 nan 8.280 nan 0.000 0.468 765 L N 0.214 121.372 121.223 -0.108 0.000 2.415 765 L HA 0.716 5.054 4.340 -0.004 0.000 0.256 765 L C -1.543 175.216 176.870 -0.185 0.000 1.010 765 L CA -0.845 53.918 54.840 -0.128 0.000 0.826 765 L CB 2.379 44.337 42.059 -0.168 0.000 1.405 765 L HN 0.569 nan 8.230 nan 0.000 0.410 766 N N 0.942 119.528 118.700 -0.191 0.000 2.531 766 N HA 0.395 5.133 4.740 -0.004 0.000 0.268 766 N C 0.090 175.456 175.510 -0.241 0.000 1.023 766 N CA -0.429 52.509 53.050 -0.187 0.000 0.896 766 N CB 1.993 40.411 38.487 -0.115 0.000 1.233 766 N HN 0.844 nan 8.380 nan 0.000 0.512 767 R N 0.810 121.109 120.500 -0.335 0.000 2.075 767 R HA -0.044 4.294 4.340 -0.004 0.000 0.232 767 R C 1.516 177.730 176.300 -0.143 0.000 1.126 767 R CA 1.648 57.541 56.100 -0.344 0.000 0.963 767 R CB -0.109 30.013 30.300 -0.295 0.000 0.858 767 R HN 0.450 nan 8.270 nan 0.000 0.435 768 T N 0.748 115.242 114.554 -0.099 0.000 2.684 768 T HA -0.203 4.144 4.350 -0.004 0.000 0.267 768 T C 1.664 176.342 174.700 -0.036 0.000 1.036 768 T CA 1.523 63.594 62.100 -0.049 0.000 1.148 768 T CB -0.135 68.723 68.868 -0.017 0.000 0.863 768 T HN 0.381 nan 8.240 nan 0.000 0.436 769 E N 0.626 120.806 120.200 -0.032 0.000 2.058 769 E HA -0.145 4.202 4.350 -0.004 0.000 0.194 769 E C 2.415 179.004 176.600 -0.019 0.000 0.997 769 E CA 1.063 57.462 56.400 -0.001 0.000 0.801 769 E CB -0.228 29.469 29.700 -0.005 0.000 0.746 769 E HN 0.464 nan 8.360 nan 0.000 0.450 770 A N 1.152 123.950 122.820 -0.037 0.000 1.908 770 A HA -0.185 4.132 4.320 -0.004 0.000 0.218 770 A C 2.390 179.836 177.584 -0.230 0.000 1.181 770 A CA 2.015 54.024 52.037 -0.047 0.000 0.627 770 A CB -0.899 18.182 19.000 0.135 0.000 0.818 770 A HN 0.429 nan 8.150 nan 0.000 0.445 771 A N 0.366 122.975 122.820 -0.353 0.000 1.865 771 A HA -0.239 4.078 4.320 -0.004 0.000 0.217 771 A C 1.917 179.455 177.584 -0.077 0.000 1.191 771 A CA 1.924 53.761 52.037 -0.333 0.000 0.623 771 A CB -0.735 18.152 19.000 -0.189 0.000 0.826 771 A HN 0.544 nan 8.150 nan 0.000 0.444 772 N N 0.056 118.732 118.700 -0.039 0.000 2.205 772 N HA -0.116 4.621 4.740 -0.004 0.000 0.186 772 N C 1.642 177.115 175.510 -0.061 0.000 1.015 772 N CA 1.491 54.521 53.050 -0.034 0.000 0.862 772 N CB -0.527 37.984 38.487 0.041 0.000 0.986 772 N HN 0.292 nan 8.380 nan 0.000 0.429 773 V N 1.603 121.500 119.914 -0.028 0.000 2.358 773 V HA -0.221 3.897 4.120 -0.004 0.000 0.246 773 V C 2.438 178.546 176.094 0.023 0.000 1.047 773 V CA 1.976 64.273 62.300 -0.004 0.000 1.035 773 V CB -0.593 31.244 31.823 0.023 0.000 0.658 773 V HN 0.403 nan 8.190 nan 0.000 0.452 774 E N 1.212 121.435 120.200 0.037 0.000 2.077 774 E HA -0.250 4.097 4.350 -0.004 0.000 0.193 774 E C 1.995 178.652 176.600 0.096 0.000 0.989 774 E CA 1.725 58.166 56.400 0.067 0.000 0.800 774 E CB -0.497 29.263 29.700 0.100 0.000 0.746 774 E HN 0.514 nan 8.360 nan 0.000 0.452 775 K N 0.078 120.517 120.400 0.066 0.000 2.097 775 K HA -0.034 4.283 4.320 -0.004 0.000 0.206 775 K C 2.213 178.831 176.600 0.029 0.000 1.049 775 K CA 1.591 57.908 56.287 0.049 0.000 0.933 775 K CB -0.230 32.277 32.500 0.011 0.000 0.717 775 K HN 0.225 nan 8.250 nan 0.000 0.442 776 I N 0.704 121.273 120.570 -0.001 0.000 2.202 776 I HA -0.248 3.920 4.170 -0.004 0.000 0.242 776 I C 2.128 178.279 176.117 0.057 0.000 1.091 776 I CA 1.224 62.535 61.300 0.018 0.000 1.368 776 I CB -0.463 37.520 38.000 -0.028 0.000 1.058 776 I HN 0.137 nan 8.210 nan 0.000 0.410 777 T N -0.048 114.551 114.554 0.076 0.000 2.699 777 T HA -0.213 4.135 4.350 -0.004 0.000 0.268 777 T C 1.897 176.687 174.700 0.150 0.000 1.036 777 T CA 2.170 64.343 62.100 0.122 0.000 1.147 777 T CB -0.483 68.502 68.868 0.195 0.000 0.862 777 T HN 0.361 nan 8.240 nan 0.000 0.446 778 T N 1.163 115.830 114.554 0.188 0.000 2.777 778 T HA -0.045 4.302 4.350 -0.004 0.000 0.266 778 T C 2.073 176.818 174.700 0.075 0.000 1.040 778 T CA 1.180 63.378 62.100 0.163 0.000 1.141 778 T CB -0.173 68.813 68.868 0.197 0.000 0.868 778 T HN 0.193 nan 8.240 nan 0.000 0.444 779 K N 1.245 121.686 120.400 0.069 0.000 2.026 779 K HA 0.080 4.398 4.320 -0.004 0.000 0.208 779 K C 2.060 178.719 176.600 0.098 0.000 1.048 779 K CA 1.188 57.507 56.287 0.052 0.000 0.929 779 K CB -0.754 31.781 32.500 0.058 0.000 0.713 779 K HN 0.278 nan 8.250 nan 0.000 0.439 780 L N 0.163 121.447 121.223 0.101 0.000 2.042 780 L HA -0.213 4.124 4.340 -0.004 0.000 0.210 780 L C 2.319 179.206 176.870 0.028 0.000 1.076 780 L CA 1.163 56.005 54.840 0.003 0.000 0.749 780 L CB -0.459 41.474 42.059 -0.211 0.000 0.893 780 L HN 0.178 nan 8.230 nan 0.000 0.432 781 L N -0.455 120.778 121.223 0.018 0.000 2.017 781 L HA -0.224 4.113 4.340 -0.004 0.000 0.208 781 L C 2.669 179.543 176.870 0.006 0.000 1.073 781 L CA 1.440 56.283 54.840 0.005 0.000 0.745 781 L CB -0.432 41.606 42.059 -0.035 0.000 0.894 781 L HN 0.176 nan 8.230 nan 0.000 0.432 782 K N -0.050 120.348 120.400 -0.003 0.000 2.103 782 K HA -0.163 4.155 4.320 -0.004 0.000 0.207 782 K C 2.083 178.667 176.600 -0.027 0.000 1.048 782 K CA 1.370 57.645 56.287 -0.019 0.000 0.930 782 K CB -0.252 32.229 32.500 -0.031 0.000 0.716 782 K HN 0.299 nan 8.250 nan 0.000 0.444 