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 2wjy_1_A DATA FIRST_RESID 116 DATA SEQUENCE KDLPIHACSY CGIHDPACVV YCNTSKKWFC NGRGNTSGSH IVNHLVRAKC DATA SEQUENCE KEVTLHKDGP LGETVLECYN CGCRNVFLLG FIPXXXXXVV VLLCRQPCAS DATA SEQUENCE QSSXXXXXXX XXXWQPLIQD RCFLSWLVKI PSEQEQLRAR QITAQQINKL DATA SEQUENCE EELWKENPSA TLEDXXXXXX XXEPQHVLLR YEDAYQYQNI FGPLVKLEAD DATA SEQUENCE YDKKLKESQT QDNITVRWDL GLNKKRIAYF TLPKTDSXXR LMQGDEICLR DATA SEQUENCE YKGDLAPLWK GIGHVIKVPD NYGDEIAIEL RSSVGAPVEV 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 LRESLMQF 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 0.000 176.573 176.600 -0.046 0.000 0.988 116 K CA 0.000 56.268 56.287 -0.031 0.000 0.838 116 K CB 0.000 32.478 32.500 -0.037 0.000 1.064 117 D N 1.447 121.815 120.400 -0.052 0.000 2.274 117 D HA 0.202 4.842 4.640 -0.001 0.000 0.256 117 D C 0.077 176.305 176.300 -0.119 0.000 1.274 117 D CA -0.124 53.839 54.000 -0.062 0.000 0.998 117 D CB 0.401 41.170 40.800 -0.051 0.000 1.139 117 D HN 0.397 nan 8.370 nan 0.000 0.540 118 L N 0.827 121.969 121.223 -0.135 0.000 2.452 118 L HA 0.264 4.603 4.340 -0.001 0.000 0.267 118 L C -1.826 174.857 176.870 -0.311 0.000 1.188 118 L CA -1.499 53.190 54.840 -0.251 0.000 0.821 118 L CB 0.015 41.959 42.059 -0.192 0.000 1.102 118 L HN 0.241 nan 8.230 nan 0.000 0.470 119 P HA -0.026 nan 4.420 nan 0.000 0.269 119 P C 0.803 177.753 177.300 -0.582 0.000 1.211 119 P CA -0.019 62.740 63.100 -0.567 0.000 0.781 119 P CB 0.592 31.751 31.700 -0.902 0.000 0.877 120 I N 1.326 121.591 120.570 -0.508 0.000 2.614 120 I HA -0.238 3.931 4.170 -0.001 0.000 0.258 120 I C 1.341 177.137 176.117 -0.535 0.000 1.189 120 I CA 1.188 62.278 61.300 -0.350 0.000 1.462 120 I CB -0.189 37.710 38.000 -0.170 0.000 1.092 120 I HN 0.449 nan 8.210 nan 0.000 0.442 121 H N -0.316 118.330 119.070 -0.707 0.000 2.524 121 H HA 0.515 5.070 4.556 -0.001 0.000 0.280 121 H C 0.709 175.670 175.328 -0.611 0.000 1.018 121 H CA 0.023 55.271 56.048 -1.332 0.000 1.165 121 H CB -0.749 28.095 29.762 -1.530 0.000 1.411 121 H HN 0.193 nan 8.280 nan 0.000 0.569 122 A N 1.031 123.610 122.820 -0.401 0.000 2.520 122 A HA 0.136 4.456 4.320 -0.001 0.000 0.245 122 A C 0.548 178.077 177.584 -0.092 0.000 1.072 122 A CA -0.230 51.711 52.037 -0.161 0.000 0.761 122 A CB -0.565 18.326 19.000 -0.182 0.000 1.004 122 A HN 0.788 nan 8.150 nan 0.000 0.499 123 C N 3.562 122.851 119.300 -0.018 0.000 2.517 123 C HA 0.136 4.595 4.460 -0.001 0.000 0.403 123 C C 1.696 176.586 174.990 -0.166 0.000 1.467 123 C CA 0.405 59.385 59.018 -0.063 0.000 1.542 123 C CB -1.384 26.425 27.740 0.115 0.000 2.482 123 C HN 0.851 nan 8.230 nan 0.000 0.610 124 S N 3.761 119.179 115.700 -0.470 0.000 2.507 124 S HA -0.057 4.412 4.470 -0.001 0.000 0.235 124 S C 1.111 175.767 174.600 0.094 0.000 0.988 124 S CA 1.188 59.221 58.200 -0.278 0.000 0.944 124 S CB -0.166 62.700 63.200 -0.556 0.000 0.762 124 S HN 0.947 nan 8.310 nan 0.000 0.526 125 Y N 0.154 120.483 120.300 0.049 0.000 2.190 125 Y HA -0.060 4.490 4.550 -0.000 0.000 0.290 125 Y C 2.870 178.671 175.900 -0.165 0.000 1.115 125 Y CA 0.804 58.875 58.100 -0.049 0.000 1.107 125 Y CB -0.132 38.178 38.460 -0.250 0.000 1.033 125 Y HN 0.504 nan 8.280 nan 0.000 0.502 126 C N -1.762 117.551 119.300 0.021 0.000 3.188 126 C HA 0.714 5.173 4.460 -0.001 0.000 0.315 126 C C 1.705 176.682 174.990 -0.020 0.000 1.285 126 C CA 0.304 59.316 59.018 -0.011 0.000 1.729 126 C CB 0.392 28.212 27.740 0.134 0.000 2.257 126 C HN 0.819 nan 8.230 nan 0.000 0.645 127 G N 1.492 110.303 108.800 0.018 0.000 2.238 127 G HA2 -0.166 3.794 3.960 -0.001 0.000 0.217 127 G HA3 -0.166 3.794 3.960 -0.001 0.000 0.217 127 G C -0.066 174.913 174.900 0.130 0.000 0.996 127 G CA 0.065 45.194 45.100 0.047 0.000 0.632 127 G HN 0.620 nan 8.290 nan 0.000 0.503 128 I N 1.992 122.653 120.570 0.152 0.000 2.919 128 I HA 0.205 4.374 4.170 -0.001 0.000 0.303 128 I C 1.317 177.531 176.117 0.161 0.000 1.221 128 I CA 1.592 62.984 61.300 0.154 0.000 1.444 128 I CB 0.418 38.494 38.000 0.126 0.000 1.331 128 I HN 0.590 nan 8.210 nan 0.000 0.572 129 H N 1.581 120.651 119.070 0.000 0.000 2.904 129 H HA 0.263 4.818 4.556 -0.001 0.000 0.242 129 H C -0.495 174.836 175.328 0.003 0.000 1.193 129 H CA -0.812 55.238 56.048 0.003 0.000 0.946 129 H CB -0.121 29.594 29.762 -0.079 0.000 2.135 129 H HN 0.474 nan 8.280 nan 0.000 0.652 130 D N 2.439 122.674 120.400 -0.275 0.000 2.339 130 D HA 0.065 4.704 4.640 -0.001 0.000 0.256 130 D C -1.375 174.770 176.300 -0.259 0.000 1.214 130 D CA -2.375 51.464 54.000 -0.269 0.000 0.877 130 D CB 1.524 42.211 40.800 -0.188 0.000 1.111 130 D HN 0.165 nan 8.370 nan 0.000 0.478 131 P HA -0.142 nan 4.420 nan 0.000 0.218 131 P C 0.831 177.976 177.300 -0.257 0.000 1.146 131 P CA 1.352 64.073 63.100 -0.632 0.000 0.820 131 P CB 0.196 31.451 31.700 -0.741 0.000 0.778 132 A N -1.884 120.851 122.820 -0.142 0.000 2.119 132 A HA -0.109 4.211 4.320 -0.001 0.000 0.217 132 A C 1.863 179.432 177.584 -0.026 0.000 1.153 132 A CA 1.179 53.187 52.037 -0.049 0.000 0.692 132 A CB -1.224 17.757 19.000 -0.032 0.000 0.799 132 A HN 0.261 nan 8.150 nan 0.000 0.458 133 C N -0.594 118.683 119.300 -0.039 0.000 3.038 133 C HA 0.408 4.867 4.460 -0.001 0.000 0.279 133 C C 0.748 175.757 174.990 0.032 0.000 1.276 133 C CA -0.094 58.922 59.018 -0.003 0.000 1.697 133 C CB -1.335 26.405 27.740 -0.001 0.000 2.032 133 C HN 0.452 nan 8.230 nan 0.000 0.636 134 V N -1.034 118.911 119.914 0.052 0.000 2.769 134 V HA 0.904 5.023 4.120 -0.001 0.000 0.312 134 V C -0.702 175.542 176.094 0.251 0.000 1.058 134 V CA -0.437 61.974 62.300 0.185 0.000 0.952 134 V CB 1.654 33.608 31.823 0.218 0.000 1.019 134 V HN -0.107 nan 8.190 nan 0.000 0.445 135 V N 3.513 123.582 119.914 0.258 0.000 2.623 135 V HA 0.353 4.473 4.120 -0.001 0.000 0.304 135 V C -1.287 174.809 176.094 0.004 0.000 1.054 135 V CA -0.494 61.829 62.300 0.039 0.000 0.882 135 V CB 1.716 33.383 31.823 -0.260 0.000 1.002 135 V HN 0.915 nan 8.190 nan 0.000 0.424 136 Y N 4.827 124.793 120.300 -0.557 0.000 2.350 136 Y HA 0.466 5.016 4.550 -0.001 0.000 0.340 136 Y C 0.246 175.871 175.900 -0.457 0.000 1.006 136 Y CA -1.048 56.443 58.100 -1.016 0.000 1.166 136 Y CB 1.107 38.479 38.460 -1.812 0.000 1.168 136 Y HN 0.750 nan 8.280 nan 0.000 0.502 137 C N 8.630 127.631 119.300 -0.499 0.000 2.322 137 C HA 0.241 4.700 4.460 -0.001 0.000 0.343 137 C C 1.262 175.947 174.990 -0.509 0.000 1.190 137 C CA -0.728 58.106 59.018 -0.307 0.000 1.704 137 C CB -1.434 26.328 27.740 0.037 0.000 2.293 137 C HN 0.991 nan 8.230 nan 0.000 0.523 138 N N 2.895 121.330 118.700 -0.441 0.000 2.137 138 N HA -0.130 4.610 4.740 -0.001 0.000 0.190 138 N C 1.757 177.107 175.510 -0.267 0.000 1.017 138 N CA 2.207 55.011 53.050 -0.410 0.000 0.859 138 N CB -0.247 38.103 38.487 -0.228 0.000 1.002 138 N HN 0.829 nan 8.380 nan 0.000 0.428 139 T N -0.784 113.676 114.554 -0.155 0.000 2.851 139 T HA 0.036 4.386 4.350 -0.001 0.000 0.262 139 T C 2.046 176.700 174.700 -0.078 0.000 1.043 139 T CA 1.032 63.080 62.100 -0.086 0.000 1.140 139 T CB -0.247 68.599 68.868 -0.037 0.000 0.872 139 T HN 0.112 nan 8.240 nan 0.000 0.446 140 S N 0.849 116.516 115.700 -0.056 0.000 2.496 140 S HA 0.136 4.606 4.470 -0.001 0.000 0.224 140 S C 0.639 175.163 174.600 -0.127 0.000 0.996 140 S CA -0.048 58.137 58.200 -0.026 0.000 0.927 140 S CB -0.187 63.108 63.200 0.159 0.000 0.774 140 S HN 0.493 nan 8.310 nan 0.000 0.524 141 K N 0.584 120.835 120.400 -0.248 0.000 3.096 141 K HA -0.178 4.142 4.320 -0.001 0.000 0.266 141 K C -0.750 175.813 176.600 -0.061 0.000 1.043 141 K CA 0.748 56.887 56.287 -0.247 0.000 0.758 141 K CB -1.287 31.177 32.500 -0.059 0.000 1.260 141 K HN 0.385 nan 8.250 nan 0.000 0.481 142 K N -0.570 119.718 120.400 -0.186 0.000 2.443 142 K HA 0.491 4.810 4.320 -0.001 0.000 0.251 142 K C -0.833 175.619 176.600 -0.247 0.000 0.972 142 K CA -0.876 55.303 56.287 -0.180 0.000 0.833 142 K CB 1.160 33.417 32.500 -0.404 0.000 1.317 142 K HN 0.013 nan 8.250 nan 0.000 0.441 143 W N 1.158 122.243 121.300 -0.357 0.000 2.512 143 W HA 0.537 5.197 4.660 -0.001 0.000 0.335 143 W C -0.543 175.500 176.519 -0.793 0.000 1.088 143 W CA -0.179 57.005 57.345 -0.268 0.000 1.236 143 W CB 0.728 30.124 29.460 -0.108 0.000 1.307 143 W HN 0.319 nan 8.180 nan 0.000 0.567 144 F N 1.399 121.438 119.950 0.148 0.000 2.613 144 F HA 0.459 4.986 4.527 -0.001 0.000 0.310 144 F C 0.123 176.010 175.800 0.144 0.000 1.085 144 F CA -1.292 56.739 58.000 0.051 0.000 0.945 144 F CB 0.945 39.888 39.000 -0.095 0.000 1.298 144 F HN 0.417 nan 8.300 nan 0.000 0.455 145 C N -0.207 119.326 119.300 0.387 0.000 2.351 145 C HA 0.544 5.003 4.460 -0.001 0.000 0.359 145 C C 0.854 175.981 174.990 0.230 0.000 1.193 145 C CA -0.631 58.550 59.018 0.272 0.000 2.270 145 C CB 1.178 29.074 27.740 0.261 0.000 2.369 145 C HN 0.943 nan 8.230 nan 0.000 0.553 146 N N -0.001 118.775 118.700 0.126 0.000 2.362 146 N HA 0.260 5.000 4.740 -0.001 0.000 0.204 146 N C 0.452 175.995 175.510 0.054 0.000 1.166 146 N CA 0.330 53.439 53.050 0.099 0.000 0.831 146 N CB -0.118 38.407 38.487 0.063 0.000 1.008 146 N HN 1.028 nan 8.380 nan 0.000 0.472 147 G N -0.438 108.371 108.800 0.015 0.000 2.410 147 G HA2 0.253 4.212 3.960 -0.001 0.000 0.330 147 G HA3 0.253 4.212 3.960 -0.001 0.000 0.330 147 G C 0.763 175.500 174.900 -0.271 0.000 1.142 147 G CA -0.660 44.400 45.100 -0.067 0.000 0.902 147 G HN 0.424 nan 8.290 nan 0.000 0.491 148 R N 0.986 121.367 120.500 -0.199 0.000 2.223 148 R HA 0.276 4.615 4.340 -0.001 0.000 0.198 148 R C 1.516 177.688 176.300 -0.214 0.000 0.984 148 R CA 0.859 56.820 56.100 -0.232 0.000 1.018 148 R CB -0.489 29.764 30.300 -0.077 0.000 0.945 148 R HN 1.033 nan 8.270 nan 0.000 0.479 149 G N 2.099 110.832 108.800 -0.110 0.000 2.665 149 G HA2 -0.477 3.482 3.960 -0.001 0.000 0.326 149 G HA3 -0.477 3.482 3.960 -0.001 0.000 0.326 149 G C 0.433 175.362 174.900 0.048 0.000 1.231 149 G CA 0.953 46.075 45.100 0.036 0.000 0.992 149 G HN 0.483 nan 8.290 nan 0.000 0.549 150 N N 1.276 120.029 118.700 0.088 0.000 2.467 150 N HA 0.285 5.024 4.740 -0.001 0.000 0.184 150 N C 0.964 176.497 175.510 0.037 0.000 1.106 150 N CA 1.356 54.439 53.050 0.056 0.000 0.892 150 N CB 0.241 38.761 38.487 0.056 0.000 0.969 150 N HN 0.881 nan 8.380 nan 0.000 0.454 151 T N -2.715 111.864 114.554 0.042 0.000 2.949 151 T HA 0.413 4.762 4.350 -0.001 0.000 0.287 151 T C 0.136 174.844 174.700 0.014 0.000 1.034 151 T CA -0.990 61.127 62.100 0.029 0.000 1.018 151 T CB 1.586 70.482 68.868 0.048 0.000 1.135 151 T HN -0.028 nan 8.240 nan 0.000 0.532 152 S N -0.073 115.636 115.700 0.015 0.000 3.489 152 S HA 0.655 5.124 4.470 -0.001 0.000 0.227 152 S C 0.446 175.058 174.600 0.020 0.000 1.360 152 S CA -0.288 57.919 58.200 0.013 0.000 0.934 152 S CB -0.782 62.425 63.200 0.011 0.000 1.410 152 S HN 1.773 nan 8.310 nan 0.000 0.483 153 G N 1.371 110.181 108.800 0.017 0.000 2.307 153 G HA2 0.299 4.258 3.960 -0.001 0.000 0.348 153 G HA3 0.299 4.258 3.960 -0.001 0.000 0.348 153 G C -0.454 174.464 174.900 0.030 0.000 1.603 153 G CA -0.466 44.654 45.100 0.033 0.000 0.961 153 G HN 1.177 nan 8.290 nan 0.000 0.686 154 S N -0.057 115.674 115.700 0.050 0.000 2.598 154 S HA 0.292 4.762 4.470 -0.001 0.000 0.256 154 S C 1.101 175.802 174.600 0.168 0.000 1.350 154 S CA 0.778 59.005 58.200 0.045 0.000 0.984 154 S CB 0.703 63.975 63.200 0.120 0.000 0.930 154 S HN 0.756 nan 8.310 nan 0.000 0.577 155 H N -0.052 119.181 119.070 0.271 0.000 2.448 155 H HA 0.076 4.632 4.556 -0.001 0.000 0.292 155 H C 1.680 177.203 175.328 0.324 0.000 1.035 155 H CA 1.222 57.526 56.048 0.428 0.000 1.349 155 H CB -0.198 29.903 29.762 0.564 0.000 1.425 155 H HN 0.512 nan 8.280 nan 0.000 0.539 156 I N -0.072 120.711 120.570 0.355 0.000 2.163 156 I HA -0.203 3.966 4.170 -0.001 0.000 0.240 156 I C 2.311 178.562 176.117 0.225 0.000 1.081 156 I CA 0.747 62.175 61.300 0.213 0.000 1.353 156 I CB -0.758 37.405 38.000 0.271 0.000 1.054 156 I HN 0.009 nan 8.210 nan 0.000 0.407 157 V N 1.523 121.594 119.914 0.261 0.000 2.287 157 V HA -0.320 3.800 4.120 -0.001 0.000 0.248 157 V C 2.502 178.726 176.094 0.218 0.000 1.053 157 V CA 2.423 64.854 62.300 0.219 0.000 1.027 157 V CB -1.001 30.919 31.823 0.160 0.000 0.646 157 V HN 0.527 nan 8.190 nan 0.000 0.447 158 N N -0.140 118.696 118.700 0.226 0.000 2.104 158 N HA -0.226 4.513 4.740 -0.001 0.000 0.190 158 N C 1.830 177.459 175.510 0.198 0.000 1.024 158 N CA 2.249 55.422 53.050 0.205 0.000 0.853 158 N CB -0.356 38.275 38.487 0.240 0.000 1.008 158 N HN 0.762 nan 8.380 nan 0.000 0.424 159 H N 0.077 119.204 119.070 0.095 0.000 2.276 159 H HA 0.080 4.636 4.556 -0.001 0.000 0.301 159 H C 2.152 177.456 175.328 -0.041 0.000 1.073 159 H CA 1.849 57.845 56.048 -0.086 0.000 1.311 159 H CB -0.498 28.781 29.762 -0.804 0.000 1.379 159 H HN 0.148 nan 8.280 nan 0.000 0.494 160 L N -0.149 121.043 121.223 -0.053 0.000 2.021 160 L HA -0.250 4.089 4.340 -0.001 0.000 0.215 160 L C 2.605 179.486 176.870 0.019 0.000 1.074 160 L CA 1.433 56.284 54.840 0.018 0.000 0.760 160 L CB -0.684 41.536 42.059 0.269 0.000 0.889 160 L HN 0.244 nan 8.230 nan 0.000 0.433 161 V N -0.329 119.627 119.914 0.070 0.000 2.233 161 V HA -0.341 3.779 4.120 -0.001 0.000 0.247 161 V C 2.631 178.687 176.094 -0.064 0.000 1.050 161 V CA 2.238 64.527 62.300 -0.017 0.000 1.010 161 V CB -0.597 31.230 31.823 0.007 0.000 0.637 161 V HN 0.399 nan 8.190 nan 0.000 0.444 162 R N -0.464 120.000 120.500 -0.060 0.000 2.093 162 R HA 0.065 4.405 4.340 -0.001 0.000 0.224 162 R C 2.103 178.358 176.300 -0.076 0.000 1.101 162 R CA 1.105 57.175 56.100 -0.049 0.000 0.979 162 R CB -0.332 29.967 30.300 -0.002 0.000 0.877 162 R HN 0.512 nan 8.270 nan 0.000 0.441 163 A N 0.395 123.101 122.820 -0.191 0.000 2.208 163 A HA 0.040 4.360 4.320 -0.001 0.000 0.209 163 A C 0.129 177.633 177.584 -0.134 0.000 1.161 163 A CA 0.350 52.273 52.037 -0.189 0.000 0.782 163 A CB -0.020 18.716 19.000 -0.440 0.000 0.816 163 A HN 0.337 nan 8.150 nan 0.000 0.477 164 K N -1.476 118.852 120.400 -0.118 0.000 3.239 164 K HA -0.151 4.169 4.320 -0.001 0.000 0.270 164 K C -0.765 175.814 176.600 -0.035 0.000 1.083 164 K CA 0.429 56.676 56.287 -0.068 0.000 0.782 164 K CB -2.555 29.914 32.500 -0.050 0.000 1.290 164 K HN 0.585 nan 8.250 nan 0.000 0.474 165 C N -0.747 118.548 119.300 -0.008 0.000 2.973 165 C HA 0.548 5.007 4.460 -0.001 0.000 0.329 165 C C 1.080 176.166 174.990 0.160 0.000 1.327 165 C CA -0.769 58.273 59.018 0.040 0.000 1.632 165 C CB 2.040 29.783 27.740 0.006 0.000 2.098 165 C HN 0.646 nan 8.230 nan 0.000 0.469 166 K N -0.792 119.682 120.400 0.123 0.000 2.563 166 K HA 0.142 4.462 4.320 -0.001 0.000 0.189 166 K C -0.294 176.336 176.600 0.049 0.000 1.803 166 K CA -0.141 56.233 56.287 0.145 0.000 1.139 166 K CB 0.400 33.005 32.500 0.174 0.000 1.648 166 K HN 0.579 nan 8.250 nan 0.000 0.583 167 E N 1.890 122.103 120.200 0.021 0.000 2.249 167 E HA 0.452 4.802 4.350 -0.001 0.000 0.280 167 E C -1.078 175.496 176.600 -0.044 0.000 1.016 167 E CA -0.636 55.756 56.400 -0.014 0.000 0.830 167 E CB 2.348 32.028 29.700 -0.033 0.000 1.081 167 E HN -0.189 nan 8.360 nan 0.000 0.395 168 V N 2.459 122.350 119.914 -0.040 0.000 2.808 168 V HA 0.317 4.437 4.120 -0.001 0.000 0.308 168 V C -0.741 175.320 176.094 -0.055 0.000 1.099 168 V CA -0.603 61.663 62.300 -0.057 0.000 0.920 168 V CB 2.625 34.460 31.823 0.020 0.000 1.014 168 V HN 0.725 nan 8.190 nan 0.000 0.425 169 T N 5.462 119.969 114.554 -0.078 0.000 2.841 169 T HA 0.670 5.019 4.350 -0.001 0.000 0.283 169 T C -0.392 174.306 174.700 -0.004 0.000 1.000 169 T CA -0.471 61.623 62.100 -0.009 0.000 0.977 169 T CB 1.507 70.413 68.868 0.064 0.000 0.979 169 T HN 0.347 nan 8.240 nan 0.000 0.446 170 L N 1.783 123.034 121.223 0.047 0.000 2.454 170 L HA 0.409 4.748 4.340 -0.001 0.000 0.256 170 L C 0.923 177.928 176.870 0.225 0.000 1.136 170 L CA -1.118 53.790 54.840 0.114 0.000 0.804 170 L CB 0.587 42.695 42.059 0.082 0.000 1.181 170 L HN 0.638 nan 8.230 nan 0.000 0.469 171 H N 1.734 120.939 119.070 0.225 0.000 2.629 171 H HA 0.004 4.559 4.556 -0.001 0.000 0.357 171 H C 0.638 176.011 175.328 0.075 0.000 1.121 171 H CA 0.143 56.325 56.048 0.223 0.000 1.406 171 H CB 1.368 31.169 29.762 0.066 0.000 1.456 171 H HN 0.577 nan 8.280 nan 0.000 0.579 172 K N 2.937 122.995 120.400 -0.570 0.000 2.049 172 K HA -0.227 4.093 4.320 -0.001 0.000 0.219 172 K C 0.354 176.873 176.600 -0.135 0.000 1.056 172 K CA 2.262 58.319 56.287 -0.383 0.000 0.946 172 K CB -0.068 32.122 32.500 -0.517 0.000 0.723 172 K HN 0.651 nan 8.250 nan 0.000 0.453 173 D N 0.663 121.079 120.400 0.028 0.000 2.400 173 D HA 0.075 4.714 4.640 -0.001 0.000 0.243 173 D C 0.266 176.642 176.300 0.128 0.000 1.184 173 D CA 0.326 54.405 54.000 0.131 0.000 0.853 173 D CB 0.117 41.006 40.800 0.148 0.000 0.944 173 D HN 0.364 nan 8.370 nan 0.000 0.501 174 G N 1.018 109.894 108.800 0.125 0.000 2.477 174 G HA2 0.279 4.239 3.960 -0.001 0.000 0.304 174 G HA3 0.279 4.239 3.960 -0.001 0.000 0.304 174 G C -1.573 173.370 174.900 0.072 0.000 1.175 174 G CA -1.096 44.063 45.100 0.098 0.000 0.907 174 G HN -0.157 nan 8.290 nan 0.000 0.509 175 P HA -0.137 nan 4.420 nan 0.000 0.219 175 P C 1.356 178.706 177.300 0.082 0.000 1.145 175 P CA 0.942 64.088 63.100 0.075 0.000 0.813 175 P CB 0.198 31.956 31.700 0.096 0.000 0.771 176 L N -4.419 116.857 121.223 0.088 0.000 2.878 176 L HA 0.455 4.794 4.340 -0.001 0.000 0.253 176 L C 0.750 177.664 176.870 0.074 0.000 1.135 176 L CA 0.568 55.464 54.840 0.094 0.000 0.943 176 L CB 0.402 42.535 42.059 0.124 0.000 1.307 176 L HN 0.130 nan 8.230 nan 0.000 0.545 177 G N 1.059 109.896 108.800 0.062 0.000 2.660 177 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.247 177 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.247 177 G C -0.546 174.376 174.900 0.036 0.000 1.328 177 G CA -0.037 45.085 45.100 0.038 0.000 0.884 177 G HN 0.288 nan 8.290 nan 0.000 0.531 178 E N 0.868 121.073 120.200 0.009 0.000 1.814 178 E HA 0.497 4.846 4.350 -0.001 0.000 0.264 178 E C -0.178 176.441 176.600 0.031 0.000 1.179 178 E CA 0.246 56.654 56.400 0.013 0.000 0.972 178 E CB -0.241 29.445 29.700 -0.024 0.000 1.077 178 E HN 0.564 nan 8.360 nan 0.000 0.417 179 T N 1.776 116.358 114.554 0.047 0.000 2.912 179 T HA 0.251 4.600 4.350 -0.001 0.000 0.299 179 T C -0.363 174.361 174.700 0.040 0.000 1.052 179 T CA -0.753 61.374 62.100 0.045 0.000 0.996 179 T CB 1.654 70.558 68.868 0.059 0.000 1.070 179 T HN 0.057 nan 8.240 nan 0.000 0.465 180 V N 3.764 123.694 119.914 0.027 0.000 2.470 180 V HA 0.164 4.283 4.120 -0.001 0.000 0.276 180 V C 0.510 176.615 176.094 0.019 0.000 1.040 180 V CA -0.531 61.777 62.300 0.014 0.000 1.008 180 V CB 0.084 31.908 31.823 0.001 0.000 0.990 180 V HN 0.707 nan 8.190 nan 0.000 0.477 181 L N 6.919 128.155 121.223 0.022 0.000 2.477 181 L HA 0.330 4.670 4.340 -0.001 0.000 0.272 181 L C 0.478 177.352 176.870 0.007 0.000 1.157 181 L CA 0.483 55.337 54.840 0.025 0.000 0.889 181 L CB -0.006 42.078 42.059 0.042 0.000 1.158 181 L HN 0.868 nan 8.230 nan 0.000 0.473 182 E N 2.343 122.545 120.200 0.004 0.000 2.407 182 E HA 0.229 4.579 4.350 -0.001 0.000 0.279 182 E C -1.344 175.263 176.600 0.012 0.000 1.012 182 E CA -1.071 55.327 56.400 -0.003 0.000 0.800 182 E CB 1.308 30.998 29.700 -0.017 0.000 1.276 182 E HN 0.448 nan 8.360 nan 0.000 0.452 183 C N 2.475 121.785 119.300 0.018 0.000 2.648 183 C HA 0.146 4.606 4.460 -0.001 0.000 0.419 183 C C 1.154 176.192 174.990 0.079 0.000 1.352 183 C CA -0.189 58.863 59.018 0.056 0.000 1.816 183 C CB -1.212 26.559 27.740 0.053 0.000 2.598 183 C HN 0.850 nan 8.230 nan 0.000 0.598 184 Y N 3.816 124.130 120.300 0.023 0.000 2.333 184 Y HA -0.085 4.464 4.550 -0.001 0.000 0.290 184 Y C 2.400 178.318 175.900 0.032 0.000 1.144 184 Y CA 2.215 60.335 58.100 0.034 0.000 1.228 184 Y CB -0.180 38.310 38.460 0.050 0.000 0.985 184 Y HN 0.849 nan 8.280 nan 0.000 0.542 185 N N -0.342 118.461 118.700 0.172 0.000 2.092 185 N HA -0.152 4.588 4.740 -0.001 0.000 0.189 185 N C 1.714 177.251 175.510 0.045 0.000 1.040 185 N CA 1.993 55.107 53.050 0.108 0.000 0.845 185 N CB -0.408 38.135 38.487 0.093 0.000 1.017 185 N HN 0.449 nan 8.380 nan 0.000 0.426 186 C N -3.121 116.197 119.300 0.029 0.000 3.403 186 C HA 0.644 5.104 4.460 -0.001 0.000 0.317 186 C C 1.374 176.359 174.990 -0.009 0.000 1.346 186 C CA 0.369 59.392 59.018 0.008 0.000 1.743 186 C CB -0.066 27.682 27.740 0.013 0.000 2.308 186 C HN 0.474 nan 8.230 nan 0.000 0.675 187 G N 0.775 109.566 108.800 -0.015 0.000 2.147 187 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.244 187 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.244 187 G C 0.115 175.008 174.900 -0.012 0.000 1.005 187 G CA 0.234 45.317 45.100 -0.028 0.000 0.713 187 G HN 1.153 nan 8.290 nan 0.000 0.515 188 C N 0.605 119.906 119.300 0.002 0.000 2.648 188 C HA 0.537 4.997 4.460 -0.001 0.000 0.415 188 C C 1.876 176.871 174.990 0.007 0.000 1.366 188 C CA -0.020 59.003 59.018 0.008 0.000 1.756 188 C CB -0.335 27.415 27.740 0.017 0.000 2.549 188 C HN 0.542 nan 8.230 nan 0.000 0.597 189 R N 2.857 123.361 120.500 0.007 0.000 2.359 189 R HA 0.102 4.442 4.340 -0.001 0.000 0.231 189 R C 0.332 176.640 176.300 0.014 0.000 0.913 189 R CA -0.230 55.873 56.100 0.005 0.000 1.075 189 R CB -0.181 30.118 30.300 -0.002 0.000 1.087 189 R HN 0.672 nan 8.270 nan 0.000 0.515 190 N N 1.170 119.888 118.700 0.031 0.000 2.405 190 N HA -0.024 4.715 4.740 -0.001 0.000 0.260 190 N C 0.999 176.521 175.510 0.020 0.000 1.152 190 N CA 0.175 53.263 53.050 0.064 0.000 0.948 190 N CB 1.325 39.877 38.487 0.108 0.000 1.111 190 N HN -0.167 nan 8.380 nan 0.000 0.485 191 V N 4.281 124.147 119.914 -0.081 0.000 2.626 191 V HA -0.172 3.947 4.120 -0.001 0.000 0.252 191 V C 1.254 177.124 176.094 -0.375 0.000 1.067 191 V CA 1.352 63.482 62.300 -0.283 0.000 1.081 191 V CB -0.757 30.815 31.823 -0.419 0.000 0.686 191 V HN 0.583 nan 8.190 nan 0.000 0.468 192 F N -0.951 118.966 119.950 -0.055 0.000 2.802 192 F HA 0.102 4.629 4.527 -0.001 0.000 0.300 192 F C 1.666 177.480 175.800 0.024 0.000 1.168 192 F CA 0.550 58.528 58.000 -0.037 0.000 1.433 192 F CB -0.034 38.948 39.000 -0.031 0.000 1.115 192 F HN 0.150 nan 8.300 nan 0.000 0.582 193 L N -0.663 120.661 121.223 0.169 0.000 2.701 193 L HA 0.378 4.717 4.340 -0.001 0.000 0.238 193 L C 0.389 177.378 176.870 0.198 0.000 1.106 193 L CA 0.469 55.403 54.840 0.158 0.000 0.898 193 L CB -0.073 42.046 42.059 0.100 0.000 1.188 193 L HN -0.127 nan 8.230 nan 0.000 0.508 194 L N -0.521 120.767 121.223 0.109 0.000 2.468 194 L HA 0.694 5.034 4.340 -0.001 0.000 0.254 194 L C 0.424 177.325 176.870 0.051 0.000 1.171 194 L CA 0.047 54.927 54.840 0.067 0.000 0.809 194 L CB 0.813 42.828 42.059 -0.073 0.000 1.155 194 L HN 0.185 nan 8.230 nan 0.000 0.473 195 G N -0.110 108.617 108.800 -0.122 0.000 2.340 195 G HA2 0.306 4.266 3.960 -0.001 0.000 0.298 195 G HA3 0.306 4.266 3.960 -0.001 0.000 0.298 195 G C -1.885 172.739 174.900 -0.461 0.000 1.498 195 G CA -0.796 44.002 45.100 -0.503 0.000 0.847 195 G HN 0.216 nan 8.290 nan 0.000 0.594 196 F N 0.128 119.838 119.950 -0.400 0.000 2.421 196 F HA 0.664 5.190 4.527 -0.001 0.000 0.337 196 F C 0.767 176.506 175.800 -0.102 0.000 1.105 196 F CA -0.719 57.207 58.000 -0.124 0.000 1.049 196 F CB 1.904 40.921 39.000 0.029 0.000 1.139 196 F HN 0.479 nan 8.300 nan 0.000 0.479 197 I N 2.639 123.389 120.570 0.299 0.000 2.404 197 I HA 0.589 4.758 4.170 -0.001 0.000 0.293 197 I C -2.566 173.657 176.117 0.178 0.000 0.992 197 I CA -2.499 58.946 61.300 0.243 0.000 1.149 197 I CB 0.749 38.907 38.000 0.263 0.000 1.315 197 I HN 0.216 nan 8.210 nan 0.000 0.446 205 V N -0.397 119.491 119.914 -0.044 0.000 2.823 205 V HA 0.872 4.992 4.120 -0.001 0.000 0.312 205 V C -0.303 175.888 176.094 0.162 0.000 1.072 205 V CA -1.017 61.293 62.300 0.017 0.000 0.937 205 V CB 2.382 34.102 31.823 -0.172 0.000 1.013 205 V HN 0.164 nan 8.190 nan 0.000 0.430 206 V N 3.414 123.506 119.914 0.297 0.000 2.656 206 V HA 0.486 4.605 4.120 -0.001 0.000 0.307 206 V C -0.711 175.567 176.094 0.306 0.000 1.051 206 V CA -0.632 61.819 62.300 0.252 0.000 0.893 206 V CB 1.911 33.798 31.823 0.107 0.000 0.999 206 V HN 0.703 nan 8.190 nan 0.000 0.426 207 L N 5.980 127.274 121.223 0.118 0.000 2.260 207 L HA 0.655 4.995 4.340 -0.001 0.000 0.289 207 L C -0.741 176.147 176.870 0.030 0.000 1.057 207 L CA 0.451 55.193 54.840 -0.163 0.000 0.811 207 L CB 0.199 42.091 42.059 -0.278 0.000 1.184 207 L HN 0.572 nan 8.230 nan 0.000 0.429 208 L N 4.144 125.414 121.223 0.077 0.000 2.434 208 L HA 0.421 4.760 4.340 -0.001 0.000 0.260 208 L C -0.531 176.469 176.870 0.217 0.000 0.983 208 L CA -0.882 54.054 54.840 0.159 0.000 0.820 208 L CB 2.056 44.230 42.059 0.192 0.000 1.361 208 L HN 0.464 nan 8.230 nan 0.000 0.410 209 C N 1.502 120.878 119.300 0.127 0.000 2.596 209 C HA -0.014 4.446 4.460 -0.001 0.000 0.414 209 C C 2.107 177.104 174.990 0.011 0.000 1.396 209 C CA 0.057 59.129 59.018 0.090 0.000 1.698 209 C CB -0.054 27.704 27.740 0.031 0.000 2.572 209 C HN 0.906 nan 8.230 nan 0.000 0.604 210 R N 1.302 121.742 120.500 -0.100 0.000 2.096 210 R HA -0.148 4.191 4.340 -0.001 0.000 0.240 210 R C 0.315 176.363 176.300 -0.419 0.000 1.139 210 R CA 1.650 57.365 56.100 -0.640 0.000 0.952 210 R CB 0.056 29.883 30.300 -0.788 0.000 0.854 210 R HN 0.744 nan 8.270 nan 0.000 0.436 211 Q N -1.362 118.305 119.800 -0.222 0.000 2.323 211 Q HA 0.287 4.626 4.340 -0.001 0.000 0.271 211 Q C -2.173 173.781 176.000 -0.076 0.000 1.048 211 Q CA -1.830 53.886 55.803 -0.145 0.000 0.792 211 Q CB 2.523 31.182 28.738 -0.131 0.000 1.280 211 Q HN 0.069 nan 8.270 nan 0.000 0.441 212 P HA 0.146 nan 4.420 nan 0.000 0.267 212 P C 0.119 177.392 177.300 -0.045 0.000 1.289 212 P CA 0.118 63.183 63.100 -0.058 0.000 0.866 212 P CB 0.400 32.079 31.700 -0.035 0.000 1.309 213 C N 0.351 119.634 119.300 -0.028 0.000 2.440 213 C HA 0.074 4.534 4.460 -0.001 0.000 0.278 213 C C 2.953 177.953 174.990 0.016 0.000 1.295 213 C CA 1.212 60.237 59.018 0.010 0.000 1.738 213 C CB -1.652 26.114 27.740 0.043 0.000 1.987 213 C HN 0.296 nan 8.230 nan 0.000 0.492 214 A N -0.028 122.770 122.820 -0.035 0.000 2.016 214 A HA 0.033 4.353 4.320 -0.001 0.000 0.217 214 A C 1.479 179.028 177.584 -0.058 0.000 1.162 214 A CA 0.955 52.967 52.037 -0.041 0.000 0.662 214 A CB -0.497 18.339 19.000 -0.274 0.000 0.812 214 A HN 0.492 nan 8.150 nan 0.000 0.450 215 S N 0.853 116.502 115.700 -0.085 0.000 2.546 215 S HA 0.046 4.516 4.470 -0.001 0.000 0.290 215 S C 1.435 176.023 174.600 -0.020 0.000 1.290 215 S CA 0.169 58.333 58.200 -0.060 0.000 1.069 215 S CB 0.395 63.556 63.200 -0.065 0.000 0.846 215 S HN 0.554 nan 8.310 nan 0.000 0.495 216 Q N 3.766 123.560 119.800 -0.010 0.000 2.508 216 Q HA -0.076 4.263 4.340 -0.001 0.000 0.214 216 Q C 1.477 177.480 176.000 0.004 0.000 0.979 216 Q CA 1.441 57.247 55.803 0.005 0.000 0.911 216 Q CB -1.099 27.644 28.738 0.008 0.000 0.969 216 Q HN 0.789 nan 8.270 nan 0.000 0.504 217 S N -0.130 115.568 115.700 -0.004 0.000 2.515 217 S HA 0.035 4.504 4.470 -0.001 0.000 0.231 217 S C 1.059 175.661 174.600 0.003 0.000 0.987 217 S CA 0.238 58.437 58.200 -0.002 0.000 0.936 217 S CB -0.151 63.044 63.200 -0.008 0.000 0.766 217 S HN 0.591 nan 8.310 nan 0.000 0.528 230 Q N 4.373 123.757 119.800 -0.693 0.000 2.323 230 Q HA 0.406 4.746 4.340 -0.001 0.000 0.271 230 Q C -2.453 172.779 176.000 -1.279 0.000 1.048 230 Q CA -1.950 53.466 55.803 -0.646 0.000 0.792 230 Q CB 3.064 31.694 28.738 -0.179 0.000 1.280 230 Q HN 0.025 nan 8.270 nan 0.000 0.441 231 P HA -0.014 nan 4.420 nan 0.000 0.271 231 P C 0.249 177.274 177.300 -0.459 0.000 1.216 231 P CA -0.265 62.418 63.100 -0.695 0.000 0.776 231 P CB 0.707 32.279 31.700 -0.214 0.000 0.881 232 L N 4.402 125.376 121.223 -0.415 0.000 2.044 232 L HA 0.117 4.457 4.340 -0.001 0.000 0.205 232 L C 0.677 177.258 176.870 -0.481 0.000 1.075 232 L CA 1.481 56.077 54.840 -0.407 0.000 0.747 232 L CB -0.591 41.229 42.059 -0.398 0.000 0.903 232 L HN 0.271 nan 8.230 nan 0.000 0.435 233 I N 0.858 121.123 120.570 -0.510 0.000 2.352 233 I HA 0.221 4.391 4.170 -0.001 0.000 0.290 233 I C -0.152 175.824 176.117 -0.235 0.000 1.036 233 I CA 0.135 61.150 61.300 -0.475 0.000 1.336 233 I CB 0.775 38.471 38.000 -0.507 0.000 1.407 233 I HN 0.274 nan 8.210 nan 0.000 0.497 234 Q N 5.276 124.971 119.800 -0.176 0.000 2.271 234 Q HA 0.201 4.540 4.340 -0.001 0.000 0.268 234 Q C -1.288 174.682 176.000 -0.050 0.000 1.021 234 Q CA -0.649 55.098 55.803 -0.093 0.000 0.802 234 Q CB 1.542 30.221 28.738 -0.100 0.000 1.282 234 Q HN 0.550 nan 8.270 nan 0.000 0.431 235 D N 3.620 124.010 120.400 -0.016 0.000 2.697 235 D HA -0.210 4.430 4.640 -0.001 0.000 0.238 235 D C -0.626 175.676 176.300 0.003 0.000 1.152 235 D CA 1.383 55.383 54.000 0.001 0.000 0.666 235 D CB -0.525 40.278 40.800 0.004 0.000 1.037 235 D HN 0.823 nan 8.370 nan 0.000 0.423 236 R N -3.240 117.265 120.500 0.007 0.000 3.758 236 R HA -0.246 4.094 4.340 -0.001 0.000 0.299 236 R C 0.285 176.601 176.300 0.026 0.000 1.182 236 R CA 1.364 57.480 56.100 0.026 0.000 0.809 236 R CB -2.780 27.544 30.300 0.039 0.000 1.249 236 R HN 0.688 nan 8.270 nan 0.000 0.497 237 C N -4.847 114.447 119.300 -0.009 0.000 3.259 237 C HA 0.643 5.102 4.460 -0.001 0.000 0.344 237 C C 0.077 175.043 174.990 -0.040 0.000 1.401 237 C CA -1.756 57.281 59.018 0.032 0.000 1.219 237 C CB 0.777 28.567 27.740 0.083 0.000 1.521 237 C HN 0.078 nan 8.230 nan 0.000 0.455 238 F N 1.525 121.425 119.950 -0.083 0.000 2.496 238 F HA 0.430 4.957 4.527 -0.001 0.000 0.344 238 F C 1.077 176.770 175.800 -0.179 0.000 1.155 238 F CA 0.004 57.924 58.000 -0.132 0.000 1.302 238 F CB 0.418 39.356 39.000 -0.104 0.000 1.159 238 F HN 0.529 nan 8.300 nan 0.000 0.595 239 L N 2.635 123.778 121.223 -0.133 0.000 2.578 239 L HA -0.107 4.233 4.340 -0.001 0.000 0.279 239 L C 1.566 178.241 176.870 -0.325 0.000 1.227 239 L CA 0.129 54.733 54.840 -0.393 0.000 0.900 239 L CB 0.578 42.141 42.059 -0.826 0.000 1.144 239 L HN 0.921 nan 8.230 nan 0.000 0.496 240 S N 3.761 119.307 115.700 -0.256 0.000 2.400 240 S HA -0.166 4.303 4.470 -0.001 0.000 0.232 240 S C 1.280 175.884 174.600 0.006 0.000 1.025 240 S CA 0.960 59.126 58.200 -0.058 0.000 0.993 240 S CB -0.276 62.954 63.200 0.050 0.000 0.808 240 S HN 0.843 nan 8.310 nan 0.000 0.478 241 W N -0.038 121.286 121.300 0.040 0.000 3.345 241 W HA 0.517 5.177 4.660 -0.001 0.000 0.282 241 W C 0.979 177.523 176.519 0.042 0.000 1.302 241 W CA -0.649 56.707 57.345 0.018 0.000 1.724 241 W CB -0.568 28.878 29.460 -0.024 0.000 1.104 241 W HN 0.293 nan 8.180 nan 0.000 0.694 242 L N 0.861 122.068 121.223 -0.027 0.000 2.445 242 L HA 0.275 4.615 4.340 -0.001 0.000 0.207 242 L C 0.342 177.241 176.870 0.048 0.000 1.053 242 L CA 1.059 55.937 54.840 0.063 0.000 0.841 242 L CB 0.117 42.206 42.059 0.051 0.000 1.074 242 L HN -0.261 nan 8.230 nan 0.000 0.479 243 V N 0.976 120.895 119.914 0.009 0.000 2.409 243 V HA 0.307 4.426 4.120 -0.001 0.000 0.290 243 V C -0.331 175.771 176.094 0.012 0.000 1.017 243 V CA -1.222 61.072 62.300 -0.009 0.000 0.841 243 V CB 1.300 33.058 31.823 -0.108 0.000 1.003 243 V HN 0.082 nan 8.190 nan 0.000 0.426 244 K N 4.247 124.660 120.400 0.021 0.000 2.414 244 K HA 0.420 4.739 4.320 -0.001 0.000 0.272 244 K C -0.476 176.139 176.600 0.024 0.000 0.993 244 K CA -0.073 56.232 56.287 0.029 0.000 0.964 244 K CB 1.057 33.572 32.500 0.025 0.000 0.925 244 K HN 0.516 nan 8.250 nan 0.000 0.487 245 I N 4.182 124.769 120.570 0.029 0.000 2.342 245 I HA 0.136 4.305 4.170 -0.001 0.000 0.291 245 I C -1.977 174.153 176.117 0.021 0.000 1.010 245 I CA -2.416 58.900 61.300 0.027 0.000 1.308 245 I CB 0.950 38.967 38.000 0.027 0.000 1.400 245 I HN 0.298 nan 8.210 nan 0.000 0.488 246 P HA 0.035 nan 4.420 nan 0.000 0.268 246 P C -0.252 177.058 177.300 0.018 0.000 1.204 246 P CA -0.265 62.844 63.100 0.015 0.000 0.768 246 P CB 0.443 32.159 31.700 0.027 0.000 0.842 247 S N 1.171 116.879 115.700 0.014 0.000 2.580 247 S HA 0.008 4.478 4.470 -0.001 0.000 0.266 247 S C 1.271 175.886 174.600 0.024 0.000 1.354 247 S CA -0.227 57.983 58.200 0.017 0.000 1.008 247 S CB 0.379 63.587 63.200 0.014 0.000 0.898 247 S HN 0.483 nan 8.310 nan 0.000 0.555 248 E N 1.052 121.266 120.200 0.025 0.000 2.070 248 E HA -0.250 4.100 4.350 -0.001 0.000 0.197 248 E C 2.406 179.033 176.600 0.045 0.000 1.004 248 E CA 2.106 58.524 56.400 0.030 0.000 0.805 248 E CB -0.204 29.508 29.700 0.020 0.000 0.744 248 E HN 0.805 nan 8.360 nan 0.000 0.451 249 Q N 0.313 120.139 119.800 0.044 0.000 2.061 249 Q HA -0.246 4.093 4.340 -0.001 0.000 0.204 249 Q C 2.042 178.080 176.000 0.064 0.000 0.984 249 Q CA 1.596 57.440 55.803 0.068 0.000 0.846 249 Q CB -0.438 28.335 28.738 0.058 0.000 0.902 249 Q HN 0.367 nan 8.270 nan 0.000 0.421 250 E N 1.301 121.522 120.200 0.035 0.000 2.058 250 E HA -0.210 4.139 4.350 -0.001 0.000 0.194 250 E C 2.228 178.860 176.600 0.054 0.000 0.997 250 E CA 1.467 57.880 56.400 0.023 0.000 0.801 250 E CB -0.061 29.644 29.700 0.007 0.000 0.746 250 E HN 0.406 nan 8.360 nan 0.000 0.450 251 Q N 0.149 119.991 119.800 0.069 0.000 2.167 251 Q HA -0.098 4.242 4.340 -0.001 0.000 0.202 251 Q C 2.266 178.339 176.000 0.122 0.000 0.970 251 Q CA 0.779 56.639 55.803 0.096 0.000 0.855 251 Q CB -0.026 28.757 28.738 0.074 0.000 0.911 251 Q HN 0.337 nan 8.270 nan 0.000 0.438 252 L N 0.073 121.375 121.223 0.132 0.000 2.376 252 L HA -0.093 4.247 4.340 -0.001 0.000 0.219 252 L C 2.318 179.365 176.870 0.295 0.000 1.133 252 L CA 0.618 55.587 54.840 0.215 0.000 0.816 252 L CB -0.048 42.139 42.059 0.213 0.000 0.933 252 L HN 0.131 nan 8.230 nan 0.000 0.449 253 R N -0.356 120.220 120.500 0.127 0.000 2.265 253 R HA 0.224 4.563 4.340 -0.001 0.000 0.194 253 R C 0.708 177.025 176.300 0.029 0.000 0.931 253 R CA 0.195 56.233 56.100 -0.104 0.000 1.032 253 R CB 0.385 30.507 30.300 -0.296 0.000 0.980 253 R HN 0.173 nan 8.270 nan 0.000 0.497 254 A N 1.224 124.120 122.820 0.126 0.000 2.272 254 A HA 0.230 4.549 4.320 -0.001 0.000 0.275 254 A C 0.098 177.807 177.584 0.208 0.000 1.096 254 A CA -0.413 51.730 52.037 0.177 0.000 0.822 254 A CB 0.325 19.419 19.000 0.157 0.000 1.088 254 A HN 0.171 nan 8.150 nan 0.000 0.495 255 R N 0.459 121.032 120.500 0.121 0.000 2.502 255 R HA -0.016 4.324 4.340 -0.001 0.000 0.292 255 R C -0.535 175.807 176.300 0.071 0.000 0.998 255 R CA 0.140 56.257 56.100 0.028 0.000 1.056 255 R CB 0.255 30.330 30.300 -0.375 0.000 0.939 255 R HN 0.623 nan 8.270 nan 0.000 0.411 256 Q N 4.618 124.484 119.800 0.110 0.000 3.254 256 Q HA 0.069 4.409 4.340 -0.001 0.000 0.315 256 Q C 0.142 176.172 176.000 0.050 0.000 1.405 256 Q CA 0.044 55.906 55.803 0.098 0.000 0.966 256 Q CB -0.260 28.544 28.738 0.111 0.000 1.706 256 Q HN 0.563 nan 8.270 nan 0.000 0.525 257 I N 1.877 122.455 120.570 0.014 0.000 2.517 257 I HA -0.038 4.132 4.170 -0.001 0.000 0.285 257 I C 0.741 176.834 176.117 -0.041 0.000 1.106 257 I CA 0.168 61.439 61.300 -0.048 0.000 1.402 257 I CB 0.716 38.634 38.000 -0.137 0.000 1.399 257 I HN 0.273 nan 8.210 nan 0.000 0.535 258 T N 3.859 118.384 114.554 -0.048 0.000 2.849 258 T HA 0.386 4.736 4.350 -0.001 0.000 0.284 258 T C 1.194 175.847 174.700 -0.079 0.000 1.004 258 T CA -0.101 61.975 62.100 -0.040 0.000 1.021 258 T CB 1.680 70.531 68.868 -0.029 0.000 1.013 258 T HN 0.695 nan 8.240 nan 0.000 0.527 259 A N 0.603 123.390 122.820 -0.055 0.000 1.902 259 A HA -0.081 4.239 4.320 -0.001 0.000 0.217 259 A C 2.447 179.984 177.584 -0.080 0.000 1.181 259 A CA 1.383 53.379 52.037 -0.069 0.000 0.623 259 A CB -0.987 17.993 19.000 -0.033 0.000 0.818 259 A HN 0.924 nan 8.150 nan 0.000 0.443 260 Q N -0.766 118.997 119.800 -0.061 0.000 2.291 260 Q HA -0.183 4.157 4.340 -0.001 0.000 0.205 260 Q C 2.083 178.037 176.000 -0.076 0.000 0.970 260 Q CA 1.357 57.125 55.803 -0.058 0.000 0.876 260 Q CB -0.118 28.596 28.738 -0.040 0.000 0.935 260 Q HN 0.785 nan 8.270 nan 0.000 0.455 261 Q N -0.208 119.535 119.800 -0.095 0.000 2.212 261 Q HA -0.034 4.306 4.340 -0.001 0.000 0.199 261 Q C 2.099 177.991 176.000 -0.180 0.000 0.950 261 Q CA 0.434 56.166 55.803 -0.118 0.000 0.863 261 Q CB 0.269 28.944 28.738 -0.106 0.000 0.944 261 Q HN 0.348 nan 8.270 nan 0.000 0.465 262 I N 1.638 122.069 120.570 -0.232 0.000 2.179 262 I HA -0.274 3.896 4.170 -0.001 0.000 0.242 262 I C 1.708 177.712 176.117 -0.187 0.000 1.088 262 I CA 1.122 62.230 61.300 -0.320 0.000 1.357 262 I CB -1.163 36.595 38.000 -0.404 0.000 1.051 262 I HN 0.260 nan 8.210 nan 0.000 0.409 263 N N 1.801 120.425 118.700 -0.126 0.000 2.021 263 N HA -0.226 4.514 4.740 -0.001 0.000 0.198 263 N C 1.790 177.246 175.510 -0.091 0.000 1.041 263 N CA 1.647 54.647 53.050 -0.082 0.000 0.862 263 N CB -0.471 37.979 38.487 -0.061 0.000 1.048 263 N HN 0.434 nan 8.380 nan 0.000 0.427 264 K N 0.226 120.565 120.400 -0.103 0.000 2.057 264 K HA -0.075 4.245 4.320 -0.001 0.000 0.207 264 K C 2.051 178.559 176.600 -0.152 0.000 1.049 264 K CA 0.598 56.826 56.287 -0.099 0.000 0.931 264 K CB -0.278 32.172 32.500 -0.082 0.000 0.714 264 K HN 0.047 nan 8.250 nan 0.000 0.440 265 L N 1.603 122.686 121.223 -0.234 0.000 2.056 265 L HA -0.159 4.181 4.340 -0.001 0.000 0.207 265 L C 2.123 178.648 176.870 -0.574 0.000 1.078 265 L CA 1.844 56.427 54.840 -0.428 0.000 0.749 265 L CB -0.253 41.508 42.059 -0.497 0.000 0.901 265 L HN 0.043 nan 8.230 nan 0.000 0.433 266 E N -0.342 119.656 120.200 -0.336 0.000 2.274 266 E HA -0.227 4.123 4.350 -0.001 0.000 0.194 266 E C 2.098 178.705 176.600 0.011 0.000 0.996 266 E CA 1.024 57.369 56.400 -0.092 0.000 0.840 266 E CB -0.051 29.685 29.700 0.059 0.000 0.772 266 E HN 0.626 nan 8.360 nan 0.000 0.491 267 E N -0.532 119.642 120.200 -0.044 0.000 2.152 267 E HA -0.101 4.249 4.350 -0.001 0.000 0.192 267 E C 1.824 178.438 176.600 0.023 0.000 0.983 267 E CA 0.575 56.973 56.400 -0.003 0.000 0.818 267 E CB 0.053 29.739 29.700 -0.023 0.000 0.758 267 E HN 0.305 nan 8.360 nan 0.000 0.467 268 L N -0.389 120.827 121.223 -0.013 0.000 2.095 268 L HA -0.101 4.238 4.340 -0.001 0.000 0.204 268 L C 2.044 179.028 176.870 0.190 0.000 1.080 268 L CA 0.360 55.227 54.840 0.046 0.000 0.759 268 L CB -0.273 41.785 42.059 -0.002 0.000 0.914 268 L HN 0.350 nan 8.230 nan 0.000 0.439 269 W N 1.055 122.403 121.300 0.080 0.000 2.341 269 W HA -0.192 4.468 4.660 -0.000 0.000 0.283 269 W C 2.382 178.942 176.519 0.068 0.000 1.215 269 W CA 0.664 58.062 57.345 0.088 0.000 1.211 269 W CB -0.746 28.792 29.460 0.130 0.000 1.131 269 W HN 0.164 nan 8.180 nan 0.000 0.552 270 K N -0.186 120.376 120.400 0.270 0.000 2.059 270 K HA -0.219 4.101 4.320 -0.001 0.000 0.212 270 K C 1.411 178.084 176.600 0.122 0.000 1.050 270 K CA 1.859 58.241 56.287 0.159 0.000 0.927 270 K CB -0.268 32.295 32.500 0.104 0.000 0.714 270 K HN 0.185 nan 8.250 nan 0.000 0.447 271 E N -0.658 119.613 120.200 0.119 0.000 2.601 271 E HA 0.082 4.432 4.350 -0.001 0.000 0.219 271 E C -0.537 176.123 176.600 0.100 0.000 0.964 271 E CA -0.025 56.429 56.400 0.090 0.000 1.050 271 E CB 0.730 30.470 29.700 0.065 0.000 1.068 271 E HN 0.204 nan 8.360 nan 0.000 0.496 272 N N 1.467 120.256 118.700 0.147 0.000 2.725 272 N HA 0.115 4.855 4.740 -0.001 0.000 0.248 272 N C -2.316 173.336 175.510 0.236 0.000 1.402 272 N CA -0.969 52.176 53.050 0.157 0.000 0.766 272 N CB 1.526 40.101 38.487 0.146 0.000 1.223 272 N HN -0.027 nan 8.380 nan 0.000 0.515 273 P HA -0.003 nan 4.420 nan 0.000 0.236 273 P C 0.804 178.070 177.300 -0.056 0.000 1.172 273 P CA 0.800 63.899 63.100 -0.001 0.000 0.759 273 P CB 0.493 32.147 31.700 -0.078 0.000 0.843 274 S N -0.492 115.263 115.700 0.091 0.000 2.458 274 S HA 0.189 4.659 4.470 -0.001 0.000 0.223 274 S C 1.343 176.066 174.600 0.204 0.000 1.019 274 S CA 0.150 58.405 58.200 0.092 0.000 0.937 274 S CB -0.402 62.843 63.200 0.075 0.000 0.788 274 S HN 0.260 nan 8.310 nan 0.000 0.511 275 A N 2.262 125.271 122.820 0.315 0.000 2.475 275 A HA 0.460 4.779 4.320 -0.001 0.000 0.239 275 A C 0.783 178.586 177.584 0.366 0.000 1.087 275 A CA 0.152 52.362 52.037 0.289 0.000 0.779 275 A CB -0.024 19.110 19.000 0.224 0.000 1.036 275 A HN 0.423 nan 8.150 nan 0.000 0.506 276 T N -1.459 113.219 114.554 0.206 0.000 2.831 276 T HA 0.515 4.864 4.350 -0.001 0.000 0.287 276 T C 0.821 175.560 174.700 0.065 0.000 1.070 276 T CA -0.579 61.621 62.100 0.166 0.000 1.010 276 T CB 0.541 69.501 68.868 0.152 0.000 1.264 276 T HN 0.281 nan 8.240 nan 0.000 0.532 277 L N 0.250 121.494 121.223 0.035 0.000 2.263 277 L HA -0.086 4.253 4.340 -0.001 0.000 0.216 277 L C 2.458 179.338 176.870 0.016 0.000 1.111 277 L CA 1.417 56.255 54.840 -0.003 0.000 0.773 277 L CB -0.742 41.312 42.059 -0.008 0.000 0.906 277 L HN 0.678 nan 8.230 nan 0.000 0.439 278 E N -0.274 119.952 120.200 0.043 0.000 2.204 278 E HA -0.096 4.254 4.350 -0.001 0.000 0.195 278 E C 0.527 177.147 176.600 0.034 0.000 0.990 278 E CA 0.634 57.062 56.400 0.046 0.000 0.821 278 E CB -0.241 29.496 29.700 0.062 0.000 0.750 278 E HN 0.471 nan 8.360 nan 0.000 0.477 289 P HA 0.140 nan 4.420 nan 0.000 0.271 289 P C -0.209 177.080 177.300 -0.018 0.000 1.216 289 P CA -0.421 62.668 63.100 -0.017 0.000 0.776 289 P CB 0.751 32.431 31.700 -0.034 0.000 0.881 290 Q N 2.207 121.997 119.800 -0.017 0.000 2.263 290 Q HA -0.067 4.273 4.340 -0.001 0.000 0.289 290 Q C 0.009 175.992 176.000 -0.028 0.000 1.061 290 Q CA 0.531 56.330 55.803 -0.007 0.000 0.927 290 Q CB -0.050 28.682 28.738 -0.009 0.000 1.154 290 Q HN 0.397 nan 8.270 nan 0.000 0.378 291 H N 3.328 122.355 119.070 -0.072 0.000 2.790 291 H HA 0.102 4.658 4.556 -0.001 0.000 0.358 291 H C -0.374 174.875 175.328 -0.131 0.000 1.103 291 H CA -0.052 55.944 56.048 -0.086 0.000 1.426 291 H CB 0.704 30.430 29.762 -0.060 0.000 1.424 291 H HN 0.525 nan 8.280 nan 0.000 0.599 292 V N 6.106 125.943 119.914 -0.129 0.000 2.901 292 V HA -0.084 4.036 4.120 -0.001 0.000 0.307 292 V C 0.787 176.911 176.094 0.051 0.000 1.084 292 V CA 0.504 62.733 62.300 -0.117 0.000 1.184 292 V CB 0.445 32.166 31.823 -0.171 0.000 0.941 292 V HN 0.476 nan 8.190 nan 0.000 0.493 293 L N 4.001 125.173 121.223 -0.086 0.000 2.303 293 L HA 0.440 4.780 4.340 -0.001 0.000 0.266 293 L C 0.920 177.708 176.870 -0.137 0.000 1.011 293 L CA -0.748 53.951 54.840 -0.235 0.000 0.818 293 L CB 1.613 43.319 42.059 -0.588 0.000 1.326 293 L HN 0.471 nan 8.230 nan 0.000 0.435 294 L N 0.141 121.307 121.223 -0.095 0.000 2.072 294 L HA 0.066 4.405 4.340 -0.001 0.000 0.205 294 L C 0.651 177.536 176.870 0.026 0.000 1.079 294 L CA 1.233 56.081 54.840 0.013 0.000 0.752 294 L CB -0.129 41.937 42.059 0.012 0.000 0.906 294 L HN 0.556 nan 8.230 nan 0.000 0.436 295 R N -1.541 118.883 120.500 -0.127 0.000 2.686 295 R HA 0.496 4.836 4.340 -0.001 0.000 0.286 295 R C -1.774 174.407 176.300 -0.200 0.000 0.969 295 R CA -0.605 55.487 56.100 -0.014 0.000 0.898 295 R CB 1.938 32.266 30.300 0.047 0.000 1.183 295 R HN -0.173 nan 8.270 nan 0.000 0.456 296 Y N 0.485 120.883 120.300 0.163 0.000 2.425 296 Y HA 0.172 4.721 4.550 -0.000 0.000 0.344 296 Y C 1.139 177.195 175.900 0.260 0.000 0.969 296 Y CA -0.860 57.348 58.100 0.181 0.000 1.052 296 Y CB 1.892 40.474 38.460 0.203 0.000 1.215 296 Y HN 0.529 nan 8.280 nan 0.000 0.451 297 E N 0.912 121.313 120.200 0.335 0.000 2.110 297 E HA -0.104 4.245 4.350 -0.001 0.000 0.193 297 E C -0.443 176.368 176.600 0.352 0.000 0.988 297 E CA 1.413 57.985 56.400 0.286 0.000 0.804 297 E CB 0.164 29.974 29.700 0.184 0.000 0.745 297 E HN 0.630 nan 8.360 nan 0.000 0.458 298 D N -2.788 117.798 120.400 0.309 0.000 2.654 298 D HA 0.298 4.937 4.640 -0.001 0.000 0.231 298 D C 0.065 176.398 176.300 0.056 0.000 1.239 298 D CA 0.053 54.194 54.000 0.236 0.000 0.790 298 D CB 1.546 42.532 40.800 0.310 0.000 1.480 298 D HN -0.104 nan 8.370 nan 0.000 0.442 299 A N 0.933 123.644 122.820 -0.182 0.000 1.972 299 A HA -0.174 4.145 4.320 -0.001 0.000 0.219 299 A C 1.529 179.030 177.584 -0.137 0.000 1.169 299 A CA 1.392 53.138 52.037 -0.485 0.000 0.635 299 A CB -0.674 17.711 19.000 -1.025 0.000 0.810 299 A HN 0.634 nan 8.150 nan 0.000 0.446 300 Y N -0.350 119.966 120.300 0.026 0.000 2.181 300 Y HA -0.251 4.298 4.550 -0.001 0.000 0.288 300 Y C 2.706 178.683 175.900 0.128 0.000 1.146 300 Y CA 1.901 60.049 58.100 0.081 0.000 1.164 300 Y CB -0.355 38.150 38.460 0.075 0.000 0.982 300 Y HN 0.466 nan 8.280 nan 0.000 0.515 301 Q N -0.839 119.152 119.800 0.320 0.000 2.119 301 Q HA -0.254 4.085 4.340 -0.001 0.000 0.201 301 Q C 2.028 178.228 176.000 0.334 0.000 0.972 301 Q CA 1.516 57.500 55.803 0.302 0.000 0.847 301 Q CB -0.403 28.530 28.738 0.325 0.000 0.903 301 Q HN 0.608 nan 8.270 nan 0.000 0.433 302 Y N 1.371 121.752 120.300 0.135 0.000 2.097 302 Y HA -0.329 4.221 4.550 -0.001 0.000 0.282 302 Y C 2.511 178.487 175.900 0.126 0.000 1.152 302 Y CA 2.458 60.529 58.100 -0.049 0.000 1.136 302 Y CB -0.346 37.964 38.460 -0.249 0.000 0.975 302 Y HN 0.243 nan 8.280 nan 0.000 0.498 303 Q N 0.064 120.007 119.800 0.238 0.000 2.077 303 Q HA -0.265 4.075 4.340 -0.001 0.000 0.206 303 Q C 1.739 177.813 176.000 0.123 0.000 0.989 303 Q CA 2.066 57.970 55.803 0.168 0.000 0.853 303 Q CB -0.288 28.529 28.738 0.132 0.000 0.907 303 Q HN 0.463 nan 8.270 nan 0.000 0.418 304 N N 0.119 118.899 118.700 0.134 0.000 2.364 304 N HA -0.085 4.655 4.740 -0.001 0.000 0.183 304 N C 1.551 177.094 175.510 0.056 0.000 1.022 304 N CA 1.073 54.186 53.050 0.105 0.000 0.883 304 N CB -0.021 38.540 38.487 0.123 0.000 0.965 304 N HN 0.412 nan 8.380 nan 0.000 0.438 305 I N -1.341 119.243 120.570 0.023 0.000 2.556 305 I HA -0.041 4.128 4.170 -0.001 0.000 0.251 305 I C 1.301 177.293 176.117 -0.208 0.000 1.105 305 I CA 0.460 61.702 61.300 -0.096 0.000 1.436 305 I CB -0.046 37.899 38.000 -0.091 0.000 1.139 305 I HN -0.078 nan 8.210 nan 0.000 0.438 306 F N 1.002 120.862 119.950 -0.151 0.000 2.293 306 F HA 0.021 4.548 4.527 -0.000 0.000 0.297 306 F C 2.523 178.284 175.800 -0.065 0.000 1.089 306 F CA 1.034 58.936 58.000 -0.163 0.000 1.377 306 F CB -0.693 38.108 39.000 -0.332 0.000 1.051 306 F HN 0.006 nan 8.300 nan 0.000 0.511 307 G N 1.257 110.140 108.800 0.139 0.000 2.514 307 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.217 307 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.217 307 G C -0.826 174.128 174.900 0.090 0.000 1.198 307 G CA 0.909 46.077 45.100 0.114 0.000 0.780 307 G HN 0.226 nan 8.290 nan 0.000 0.565 308 P HA 0.062 nan 4.420 nan 0.000 0.223 308 P C 1.950 179.270 177.300 0.033 0.000 1.151 308 P CA 0.468 63.591 63.100 0.038 0.000 0.787 308 P CB -0.032 31.679 31.700 0.019 0.000 0.788 309 L N -1.345 119.903 121.223 0.040 0.000 2.056 309 L HA -0.109 4.231 4.340 -0.001 0.000 0.207 309 L C 2.300 179.225 176.870 0.093 0.000 1.078 309 L CA 1.192 56.060 54.840 0.048 0.000 0.749 309 L CB -1.203 40.883 42.059 0.045 0.000 0.901 309 L HN -0.147 nan 8.230 nan 0.000 0.433 310 V N 0.291 120.289 119.914 0.140 0.000 2.392 310 V HA -0.316 3.804 4.120 -0.001 0.000 0.249 310 V C 2.592 178.750 176.094 0.107 0.000 1.059 310 V CA 1.882 64.295 62.300 0.188 0.000 1.051 310 V CB -0.539 31.414 31.823 0.218 0.000 0.658 310 V HN 0.432 nan 8.190 nan 0.000 0.455 311 K N -0.219 120.220 120.400 0.064 0.000 2.057 311 K HA -0.109 4.210 4.320 -0.001 0.000 0.206 311 K C 2.146 178.725 176.600 -0.036 0.000 1.050 311 K CA 1.281 57.574 56.287 0.009 0.000 0.935 311 K CB -0.173 32.342 32.500 0.026 0.000 0.715 311 K HN 0.378 nan 8.250 nan 0.000 0.439 312 L N 0.928 122.146 121.223 -0.007 0.000 2.042 312 L HA -0.206 4.133 4.340 -0.001 0.000 0.210 312 L C 2.577 179.442 176.870 -0.008 0.000 1.076 312 L CA 1.116 55.952 54.840 -0.006 0.000 0.749 312 L CB -0.412 41.647 42.059 0.001 0.000 0.893 312 L HN 0.248 nan 8.230 nan 0.000 0.432 313 E N 0.185 120.378 120.200 -0.012 0.000 2.051 313 E HA -0.191 4.159 4.350 -0.001 0.000 0.192 313 E C 2.252 178.713 176.600 -0.232 0.000 0.991 313 E CA 1.492 57.892 56.400 -0.001 0.000 0.799 313 E CB -0.262 29.540 29.700 0.170 0.000 0.748 313 E HN 0.424 nan 8.360 nan 0.000 0.449 314 A N 1.627 124.075 122.820 -0.621 0.000 1.865 314 A HA -0.216 4.103 4.320 -0.001 0.000 0.217 314 A C 1.931 179.256 177.584 -0.432 0.000 1.191 314 A CA 2.055 53.488 52.037 -1.006 0.000 0.623 314 A CB -0.626 17.929 19.000 -0.741 0.000 0.826 314 A HN 0.146 nan 8.150 nan 0.000 0.444 315 D N -1.732 118.499 120.400 -0.282 0.000 2.123 315 D HA -0.171 4.469 4.640 -0.001 0.000 0.196 315 D C 1.711 177.869 176.300 -0.237 0.000 0.992 315 D CA 1.655 55.494 54.000 -0.268 0.000 0.833 315 D CB -0.515 40.192 40.800 -0.154 0.000 0.954 315 D HN 0.607 nan 8.370 nan 0.000 0.455 316 Y N 1.549 121.724 120.300 -0.209 0.000 2.097 316 Y HA -0.248 4.301 4.550 -0.001 0.000 0.282 316 Y C 2.032 177.845 175.900 -0.146 0.000 1.152 316 Y CA 2.050 60.066 58.100 -0.141 0.000 1.136 316 Y CB -0.283 38.133 38.460 -0.074 0.000 0.975 316 Y HN -0.130 nan 8.280 nan 0.000 0.498 317 D N -0.178 120.272 120.400 0.083 0.000 2.182 317 D HA -0.211 4.428 4.640 -0.001 0.000 0.201 317 D C 2.178 178.362 176.300 -0.193 0.000 0.986 317 D CA 1.536 55.612 54.000 0.127 0.000 0.847 317 D CB -0.215 40.825 40.800 0.400 0.000 0.942 317 D HN 0.382 nan 8.370 nan 0.000 0.467 318 K N 0.192 120.177 120.400 -0.692 0.000 2.001 318 K HA -0.124 4.195 4.320 -0.001 0.000 0.208 318 K C 1.977 178.236 176.600 -0.568 0.000 1.048 318 K CA 1.004 56.558 56.287 -1.223 0.000 0.932 318 K CB 0.097 31.651 32.500 -1.576 0.000 0.715 318 K HN -0.000 nan 8.250 nan 0.000 0.437 319 K N 0.679 120.805 120.400 -0.456 0.000 2.057 319 K HA -0.179 4.141 4.320 -0.001 0.000 0.207 319 K C 2.199 178.622 176.600 -0.296 0.000 1.049 319 K CA 1.135 57.218 56.287 -0.340 0.000 0.931 319 K CB -0.310 31.979 32.500 -0.352 0.000 0.714 319 K HN 0.122 nan 8.250 nan 0.000 0.440 320 L N 2.141 123.158 121.223 -0.343 0.000 1.955 320 L HA -0.222 4.117 4.340 -0.001 0.000 0.213 320 L C 2.128 178.928 176.870 -0.117 0.000 1.072 320 L CA 1.953 56.653 54.840 -0.234 0.000 0.755 320 L CB -0.501 41.471 42.059 -0.145 0.000 0.888 320 L HN -0.090 nan 8.230 nan 0.000 0.432 321 K N 0.024 120.399 120.400 -0.043 0.000 2.089 321 K HA -0.220 4.100 4.320 -0.001 0.000 0.210 321 K C 2.041 178.673 176.600 0.052 0.000 1.048 321 K CA 2.099 58.420 56.287 0.058 0.000 0.926 321 K CB -0.240 32.403 32.500 0.239 0.000 0.714 321 K HN 0.544 nan 8.250 nan 0.000 0.448 322 E N -0.757 119.431 120.200 -0.020 0.000 2.285 322 E HA -0.081 4.268 4.350 -0.001 0.000 0.194 322 E C 1.567 178.159 176.600 -0.013 0.000 0.997 322 E CA 0.990 57.387 56.400 -0.006 0.000 0.845 322 E CB 0.095 29.756 29.700 -0.067 0.000 0.782 322 E HN 0.370 nan 8.360 nan 0.000 0.491 323 S N 0.200 115.869 115.700 -0.052 0.000 2.522 323 S HA -0.075 4.395 4.470 -0.001 0.000 0.227 323 S C 1.661 176.250 174.600 -0.019 0.000 0.986 323 S CA 0.388 58.558 58.200 -0.049 0.000 0.929 323 S CB 0.073 63.222 63.200 -0.086 0.000 0.769 323 S HN 0.195 nan 8.310 nan 0.000 0.529 324 Q N 1.056 120.854 119.800 -0.004 0.000 2.424 324 Q HA 0.112 4.451 4.340 -0.001 0.000 0.204 324 Q C -0.119 175.978 176.000 0.162 0.000 0.933 324 Q CA 0.182 55.974 55.803 -0.018 0.000 0.929 324 Q CB -0.149 28.419 28.738 -0.283 0.000 1.037 324 Q HN 0.462 nan 8.270 nan 0.000 0.511 325 T N 2.805 117.468 114.554 0.182 0.000 2.777 325 T HA -0.091 4.258 4.350 -0.001 0.000 0.273 325 T C 0.008 174.792 174.700 0.139 0.000 1.016 325 T CA 0.653 62.855 62.100 0.170 0.000 1.156 325 T CB 0.197 69.117 68.868 0.087 0.000 1.019 325 T HN 0.082 nan 8.240 nan 0.000 0.503 326 Q N 2.530 122.415 119.800 0.142 0.000 2.337 326 Q HA 0.333 4.673 4.340 -0.001 0.000 0.266 326 Q C 0.277 176.306 176.000 0.048 0.000 1.023 326 Q CA -0.703 55.160 55.803 0.101 0.000 0.829 326 Q CB 2.235 31.056 28.738 0.138 0.000 1.306 326 Q HN 0.575 nan 8.270 nan 0.000 0.449 327 D N 0.381 120.806 120.400 0.041 0.000 2.615 327 D HA -0.017 4.623 4.640 -0.001 0.000 0.259 327 D C -0.030 176.287 176.300 0.028 0.000 0.999 327 D CA 0.569 54.584 54.000 0.025 0.000 0.938 327 D CB 0.654 41.466 40.800 0.020 0.000 1.121 327 D HN 0.309 nan 8.370 nan 0.000 0.487 328 N N 1.108 119.833 118.700 0.041 0.000 3.114 328 N HA 0.152 4.892 4.740 -0.001 0.000 0.289 328 N C -1.223 174.327 175.510 0.066 0.000 1.519 328 N CA -0.142 52.941 53.050 0.055 0.000 1.026 328 N CB 0.031 38.552 38.487 0.055 0.000 1.306 328 N HN -0.058 nan 8.380 nan 0.000 0.495 329 I N 0.856 121.471 120.570 0.075 0.000 2.412 329 I HA 0.307 4.477 4.170 -0.001 0.000 0.296 329 I C 0.552 176.709 176.117 0.067 0.000 0.987 329 I CA -0.451 60.880 61.300 0.051 0.000 1.180 329 I CB 1.409 39.390 38.000 -0.032 0.000 1.340 329 I HN 0.058 nan 8.210 nan 0.000 0.455 330 T N 5.581 120.122 114.554 -0.021 0.000 2.799 330 T HA 0.521 4.870 4.350 -0.001 0.000 0.286 330 T C 0.043 174.677 174.700 -0.109 0.000 0.973 330 T CA -0.363 61.663 62.100 -0.123 0.000 1.035 330 T CB 1.528 70.217 68.868 -0.298 0.000 0.932 330 T HN 0.250 nan 8.240 nan 0.000 0.469 331 V N 4.064 123.851 119.914 -0.211 0.000 2.513 331 V HA 0.516 4.636 4.120 -0.001 0.000 0.299 331 V C 0.291 176.172 176.094 -0.355 0.000 1.035 331 V CA -1.009 61.029 62.300 -0.437 0.000 0.889 331 V CB 1.710 32.853 31.823 -1.135 0.000 0.988 331 V HN 0.694 nan 8.190 nan 0.000 0.440 332 R N 2.781 123.133 120.500 -0.247 0.000 2.294 332 R HA 0.387 4.727 4.340 -0.001 0.000 0.319 332 R C -1.468 174.742 176.300 -0.149 0.000 0.984 332 R CA -0.456 55.578 56.100 -0.110 0.000 0.861 332 R CB 0.898 31.193 30.300 -0.008 0.000 