783 A N -0.074 122.728 122.820 -0.030 0.000 2.121 783 A HA 0.017 4.334 4.320 -0.004 0.000 0.218 783 A C 1.605 179.190 177.584 0.001 0.000 1.154 783 A CA 1.634 53.606 52.037 -0.109 0.000 0.679 783 A CB -0.226 18.625 19.000 -0.247 0.000 0.795 783 A HN 0.489 nan 8.150 nan 0.000 0.458 784 G N -2.796 106.075 108.800 0.117 0.000 2.421 784 G HA2 0.239 4.197 3.960 -0.004 0.000 0.188 784 G HA3 0.239 4.197 3.960 -0.004 0.000 0.188 784 G C 0.430 175.447 174.900 0.196 0.000 1.001 784 G CA 0.016 45.219 45.100 0.173 0.000 0.693 784 G HN 1.423 nan 8.290 nan 0.000 0.479 785 A N 0.980 123.933 122.820 0.220 0.000 2.511 785 A HA 0.517 4.834 4.320 -0.004 0.000 0.242 785 A C 0.584 178.216 177.584 0.079 0.000 1.069 785 A CA 0.594 52.690 52.037 0.099 0.000 0.763 785 A CB 0.193 19.121 19.000 -0.119 0.000 1.001 785 A HN 0.349 nan 8.150 nan 0.000 0.498 786 K N 3.674 124.129 120.400 0.092 0.000 2.339 786 K HA 0.161 4.479 4.320 -0.004 0.000 0.286 786 K C -1.463 175.182 176.600 0.075 0.000 1.050 786 K CA -1.555 54.771 56.287 0.066 0.000 0.956 786 K CB 0.953 33.487 32.500 0.057 0.000 0.990 786 K HN 0.510 nan 8.250 nan 0.000 0.475 787 P HA -0.228 nan 4.420 nan 0.000 0.215 787 P C 0.514 177.863 177.300 0.083 0.000 1.157 787 P CA 1.587 64.720 63.100 0.055 0.000 0.874 787 P CB 0.043 31.756 31.700 0.021 0.000 0.790 788 D N -1.005 119.438 120.400 0.070 0.000 2.384 788 D HA -0.159 4.479 4.640 -0.004 0.000 0.222 788 D C 1.405 177.764 176.300 0.098 0.000 0.976 788 D CA 0.882 54.931 54.000 0.081 0.000 0.915 788 D CB -0.884 39.952 40.800 0.059 0.000 0.896 788 D HN 0.158 nan 8.370 nan 0.000 0.523 789 Q N -0.201 119.663 119.800 0.106 0.000 2.220 789 Q HA 0.333 4.670 4.340 -0.004 0.000 0.205 789 Q C 0.023 176.125 176.000 0.169 0.000 0.865 789 Q CA -0.141 55.734 55.803 0.119 0.000 0.960 789 Q CB 0.944 29.746 28.738 0.107 0.000 1.097 789 Q HN 0.448 nan 8.270 nan 0.000 0.493 790 I N 0.394 121.063 120.570 0.164 0.000 2.378 790 I HA 0.455 4.622 4.170 -0.004 0.000 0.291 790 I C 0.335 176.537 176.117 0.142 0.000 0.992 790 I CA -0.865 60.535 61.300 0.167 0.000 1.154 790 I CB 2.046 40.133 38.000 0.145 0.000 1.315 790 I HN -0.099 nan 8.210 nan 0.000 0.448 791 G N 6.794 115.640 108.800 0.077 0.000 2.461 791 G HA2 0.770 4.728 3.960 -0.004 0.000 0.323 791 G HA3 0.770 4.728 3.960 -0.004 0.000 0.323 791 G C -0.908 173.996 174.900 0.007 0.000 1.229 791 G CA -0.452 44.672 45.100 0.040 0.000 0.941 791 G HN 0.482 nan 8.290 nan 0.000 0.477 792 I N 2.282 122.937 120.570 0.141 0.000 2.382 792 I HA 0.354 4.521 4.170 -0.004 0.000 0.286 792 I C -0.323 175.925 176.117 0.218 0.000 1.002 792 I CA -0.514 60.863 61.300 0.128 0.000 1.135 792 I CB 1.838 39.930 38.000 0.153 0.000 1.288 792 I HN 0.198 nan 8.210 nan 0.000 0.448 793 I N 5.065 125.725 120.570 0.150 0.000 2.392 793 I HA 0.473 4.641 4.170 -0.004 0.000 0.295 793 I C 0.057 176.402 176.117 0.380 0.000 0.985 793 I CA -0.277 61.195 61.300 0.286 0.000 1.221 793 I CB 1.961 40.057 38.000 0.159 0.000 1.366 793 I HN 0.474 nan 8.210 nan 0.000 0.467 794 T N 6.104 120.890 114.554 0.387 0.000 3.041 794 T HA 0.374 4.721 4.350 -0.004 0.000 0.321 794 T C -2.326 172.413 174.700 0.065 0.000 1.184 794 T CA -1.365 60.913 62.100 0.296 0.000 1.050 794 T CB 1.951 70.955 68.868 0.227 0.000 1.159 794 T HN 0.244 nan 8.240 nan 0.000 0.469 795 P HA 0.112 nan 4.420 nan 0.000 0.226 795 P C -0.647 176.310 177.300 -0.572 0.000 1.153 795 P CA 0.786 63.524 63.100 -0.603 0.000 0.777 795 P CB -0.042 30.989 31.700 -1.115 0.000 0.794 796 Y N -1.104 119.185 120.300 -0.019 0.000 2.364 796 Y HA 0.240 4.787 4.550 -0.005 0.000 0.340 796 Y C 1.722 177.654 175.900 0.053 0.000 0.975 796 Y CA -0.846 57.273 58.100 0.032 0.000 1.089 796 Y CB 1.556 40.051 38.460 0.059 0.000 1.192 796 Y HN -0.285 nan 8.280 nan 0.000 0.454 797 E N 2.281 122.597 120.200 0.194 0.000 2.058 797 E HA -0.135 4.213 4.350 -0.004 0.000 0.194 797 E C 2.216 178.903 176.600 0.145 0.000 0.997 797 E CA 2.012 58.494 56.400 0.137 0.000 0.801 797 E CB -0.427 29.333 29.700 0.101 0.000 0.746 797 E HN 0.954 nan 8.360 nan 0.000 0.450 798 G N -0.084 108.805 108.800 0.149 0.000 2.469 798 G HA2 -0.381 3.576 3.960 -0.004 0.000 0.220 798 G HA3 -0.381 3.576 3.960 -0.004 0.000 0.220 798 G C 1.673 176.658 174.900 0.141 0.000 1.136 798 G CA 1.176 46.339 45.100 0.104 0.000 0.759 798 G HN 0.371 nan 8.290 nan 0.000 0.562 799 Q N 0.110 120.015 119.800 0.175 0.000 2.062 799 Q HA 0.082 4.419 4.340 -0.004 0.000 0.196 799 Q C 2.547 178.669 176.000 0.203 0.000 0.967 799 Q CA 1.252 57.167 55.803 0.187 0.000 0.832 799 Q CB -0.384 28.469 28.738 0.192 0.000 0.899 799 Q HN 0.445 nan 8.270 nan 0.000 0.442 800 R N -0.482 120.126 120.500 0.179 0.000 2.096 800 R HA -0.177 4.161 4.340 -0.004 0.000 0.240 800 R C 2.342 178.726 176.300 0.140 0.000 1.139 800 R CA 1.840 58.033 56.100 0.155 0.000 0.952 800 R CB -0.650 29.730 30.300 0.133 0.000 0.854 800 R HN 0.337 nan 8.270 nan 0.000 0.436 801 S N -0.629 115.154 115.700 0.139 0.000 2.355 801 S HA -0.181 4.287 4.470 -0.004 0.000 0.222 801 S C 1.777 176.456 174.600 0.132 0.000 1.031 801 S CA 1.109 59.380 58.200 0.118 0.000 0.993 801 S CB -0.461 62.802 63.200 0.105 0.000 0.859 801 