1.104 332 R HN 0.705 nan 8.270 nan 0.000 0.451 333 W N 2.720 124.051 121.300 0.052 0.000 2.375 333 W HA 0.328 4.987 4.660 -0.001 0.000 0.336 333 W C 0.146 176.717 176.519 0.087 0.000 1.160 333 W CA 0.082 57.447 57.345 0.034 0.000 1.266 333 W CB 1.217 30.657 29.460 -0.035 0.000 1.195 333 W HN 0.561 nan 8.180 nan 0.000 0.599 334 D N 0.277 120.900 120.400 0.372 0.000 2.692 334 D HA 0.500 5.139 4.640 -0.001 0.000 0.303 334 D C -2.239 174.173 176.300 0.186 0.000 1.278 334 D CA -0.718 53.437 54.000 0.257 0.000 0.852 334 D CB 1.559 42.559 40.800 0.334 0.000 1.375 334 D HN 0.195 nan 8.370 nan 0.000 0.453 335 L N 1.201 122.502 121.223 0.129 0.000 2.439 335 L HA 0.806 5.146 4.340 -0.001 0.000 0.270 335 L C 0.180 177.092 176.870 0.070 0.000 0.972 335 L CA -0.193 54.697 54.840 0.085 0.000 0.836 335 L CB 1.485 43.578 42.059 0.056 0.000 1.255 335 L HN 0.472 nan 8.230 nan 0.000 0.404 336 G N 3.754 112.588 108.800 0.058 0.000 2.684 336 G HA2 0.250 4.210 3.960 -0.001 0.000 0.255 336 G HA3 0.250 4.210 3.960 -0.001 0.000 0.255 336 G C 0.659 175.580 174.900 0.035 0.000 1.219 336 G CA -0.477 44.650 45.100 0.045 0.000 0.901 336 G HN 0.761 nan 8.290 nan 0.000 0.548 337 L N 0.400 121.640 121.223 0.028 0.000 2.313 337 L HA -0.024 4.316 4.340 -0.001 0.000 0.214 337 L C 2.403 179.286 176.870 0.021 0.000 1.119 337 L CA 0.790 55.643 54.840 0.022 0.000 0.809 337 L CB -0.283 41.786 42.059 0.017 0.000 0.933 337 L HN 0.672 nan 8.230 nan 0.000 0.449 338 N N 0.324 119.038 118.700 0.024 0.000 2.571 338 N HA -0.174 4.565 4.740 -0.001 0.000 0.189 338 N C 0.421 175.946 175.510 0.025 0.000 1.154 338 N CA 0.397 53.462 53.050 0.026 0.000 0.907 338 N CB -0.208 38.297 38.487 0.031 0.000 0.977 338 N HN 0.191 nan 8.380 nan 0.000 0.449 339 K N -1.213 119.202 120.400 0.025 0.000 3.339 339 K HA -0.156 4.164 4.320 -0.001 0.000 0.299 339 K C -0.704 175.913 176.600 0.027 0.000 1.270 339 K CA 0.732 57.033 56.287 0.023 0.000 0.875 339 K CB -1.361 31.149 32.500 0.015 0.000 1.298 339 K HN 0.461 nan 8.250 nan 0.000 0.485 340 K N 1.298 121.718 120.400 0.035 0.000 2.098 340 K HA 0.283 4.603 4.320 -0.001 0.000 0.257 340 K C 0.322 176.956 176.600 0.057 0.000 0.999 340 K CA -0.775 55.539 56.287 0.044 0.000 0.924 340 K CB 0.838 33.366 32.500 0.046 0.000 1.028 340 K HN -0.024 nan 8.250 nan 0.000 0.466 341 R N 1.697 122.243 120.500 0.077 0.000 2.340 341 R HA 0.271 4.610 4.340 -0.001 0.000 0.300 341 R C -0.548 175.831 176.300 0.131 0.000 1.069 341 R CA 0.110 56.282 56.100 0.121 0.000 0.984 341 R CB 0.157 30.540 30.300 0.138 0.000 1.003 341 R HN 0.478 nan 8.270 nan 0.000 0.459 342 I N 2.924 123.571 120.570 0.128 0.000 2.465 342 I HA 0.477 4.647 4.170 -0.001 0.000 0.291 342 I C -0.391 175.680 176.117 -0.076 0.000 1.014 342 I CA -1.068 60.216 61.300 -0.025 0.000 1.093 342 I CB 2.201 40.116 38.000 -0.142 0.000 1.267 342 I HN 0.621 nan 8.210 nan 0.000 0.431 343 A N 6.225 128.889 122.820 -0.260 0.000 2.288 343 A HA 0.740 5.060 4.320 -0.001 0.000 0.320 343 A C -1.424 175.891 177.584 -0.449 0.000 1.217 343 A CA -0.289 51.470 52.037 -0.463 0.000 0.840 343 A CB 0.431 19.087 19.000 -0.574 0.000 1.179 343 A HN 0.600 nan 8.150 nan 0.000 0.504 344 Y N 1.398 121.546 120.300 -0.254 0.000 2.360 344 Y HA 0.654 5.204 4.550 -0.001 0.000 0.337 344 Y C -0.142 175.680 175.900 -0.129 0.000 1.039 344 Y CA -0.298 57.653 58.100 -0.248 0.000 1.109 344 Y CB 1.606 39.953 38.460 -0.188 0.000 1.201 344 Y HN 0.722 nan 8.280 nan 0.000 0.458 345 F N -1.782 118.146 119.950 -0.037 0.000 2.693 345 F HA 0.742 5.269 4.527 -0.001 0.000 0.309 345 F C -1.269 174.525 175.800 -0.009 0.000 1.129 345 F CA -1.188 56.768 58.000 -0.072 0.000 0.948 345 F CB 1.236 40.150 39.000 -0.145 0.000 1.315 345 F HN 0.187 nan 8.300 nan 0.000 0.447 346 T N 3.159 117.826 114.554 0.189 0.000 2.807 346 T HA 0.709 5.059 4.350 -0.001 0.000 0.279 346 T C -0.470 174.345 174.700 0.191 0.000 0.993 346 T CA -0.563 61.608 62.100 0.119 0.000 0.970 346 T CB 1.347 70.256 68.868 0.069 0.000 0.950 346 T HN 0.574 nan 8.240 nan 0.000 0.441 347 L N 3.047 124.377 121.223 0.180 0.000 2.331 347 L HA 0.576 4.916 4.340 -0.001 0.000 0.268 347 L C -2.067 174.874 176.870 0.119 0.000 1.015 347 L CA -2.638 52.314 54.840 0.187 0.000 0.807 347 L CB 0.680 42.894 42.059 0.257 0.000 1.293 347 L HN 0.357 nan 8.230 nan 0.000 0.451 348 P HA 0.055 nan 4.420 nan 0.000 0.268 348 P C -1.182 176.155 177.300 0.060 0.000 1.208 348 P CA -0.167 62.972 63.100 0.065 0.000 0.777 348 P CB 0.337 32.067 31.700 0.050 0.000 0.875 349 K N 1.434 121.859 120.400 0.042 0.000 2.338 349 K HA 0.330 4.650 4.320 -0.001 0.000 0.290 349 K C -0.271 176.350 176.600 0.035 0.000 1.069 349 K CA 0.099 56.412 56.287 0.044 0.000 0.941 349 K CB 0.162 32.686 32.500 0.040 0.000 1.023 349 K HN 0.406 nan 8.250 nan 0.000 0.477 350 T N 2.033 116.613 114.554 0.044 0.000 2.876 350 T HA 0.269 4.618 4.350 -0.001 0.000 0.289 350 T C -0.973 173.756 174.700 0.048 0.000 1.014 350 T CA -1.019 61.102 62.100 0.036 0.000 0.986 350 T CB 1.446 70.323 68.868 0.014 0.000 1.021 350 T HN 0.382 nan 8.240 nan 0.000 0.458 351 D N 1.442 121.878 120.400 0.059 0.000 2.192 351 D HA 0.613 5.253 4.640 -0.001 0.000 0.246 351 D C -0.290 176.029 176.300 0.032 0.000 1.042 351 D CA -0.245 53.784 54.000 0.047 0.000 0.847 351 D CB 2.240 43.076 40.800 0.059 0.000 1.186 351 D HN 0.398 nan 8.370 nan 0.000 0.461 356 L N 1.458 122.716 121.223 0.059 0.000 2.578 356 L HA 0.238 4.578 4.340 -0.001 0.000 0.279 356 L C -0.662 176.258 176.870 0.084 0.000 1.227 356 L CA 1.303 56.207 54.840 0.106 0.000 0.900 356 L CB 0.192 42.339 42.059 0.148 0.000 1.144 356 L HN 0.653 nan 8.230 nan 0.000 0.496 357 M N 4.235 123.889 119.600 0.090 0.000 2.457 357 M HA 0.351 4.831 4.480 -0.001 0.000 0.300 357 M C -0.561 175.773 176.300 0.057 0.000 1.141 357 M CA -0.623 54.711 55.300 0.057 0.000 0.901 357 M CB 2.150 34.776 32.600 0.043 0.000 1.687 357 M HN 0.523 nan 8.290 nan 0.000 0.449 358 Q N 0.858 120.679 119.800 0.035 0.000 2.283 358 Q HA 0.160 4.499 4.340 -0.001 0.000 0.301 358 Q C 1.046 177.062 176.000 0.028 0.000 1.063 358 Q CA 1.472 57.292 55.803 0.028 0.000 0.952 358 Q CB 0.256 29.002 28.738 0.013 0.000 1.166 358 Q HN 1.084 nan 8.270 nan 0.000 0.381 359 G N 2.642 111.470 108.800 0.045 0.000 2.213 359 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.236 359 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.236 359 G C -0.196 174.761 174.900 0.095 0.000 0.991 359 G CA -0.062 45.057 45.100 0.032 0.000 0.629 359 G HN 0.641 nan 8.290 nan 0.000 0.517 360 D N 0.896 121.365 120.400 0.115 0.000 2.400 360 D HA 0.415 5.055 4.640 -0.001 0.000 0.238 360 D C 0.542 176.962 176.300 0.199 0.000 1.157 360 D CA 0.389 54.483 54.000 0.155 0.000 0.889 360 D CB 0.930 41.833 40.800 0.171 0.000 1.199 360 D HN 0.553 nan 8.370 nan 0.000 0.436 361 E N 0.759 121.065 120.200 0.176 0.000 2.175 361 E HA 0.507 4.856 4.350 -0.001 0.000 0.278 361 E C -0.918 175.659 176.600 -0.038 0.000 0.969 361 E CA -0.527 55.911 56.400 0.062 0.000 0.796 361 E CB 0.783 30.545 29.700 0.104 0.000 1.104 361 E HN 0.309 nan 8.360 nan 0.000 0.395 362 I N 3.875 124.352 120.570 -0.156 0.000 2.498 362 I HA 0.255 4.425 4.170 -0.001 0.000 0.290 362 I C -0.910 175.095 176.117 -0.186 0.000 1.032 362 I CA -0.928 60.251 61.300 -0.203 0.000 1.073 362 I CB 1.852 39.712 38.000 -0.233 0.000 1.251 362 I HN 0.604 nan 8.210 nan 0.000 0.426 363 C N 7.620 126.816 119.300 -0.174 0.000 2.265 363 C HA 0.586 5.045 4.460 -0.001 0.000 0.332 363 C C -0.377 174.529 174.990 -0.140 0.000 1.248 363 C CA -0.499 58.433 59.018 -0.143 0.000 1.727 363 C CB -0.068 27.609 27.740 -0.104 0.000 2.348 363 C HN 0.599 nan 8.230 nan 0.000 0.519 364 L N 7.577 128.741 121.223 -0.098 0.000 2.276 364 L HA 0.592 4.932 4.340 -0.001 0.000 0.286 364 L C -0.064 176.892 176.870 0.144 0.000 1.024 364 L CA 0.234 55.087 54.840 0.023 0.000 0.826 364 L CB 0.342 42.457 42.059 0.095 0.000 1.211 364 L HN 0.670 nan 8.230 nan 0.000 0.422 365 R N 3.863 124.470 120.500 0.178 0.000 2.393 365 R HA 0.317 4.656 4.340 -0.001 0.000 0.310 365 R C -1.468 175.011 176.300 0.299 0.000 0.968 365 R CA -0.802 55.401 56.100 0.172 0.000 0.867 365 R CB 1.510 31.824 30.300 0.023 0.000 1.124 365 R HN 0.513 nan 8.270 nan 0.000 0.450 366 Y N 2.511 122.930 120.300 0.197 0.000 2.336 366 Y HA 0.133 4.683 4.550 -0.001 0.000 0.335 366 Y C 0.237 176.053 175.900 -0.141 0.000 1.046 366 Y CA 0.019 57.975 58.100 -0.240 0.000 1.198 366 Y CB 0.834 39.162 38.460 -0.220 0.000 1.182 366 Y HN 0.501 nan 8.280 nan 0.000 0.502 367 K N 3.932 123.789 120.400 -0.906 0.000 2.520 367 K HA 0.233 4.553 4.320 -0.001 0.000 0.206 367 K C 0.667 176.833 176.600 -0.724 0.000 1.122 367 K CA 0.078 55.993 56.287 -0.620 0.000 1.045 367 K CB 0.887 33.214 32.500 -0.288 0.000 0.932 367 K HN 0.872 nan 8.250 nan 0.000 0.571 368 G N 1.608 109.616 108.800 -1.319 0.000 2.570 368 G HA2 -0.007 3.952 3.960 -0.001 0.000 0.276 368 G HA3 -0.007 3.952 3.960 -0.001 0.000 0.276 368 G C 0.184 174.854 174.900 -0.383 0.000 1.346 368 G CA -0.045 44.661 45.100 -0.656 0.000 1.034 368 G HN 0.223 nan 8.290 nan 0.000 0.512 369 D N -1.595 118.765 120.400 -0.066 0.000 2.513 369 D HA 0.033 4.672 4.640 -0.001 0.000 0.222 369 D C 1.684 178.041 176.300 0.096 0.000 1.210 369 D CA -0.215 53.792 54.000 0.013 0.000 0.825 369 D CB -0.118 40.674 40.800 -0.014 0.000 1.037 369 D HN 0.274 nan 8.370 nan 0.000 0.506 370 L N -0.110 121.227 121.223 0.189 0.000 2.551 370 L HA 0.389 4.729 4.340 -0.001 0.000 0.228 370 L C 1.016 177.965 176.870 0.131 0.000 1.153 370 L CA 0.573 55.502 54.840 0.148 0.000 0.851 370 L CB -0.176 41.968 42.059 0.143 0.000 0.959 370 L HN 0.236 nan 8.230 nan 0.000 0.451 371 A N -1.059 121.907 122.820 0.244 0.000 2.483 371 A HA 0.708 5.027 4.320 -0.001 0.000 0.306 371 A C -2.726 175.007 177.584 0.247 0.000 1.137 371 A CA -0.684 51.460 52.037 0.178 0.000 0.626 371 A CB 0.351 19.371 19.000 0.033 0.000 1.352 371 A HN -0.154 nan 8.150 nan 0.000 0.508 372 P HA 0.657 nan 4.420 nan 0.000 0.286 372 P C -1.032 176.414 177.300 0.242 0.000 1.292 372 P CA -0.698 62.499 63.100 0.163 0.000 0.842 372 P CB 0.360 32.124 31.700 0.106 0.000 1.207 373 L N 0.344 121.656 121.223 0.149 0.000 2.584 373 L HA 0.161 4.501 4.340 -0.001 0.000 0.272 373 L C 0.175 177.196 176.870 0.252 0.000 1.195 373 L CA 0.606 55.533 54.840 0.144 0.000 0.920 373 L CB -0.616 41.471 42.059 0.047 0.000 1.173 373 L HN 0.458 nan 8.230 nan 0.000 0.489 374 W N 5.850 127.212 121.300 0.104 0.000 3.138 374 W HA 0.581 5.241 4.660 -0.001 0.000 0.331 374 W C -1.094 175.499 176.519 0.124 0.000 1.166 374 W CA -1.008 56.405 57.345 0.114 0.000 1.212 374 W CB 1.291 30.836 29.460 0.142 0.000 1.399 374 W HN 0.350 nan 8.180 nan 0.000 0.514 375 K N 4.081 123.868 120.400 -1.021 0.000 2.468 375 K HA 0.794 5.114 4.320 -0.001 0.000 0.252 375 K C -0.977 174.713 176.600 -1.516 0.000 0.932 375 K CA -0.798 54.930 56.287 -0.932 0.000 0.794 375 K CB 1.826 34.073 32.500 -0.422 0.000 1.241 375 K HN 0.735 nan 8.250 nan 0.000 0.428 376 G N 3.836 111.969 108.800 -1.113 0.000 2.682 376 G HA2 0.477 4.436 3.960 -0.001 0.000 0.300 376 G HA3 0.477 4.436 3.960 -0.001 0.000 0.300 376 G C -1.193 173.568 174.900 -0.232 0.000 1.391 376 G CA -0.656 44.071 45.100 -0.622 0.000 0.990 376 G HN 0.418 nan 8.290 nan 0.000 0.501 377 I N 1.095 121.573 120.570 -0.154 0.000 2.428 377 I HA 0.699 4.869 4.170 -0.001 0.000 0.296 377 I C 0.796 176.813 176.117 -0.167 0.000 0.985 377 I CA -0.305 60.897 61.300 -0.163 0.000 1.260 377 I CB 1.065 38.970 38.000 -0.158 0.000 1.389 377 I HN 0.651 nan 8.210 nan 0.000 0.484 378 G N 4.618 113.245 108.800 -0.288 0.000 2.695 378 G HA2 0.645 4.605 3.960 -0.001 0.000 0.290 378 G HA3 0.645 4.605 3.960 -0.001 0.000 0.290 378 G C -1.783 172.812 174.900 -0.508 0.000 1.410 378 G CA -0.484 44.455 45.100 -0.268 0.000 0.844 378 G HN 0.616 nan 8.290 nan 0.000 0.478 379 H N -1.433 117.637 119.070 -0.000 0.000 2.690 379 H HA 0.496 5.052 4.556 -0.001 0.000 0.368 379 H C -0.267 175.048 175.328 -0.021 0.000 1.150 379 H CA -0.742 55.301 56.048 -0.009 0.000 1.174 379 H CB 2.378 32.130 29.762 -0.016 0.000 1.684 379 H HN 0.342 nan 8.280 nan 0.000 0.538 380 V N 4.240 124.215 119.914 0.103 0.000 2.521 380 V HA -0.022 4.098 4.120 -0.001 0.000 0.286 380 V C 1.252 177.353 176.094 0.013 0.000 1.034 380 V CA 0.632 62.949 62.300 0.028 0.000 1.045 380 V CB -0.199 31.649 31.823 0.042 0.000 0.974 380 V HN 0.761 nan 8.190 nan 0.000 0.480 381 I N 1.375 121.923 120.570 -0.037 0.000 4.154 381 I HA 0.510 4.680 4.170 -0.001 0.000 0.334 381 I C 0.502 176.597 176.117 -0.035 0.000 1.371 381 I CA 0.136 61.417 61.300 -0.032 0.000 1.110 381 I CB 0.238 38.213 38.000 -0.041 0.000 1.085 381 I HN 0.484 nan 8.210 nan 0.000 0.398 382 K N 2.426 122.793 120.400 -0.054 0.000 2.565 382 K HA 0.519 4.838 4.320 -0.001 0.000 0.251 382 K C -0.994 175.586 176.600 -0.032 0.000 0.956 382 K CA -0.634 55.639 56.287 -0.022 0.000 0.809 382 K CB 3.001 35.503 32.500 0.004 0.000 1.267 382 K HN 0.098 nan 8.250 nan 0.000 0.438 383 V N 0.456 120.374 119.914 0.007 0.000 3.193 383 V HA 0.710 4.830 4.120 -0.001 0.000 0.320 383 V C -2.684 173.429 176.094 0.031 0.000 1.112 383 V CA -2.597 59.710 62.300 0.013 0.000 1.026 383 V CB 1.105 32.947 31.823 0.032 0.000 1.128 383 V HN 0.615 nan 8.190 nan 0.000 0.452 384 P HA 0.363 nan 4.420 nan 0.000 0.271 384 P C -1.368 175.965 177.300 0.054 0.000 1.220 384 P CA 0.451 63.577 63.100 0.043 0.000 0.768 384 P CB 0.383 32.109 31.700 0.043 0.000 0.848 385 D N 1.000 121.437 120.400 0.062 0.000 3.455 385 D HA 0.129 4.769 4.640 -0.001 0.000 0.320 385 D C 0.221 176.519 176.300 -0.003 0.000 1.401 385 D CA -0.358 53.674 54.000 0.053 0.000 0.982 385 D CB -0.501 40.360 40.800 0.101 0.000 1.397 385 D HN -0.081 nan 8.370 nan 0.000 0.607 386 N N -1.764 116.870 118.700 -0.109 0.000 2.515 386 N HA 0.057 4.797 4.740 -0.001 0.000 0.185 386 N C 0.183 175.405 175.510 -0.480 0.000 1.109 386 N CA 0.586 53.450 53.050 -0.309 0.000 0.903 386 N CB -0.189 38.040 38.487 -0.429 0.000 0.969 386 N HN 0.304 nan 8.380 nan 0.000 0.450 387 Y N -0.790 119.520 120.300 0.018 0.000 2.457 387 Y HA 0.439 4.988 4.550 -0.001 0.000 0.263 387 Y C 1.448 177.344 175.900 -0.008 0.000 1.164 387 Y CA 0.046 58.148 58.100 0.004 0.000 1.274 387 Y CB 0.360 38.823 38.460 0.004 0.000 1.097 387 Y HN -0.046 nan 8.280 nan 0.000 0.523 388 G N -0.367 108.477 108.800 0.073 0.000 2.347 388 G HA2 -0.140 3.820 3.960 -0.001 0.000 0.341 388 G HA3 -0.140 3.820 3.960 -0.001 0.000 0.341 388 G C -0.660 174.265 174.900 0.042 0.000 1.287 388 G CA -0.473 44.651 45.100 0.042 0.000 0.984 388 G HN 0.036 nan 8.290 nan 0.000 0.526 389 D N 0.399 120.816 120.400 0.028 0.000 2.340 389 D HA 0.058 4.698 4.640 -0.001 0.000 0.220 389 D C 0.644 176.952 176.300 0.013 0.000 1.039 389 D CA 0.522 54.540 54.000 0.029 0.000 0.866 389 D CB 0.573 41.392 40.800 0.032 0.000 0.913 389 D HN 0.463 nan 8.370 nan 0.000 0.523 390 E N 0.850 121.055 120.200 0.009 0.000 2.360 390 E HA 0.232 4.582 4.350 -0.001 0.000 0.269 390 E C 0.140 176.692 176.600 -0.080 0.000 1.022 390 E CA -0.063 56.324 56.400 -0.022 0.000 0.887 390 E CB 1.599 31.324 29.700 0.041 0.000 0.990 390 E HN 0.077 nan 8.360 nan 0.000 0.426 391 I N 2.081 122.474 120.570 -0.296 0.000 2.440 391 I HA 0.335 4.504 4.170 -0.001 0.000 0.294 391 I C -0.011 175.725 176.117 -0.634 0.000 0.995 391 I CA -0.325 60.706 61.300 -0.449 0.000 1.306 391 I CB 1.362 39.000 38.000 -0.604 0.000 1.407 391 I HN 0.458 nan 8.210 nan 0.000 0.501 392 A N 7.383 129.929 122.820 -0.456 0.000 2.371 392 A HA 0.848 5.167 4.320 -0.001 0.000 0.311 392 A C -0.672 176.692 177.584 -0.367 0.000 1.068 392 A CA -0.551 51.137 52.037 -0.582 0.000 0.744 392 A CB 1.081 19.674 19.000 -0.678 0.000 1.239 392 A HN 0.702 nan 8.150 nan 0.000 0.435 393 I N -1.214 119.180 120.570 -0.294 0.000 2.646 393 I HA 0.684 4.854 4.170 -0.001 0.000 0.299 393 I C -0.262 175.795 176.117 -0.101 0.000 1.036 393 I CA -0.634 60.594 61.300 -0.120 0.000 1.074 393 I CB 2.072 40.065 38.000 -0.012 0.000 1.258 393 I HN 0.663 nan 8.210 nan 0.000 0.430 394 E N 5.704 125.886 120.200 -0.031 0.000 2.109 394 E HA 0.417 4.767 4.350 -0.001 0.000 0.278 394 E C -0.995 175.636 176.600 0.051 0.000 0.954 394 E CA -0.787 55.621 56.400 0.013 0.000 0.779 394 E CB 1.245 30.964 29.700 0.032 0.000 1.093 394 E HN 0.617 nan 8.360 nan 0.000 0.401 395 L N 4.716 125.989 121.223 0.084 0.000 2.453 395 L HA 0.131 4.471 4.340 -0.001 0.000 0.272 395 L C 1.999 178.927 176.870 0.097 0.000 1.182 395 L CA -0.202 54.702 54.840 0.107 0.000 0.858 395 L CB 0.328 42.507 42.059 0.200 0.000 1.120 395 L HN 0.624 nan 8.230 nan 0.000 0.474 396 R N 1.170 121.718 120.500 0.080 0.000 2.082 396 R HA -0.117 4.222 4.340 -0.001 0.000 0.234 396 R C 0.948 177.295 176.300 0.079 0.000 1.136 396 R CA 1.540 57.695 56.100 0.092 0.000 0.935 396 R CB -0.085 30.262 30.300 0.077 0.000 0.842 396 R HN 0.689 nan 8.270 nan 0.000 0.430 397 S N -0.538 115.214 115.700 0.087 0.000 2.480 397 S HA 0.098 4.568 4.470 -0.001 0.000 0.286 397 S C 0.925 175.594 174.600 0.115 0.000 1.180 397 S CA -0.433 57.820 58.200 0.088 0.000 1.075 397 S CB 1.838 65.090 63.200 0.088 0.000 0.996 397 S HN 0.243 nan 8.310 nan 0.000 0.487 398 S N 4.002 119.749 115.700 0.078 0.000 2.383 398 S HA -0.017 4.452 4.470 -0.001 0.000 0.227 398 S C 0.549 175.182 174.600 0.054 0.000 1.026 398 S CA 0.697 58.933 58.200 0.060 0.000 0.981 398 S CB -0.459 62.757 63.200 0.027 0.000 0.818 398 S HN 0.673 nan 8.310 nan 0.000 0.472 399 V N 2.164 122.117 119.914 0.066 0.000 2.493 399 V HA 0.426 4.545 4.120 -0.001 0.000 0.292 399 V C 1.599 177.751 176.094 0.096 0.000 1.016 399 V CA 0.543 62.876 62.300 0.053 0.000 1.097 399 V CB -0.344 31.510 31.823 0.051 0.000 0.947 399 V HN 0.697 nan 8.190 nan 0.000 0.479 400 G N 3.673 112.475 108.800 0.002 0.000 2.148 400 G HA2 -0.121 3.839 3.960 -0.001 0.000 0.254 400 G HA3 -0.121 3.839 3.960 -0.001 0.000 0.254 400 G C 0.395 175.131 174.900 -0.272 0.000 0.981 400 G CA 0.071 45.149 45.100 -0.037 0.000 0.670 400 G HN 1.640 nan 8.290 nan 0.000 0.528 401 A N 0.990 123.605 122.820 -0.342 0.000 2.522 401 A HA 0.563 4.883 4.320 -0.001 0.000 0.256 401 A C -0.463 176.502 177.584 -1.031 0.000 1.086 401 A CA -0.248 51.312 52.037 -0.795 0.000 0.763 401 A CB 0.279 18.951 19.000 -0.547 0.000 1.024 401 A HN 0.249 nan 8.150 nan 0.000 0.502 402 P HA 0.031 nan 4.420 nan 0.000 0.262 402 P C 1.142 177.865 177.300 -0.961 0.000 1.647 402 P CA -0.023 62.561 63.100 -0.860 0.000 0.865 402 P CB -0.320 30.970 31.700 -0.684 0.000 1.834 403 V N 0.757 119.881 119.914 -1.317 0.000 2.357 403 V HA -0.287 3.833 4.120 -0.001 0.000 0.257 403 V C 2.107 177.816 176.094 -0.640 0.000 1.082 403 V CA 2.194 63.657 62.300 -1.396 0.000 1.078 403 V CB -1.114 30.260 31.823 -0.748 0.000 0.663 403 V HN 0.279 nan 8.190 nan 0.000 0.455 404 E N -0.733 119.240 120.200 -0.378 0.000 2.285 404 E HA 0.039 4.389 4.350 -0.001 0.000 0.194 404 E C 0.428 177.013 176.600 -0.025 0.000 0.997 404 E CA 0.176 56.486 56.400 -0.151 0.000 0.845 404 E CB -0.085 29.530 29.700 -0.141 0.000 0.782 404 E HN 0.530 nan 8.360 nan 0.000 0.491 405 V N -0.346 119.562 119.914 -0.009 0.000 2.732 405 V HA 0.307 4.427 4.120 -0.001 0.000 0.310 405 V C 0.772 177.138 176.094 0.453 0.000 1.053 405 V CA -0.296 62.071 62.300 0.111 0.000 0.957 405 V CB 1.959 33.666 31.823 -0.195 0.000 1.018 405 V HN -0.002 nan 8.190 nan 0.000 0.452 406 T N 0.028 114.863 114.554 0.469 0.000 3.048 406 T HA 0.216 4.566 4.350 -0.001 0.000 0.254 406 T C 0.055 175.024 174.700 0.448 0.000 0.942 406 T CA 0.262 62.639 62.100 0.462 0.000 0.931 406 T CB 0.093 69.170 68.868 0.348 0.000 1.220 406 T HN 0.740 nan 8.240 nan 0.000 0.503 407 H N 1.558 120.850 119.070 0.370 0.000 2.544 407 H HA 0.540 5.096 4.556 -0.001 0.000 0.342 407 H C 0.209 175.739 175.328 0.337 0.000 1.185 407 H CA -0.588 55.645 56.048 0.308 0.000 1.264 407 H CB 0.593 30.466 29.762 0.186 0.000 1.607 407 H HN -0.045 nan 8.280 nan 0.000 0.550 408 N N 0.238 119.125 118.700 0.311 0.000 2.816 408 N HA -0.191 4.549 4.740 -0.001 0.000 0.247 408 N C -1.384 174.124 175.510 -0.004 0.000 1.100 408 N CA 0.454 53.568 53.050 0.107 0.000 0.687 408 N CB -1.549 36.925 38.487 -0.021 0.000 1.003 408 N HN 0.309 nan 8.380 nan 0.000 0.554 409 F N 0.839 120.854 119.950 0.109 0.000 2.399 409 F HA 0.408 4.935 4.527 -0.001 0.000 0.328 409 F C 1.109 176.889 175.800 -0.034 0.000 1.084 409 F CA -0.358 57.691 58.000 0.081 0.000 1.053 409 F CB 1.200 40.221 39.000 0.036 0.000 1.209 409 F HN -0.051 nan 8.300 nan 0.000 0.502 410 Q N 1.878 121.756 119.800 0.132 0.000 2.333 410 Q HA 0.622 4.961 4.340 -0.001 0.000 0.267 410 Q C -1.869 174.102 176.000 -0.049 0.000 1.012 410 Q CA -0.696 55.119 55.803 0.020 0.000 0.824 410 Q CB 2.027 30.765 28.738 -0.000 0.000 1.290 410 Q HN 0.540 nan 8.270 nan 0.000 0.449 411 V N 4.455 124.298 119.914 -0.119 0.000 2.384 411 V HA 0.394 4.513 4.120 -0.001 0.000 0.287 411 V C -0.658 175.344 176.094 -0.152 0.000 1.020 411 V CA -0.580 61.570 62.300 -0.250 0.000 0.850 411 V CB 1.721 33.301 31.823 -0.404 0.000 0.987 411 V HN 0.816 nan 8.190 nan 0.000 0.436 412 D N 3.478 123.762 120.400 -0.194 0.000 2.342 412 D HA 0.465 5.104 4.640 -0.001 0.000 0.243 412 D C -1.069 175.115 176.300 -0.194 0.000 1.019 412 D CA -0.239 53.725 54.000 -0.059 0.000 0.864 412 D CB 2.489 43.283 40.800 -0.009 0.000 1.315 412 D HN 0.284 nan 8.370 nan 0.000 0.468 413 F N 1.126 121.111 119.950 0.058 0.000 2.313 413 F HA 0.181 4.707 4.527 -0.001 0.000 0.369 413 F C 0.528 176.393 175.800 0.110 0.000 1.109 413 F CA -0.810 57.242 58.000 0.086 0.000 1.132 413 F CB 0.987 40.047 39.000 0.102 0.000 1.291 413 F HN -0.073 nan 8.300 nan 0.000 0.496 414 V N 3.328 123.350 119.914 0.180 0.000 2.529 414 V HA -0.151 3.969 4.120 -0.001 0.000 0.292 414 V C -0.135 176.114 176.094 0.257 0.000 1.028 414 V CA -0.457 61.948 62.300 0.176 0.000 1.074 414 V CB 0.034 31.907 31.823 0.083 0.000 0.958 414 V HN 0.745 nan 8.190 nan 0.000 0.481 415 W N 6.689 128.051 121.300 0.103 0.000 2.365 415 W HA 0.512 5.172 4.660 -0.001 0.000 0.316 415 W C -0.020 176.561 176.519 0.103 0.000 1.164 415 W CA -0.723 56.689 57.345 0.112 0.000 1.204 415 W CB 0.747 30.262 29.460 0.092 0.000 1.213 415 W HN 0.467 nan 8.180 nan 0.000 0.539 416 K N 3.363 123.350 120.400 -0.689 0.000 2.316 416 K HA 0.254 4.574 4.320 -0.001 0.000 0.251 416 K C 0.589 176.417 176.600 -1.287 0.000 0.934 416 K CA -0.478 55.388 56.287 -0.701 0.000 0.802 416 K CB 1.972 34.279 32.500 -0.321 0.000 1.171 416 K HN 0.498 nan 8.250 nan 0.000 0.426 417 S N 0.185 115.348 115.700 -0.895 0.000 2.527 417 S HA -0.091 4.378 4.470 -0.001 0.000 0.222 417 S C 1.354 175.862 174.600 -0.153 0.000 0.985 417 S CA 0.831 58.711 58.200 -0.532 0.000 0.921 417 S CB -0.376 62.782 63.200 -0.071 0.000 0.772 417 S HN 0.598 nan 8.310 nan 0.000 0.529 418 T N 3.450 117.877 114.554 -0.211 0.000 2.620 418 T HA -0.231 4.118 4.350 -0.001 0.000 0.267 418 T C 2.274 176.890 174.700 -0.139 0.000 1.044 418 T CA 2.432 64.449 62.100 -0.137 0.000 1.161 418 T CB -1.035 67.744 68.868 -0.148 0.000 0.862 418 T HN 0.833 nan 8.240 nan 0.000 0.438 419 S N 1.191 116.740 115.700 -0.253 0.000 2.383 419 S HA -0.043 4.426 4.470 -0.001 0.000 0.227 419 S C 1.876 176.271 174.600 -0.342 0.000 1.026 419 S CA 0.881 58.871 58.200 -0.349 0.000 0.981 419 S CB -0.968 61.930 63.200 -0.503 0.000 0.818 419 S HN 0.508 nan 8.310 nan 0.000 0.472 420 F N 2.725 122.659 119.950 -0.027 0.000 2.146 420 F HA 0.011 4.538 4.527 -0.001 0.000 0.298 420 F C 2.477 178.292 175.800 0.025 0.000 1.096 420 F CA 1.071 59.090 58.000 0.031 0.000 1.275 420 F CB -0.515 38.550 39.000 0.109 0.000 1.008 420 F HN 0.145 nan 8.300 nan 0.000 0.480 421 D N 0.390 120.886 120.400 0.160 0.000 2.104 421 D HA -0.147 4.493 4.640 -0.001 0.000 0.194 421 D C 2.261 178.589 176.300 0.047 0.000 0.994 421 D CA 1.151 55.208 54.000 0.094 0.000 0.830 421 D CB -0.481 40.352 40.800 0.054 0.000 0.959 421 D HN 0.294 nan 8.370 nan 0.000 0.452 422 R N -0.045 120.454 120.500 -0.000 0.000 2.096 422 R HA 0.003 4.343 4.340 -0.001 0.000 0.235 422 R C 2.492 178.782 176.300 -0.016 0.000 1.127 422 R CA 0.813 56.899 56.100 -0.024 0.000 0.968 422 R CB -0.207 30.055 30.300 -0.064 0.000 0.861 422 R HN 0.253 nan 8.270 nan 0.000 0.440 423 M N 0.242 119.836 119.600 -0.010 0.000 2.132 423 M HA -0.154 4.326 4.480 -0.001 0.000 0.263 423 M C 2.221 178.548 176.300 0.045 0.000 1.065 423 M CA 1.438 56.740 55.300 0.003 0.000 1.122 423 M CB -0.113 32.498 32.600 0.018 0.000 1.365 423 M HN 0.037 nan 8.290 nan 0.000 0.411 424 Q N -0.500 119.349 119.800 0.081 0.000 2.124 424 Q HA -0.141 4.199 4.340 -0.001 0.000 0.202 424 Q C 2.223 178.265 176.000 0.069 0.000 0.977 424 Q CA 1.863 57.720 55.803 0.090 0.000 0.850 424 Q CB -0.544 28.257 28.738 0.106 0.000 0.901 424 Q HN 0.492 nan 8.270 nan 0.000 0.429 425 S N 0.212 115.943 115.700 0.051 0.000 2.395 425 S HA -0.013 4.457 4.470 -0.001 0.000 0.225 425 S C 1.992 176.615 174.600 0.038 0.000 1.027 425 S CA 0.928 59.151 58.200 0.039 0.000 0.965 425 S CB -0.005 63.211 63.200 0.026 0.000 0.812 425 S HN 0.357 nan 8.310 nan 0.000 0.482 426 A N 1.617 124.453 122.820 0.027 0.000 1.969 426 A HA 0.127 4.447 4.320 -0.001 0.000 0.218 426 A C 2.207 179.838 177.584 0.078 0.000 1.169 426 A CA 1.251 53.301 52.037 0.022 0.000 0.635 426 A CB -0.744 18.241 19.000 -0.026 0.000 0.810 426 A HN 0.585 nan 8.150 nan 0.000 0.445 427 L N -0.702 120.580 121.223 0.099 0.000 2.046 427 L HA -0.204 4.135 4.340 -0.001 0.000 0.208 427 L C 2.631 179.585 176.870 0.139 0.000 1.077 427 L CA 1.954 56.901 54.840 0.179 0.000 0.747 427 L CB -0.463 41.687 42.059 0.152 0.000 0.896 427 L HN 0.463 nan 8.230 nan 0.000 0.432 428 K N -0.099 120.349 120.400 0.080 0.000 2.002 428 K HA -0.235 4.085 4.320 -0.001 0.000 0.209 428 K C 2.224 178.831 176.600 0.012 0.000 1.048 428 K CA 2.134 58.441 56.287 0.034 0.000 0.930 428 K CB -0.207 32.314 32.500 0.035 0.000 0.714 428 K HN 0.293 nan 8.250 nan 0.000 0.438 429 T N -0.667 113.913 114.554 0.043 0.000 2.867 429 T HA -0.169 4.181 4.350 -0.001 0.000 0.268 429 T C 1.728 176.487 174.700 0.098 0.000 1.057 429 T CA 0.966 63.091 62.100 0.042 0.000 1.136 429 T CB -0.403 68.487 68.868 0.038 0.000 0.874 429 T HN 0.282 nan 8.240 nan 0.000 0.466 430 F N 2.419 122.333 119.950 -0.060 0.000 2.161 430 F HA 0.150 4.677 4.527 -0.001 0.000 0.300 430 F C 2.489 178.232 175.800 -0.095 0.000 1.089 430 F CA 0.578 58.539 58.000 -0.065 0.000 1.282 430 F CB -1.165 37.788 39.000 -0.079 0.000 1.010 430 F HN 0.328 nan 8.300 nan 0.000 0.485 431 A N -0.678 121.993 122.820 -0.248 0.000 1.872 431 A HA -0.045 4.274 4.320 -0.001 0.000 0.214 431 A C 2.315 179.575 177.584 -0.541 0.000 1.187 431 A CA 1.856 53.500 52.037 -0.655 0.000 0.614 431 A CB -1.133 17.337 19.000 -0.883 0.000 0.826 431 A HN 0.206 nan 8.150 nan 0.000 0.442 432 V N 0.114 119.867 119.914 -0.269 0.000 2.725 432 V HA 0.004 4.124 4.120 -0.001 0.000 0.247 432 V C 0.407 176.456 176.094 -0.075 0.000 1.058 432 V CA 1.283 63.508 62.300 -0.125 0.000 1.080 432 V CB -0.260 31.520 31.823 -0.073 0.000 0.713 432 V HN 0.553 nan 8.190 nan 0.000 0.465 433 D N 0.622 120.992 120.400 -0.050 0.000 2.392 433 D HA 0.117 4.756 4.640 -0.001 0.000 0.228 433 D C 1.248 177.547 176.300 -0.001 0.000 1.074 433 D CA -0.404 53.588 54.000 -0.013 0.000 0.838 433 D CB 1.247 42.049 40.800 0.003 0.000 1.067 433 D HN 0.320 nan 8.370 nan 0.000 0.511 434 E N 2.042 122.244 120.200 0.003 0.000 2.482 434 E HA -0.109 4.241 4.350 -0.001 0.000 0.196 434 E C 0.751 177.346 176.600 -0.008 0.000 1.047 434 E CA 0.617 56.995 56.400 -0.037 0.000 0.869 434 E CB -0.383 29.296 29.700 -0.035 0.000 0.836 434 E HN 0.426 nan 8.360 nan 0.000 0.520 435 T N -1.687 112.879 114.554 0.020 0.000 3.086 435 T HA 0.068 4.417 4.350 -0.001 0.000 0.250 435 T C 1.814 176.537 174.700 0.038 0.000 1.074 435 T CA 0.468 62.582 62.100 0.024 0.000 0.988 435 T CB -0.005 68.875 68.868 0.020 0.000 0.988 435 T HN 0.174 nan 8.240 nan 0.000 0.530 436 S N 1.339 117.072 115.700 0.055 0.000 2.436 436 S HA 0.183 4.652 4.470 -0.001 0.000 0.228 436 S C 0.760 175.409 174.600 0.082 0.000 1.014 436 S CA 0.246 58.488 58.200 0.069 0.000 0.950 436 S CB -0.613 62.639 63.200 0.087 0.000 0.784 436 S HN 0.922 nan 8.310 nan 0.000 0.504 437 V N 0.028 120.009 119.914 0.111 0.000 3.087 437 V HA 0.772 4.892 4.120 -0.001 0.000 0.306 437 V C -0.236 175.932 176.094 0.123 0.000 1.187 437 V CA -0.562 61.807 62.300 0.115 0.000 0.999 437 V CB 1.516 33.419 31.823 0.133 0.000 1.049 437 V HN 0.461 nan 8.190 nan 0.000 0.431 438 S N 2.801 118.575 115.700 0.124 0.000 2.576 438 S HA 0.381 4.851 4.470 -0.001 0.000 0.272 438 S C 1.513 176.221 174.600 0.181 0.000 1.352 438 S CA 0.351 58.632 58.200 0.135 0.000 1.021 438 S CB 0.827 64.116 63.200 0.148 0.000 0.887 438 S HN 2.177 nan 8.310 nan 0.000 0.542 439 G N 0.965 109.863 108.800 0.163 0.000 2.513 439 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.219 439 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.219 439 G C 1.098 176.211 174.900 0.356 0.000 1.160 439 G CA 1.326 46.565 45.100 0.231 0.000 0.767 439 G HN 0.902 nan 8.290 nan 0.000 0.571 440 Y N 1.127 121.546 120.300 0.199 0.000 2.097 440 Y HA -0.190 4.360 4.550 -0.001 0.000 0.282 440 Y C 2.749 178.748 175.900 0.165 0.000 1.152 440 Y CA 1.716 59.922 58.100 0.176 0.000 1.136 440 Y CB -0.049 38.471 38.460 0.100 0.000 0.975 440 Y HN 0.128 nan 8.280 nan 0.000 0.498 441 I N -0.614 120.138 120.570 0.304 0.000 2.252 441 I HA -0.314 3.856 4.170 -0.001 0.000 0.245 441 I C 2.270 178.431 176.117 0.073 0.000 1.102 441 I CA 1.610 63.019 61.300 0.182 0.000 1.385 441 I CB -1.773 36.316 38.000 0.148 0.000 1.064 441 I HN 0.356 nan 8.210 nan 0.000 0.414 442 Y N 2.262 122.567 120.300 0.010 0.000 2.040 442 Y HA -0.331 4.218 4.550 -0.001 0.000 0.275 442 Y C 3.021 178.787 175.900 -0.224 0.000 1.171 442 Y CA 2.183 60.252 58.100 -0.052 0.000 1.123 442 Y CB -0.512 37.857 38.460 -0.151 0.000 0.963 442 Y HN 0.226 nan 8.280 nan 0.000 0.493 443 H N -0.576 118.494 119.070 -0.000 0.000 2.389 443 H HA -0.095 4.460 4.556 -0.001 0.000 0.299 443 H C 2.186 177.319 175.328 -0.324 0.000 1.081 443 H CA 1.665 57.605 56.048 -0.181 0.000 1.345 443 H CB -0.106 29.701 29.762 0.076 0.000 1.393 443 H HN 0.222 nan 8.280 nan 0.000 0.520 444 K N 1.197 121.474 120.400 -0.205 0.000 2.026 444 K HA -0.054 4.265 4.320 -0.001 0.000 0.208 444 K C 2.358 178.861 176.600 -0.162 0.000 1.048 444 K CA 0.661 56.817 56.287 -0.218 0.000 0.929 444 K CB -0.433 31.902 32.500 -0.275 0.000 0.713 444 K HN 0.142 nan 8.250 nan 0.000 0.439 445 L N 0.177 121.291 121.223 -0.182 0.000 2.131 445 L HA -0.124 4.216 4.340 -0.001 0.000 0.210 445 L C 1.781 178.541 176.870 -0.184 0.000 1.092 445 L CA 0.861 55.593 54.840 -0.180 0.000 0.759 445 L CB -0.248 41.665 42.059 -0.243 0.000 0.903 445 L HN 0.170 nan 8.230 nan 0.000 0.435 446 L N -0.606 120.423 121.223 -0.324 0.000 2.592 446 L HA 0.178 4.517 4.340 -0.001 0.000 0.227 446 L C 1.349 178.163 176.870 -0.093 0.000 1.127 446 L CA 0.453 55.118 54.840 -0.292 0.000 0.884 446 L CB -0.228 41.399 42.059 -0.721 0.000 1.065 446 L HN 0.458 nan 8.230 nan 0.000 0.457 447 G N -0.315 108.442 108.800 -0.071 0.000 2.136 447 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.242 447 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.242 447 G C 0.098 175.093 174.900 0.158 0.000 0.989 447 G CA -0.180 44.956 45.100 0.060 0.000 0.682 447 G HN 0.527 nan 8.290 nan 0.000 0.522 448 H N 0.370 119.466 119.070 0.044 0.000 2.607 448 H HA 0.389 4.945 4.556 -0.001 0.000 0.367 448 H C 0.003 175.333 175.328 0.003 0.000 1.181 448 H CA -0.751 55.326 56.048 0.049 0.000 1.402 448 H CB 0.689 30.526 29.762 0.125 0.000 1.474 448 H HN 0.114 nan 8.280 nan 0.000 0.596 449 E N 2.113 122.386 120.200 0.122 0.000 2.265 449 E HA 0.110 4.459 4.350 -0.001 0.000 0.272 449 E C -0.686 175.920 176.600 0.010 0.000 1.067 449 E CA -0.134 56.292 56.400 0.044 0.000 0.900 449 E CB 0.665 30.377 29.700 0.020 0.000 1.017 449 E HN 0.240 nan 8.360 nan 0.000 0.431 450 V N 1.742 121.647 119.914 -0.016 0.000 2.656 450 V HA 0.256 4.376 4.120 -0.001 0.000 0.307 450 V C 0.216 176.333 176.094 0.038 0.000 1.051 450 V CA -1.270 61.005 62.300 -0.043 0.000 0.893 450 V CB 1.943 33.639 31.823 -0.211 0.000 0.999 450 V HN 0.457 nan 8.190 nan 0.000 0.426 451 E N 2.290 122.531 120.200 0.068 0.000 2.392 451 E HA 0.146 4.495 4.350 -0.001 0.000 0.264 451 E C -0.270 176.447 176.600 0.196 0.000 1.024 451 E CA -0.079 56.380 56.400 0.100 0.000 0.903 451 E CB 0.483 30.226 29.700 0.072 0.000 0.963 451 E HN 0.705 nan 8.360 nan 0.000 0.432 452 D N 1.614 122.110 120.400 0.160 0.000 2.478 452 D HA 0.091 4.730 4.640 -0.001 0.000 0.234 452 D C -0.790 175.570 176.300 0.100 0.000 1.154 452 D CA 0.373 54.469 54.000 0.161 0.000 0.874 452 D CB 0.679 41.528 40.800 0.082 0.000 1.198 452 D HN 0.079 nan 8.370 nan 0.000 0.455 453 V N 2.792 122.694 119.914 -0.020 0.000 2.709 453 V HA 0.341 4.460 4.120 -0.001 0.000 0.308 453 V C 0.079 176.084 176.094 -0.148 0.000 1.062 453 V CA -0.792 61.444 62.300 -0.106 0.000 0.901 453 V CB 1.855 33.549 31.823 -0.216 0.000 1.003 453 V HN 0.319 nan 8.190 nan 0.000 0.425 454 I N 5.028 125.545 120.570 -0.089 0.000 2.325 454 I HA 0.354 4.524 4.170 -0.001 0.000 0.291 454 I C 0.043 176.107 176.117 -0.088 0.000 1.019 454 I CA -0.411 60.840 61.300 -0.082 0.000 1.302 454 I CB 0.993 38.966 38.000 -0.045 0.000 1.401 454 I HN 0.353 nan 8.210 nan 0.000 0.485 455 I N 6.925 127.434 120.570 -0.102 0.000 2.587 455 I HA 0.029 4.199 4.170 -0.001 0.000 0.284 455 I C 0.707 176.793 176.117 -0.052 0.000 1.134 455 I CA -0.158 61.093 61.300 -0.082 0.000 1.410 455 I CB 0.216 38.166 38.000 -0.083 0.000 1.392 455 I HN 0.490 nan 8.210 nan 0.000 0.545 456 K N 6.036 126.411 120.400 -0.040 0.000 2.451 456 K HA 0.222 4.542 4.320 -0.001 0.000 0.280 456 K C -0.209 176.375 176.600 -0.027 0.000 1.020 456 K CA 0.000 56.270 56.287 -0.029 0.000 1.008 456 K CB 0.874 33.361 32.500 -0.023 0.000 0.917 456 K HN 0.863 nan 8.250 nan 0.000 0.478 457 C N 0.565 119.851 119.300 -0.023 0.000 3.292 457 C HA 0.193 4.652 4.460 -0.001 0.000 0.368 457 C C -0.977 174.000 174.990 -0.022 0.000 1.141 457 C CA -1.090 57.915 59.018 -0.022 0.000 1.194 457 C CB 1.080 28.808 27.740 -0.021 0.000 1.533 457 C HN 0.923 nan 8.230 nan 0.000 0.532 458 Q N 2.337 122.120 119.800 -0.029 0.000 2.323 458 Q HA 0.545 4.884 4.340 -0.001 0.000 0.257 458 Q C -0.476 175.490 176.000 -0.056 0.000 1.022 458 Q CA -0.263 55.517 55.803 -0.038 0.000 0.919 458 Q CB 0.559 29.272 28.738 -0.040 0.000 1.220 458 Q HN 0.777 nan 8.270 nan 0.000 0.427 459 L N 6.869 128.058 121.223 -0.056 0.000 2.456 459 L HA 0.253 4.593 4.340 -0.001 0.000 0.272 459 L C -1.615 175.112 176.870 -0.237 0.000 1.189 459 L CA -1.682 53.097 54.840 -0.101 0.000 0.846 459 L CB 0.100 42.161 42.059 0.003 0.000 1.111 459 L HN 0.623 nan 8.230 nan 0.000 0.475 460 P HA 0.038 nan 4.420 nan 0.000 0.269 460 P C -0.142 176.850 177.300 -0.513 0.000 1.215 460 P CA -0.265 62.564 63.100 -0.452 0.000 0.780 460 P CB 0.847 32.166 31.700 -0.636 0.000 0.898 461 K N 0.878 121.105 120.400 -0.289 0.000 2.097 461 K HA -0.067 4.252 4.320 -0.001 0.000 0.206 461 K C 0.972 177.410 176.600 -0.271 0.000 1.049 461 K CA 1.258 57.414 56.287 -0.218 0.000 0.933 461 K CB 0.033 32.470 32.500 -0.106 0.000 0.717 461 K HN 0.427 nan 8.250 nan 0.000 0.442 462 R N -0.533 119.797 120.500 -0.283 0.000 2.621 462 R HA 0.220 4.560 4.340 -0.001 0.000 0.292 462 R C 0.071 176.201 176.300 -0.284 0.000 0.969 462 R CA -0.378 55.603 56.100 -0.198 0.000 0.887 462 R CB 1.083 31.365 30.300 -0.030 0.000 1.180 462 R HN -0.002 nan 8.270 nan 0.000 0.450 463 F N -0.119 119.862 119.950 0.052 0.000 2.473 463 F HA 0.039 4.566 4.527 -0.001 0.000 0.294 463 F C 1.309 177.261 175.800 0.252 0.000 1.103 463 F CA 0.410 58.466 58.000 0.093 0.000 1.442 463 F CB 0.452 39.455 39.000 0.005 0.000 1.097 463 F HN 0.311 nan 8.300 nan 0.000 0.547 464 T N 1.784 116.494 114.554 0.261 0.000 2.888 464 T HA 0.395 4.744 4.350 -0.001 0.000 0.301 464 T C 0.262 174.988 174.700 0.043 0.000 1.001 464 T CA -0.332 61.845 62.100 0.128 0.000 1.147 464 T CB 0.632 69.537 68.868 0.061 0.000 0.931 464 T HN 0.172 nan 8.240 nan 0.000 0.541 465 A N 4.278 127.022 122.820 -0.126 0.000 2.331 465 A HA 0.420 4.739 4.320 -0.001 0.000 0.283 465 A C 0.550 177.881 177.584 -0.422 0.000 1.142 465 A CA -0.923 50.807 52.037 -0.511 0.000 0.812 465 A CB 0.160 18.625 19.000 -0.892 0.000 1.074 465 A HN 0.897 nan 8.150 nan 0.000 0.497 466 Q N 1.512 121.053 119.800 -0.431 0.000 2.310 466 Q HA 0.346 4.686 4.340 -0.001 0.000 0.315 466 Q C 0.891 176.724 176.000 -0.278 0.000 1.081 466 Q CA 0.457 56.106 55.803 -0.257 0.000 0.981 466 Q CB 0.105 28.746 28.738 -0.163 0.000 1.184 466 Q HN 1.983 nan 8.270 nan 0.000 0.389 467 G N 2.099 110.793 108.800 -0.178 0.000 2.299 467 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.237 467 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.237 467 G C -0.019 174.797 174.900 -0.140 0.000 1.027 467 G CA 0.118 45.124 45.100 -0.156 0.000 0.619 467 G HN 0.540 nan 8.290 nan 0.000 0.513 468 L N 1.481 122.606 121.223 -0.163 0.000 2.332 468 L HA 0.587 4.926 4.340 -0.001 0.000 0.269 468 L C -1.876 174.934 176.870 -0.101 0.000 1.016 468 L CA -2.407 52.357 54.840 -0.126 0.000 0.809 468 L CB 1.222 43.197 42.059 -0.139 0.000 1.280 468 L HN -0.102 nan 8.230 nan 0.000 0.447 469 P HA 0.027 nan 4.420 nan 0.000 0.267 469 P C -1.223 176.035 177.300 -0.070 0.000 1.200 469 P CA -0.320 62.728 63.100 -0.087 0.000 0.772 469 P CB 0.237 31.868 31.700 -0.114 0.000 0.855 470 D N 1.553 121.919 120.400 -0.057 0.000 2.531 470 D HA -0.007 4.633 4.640 -0.001 0.000 0.239 470 D C 0.294 176.578 176.300 -0.026 0.000 1.144 470 D CA 0.354 54.339 54.000 -0.026 0.000 0.869 470 D CB 0.083 40.874 40.800 -0.015 0.000 1.160 470 D HN 0.076 nan 8.370 nan 0.000 0.484 471 L N 3.109 124.341 121.223 0.016 0.000 2.439 471 L HA 0.092 4.432 4.340 -0.001 0.000 0.269 471 L C 0.937 177.834 176.870 0.046 0.000 1.179 471 L CA -0.257 54.599 54.840 0.027 0.000 0.828 471 L CB 0.141 42.236 42.059 0.061 0.000 1.106 471 L HN 0.420 nan 8.230 nan 0.000 0.467 472 N N 0.692 119.433 118.700 0.068 0.000 2.405 472 N HA 0.024 4.764 4.740 -0.001 0.000 0.269 472 N C 1.028 176.605 175.510 0.112 0.000 1.249 472 N CA -0.038 53.086 53.050 0.123 0.000 0.974 472 N CB -0.048 38.567 38.487 0.213 0.000 1.204 472 N HN 0.621 nan 8.380 nan 0.000 0.565 473 H N -0.781 118.322 119.070 0.055 0.000 2.387 473 H HA -0.121 4.435 4.556 -0.001 0.000 0.299 473 H C 1.351 176.708 175.328 0.048 0.000 1.090 473 H CA 2.223 58.292 56.048 0.035 0.000 1.332 473 H CB -0.007 29.763 29.762 0.012 0.000 1.386 473 H HN 0.708 nan 8.280 nan 0.000 0.516 474 S N -0.051 115.665 115.700 0.027 0.000 2.436 474 S HA -0.105 4.364 4.470 -0.001 0.000 0.228 474 S C 2.014 176.616 174.600 0.004 0.000 1.014 474 S CA 0.783 58.984 58.200 0.001 0.000 0.950 474 S CB -0.156 63.090 63.200 0.076 0.000 0.784 474 S HN 0.502 nan 8.310 nan 0.000 0.504 475 Q N 0.720 120.524 119.800 0.007 0.000 2.123 475 Q HA 0.060 4.400 4.340 -0.001 0.000 0.199 475 Q C 2.284 178.241 176.000 -0.071 0.000 0.966 475 Q CA 1.351 57.154 55.803 -0.000 0.000 0.845 475 Q CB -0.392 28.364 28.738 0.030 0.000 0.907 475 Q HN 0.464 nan 8.270 nan 0.000 0.439 476 V N 0.176 120.014 119.914 -0.127 0.000 2.358 476 V HA -0.270 3.850 4.120 -0.001 0.000 0.246 476 V C 1.882 177.733 176.094 -0.404 0.000 1.047 476 V CA 1.761 63.902 62.300 -0.266 0.000 1.035 476 V CB -0.597 31.095 31.823 -0.217 0.000 0.658 476 V HN 0.387 nan 8.190 nan 0.000 0.452 477 Y N 1.537 121.563 120.300 -0.457 0.000 2.128 477 Y HA -0.263 4.286 4.550 -0.001 0.000 0.284 477 Y C 2.395 178.140 175.900 -0.258 0.000 1.154 477 Y CA 1.655 59.518 58.100 -0.395 0.000 1.149 477 Y CB -0.717 37.512 38.460 -0.385 0.000 0.976 477 Y HN 0.151 nan 8.280 nan 0.000 0.505 478 A N -0.503 122.180 122.820 -0.228 0.000 1.883 478 A HA -0.188 4.131 4.320 -0.001 0.000 0.217 478 A C 2.366 179.809 177.584 -0.235 0.000 1.186 478 A CA 2.369 54.273 52.037 -0.221 0.000 0.624 478 A CB -1.409 17.563 19.000 -0.046 0.000 0.822 478 A HN 0.349 nan 8.150 nan 0.000 0.444 479 V N 1.252 121.052 119.914 -0.190 0.000 2.295 479 V HA -0.317 3.802 4.120 -0.001 0.000 0.246 479 V C 2.615 178.603 176.094 -0.177 0.000 1.049 479 V CA 2.556 64.798 62.300 -0.097 0.000 1.024 479 V CB -0.862 30.986 31.823 0.043 0.000 0.648 479 V HN 0.891 nan 8.190 nan 0.000 0.447 480 K N -0.004 120.138 120.400 -0.431 0.000 2.103 480 K HA -0.122 4.197 4.320 -0.001 0.000 0.204 480 K C 1.956 178.392 176.600 -0.275 0.000 1.052 480 K CA 1.877 57.939 56.287 -0.374 0.000 0.945 480 K CB -0.664 31.419 32.500 -0.695 0.000 0.722 480 K HN 0.394 nan 8.250 nan 0.000 0.443 481 T N 1.044 115.345 114.554 -0.422 0.000 2.737 481 T HA -0.074 4.275 4.350 -0.001 0.000 0.265 481 T C 1.989 176.560 174.700 -0.215 0.000 1.038 481 T CA 1.235 63.109 62.100 -0.376 0.000 1.144 481 T CB -0.244 68.248 68.868 -0.627 0.000 0.866 481 T HN 0.029 nan 8.240 nan 0.000 0.434 482 V N 1.535 121.335 119.914 -0.190 0.000 2.392 482 V HA -0.100 4.019 4.120 -0.001 0.000 0.249 482 V C 2.380 178.436 176.094 -0.064 0.000 1.059 482 V CA 1.428 63.666 62.300 -0.103 0.000 1.051 482 V CB -0.558 31.221 31.823 -0.074 0.000 0.658 482 V HN 0.458 nan 8.190 nan 0.000 0.455 483 L N -0.827 120.366 121.223 -0.050 0.000 2.275 483 L HA -0.153 4.186 4.340 -0.001 0.000 0.215 483 L C 2.192 179.041 176.870 -0.036 0.000 1.119 483 L CA 1.230 56.061 54.840 -0.016 0.000 0.790 483 L CB -0.334 41.737 42.059 0.022 0.000 0.919 483 L HN 0.398 nan 8.230 nan 0.000 0.443 484 Q N -0.400 119.363 119.800 -0.061 0.000 2.282 484 Q HA 0.164 4.503 4.340 -0.001 0.000 0.206 484 Q C -0.194 175.753 176.000 -0.087 0.000 0.878 484 Q CA -0.016 55.748 55.803 -0.065 0.000 0.944 484 Q CB 0.662 29.363 28.738 -0.061 0.000 1.100 484 Q HN 0.433 nan 8.270 nan 0.000 0.509 485 R N -0.570 119.871 120.500 -0.099 0.000 2.854 485 R HA 0.292 4.632 4.340 -0.001 0.000 0.271 485 R C -2.242 173.968 176.300 -0.151 0.000 0.994 485 R CA -2.022 53.993 56.100 -0.140 0.000 0.945 485 R CB 0.664 30.895 30.300 -0.116 0.000 1.194 485 R HN -0.240 nan 8.270 nan 0.000 0.476 486 P HA -0.053 nan 4.420 nan 0.000 0.220 486 P C -0.436 176.833 177.300 -0.052 0.000 1.152 486 P CA 0.726 63.707 63.100 -0.198 0.000 0.812 486 P CB 0.393 31.840 31.700 -0.423 0.000 0.792 487 L N -1.288 119.930 121.223 -0.009 0.000 2.436 487 L HA 0.588 4.927 4.340 -0.001 0.000 0.268 487 L C -1.141 175.743 176.870 0.023 0.000 0.974 487 L CA -0.383 54.496 54.840 0.065 0.000 0.826 487 L CB 2.150 44.323 42.059 0.189 0.000 1.291 487 L HN -0.340 nan 8.230 nan 0.000 0.406 488 S N 4.727 120.423 115.700 -0.007 0.000 2.564 488 S HA 0.755 5.224 4.470 -0.001 0.000 0.274 488 S C -1.262 173.308 174.600 -0.050 0.000 1.124 488 S CA -0.725 57.457 58.200 -0.031 0.000 0.869 488 S CB 1.780 64.960 63.200 -0.034 0.000 1.105 488 S HN 0.570 nan 8.310 nan 0.000 0.472 489 L N 2.235 123.399 121.223 -0.099 0.000 2.334 489 L HA 0.670 5.010 4.340 -0.001 0.000 0.276 489 L C -1.039 175.846 176.870 0.024 0.000 1.014 489 L CA -0.748 54.010 54.840 -0.137 0.000 0.815 489 L CB 1.191 42.894 42.059 -0.594 0.000 1.268 489 L HN 0.529 nan 8.230 nan 0.000 0.428 490 I N 2.201 122.894 120.570 0.204 0.000 2.466 490 I HA 0.250 4.420 4.170 -0.001 0.000 0.289 490 I C -0.316 176.011 176.117 0.349 0.000 1.026 490 I CA -0.347 61.079 61.300 0.211 0.000 1.078 490 I CB 2.323 40.402 38.000 0.133 0.000 1.249 490 I HN 0.646 nan 8.210 nan 0.000 0.429 491 Q N 5.066 125.053 119.800 0.312 0.000 2.303 491 Q HA 0.500 4.840 4.340 -0.001 0.000 0.257 491 Q C -0.218 175.858 176.000 0.125 0.000 0.941 491 Q CA -0.546 55.432 55.803 0.292 0.000 0.931 491 Q CB 1.548 30.510 28.738 0.373 0.000 1.215 491 Q HN 0.868 nan 8.270 nan 0.000 0.437 492 G N 5.271 114.104 108.800 0.055 0.000 3.102 492 G HA2 0.388 4.347 3.960 -0.001 0.000 0.345 492 G HA3 0.388 4.347 3.960 -0.001 0.000 0.345 492 G C -2.683 172.173 174.900 -0.074 0.000 1.200 492 G CA -1.244 43.852 45.100 -0.007 0.000 1.163 492 G HN 0.506 nan 8.290 nan 0.000 0.465 493 P HA 0.126 nan 4.420 nan 0.000 0.270 493 P C -2.496 174.663 177.300 -0.236 0.000 1.227 493 P CA -1.048 61.836 63.100 -0.359 0.000 0.788 493 P CB 0.227 31.454 31.700 -0.787 0.000 0.926 494 P HA 0.008 nan 4.420 nan 0.000 0.264 494 P C 0.927 178.162 177.300 -0.108 0.000 1.183 494 P CA 1.523 64.554 63.100 -0.115 0.000 0.763 494 P CB -0.124 31.526 31.700 -0.085 0.000 0.807 495 G N 2.395 111.161 108.800 -0.057 0.000 2.162 495 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.260 495 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.260 495 G C 0.763 175.674 174.900 0.018 0.000 0.976 495 G CA 0.667 45.753 45.100 -0.023 0.000 0.655 495 G HN 0.651 nan 8.290 nan 0.000 0.533 496 T N -2.379 112.170 114.554 -0.008 0.000 3.086 496 T HA 0.468 4.818 4.350 -0.001 0.000 0.250 496 T C 1.978 176.729 174.700 0.085 0.000 1.074 496 T CA 1.252 63.373 62.100 0.034 0.000 0.988 496 T CB 0.499 69.341 68.868 -0.043 0.000 0.988 496 T HN 2.169 nan 8.240 nan 0.000 0.530 497 G N 1.974 110.807 108.800 0.055 0.000 2.171 497 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.238 497 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.238 497 G C 0.547 175.458 174.900 0.019 0.000 1.039 497 G CA 0.450 45.570 45.100 0.032 0.000 0.759 497 G HN 0.612 nan 8.290 nan 0.000 0.501 498 K N -0.602 119.805 120.400 0.012 0.000 2.044 498 K HA -0.158 4.161 4.320 -0.001 0.000 0.210 498 K C 2.583 179.188 176.600 0.009 0.000 1.049 498 K CA 2.396 58.689 56.287 0.010 0.000 0.927 498 K CB -0.272 32.226 32.500 -0.003 0.000 0.713 498 K HN 0.381 nan 8.250 nan 0.000 0.443 499 T N 0.357 114.912 114.554 0.002 0.000 2.777 499 T HA -0.094 4.255 4.350 -0.001 0.000 0.266 499 T C 1.829 176.529 174.700 -0.000 0.000 1.040 499 T CA 1.317 63.417 62.100 0.001 0.000 1.141 499 T CB -0.101 68.766 68.868 -0.002 0.000 0.868 499 T HN 0.007 nan 8.240 nan 0.000 0.444 500 V N 1.671 121.582 119.914 -0.006 0.000 2.407 500 V HA -0.178 3.942 4.120 -0.001 0.000 0.248 500 V C 2.733 178.828 176.094 0.002 0.000 1.055 500 V CA 1.924 64.216 62.300 -0.014 0.000 1.049 500 V CB -1.019 30.785 31.823 -0.031 0.000 0.662 500 V HN 0.543 nan 8.190 nan 0.000 0.455 501 T N -0.758 113.805 114.554 0.015 0.000 2.857 501 T HA -0.134 4.216 4.350 -0.001 0.000 0.266 501 T C 2.148 176.873 174.700 0.041 0.000 1.048 501 T CA 1.653 63.773 62.100 0.032 0.000 1.139 501 T CB -0.174 68.713 68.868 0.033 0.000 0.874 501 T HN 0.467 nan 8.240 nan 0.000 0.455 502 S N 1.335 117.053 115.700 0.030 0.000 2.368 502 S HA 0.001 4.470 4.470 -0.001 0.000 0.224 502 S C 2.555 177.176 174.600 0.035 0.000 1.029 502 S CA 0.926 59.145 58.200 0.033 0.000 0.988 502 S CB -0.459 62.753 63.200 0.021 0.000 0.838 502 S HN 0.578 nan 8.310 nan 0.000 0.462 503 A N 1.132 123.966 122.820 0.022 0.000 1.930 503 A HA -0.090 4.229 4.320 -0.001 0.000 0.217 503 A C 2.290 179.892 177.584 0.030 0.000 1.175 503 A CA 1.939 53.987 52.037 0.017 0.000 0.627 503 A CB -1.160 17.836 19.000 -0.006 0.000 0.815 503 A HN 0.479 nan 8.150 nan 0.000 0.443 504 T N 0.290 114.862 114.554 0.030 0.000 2.777 504 T HA -0.052 4.298 4.350 -0.001 0.000 0.266 504 T C 1.796 176.584 174.700 0.148 0.000 1.040 504 T CA 1.395 63.523 62.100 0.046 0.000 1.141 504 T CB -0.383 68.540 68.868 0.093 0.000 0.868 504 T HN 0.422 nan 8.240 nan 0.000 0.444 505 I N 0.885 121.553 120.570 0.163 0.000 2.127 505 I HA -0.179 3.990 4.170 -0.001 0.000 0.241 505 I C 2.501 178.698 176.117 0.133 0.000 1.075 505 I CA 1.038 62.447 61.300 0.182 0.000 1.334 505 I CB -0.550 37.514 38.000 0.107 0.000 1.040 505 I HN 0.067 nan 8.210 nan 0.000 0.405 506 V N 0.291 120.257 119.914 0.087 0.000 2.332 506 V HA -0.344 3.775 4.120 -0.001 0.000 0.248 506 V C 2.312 178.439 176.094 0.055 0.000 1.055 506 V CA 2.207 64.543 62.300 0.060 0.000 1.038 506 V CB -0.873 30.978 31.823 0.047 0.000 0.651 506 V HN 0.451 nan 8.190 nan 0.000 0.450 507 Y N 0.576 120.817 120.300 -0.098 0.000 2.181 507 Y HA -0.265 4.284 4.550 -0.001 0.000 0.288 507 Y C 2.694 178.478 175.900 -0.194 0.000 1.146 507 Y CA 2.119 60.111 58.100 -0.179 0.000 1.164 507 Y CB -0.371 37.916 38.460 -0.288 0.000 0.982 507 Y HN 0.391 nan 8.280 nan 0.000 0.515 508 H N -0.232 118.830 119.070 -0.012 0.000 2.363 508 H HA -0.080 4.475 4.556 -0.001 0.000 0.301 508 H C 2.438 177.699 175.328 -0.111 0.000 1.074 508 H CA 1.679 57.658 56.048 -0.115 0.000 1.354 508 H CB -0.500 29.282 29.762 0.032 0.000 1.397 508 H HN 0.389 nan 8.280 nan 0.000 0.516 509 L N 0.421 121.676 121.223 0.053 0.000 2.042 509 L HA -0.174 4.165 4.340 -0.001 0.000 0.210 509 L C 2.855 179.705 176.870 -0.032 0.000 1.076 509 L CA 1.123 55.973 54.840 0.017 0.000 0.749 509 L CB -0.497 41.580 42.059 0.031 0.000 0.893 509 L HN 0.214 nan 8.230 nan 0.000 0.432 510 A N -0.090 122.687 122.820 -0.073 0.000 1.969 510 A HA -0.169 4.151 4.320 -0.001 0.000 0.218 510 A C 2.282 179.790 177.584 -0.127 0.000 1.169 510 A CA 1.255 53.241 52.037 -0.086 0.000 0.635 510 A CB -0.420 18.530 19.000 -0.083 0.000 0.810 510 A HN 0.334 nan 8.150 nan 0.000 0.445 511 R N -0.596 119.781 120.500 -0.204 0.000 2.323 511 R HA 0.031 4.371 4.340 -0.001 0.000 0.198 511 R C 1.761 177.998 176.300 -0.104 0.000 0.988 511 R CA 0.659 56.644 56.100 -0.192 0.000 1.041 511 R CB -0.075 30.043 30.300 -0.303 0.000 0.926 511 R HN 0.652 nan 8.270 nan 0.000 0.476 512 Q N -0.697 119.061 119.800 -0.071 0.000 2.398 512 Q HA 0.089 4.429 4.340 -0.001 0.000 0.204 512 Q C 0.636 176.611 176.000 -0.040 0.000 0.932 512 Q CA 0.583 56.359 55.803 -0.045 0.000 0.916 512 Q CB 0.841 29.562 28.738 -0.027 0.000 1.024 512 Q HN 0.471 nan 8.270 nan 0.000 0.504 513 G N 1.745 110.519 108.800 -0.044 0.000 2.171 513 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.238 513 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.238 513 G C -0.141 174.741 174.900 -0.030 0.000 1.039 513 G CA -0.073 45.004 45.100 -0.038 0.000 0.759 513 G HN 0.244 nan 8.290 nan 0.000 0.501 514 N N 1.181 119.867 118.700 -0.024 0.000 2.575 514 N HA 0.451 5.190 4.740 -0.001 0.000 0.275 514 N C 1.280 176.774 175.510 -0.028 0.000 1.202 514 N CA 1.175 54.211 53.050 -0.023 0.000 0.945 514 N CB 0.286 38.764 38.487 -0.014 0.000 1.247 514 N HN 1.611 nan 8.380 nan 0.000 0.510 515 G N 1.654 110.435 108.800 -0.031 0.000 2.796 515 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.226 515 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.226 515 G C -2.770 172.136 174.900 0.010 0.000 1.381 515 G CA -1.098 43.981 45.100 -0.035 0.000 0.867 515 G HN 0.146 nan 8.290 nan 0.000 0.552 516 P HA 0.337 nan 4.420 nan 0.000 0.262 516 P C 0.385 177.818 177.300 0.222 0.000 1.182 516 P CA -0.273 62.907 63.100 0.133 0.000 0.761 516 P CB 0.697 32.527 31.700 0.216 0.000 0.795 517 V N 4.909 124.902 119.914 0.132 0.000 2.614 517 V HA 0.048 4.168 4.120 -0.001 0.000 0.291 517 V C 0.656 176.783 176.094 0.056 0.000 1.049 517 V CA -0.228 62.138 62.300 0.109 0.000 1.038 517 V CB 0.854 32.703 31.823 0.044 0.000 0.980 517 V HN 0.375 nan 8.190 nan 0.000 0.481 518 L N 6.813 128.022 121.223 -0.023 0.000 2.275 518 L HA 0.600 4.940 4.340 -0.001 0.000 0.288 518 L C -0.378 176.393 176.870 -0.165 0.000 1.046 518 L CA 0.391 55.067 54.840 -0.273 0.000 0.805 518 L CB 1.464 43.137 42.059 -0.644 0.000 1.193 518 L HN 0.441 nan 8.230 nan 0.000 0.426 519 V N 4.707 124.526 119.914 -0.159 0.000 2.531 519 V HA 0.566 4.686 4.120 -0.001 0.000 0.301 519 V C -0.549 175.476 176.094 -0.116 0.000 1.034 519 V CA -0.491 61.748 62.300 -0.103 0.000 0.865 519 V CB 1.475 33.261 31.823 -0.062 0.000 0.995 519 V HN 0.948 nan 8.190 nan 0.000 0.424 520 C N 3.087 122.328 119.300 -0.099 0.000 2.971 520 C HA 1.047 5.506 4.460 -0.001 0.000 0.310 520 C C 0.278 175.226 174.990 -0.070 0.000 1.285 520 C CA -0.650 58.310 59.018 -0.097 0.000 1.593 520 C CB 1.614 29.285 27.740 -0.115 0.000 2.076 520 C HN 1.101 nan 8.230 nan 0.000 0.472 521 A N 0.896 123.675 122.820 -0.068 0.000 2.602 521 A HA 0.848 5.168 4.320 -0.001 0.000 0.290 521 A C -2.773 174.774 177.584 -0.061 0.000 1.114 521 A CA -0.806 51.196 52.037 -0.057 0.000 0.683 521 A CB 0.704 19.675 19.000 -0.047 0.000 1.281 521 A HN 0.464 nan 8.150 nan 0.000 0.416 522 P HA 0.059 nan 4.420 nan 0.000 0.236 522 P C 0.317 177.585 177.300 -0.054 0.000 1.177 522 P CA 1.311 64.376 63.100 -0.058 0.000 0.773 522 P CB 0.241 31.911 31.700 -0.050 0.000 0.878 523 S N -2.397 113.275 115.700 -0.047 0.000 2.599 523 S HA 0.353 4.822 4.470 -0.001 0.000 0.294 523 S C 0.898 175.473 174.600 -0.042 0.000 1.094 523 S CA -0.779 57.397 58.200 -0.041 0.000 0.931 523 S CB 1.099 64.281 63.200 -0.031 0.000 1.093 523 S HN -0.222 nan 8.310 nan 0.000 0.488 524 N N 1.080 119.757 118.700 -0.038 0.000 2.120 524 N HA -0.089 4.651 4.740 -0.001 0.000 0.188 524 N C 1.857 177.348 175.510 -0.032 0.000 1.024 524 N CA 1.913 54.941 53.050 -0.037 0.000 0.852 524 N CB -0.634 37.833 38.487 -0.033 0.000 1.003 524 N HN 0.857 nan 8.380 nan 0.000 0.424 525 I N -1.315 119.238 120.570 -0.028 0.000 2.315 525 I HA -0.042 4.128 4.170 -0.001 0.000 0.248 525 I C 2.205 178.308 176.117 -0.023 0.000 1.117 525 I CA 1.186 62.471 61.300 -0.025 0.000 1.404 525 I CB -0.382 37.601 38.000 -0.028 0.000 1.071 525 I HN -0.124 nan 8.210 nan 0.000 0.419 526 A N 1.446 124.250 122.820 -0.026 0.000 1.930 526 A HA -0.027 4.293 4.320 -0.001 0.000 0.217 526 A C 2.391 179.957 