S HN 0.554 nan 8.310 nan 0.000 0.453 802 Y N 1.156 121.487 120.300 0.051 0.000 2.224 802 Y HA -0.047 4.501 4.550 -0.003 0.000 0.289 802 Y C 1.940 177.892 175.900 0.086 0.000 1.146 802 Y CA 1.309 59.438 58.100 0.049 0.000 1.182 802 Y CB -0.342 38.131 38.460 0.022 0.000 0.983 802 Y HN 0.283 nan 8.280 nan 0.000 0.524 803 L N -0.807 120.490 121.223 0.123 0.000 2.109 803 L HA -0.102 4.236 4.340 -0.004 0.000 0.207 803 L C 2.549 179.438 176.870 0.032 0.000 1.086 803 L CA 1.408 56.292 54.840 0.074 0.000 0.760 803 L CB -1.174 40.965 42.059 0.134 0.000 0.910 803 L HN 0.269 nan 8.230 nan 0.000 0.437 804 V N -0.936 119.008 119.914 0.050 0.000 2.379 804 V HA -0.270 3.847 4.120 -0.004 0.000 0.245 804 V C 2.505 178.623 176.094 0.040 0.000 1.044 804 V CA 1.820 64.154 62.300 0.056 0.000 1.036 804 V CB -0.075 31.795 31.823 0.078 0.000 0.664 804 V HN 0.621 nan 8.190 nan 0.000 0.453 805 Q N -1.204 118.597 119.800 0.002 0.000 2.050 805 Q HA -0.269 4.069 4.340 -0.004 0.000 0.202 805 Q C 2.195 178.181 176.000 -0.024 0.000 0.980 805 Q CA 2.590 58.389 55.803 -0.006 0.000 0.840 805 Q CB -0.384 28.274 28.738 -0.134 0.000 0.898 805 Q HN 0.816 nan 8.270 nan 0.000 0.424 806 Y N 0.651 120.744 120.300 -0.345 0.000 2.097 806 Y HA -0.247 4.300 4.550 -0.004 0.000 0.282 806 Y C 2.152 177.942 175.900 -0.183 0.000 1.152 806 Y CA 2.100 59.988 58.100 -0.353 0.000 1.136 806 Y CB -0.234 37.901 38.460 -0.543 0.000 0.975 806 Y HN 0.108 nan 8.280 nan 0.000 0.498 807 M N -0.497 119.006 119.600 -0.162 0.000 2.279 807 M HA -0.234 4.244 4.480 -0.004 0.000 0.264 807 M C 2.234 178.368 176.300 -0.276 0.000 1.062 807 M CA 1.823 56.876 55.300 -0.412 0.000 1.099 807 M CB -0.283 32.028 32.600 -0.482 0.000 1.394 807 M HN 0.320 nan 8.290 nan 0.000 0.426 808 Q N 0.093 119.855 119.800 -0.064 0.000 2.079 808 Q HA -0.093 4.245 4.340 -0.004 0.000 0.200 808 Q C 1.076 176.967 176.000 -0.182 0.000 0.974 808 Q CA 1.730 57.513 55.803 -0.033 0.000 0.840 808 Q CB 0.152 28.957 28.738 0.112 0.000 0.898 808 Q HN 0.466 nan 8.270 nan 0.000 0.430 809 F N -1.544 118.277 119.950 -0.216 0.000 2.678 809 F HA 0.297 4.823 4.527 -0.002 0.000 0.305 809 F C 0.849 176.463 175.800 -0.309 0.000 1.090 809 F CA -0.045 57.829 58.000 -0.210 0.000 1.272 809 F CB 1.084 39.983 39.000 -0.168 0.000 1.060 809 F HN -0.083 nan 8.300 nan 0.000 0.576 810 S N -1.569 113.924 115.700 -0.344 0.000 2.760 810 S HA 0.225 4.693 4.470 -0.004 0.000 0.263 810 S C 0.913 175.246 174.600 -0.444 0.000 1.007 810 S CA -0.219 57.669 58.200 -0.521 0.000 1.358 810 S CB 0.186 62.729 63.200 -1.095 0.000 1.228 810 S HN 0.195 nan 8.310 nan 0.000 0.684 811 G N 1.989 110.573 108.800 -0.360 0.000 2.606 811 G HA2 0.389 4.346 3.960 -0.004 0.000 0.252 811 G HA3 0.389 4.346 3.960 -0.004 0.000 0.252 811 G C 0.868 175.809 174.900 0.068 0.000 1.206 811 G CA 0.304 45.301 45.100 -0.171 0.000 0.861 811 G HN 0.347 nan 8.290 nan 0.000 0.561 812 S N 0.219 116.025 115.700 0.176 0.000 2.439 812 S HA 0.160 4.627 4.470 -0.004 0.000 0.224 812 S C 1.072 175.743 174.600 0.120 0.000 1.029 812 S CA -0.179 58.088 58.200 0.111 0.000 0.946 812 S CB -0.309 62.940 63.200 0.083 0.000 0.797 812 S HN 0.355 nan 8.310 nan 0.000 0.504 813 L N 2.157 123.496 121.223 0.194 0.000 2.466 813 L HA 0.328 4.665 4.340 -0.004 0.000 0.257 813 L C 1.168 178.053 176.870 0.026 0.000 1.189 813 L CA -0.872 53.966 54.840 -0.004 0.000 0.813 813 L CB 0.088 41.965 42.059 -0.304 0.000 1.118 813 L HN 0.348 nan 8.230 nan 0.000 0.471 814 H N 0.610 119.618 119.070 -0.104 0.000 3.092 814 H HA -0.128 4.422 4.556 -0.010 0.000 0.332 814 H C 0.974 176.274 175.328 -0.047 0.000 1.029 814 H CA 1.086 57.093 56.048 -0.069 0.000 1.376 814 H CB 1.130 30.843 29.762 -0.081 0.000 1.329 814 H HN 0.688 nan 8.280 nan 0.000 0.598 815 T N 3.546 118.219 114.554 0.198 0.000 2.833 815 T HA -0.110 4.238 4.350 -0.004 0.000 0.269 815 T C 1.880 176.718 174.700 0.230 0.000 1.054 815 T CA 1.679 63.905 62.100 0.210 0.000 1.135 815 T CB 0.109 69.004 68.868 0.046 0.000 0.869 815 T HN 0.591 nan 8.240 nan 0.000 0.466 816 K N 0.260 120.821 120.400 0.269 0.000 2.025 816 K HA 0.045 4.362 4.320 -0.004 0.000 0.207 816 K C 2.255 178.863 176.600 0.013 0.000 1.049 816 K CA 1.219 57.546 56.287 0.067 0.000 0.933 816 K CB -0.339 32.112 32.500 -0.082 0.000 0.714 816 K HN 0.315 nan 8.250 nan 0.000 0.438 817 L N -0.021 121.165 121.223 -0.062 0.000 2.021 817 L HA -0.272 4.066 4.340 -0.004 0.000 0.215 817 L C 2.339 179.152 176.870 -0.094 0.000 1.074 817 L CA 1.706 56.461 54.840 -0.141 0.000 0.760 817 L CB -0.658 41.237 42.059 -0.273 0.000 0.889 817 L HN 0.243 nan 8.230 nan 0.000 0.433 818 Y N -0.915 119.416 120.300 0.052 0.000 2.293 818 Y HA -0.251 4.299 4.550 0.001 0.000 0.291 818 Y C 2.788 178.722 175.900 0.056 0.000 1.137 818 Y CA 0.876 59.009 58.100 0.055 0.000 1.202 818 Y CB -0.187 38.304 38.460 0.052 0.000 0.990 818 Y HN 0.213 nan 8.280 nan 0.000 0.537 819 Q N 0.259 120.177 119.800 0.198 0.000 2.291 819 Q HA -0.214 4.124 4.340 -0.004 0.000 0.206 819 Q C 1.342 177.403 176.000 0.101 0.000 0.976 819 Q CA 1.278 57.161 55.803 0.132 0.000 0.875 819 Q CB 0.043 28.838 28.738 0.096 0.000 0.927 819 Q HN 0.516 nan 8.270 nan 0.000 