177.584 -0.029 0.000 1.175 526 A CA 1.787 53.809 52.037 -0.026 0.000 0.627 526 A CB -0.960 18.022 19.000 -0.030 0.000 0.815 526 A HN 0.358 nan 8.150 nan 0.000 0.443 527 V N 0.761 120.653 119.914 -0.037 0.000 2.295 527 V HA -0.243 3.876 4.120 -0.001 0.000 0.246 527 V C 2.145 178.217 176.094 -0.038 0.000 1.049 527 V CA 2.278 64.552 62.300 -0.043 0.000 1.024 527 V CB -0.846 30.944 31.823 -0.054 0.000 0.648 527 V HN 0.484 nan 8.190 nan 0.000 0.447 528 D N -0.275 120.104 120.400 -0.033 0.000 2.123 528 D HA -0.193 4.446 4.640 -0.001 0.000 0.196 528 D C 2.321 178.613 176.300 -0.013 0.000 0.992 528 D CA 1.248 55.231 54.000 -0.028 0.000 0.833 528 D CB -0.270 40.518 40.800 -0.020 0.000 0.954 528 D HN 0.521 nan 8.370 nan 0.000 0.455 529 Q N -0.438 119.356 119.800 -0.009 0.000 2.124 529 Q HA -0.114 4.226 4.340 -0.001 0.000 0.202 529 Q C 2.011 178.011 176.000 0.001 0.000 0.977 529 Q CA 0.556 56.359 55.803 0.001 0.000 0.850 529 Q CB -0.024 28.713 28.738 -0.002 0.000 0.901 529 Q HN 0.157 nan 8.270 nan 0.000 0.429 530 L N 0.154 121.372 121.223 -0.008 0.000 2.044 530 L HA -0.120 4.219 4.340 -0.001 0.000 0.205 530 L C 2.114 178.983 176.870 -0.002 0.000 1.075 530 L CA 1.914 56.750 54.840 -0.007 0.000 0.747 530 L CB -1.002 41.047 42.059 -0.017 0.000 0.903 530 L HN 0.171 nan 8.230 nan 0.000 0.435 531 T N -0.628 113.917 114.554 -0.015 0.000 2.665 531 T HA -0.285 4.064 4.350 -0.001 0.000 0.268 531 T C 1.718 176.431 174.700 0.021 0.000 1.035 531 T CA 1.809 63.896 62.100 -0.022 0.000 1.151 531 T CB -0.167 68.661 68.868 -0.067 0.000 0.862 531 T HN 0.478 nan 8.240 nan 0.000 0.438 532 E N 0.776 120.996 120.200 0.034 0.000 2.051 532 E HA -0.187 4.163 4.350 -0.001 0.000 0.192 532 E C 2.228 178.895 176.600 0.111 0.000 0.991 532 E CA 1.015 57.473 56.400 0.096 0.000 0.799 532 E CB 0.049 29.797 29.700 0.080 0.000 0.748 532 E HN 0.188 nan 8.360 nan 0.000 0.449 533 K N 0.428 120.861 120.400 0.054 0.000 2.026 533 K HA -0.111 4.209 4.320 -0.001 0.000 0.208 533 K C 2.260 178.873 176.600 0.021 0.000 1.048 533 K CA 1.191 57.495 56.287 0.027 0.000 0.929 533 K CB -0.354 32.149 32.500 0.004 0.000 0.713 533 K HN 0.336 nan 8.250 nan 0.000 0.439 534 I N 0.418 121.008 120.570 0.034 0.000 2.335 534 I HA -0.296 3.873 4.170 -0.001 0.000 0.251 534 I C 2.495 178.646 176.117 0.058 0.000 1.129 534 I CA 1.329 62.651 61.300 0.037 0.000 1.402 534 I CB -0.418 37.605 38.000 0.040 0.000 1.069 534 I HN 0.235 nan 8.210 nan 0.000 0.424 535 H N 1.197 120.272 119.070 0.008 0.000 2.423 535 H HA -0.142 4.413 4.556 -0.001 0.000 0.297 535 H C 2.106 177.455 175.328 0.035 0.000 1.075 535 H CA 1.378 57.446 56.048 0.032 0.000 1.342 535 H CB 0.055 29.859 29.762 0.070 0.000 1.395 535 H HN 0.203 nan 8.280 nan 0.000 0.530 536 Q N -0.125 119.589 119.800 -0.142 0.000 2.291 536 Q HA -0.099 4.240 4.340 -0.001 0.000 0.206 536 Q C 2.154 178.034 176.000 -0.200 0.000 0.976 536 Q CA 1.659 57.346 55.803 -0.194 0.000 0.875 536 Q CB -0.693 27.991 28.738 -0.091 0.000 0.927 536 Q HN 0.784 nan 8.270 nan 0.000 0.450 537 T N -4.002 110.455 114.554 -0.163 0.000 3.088 537 T HA 0.244 4.593 4.350 -0.001 0.000 0.259 537 T C 1.425 176.075 174.700 -0.083 0.000 1.122 537 T CA 0.909 62.899 62.100 -0.182 0.000 1.095 537 T CB 0.247 69.007 68.868 -0.180 0.000 0.930 537 T HN 0.398 nan 8.240 nan 0.000 0.508 538 G N 1.029 109.768 108.800 -0.100 0.000 2.194 538 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.236 538 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.236 538 G C 0.010 174.924 174.900 0.023 0.000 0.987 538 G CA -0.022 45.046 45.100 -0.054 0.000 0.635 538 G HN 0.615 nan 8.290 nan 0.000 0.520 539 L N 0.580 121.839 121.223 0.061 0.000 2.483 539 L HA 0.288 4.628 4.340 -0.001 0.000 0.275 539 L C 0.928 177.840 176.870 0.071 0.000 1.220 539 L CA 0.015 54.896 54.840 0.068 0.000 0.833 539 L CB 0.337 42.444 42.059 0.081 0.000 1.102 539 L HN 0.084 nan 8.230 nan 0.000 0.490 540 K N 1.719 122.150 120.400 0.052 0.000 2.349 540 K HA 0.347 4.667 4.320 -0.001 0.000 0.289 540 K C -0.963 175.656 176.600 0.030 0.000 1.064 540 K CA -0.285 56.029 56.287 0.046 0.000 0.947 540 K CB 0.973 33.489 32.500 0.027 0.000 1.007 540 K HN 0.225 nan 8.250 nan 0.000 0.478 541 V N 3.993 123.918 119.914 0.019 0.000 2.495 541 V HA 0.263 4.382 4.120 -0.001 0.000 0.298 541 V C -0.377 175.674 176.094 -0.073 0.000 1.031 541 V CA -0.974 61.315 62.300 -0.018 0.000 0.871 541 V CB 1.904 33.722 31.823 -0.009 0.000 0.988 541 V HN 0.423 nan 8.190 nan 0.000 0.432 542 V N 5.378 125.254 119.914 -0.063 0.000 2.384 542 V HA 0.527 4.646 4.120 -0.001 0.000 0.287 542 V C 0.162 176.201 176.094 -0.092 0.000 1.020 542 V CA -0.780 61.470 62.300 -0.083 0.000 0.850 542 V CB 1.748 33.544 31.823 -0.045 0.000 0.987 542 V HN 0.703 nan 8.190 nan 0.000 0.436 543 R N 3.977 124.403 120.500 -0.124 0.000 2.229 543 R HA 0.488 4.828 4.340 -0.001 0.000 0.328 543 R C -1.102 175.158 176.300 -0.067 0.000 1.009 543 R CA -0.583 55.454 56.100 -0.106 0.000 0.864 543 R CB 1.194 31.412 30.300 -0.137 0.000 1.085 543 R HN 0.656 nan 8.270 nan 0.000 0.453 544 L N 5.220 126.410 121.223 -0.055 0.000 2.307 544 L HA 0.474 4.814 4.340 -0.001 0.000 0.284 544 L C -0.645 176.203 176.870 -0.036 0.000 1.023 544 L CA -0.183 54.637 54.840 -0.033 0.000 0.810 544 L CB 0.988 43.022 42.059 -0.043 0.000 1.231 544 L HN 0.859 nan 8.230 nan 0.000 0.423 545 C N 2.519 121.808 119.300 -0.018 0.000 3.154 545 C HA 0.943 5.402 4.460 -0.001 0.000 0.312 545 C C 0.535 175.479 174.990 -0.076 0.000 1.349 545 C CA -0.757 58.232 59.018 -0.048 0.000 1.518 545 C CB 0.739 28.457 27.740 -0.037 0.000 1.934 545 C HN 1.127 nan 8.230 nan 0.000 0.462 546 A N 0.960 123.720 122.820 -0.100 0.000 2.507 546 A HA 0.237 4.556 4.320 -0.001 0.000 0.235 546 A C 1.413 178.894 177.584 -0.172 0.000 1.070 546 A CA 0.157 52.120 52.037 -0.123 0.000 0.768 546 A CB 0.072 18.996 19.000 -0.128 0.000 1.011 546 A HN 1.081 nan 8.150 nan 0.000 0.502 547 K N 0.608 120.908 120.400 -0.167 0.000 2.281 547 K HA -0.158 4.162 4.320 -0.001 0.000 0.203 547 K C 1.987 178.412 176.600 -0.292 0.000 1.046 547 K CA 1.756 57.921 56.287 -0.203 0.000 0.938 547 K CB -0.121 32.302 32.500 -0.129 0.000 0.737 547 K HN 0.890 nan 8.250 nan 0.000 0.458 548 S N 0.034 115.527 115.700 -0.345 0.000 2.436 548 S HA 0.003 4.472 4.470 -0.001 0.000 0.228 548 S C 1.554 175.913 174.600 -0.403 0.000 1.014 548 S CA 0.166 57.999 58.200 -0.612 0.000 0.950 548 S CB -0.024 62.813 63.200 -0.605 0.000 0.784 548 S HN 0.231 nan 8.310 nan 0.000 0.504 549 R N 1.295 121.644 120.500 -0.251 0.000 2.313 549 R HA 0.232 4.572 4.340 -0.001 0.000 0.199 549 R C 1.386 177.583 176.300 -0.171 0.000 0.958 549 R CA 0.250 56.253 56.100 -0.161 0.000 1.047 549 R CB -0.323 29.913 30.300 -0.107 0.000 0.955 549 R HN 0.662 nan 8.270 nan 0.000 0.481 550 E N 0.824 120.852 120.200 -0.287 0.000 2.150 550 E HA -0.102 4.247 4.350 -0.001 0.000 0.193 550 E C 1.610 178.134 176.600 -0.126 0.000 0.985 550 E CA 1.063 57.204 56.400 -0.432 0.000 0.814 550 E CB 0.073 29.395 29.700 -0.630 0.000 0.752 550 E HN 0.260 nan 8.360 nan 0.000 0.466 551 A N 0.664 123.440 122.820 -0.074 0.000 2.209 551 A HA -0.008 4.312 4.320 -0.001 0.000 0.212 551 A C 0.866 178.465 177.584 0.024 0.000 1.158 551 A CA 0.262 52.300 52.037 0.001 0.000 0.742 551 A CB -0.143 18.863 19.000 0.010 0.000 0.790 551 A HN 0.022 nan 8.150 nan 0.000 0.472 552 I N 1.381 121.962 120.570 0.019 0.000 2.395 552 I HA 0.195 4.364 4.170 -0.001 0.000 0.289 552 I C -0.709 175.436 176.117 0.046 0.000 1.023 552 I CA -0.221 61.093 61.300 0.024 0.000 1.350 552 I CB 1.104 39.108 38.000 0.006 0.000 1.409 552 I HN 0.047 nan 8.210 nan 0.000 0.507 553 D N 4.511 124.932 120.400 0.035 0.000 2.175 553 D HA 0.586 5.226 4.640 -0.001 0.000 0.248 553 D C -0.214 176.104 176.300 0.030 0.000 1.047 553 D CA -0.071 53.952 54.000 0.038 0.000 0.883 553 D CB 1.712 42.531 40.800 0.030 0.000 1.180 553 D HN 0.554 nan 8.370 nan 0.000 0.438 554 S N 0.461 116.183 115.700 0.036 0.000 2.671 554 S HA 0.557 5.026 4.470 -0.001 0.000 0.277 554 S C -2.286 172.348 174.600 0.057 0.000 1.165 554 S CA -0.970 57.250 58.200 0.033 0.000 0.822 554 S CB 1.933 65.143 63.200 0.017 0.000 1.150 554 S HN 0.062 nan 8.310 nan 0.000 0.479 555 P HA 0.006 nan 4.420 nan 0.000 0.222 555 P C 1.236 178.654 177.300 0.197 0.000 1.147 555 P CA 1.231 64.392 63.100 0.102 0.000 0.790 555 P CB -0.394 31.352 31.700 0.078 0.000 0.780 556 V N -4.790 115.179 119.914 0.090 0.000 3.271 556 V HA 0.257 4.376 4.120 -0.001 0.000 0.327 556 V C 1.814 177.804 176.094 -0.174 0.000 1.389 556 V CA 0.165 62.432 62.300 -0.055 0.000 1.156 556 V CB -0.648 31.093 31.823 -0.137 0.000 1.103 556 V HN -0.124 nan 8.190 nan 0.000 0.453 557 S N 2.213 117.911 115.700 -0.003 0.000 2.400 557 S HA -0.143 4.327 4.470 -0.001 0.000 0.232 557 S C 1.574 176.117 174.600 -0.095 0.000 1.025 557 S CA 2.082 60.259 58.200 -0.038 0.000 0.993 557 S CB -0.587 62.633 63.200 0.033 0.000 0.808 557 S HN 0.978 nan 8.310 nan 0.000 0.478 558 F N 1.012 120.890 119.950 -0.120 0.000 2.333 558 F HA 0.075 4.602 4.527 -0.001 0.000 0.300 558 F C 1.427 177.139 175.800 -0.147 0.000 1.083 558 F CA 0.789 58.710 58.000 -0.132 0.000 1.395 558 F CB -0.543 38.385 39.000 -0.119 0.000 1.056 558 F HN 0.066 nan 8.300 nan 0.000 0.529 559 L N 0.581 121.262 121.223 -0.905 0.000 2.567 559 L HA 0.361 4.701 4.340 -0.001 0.000 0.225 559 L C 1.549 178.201 176.870 -0.363 0.000 1.119 559 L CA -0.162 54.255 54.840 -0.706 0.000 0.871 559 L CB -0.614 40.944 42.059 -0.834 0.000 1.036 559 L HN 0.223 nan 8.230 nan 0.000 0.459 560 A N 0.265 122.896 122.820 -0.316 0.000 2.498 560 A HA 0.037 4.356 4.320 -0.001 0.000 0.239 560 A C 1.107 178.563 177.584 -0.214 0.000 1.068 560 A CA -0.227 51.676 52.037 -0.224 0.000 0.766 560 A CB 0.389 19.252 19.000 -0.230 0.000 1.003 560 A HN 0.215 nan 8.150 nan 0.000 0.497 561 L N 2.661 123.836 121.223 -0.081 0.000 2.043 561 L HA -0.238 4.102 4.340 -0.001 0.000 0.212 561 L C 2.558 179.410 176.870 -0.029 0.000 1.075 561 L CA 2.937 57.751 54.840 -0.042 0.000 0.752 561 L CB -0.758 41.304 42.059 0.004 0.000 0.891 561 L HN 0.934 nan 8.230 nan 0.000 0.432 562 H N -1.797 117.249 119.070 -0.040 0.000 2.389 562 H HA -0.052 4.503 4.556 -0.001 0.000 0.299 562 H C 1.630 176.953 175.328 -0.010 0.000 1.081 562 H CA 1.373 57.408 56.048 -0.022 0.000 1.345 562 H CB -0.732 29.021 29.762 -0.015 0.000 1.393 562 H HN 0.408 nan 8.280 nan 0.000 0.520 563 N N 1.320 119.687 118.700 -0.556 0.000 2.142 563 N HA -0.117 4.623 4.740 -0.001 0.000 0.186 563 N C 2.126 177.557 175.510 -0.132 0.000 1.023 563 N CA 1.046 53.914 53.050 -0.303 0.000 0.852 563 N CB -0.242 38.040 38.487 -0.342 0.000 0.998 563 N HN 0.576 nan 8.380 nan 0.000 0.424 564 Q N 0.523 120.245 119.800 -0.129 0.000 2.096 564 Q HA -0.046 4.293 4.340 -0.001 0.000 0.204 564 Q C 2.147 178.126 176.000 -0.035 0.000 0.982 564 Q CA 0.940 56.703 55.803 -0.066 0.000 0.850 564 Q CB -0.141 28.555 28.738 -0.069 0.000 0.901 564 Q HN 0.395 nan 8.270 nan 0.000 0.422 565 I N 0.454 121.006 120.570 -0.030 0.000 2.226 565 I HA -0.285 3.885 4.170 -0.001 0.000 0.245 565 I C 2.369 178.488 176.117 0.003 0.000 1.100 565 I CA 1.111 62.403 61.300 -0.012 0.000 1.374 565 I CB -0.228 37.767 38.000 -0.008 0.000 1.057 565 I HN 0.136 nan 8.210 nan 0.000 0.413 566 R N 0.646 121.153 120.500 0.012 0.000 2.170 566 R HA -0.154 4.186 4.340 -0.001 0.000 0.242 566 R C 1.107 177.417 176.300 0.017 0.000 1.145 566 R CA 1.117 57.233 56.100 0.026 0.000 0.984 566 R CB -0.348 29.969 30.300 0.028 0.000 0.869 566 R HN 0.450 nan 8.270 nan 0.000 0.455 567 N N -0.044 118.660 118.700 0.006 0.000 2.235 567 N HA 0.077 4.817 4.740 -0.001 0.000 0.209 567 N C -0.187 175.328 175.510 0.008 0.000 1.122 567 N CA 0.106 53.161 53.050 0.009 0.000 0.845 567 N CB 0.541 39.033 38.487 0.009 0.000 1.004 567 N HN 0.146 nan 8.380 nan 0.000 0.499 568 M N 1.273 120.877 119.600 0.006 0.000 2.821 568 M HA 0.033 4.513 4.480 -0.001 0.000 0.305 568 M C 0.085 176.389 176.300 0.007 0.000 1.466 568 M CA 0.031 55.333 55.300 0.004 0.000 1.526 568 M CB 0.256 32.855 32.600 -0.002 0.000 1.321 568 M HN -0.180 nan 8.290 nan 0.000 0.492 569 D N 0.052 120.456 120.400 0.008 0.000 2.378 569 D HA -0.089 4.550 4.640 -0.001 0.000 0.222 569 D C 1.731 178.035 176.300 0.006 0.000 0.980 569 D CA 0.881 54.886 54.000 0.008 0.000 0.907 569 D CB 0.204 41.009 40.800 0.008 0.000 0.899 569 D HN 0.517 nan 8.370 nan 0.000 0.527 570 S N -0.815 114.887 115.700 0.004 0.000 2.561 570 S HA 0.036 4.506 4.470 -0.001 0.000 0.225 570 S C 1.087 175.688 174.600 0.002 0.000 0.977 570 S CA 0.111 58.312 58.200 0.002 0.000 0.926 570 S CB -0.005 63.195 63.200 -0.000 0.000 0.769 570 S HN 0.139 nan 8.310 nan 0.000 0.533 571 M N 2.101 121.703 119.600 0.003 0.000 2.854 571 M HA 0.295 4.775 4.480 -0.001 0.000 0.203 571 M C -2.164 174.143 176.300 0.012 0.000 1.069 571 M CA -1.914 53.389 55.300 0.004 0.000 0.803 571 M CB 1.561 34.160 32.600 -0.002 0.000 1.380 571 M HN 0.011 nan 8.290 nan 0.000 0.494 572 P HA -0.185 nan 4.420 nan 0.000 0.217 572 P C 1.069 178.384 177.300 0.025 0.000 1.150 572 P CA 1.445 64.556 63.100 0.018 0.000 0.832 572 P CB 0.226 31.934 31.700 0.014 0.000 0.787 573 E N -0.348 119.866 120.200 0.024 0.000 2.077 573 E HA -0.184 4.165 4.350 -0.001 0.000 0.193 573 E C 2.038 178.668 176.600 0.050 0.000 0.989 573 E CA 0.695 57.114 56.400 0.032 0.000 0.800 573 E CB -0.457 29.258 29.700 0.026 0.000 0.746 573 E HN -0.004 nan 8.360 nan 0.000 0.452 574 L N 1.302 122.551 121.223 0.044 0.000 2.079 574 L HA -0.219 4.121 4.340 -0.001 0.000 0.210 574 L C 2.147 179.074 176.870 0.096 0.000 1.081 574 L CA 1.789 56.667 54.840 0.064 0.000 0.752 574 L CB -0.386 41.680 42.059 0.012 0.000 0.896 574 L HN 0.163 nan 8.230 nan 0.000 0.433 575 Q N -0.638 119.199 119.800 0.063 0.000 2.079 575 Q HA -0.209 4.131 4.340 -0.001 0.000 0.200 575 Q C 2.169 178.206 176.000 0.062 0.000 0.974 575 Q CA 1.798 57.638 55.803 0.061 0.000 0.840 575 Q CB -0.111 28.651 28.738 0.039 0.000 0.898 575 Q HN 0.564 nan 8.270 nan 0.000 0.430 576 K N 0.619 121.050 120.400 0.052 0.000 2.026 576 K HA -0.136 4.184 4.320 -0.001 0.000 0.208 576 K C 2.129 178.757 176.600 0.047 0.000 1.048 576 K CA 1.096 57.407 56.287 0.041 0.000 0.929 576 K CB -0.247 32.273 32.500 0.033 0.000 0.713 576 K HN 0.151 nan 8.250 nan 0.000 0.439 577 L N 1.056 122.325 121.223 0.077 0.000 2.079 577 L HA -0.248 4.092 4.340 -0.001 0.000 0.210 577 L C 2.753 179.651 176.870 0.046 0.000 1.081 577 L CA 1.180 56.071 54.840 0.084 0.000 0.752 577 L CB -0.326 41.847 42.059 0.191 0.000 0.896 577 L HN 0.225 nan 8.230 nan 0.000 0.433 578 Q N -0.324 119.548 119.800 0.120 0.000 2.172 578 Q HA -0.179 4.160 4.340 -0.001 0.000 0.200 578 Q C 2.153 178.169 176.000 0.026 0.000 0.964 578 Q CA 1.397 57.261 55.803 0.103 0.000 0.855 578 Q CB -0.020 28.833 28.738 0.192 0.000 0.918 578 Q HN 0.402 nan 8.270 nan 0.000 0.444 579 Q N -0.489 119.328 119.800 0.029 0.000 2.002 579 Q HA -0.185 4.155 4.340 -0.001 0.000 0.204 579 Q C 1.982 177.975 176.000 -0.011 0.000 0.988 579 Q CA 1.624 57.434 55.803 0.011 0.000 0.843 579 Q CB -0.388 28.360 28.738 0.015 0.000 0.908 579 Q HN 0.422 nan 8.270 nan 0.000 0.420 580 L N 1.714 122.926 121.223 -0.018 0.000 2.034 580 L HA -0.277 4.063 4.340 -0.001 0.000 0.217 580 L C 2.172 179.005 176.870 -0.061 0.000 1.077 580 L CA 1.960 56.779 54.840 -0.034 0.000 0.769 580 L CB -0.528 41.511 42.059 -0.035 0.000 0.890 580 L HN 0.097 nan 8.230 nan 0.000 0.435 581 K N -0.597 119.741 120.400 -0.103 0.000 2.147 581 K HA -0.136 4.184 4.320 -0.001 0.000 0.205 581 K C 0.450 177.002 176.600 -0.080 0.000 1.049 581 K CA 1.245 57.443 56.287 -0.148 0.000 0.936 581 K CB -0.271 32.052 32.500 -0.294 0.000 0.722 581 K HN 0.431 nan 8.250 nan 0.000 0.446 582 D N 1.334 121.707 120.400 -0.045 0.000 2.856 582 D HA 0.009 4.648 4.640 -0.001 0.000 0.242 582 D C 0.186 176.479 176.300 -0.011 0.000 1.226 582 D CA 0.441 54.431 54.000 -0.016 0.000 0.855 582 D CB 0.208 41.010 40.800 0.002 0.000 1.065 582 D HN 0.327 nan 8.370 nan 0.000 0.462 583 E N -1.894 118.295 120.200 -0.018 0.000 2.568 583 E HA 0.068 4.417 4.350 -0.001 0.000 0.220 583 E C 0.853 177.447 176.600 -0.010 0.000 0.869 583 E CA 0.212 56.605 56.400 -0.012 0.000 1.268 583 E CB 0.963 30.655 29.700 -0.014 0.000 1.252 583 E HN 0.037 nan 8.360 nan 0.000 0.606 584 T N -2.237 112.308 114.554 -0.014 0.000 3.168 584 T HA 0.296 4.646 4.350 -0.001 0.000 0.261 584 T C 1.463 176.162 174.700 -0.002 0.000 0.931 584 T CA 0.246 62.341 62.100 -0.009 0.000 0.949 584 T CB 1.192 70.049 68.868 -0.018 0.000 1.229 584 T HN 0.225 nan 8.240 nan 0.000 0.504 585 G N 1.350 110.141 108.800 -0.015 0.000 2.254 585 G HA2 -0.158 3.802 3.960 -0.001 0.000 0.225 585 G HA3 -0.158 3.802 3.960 -0.001 0.000 0.225 585 G C -0.122 174.755 174.900 -0.039 0.000 1.003 585 G CA -0.018 45.074 45.100 -0.012 0.000 0.622 585 G HN 0.473 nan 8.290 nan 0.000 0.507 586 E N -0.484 119.687 120.200 -0.047 0.000 2.378 586 E HA 0.840 5.189 4.350 -0.001 0.000 0.265 586 E C -0.497 176.053 176.600 -0.084 0.000 0.932 586 E CA -0.597 55.768 56.400 -0.058 0.000 0.795 586 E CB 2.165 31.850 29.700 -0.026 0.000 1.296 586 E HN 0.304 nan 8.360 nan 0.000 0.438 587 L N 0.136 121.309 121.223 -0.082 0.000 2.359 587 L HA 0.358 4.697 4.340 -0.001 0.000 0.256 587 L C 0.309 177.157 176.870 -0.036 0.000 1.026 587 L CA -0.989 53.804 54.840 -0.077 0.000 0.828 587 L CB 2.025 44.010 42.059 -0.123 0.000 1.406 587 L HN 0.589 nan 8.230 nan 0.000 0.413 588 S N -0.517 115.168 115.700 -0.024 0.000 2.580 588 S HA 0.033 4.503 4.470 -0.001 0.000 0.266 588 S C 1.184 175.785 174.600 0.002 0.000 1.354 588 S CA 0.078 58.273 58.200 -0.008 0.000 1.008 588 S CB 1.162 64.360 63.200 -0.004 0.000 0.898 588 S HN 0.756 nan 8.310 nan 0.000 0.555 589 S N 2.123 117.828 115.700 0.008 0.000 2.368 589 S HA -0.083 4.387 4.470 -0.001 0.000 0.225 589 S C 2.104 176.717 174.600 0.022 0.000 1.030 589 S CA 0.788 58.998 58.200 0.015 0.000 0.999 589 S CB -1.400 61.808 63.200 0.013 0.000 0.844 589 S HN 1.219 nan 8.310 nan 0.000 0.459 590 A N 1.763 124.594 122.820 0.018 0.000 2.019 590 A HA -0.095 4.224 4.320 -0.001 0.000 0.219 590 A C 1.875 179.478 177.584 0.031 0.000 1.164 590 A CA 1.719 53.770 52.037 0.022 0.000 0.644 590 A CB -0.582 18.427 19.000 0.016 0.000 0.805 590 A HN 0.491 nan 8.150 nan 0.000 0.449 591 D N -1.357 119.061 120.400 0.029 0.000 2.259 591 D HA 0.003 4.643 4.640 -0.001 0.000 0.216 591 D C 1.883 178.227 176.300 0.073 0.000 0.961 591 D CA 1.147 55.171 54.000 0.040 0.000 0.878 591 D CB -0.270 40.537 40.800 0.012 0.000 1.009 591 D HN 0.542 nan 8.370 nan 0.000 0.490 592 E N 1.237 121.467 120.200 0.051 0.000 2.209 592 E HA -0.181 4.169 4.350 -0.001 0.000 0.196 592 E C 1.844 178.529 176.600 0.140 0.000 0.993 592 E CA 1.031 57.487 56.400 0.093 0.000 0.819 592 E CB 0.137 29.864 29.700 0.044 0.000 0.745 592 E HN 0.090 nan 8.360 nan 0.000 0.477 593 K N 0.033 120.486 120.400 0.087 0.000 1.984 593 K HA -0.201 4.119 4.320 -0.001 0.000 0.209 593 K C 2.290 178.933 176.600 0.072 0.000 1.046 593 K CA 1.275 57.603 56.287 0.068 0.000 0.934 593 K CB -0.140 32.385 32.500 0.042 0.000 0.717 593 K HN -0.069 nan 8.250 nan 0.000 0.438 594 R N 0.410 120.956 120.500 0.076 0.000 2.096 594 R HA -0.216 4.124 4.340 -0.001 0.000 0.240 594 R C 2.195 178.552 176.300 0.095 0.000 1.139 594 R CA 2.027 58.169 56.100 0.071 0.000 0.952 594 R CB -1.229 29.113 30.300 0.069 0.000 0.854 594 R HN 0.481 nan 8.270 nan 0.000 0.436 595 Y N 0.400 120.703 120.300 0.005 0.000 2.242 595 Y HA -0.099 4.451 4.550 -0.001 0.000 0.291 595 Y C 1.923 177.826 175.900 0.005 0.000 1.137 595 Y CA 1.748 59.852 58.100 0.006 0.000 1.181 595 Y CB -0.021 38.443 38.460 0.007 0.000 0.989 595 Y HN 0.014 nan 8.280 nan 0.000 0.527 596 R N -0.118 120.380 120.500 -0.004 0.000 2.093 596 R HA -0.019 4.320 4.340 -0.001 0.000 0.224 596 R C 2.560 178.798 176.300 -0.104 0.000 1.101 596 R CA 0.849 56.890 56.100 -0.098 0.000 0.979 596 R CB -0.513 29.804 30.300 0.028 0.000 0.877 596 R HN 0.428 nan 8.270 nan 0.000 0.441 597 A N 1.538 124.329 122.820 -0.048 0.000 1.865 597 A HA -0.173 4.147 4.320 -0.001 0.000 0.217 597 A C 2.167 179.710 177.584 -0.070 0.000 1.191 597 A CA 1.351 53.362 52.037 -0.042 0.000 0.623 597 A CB -0.672 18.319 19.000 -0.014 0.000 0.826 597 A HN 0.170 nan 8.150 nan 0.000 0.444 598 L N -0.978 120.195 121.223 -0.084 0.000 2.056 598 L HA -0.164 4.176 4.340 -0.001 0.000 0.207 598 L C 2.614 179.399 176.870 -0.142 0.000 1.078 598 L CA 1.848 56.634 54.840 -0.090 0.000 0.749 598 L CB -0.409 41.613 42.059 -0.062 0.000 0.901 598 L HN 0.444 nan 8.230 nan 0.000 0.433 599 K N 0.251 120.496 120.400 -0.258 0.000 2.103 599 K HA -0.186 4.134 4.320 -0.001 0.000 0.207 599 K C 2.309 178.814 176.600 -0.157 0.000 1.048 599 K CA 1.249 57.368 56.287 -0.280 0.000 0.930 599 K CB 0.031 32.227 32.500 -0.507 0.000 0.716 599 K HN 0.131 nan 8.250 nan 0.000 0.444 600 R N -0.414 120.010 120.500 -0.127 0.000 2.081 600 R HA -0.086 4.253 4.340 -0.001 0.000 0.235 600 R C 2.205 178.470 176.300 -0.058 0.000 1.131 600 R CA 1.942 57.995 56.100 -0.077 0.000 0.960 600 R CB -0.362 29.902 30.300 -0.060 0.000 0.856 600 R HN 0.275 nan 8.270 nan 0.000 0.436 601 T N 0.757 115.276 114.554 -0.058 0.000 2.684 601 T HA -0.175 4.174 4.350 -0.001 0.000 0.267 601 T C 1.902 176.577 174.700 -0.042 0.000 1.036 601 T CA 1.501 63.575 62.100 -0.043 0.000 1.148 601 T CB -0.293 68.552 68.868 -0.038 0.000 0.863 601 T HN 0.377 nan 8.240 nan 0.000 0.436 602 A N 1.566 124.355 122.820 -0.052 0.000 1.972 602 A HA -0.152 4.168 4.320 -0.001 0.000 0.219 602 A C 2.204 179.766 177.584 -0.037 0.000 1.169 602 A CA 1.595 53.606 52.037 -0.044 0.000 0.635 602 A CB -0.473 18.495 19.000 -0.053 0.000 0.810 602 A HN 0.620 nan 8.150 nan 0.000 0.446 603 E N -0.624 119.551 120.200 -0.042 0.000 2.112 603 E HA -0.111 4.239 4.350 -0.001 0.000 0.190 603 E C 2.293 178.881 176.600 -0.019 0.000 0.979 603 E CA 0.621 57.004 56.400 -0.028 0.000 0.814 603 E CB -0.173 29.509 29.700 -0.031 0.000 0.762 603 E HN 0.521 nan 8.360 nan 0.000 0.460 604 R N 1.008 121.494 120.500 -0.023 0.000 2.091 604 R HA -0.163 4.177 4.340 -0.001 0.000 0.238 604 R C 2.389 178.678 176.300 -0.018 0.000 1.136 604 R CA 1.365 57.453 56.100 -0.020 0.000 0.959 604 R CB -0.168 30.117 30.300 -0.025 0.000 0.856 604 R HN 0.236 nan 8.270 nan 0.000 0.437 605 E N 0.887 121.075 120.200 -0.020 0.000 2.047 605 E HA -0.160 4.190 4.350 -0.001 0.000 0.191 605 E C 2.047 178.640 176.600 -0.012 0.000 0.987 605 E CA 0.906 57.296 56.400 -0.017 0.000 0.799 605 E CB 0.049 29.739 29.700 -0.017 0.000 0.752 605 E HN 0.265 nan 8.360 nan 0.000 0.449 606 L N 0.639 121.854 121.223 -0.013 0.000 2.093 606 L HA -0.168 4.172 4.340 -0.001 0.000 0.208 606 L C 2.559 179.428 176.870 -0.001 0.000 1.085 606 L CA 0.652 55.486 54.840 -0.010 0.000 0.755 606 L CB -0.303 41.746 42.059 -0.016 0.000 0.904 606 L HN 0.235 nan 8.230 nan 0.000 0.435 607 L N -1.254 119.972 121.223 0.005 0.000 2.044 607 L HA -0.152 4.188 4.340 -0.001 0.000 0.205 607 L C 2.680 179.566 176.870 0.027 0.000 1.075 607 L CA 0.767 55.624 54.840 0.028 0.000 0.747 607 L CB -0.378 41.706 42.059 0.042 0.000 0.903 607 L HN 0.256 nan 8.230 nan 0.000 0.435 608 M N -0.296 119.304 119.600 0.000 0.000 2.279 608 M HA -0.137 4.342 4.480 -0.001 0.000 0.264 608 M C 1.364 177.656 176.300 -0.013 0.000 1.062 608 M CA 1.447 56.736 55.300 -0.019 0.000 1.099 608 M CB -1.090 31.491 32.600 -0.031 0.000 1.394 608 M HN 0.283 nan 8.290 nan 0.000 0.426 609 N N 0.242 118.939 118.700 -0.005 0.000 2.299 609 N HA 0.177 4.917 4.740 -0.001 0.000 0.187 609 N C 0.324 175.835 175.510 0.003 0.000 1.099 609 N CA 0.127 53.174 53.050 -0.005 0.000 0.867 609 N CB 0.105 38.588 38.487 -0.007 0.000 0.974 609 N HN 0.180 nan 8.380 nan 0.000 0.477 610 A N 0.761 123.588 122.820 0.012 0.000 2.520 610 A HA 0.043 4.363 4.320 -0.001 0.000 0.235 610 A C 0.822 178.420 177.584 0.023 0.000 1.065 610 A CA 0.099 52.147 52.037 0.018 0.000 0.764 610 A CB 0.368 19.384 19.000 0.026 0.000 1.002 610 A HN 0.069 nan 8.150 nan 0.000 0.502 611 D N -0.036 120.375 120.400 0.018 0.000 2.194 611 D HA 0.086 4.726 4.640 -0.001 0.000 0.204 611 D C 0.051 176.368 176.300 0.027 0.000 0.964 611 D CA 1.395 55.403 54.000 0.014 0.000 0.846 611 D CB 0.181 40.985 40.800 0.007 0.000 0.962 611 D HN 0.235 nan 8.370 nan 0.000 0.490 612 V N 1.348 121.279 119.914 0.028 0.000 2.733 612 V HA 0.343 4.462 4.120 -0.001 0.000 0.306 612 V C -0.421 175.677 176.094 0.006 0.000 1.084 612 V CA -0.720 61.593 62.300 0.022 0.000 0.905 612 V CB 2.806 34.636 31.823 0.011 0.000 1.010 612 V HN -0.130 nan 8.190 nan 0.000 0.424 613 I N 3.486 124.051 120.570 -0.008 0.000 2.330 613 I HA 0.452 4.622 4.170 -0.001 0.000 0.289 613 I C -0.463 175.592 176.117 -0.105 0.000 1.001 613 I CA -0.149 61.121 61.300 -0.049 0.000 1.193 613 I CB 1.370 39.348 38.000 -0.037 0.000 1.345 613 I HN 0.543 nan 8.210 nan 0.000 0.461 614 C N 5.836 125.082 119.300 -0.091 0.000 2.329 614 C HA 0.785 5.244 4.460 -0.001 0.000 0.329 614 C C 0.303 175.231 174.990 -0.103 0.000 1.275 614 C CA -0.715 58.244 59.018 -0.098 0.000 1.726 614 C CB 0.076 27.769 27.740 -0.079 0.000 2.291 614 C HN 1.017 nan 8.230 nan 0.000 0.514 615 C N 0.860 120.092 119.300 -0.114 0.000 3.295 615 C HA 0.720 5.180 4.460 -0.001 0.000 0.341 615 C C -0.140 174.788 174.990 -0.103 0.000 1.418 615 C CA -0.485 58.471 59.018 -0.105 0.000 1.240 615 C CB 0.563 28.233 27.740 -0.116 0.000 1.562 615 C HN 0.709 nan 8.230 nan 0.000 0.457 616 T N 0.499 114.996 114.554 -0.095 0.000 2.856 616 T HA 0.214 4.563 4.350 -0.001 0.000 0.306 616 T C 1.319 175.955 174.700 -0.106 0.000 1.062 616 T CA 0.213 62.257 62.100 -0.092 0.000 1.083 616 T CB 0.474 69.290 68.868 -0.087 0.000 0.984 616 T HN 0.846 nan 8.240 nan 0.000 0.542 617 C N 2.035 121.275 119.300 -0.101 0.000 2.388 617 C HA -0.097 4.363 4.460 -0.001 0.000 0.277 617 C C 2.867 177.788 174.990 -0.114 0.000 1.210 617 C CA 0.555 59.508 59.018 -0.108 0.000 1.743 617 C CB -1.140 26.540 27.740 -0.099 0.000 2.047 617 C HN 0.788 nan 8.230 nan 0.000 0.458 618 V N 1.193 121.036 119.914 -0.118 0.000 2.332 618 V HA -0.139 3.980 4.120 -0.001 0.000 0.248 618 V C 2.625 178.651 176.094 -0.114 0.000 1.055 618 V CA 2.385 64.608 62.300 -0.128 0.000 1.038 618 V CB -1.489 30.241 31.823 -0.156 0.000 0.651 618 V HN 0.717 nan 8.190 nan 0.000 0.450 619 G N -0.453 108.282 108.800 -0.108 0.000 2.462 619 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.220 619 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.220 619 G C 1.687 176.529 174.900 -0.097 0.000 1.121 619 G CA 0.901 45.942 45.100 -0.098 0.000 0.758 619 G HN 0.629 nan 8.290 nan 0.000 0.559 620 A N 0.630 123.381 122.820 -0.114 0.000 2.076 620 A HA 0.181 4.500 4.320 -0.001 0.000 0.220 620 A C 2.456 179.993 177.584 -0.077 0.000 1.160 620 A CA 1.735 53.696 52.037 -0.126 0.000 0.653 620 A CB -0.528 18.378 19.000 -0.156 0.000 0.801 620 A HN 0.509 nan 8.150 nan 0.000 0.455 621 G N -0.735 108.024 108.800 -0.069 0.000 3.026 621 G HA2 0.052 4.012 3.960 -0.001 0.000 0.208 621 G HA3 0.052 4.012 3.960 -0.001 0.000 0.208 621 G C 0.300 175.178 174.900 -0.036 0.000 1.169 621 G CA 0.207 45.280 45.100 -0.045 0.000 0.788 621 G HN 0.520 nan 8.290 nan 0.000 0.533 622 D N 1.144 121.520 120.400 -0.041 0.000 2.525 622 D HA -0.004 4.636 4.640 -0.001 0.000 0.235 622 D C -0.936 175.356 176.300 -0.013 0.000 1.137 622 D CA -1.105 52.875 54.000 -0.033 0.000 0.868 622 D CB 1.943 42.721 40.800 -0.037 0.000 1.180 622 D HN 0.063 nan 8.370 nan 0.000 0.465 623 P HA -0.080 nan 4.420 nan 0.000 0.222 623 P C 0.989 178.290 177.300 0.002 0.000 1.147 623 P CA 0.829 63.926 63.100 -0.005 0.000 0.790 623 P CB 0.219 31.913 31.700 -0.010 0.000 0.780 624 R N -0.532 119.968 120.500 0.000 0.000 2.189 624 R HA 0.075 4.414 4.340 -0.001 0.000 0.218 624 R C 2.184 178.504 176.300 0.034 0.000 1.074 624 R CA 0.760 56.864 56.100 0.007 0.000 0.991 624 R CB -0.541 29.759 30.300 -0.001 0.000 0.883 624 R HN 0.266 nan 8.270 nan 0.000 0.457 625 L N 0.105 121.360 121.223 0.053 0.000 2.477 625 L HA 0.222 4.561 4.340 -0.001 0.000 0.220 625 L C 0.998 177.941 176.870 0.122 0.000 1.106 625 L CA -0.474 54.443 54.840 0.128 0.000 0.851 625 L CB -0.097 42.046 42.059 0.141 0.000 0.994 625 L HN 0.066 nan 8.230 nan 0.000 0.462 626 A N 0.367 123.224 122.820 0.061 0.000 2.406 626 A HA 0.188 4.508 4.320 -0.001 0.000 0.243 626 A C 1.013 178.608 177.584 0.018 0.000 1.082 626 A CA 0.149 52.211 52.037 0.041 0.000 0.786 626 A CB 0.208 19.220 19.000 0.019 0.000 1.029 626 A HN 0.428 nan 8.150 nan 0.000 0.495 627 K N -1.691 118.708 120.400 -0.001 0.000 3.553 627 K HA -0.172 4.148 4.320 -0.001 0.000 0.303 627 K C -0.149 176.413 176.600 -0.065 0.000 1.327 627 K CA 1.676 57.947 56.287 -0.027 0.000 0.983 627 K CB -1.539 30.947 32.500 -0.024 0.000 1.275 627 K HN 0.770 nan 8.250 nan 0.000 0.453 628 M N 0.669 120.222 119.600 -0.079 0.000 2.644 628 M HA 0.273 4.753 4.480 -0.001 0.000 0.316 628 M C -0.301 175.793 176.300 -0.343 0.000 1.200 628 M CA -0.597 54.556 55.300 -0.245 0.000 0.944 628 M CB 2.063 34.493 32.600 -0.284 0.000 1.691 628 M HN -0.058 nan 8.290 nan 0.000 0.471 629 Q N 1.519 120.987 119.800 -0.554 0.000 2.387 629 Q HA 0.586 4.926 4.340 -0.001 0.000 0.273 629 Q C -1.766 173.782 176.000 -0.754 0.000 1.089 629 Q CA -0.369 55.179 55.803 -0.426 0.000 0.824 629 Q CB 2.806 31.419 28.738 -0.207 0.000 1.367 629 Q HN 0.575 nan 8.270 nan 0.000 0.443 630 F N 0.764 120.703 119.950 -0.018 0.000 2.659 630 F HA 0.309 4.835 4.527 -0.001 0.000 0.342 630 F C 1.115 176.905 175.800 -0.016 0.000 1.168 630 F CA -0.705 57.283 58.000 -0.020 0.000 1.003 630 F CB 1.199 40.184 39.000 -0.024 0.000 1.267 630 F HN 0.516 nan 8.300 nan 0.000 0.463 631 R N -0.012 120.550 120.500 0.103 0.000 2.153 631 R HA 0.175 4.514 4.340 -0.001 0.000 0.218 631 R C -0.335 176.007 176.300 0.070 0.000 1.072 631 R CA 0.822 56.961 56.100 0.064 0.000 0.990 631 R CB 0.138 30.452 30.300 0.023 0.000 0.889 631 R HN 0.403 nan 8.270 nan 0.000 0.452 632 S N 0.893 116.646 115.700 0.089 0.000 2.449 632 S HA 0.549 5.019 4.470 -0.001 0.000 0.310 632 S C -0.610 174.026 174.600 0.061 0.000 1.096 632 S CA -0.720 57.517 58.200 0.061 0.000 1.095 632 S CB 1.755 64.984 63.200 0.047 0.000 1.007 632 S HN 0.200 nan 8.310 nan 0.000 0.474 633 I N 3.189 123.775 120.570 0.026 0.000 2.534 633 I HA 0.409 4.579 4.170 -0.001 0.000 0.288 633 I C -1.192 174.916 176.117 -0.014 0.000 1.077 633 I CA -0.572 60.722 61.300 -0.010 0.000 1.051 633 I CB 1.911 39.897 38.000 -0.023 0.000 1.234 633 I HN 0.431 nan 8.210 nan 0.000 0.425 634 L N 7.566 128.775 121.223 -0.025 0.000 2.325 634 L HA 0.648 4.987 4.340 -0.001 0.000 0.281 634 L C -1.216 175.639 176.870 -0.025 0.000 1.004 634 L CA -0.395 54.439 54.840 -0.011 0.000 0.823 634 L CB 1.361 43.422 42.059 0.004 0.000 1.236 634 L HN 0.511 nan 8.230 nan 0.000 0.415 635 I N 4.698 125.263 120.570 -0.010 0.000 2.354 635 I HA 0.343 4.512 4.170 -0.001 0.000 0.286 635 I C -0.542 175.579 176.117 0.008 0.000 1.007 635 I CA -0.445 60.845 61.300 -0.016 0.000 1.167 635 I CB 1.384 39.371 38.000 -0.022 0.000 1.320 635 I HN 0.540 nan 8.210 nan 0.000 0.458 636 D N 5.252 125.646 120.400 -0.009 0.000 2.332 636 D HA 0.161 4.800 4.640 -0.001 0.000 0.252 636 D C 0.556 176.838 176.300 -0.031 0.000 1.050 636 D CA 0.055 54.050 54.000 -0.009 0.000 0.970 636 D CB 1.277 42.071 40.800 -0.011 0.000 1.141 636 D HN 0.390 nan 8.370 nan 0.000 0.485 637 E N -0.002 120.167 120.200 -0.051 0.000 2.660 637 E HA -0.214 4.136 4.350 -0.001 0.000 0.260 637 E C 1.118 177.674 176.600 -0.074 0.000 1.122 637 E CA 0.919 57.274 56.400 -0.074 0.000 0.755 637 E CB -1.754 27.913 29.700 -0.055 0.000 1.345 637 E HN 0.490 nan 8.360 nan 0.000 0.421 638 S N -1.844 113.820 115.700 -0.061 0.000 2.419 638 S HA -0.172 4.297 4.470 -0.001 0.000 0.233 638 S C 1.811 176.385 174.600 -0.042 0.000 1.016 638 S CA 1.554 59.743 58.200 -0.018 0.000 0.974 638 S CB -0.616 62.630 63.200 0.078 0.000 0.786 638 S HN 0.381 nan 8.310 nan 0.000 0.492 639 T N -0.358 114.094 114.554 -0.169 0.000 3.025 639 T HA -0.010 4.340 4.350 -0.001 0.000 0.270 639 T C 1.577 176.235 174.700 -0.070 0.000 1.126 639 T CA 0.926 62.925 62.100 -0.168 0.000 1.105 639 T CB -0.460 68.205 68.868 -0.339 0.000 0.884 639 T HN 0.522 nan 8.240 nan 0.000 0.522 640 Q N 0.416 120.179 119.800 -0.062 0.000 2.392 640 Q HA 0.433 4.773 4.340 -0.001 0.000 0.203 640 Q C 0.724 176.710 176.000 -0.023 0.000 0.917 640 Q CA -0.112 55.669 55.803 -0.036 0.000 0.939 640 Q CB 0.298 29.013 28.738 -0.039 0.000 1.063 640 Q HN 0.685 nan 8.270 nan 0.000 0.516 641 A N 0.906 123.713 122.820 -0.023 0.000 2.312 641 A HA 0.467 4.786 4.320 -0.001 0.000 0.328 641 A C 0.285 177.861 177.584 -0.013 0.000 1.158 641 A CA -0.614 51.406 52.037 -0.028 0.000 0.821 641 A CB 0.666 19.640 19.000 -0.044 0.000 1.170 641 A HN 0.206 nan 8.150 nan 0.000 0.490 642 T N -0.490 114.052 114.554 -0.019 0.000 2.813 642 T HA 0.230 4.579 4.350 -0.001 0.000 0.297 642 T C 0.790 175.438 174.700 -0.087 0.000 1.036 642 T CA 0.136 62.228 62.100 -0.013 0.000 1.044 642 T CB 0.562 69.434 68.868 0.007 0.000 0.993 642 T HN 0.669 nan 8.240 nan 0.000 0.535 643 E N 1.219 121.321 120.200 -0.164 0.000 2.038 643 E HA -0.103 4.246 4.350 -0.001 0.000 0.195 643 E C -0.649 175.733 176.600 -0.362 0.000 1.000 643 E CA 1.331 57.536 56.400 -0.325 0.000 0.803 643 E CB -1.434 27.894 29.700 -0.619 0.000 0.750 643 E HN 0.574 nan 8.360 nan 0.000 0.448 644 P HA -0.191 nan 4.420 nan 0.000 0.216 644 P C 1.223 178.428 177.300 -0.157 0.000 1.150 644 P CA 1.326 64.273 63.100 -0.256 0.000 0.843 644 P CB -0.019 31.588 31.700 -0.154 0.000 0.787 645 E N -1.224 118.895 120.200 -0.134 0.000 2.031 645 E HA -0.211 4.138 4.350 -0.001 0.000 0.193 645 E C 1.887 178.415 176.600 -0.120 0.000 0.994 645 E CA 1.156 57.486 56.400 -0.116 0.000 0.800 645 E CB -0.604 29.038 29.700 -0.097 0.000 0.752 645 E HN 0.098 nan 8.360 nan 0.000 0.447 646 C N 0.630 119.857 119.300 -0.121 0.000 2.413 646 C HA -0.111 4.348 4.460 -0.001 0.000 0.277 646 C C 2.507 177.408 174.990 -0.149 0.000 1.265 646 C CA 0.699 59.647 59.018 -0.116 0.000 1.752 646 C CB -0.726 26.955 27.740 -0.097 0.000 1.998 646 C HN 0.540 nan 8.230 nan 0.000 0.489 647 M N -0.011 119.477 119.600 -0.187 0.000 2.557 647 M HA -0.024 4.455 4.480 -0.001 0.000 0.259 647 M C 1.957 178.150 176.300 -0.178 0.000 1.086 647 M CA 0.916 56.073 55.300 -0.238 0.000 1.096 647 M CB -1.160 31.266 32.600 -0.289 0.000 1.424 647 M HN 0.261 nan 8.290 nan 0.000 0.488 648 V N 1.841 121.675 119.914 -0.134 0.000 2.261 648 V HA -0.182 3.938 4.120 -0.001 0.000 0.246 648 V C -0.355 175.681 176.094 -0.098 0.000 1.047 648 V CA 2.046 64.284 62.300 -0.102 0.000 1.015 648 V CB -2.076 29.688 31.823 -0.098 0.000 0.642 648 V HN 0.255 nan 8.190 nan 0.000 0.446 649 P HA -0.030 nan 4.420 nan 0.000 0.222 649 P C 1.877 179.120 177.300 -0.095 0.000 1.153 649 P CA 1.039 64.067 63.100 -0.120 0.000 0.798 649 P CB -0.028 31.583 31.700 -0.148 0.000 0.796 650 V N 1.227 121.069 119.914 -0.121 0.000 2.392 650 V HA -0.182 3.938 4.120 -0.001 0.000 0.249 650 V C 2.633 178.673 176.094 -0.089 0.000 1.059 650 V CA 2.207 64.431 62.300 -0.127 0.000 1.051 650 V CB -1.418 30.275 31.823 -0.217 0.000 0.658 650 V HN 0.057 nan 8.190 nan 0.000 0.455 651 V N -2.306 117.557 119.914 -0.086 0.000 3.510 651 V HA 0.121 4.240 4.120 -0.001 0.000 0.270 651 V C 1.428 177.541 176.094 0.031 0.000 1.201 651 V CA 0.884 63.168 62.300 -0.027 0.000 1.166 651 V CB -0.934 30.880 31.823 -0.015 0.000 0.825 651 V HN 0.486 nan 8.190 nan 0.000 0.484 652 L N 2.073 123.331 121.223 0.058 0.000 2.715 652 L HA 0.532 4.871 4.340 -0.001 0.000 0.238 652 L C 1.511 178.467 176.870 0.144 0.000 1.212 652 L CA 0.562 55.486 54.840 0.141 0.000 1.017 652 L CB -0.599 41.627 42.059 0.278 0.000 1.269 652 L HN 0.619 nan 8.230 nan 0.000 0.452 653 G N -0.181 108.669 108.800 0.083 0.000 2.145 653 G HA2 -0.171 3.788 3.960 -0.001 0.000 0.176 653 G HA3 -0.171 3.788 3.960 -0.001 0.000 0.176 653 G C 0.332 175.272 174.900 0.067 0.000 1.013 653 G CA -0.252 44.885 45.100 0.063 0.000 0.689 653 G HN 0.479 nan 8.290 nan 0.000 0.506 654 A N -0.281 122.577 122.820 0.063 0.000 2.548 654 A HA 0.557 4.876 4.320 -0.001 0.000 0.247 654 A C 1.211 178.830 177.584 0.059 0.000 1.067 654 A CA 1.389 53.460 52.037 0.056 0.000 0.757 654 A CB 0.216 19.231 19.000 0.025 0.000 0.996 654 A HN 0.544 nan 8.150 nan 0.000 0.504 655 K N 0.610 121.041 120.400 0.052 0.000 2.436 655 K HA 0.117 4.436 4.320 -0.001 0.000 0.198 655 K C 0.536 177.155 176.600 0.032 0.000 1.174 655 K CA 0.349 56.665 56.287 0.047 0.000 0.951 655 K CB 0.595 33.114 32.500 0.032 0.000 1.040 655 K HN 0.808 nan 8.250 nan 0.000 0.536 656 Q N 1.510 121.324 119.800 0.025 0.000 2.292 656 Q HA 0.409 4.749 4.340 -0.001 0.000 0.270 656 Q C -2.045 173.964 176.000 0.016 0.000 1.024 656 Q CA -0.701 55.107 55.803 0.009 0.000 0.768 656 Q CB 1.553 30.289 28.738 -0.003 0.000 1.250 656 Q HN 0.002 nan 8.270 nan 0.000 0.447 657 L N 5.234 126.466 121.223 0.014 0.000 2.406 657 L HA 0.613 4.953 4.340 -0.001 0.000 0.272 657 L C -1.960 174.914 176.870 0.007 0.000 0.980 657 L CA -0.354 54.491 54.840 0.009 0.000 0.831 657 L CB 1.767 43.829 42.059 0.004 0.000 1.253 657 L HN 0.668 nan 8.230 nan 0.000 0.406 658 I N 5.949 126.525 120.570 0.009 0.000 2.389 658 I HA 0.422 4.591 4.170 -0.001 0.000 0.288 658 I C -0.767 175.375 176.117 0.041 0.000 0.999 658 I CA -0.187 61.125 61.300 0.020 0.000 1.129 658 I CB 1.602 39.615 38.000 0.022 0.000 1.288 658 I HN 0.428 nan 8.210 nan 0.000 0.444 659 L N 7.028 128.292 121.223 0.068 0.000 2.280 659 L HA 0.658 4.998 4.340 -0.001 0.000 0.287 659 L C -0.640 176.404 176.870 0.289 0.000 1.023 659 L CA -0.801 54.135 54.840 0.159 0.000 0.819 659 L CB 1.221 43.392 42.059 0.186 0.000 1.212 659 L HN 0.261 nan 8.230 nan 0.000 0.420 660 V N 2.083 122.132 119.914 0.225 0.000 2.628 660 V HA 0.990 5.110 4.120 -0.001 0.000 0.306 660 V C 0.436 176.557 176.094 0.046 0.000 1.045 660 V CA -0.234 62.184 62.300 0.195 0.000 0.905 660 V CB 1.497 33.374 31.823 0.089 0.000 0.997 660 V HN 0.997 nan 8.190 nan 0.000 0.436 661 G N 2.440 111.186 108.800 -0.090 0.000 2.399 661 G HA2 0.467 4.426 3.960 -0.001 0.000 0.256 661 G HA3 0.467 4.426 3.960 -0.001 0.000 0.256 661 G C -2.218 172.472 174.900 -0.350 0.000 1.236 661 G CA -0.078 44.839 45.100 -0.305 0.000 0.914 661 G HN 0.699 nan 8.290 nan 0.000 0.482 662 D N -1.124 119.044 120.400 -0.388 0.000 2.548 662 D HA 0.262 4.902 4.640 -0.001 0.000 0.214 662 D C 0.666 176.869 176.300 -0.162 0.000 1.345 662 D CA -0.452 53.441 54.000 -0.179 0.000 0.945 662 D CB 0.461 41.219 40.800 -0.069 0.000 1.499 662 D HN 0.553 nan 8.370 nan 0.000 0.579 663 H N 1.357 120.321 119.070 -0.177 0.000 2.547 663 H HA 0.127 4.682 4.556 -0.001 0.000 0.266 663 H C 0.674 175.980 175.328 -0.037 0.000 0.988 663 H CA -0.026 55.973 56.048 -0.081 0.000 1.147 663 H CB -0.595 29.206 29.762 0.065 0.000 1.365 663 H HN 0.222 nan 8.280 nan 0.000 0.589 664 C N 1.063 120.163 119.300 -0.334 0.000 2.754 664 C HA 0.272 4.732 4.460 -0.001 0.000 0.276 664 C C 1.053 175.837 174.990 -0.343 0.000 1.264 664 C CA -0.236 58.575 59.018 -0.346 0.000 1.700 664 C CB -0.798 26.649 27.740 -0.490 0.000 1.885 664 C HN 0.555 nan 8.230 nan 0.000 0.607 665 Q N -0.421 119.259 119.800 -0.200 0.000 3.207 665 Q HA 0.475 4.815 4.340 -0.001 0.000 0.224 665 Q C -0.400 175.537 176.000 -0.104 0.000 1.062 665 Q CA -0.802 54.903 55.803 -0.164 0.000 0.789 665 Q CB 0.376 29.043 28.738 -0.118 0.000 2.631 665 Q HN 0.248 nan 8.270 nan 0.000 0.409 666 L N 1.728 122.908 121.223 -0.072 0.000 2.559 666 L HA 0.120 4.460 4.340 -0.001 0.000 0.274 666 L C 0.600 177.449 176.870 -0.034 0.000 1.205 666 L CA -0.108 54.709 54.840 -0.039 0.000 0.907 666 L CB -0.309 41.737 42.059 -0.023 0.000 1.153 666 L HN 0.634 nan 8.230 nan 0.000 0.490 667 G N 3.971 112.764 108.800 -0.012 0.000 2.531 667 G HA2 0.606 4.566 3.960 -0.001 0.000 0.313 667 G HA3 0.606 4.566 3.960 -0.001 0.000 0.313 667 G C -2.675 172.229 174.900 0.007 0.000 1.238 667 G CA -1.176 43.926 45.100 0.003 0.000 0.994 667 G HN 0.378 nan 8.290 nan 0.000 0.493 668 P HA 0.302 nan 4.420 nan 0.000 0.274 668 P C -0.527 176.786 177.300 0.022 0.000 1.231 668 P CA -0.427 62.683 63.100 0.017 0.000 0.790 668 P CB 1.277 32.993 31.700 0.026 0.000 0.951 669 V N 3.445 123.372 119.914 0.023 0.000 2.383 669 V HA 0.319 4.438 4.120 -0.001 0.000 0.275 669 V C 0.239 176.353 176.094 0.033 0.000 1.036 669 V CA -0.432 61.884 62.300 0.026 0.000 0.889 669 V CB 1.338 33.178 31.823 0.028 0.000 0.985 669 V HN 0.396 nan 8.190 nan 0.000 0.459 670 V N 4.779 124.702 119.914 0.016 0.000 2.444 670 V HA 0.489 4.608 4.120 -0.001 0.000 0.294 670 V C 0.482 176.537 176.094 -0.065 0.000 1.022 670 V CA -0.576 61.726 62.300 0.003 0.000 0.850 670 V CB 1.787 33.613 31.823 0.004 0.000 0.992 670 V HN 0.677 nan 8.190 nan 0.000 0.426 671 M N 2.545 122.086 119.600 -0.099 0.000 2.248 671 M HA 0.108 4.587 4.480 -0.001 0.000 0.265 671 M C 1.324 177.178 176.300 -0.743 0.000 1.079 671 M CA 0.907 56.053 55.300 -0.256 0.000 1.150 671 M CB -0.261 32.315 32.600 -0.040 0.000 1.366 671 M HN 0.802 nan 8.290 nan 0.000 0.433 672 C N 3.666 122.523 119.300 -0.738 0.000 2.610 672 C HA 0.078 4.537 4.460 -0.001 0.000 0.382 672 C C 1.816 176.595 174.990 -0.353 0.000 1.287 672 C CA -0.181 58.384 59.018 -0.754 0.000 1.640 672 C CB -0.739 26.813 27.740 -0.314 0.000 2.335 672 C HN 0.477 nan 8.230 nan 0.000 0.577 673 K N 3.135 123.354 120.400 -0.301 0.000 2.063 673 K HA -0.166 4.153 4.320 -0.001 0.000 0.208 673 K C 2.083 178.634 176.600 -0.082 0.000 1.048 673 K CA 1.758 57.964 56.287 -0.135 0.000 0.928 673 K CB 0.043 32.497 32.500 -0.077 0.000 0.713 673 K HN 0.724 nan 8.250 nan 0.000 0.442 674 K N 0.442 120.801 120.400 -0.068 0.000 1.991 674 K HA -0.164 4.156 4.320 -0.001 0.000 0.212 674 K C 2.275 178.839 176.600 -0.061 0.000 1.049 674 K CA 1.433 57.694 56.287 -0.044 0.000 0.932 674 K CB -0.295 32.191 32.500 -0.024 0.000 0.717 674 K HN 0.135 nan 8.250 nan 0.000 0.441 675 A N 1.541 124.321 122.820 -0.066 0.000 1.927 675 A HA -0.247 4.073 4.320 -0.001 0.000 0.220 675 A C 2.363 179.904 177.584 -0.071 0.000 1.185 675 A CA 2.250 54.249 52.037 -0.062 0.000 0.639 675 A CB -0.830 18.148 19.000 -0.037 0.000 0.820 675 A HN 0.417 nan 8.150 nan 0.000 0.451 676 A N -0.441 122.338 122.820 -0.070 0.000 1.877 676 A HA -0.154 4.165 4.320 -0.001 0.000 0.216 676 A C 2.108 179.660 177.584 -0.054 0.000 1.186 676 A CA 1.792 53.798 52.037 -0.050 0.000 0.620 676 A CB -0.429 18.542 19.000 -0.048 0.000 0.822 676 A HN 0.547 nan 8.150 nan 0.000 0.443 677 K N -0.322 120.048 120.400 -0.051 0.000 2.283 677 K HA 0.061 4.381 4.320 -0.001 0.000 0.202 677 K C 1.851 178.379 176.600 -0.121 0.000 1.048 677 K CA 0.815 57.087 56.287 -0.025 0.000 0.948 677 K CB -0.199 32.306 32.500 0.008 0.000 0.742 677 K HN 0.432 nan 8.250 nan 0.000 0.458 678 A N 0.284 122.958 122.820 -0.244 0.000 2.235 678 A HA 0.150 4.469 4.320 -0.001 0.000 0.208 678 A C 1.434 178.514 177.584 -0.840 0.000 1.172 678 A CA 1.051 52.751 52.037 -0.563 0.000 0.786 678 A CB -0.192 18.632 19.000 -0.293 0.000 0.804 678 A HN 0.421 nan 8.150 nan 0.000 0.479 679 G N -1.863 106.684 108.800 -0.423 0.000 2.229 679 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.189 679 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.189 679 G C 0.722 175.614 174.900 -0.013 0.000 1.000 679 G CA 0.324 45.303 45.100 -0.201 0.000 0.663 679 G HN 0.589 nan 8.290 nan 0.000 0.493 680 L N 2.514 123.735 121.223 -0.004 0.000 2.261 680 L HA 0.119 4.459 4.340 -0.001 0.000 0.216 680 L C 2.602 179.533 176.870 0.102 0.000 1.114 680 L CA 2.894 57.799 54.840 0.108 0.000 0.777 680 L CB -0.281 41.829 42.059 0.084 0.000 0.910 680 L HN 0.713 nan 8.230 nan 0.000 0.440 681 S N -2.046 113.692 115.700 0.064 0.000 2.671 681 S HA 0.015 4.485 4.470 -0.001 0.000 0.220 681 S C 0.832 175.480 174.600 0.081 0.000 0.951 681 S CA -0.394 57.843 58.200 0.062 0.000 0.932 681 S CB -0.474 62.750 63.200 0.040 0.000 0.777 681 S HN 0.584 nan 8.310 nan 0.000 0.508 682 Q N 2.994 122.860 119.800 0.110 0.000 2.360 682 Q HA 0.363 4.703 4.340 -0.001 0.000 0.254 682 Q C -0.010 176.073 176.000 0.139 0.000 0.975 682 Q CA -0.490 55.392 55.803 0.131 0.000 0.912 682 Q CB 0.868 29.698 28.738 0.154 0.000 1.212 682 Q HN 0.526 nan 8.270 nan 0.000 0.452 683 S N 3.104 118.875 115.700 0.117 0.000 2.576 683 S HA -0.054 4.416 4.470 -0.001 0.000 0.272 683 S C 1.095 175.776 174.600 0.135 0.000 1.352 683 S CA -0.607 57.656 58.200 0.105 0.000 1.021 683 S CB 0.686 63.944 63.200 0.096 0.000 0.887 683 S HN 0.801 nan 8.310 nan 0.000 0.542 684 L N 1.734 123.016 121.223 0.098 0.000 2.013 684 L HA -0.023 4.317 4.340 -0.001 0.000 0.212 684 L C 2.047 178.997 176.870 0.132 0.000 1.073 684 L CA 2.018 56.913 54.840 0.092 0.000 0.753 684 L CB -1.372 40.697 42.059 0.017 0.000 0.890 684 L HN 0.849 nan 8.230 nan 0.000 0.432 685 F N 0.690 120.637 119.950 -0.005 0.000 2.065 685 F HA -0.261 4.266 4.527 -0.001 0.000 0.298 685 F C 2.465 178.238 175.800 -0.044 0.000 1.112 685 F CA 2.275 60.264 58.000 -0.018 0.000 1.212 685 F CB -0.436 38.561 39.000 -0.005 0.000 0.975 685 F HN 0.265 nan 8.300 nan 0.000 0.476 686 E N -0.243 120.160 120.200 0.338 0.000 2.058 686 E HA -0.302 4.048 4.350 -0.001 0.000 0.194 686 E C 2.432 179.084 176.600 0.087 0.000 0.997 686 E CA 1.419 57.926 56.400 0.178 0.000 0.801 686 E CB -0.287 29.517 29.700 0.173 0.000 0.746 686 E HN 0.365 nan 8.360 nan 0.000 0.450 687 R N 0.741 121.310 120.500 0.115 0.000 2.081 687 R HA -0.156 4.184 4.340 -0.001 0.000 0.235 687 R C 2.348 178.678 176.300 0.050 0.000 1.131 687 R CA 1.137 57.303 56.100 0.111 0.000 0.960 687 R CB -0.225 30.187 30.300 0.186 0.000 0.856 687 R HN 0.151 nan 8.270 nan 0.000 0.436 688 L N 0.251 121.473 121.223 -0.002 0.000 2.131 688 L HA -0.146 4.194 4.340 -0.001 0.000 0.210 688 L C 2.437 179.244 176.870 -0.106 0.000 1.092 688 L CA 0.753 55.554 54.840 -0.066 0.000 0.759 688 L CB -0.380 41.602 42.059 -0.130 0.000 0.903 688 L HN 0.067 nan 8.230 nan 0.000 0.435 689 V N -0.532 119.292 119.914 -0.150 0.000 2.223 689 V HA -0.266 3.854 4.120 -0.001 0.000 0.244 689 V C 2.434 178.493 176.094 -0.058 0.000 1.045 689 V CA 1.785 63.995 62.300 -0.149 0.000 1.000 689 V CB -0.379 31.304 31.823 -0.233 0.000 0.635 689 V HN 0.183 nan 8.190 nan 0.000 0.445 690 V N -0.329 119.573 119.914 -0.019 0.000 2.546 690 V HA -0.235 3.885 4.120 -0.001 0.000 0.254 690 V C 2.272 178.373 176.094 0.012 0.000 1.076 690 V CA 1.745 64.053 62.300 0.013 0.000 1.087 690 V CB -0.617 31.229 31.823 0.038 0.000 0.674 690 V HN 0.472 nan 8.190 nan 0.000 0.470 691 L N 0.696 121.924 121.223 0.009 0.000 2.551 691 L HA 0.235 4.574 4.340 -0.001 0.000 0.228 691 L C 1.647 178.519 176.870 0.002 0.000 1.153 691 L CA 1.530 56.378 54.840 0.013 0.000 0.851 691 L CB -0.469 41.602 42.059 0.021 0.000 0.959 691 L HN 0.466 nan 8.230 nan 0.000 0.451 692 G N -0.795 107.999 108.800 -0.010 0.000 2.144 692 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.218 692 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.218 692 G C 0.376 175.266 174.900 -0.017 0.000 0.988 692 G CA 0.044 45.139 45.100 -0.008 0.000 0.659 692 G HN 0.269 nan 8.290 nan 0.000 0.522 693 I N 1.269 121.813 120.570 -0.043 0.000 2.396 693 I HA 0.269 4.438 4.170 -0.001 0.000 0.289 693 I C 1.000 177.070 176.117 -0.079 0.000 1.056 693 I CA -0.387 60.877 61.300 -0.059 0.000 1.365 693 I CB 0.694 38.640 38.000 -0.090 0.000 1.407 693 I HN 0.018 nan 8.210 nan 0.000 0.509 694 R N 7.300 127.777 120.500 -0.039 0.000 2.216 694 R HA 0.312 4.651 4.340 -0.001 0.000 0.332 694 R C -2.318 173.968 176.300 -0.022 0.000 1.056 694 R CA -1.512 54.579 56.100 -0.015 0.000 0.901 694 R CB 0.436 30.749 30.300 0.022 0.000 1.039 694 R HN 0.326 nan 8.270 nan 0.000 0.456 695 P HA 0.074 nan 4.420 nan 0.000 0.276 695 P C -0.312 177.039 177.300 0.086 0.000 1.230 695 P CA -0.195 62.906 63.100 0.002 0.000 0.776 695 P CB 0.584 32.335 31.700 0.085 0.000 0.888 696 I N 2.823 123.446 120.570 0.089 0.000 2.598 696 I HA 0.054 4.223 4.170 -0.001 0.000 0.284 696 I C 1.336 177.539 176.117 0.143 0.000 1.140 696 I CA 0.229 61.612 61.300 0.137 0.000 1.420 696 I CB 0.080 38.147 38.000 0.112 0.000 1.387 696 I HN 0.196 nan 8.210 nan 0.000 0.553 697 R N 7.120 127.702 120.500 0.137 0.000 2.265 697 R HA 0.465 4.805 4.340 -0.001 0.000 0.319 697 R C -0.866 175.481 176.300 0.079 0.000 1.006 697 R CA -0.761 55.407 56.100 0.113 0.000 0.880 697 R CB 0.811 31.172 30.300 0.102 0.000 1.077 697 R HN 0.599 nan 8.270 nan 0.000 0.454 698 L N 4.207 125.462 121.223 0.053 0.000 2.367 698 L HA 0.107 4.447 4.340 -0.001 0.000 0.275 698 L C 0.930 177.790 176.870 -0.017 0.000 1.129 698 L CA -0.064 54.793 54.840 0.029 0.000 0.839 698 L CB 1.332 43.406 42.059 0.026 0.000 1.133 698 L HN 0.620 nan 8.230 nan 0.000 0.453 699 Q N 1.861 121.655 119.800 -0.011 0.000 2.378 699 Q HA 0.188 4.527 4.340 -0.001 0.000 0.229 699 Q C -0.416 175.527 176.000 -0.094 0.000 0.882 699 Q CA 0.412 56.191 55.803 -0.041 0.000 0.936 699 Q CB 0.997 29.732 28.738 -0.006 0.000 1.092 699 Q HN 0.501 nan 8.270 nan 0.000 0.535 700 V N 2.497 122.346 119.914 -0.107 0.000 2.417 700 V HA 0.398 4.517 4.120 -0.001 0.000 0.291 700 V C -0.746 175.133 176.094 -0.358 0.000 1.024 700 V CA -0.978 61.165 62.300 -0.261 0.000 0.861 700 V CB 1.382 33.019 31.823 -0.310 0.000 0.985 700 V HN 0.206 nan 8.190 nan 0.000 0.436 701 Q N 3.582 123.145 119.800 -0.395 0.000 2.271 701 Q HA 0.477 4.816 4.340 -0.001 0.000 0.258 701 Q C -0.997 174.747 176.000 -0.425 0.000 0.936 701 Q CA -0.135 55.485 55.803 -0.304 0.000 0.909 701 Q CB 1.106 29.725 28.738 -0.198 0.000 1.253 701 Q HN 0.648 nan 8.270 nan 0.000 0.440 702 Y N 1.401 121.651 120.300 -0.083 0.000 2.531 702 Y HA 0.333 4.882 4.550 -0.001 0.000 0.249 702 Y C 1.687 177.522 175.900 -0.109 0.000 1.168 702 Y CA -0.469 57.580 58.100 -0.086 0.000 1.226 702 Y CB 0.617 39.037 38.460 -0.066 0.000 1.177 702 Y HN 0.716 nan 8.280 nan 0.000 0.527 703 R N 0.258 120.749 120.500 -0.014 0.000 2.064 703 R HA 0.183 4.523 4.340 -0.001 0.000 0.221 703 R C 0.227 176.436 176.300 -0.151 0.000 1.136 703 R CA 0.648 56.705 56.100 -0.072 0.000 0.980 703 R CB 0.179 30.441 30.300 -0.064 0.000 0.876 703 R HN 0.121 nan 8.270 nan 0.000 0.437 704 M N 1.326 120.844 119.600 -0.136 0.000 2.318 704 M HA 0.159 4.639 4.480 -0.001 0.000 0.347 704 M C -0.354 175.867 176.300 -0.132 0.000 1.175 704 M CA -0.750 54.469 55.300 -0.135 0.000 1.075 704 M CB 1.569 34.123 32.600 -0.076 0.000 1.614 704 M HN 0.166 nan 8.290 nan 0.000 0.456 705 H N 4.064 122.997 119.070 -0.229 0.000 3.115 705 H HA -0.028 4.528 4.556 -0.001 0.000 0.324 705 H C -1.955 173.305 175.328 -0.113 0.000 1.007 705 H CA -0.195 55.750 56.048 -0.172 0.000 1.385 705 H CB 0.738 30.395 29.762 -0.174 0.000 1.351 705 H HN 0.402 nan 8.280 nan 0.000 0.592 706 P HA -0.171 nan 4.420 nan 0.000 0.216 706 P C 1.080 178.459 177.300 0.131 0.000 1.150 706 P CA 2.358 65.439 63.100 -0.032 0.000 0.843 706 P CB -0.008 31.621 31.700 -0.119 0.000 0.787 707 A N -1.079 121.952 122.820 0.351 0.000 2.019 707 A HA -0.136 4.183 4.320 -0.001 0.000 0.219 707 A C 2.083 179.742 177.584 0.124 0.000 1.164 707 A CA 1.294 53.445 52.037 0.190 0.000 0.644 707 A CB -1.439 17.599 19.000 0.065 0.000 0.805 707 A HN 0.159 nan 8.150 nan 0.000 0.449 708 L N -0.027 121.257 121.223 0.102 0.000 2.270 708 L HA -0.064 4.276 4.340 -0.001 0.000 0.210 708 L C 2.670 179.600 176.870 0.099 0.000 1.104 708 L CA 1.269 56.151 54.840 0.069 0.000 0.804 708 L CB -0.319 41.745 42.059 0.008 0.000 0.937 708 L HN 0.529 nan 8.230 nan 0.000 0.450 709 S N -0.164 115.579 115.700 0.071 0.000 2.501 709 S HA 0.085 4.555 4.470 -0.001 0.000 0.220 709 S C 2.123 176.768 174.600 0.074 0.000 0.997 709 S CA 0.388 58.621 58.200 0.056 0.000 0.919 709 S CB 0.012 63.209 63.200 -0.006 0.000 0.778 709 S HN 0.274 nan 8.310 nan 0.000 0.523 710 A N 2.203 125.079 122.820 0.092 0.000 1.859 710 A HA -0.066 4.253 4.320 -0.001 0.000 0.217 710 A C 1.920 179.496 177.584 -0.013 0.000 1.198 710 A CA 1.810 53.882 52.037 0.058 0.000 0.629 710 A CB -1.305 17.774 19.000 0.131 0.000 0.830 710 A HN 0.593 nan 8.150 nan 0.000 0.446 711 F N 1.372 121.232 119.950 -0.149 0.000 2.084 711 F HA -0.034 4.492 4.527 -0.001 0.000 0.296 711 F C -0.668 175.080 175.800 -0.086 0.000 1.111 711 F CA 1.917 59.755 58.000 -0.268 0.000 1.224 711 F CB -1.006 37.871 39.000 -0.204 0.000 0.991 711 F HN 0.168 nan 8.300 nan 0.000 0.471 712 P HA -0.184 nan 4.420 nan 0.000 0.216 712 P C 1.992 179.381 177.300 0.148 0.000 1.150 712 P CA 2.056 65.253 63.100 0.162 0.000 0.837 712 P CB -0.210 31.652 31.700 0.270 0.000 0.786 713 S N -0.728 115.039 115.700 0.113 0.000 2.356 713 S HA -0.162 4.308 4.470 -0.001 0.000 0.223 713 S C 1.925 176.510 174.600 -0.025 0.000 1.032 713 S CA 1.487 59.772 58.200 0.142 0.000 1.005 713 S CB -1.089 62.142 63.200 0.052 0.000 0.867 713 S HN 0.015 nan 8.310 nan 0.000 0.449 714 N N 1.547 120.143 118.700 -0.174 0.000 2.149 714 N HA -0.037 4.702 4.740 -0.001 0.000 0.188 714 N C 1.696 176.950 175.510 -0.425 0.000 1.019 714 N CA 1.368 54.253 53.050 -0.275 0.000 0.857 714 N CB -0.445 37.853 38.487 -0.315 0.000 0.997 714 N HN 0.409 nan 8.380 nan 0.000 0.426 715 I N -0.769 119.411 120.570 -0.650 0.000 2.339 715 I HA -0.067 4.103 4.170 -0.001 0.000 0.245 715 I C 1.403 176.956 176.117 -0.939 0.000 