0.450 820 E N -0.877 119.374 120.200 0.086 0.000 2.489 820 E HA 0.022 4.369 4.350 -0.004 0.000 0.193 820 E C -0.704 175.954 176.600 0.098 0.000 1.057 820 E CA -0.216 56.227 56.400 0.072 0.000 0.866 820 E CB 0.787 30.514 29.700 0.044 0.000 0.916 820 E HN 0.009 nan 8.360 nan 0.000 0.500 821 V N 2.210 122.202 119.914 0.129 0.000 2.427 821 V HA 0.048 4.165 4.120 -0.004 0.000 0.268 821 V C 0.235 176.428 176.094 0.164 0.000 1.046 821 V CA -0.218 62.175 62.300 0.154 0.000 0.970 821 V CB 0.980 32.914 31.823 0.184 0.000 1.001 821 V HN 0.131 nan 8.190 nan 0.000 0.476 822 E N 5.159 125.473 120.200 0.190 0.000 2.290 822 E HA 0.394 4.741 4.350 -0.004 0.000 0.277 822 E C -0.885 175.886 176.600 0.285 0.000 1.035 822 E CA -0.243 56.283 56.400 0.210 0.000 0.873 822 E CB 0.604 30.451 29.700 0.245 0.000 1.029 822 E HN 0.635 nan 8.360 nan 0.000 0.419 823 I N 4.073 124.768 120.570 0.209 0.000 2.418 823 I HA 0.655 4.822 4.170 -0.004 0.000 0.287 823 I C -0.200 176.027 176.117 0.183 0.000 1.008 823 I CA -0.496 60.943 61.300 0.231 0.000 1.104 823 I CB 1.583 39.686 38.000 0.172 0.000 1.264 823 I HN 0.605 nan 8.210 nan 0.000 0.438 824 A N 3.930 126.911 122.820 0.268 0.000 2.493 824 A HA 0.767 5.084 4.320 -0.004 0.000 0.300 824 A C -0.495 177.236 177.584 0.245 0.000 1.152 824 A CA -0.550 51.575 52.037 0.145 0.000 0.643 824 A CB 1.137 20.068 19.000 -0.116 0.000 1.316 824 A HN 0.646 nan 8.150 nan 0.000 0.469 825 S N -0.441 115.348 115.700 0.149 0.000 2.608 825 S HA 0.367 4.835 4.470 -0.004 0.000 0.261 825 S C 1.404 176.180 174.600 0.292 0.000 1.314 825 S CA 0.032 58.340 58.200 0.182 0.000 0.992 825 S CB 0.746 63.993 63.200 0.079 0.000 0.935 825 S HN 2.084 nan 8.310 nan 0.000 0.564 826 V N -1.453 118.651 119.914 0.316 0.000 2.490 826 V HA -0.144 3.973 4.120 -0.004 0.000 0.250 826 V C 1.501 177.720 176.094 0.207 0.000 1.061 826 V CA 2.128 64.622 62.300 0.323 0.000 1.064 826 V CB -1.468 30.512 31.823 0.262 0.000 0.670 826 V HN 0.772 nan 8.190 nan 0.000 0.461 827 D N 1.983 122.456 120.400 0.122 0.000 2.133 827 D HA -0.122 4.516 4.640 -0.004 0.000 0.195 827 D C 2.216 178.525 176.300 0.015 0.000 0.997 827 D CA 2.105 56.139 54.000 0.057 0.000 0.840 827 D CB -0.447 40.372 40.800 0.031 0.000 0.947 827 D HN 0.633 nan 8.370 nan 0.000 0.452 828 A N -0.662 122.131 122.820 -0.044 0.000 2.121 828 A HA -0.055 4.263 4.320 -0.004 0.000 0.218 828 A C 1.273 178.676 177.584 -0.301 0.000 1.154 828 A CA 0.715 52.627 52.037 -0.207 0.000 0.679 828 A CB -0.480 18.319 19.000 -0.335 0.000 0.795 828 A HN 0.195 nan 8.150 nan 0.000 0.458 829 F N 0.179 120.148 119.950 0.031 0.000 2.695 829 F HA 0.177 4.701 4.527 -0.005 0.000 0.303 829 F C 0.822 176.625 175.800 0.006 0.000 1.091 829 F CA -0.377 57.636 58.000 0.022 0.000 1.300 829 F CB -0.047 38.970 39.000 0.029 0.000 1.071 829 F HN 0.197 nan 8.300 nan 0.000 0.578 830 Q N 0.471 120.349 119.800 0.129 0.000 2.269 830 Q HA 0.222 4.559 4.340 -0.004 0.000 0.300 830 Q C 1.375 177.406 176.000 0.052 0.000 1.070 830 Q CA 0.986 56.831 55.803 0.070 0.000 0.957 830 Q CB 0.131 28.887 28.738 0.030 0.000 1.131 830 Q HN 0.553 nan 8.270 nan 0.000 0.377 831 G N 2.685 111.507 108.800 0.037 0.000 2.168 831 G HA2 -0.318 3.639 3.960 -0.004 0.000 0.257 831 G HA3 -0.318 3.639 3.960 -0.004 0.000 0.257 831 G C -0.049 174.872 174.900 0.035 0.000 0.997 831 G CA 0.362 45.474 45.100 0.019 0.000 0.708 831 G HN 0.546 nan 8.290 nan 0.000 0.520 832 R N -0.214 120.330 120.500 0.074 0.000 2.867 832 R HA 0.688 5.025 4.340 -0.004 0.000 0.268 832 R C -0.274 176.088 176.300 0.102 0.000 1.014 832 R CA -0.568 55.592 56.100 0.101 0.000 0.946 832 R CB 1.545 31.941 30.300 0.159 0.000 1.208 832 R HN 0.537 nan 8.270 nan 0.000 0.477 833 E N 1.046 121.296 120.200 0.082 0.000 2.413 833 E HA 0.537 4.885 4.350 -0.004 0.000 0.277 833 E C -1.197 175.421 176.600 0.029 0.000 0.958 833 E CA -1.227 55.188 56.400 0.024 0.000 0.779 833 E CB 2.307 31.994 29.700 -0.022 0.000 1.278 833 E HN 0.088 nan 8.360 nan 0.000 0.456 834 K N 0.769 121.151 120.400 -0.030 0.000 2.509 834 K HA 0.243 4.560 4.320 -0.004 0.000 0.266 834 K C -0.381 176.161 176.600 -0.097 0.000 0.987 834 K CA -0.765 55.508 56.287 -0.022 0.000 0.868 834 K CB 1.669 34.158 32.500 -0.017 0.000 1.421 834 K HN 0.480 nan 8.250 nan 0.000 0.444 835 D N 0.204 120.541 120.400 -0.105 0.000 2.123 835 D HA 0.032 4.670 4.640 -0.004 0.000 0.200 835 D C -0.060 175.799 176.300 -0.734 0.000 0.976 835 D CA 1.485 55.280 54.000 -0.342 0.000 0.831 835 D CB 0.106 40.685 40.800 -0.369 0.000 0.974 835 D HN 0.246 nan 8.370 nan 0.000 0.469 836 F N -0.088 119.855 119.950 -0.012 0.000 2.569 836 F HA 0.399 4.924 4.527 -0.003 0.000 0.312 836 F C -0.233 175.527 175.800 -0.067 0.000 1.109 836 F CA -1.087 56.892 58.000 -0.034 0.000 0.919 836 F CB 2.040 41.010 39.000 -0.050 0.000 1.211 836 F HN -0.343 nan 8.300 nan 0.000 0.446 837 I N 4.356 124.973 120.570 0.078 0.000 2.433 837 I HA 0.434 4.601 4.170 -0.004 0.000 0.292 837 I C -0.337 175.769 176.117 -0.019 0.000 1.001 837 I CA -0.957 60.315 61.300 -0.047 0.000 1.119 837 I CB 1.784 39.695 38.000 -0.148 0.000 1.289 837 I HN 0.502 nan 8.210 nan 0.000 0.438 838 I N 6.386 126.939 120.570 -0.027 