1.096 715 I CA 1.033 61.768 61.300 -0.941 0.000 1.408 715 I CB -0.818 36.322 38.000 -1.434 0.000 1.092 715 I HN -0.021 nan 8.210 nan 0.000 0.423 716 F N -1.375 118.244 119.950 -0.552 0.000 2.694 716 F HA 0.075 4.602 4.527 -0.001 0.000 0.292 716 F C 1.100 176.341 175.800 -0.932 0.000 1.121 716 F CA 0.199 57.706 58.000 -0.821 0.000 1.352 716 F CB 0.051 38.358 39.000 -1.155 0.000 1.107 716 F HN -0.079 nan 8.300 nan 0.000 0.597 717 Y N 0.587 120.876 120.300 -0.018 0.000 2.715 717 Y HA 0.153 4.703 4.550 -0.000 0.000 0.255 717 Y C 0.386 176.254 175.900 -0.054 0.000 1.139 717 Y CA -0.954 57.132 58.100 -0.023 0.000 1.151 717 Y CB -0.441 38.009 38.460 -0.016 0.000 1.201 717 Y HN 0.050 nan 8.280 nan 0.000 0.556 718 E N -0.422 119.760 120.200 -0.030 0.000 2.257 718 E HA -0.311 4.039 4.350 -0.001 0.000 0.224 718 E C 0.976 177.553 176.600 -0.037 0.000 1.286 718 E CA 0.986 57.350 56.400 -0.060 0.000 0.716 718 E CB -2.085 27.589 29.700 -0.043 0.000 1.159 718 E HN 0.848 nan 8.360 nan 0.000 0.367 719 G N 0.077 108.857 108.800 -0.034 0.000 2.203 719 G HA2 -0.432 3.527 3.960 -0.001 0.000 0.263 719 G HA3 -0.432 3.527 3.960 -0.001 0.000 0.263 719 G C 0.758 175.653 174.900 -0.008 0.000 1.012 719 G CA 1.457 46.539 45.100 -0.030 0.000 0.749 719 G HN 1.210 nan 8.290 nan 0.000 0.512 720 S N -1.190 114.523 115.700 0.022 0.000 2.486 720 S HA 0.336 4.805 4.470 -0.001 0.000 0.220 720 S C 1.274 175.863 174.600 -0.019 0.000 1.011 720 S CA 0.000 58.204 58.200 0.007 0.000 0.921 720 S CB 0.154 63.370 63.200 0.027 0.000 0.785 720 S HN 0.538 nan 8.310 nan 0.000 0.517 721 L N 2.604 123.812 121.223 -0.025 0.000 2.601 721 L HA 0.079 4.419 4.340 -0.001 0.000 0.277 721 L C 0.547 177.362 176.870 -0.091 0.000 1.219 721 L CA 0.207 54.995 54.840 -0.087 0.000 0.915 721 L CB 0.338 42.328 42.059 -0.114 0.000 1.160 721 L HN 0.535 nan 8.230 nan 0.000 0.494 722 Q N 4.103 123.833 119.800 -0.117 0.000 2.235 722 Q HA 0.189 4.529 4.340 -0.001 0.000 0.250 722 Q C -0.718 175.171 176.000 -0.184 0.000 0.909 722 Q CA -0.851 54.876 55.803 -0.128 0.000 0.910 722 Q CB 1.215 29.883 28.738 -0.117 0.000 1.223 722 Q HN 0.513 nan 8.270 nan 0.000 0.432 723 N N 2.605 121.205 118.700 -0.168 0.000 2.414 723 N HA 0.136 4.876 4.740 -0.001 0.000 0.256 723 N C 0.162 175.522 175.510 -0.251 0.000 1.029 723 N CA 0.133 53.061 53.050 -0.202 0.000 0.948 723 N CB 1.622 40.018 38.487 -0.151 0.000 1.102 723 N HN 0.877 nan 8.380 nan 0.000 0.496 724 G N 0.681 109.239 108.800 -0.404 0.000 2.985 724 G HA2 0.130 4.090 3.960 -0.001 0.000 0.209 724 G HA3 0.130 4.090 3.960 -0.001 0.000 0.209 724 G C 0.395 175.203 174.900 -0.153 0.000 1.165 724 G CA 0.143 44.980 45.100 -0.438 0.000 0.776 724 G HN 0.438 nan 8.290 nan 0.000 0.541 725 V N -1.685 118.142 119.914 -0.146 0.000 2.823 725 V HA 0.794 4.913 4.120 -0.001 0.000 0.312 725 V C 0.172 176.186 176.094 -0.134 0.000 1.072 725 V CA -0.504 61.742 62.300 -0.091 0.000 0.937 725 V CB 1.087 32.855 31.823 -0.090 0.000 1.013 725 V HN 0.156 nan 8.190 nan 0.000 0.430 726 T N 0.646 115.131 114.554 -0.116 0.000 2.770 726 T HA 0.653 5.003 4.350 -0.001 0.000 0.281 726 T C 1.444 175.997 174.700 -0.246 0.000 0.981 726 T CA 0.177 62.190 62.100 -0.145 0.000 0.955 726 T CB 1.280 70.097 68.868 -0.084 0.000 1.060 726 T HN 1.514 nan 8.240 nan 0.000 0.531 727 A N 0.791 123.437 122.820 -0.290 0.000 1.865 727 A HA 0.125 4.444 4.320 -0.001 0.000 0.217 727 A C 2.722 180.229 177.584 -0.127 0.000 1.191 727 A CA 2.201 53.992 52.037 -0.409 0.000 0.623 727 A CB -1.711 17.166 19.000 -0.205 0.000 0.826 727 A HN 1.299 nan 8.150 nan 0.000 0.444 728 A N 0.113 122.909 122.820 -0.040 0.000 1.917 728 A HA -0.264 4.056 4.320 -0.001 0.000 0.219 728 A C 1.673 179.283 177.584 0.043 0.000 1.182 728 A CA 2.042 54.096 52.037 0.028 0.000 0.633 728 A CB -0.789 18.226 19.000 0.025 0.000 0.819 728 A HN 0.506 nan 8.150 nan 0.000 0.448 729 D N -1.017 119.382 120.400 -0.003 0.000 2.351 729 D HA -0.072 4.568 4.640 -0.001 0.000 0.216 729 D C 0.884 177.212 176.300 0.046 0.000 0.968 729 D CA 0.725 54.735 54.000 0.016 0.000 0.899 729 D CB -0.027 40.756 40.800 -0.029 0.000 0.907 729 D HN 0.182 nan 8.370 nan 0.000 0.514 730 R N 0.287 120.813 120.500 0.043 0.000 2.727 730 R HA 0.246 4.586 4.340 -0.001 0.000 0.410 730 R C -0.809 175.739 176.300 0.413 0.000 1.101 730 R CA -0.270 55.855 56.100 0.041 0.000 1.045 730 R CB 0.903 31.087 30.300 -0.193 0.000 1.380 730 R HN -0.093 nan 8.270 nan 0.000 0.587 731 V N 1.386 121.543 119.914 0.405 0.000 2.378 731 V HA 0.272 4.392 4.120 -0.001 0.000 0.288 731 V C 0.192 176.450 176.094 0.274 0.000 1.016 731 V CA -1.122 61.397 62.300 0.366 0.000 0.840 731 V CB 2.346 34.331 31.823 0.270 0.000 0.994 731 V HN -0.003 nan 8.190 nan 0.000 0.431 732 K N 4.928 125.386 120.400 0.097 0.000 2.416 732 K HA 0.162 4.481 4.320 -0.001 0.000 0.283 732 K C 0.284 176.952 176.600 0.114 0.000 1.037 732 K CA 0.014 56.210 56.287 -0.151 0.000 0.995 732 K CB 0.337 32.568 32.500 -0.448 0.000 0.938 732 K HN 0.444 nan 8.250 nan 0.000 0.475 733 K N 2.781 123.228 120.400 0.078 0.000 2.412 733 K HA 0.072 4.391 4.320 -0.001 0.000 0.281 733 K C 0.706 177.393 176.600 0.145 0.000 1.027 733 K CA 0.850 57.203 56.287 0.111 0.000 0.989 733 K CB 0.540 33.085 32.500 0.076 0.000 0.935 733 K HN 0.945 nan 8.250 nan 0.000 0.475 734 G N 2.914 111.802 108.800 0.148 0.000 2.296 734 G HA2 -0.299 3.661 3.960 -0.001 0.000 0.282 734 G HA3 -0.299 3.661 3.960 -0.001 0.000 0.282 734 G C -0.183 174.829 174.900 0.187 0.000 1.014 734 G CA 0.205 45.386 45.100 0.134 0.000 0.812 734 G HN 0.565 nan 8.290 nan 0.000 0.508 735 F N 1.970 121.965 119.950 0.076 0.000 2.351 735 F HA 0.420 4.946 4.527 -0.001 0.000 0.362 735 F C -0.090 175.781 175.800 0.120 0.000 1.131 735 F CA -1.905 56.149 58.000 0.090 0.000 1.187 735 F CB 0.577 39.651 39.000 0.123 0.000 1.434 735 F HN 0.051 nan 8.300 nan 0.000 0.553 736 D N 7.213 127.474 120.400 -0.231 0.000 2.494 736 D HA 0.075 4.714 4.640 -0.001 0.000 0.217 736 D C -0.952 175.135 176.300 -0.355 0.000 1.153 736 D CA 0.429 54.311 54.000 -0.197 0.000 0.954 736 D CB 0.219 40.959 40.800 -0.100 0.000 1.034 736 D HN 0.359 nan 8.370 nan 0.000 0.518 737 F N 1.706 121.296 119.950 -0.600 0.000 2.529 737 F HA 0.234 4.761 4.527 -0.001 0.000 0.320 737 F C -0.420 175.125 175.800 -0.424 0.000 1.118 737 F CA -1.038 56.567 58.000 -0.658 0.000 0.915 737 F CB 1.941 40.328 39.000 -1.020 0.000 1.161 737 F HN -0.135 nan 8.300 nan 0.000 0.445 738 Q N 6.104 125.456 119.800 -0.747 0.000 2.390 738 Q HA 0.274 4.613 4.340 -0.001 0.000 0.249 738 Q C -1.690 174.025 176.000 -0.475 0.000 0.996 738 Q CA -0.233 55.318 55.803 -0.421 0.000 0.899 738 Q CB 0.368 28.912 28.738 -0.323 0.000 1.216 738 Q HN 0.596 nan 8.270 nan 0.000 0.465 739 W N 6.168 127.514 121.300 0.077 0.000 2.181 739 W HA 0.196 4.855 4.660 -0.001 0.000 0.335 739 W C -1.287 175.213 176.519 -0.031 0.000 1.310 739 W CA -1.596 55.839 57.345 0.150 0.000 1.226 739 W CB 0.264 29.886 29.460 0.270 0.000 1.155 739 W HN 0.669 nan 8.180 nan 0.000 0.565 740 P HA -0.215 nan 4.420 nan 0.000 0.215 740 P C 0.080 177.424 177.300 0.073 0.000 1.157 740 P CA 1.707 64.790 63.100 -0.028 0.000 0.874 740 P CB 0.214 31.849 31.700 -0.109 0.000 0.790 741 Q N -1.121 118.768 119.800 0.148 0.000 2.431 741 Q HA 0.198 4.538 4.340 -0.001 0.000 0.249 741 Q C -1.929 174.168 176.000 0.161 0.000 1.025 741 Q CA -1.927 53.943 55.803 0.113 0.000 0.835 741 Q CB 1.145 29.920 28.738 0.062 0.000 1.207 741 Q HN 0.133 nan 8.270 nan 0.000 0.490 742 P HA -0.180 nan 4.420 nan 0.000 0.218 742 P C 0.518 177.915 177.300 0.162 0.000 1.146 742 P CA 1.365 64.598 63.100 0.223 0.000 0.813 742 P CB 0.376 32.171 31.700 0.158 0.000 0.778 743 D N -2.049 118.403 120.400 0.086 0.000 2.349 743 D HA 0.030 4.670 4.640 -0.001 0.000 0.214 743 D C 0.133 176.406 176.300 -0.045 0.000 1.063 743 D CA 0.269 54.301 54.000 0.054 0.000 0.847 743 D CB -0.259 40.587 40.800 0.076 0.000 0.933 743 D HN 0.062 nan 8.370 nan 0.000 0.513 744 K N 1.863 122.198 120.400 -0.109 0.000 2.473 744 K HA 0.294 4.613 4.320 -0.001 0.000 0.246 744 K C -2.443 173.889 176.600 -0.447 0.000 1.011 744 K CA -1.732 54.408 56.287 -0.244 0.000 0.984 744 K CB 2.229 34.648 32.500 -0.135 0.000 1.250 744 K HN -0.109 nan 8.250 nan 0.000 0.454 745 P HA -0.010 nan 4.420 nan 0.000 0.232 745 P C -0.953 175.710 177.300 -1.062 0.000 1.738 745 P CA 0.092 62.271 63.100 -1.535 0.000 0.948 745 P CB -0.365 30.592 31.700 -1.239 0.000 1.943 746 M N 0.539 119.874 119.600 -0.441 0.000 2.534 746 M HA 0.745 5.224 4.480 -0.001 0.000 0.280 746 M C -1.752 174.794 176.300 0.410 0.000 1.217 746 M CA -1.174 54.109 55.300 -0.028 0.000 0.893 746 M CB 2.339 34.872 32.600 -0.111 0.000 1.730 746 M HN -0.081 nan 8.290 nan 0.000 0.483 747 F N -0.451 119.739 119.950 0.401 0.000 2.693 747 F HA 0.772 5.299 4.527 -0.001 0.000 0.309 747 F C -2.389 173.757 175.800 0.576 0.000 1.129 747 F CA -1.241 57.033 58.000 0.457 0.000 0.948 747 F CB 1.283 40.531 39.000 0.414 0.000 1.315 747 F HN 0.629 nan 8.300 nan 0.000 0.447 748 F N 3.088 123.445 119.950 0.678 0.000 2.385 748 F HA 0.481 5.008 4.527 -0.001 0.000 0.360 748 F C -1.195 174.925 175.800 0.533 0.000 1.122 748 F CA -0.929 57.332 58.000 0.434 0.000 1.090 748 F CB 0.717 39.870 39.000 0.256 0.000 1.150 748 F HN 0.600 nan 8.300 nan 0.000 0.472 749 Y N 7.116 127.551 120.300 0.225 0.000 2.454 749 Y HA 0.437 4.986 4.550 -0.001 0.000 0.345 749 Y C -0.785 175.226 175.900 0.186 0.000 0.970 749 Y CA -1.092 57.195 58.100 0.312 0.000 1.204 749 Y CB 0.484 39.130 38.460 0.309 0.000 1.122 749 Y HN 0.311 nan 8.280 nan 0.000 0.514 750 V N 6.833 126.755 119.914 0.014 0.000 2.485 750 V HA 0.199 4.318 4.120 -0.001 0.000 0.287 750 V C 0.040 175.948 176.094 -0.310 0.000 1.022 750 V CA 0.439 62.749 62.300 0.017 0.000 1.067 750 V CB 0.158 32.040 31.823 0.099 0.000 0.967 750 V HN 0.880 nan 8.190 nan 0.000 0.479 751 T N 4.352 118.807 114.554 -0.166 0.000 2.912 751 T HA 0.512 4.862 4.350 -0.001 0.000 0.299 751 T C -0.209 174.458 174.700 -0.054 0.000 1.052 751 T CA -0.713 61.300 62.100 -0.146 0.000 0.996 751 T CB 2.156 70.945 68.868 -0.130 0.000 1.070 751 T HN 0.599 nan 8.240 nan 0.000 0.465 752 Q N 0.448 120.220 119.800 -0.046 0.000 2.089 752 Q HA 0.287 4.626 4.340 -0.001 0.000 0.248 752 Q C 0.754 176.734 176.000 -0.033 0.000 0.828 752 Q CA -0.608 55.179 55.803 -0.027 0.000 1.102 752 Q CB 1.254 29.985 28.738 -0.013 0.000 1.221 752 Q HN 0.896 nan 8.270 nan 0.000 0.455 753 G N 1.388 110.164 108.800 -0.041 0.000 2.606 753 G HA2 0.151 4.111 3.960 -0.001 0.000 0.252 753 G HA3 0.151 4.111 3.960 -0.001 0.000 0.252 753 G C -0.063 174.803 174.900 -0.056 0.000 1.206 753 G CA -0.331 44.742 45.100 -0.045 0.000 0.861 753 G HN 0.256 nan 8.290 nan 0.000 0.561 754 Q N -0.307 119.458 119.800 -0.058 0.000 2.327 754 Q HA 0.318 4.658 4.340 -0.001 0.000 0.254 754 Q C -0.175 175.775 176.000 -0.082 0.000 0.952 754 Q CA -0.461 55.305 55.803 -0.062 0.000 0.884 754 Q CB 0.971 29.678 28.738 -0.051 0.000 1.224 754 Q HN 0.675 nan 8.270 nan 0.000 0.422 755 E N 1.916 122.065 120.200 -0.085 0.000 2.366 755 E HA 0.186 4.536 4.350 -0.001 0.000 0.266 755 E C -0.588 175.988 176.600 -0.040 0.000 1.051 755 E CA -0.692 55.654 56.400 -0.089 0.000 0.884 755 E CB 0.771 30.391 29.700 -0.133 0.000 1.006 755 E HN 0.728 nan 8.360 nan 0.000 0.417 756 E N 1.914 122.087 120.200 -0.045 0.000 2.416 756 E HA 0.430 4.780 4.350 -0.001 0.000 0.273 756 E C -0.902 175.627 176.600 -0.120 0.000 0.935 756 E CA -1.003 55.361 56.400 -0.059 0.000 0.784 756 E CB 1.169 30.804 29.700 -0.109 0.000 1.301 756 E HN 0.473 nan 8.360 nan 0.000 0.454 757 I N 1.512 121.953 120.570 -0.216 0.000 2.581 757 I HA 0.300 4.470 4.170 -0.001 0.000 0.288 757 I C 0.552 176.531 176.117 -0.231 0.000 1.047 757 I CA -0.505 60.568 61.300 -0.378 0.000 1.374 757 I CB 1.334 39.113 38.000 -0.368 0.000 1.423 757 I HN 0.693 nan 8.210 nan 0.000 0.549 758 A N 3.874 126.566 122.820 -0.213 0.000 2.498 758 A HA 0.118 4.437 4.320 -0.001 0.000 0.239 758 A C 1.351 178.882 177.584 -0.089 0.000 1.068 758 A CA 0.273 52.238 52.037 -0.120 0.000 0.766 758 A CB 0.133 19.086 19.000 -0.077 0.000 1.003 758 A HN 0.924 nan 8.150 nan 0.000 0.497 759 S N 1.125 116.790 115.700 -0.058 0.000 2.419 759 S HA -0.028 4.441 4.470 -0.001 0.000 0.233 759 S C 0.946 175.530 174.600 -0.026 0.000 1.016 759 S CA 1.229 59.405 58.200 -0.040 0.000 0.974 759 S CB -0.165 63.020 63.200 -0.025 0.000 0.786 759 S HN 0.863 nan 8.310 nan 0.000 0.492 760 S N 0.516 116.207 115.700 -0.016 0.000 2.653 760 S HA 0.656 5.125 4.470 -0.001 0.000 0.272 760 S C 0.033 174.629 174.600 -0.006 0.000 1.221 760 S CA 0.093 58.291 58.200 -0.002 0.000 1.149 760 S CB 0.285 63.495 63.200 0.017 0.000 1.029 760 S HN 1.093 nan 8.310 nan 0.000 0.481 761 G N 2.191 110.978 108.800 -0.021 0.000 2.270 761 G HA2 0.047 4.006 3.960 -0.001 0.000 0.268 761 G HA3 0.047 4.006 3.960 -0.001 0.000 0.268 761 G C -0.001 174.859 174.900 -0.067 0.000 1.312 761 G CA 0.149 45.233 45.100 -0.026 0.000 1.050 761 G HN 1.058 nan 8.290 nan 0.000 0.474 762 T N -2.622 111.886 114.554 -0.077 0.000 3.262 762 T HA 0.626 4.976 4.350 -0.001 0.000 0.300 762 T C 0.672 175.259 174.700 -0.189 0.000 0.959 762 T CA 1.159 63.179 62.100 -0.132 0.000 0.936 762 T CB 0.455 69.283 68.868 -0.067 0.000 1.169 762 T HN 1.328 nan 8.240 nan 0.000 0.532 763 S N 0.181 115.800 115.700 -0.136 0.000 2.707 763 S HA 0.700 5.170 4.470 -0.001 0.000 0.276 763 S C -0.959 173.452 174.600 -0.314 0.000 1.179 763 S CA -0.541 57.624 58.200 -0.060 0.000 0.992 763 S CB 0.515 63.775 63.200 0.101 0.000 1.030 763 S HN 0.353 nan 8.310 nan 0.000 0.554 764 Y N 0.803 120.964 120.300 -0.232 0.000 2.419 764 Y HA 0.611 5.161 4.550 -0.001 0.000 0.328 764 Y C 0.214 175.924 175.900 -0.317 0.000 1.162 764 Y CA -0.761 57.080 58.100 -0.432 0.000 1.174 764 Y CB 1.299 39.234 38.460 -0.874 0.000 1.228 764 Y HN 0.641 nan 8.280 nan 0.000 0.473 765 L N 0.036 121.184 121.223 -0.126 0.000 2.359 765 L HA 0.722 5.061 4.340 -0.001 0.000 0.256 765 L C -1.332 175.428 176.870 -0.184 0.000 1.026 765 L CA -0.976 53.776 54.840 -0.146 0.000 0.828 765 L CB 2.186 44.128 42.059 -0.195 0.000 1.406 765 L HN 0.502 nan 8.230 nan 0.000 0.413 766 N N 0.330 118.918 118.700 -0.186 0.000 2.577 766 N HA 0.389 5.129 4.740 -0.001 0.000 0.275 766 N C 0.083 175.466 175.510 -0.211 0.000 1.091 766 N CA -0.430 52.513 53.050 -0.179 0.000 0.843 766 N CB 1.901 40.316 38.487 -0.119 0.000 1.295 766 N HN 0.824 nan 8.380 nan 0.000 0.530 767 R N 0.670 120.988 120.500 -0.303 0.000 2.073 767 R HA -0.071 4.269 4.340 -0.001 0.000 0.234 767 R C 1.417 177.630 176.300 -0.145 0.000 1.134 767 R CA 1.898 57.824 56.100 -0.290 0.000 0.952 767 R CB -0.289 29.841 30.300 -0.282 0.000 0.850 767 R HN 0.451 nan 8.270 nan 0.000 0.433 768 T N 0.920 115.409 114.554 -0.108 0.000 2.624 768 T HA -0.256 4.093 4.350 -0.001 0.000 0.268 768 T C 1.703 176.374 174.700 -0.049 0.000 1.041 768 T CA 1.783 63.846 62.100 -0.063 0.000 1.159 768 T CB -0.241 68.598 68.868 -0.049 0.000 0.863 768 T HN 0.397 nan 8.240 nan 0.000 0.434 769 E N 0.382 120.551 120.200 -0.051 0.000 2.077 769 E HA -0.100 4.249 4.350 -0.001 0.000 0.193 769 E C 2.463 179.062 176.600 -0.001 0.000 0.989 769 E CA 0.897 57.288 56.400 -0.015 0.000 0.800 769 E CB -0.195 29.490 29.700 -0.025 0.000 0.746 769 E HN 0.484 nan 8.360 nan 0.000 0.452 770 A N 1.137 123.939 122.820 -0.030 0.000 1.902 770 A HA -0.139 4.180 4.320 -0.001 0.000 0.217 770 A C 2.361 179.838 177.584 -0.178 0.000 1.181 770 A CA 1.746 53.761 52.037 -0.037 0.000 0.623 770 A CB -0.707 18.350 19.000 0.095 0.000 0.818 770 A HN 0.382 nan 8.150 nan 0.000 0.443 771 A N 0.357 122.995 122.820 -0.303 0.000 1.883 771 A HA -0.240 4.080 4.320 -0.001 0.000 0.217 771 A C 1.928 179.533 177.584 0.037 0.000 1.186 771 A CA 2.087 53.987 52.037 -0.227 0.000 0.624 771 A CB -0.707 18.223 19.000 -0.117 0.000 0.822 771 A HN 0.543 nan 8.150 nan 0.000 0.444 772 N N -0.013 118.727 118.700 0.067 0.000 2.120 772 N HA -0.109 4.631 4.740 -0.001 0.000 0.188 772 N C 1.606 177.190 175.510 0.124 0.000 1.024 772 N CA 1.477 54.619 53.050 0.153 0.000 0.852 772 N CB -0.635 38.021 38.487 0.282 0.000 1.003 772 N HN 0.234 nan 8.380 nan 0.000 0.424 773 V N 1.639 121.613 119.914 0.100 0.000 2.332 773 V HA -0.269 3.851 4.120 -0.001 0.000 0.248 773 V C 2.390 178.553 176.094 0.114 0.000 1.055 773 V CA 2.156 64.514 62.300 0.097 0.000 1.038 773 V CB -0.732 31.145 31.823 0.090 0.000 0.651 773 V HN 0.474 nan 8.190 nan 0.000 0.450 774 E N 1.194 121.477 120.200 0.139 0.000 2.058 774 E HA -0.274 4.075 4.350 -0.001 0.000 0.194 774 E C 2.001 178.697 176.600 0.161 0.000 0.997 774 E CA 1.890 58.392 56.400 0.171 0.000 0.801 774 E CB -0.549 29.290 29.700 0.231 0.000 0.746 774 E HN 0.520 nan 8.360 nan 0.000 0.450 775 K N 0.285 120.768 120.400 0.138 0.000 2.063 775 K HA -0.099 4.221 4.320 -0.001 0.000 0.208 775 K C 2.168 178.816 176.600 0.081 0.000 1.048 775 K CA 1.873 58.220 56.287 0.100 0.000 0.928 775 K CB -0.239 32.306 32.500 0.074 0.000 0.713 775 K HN 0.241 nan 8.250 nan 0.000 0.442 776 I N 0.840 121.455 120.570 0.074 0.000 2.202 776 I HA -0.231 3.939 4.170 -0.001 0.000 0.242 776 I C 2.057 178.223 176.117 0.081 0.000 1.091 776 I CA 1.477 62.823 61.300 0.078 0.000 1.368 776 I CB -1.348 36.681 38.000 0.049 0.000 1.058 776 I HN 0.200 nan 8.210 nan 0.000 0.410 777 T N 0.791 115.406 114.554 0.102 0.000 2.684 777 T HA -0.160 4.190 4.350 -0.001 0.000 0.267 777 T C 1.941 176.711 174.700 0.118 0.000 1.036 777 T CA 2.174 64.344 62.100 0.117 0.000 1.148 777 T CB -0.452 68.535 68.868 0.198 0.000 0.863 777 T HN 0.360 nan 8.240 nan 0.000 0.436 778 T N 1.794 116.450 114.554 0.170 0.000 2.746 778 T HA -0.055 4.294 4.350 -0.001 0.000 0.267 778 T C 2.023 176.762 174.700 0.064 0.000 1.039 778 T CA 1.007 63.190 62.100 0.139 0.000 1.142 778 T CB -0.137 68.839 68.868 0.181 0.000 0.866 778 T HN 0.393 nan 8.240 nan 0.000 0.444 779 K N 0.578 121.021 120.400 0.071 0.000 2.026 779 K HA 0.014 4.334 4.320 -0.001 0.000 0.208 779 K C 2.278 178.927 176.600 0.081 0.000 1.048 779 K CA 1.038 57.368 56.287 0.072 0.000 0.929 779 K CB -0.389 32.176 32.500 0.109 0.000 0.713 779 K HN 0.288 nan 8.250 nan 0.000 0.439 780 L N 0.916 122.154 121.223 0.025 0.000 2.012 780 L HA -0.242 4.097 4.340 -0.001 0.000 0.210 780 L C 2.390 179.254 176.870 -0.010 0.000 1.073 780 L CA 1.275 56.036 54.840 -0.131 0.000 0.748 780 L CB -0.537 41.341 42.059 -0.302 0.000 0.891 780 L HN 0.174 nan 8.230 nan 0.000 0.431 781 L N -0.475 120.744 121.223 -0.007 0.000 2.017 781 L HA -0.229 4.110 4.340 -0.001 0.000 0.208 781 L C 2.612 179.480 176.870 -0.003 0.000 1.073 781 L CA 1.441 56.279 54.840 -0.003 0.000 0.745 781 L CB -0.524 41.498 42.059 -0.063 0.000 0.894 781 L HN 0.182 nan 8.230 nan 0.000 0.432 782 K N -0.021 120.368 120.400 -0.017 0.000 2.209 782 K HA -0.109 4.211 4.320 -0.001 0.000 0.204 782 K C 1.977 178.543 176.600 -0.057 0.000 1.048 782 K CA 1.208 57.476 56.287 -0.031 0.000 0.940 782 K CB -0.173 32.307 32.500 -0.034 0.000 0.729 782 K HN 0.308 nan 8.250 nan 0.000 0.451 783 A N -0.088 122.674 122.820 -0.097 0.000 2.208 783 A HA 0.173 4.493 4.320 -0.001 0.000 0.209 783 A C 1.430 178.952 177.584 -0.104 0.000 1.161 783 A CA 1.076 52.961 52.037 -0.253 0.000 0.782 783 A CB 0.072 18.692 19.000 -0.633 0.000 0.816 783 A HN 0.418 nan 8.150 nan 0.000 0.477 784 G N -2.471 106.387 108.800 0.097 0.000 2.367 784 G HA2 0.235 4.195 3.960 -0.001 0.000 0.181 784 G HA3 0.235 4.195 3.960 -0.001 0.000 0.181 784 G C 0.433 175.483 174.900 0.251 0.000 1.000 784 G CA 0.008 45.234 45.100 0.210 0.000 0.693 784 G HN 1.305 nan 8.290 nan 0.000 0.480 785 A N 0.404 123.407 122.820 0.305 0.000 2.386 785 A HA 0.685 5.005 4.320 -0.001 0.000 0.248 785 A C 0.364 178.010 177.584 0.104 0.000 1.082 785 A CA 0.462 52.611 52.037 0.186 0.000 0.789 785 A CB 0.415 19.504 19.000 0.149 0.000 1.025 785 A HN 0.333 nan 8.150 nan 0.000 0.490 786 K N 1.676 122.129 120.400 0.090 0.000 2.164 786 K HA 0.376 4.696 4.320 -0.001 0.000 0.258 786 K C -2.021 174.615 176.600 0.061 0.000 0.951 786 K CA -1.877 54.444 56.287 0.057 0.000 0.844 786 K CB 1.549 34.079 32.500 0.050 0.000 1.099 786 K HN 0.299 nan 8.250 nan 0.000 0.435 787 P HA -0.245 nan 4.420 nan 0.000 0.216 787 P C 0.391 177.733 177.300 0.070 0.000 1.154 787 P CA 1.464 64.585 63.100 0.035 0.000 0.865 787 P CB 0.119 31.822 31.700 0.005 0.000 0.789 788 D N -0.980 119.462 120.400 0.070 0.000 2.371 788 D HA -0.145 4.494 4.640 -0.001 0.000 0.221 788 D C 1.386 177.744 176.300 0.096 0.000 0.986 788 D CA 0.816 54.867 54.000 0.084 0.000 0.899 788 D CB -1.040 39.802 40.800 0.070 0.000 0.902 788 D HN 0.293 nan 8.370 nan 0.000 0.530 789 Q N -0.270 119.590 119.800 0.099 0.000 2.360 789 Q HA 0.291 4.630 4.340 -0.001 0.000 0.202 789 Q C 0.199 176.293 176.000 0.157 0.000 0.915 789 Q CA 0.155 56.021 55.803 0.105 0.000 0.943 789 Q CB 0.873 29.669 28.738 0.096 0.000 1.064 789 Q HN 0.366 nan 8.270 nan 0.000 0.511 790 I N 0.182 120.848 120.570 0.161 0.000 2.474 790 I HA 0.496 4.665 4.170 -0.001 0.000 0.294 790 I C 0.017 176.227 176.117 0.154 0.000 1.005 790 I CA -0.988 60.415 61.300 0.173 0.000 1.113 790 I CB 2.047 40.136 38.000 0.147 0.000 1.289 790 I HN -0.116 nan 8.210 nan 0.000 0.436 791 G N 6.218 115.085 108.800 0.111 0.000 2.542 791 G HA2 0.779 4.739 3.960 -0.001 0.000 0.311 791 G HA3 0.779 4.739 3.960 -0.001 0.000 0.311 791 G C -1.066 173.843 174.900 0.015 0.000 1.298 791 G CA -0.492 44.670 45.100 0.104 0.000 0.973 791 G HN 0.464 nan 8.290 nan 0.000 0.487 792 I N 1.717 122.355 120.570 0.114 0.000 2.378 792 I HA 0.385 4.554 4.170 -0.001 0.000 0.291 792 I C -0.503 175.692 176.117 0.131 0.000 0.992 792 I CA -0.601 60.752 61.300 0.089 0.000 1.154 792 I CB 1.907 39.987 38.000 0.133 0.000 1.315 792 I HN 0.187 nan 8.210 nan 0.000 0.448 793 I N 5.234 125.846 120.570 0.070 0.000 2.362 793 I HA 0.437 4.607 4.170 -0.001 0.000 0.289 793 I C -0.007 176.326 176.117 0.360 0.000 0.994 793 I CA -0.220 61.199 61.300 0.197 0.000 1.158 793 I CB 1.912 39.956 38.000 0.074 0.000 1.315 793 I HN 0.481 nan 8.210 nan 0.000 0.451 794 T N 6.102 120.861 114.554 0.342 0.000 2.916 794 T HA 0.451 4.800 4.350 -0.001 0.000 0.305 794 T C -2.329 172.411 174.700 0.066 0.000 1.119 794 T CA -1.669 60.594 62.100 0.272 0.000 1.008 794 T CB 2.095 71.095 68.868 0.219 0.000 1.129 794 T HN 0.235 nan 8.240 nan 0.000 0.480 795 P HA 0.163 nan 4.420 nan 0.000 0.231 795 P C -0.708 176.320 177.300 -0.453 0.000 1.168 795 P CA 0.528 63.347 63.100 -0.467 0.000 0.779 795 P CB 0.012 31.182 31.700 -0.884 0.000 0.844 796 Y N -0.560 119.725 120.300 -0.025 0.000 2.341 796 Y HA 0.230 4.779 4.550 -0.001 0.000 0.337 796 Y C 1.805 177.731 175.900 0.045 0.000 1.014 796 Y CA -0.706 57.405 58.100 0.019 0.000 1.111 796 Y CB 1.254 39.736 38.460 0.036 0.000 1.194 796 Y HN -0.261 nan 8.280 nan 0.000 0.462 797 E N 2.282 122.592 120.200 0.184 0.000 2.118 797 E HA -0.135 4.215 4.350 -0.001 0.000 0.195 797 E C 2.181 178.867 176.600 0.143 0.000 0.992 797 E CA 1.839 58.319 56.400 0.134 0.000 0.804 797 E CB -0.353 29.406 29.700 0.100 0.000 0.741 797 E HN 0.966 nan 8.360 nan 0.000 0.458 798 G N 0.048 108.942 108.800 0.156 0.000 2.476 798 G HA2 -0.379 3.581 3.960 -0.001 0.000 0.218 798 G HA3 -0.379 3.581 3.960 -0.001 0.000 0.218 798 G C 1.678 176.659 174.900 0.136 0.000 1.164 798 G CA 1.114 46.275 45.100 0.103 0.000 0.768 798 G HN 0.390 nan 8.290 nan 0.000 0.560 799 Q N 0.031 119.931 119.800 0.167 0.000 2.049 799 Q HA 0.071 4.411 4.340 -0.001 0.000 0.198 799 Q C 2.541 178.656 176.000 0.191 0.000 0.971 799 Q CA 1.276 57.185 55.803 0.177 0.000 0.833 799 Q CB -0.342 28.499 28.738 0.172 0.000 0.896 799 Q HN 0.453 nan 8.270 nan 0.000 0.434 800 R N -0.446 120.155 120.500 0.169 0.000 2.115 800 R HA -0.205 4.135 4.340 -0.001 0.000 0.239 800 R C 2.401 178.773 176.300 0.121 0.000 1.133 800 R CA 1.963 58.147 56.100 0.140 0.000 0.935 800 R CB -0.848 29.526 30.300 0.123 0.000 0.853 800 R HN 0.369 nan 8.270 nan 0.000 0.433 801 S N -0.700 115.073 115.700 0.122 0.000 2.368 801 S HA -0.206 4.263 4.470 -0.001 0.000 0.225 801 S C 1.846 176.515 174.600 0.116 0.000 1.030 801 S CA 1.348 59.609 58.200 0.101 0.000 0.999 801 S CB -0.465 62.794 63.200 0.098 0.000 0.844 801 S HN 0.551 nan 8.310 nan 0.000 0.459 802 Y N 1.202 121.526 120.300 0.041 0.000 2.200 802 Y HA -0.020 4.530 4.550 -0.001 0.000 0.290 802 Y C 1.971 177.913 175.900 0.070 0.000 1.137 802 Y CA 1.311 59.434 58.100 0.039 0.000 1.163 802 Y CB -0.503 37.963 38.460 0.010 0.000 0.988 802 Y HN 0.238 nan 8.280 nan 0.000 0.518 803 L N -0.627 120.650 121.223 0.089 0.000 2.042 803 L HA -0.213 4.127 4.340 -0.001 0.000 0.210 803 L C 2.509 179.373 176.870 -0.010 0.000 1.076 803 L CA 1.447 56.312 54.840 0.043 0.000 0.749 803 L CB -1.406 40.717 42.059 0.107 0.000 0.893 803 L HN 0.175 nan 8.230 nan 0.000 0.432 804 V N -0.891 119.017 119.914 -0.009 0.000 2.295 804 V HA -0.338 3.782 4.120 -0.001 0.000 0.246 804 V C 2.541 178.589 176.094 -0.077 0.000 1.049 804 V CA 1.894 64.173 62.300 -0.034 0.000 1.024 804 V CB -0.570 31.237 31.823 -0.026 0.000 0.648 804 V HN 0.557 nan 8.190 nan 0.000 0.447 805 Q N -1.081 118.660 119.800 -0.098 0.000 2.050 805 Q HA -0.263 4.077 4.340 -0.001 0.000 0.202 805 Q C 2.268 178.173 176.000 -0.159 0.000 0.980 805 Q CA 2.230 57.963 55.803 -0.117 0.000 0.840 805 Q CB -0.280 28.380 28.738 -0.130 0.000 0.898 805 Q HN 0.747 nan 8.270 nan 0.000 0.424 806 Y N 0.377 120.426 120.300 -0.418 0.000 2.181 806 Y HA -0.206 4.344 4.550 -0.001 0.000 0.288 806 Y C 1.990 177.744 175.900 -0.243 0.000 1.146 806 Y CA 1.852 59.717 58.100 -0.392 0.000 1.164 806 Y CB -0.022 38.098 38.460 -0.567 0.000 0.982 806 Y HN 0.125 nan 8.280 nan 0.000 0.515 807 M N -0.815 118.639 119.600 -0.243 0.000 2.156 807 M HA -0.209 4.271 4.480 -0.001 0.000 0.264 807 M C 2.204 178.147 176.300 -0.596 0.000 1.067 807 M CA 1.642 56.624 55.300 -0.531 0.000 1.131 807 M CB -0.327 31.979 32.600 -0.490 0.000 1.368 807 M HN 0.190 nan 8.290 nan 0.000 0.416 808 Q N -0.129 119.494 119.800 -0.296 0.000 2.181 808 Q HA -0.148 4.192 4.340 -0.001 0.000 0.205 808 Q C 1.604 177.505 176.000 -0.166 0.000 0.980 808 Q CA 1.863 57.563 55.803 -0.172 0.000 0.862 808 Q CB -0.159 28.534 28.738 -0.075 0.000 0.905 808 Q HN 0.487 nan 8.270 nan 0.000 0.429 809 F N -1.502 118.247 119.950 -0.334 0.000 2.262 809 F HA 0.072 4.598 4.527 -0.001 0.000 0.292 809 F C 1.667 177.252 175.800 -0.359 0.000 1.081 809 F CA 1.027 58.849 58.000 -0.297 0.000 1.355 809 F CB 0.400 39.241 39.000 -0.265 0.000 1.069 809 F HN -0.099 nan 8.300 nan 0.000 0.506 810 S N -0.607 114.853 115.700 -0.399 0.000 2.559 810 S HA 0.268 4.738 4.470 -0.001 0.000 0.226 810 S C 0.867 175.237 174.600 -0.384 0.000 