0.000 2.354 838 I HA 0.320 4.487 4.170 -0.004 0.000 0.292 838 I C -0.599 175.505 176.117 -0.021 0.000 0.989 838 I CA -0.892 60.392 61.300 -0.026 0.000 1.188 838 I CB 1.746 39.746 38.000 0.000 0.000 1.342 838 I HN 0.201 nan 8.210 nan 0.000 0.457 839 L N 5.194 126.396 121.223 -0.036 0.000 2.289 839 L HA 0.361 4.698 4.340 -0.004 0.000 0.285 839 L C 0.236 177.159 176.870 0.088 0.000 1.049 839 L CA 0.222 55.067 54.840 0.009 0.000 0.804 839 L CB 1.630 43.627 42.059 -0.103 0.000 1.195 839 L HN 0.519 nan 8.230 nan 0.000 0.428 840 S N 2.132 117.965 115.700 0.222 0.000 2.566 840 S HA 0.256 4.723 4.470 -0.004 0.000 0.324 840 S C 0.754 175.532 174.600 0.297 0.000 1.081 840 S CA -0.686 57.627 58.200 0.189 0.000 1.105 840 S CB 0.482 63.775 63.200 0.155 0.000 0.981 840 S HN 0.775 nan 8.310 nan 0.000 0.464 841 C N 3.541 122.968 119.300 0.211 0.000 2.495 841 C HA 0.132 4.590 4.460 -0.004 0.000 0.275 841 C C 2.066 177.075 174.990 0.032 0.000 1.392 841 C CA 0.419 59.537 59.018 0.167 0.000 1.766 841 C CB -1.383 26.372 27.740 0.025 0.000 1.933 841 C HN 0.916 nan 8.230 nan 0.000 0.519 842 V N -1.102 118.818 119.914 0.010 0.000 0.449 842 V HA -0.263 3.854 4.120 -0.004 0.000 0.092 842 V C 0.582 176.554 176.094 -0.203 0.000 2.531 842 V CA 2.031 64.297 62.300 -0.056 0.000 3.708 842 V CB -1.180 30.660 31.823 0.028 0.000 0.981 842 V HN 0.525 nan 8.190 nan 0.000 1.031 843 R N 0.474 120.788 120.500 -0.310 0.000 2.347 843 R HA 0.686 5.024 4.340 -0.004 0.000 0.304 843 R C 0.743 176.814 176.300 -0.382 0.000 1.072 843 R CA 0.482 56.268 56.100 -0.523 0.000 0.980 843 R CB 0.715 30.415 30.300 -0.999 0.000 0.986 843 R HN 0.693 nan 8.270 nan 0.000 0.448 844 A N 3.065 125.712 122.820 -0.288 0.000 2.358 844 A HA 0.159 4.477 4.320 -0.004 0.000 0.223 844 A C 0.358 177.869 177.584 -0.122 0.000 1.218 844 A CA -0.019 51.920 52.037 -0.163 0.000 0.942 844 A CB 0.304 19.238 19.000 -0.111 0.000 1.005 844 A HN 0.511 nan 8.150 nan 0.000 0.514 845 N N 0.299 118.911 118.700 -0.147 0.000 2.483 845 N HA 0.239 4.977 4.740 -0.004 0.000 0.285 845 N C -0.458 175.061 175.510 0.014 0.000 1.210 845 N CA -0.465 52.548 53.050 -0.063 0.000 0.931 845 N CB 0.788 39.243 38.487 -0.054 0.000 1.220 845 N HN 0.426 nan 8.380 nan 0.000 0.542 846 E N 0.860 121.093 120.200 0.055 0.000 2.452 846 E HA -0.059 4.289 4.350 -0.004 0.000 0.261 846 E C -0.716 175.970 176.600 0.144 0.000 0.987 846 E CA 0.356 56.819 56.400 0.106 0.000 0.926 846 E CB 0.180 29.905 29.700 0.041 0.000 0.934 846 E HN 0.561 nan 8.360 nan 0.000 0.452 847 H N 2.185 121.219 119.070 -0.059 0.000 3.121 847 H HA 0.024 4.577 4.556 -0.004 0.000 0.337 847 H C -0.368 174.940 175.328 -0.034 0.000 1.198 847 H CA -0.761 55.244 56.048 -0.070 0.000 1.274 847 H CB 0.824 30.498 29.762 -0.146 0.000 1.954 847 H HN 0.672 nan 8.280 nan 0.000 0.531 848 Q N 2.083 121.805 119.800 -0.129 0.000 2.046 848 Q HA 0.163 4.501 4.340 -0.004 0.000 0.200 848 Q C 0.519 176.424 176.000 -0.159 0.000 0.975 848 Q CA 1.680 57.395 55.803 -0.147 0.000 0.836 848 Q CB -0.219 28.503 28.738 -0.026 0.000 0.896 848 Q HN 1.085 nan 8.270 nan 0.000 0.428 849 G N 0.717 109.555 108.800 0.063 0.000 2.733 849 G HA2 -0.214 3.743 3.960 -0.004 0.000 0.686 849 G HA3 -0.214 3.743 3.960 -0.004 0.000 0.686 849 G C -0.299 174.665 174.900 0.107 0.000 1.373 849 G CA -0.107 45.138 45.100 0.242 0.000 0.838 849 G HN 0.639 nan 8.290 nan 0.000 0.588 850 I N -0.567 120.037 120.570 0.057 0.000 3.449 850 I HA 0.949 5.116 4.170 -0.004 0.000 0.294 850 I C 1.348 177.359 176.117 -0.178 0.000 1.163 850 I CA -0.076 61.190 61.300 -0.057 0.000 1.010 850 I CB 1.603 39.561 38.000 -0.069 0.000 1.307 850 I HN 2.664 nan 8.210 nan 0.000 0.518 851 G N 1.827 110.532 108.800 -0.158 0.000 2.574 851 G HA2 -0.366 3.592 3.960 -0.004 0.000 0.282 851 G HA3 -0.366 3.592 3.960 -0.004 0.000 0.282 851 G C 0.110 174.989 174.900 -0.036 0.000 1.257 851 G CA 0.787 45.781 45.100 -0.176 0.000 0.956 851 G HN 1.466 nan 8.290 nan 0.000 0.560 852 F N 0.347 120.348 119.950 0.084 0.000 2.722 852 F HA 0.399 4.923 4.527 -0.005 0.000 0.298 852 F C 2.131 178.160 175.800 0.381 0.000 1.175 852 F CA 1.130 59.246 58.000 0.193 0.000 1.462 852 F CB -0.601 38.520 39.000 0.201 0.000 1.111 852 F HN 0.252 nan 8.300 nan 0.000 0.592 853 L N 1.182 122.569 121.223 0.273 0.000 2.156 853 L HA -0.096 4.241 4.340 -0.004 0.000 0.208 853 L C 1.923 179.032 176.870 0.399 0.000 1.095 853 L CA 1.370 56.442 54.840 0.387 0.000 0.770 853 L CB -0.488 41.670 42.059 0.166 0.000 0.914 853 L HN 0.418 nan 8.230 nan 0.000 0.439 854 N N -3.061 115.786 118.700 0.245 0.000 2.143 854 N HA 0.002 4.739 4.740 -0.004 0.000 0.222 854 N C -0.310 175.290 175.510 0.151 0.000 1.264 854 N CA -0.081 53.072 53.050 0.172 0.000 0.897 854 N CB 0.384 38.914 38.487 0.071 0.000 1.092 854 N HN 0.001 nan 8.380 nan 0.000 0.516 855 D N 1.416 121.918 120.400 0.170 0.000 2.381 855 D HA 0.393 5.030 4.640 -0.004 0.000 0.235 855 D C -1.820 174.558 176.300 0.130 0.000 1.068 855 D CA -2.024 52.048 54.000 0.121 0.000 0.832 855 D CB 2.580 43.433 40.800 0.089 0.000 1.101 855 D HN -0.111 nan 8.370 nan 0.000 0.515 856 P HA -0.045 nan 4.420 nan 0.000 0.217 856 P C 1.207 178.470 177.300 -0.061 0.000 1.150 856 P CA 0.907 64.094 63.100 0.146 0.000 0.832 856 P CB 0.500 32.333 31.700 0.223 0.000 0.787 857 R N -0.475 119.965 120.500 -0.100 0.000 2.081 857 R HA -0.020 4.317 4.340 -0.004 0.000 0.235 857 R C 2.463 178.658 176.300 -0.174 0.000 1.131 857 R CA 1.306 57.272 56.100 -0.223 0.000 0.960 857 R CB -0.389 29.842 30.300 -0.114 0.000 0.856 857 R HN 0.139 nan 8.270 nan 0.000 0.436 858 R N -0.137 120.344 120.500 -0.032 0.000 2.092 858 R HA -0.097 4.241 4.340 -0.004 0.000 0.231 858 R C 2.086 178.423 176.300 0.061 0.000 1.119 858 R CA 0.965 57.099 56.100 0.056 0.000 0.970 858 R CB -0.437 29.959 30.300 0.160 0.000 0.864 858 R HN 0.124 nan 8.270 nan 0.000 0.440 859 L N 1.781 123.033 121.223 0.048 0.000 2.083 859 L HA -0.166 4.172 4.340 -0.004 0.000 0.209 859 L C 1.873 178.642 176.870 -0.167 0.000 1.083 859 L CA 1.736 56.561 54.840 -0.025 0.000 0.752 859 L CB -0.860 41.189 42.059 -0.017 0.000 0.899 859 L HN 0.208 nan 8.230 nan 0.000 0.433 860 N N -0.870 117.582 118.700 -0.414 0.000 2.069 860 N HA -0.192 4.546 4.740 -0.004 0.000 0.191 860 N C 1.738 177.090 175.510 -0.262 0.000 1.031 860 N CA 1.968 54.651 53.050 -0.612 0.000 0.852 860 N CB 0.036 37.728 38.487 -1.325 0.000 1.018 860 N HN 0.290 nan 8.380 nan 0.000 0.423 861 V N 1.677 121.475 119.914 -0.194 0.000 2.295 861 V HA -0.210 3.907 4.120 -0.004 0.000 0.246 861 V C 2.663 178.715 176.094 -0.070 0.000 1.049 861 V CA 1.900 64.148 62.300 -0.088 0.000 1.024 861 V CB -1.175 30.630 31.823 -0.031 0.000 0.648 861 V HN 0.463 nan 8.190 nan 0.000 0.447 862 A N -0.210 122.560 122.820 -0.083 0.000 1.958 862 A HA -0.198 4.120 4.320 -0.004 0.000 0.221 862 A C 2.055 179.545 177.584 -0.157 0.000 1.178 862 A CA 1.999 53.945 52.037 -0.152 0.000 0.642 862 A CB -0.587 18.219 19.000 -0.324 0.000 0.816 862 A HN 0.558 nan 8.150 nan 0.000 0.453 863 L N -0.244 120.914 121.223 -0.108 0.000 2.611 863 L HA 0.076 4.413 4.340 -0.004 0.000 0.229 863 L C 0.993 177.853 176.870 -0.016 0.000 1.137 863 L CA 0.859 55.676 54.840 -0.039 0.000 0.901 863 L CB 0.014 42.104 42.059 0.051 0.000 1.098 863 L HN 0.550 nan 8.230 nan 0.000 0.456 864 T N -5.434 109.092 114.554 -0.046 0.000 3.516 864 T HA 0.241 4.588 4.350 -0.004 0.000 0.300 864 T C 1.161 175.826 174.700 -0.059 0.000 0.995 864 T CA -0.611 61.468 62.100 -0.036 0.000 0.982 864 T CB 0.189 69.049 68.868 -0.013 0.000 1.199 864 T HN -0.009 nan 8.240 nan 0.000 0.481 865 R N 1.057 121.504 120.500 -0.088 0.000 2.225 865 R HA 0.509 4.846 4.340 -0.004 0.000 0.194 865 R C 1.060 177.287 176.300 -0.122 0.000 0.957 865 R CA 0.344 56.383 56.100 -0.102 0.000 1.042 865 R CB -0.229 29.966 30.300 -0.175 0.000 1.004 865 R HN 0.531 nan 8.270 nan 0.000 0.509 866 A N 1.278 124.019 122.820 -0.132 0.000 2.327 866 A HA 0.386 4.704 4.320 -0.004 0.000 0.283 866 A C 0.875 178.337 177.584 -0.202 0.000 1.127 866 A CA -0.374 51.567 52.037 -0.160 0.000 0.810 866 A CB 0.915 19.838 19.000 -0.128 0.000 1.066 866 A HN 0.109 nan 8.150 nan 0.000 0.492 867 R N 0.667 120.988 120.500 -0.300 0.000 2.064 867 R HA 0.027 4.364 4.340 -0.004 0.000 0.221 867 R C 0.722 176.688 176.300 -0.557 0.000 1.136 867 R CA 1.639 57.455 56.100 -0.474 0.000 0.980 867 R CB -0.113 29.765 30.300 -0.703 0.000 0.876 867 R HN 0.882 nan 8.270 nan 0.000 0.437 868 Y N -1.050 118.997 120.300 -0.422 0.000 2.498 868 Y HA 0.352 4.901 4.550 -0.001 0.000 0.259 868 Y C 0.882 176.600 175.900 -0.303 0.000 1.086 868 Y CA 0.095 57.936 58.100 -0.432 0.000 1.287 868 Y CB 1.508 39.493 38.460 -0.792 0.000 1.146 868 Y HN 0.110 nan 8.280 nan 0.000 0.523 869 G N -0.243 108.490 108.800 -0.112 0.000 2.519 869 G HA2 0.439 4.396 3.960 -0.004 0.000 0.292 869 G HA3 0.439 4.396 3.960 -0.004 0.000 0.292 869 G C -2.282 172.714 174.900 0.159 0.000 1.507 869 G CA -0.408 44.742 45.100 0.084 0.000 0.806 869 G HN 0.046 nan 8.290 nan 0.000 0.523 870 V N 0.364 120.332 119.914 0.091 0.000 2.888 870 V HA 0.878 4.996 4.120 -0.004 0.000 0.309 870 V C -1.312 174.812 176.094 0.049 0.000 1.114 870 V CA -0.985 61.359 62.300 0.074 0.000 0.940 870 V CB 1.622 33.460 31.823 0.025 0.000 1.021 870 V HN 0.785 nan 8.190 nan 0.000 0.426 871 I N 6.501 127.044 120.570 -0.046 0.000 2.447 871 I HA 0.520 4.687 4.170 -0.004 0.000 0.287 871 I C -0.647 175.376 176.117 -0.157 0.000 1.023 871 I CA -0.490 60.665 61.300 -0.242 0.000 1.083 871 I CB 2.018 39.761 38.000 -0.427 0.000 1.245 871 I HN 0.540 nan 8.210 nan 0.000 0.434 872 I N 6.622 127.101 120.570 -0.150 0.000 2.359 872 I HA 0.423 4.591 4.170 -0.004 0.000 0.294 872 I C -0.563 175.252 176.117 -0.503 0.000 0.987 872 I CA -0.869 60.283 61.300 -0.246 0.000 1.225 872 I CB 1.823 39.724 38.000 -0.165 0.000 1.366 872 I HN 0.151 nan 8.210 nan 0.000 0.466 873 V N 5.142 124.841 119.914 -0.358 0.000 2.409 873 V HA 0.922 5.040 4.120 -0.004 0.000 0.291 873 V C 0.317 176.252 176.094 -0.265 0.000 1.020 873 V CA -0.234 61.905 62.300 -0.268 0.000 0.848 873 V CB 1.112 32.918 31.823 -0.029 0.000 0.990 873 V HN 1.035 nan 8.190 nan 0.000 0.430 874 G N 3.325 111.967 108.800 -0.264 0.000 2.430 874 G HA2 0.241 4.198 3.960 -0.004 0.000 0.300 874 G HA3 0.241 4.198 3.960 -0.004 0.000 0.300 874 G C -1.766 173.267 174.900 0.222 0.000 1.330 874 G CA -0.667 44.432 45.100 -0.001 0.000 0.813 874 G HN 0.482 nan 8.290 nan 0.000 0.487 875 N N 0.627 119.407 118.700 0.134 0.000 2.437 875 N HA 0.404 5.141 4.740 -0.004 0.000 0.259 875 N C -1.732 173.824 175.510 0.077 0.000 0.983 875 N CA -1.729 51.379 53.050 0.096 0.000 0.937 875 N CB 2.557 41.041 38.487 -0.004 0.000 1.122 875 N HN -0.034 nan 8.380 nan 0.000 0.499 876 P HA -0.098 nan 4.420 nan 0.000 0.215 876 P C 1.024 178.300 177.300 -0.040 0.000 1.157 876 P CA 1.423 64.473 63.100 -0.084 0.000 0.863 876 P CB 0.434 32.042 31.700 -0.152 0.000 0.787 877 K N -0.428 119.960 120.400 -0.020 0.000 2.063 877 K HA -0.133 4.184 4.320 -0.004 0.000 0.208 877 K C 2.088 178.690 176.600 0.003 0.000 1.048 877 K CA 1.749 58.031 56.287 -0.009 0.000 0.928 877 K CB -0.765 31.731 32.500 -0.008 0.000 0.713 877 K HN 0.085 nan 8.250 nan 0.000 0.442 878 A N 1.464 124.281 122.820 -0.004 0.000 1.872 878 A HA -0.075 4.242 4.320 -0.004 0.000 0.214 878 A C 2.187 179.811 177.584 0.067 0.000 1.187 878 A CA 1.026 53.075 52.037 0.021 0.000 0.614 878 A CB -0.532 18.430 19.000 -0.062 0.000 0.826 878 A HN 0.135 nan 8.150 nan 0.000 0.442 879 L N 0.647 121.857 121.223 -0.021 0.000 2.141 879 L HA -0.140 4.198 4.340 -0.004 0.000 0.209 879 L C 2.865 179.761 176.870 0.043 0.000 1.094 879 L CA 1.373 56.149 54.840 -0.107 0.000 0.763 879 L CB -0.437 41.413 42.059 -0.348 0.000 0.908 879 L HN 0.577 nan 8.230 nan 0.000 0.437 880 S N -0.798 114.936 115.700 0.057 0.000 2.469 880 S HA -0.135 4.332 4.470 -0.004 0.000 0.238 880 S C 1.864 176.524 174.600 0.099 0.000 0.998 880 S CA 0.535 58.793 58.200 0.096 0.000 0.957 880 S CB -0.261 62.965 63.200 0.044 0.000 0.764 880 S HN 0.298 nan 8.310 nan 0.000 0.514 881 K N 1.120 121.561 120.400 0.067 0.000 2.103 881 K HA 0.048 4.366 4.320 -0.004 0.000 0.207 881 K C 0.907 177.547 176.600 0.067 0.000 1.048 881 K CA 0.827 57.141 56.287 0.045 0.000 0.930 881 K CB -0.457 32.045 32.500 0.004 0.000 0.716 881 K HN 0.484 nan 8.250 nan 0.000 0.444 882 Q N 1.394 121.260 119.800 0.109 0.000 2.293 882 Q HA 0.047 4.385 4.340 -0.004 0.000 0.263 882 Q C -1.667 174.465 176.000 0.220 0.000 1.002 882 Q CA -1.473 54.434 55.803 0.174 0.000 0.910 882 Q CB 1.157 30.072 28.738 0.295 0.000 1.185 882 Q HN 0.012 nan 8.270 nan 0.000 0.401 883 P HA -0.163 nan 4.420 nan 0.000 0.220 883 P C 1.270 178.678 177.300 0.180 0.000 1.148 883 P CA 0.643 63.849 63.100 0.177 0.000 0.803 883 P CB 0.337 32.105 31.700 0.114 0.000 0.782 884 L N -1.302 119.973 121.223 0.087 0.000 2.027 884 L HA -0.009 4.328 4.340 -0.004 0.000 0.206 884 L C 2.368 179.271 176.870 0.055 0.000 1.074 884 L CA 1.769 56.595 54.840 -0.023 0.000 0.745 884 L CB -1.394 40.636 42.059 -0.047 0.000 0.898 884 L HN -0.140 nan 8.230 nan 0.000 0.433 885 W N 0.073 121.449 121.300 0.127 0.000 2.374 885 W HA -0.152 4.505 4.660 -0.005 0.000 0.288 885 W C 2.665 179.219 176.519 0.058 0.000 1.218 885 W CA 1.589 58.989 57.345 0.091 0.000 1.245 885 W CB -0.527 28.992 29.460 0.100 0.000 1.126 885 W HN 0.303 nan 8.180 nan 0.000 0.545 886 N N -0.626 118.265 118.700 0.319 0.000 2.069 886 N HA -0.240 4.497 4.740 -0.004 0.000 0.191 886 N C 1.435 177.053 175.510 0.179 0.000 1.031 886 N CA 1.791 54.967 53.050 0.210 0.000 0.852 886 N CB -0.252 38.354 38.487 0.198 0.000 1.018 886 N HN 0.204 nan 8.380 nan 0.000 0.423 887 H N 0.532 119.655 119.070 0.089 0.000 2.319 887 H HA -0.117 4.436 4.556 -0.005 0.000 0.299 887 H C 1.875 177.230 175.328 0.046 0.000 1.092 887 H CA 1.132 57.254 56.048 0.122 0.000 1.302 887 H CB -0.602 29.282 29.762 0.202 0.000 1.373 887 H HN 0.176 nan 8.280 nan 0.000 0.497 888 L N 0.432 121.650 121.223 -0.008 0.000 2.013 888 L HA -0.173 4.165 4.340 -0.004 0.000 0.212 888 L C 2.030 178.754 176.870 -0.242 0.000 1.073 888 L CA 1.575 56.099 54.840 -0.527 0.000 0.753 888 L CB -0.934 40.761 42.059 -0.606 0.000 0.890 888 L HN 0.275 nan 8.230 nan 0.000 0.432 889 L N -0.678 120.475 121.223 -0.115 0.000 2.027 889 L HA -0.200 4.138 4.340 -0.004 0.000 0.206 889 L C 2.387 179.247 176.870 -0.016 0.000 1.074 889 L CA 1.295 56.055 54.840 -0.133 0.000 0.745 889 L CB -0.809 41.155 42.059 -0.157 0.000 0.898 889 L HN 0.373 nan 8.230 nan 0.000 0.433 890 N N -0.639 118.073 118.700 0.020 0.000 2.205 890 N HA -0.251 4.487 4.740 -0.004 0.000 0.186 890 N C 1.823 177.395 175.510 0.104 0.000 1.015 890 N CA 1.515 54.588 53.050 0.038 0.000 0.862 890 N CB -0.194 38.297 38.487 0.006 0.000 0.986 890 N HN 0.341 nan 8.380 nan 0.000 0.429 891 Y N 0.721 121.041 120.300 0.033 0.000 2.153 891 Y HA -0.175 4.372 4.550 -0.005 0.000 0.289 891 Y C 1.971 177.953 175.900 0.137 0.000 1.127 891 Y CA 1.320 59.472 58.100 0.086 0.000 1.131 891 Y CB -0.616 37.897 38.460 0.089 0.000 0.995 891 Y HN -0.060 nan 8.280 nan 0.000 0.505 892 Y N 0.960 121.219 120.300 -0.068 0.000 2.256 892 Y HA -0.219 4.328 4.550 -0.005 0.000 0.288 892 Y C 2.597 178.445 175.900 -0.086 0.000 1.155 892 Y CA 1.759 59.810 58.100 -0.081 0.000 1.203 892 Y CB -0.676 37.814 38.460 0.050 0.000 0.980 892 Y HN 0.167 nan 8.280 nan 0.000 0.530 893 K N 0.413 120.862 120.400 0.081 0.000 2.025 893 K HA -0.179 4.138 4.320 -0.004 0.000 0.207 893 K C 1.929 178.509 176.600 -0.034 0.000 1.049 893 K CA 1.610 57.909 56.287 0.020 0.000 0.933 893 K CB -0.135 32.368 32.500 0.005 0.000 0.714 893 K HN 0.290 nan 8.250 nan 0.000 0.438 894 E N 0.084 120.245 120.200 -0.065 0.000 2.160 894 E HA -0.186 4.161 4.350 -0.004 0.000 0.195 894 E C 1.785 178.293 176.600 -0.154 0.000 0.991 894 E CA 0.908 57.252 56.400 -0.094 0.000 0.810 894 E CB 0.139 29.793 29.700 -0.077 0.000 0.742 894 E HN 0.353 nan 8.360 nan 0.000 0.466 895 Q N 0.152 119.792 119.800 -0.266 0.000 2.444 895 Q HA -0.002 4.335 4.340 -0.004 0.000 0.206 895 Q C 0.060 175.979 176.000 -0.134 0.000 0.948 895 Q CA 0.316 55.959 55.803 -0.267 0.000 0.946 895 Q CB 0.213 28.669 28.738 -0.469 0.000 1.027 895 Q HN 0.249 nan 8.270 nan 0.000 0.513 896 K N -0.882 119.473 120.400 -0.076 0.000 3.230 896 K HA -0.135 4.182 4.320 -0.004 0.000 0.285 896 K C 0.239 176.849 176.600 0.018 0.000 1.196 896 K CA 0.532 56.807 56.287 -0.020 0.000 0.838 896 K CB -2.040 30.448 32.500 -0.020 0.000 1.262 896 K HN 0.042 nan 8.250 nan 0.000 0.492 897 V N 0.916 120.855 119.914 0.042 0.000 3.159 897 V HA 0.140 4.258 4.120 -0.004 0.000 0.333 897 V C -0.546 175.740 176.094 0.320 0.000 1.424 897 V CA -0.341 62.042 62.300 0.138 0.000 1.125 897 V CB 0.586 32.432 31.823 0.038 0.000 1.075 897 V HN 0.296 nan 8.190 nan 0.000 0.482 898 L N 2.714 124.090 121.223 0.256 0.000 2.261 898 L HA 0.630 4.968 4.340 -0.004 0.000 0.289 898 L C -0.243 176.748 176.870 0.202 0.000 1.059 898 L CA 0.184 55.200 54.840 0.292 0.000 0.816 898 L CB 1.086 43.226 42.059 0.136 0.000 1.191 898 L HN 0.131 nan 8.230 nan 0.000 0.431 899 V N 1.742 121.808 119.914 0.254 0.000 3.155 899 V HA 0.786 4.904 4.120 -0.004 0.000 0.313 899 V C -0.447 175.649 176.094 0.003 0.000 1.162 899 V CA -0.719 61.645 62.300 0.107 0.000 1.048 899 V CB 1.992 33.838 31.823 0.039 0.000 1.092 899 V HN 0.801 nan 8.190 nan 0.000 0.447 900 E N -0.661 119.497 120.200 -0.070 0.000 2.460 900 E HA 0.647 4.995 4.350 -0.004 0.000 0.277 900 E C -0.146 176.408 176.600 -0.077 0.000 1.010 900 E CA -0.284 56.007 56.400 -0.182 0.000 0.838 900 E CB 2.169 31.810 29.700 -0.098 0.000 1.448 900 E HN 1.738 nan 8.360 nan 0.000 0.462 901 G N 1.123 109.886 108.800 -0.061 0.000 2.750 901 G HA2 -0.171 3.787 3.960 -0.004 0.000 0.228 901 G HA3 -0.171 3.787 3.960 -0.004 0.000 0.228 901 G C -2.635 172.374 174.900 0.181 0.000 1.367 901 G CA -0.604 44.524 45.100 0.048 0.000 0.871 901 G HN 0.395 nan 8.290 nan 0.000 0.560 902 P HA 0.308 nan 4.420 nan 0.000 0.271 902 P C 1.407 178.767 177.300 0.100 0.000 1.218 902 P CA -0.367 62.810 63.100 0.128 0.000 0.780 902 P CB 0.634 32.368 31.700 0.056 0.000 0.901 903 L N 1.733 122.989 121.223 0.055 0.000 2.081 903 L HA -0.264 4.073 4.340 -0.004 0.000 0.212 903 L C 2.100 178.914 176.870 -0.095 0.000 1.080 903 L CA 1.796 56.617 54.840 -0.032 0.000 0.754 903 L CB -0.943 41.064 42.059 -0.086 0.000 0.893 903 L HN 0.373 nan 8.230 nan 0.000 0.433 904 N N -0.411 118.243 118.700 -0.077 0.000 2.223 904 N HA -0.167 4.570 4.740 -0.004 0.000 0.185 904 N C 1.021 176.479 175.510 -0.086 0.000 1.016 904 N CA 1.060 54.051 53.050 -0.098 0.000 0.863 904 N CB -0.320 38.126 38.487 -0.069 0.000 0.983 904 N HN 0.238 nan 8.380 nan 0.000 0.429 905 N N 0.044 118.713 118.700 -0.051 0.000 2.610 905 N HA 0.190 4.927 4.740 -0.004 0.000 0.307 905 N C -1.299 174.193 175.510 -0.030 0.000 1.813 905 N CA -0.169 52.856 53.050 -0.041 0.000 0.901 905 N CB -0.074 38.398 38.487 -0.024 0.000 1.354 905 N HN 0.001 nan 8.380 nan 0.000 0.491 906 L N 1.813 123.007 121.223 -0.049 0.000 2.513 906 L HA 0.176 4.513 4.340 -0.004 0.000 0.272 906 L C 1.139 177.982 176.870 -0.044 0.000 1.187 906 L CA 0.198 55.014 54.840 -0.039 0.000 0.895 906 L CB 0.305 42.293 42.059 -0.118 0.000 1.147 906 L HN 0.304 nan 8.230 nan 0.000 0.483 907 R N 2.520 123.006 120.500 -0.024 0.000 2.939 907 R HA 0.560 4.897 4.340 -0.004 0.000 0.254 907 R C -0.751 175.543 176.300 -0.011 0.000 1.123 907 R CA -1.011 55.077 56.100 -0.020 0.000 1.020 907 R CB 1.228 31.519 30.300 -0.015 0.000 1.206 907 R HN 0.420 nan 8.270 nan 0.000 0.491 908 E N 0.520 120.717 120.200 -0.004 0.000 2.392 908 E HA 0.074 4.422 4.350 -0.004 0.000 0.259 908 E C -0.804 175.798 176.600 0.004 0.000 1.108 908 E CA -0.161 56.244 56.400 0.008 0.000 0.916 908 E CB 1.278 30.982 29.700 0.006 0.000 0.989 908 E HN 0.410 nan 8.360 nan 0.000 0.432 909 S N 1.784 117.491 115.700 0.011 0.000 2.438 909 S HA 0.238 4.705 4.470 -0.004 0.000 0.316 909 S C 0.398 174.994 174.600 -0.006 0.000 1.084 909 S CA -0.646 57.554 58.200 -0.001 0.000 1.107 909 S CB 0.213 63.415 63.200 0.004 0.000 0.981 909 S HN 0.404 nan 8.310 nan 0.000 0.466 910 L N 5.012 126.229 121.223 -0.009 0.000 2.672 910 L HA 0.214 4.552 4.340 -0.004 0.000 0.236 910 L C 1.282 178.145 176.870 -0.012 0.000 1.186 910 L CA -0.108 54.727 54.840 -0.010 0.000 0.977 910 L CB -0.511 41.543 42.059 -0.009 0.000 1.203 910 L HN 0.568 nan 8.230 nan 0.000 0.448 911 M N 0.000 119.590 119.600 -0.017 0.000 2.572 911 M HA 0.000 4.477 4.480 -0.004 0.000 0.227 911 M CA 0.000 55.288 55.300 -0.020 0.000 0.988 911 M CB 0.000 32.582 32.600 -0.030 0.000 1.302 911 M HN 0.000 nan 8.290 nan 0.000 0.411