1.000 810 S CA 0.103 58.039 58.200 -0.440 0.000 0.948 810 S CB 0.264 63.018 63.200 -0.744 0.000 0.870 810 S HN 0.305 nan 8.310 nan 0.000 0.497 811 G N 2.072 110.595 108.800 -0.461 0.000 2.365 811 G HA2 0.303 4.262 3.960 -0.001 0.000 0.249 811 G HA3 0.303 4.262 3.960 -0.001 0.000 0.249 811 G C 0.836 175.721 174.900 -0.025 0.000 1.288 811 G CA -0.004 44.875 45.100 -0.369 0.000 0.887 811 G HN 0.344 nan 8.290 nan 0.000 0.524 812 S N 2.471 118.227 115.700 0.093 0.000 2.428 812 S HA 0.066 4.535 4.470 -0.001 0.000 0.230 812 S C 1.195 175.871 174.600 0.127 0.000 1.014 812 S CA 0.008 58.254 58.200 0.077 0.000 0.957 812 S CB -0.235 62.999 63.200 0.056 0.000 0.784 812 S HN 0.407 nan 8.310 nan 0.000 0.499 813 L N 1.426 122.786 121.223 0.229 0.000 2.475 813 L HA 0.312 4.651 4.340 -0.001 0.000 0.253 813 L C 0.920 177.895 176.870 0.175 0.000 1.198 813 L CA -0.755 54.159 54.840 0.123 0.000 0.814 813 L CB -0.000 42.005 42.059 -0.089 0.000 1.134 813 L HN 0.320 nan 8.230 nan 0.000 0.478 814 H N -0.203 118.860 119.070 -0.012 0.000 3.034 814 H HA -0.081 4.475 4.556 -0.001 0.000 0.324 814 H C 0.970 176.326 175.328 0.046 0.000 1.015 814 H CA 0.817 56.868 56.048 0.004 0.000 1.429 814 H CB 0.963 30.708 29.762 -0.028 0.000 1.429 814 H HN 0.564 nan 8.280 nan 0.000 0.585 815 T N 3.552 117.878 114.554 -0.381 0.000 2.737 815 T HA -0.162 4.188 4.350 -0.001 0.000 0.269 815 T C 1.759 176.320 174.700 -0.231 0.000 1.040 815 T CA 1.850 63.837 62.100 -0.188 0.000 1.142 815 T CB -0.038 68.706 68.868 -0.205 0.000 0.861 815 T HN 0.607 nan 8.240 nan 0.000 0.456 816 K N 0.388 120.433 120.400 -0.590 0.000 2.148 816 K HA 0.067 4.386 4.320 -0.001 0.000 0.204 816 K C 2.245 178.789 176.600 -0.093 0.000 1.050 816 K CA 0.786 56.937 56.287 -0.228 0.000 0.942 816 K CB -0.264 32.185 32.500 -0.084 0.000 0.724 816 K HN 0.368 nan 8.250 nan 0.000 0.446 817 L N -0.076 121.071 121.223 -0.127 0.000 2.043 817 L HA -0.238 4.102 4.340 -0.001 0.000 0.212 817 L C 2.227 178.981 176.870 -0.194 0.000 1.075 817 L CA 1.635 56.377 54.840 -0.162 0.000 0.752 817 L CB -0.660 41.237 42.059 -0.270 0.000 0.891 817 L HN 0.192 nan 8.230 nan 0.000 0.432 818 Y N -0.401 119.870 120.300 -0.048 0.000 2.263 818 Y HA -0.203 4.347 4.550 -0.001 0.000 0.292 818 Y C 2.788 178.645 175.900 -0.071 0.000 1.130 818 Y CA 0.797 58.870 58.100 -0.044 0.000 1.179 818 Y CB -0.306 38.120 38.460 -0.057 0.000 0.998 818 Y HN 0.174 nan 8.280 nan 0.000 0.532 819 Q N 0.311 120.129 119.800 0.029 0.000 2.234 819 Q HA -0.218 4.122 4.340 -0.001 0.000 0.206 819 Q C 1.264 177.199 176.000 -0.109 0.000 0.980 819 Q CA 1.496 57.229 55.803 -0.117 0.000 0.869 819 Q CB -0.141 28.502 28.738 -0.159 0.000 0.912 819 Q HN 0.632 nan 8.270 nan 0.000 0.436 820 E N -0.014 120.176 120.200 -0.018 0.000 2.479 820 E HA 0.051 4.401 4.350 -0.001 0.000 0.193 820 E C -0.552 176.076 176.600 0.045 0.000 1.049 820 E CA -0.178 56.236 56.400 0.023 0.000 0.870 820 E CB 0.768 30.493 29.700 0.042 0.000 0.944 820 E HN -0.001 nan 8.360 nan 0.000 0.492 821 V N 2.414 122.360 119.914 0.053 0.000 2.353 821 V HA 0.051 4.171 4.120 -0.001 0.000 0.264 821 V C 0.202 176.362 176.094 0.109 0.000 1.049 821 V CA -0.367 61.991 62.300 0.096 0.000 0.896 821 V CB 0.847 32.743 31.823 0.121 0.000 1.025 821 V HN 0.143 nan 8.190 nan 0.000 0.475 822 E N 5.056 125.345 120.200 0.149 0.000 2.415 822 E HA 0.219 4.568 4.350 -0.001 0.000 0.260 822 E C -0.811 175.941 176.600 0.254 0.000 1.016 822 E CA -0.071 56.432 56.400 0.171 0.000 0.924 822 E CB 0.416 30.229 29.700 0.189 0.000 0.961 822 E HN 0.623 nan 8.360 nan 0.000 0.459 823 I N 4.222 124.898 120.570 0.176 0.000 2.389 823 I HA 0.623 4.792 4.170 -0.001 0.000 0.288 823 I C -0.145 176.086 176.117 0.191 0.000 0.999 823 I CA -0.338 61.086 61.300 0.206 0.000 1.129 823 I CB 1.662 39.748 38.000 0.142 0.000 1.288 823 I HN 0.577 nan 8.210 nan 0.000 0.444 824 A N 3.915 126.907 122.820 0.286 0.000 2.540 824 A HA 0.738 5.058 4.320 -0.001 0.000 0.291 824 A C -0.488 177.275 177.584 0.299 0.000 1.083 824 A CA -0.535 51.633 52.037 0.219 0.000 0.650 824 A CB 1.256 20.292 19.000 0.060 0.000 1.292 824 A HN 0.649 nan 8.150 nan 0.000 0.435 825 S N -0.584 115.234 115.700 0.197 0.000 2.655 825 S HA 0.412 4.882 4.470 -0.001 0.000 0.265 825 S C 1.047 175.810 174.600 0.272 0.000 1.240 825 S CA 0.248 58.563 58.200 0.192 0.000 0.986 825 S CB 1.070 64.314 63.200 0.073 0.000 0.985 825 S HN 1.875 nan 8.310 nan 0.000 0.562 826 V N 0.920 120.988 119.914 0.257 0.000 2.626 826 V HA -0.117 4.003 4.120 -0.001 0.000 0.252 826 V C 1.716 177.947 176.094 0.228 0.000 1.067 826 V CA 2.137 64.615 62.300 0.296 0.000 1.081 826 V CB -1.124 30.852 31.823 0.255 0.000 0.686 826 V HN 0.878 nan 8.190 nan 0.000 0.468 827 D N 0.866 121.345 120.400 0.132 0.000 2.190 827 D HA -0.152 4.488 4.640 -0.001 0.000 0.200 827 D C 1.990 178.312 176.300 0.037 0.000 0.992 827 D CA 1.674 55.716 54.000 0.069 0.000 0.854 827 D CB -0.176 40.645 40.800 0.036 0.000 0.936 827 D HN 0.572 nan 8.370 nan 0.000 0.462 828 A N -0.941 121.878 122.820 -0.002 0.000 2.208 828 A HA 0.043 4.362 4.320 -0.001 0.000 0.209 828 A C 1.241 178.615 177.584 -0.349 0.000 1.161 828 A CA 0.169 52.091 52.037 -0.192 0.000 0.782 828 A CB -0.324 18.500 19.000 -0.295 0.000 0.816 828 A HN 0.112 nan 8.150 nan 0.000 0.477 829 F N -0.691 119.279 119.950 0.032 0.000 2.678 829 F HA 0.212 4.739 4.527 -0.001 0.000 0.305 829 F C 1.118 176.924 175.800 0.011 0.000 1.090 829 F CA -0.421 57.595 58.000 0.026 0.000 1.272 829 F CB 0.365 39.385 39.000 0.033 0.000 1.060 829 F HN 0.122 nan 8.300 nan 0.000 0.576 830 Q N 1.228 121.105 119.800 0.128 0.000 2.286 830 Q HA 0.125 4.465 4.340 -0.001 0.000 0.290 830 Q C 1.298 177.325 176.000 0.044 0.000 1.049 830 Q CA 1.262 57.105 55.803 0.068 0.000 0.923 830 Q CB 0.709 29.466 28.738 0.031 0.000 1.183 830 Q HN 0.683 nan 8.270 nan 0.000 0.383 831 G N 4.312 113.132 108.800 0.034 0.000 2.168 831 G HA2 -0.301 3.658 3.960 -0.001 0.000 0.263 831 G HA3 -0.301 3.658 3.960 -0.001 0.000 0.263 831 G C 0.116 175.038 174.900 0.038 0.000 0.977 831 G CA 0.763 45.876 45.100 0.022 0.000 0.659 831 G HN 0.602 nan 8.290 nan 0.000 0.533 832 R N 0.087 120.632 120.500 0.075 0.000 2.892 832 R HA 0.709 5.048 4.340 -0.001 0.000 0.265 832 R C -0.024 176.346 176.300 0.116 0.000 1.025 832 R CA -0.439 55.719 56.100 0.098 0.000 0.982 832 R CB 1.428 31.802 30.300 0.123 0.000 1.185 832 R HN 0.560 nan 8.270 nan 0.000 0.484 833 E N 0.759 121.021 120.200 0.104 0.000 2.429 833 E HA 0.522 4.872 4.350 -0.001 0.000 0.276 833 E C -1.162 175.482 176.600 0.074 0.000 0.953 833 E CA -1.167 55.274 56.400 0.067 0.000 0.787 833 E CB 2.141 31.851 29.700 0.016 0.000 1.307 833 E HN 0.123 nan 8.360 nan 0.000 0.458 834 K N 0.636 121.049 120.400 0.022 0.000 2.495 834 K HA 0.244 4.564 4.320 -0.001 0.000 0.268 834 K C -0.375 176.187 176.600 -0.063 0.000 1.008 834 K CA -0.740 55.558 56.287 0.018 0.000 0.882 834 K CB 1.583 34.107 32.500 0.041 0.000 1.443 834 K HN 0.488 nan 8.250 nan 0.000 0.447 835 D N 0.164 120.503 120.400 -0.101 0.000 2.123 835 D HA 0.051 4.691 4.640 -0.001 0.000 0.200 835 D C -0.040 175.858 176.300 -0.669 0.000 0.976 835 D CA 1.439 55.233 54.000 -0.344 0.000 0.831 835 D CB 0.134 40.636 40.800 -0.497 0.000 0.974 835 D HN 0.241 nan 8.370 nan 0.000 0.469 836 F N -0.120 119.838 119.950 0.014 0.000 2.565 836 F HA 0.438 4.965 4.527 -0.001 0.000 0.313 836 F C -0.152 175.627 175.800 -0.037 0.000 1.091 836 F CA -1.046 56.951 58.000 -0.005 0.000 0.915 836 F CB 2.246 41.231 39.000 -0.025 0.000 1.208 836 F HN -0.341 nan 8.300 nan 0.000 0.453 837 I N 4.216 124.858 120.570 0.121 0.000 2.499 837 I HA 0.431 4.600 4.170 -0.001 0.000 0.288 837 I C -0.593 175.523 176.117 -0.002 0.000 1.048 837 I CA -0.681 60.609 61.300 -0.016 0.000 1.062 837 I CB 2.012 39.938 38.000 -0.124 0.000 1.238 837 I HN 0.504 nan 8.210 nan 0.000 0.426 838 I N 6.163 126.722 120.570 -0.019 0.000 2.377 838 I HA 0.388 4.557 4.170 -0.001 0.000 0.293 838 I C -0.262 175.834 176.117 -0.035 0.000 0.987 838 I CA -0.579 60.706 61.300 -0.024 0.000 1.185 838 I CB 1.565 39.571 38.000 0.010 0.000 1.341 838 I HN 0.197 nan 8.210 nan 0.000 0.455 839 L N 4.871 126.059 121.223 -0.058 0.000 2.309 839 L HA 0.435 4.774 4.340 -0.001 0.000 0.282 839 L C 0.190 177.100 176.870 0.066 0.000 1.036 839 L CA -0.354 54.473 54.840 -0.022 0.000 0.806 839 L CB 1.626 43.569 42.059 -0.192 0.000 1.220 839 L HN 0.563 nan 8.230 nan 0.000 0.429 840 S N 1.367 117.189 115.700 0.204 0.000 2.594 840 S HA 0.202 4.672 4.470 -0.001 0.000 0.322 840 S C 0.705 175.468 174.600 0.272 0.000 1.085 840 S CA -0.758 57.545 58.200 0.172 0.000 1.116 840 S CB 0.741 64.027 63.200 0.144 0.000 0.979 840 S HN 0.754 nan 8.310 nan 0.000 0.465 841 C N 3.664 123.078 119.300 0.189 0.000 2.468 841 C HA 0.081 4.540 4.460 -0.001 0.000 0.277 841 C C 2.115 177.125 174.990 0.034 0.000 1.400 841 C CA 0.545 59.670 59.018 0.178 0.000 1.770 841 C CB -1.467 26.289 27.740 0.027 0.000 1.905 841 C HN 0.930 nan 8.230 nan 0.000 0.519 842 V N -1.278 118.635 119.914 -0.002 0.000 0.516 842 V HA -0.281 3.838 4.120 -0.001 0.000 0.092 842 V C 0.676 176.650 176.094 -0.201 0.000 2.243 842 V CA 2.094 64.344 62.300 -0.084 0.000 3.573 842 V CB -1.256 30.527 31.823 -0.066 0.000 0.862 842 V HN 0.505 nan 8.190 nan 0.000 0.902 843 R N 0.694 121.016 120.500 -0.296 0.000 2.491 843 R HA 0.644 4.984 4.340 -0.001 0.000 0.283 843 R C 0.783 176.958 176.300 -0.209 0.000 1.072 843 R CA 0.541 56.391 56.100 -0.417 0.000 1.048 843 R CB 0.364 30.143 30.300 -0.867 0.000 0.983 843 R HN 0.777 nan 8.270 nan 0.000 0.450 844 A N 2.831 125.555 122.820 -0.160 0.000 2.419 844 A HA 0.163 4.483 4.320 -0.001 0.000 0.233 844 A C 0.085 177.650 177.584 -0.031 0.000 1.217 844 A CA -0.129 51.865 52.037 -0.071 0.000 0.944 844 A CB 0.111 19.072 19.000 -0.066 0.000 1.025 844 A HN 0.717 nan 8.150 nan 0.000 0.524 845 N N 0.010 118.690 118.700 -0.033 0.000 2.384 845 N HA 0.395 5.135 4.740 -0.001 0.000 0.301 845 N C -0.543 175.038 175.510 0.118 0.000 1.133 845 N CA -0.600 52.457 53.050 0.012 0.000 0.853 845 N CB 1.102 39.577 38.487 -0.020 0.000 1.241 845 N HN 0.314 nan 8.380 nan 0.000 0.502 846 E N 1.490 121.721 120.200 0.050 0.000 2.481 846 E HA -0.063 4.287 4.350 -0.001 0.000 0.263 846 E C -0.733 175.883 176.600 0.027 0.000 0.992 846 E CA 0.485 56.876 56.400 -0.015 0.000 0.938 846 E CB 0.200 29.875 29.700 -0.041 0.000 0.933 846 E HN 0.588 nan 8.360 nan 0.000 0.453 847 H N 1.266 120.304 119.070 -0.052 0.000 3.003 847 H HA 0.050 4.606 4.556 -0.001 0.000 0.327 847 H C -0.140 175.178 175.328 -0.017 0.000 1.353 847 H CA -0.791 55.222 56.048 -0.058 0.000 1.142 847 H CB 0.874 30.562 29.762 -0.124 0.000 1.864 847 H HN 0.585 nan 8.280 nan 0.000 0.529 848 Q N 1.060 120.930 119.800 0.117 0.000 2.062 848 Q HA 0.237 4.577 4.340 -0.001 0.000 0.196 848 Q C 0.679 176.810 176.000 0.219 0.000 0.967 848 Q CA 1.468 57.328 55.803 0.095 0.000 0.832 848 Q CB -0.160 28.631 28.738 0.088 0.000 0.899 848 Q HN 1.032 nan 8.270 nan 0.000 0.442 849 G N 0.486 109.498 108.800 0.355 0.000 2.829 849 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.628 849 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.628 849 G C -0.306 174.656 174.900 0.104 0.000 1.412 849 G CA -0.124 45.159 45.100 0.305 0.000 0.864 849 G HN 0.672 nan 8.290 nan 0.000 0.544 850 I N -2.480 118.055 120.570 -0.058 0.000 3.264 850 I HA 0.858 5.027 4.170 -0.001 0.000 0.315 850 I C 1.302 177.293 176.117 -0.210 0.000 1.154 850 I CA -0.371 60.849 61.300 -0.133 0.000 0.962 850 I CB 1.419 39.297 38.000 -0.204 0.000 1.265 850 I HN 2.552 nan 8.210 nan 0.000 0.463 851 G N 2.461 111.172 108.800 -0.147 0.000 2.652 851 G HA2 -0.404 3.556 3.960 -0.001 0.000 0.318 851 G HA3 -0.404 3.556 3.960 -0.001 0.000 0.318 851 G C 0.319 175.224 174.900 0.008 0.000 1.295 851 G CA 1.427 46.467 45.100 -0.101 0.000 0.999 851 G HN 1.371 nan 8.290 nan 0.000 0.548 852 F N 0.620 120.624 119.950 0.090 0.000 2.494 852 F HA 0.306 4.832 4.527 -0.001 0.000 0.298 852 F C 2.283 178.278 175.800 0.326 0.000 1.106 852 F CA 1.543 59.637 58.000 0.157 0.000 1.452 852 F CB -0.606 38.485 39.000 0.151 0.000 1.085 852 F HN 0.236 nan 8.300 nan 0.000 0.569 853 L N 1.095 122.460 121.223 0.236 0.000 2.109 853 L HA -0.119 4.220 4.340 -0.001 0.000 0.207 853 L C 1.563 178.687 176.870 0.422 0.000 1.086 853 L CA 1.546 56.653 54.840 0.444 0.000 0.760 853 L CB -0.545 41.627 42.059 0.188 0.000 0.910 853 L HN 0.406 nan 8.230 nan 0.000 0.437 854 N N -2.283 116.563 118.700 0.243 0.000 2.365 854 N HA 0.023 4.763 4.740 -0.001 0.000 0.257 854 N C -0.752 174.847 175.510 0.148 0.000 1.287 854 N CA -0.151 53.019 53.050 0.199 0.000 0.882 854 N CB 0.273 38.845 38.487 0.142 0.000 1.250 854 N HN -0.002 nan 8.380 nan 0.000 0.507 855 D N 0.848 121.340 120.400 0.154 0.000 2.440 855 D HA 0.400 5.039 4.640 -0.001 0.000 0.252 855 D C -1.941 174.426 176.300 0.113 0.000 1.180 855 D CA -1.935 52.133 54.000 0.113 0.000 0.894 855 D CB 2.343 43.191 40.800 0.080 0.000 1.111 855 D HN -0.128 nan 8.370 nan 0.000 0.544 856 P HA -0.158 nan 4.420 nan 0.000 0.217 856 P C 1.158 178.499 177.300 0.068 0.000 1.151 856 P CA 1.178 64.372 63.100 0.156 0.000 0.849 856 P CB 0.393 32.229 31.700 0.227 0.000 0.787 857 R N -0.906 119.586 120.500 -0.013 0.000 2.092 857 R HA -0.011 4.329 4.340 -0.001 0.000 0.231 857 R C 2.463 178.676 176.300 -0.145 0.000 1.119 857 R CA 1.190 57.181 56.100 -0.182 0.000 0.970 857 R CB -0.343 29.896 30.300 -0.102 0.000 0.864 857 R HN 0.160 nan 8.270 nan 0.000 0.440 858 R N -0.156 120.334 120.500 -0.017 0.000 2.090 858 R HA -0.056 4.283 4.340 -0.001 0.000 0.228 858 R C 2.043 178.385 176.300 0.070 0.000 1.110 858 R CA 0.725 56.855 56.100 0.049 0.000 0.973 858 R CB -0.339 30.034 30.300 0.122 0.000 0.869 858 R HN 0.091 nan 8.270 nan 0.000 0.440 859 L N 1.831 123.093 121.223 0.065 0.000 2.012 859 L HA -0.209 4.131 4.340 -0.001 0.000 0.210 859 L C 1.867 178.669 176.870 -0.113 0.000 1.073 859 L CA 1.870 56.688 54.840 -0.037 0.000 0.748 859 L CB -0.844 41.139 42.059 -0.127 0.000 0.891 859 L HN 0.099 nan 8.230 nan 0.000 0.431 860 N N -0.640 117.938 118.700 -0.202 0.000 2.061 860 N HA -0.195 4.544 4.740 -0.001 0.000 0.193 860 N C 1.740 177.139 175.510 -0.185 0.000 1.030 860 N CA 2.074 54.919 53.050 -0.341 0.000 0.856 860 N CB -0.399 37.465 38.487 -1.038 0.000 1.023 860 N HN 0.268 nan 8.380 nan 0.000 0.424 861 V N 0.653 120.480 119.914 -0.145 0.000 2.343 861 V HA -0.162 3.958 4.120 -0.001 0.000 0.247 861 V C 2.427 178.487 176.094 -0.056 0.000 1.051 861 V CA 1.780 64.039 62.300 -0.069 0.000 1.036 861 V CB -1.221 30.590 31.823 -0.021 0.000 0.654 861 V HN 0.492 nan 8.190 nan 0.000 0.451 862 A N -0.306 122.470 122.820 -0.073 0.000 1.940 862 A HA -0.144 4.175 4.320 -0.001 0.000 0.219 862 A C 2.134 179.626 177.584 -0.153 0.000 1.176 862 A CA 1.692 53.642 52.037 -0.145 0.000 0.631 862 A CB -0.492 18.326 19.000 -0.304 0.000 0.814 862 A HN 0.530 nan 8.150 nan 0.000 0.446 863 L N -0.226 120.934 121.223 -0.106 0.000 2.492 863 L HA -0.013 4.326 4.340 -0.001 0.000 0.223 863 L C 1.557 178.419 176.870 -0.013 0.000 1.132 863 L CA 1.281 56.098 54.840 -0.039 0.000 0.850 863 L CB -0.129 41.956 42.059 0.044 0.000 0.966 863 L HN 0.581 nan 8.230 nan 0.000 0.454 864 T N -5.173 109.359 114.554 -0.035 0.000 3.266 864 T HA 0.209 4.559 4.350 -0.001 0.000 0.278 864 T C 1.363 176.035 174.700 -0.047 0.000 1.010 864 T CA -0.551 61.531 62.100 -0.030 0.000 0.909 864 T CB 0.185 69.040 68.868 -0.022 0.000 1.122 864 T HN 0.004 nan 8.240 nan 0.000 0.536 865 R N 1.198 121.658 120.500 -0.067 0.000 2.265 865 R HA 0.493 4.832 4.340 -0.001 0.000 0.194 865 R C 0.938 177.194 176.300 -0.075 0.000 0.931 865 R CA 0.188 56.249 56.100 -0.064 0.000 1.032 865 R CB -0.193 30.034 30.300 -0.122 0.000 0.980 865 R HN 0.539 nan 8.270 nan 0.000 0.497 866 A N 1.099 123.865 122.820 -0.090 0.000 2.306 866 A HA 0.435 4.755 4.320 -0.001 0.000 0.314 866 A C 0.801 178.295 177.584 -0.150 0.000 1.164 866 A CA -0.517 51.454 52.037 -0.110 0.000 0.822 866 A CB 1.062 20.010 19.000 -0.086 0.000 1.130 866 A HN 0.081 nan 8.150 nan 0.000 0.496 867 R N 0.752 121.121 120.500 -0.220 0.000 2.112 867 R HA 0.029 4.369 4.340 -0.001 0.000 0.216 867 R C 0.413 176.396 176.300 -0.529 0.000 1.080 867 R CA 1.469 57.342 56.100 -0.378 0.000 0.996 867 R CB -0.025 30.000 30.300 -0.458 0.000 0.902 867 R HN 0.872 nan 8.270 nan 0.000 0.449 868 Y N -0.762 119.298 120.300 -0.399 0.000 2.589 868 Y HA 0.355 4.905 4.550 -0.001 0.000 0.271 868 Y C 0.989 176.728 175.900 -0.269 0.000 1.107 868 Y CA -0.014 57.842 58.100 -0.406 0.000 1.273 868 Y CB 1.335 39.337 38.460 -0.763 0.000 1.266 868 Y HN 0.015 nan 8.280 nan 0.000 0.504 869 G N 0.061 108.849 108.800 -0.020 0.000 2.753 869 G HA2 0.547 4.507 3.960 -0.001 0.000 0.297 869 G HA3 0.547 4.507 3.960 -0.001 0.000 0.297 869 G C -2.149 172.860 174.900 0.181 0.000 1.430 869 G CA -0.443 44.776 45.100 0.198 0.000 1.040 869 G HN -0.204 nan 8.290 nan 0.000 0.530 870 V N 2.589 122.547 119.914 0.073 0.000 2.531 870 V HA 0.557 4.677 4.120 -0.001 0.000 0.301 870 V C -0.442 175.686 176.094 0.057 0.000 1.034 870 V CA -0.564 61.777 62.300 0.069 0.000 0.865 870 V CB 1.546 33.396 31.823 0.045 0.000 0.995 870 V HN 0.656 nan 8.190 nan 0.000 0.424 871 I N 5.937 126.493 120.570 -0.024 0.000 2.418 871 I HA 0.510 4.680 4.170 -0.001 0.000 0.287 871 I C -0.649 175.373 176.117 -0.158 0.000 1.008 871 I CA -0.344 60.827 61.300 -0.215 0.000 1.104 871 I CB 1.897 39.661 38.000 -0.393 0.000 1.264 871 I HN 0.429 nan 8.210 nan 0.000 0.438 872 I N 6.800 127.265 120.570 -0.175 0.000 2.321 872 I HA 0.392 4.561 4.170 -0.001 0.000 0.291 872 I C -0.462 175.339 176.117 -0.527 0.000 0.998 872 I CA -0.852 60.271 61.300 -0.294 0.000 1.227 872 I CB 1.527 39.364 38.000 -0.272 0.000 1.368 872 I HN 0.167 nan 8.210 nan 0.000 0.466 873 V N 5.547 125.251 119.914 -0.349 0.000 2.417 873 V HA 0.942 5.062 4.120 -0.001 0.000 0.291 873 V C 0.461 176.370 176.094 -0.309 0.000 1.024 873 V CA -0.176 61.974 62.300 -0.249 0.000 0.861 873 V CB 1.121 32.944 31.823 -0.000 0.000 0.985 873 V HN 1.055 nan 8.190 nan 0.000 0.436 874 G N 3.421 112.032 108.800 -0.316 0.000 2.315 874 G HA2 0.190 4.150 3.960 -0.001 0.000 0.294 874 G HA3 0.190 4.150 3.960 -0.001 0.000 0.294 874 G C -1.724 173.235 174.900 0.099 0.000 1.300 874 G CA -0.712 44.316 45.100 -0.120 0.000 0.843 874 G HN 0.539 nan 8.290 nan 0.000 0.527 875 N N 0.788 119.548 118.700 0.099 0.000 2.546 875 N HA 0.459 5.199 4.740 -0.001 0.000 0.238 875 N C -1.607 173.954 175.510 0.086 0.000 0.984 875 N CA -2.062 51.047 53.050 0.098 0.000 0.935 875 N CB 2.283 40.781 38.487 0.018 0.000 1.122 875 N HN -0.002 nan 8.380 nan 0.000 0.510 876 P HA -0.144 nan 4.420 nan 0.000 0.216 876 P C 1.110 178.422 177.300 0.020 0.000 1.153 876 P CA 1.312 64.368 63.100 -0.073 0.000 0.858 876 P CB 0.477 32.201 31.700 0.040 0.000 0.789 877 K N -0.387 120.082 120.400 0.114 0.000 2.063 877 K HA -0.058 4.261 4.320 -0.001 0.000 0.208 877 K C 2.092 178.707 176.600 0.025 0.000 1.048 877 K CA 1.701 58.047 56.287 0.098 0.000 0.928 877 K CB -1.286 31.255 32.500 0.068 0.000 0.713 877 K HN 0.089 nan 8.250 nan 0.000 0.442 878 A N 0.981 123.805 122.820 0.006 0.000 1.969 878 A HA -0.076 4.244 4.320 -0.001 0.000 0.218 878 A C 2.209 179.755 177.584 -0.063 0.000 1.169 878 A CA 1.108 53.146 52.037 0.002 0.000 0.635 878 A CB -0.456 18.573 19.000 0.048 0.000 0.810 878 A HN 0.205 nan 8.150 nan 0.000 0.445 879 L N -0.471 120.674 121.223 -0.130 0.000 2.418 879 L HA -0.012 4.328 4.340 -0.001 0.000 0.218 879 L C 2.327 179.122 176.870 -0.126 0.000 1.125 879 L CA 0.690 55.363 54.840 -0.279 0.000 0.835 879 L CB -0.091 41.598 42.059 -0.618 0.000 0.953 879 L HN 0.240 nan 8.230 nan 0.000 0.454 880 S N 0.016 115.667 115.700 -0.082 0.000 2.447 880 S HA -0.160 4.309 4.470 -0.001 0.000 0.233 880 S C 1.828 176.434 174.600 0.010 0.000 1.006 880 S CA 0.987 59.165 58.200 -0.035 0.000 0.957 880 S CB -0.128 63.083 63.200 0.018 0.000 0.773 880 S HN 0.392 nan 8.310 nan 0.000 0.507 881 K N 1.234 121.630 120.400 -0.008 0.000 2.404 881 K HA 0.113 4.432 4.320 -0.001 0.000 0.194 881 K C -0.037 176.575 176.600 0.020 0.000 1.023 881 K CA 0.012 56.297 56.287 -0.004 0.000 1.094 881 K CB 0.204 32.686 32.500 -0.031 0.000 0.841 881 K HN 0.385 nan 8.250 nan 0.000 0.523 882 Q N 1.362 121.208 119.800 0.077 0.000 2.257 882 Q HA 0.314 4.654 4.340 -0.001 0.000 0.262 882 Q C -2.534 173.599 176.000 0.222 0.000 0.997 882 Q CA -2.690 53.201 55.803 0.147 0.000 0.873 882 Q CB 1.292 30.154 28.738 0.206 0.000 1.312 882 Q HN -0.015 nan 8.270 nan 0.000 0.450 883 P HA -0.204 nan 4.420 nan 0.000 0.252 883 P C 0.116 177.488 177.300 0.120 0.000 1.126 883 P CA 1.040 64.224 63.100 0.140 0.000 0.777 883 P CB 0.123 31.903 31.700 0.133 0.000 0.711 884 L N 2.294 123.583 121.223 0.111 0.000 4.808 884 L HA -0.229 4.111 4.340 -0.001 0.000 0.396 884 L C 1.142 178.038 176.870 0.043 0.000 0.811 884 L CA 1.627 56.518 54.840 0.085 0.000 2.140 884 L CB -1.987 40.071 42.059 -0.001 0.000 1.363 884 L HN 0.389 nan 8.230 nan 0.000 0.611 885 W N 0.095 121.442 121.300 0.078 0.000 2.436 885 W HA 0.023 4.683 4.660 -0.001 0.000 0.284 885 W C 2.480 178.906 176.519 -0.156 0.000 1.225 885 W CA 1.306 58.631 57.345 -0.032 0.000 1.271 885 W CB -0.327 29.115 29.460 -0.031 0.000 1.114 885 W HN 0.356 nan 8.180 nan 0.000 0.559 886 N N -0.256 118.477 118.700 0.054 0.000 2.142 886 N HA -0.183 4.557 4.740 -0.001 0.000 0.186 886 N C 1.263 176.696 175.510 -0.129 0.000 1.023 886 N CA 1.515 54.489 53.050 -0.126 0.000 0.852 886 N CB -0.229 38.162 38.487 -0.159 0.000 0.998 886 N HN 0.322 nan 8.380 nan 0.000 0.424 887 H N 0.011 119.126 119.070 0.076 0.000 2.357 887 H HA -0.070 4.485 4.556 -0.001 0.000 0.301 887 H C 1.893 177.317 175.328 0.162 0.000 1.082 887 H CA 0.981 57.127 56.048 0.162 0.000 1.342 887 H CB -0.056 29.834 29.762 0.214 0.000 1.389 887 H HN 0.112 nan 8.280 nan 0.000 0.511 888 L N 0.685 121.950 121.223 0.070 0.000 2.012 888 L HA -0.148 4.191 4.340 -0.001 0.000 0.210 888 L C 1.827 178.551 176.870 -0.243 0.000 1.073 888 L CA 1.515 56.076 54.840 -0.466 0.000 0.748 888 L CB -0.722 40.953 42.059 -0.640 0.000 0.891 888 L HN 0.277 nan 8.230 nan 0.000 0.431 889 L N -0.622 120.441 121.223 -0.266 0.000 2.093 889 L HA -0.176 4.164 4.340 -0.001 0.000 0.208 889 L C 2.419 179.211 176.870 -0.131 0.000 1.085 889 L CA 1.022 55.603 54.840 -0.432 0.000 0.755 889 L CB -0.764 40.669 42.059 -1.043 0.000 0.904 889 L HN 0.363 nan 8.230 nan 0.000 0.435 890 N N -0.518 118.183 118.700 0.002 0.000 2.084 890 N HA -0.251 4.489 4.740 -0.001 0.000 0.190 890 N C 1.865 177.510 175.510 0.224 0.000 1.030 890 N CA 1.505 54.661 53.050 0.177 0.000 0.849 890 N CB -0.333 38.269 38.487 0.192 0.000 1.012 890 N HN 0.259 nan 8.380 nan 0.000 0.423 891 Y N 1.277 121.669 120.300 0.152 0.000 2.053 891 Y HA -0.290 4.259 4.550 -0.001 0.000 0.277 891 Y C 2.108 178.128 175.900 0.200 0.000 1.159 891 Y CA 1.651 59.867 58.100 0.192 0.000 1.125 891 Y CB -0.878 37.728 38.460 0.243 0.000 0.969 891 Y HN 0.049 nan 8.280 nan 0.000 0.492 892 Y N 0.659 120.897 120.300 -0.102 0.000 2.207 892 Y HA -0.237 4.313 4.550 -0.001 0.000 0.287 892 Y C 2.670 178.536 175.900 -0.057 0.000 1.156 892 Y CA 1.903 59.937 58.100 -0.111 0.000 1.182 892 Y CB -0.714 37.757 38.460 0.018 0.000 0.979 892 Y HN 0.187 nan 8.280 nan 0.000 0.521 893 K N 0.526 121.016 120.400 0.151 0.000 2.025 893 K HA -0.192 4.128 4.320 -0.001 0.000 0.207 893 K C 1.816 178.444 176.600 0.047 0.000 1.049 893 K CA 1.697 58.060 56.287 0.127 0.000 0.933 893 K CB -0.116 32.501 32.500 0.194 0.000 0.714 893 K HN 0.338 nan 8.250 nan 0.000 0.438 894 E N 0.186 120.397 120.200 0.018 0.000 2.118 894 E HA -0.190 4.159 4.350 -0.001 0.000 0.195 894 E C 1.858 178.404 176.600 -0.090 0.000 0.992 894 E CA 0.917 57.307 56.400 -0.017 0.000 0.804 894 E CB 0.104 29.810 29.700 0.010 0.000 0.741 894 E HN 0.292 nan 8.360 nan 0.000 0.458 895 Q N 0.207 119.880 119.800 -0.212 0.000 2.482 895 Q HA 0.007 4.347 4.340 -0.001 0.000 0.209 895 Q C 0.051 175.984 176.000 -0.111 0.000 0.961 895 Q CA 0.391 56.048 55.803 -0.244 0.000 0.945 895 Q CB 0.259 28.700 28.738 -0.496 0.000 1.012 895 Q HN 0.235 nan 8.270 nan 0.000 0.515 896 K N -1.141 119.234 120.400 -0.043 0.000 3.291 896 K HA -0.131 4.188 4.320 -0.001 0.000 0.290 896 K C 0.159 176.788 176.600 0.049 0.000 1.235 896 K CA 0.491 56.785 56.287 0.012 0.000 0.848 896 K CB -1.705 30.799 32.500 0.007 0.000 1.295 896 K HN 0.040 nan 8.250 nan 0.000 0.497 897 V N 0.919 120.878 119.914 0.074 0.000 3.166 897 V HA 0.186 4.305 4.120 -0.001 0.000 0.332 897 V C -0.710 175.594 176.094 0.350 0.000 1.434 897 V CA -0.306 62.091 62.300 0.162 0.000 1.121 897 V CB 0.686 32.528 31.823 0.033 0.000 1.062 897 V HN 0.273 nan 8.190 nan 0.000 0.489 898 L N 2.644 124.043 121.223 0.294 0.000 2.262 898 L HA 0.710 5.050 4.340 -0.001 0.000 0.288 898 L C -0.415 176.625 176.870 0.284 0.000 1.035 898 L CA 0.035 55.084 54.840 0.349 0.000 0.820 898 L CB 1.271 43.482 42.059 0.254 0.000 1.204 898 L HN 0.122 nan 8.230 nan 0.000 0.424 899 V N 1.389 121.517 119.914 0.358 0.000 3.130 899 V HA 0.791 4.911 4.120 -0.001 0.000 0.310 899 V C -0.655 175.601 176.094 0.270 0.000 1.158 899 V CA -0.640 61.817 62.300 0.263 0.000 1.029 899 V CB 2.103 34.033 31.823 0.179 0.000 1.057 899 V HN 0.793 nan 8.190 nan 0.000 0.436 900 E N -0.200 120.119 120.200 0.198 0.000 2.454 900 E HA 0.694 5.043 4.350 -0.001 0.000 0.279 900 E C -0.235 176.473 176.600 0.179 0.000 1.029 900 E CA -0.293 56.186 56.400 0.132 0.000 0.831 900 E CB 2.264 31.996 29.700 0.053 0.000 1.405 900 E HN 1.770 nan 8.360 nan 0.000 0.463 901 G N 0.730 109.624 108.800 0.156 0.000 2.582 901 G HA2 -0.133 3.826 3.960 -0.001 0.000 0.222 901 G HA3 -0.133 3.826 3.960 -0.001 0.000 0.222 901 G C -2.887 172.131 174.900 0.195 0.000 1.311 901 G CA -1.031 44.146 45.100 0.129 0.000 0.915 901 G HN 0.363 nan 8.290 nan 0.000 0.528 902 P HA 0.423 nan 4.420 nan 0.000 0.275 902 P C 1.479 178.781 177.300 0.002 0.000 1.228 902 P CA -0.625 62.518 63.100 0.071 0.000 0.786 902 P CB 0.456 32.170 31.700 0.023 0.000 0.927 903 L N 1.401 122.582 121.223 -0.070 0.000 2.129 903 L HA -0.212 4.128 4.340 -0.001 0.000 0.212 903 L C 2.004 178.748 176.870 -0.210 0.000 1.087 903 L CA 1.636 56.355 54.840 -0.201 0.000 0.757 903 L CB -0.786 41.141 42.059 -0.221 0.000 0.896 903 L HN 0.556 nan 8.230 nan 0.000 0.434 904 N N -0.543 118.070 118.700 -0.145 0.000 2.457 904 N HA -0.166 4.574 4.740 -0.001 0.000 0.180 904 N C 0.581 176.015 175.510 -0.126 0.000 1.050 904 N CA 0.820 53.781 53.050 -0.148 0.000 0.906 904 N CB -0.279 38.145 38.487 -0.104 0.000 0.968 904 N HN 0.260 nan 8.380 nan 0.000 0.445 905 N N -0.018 118.623 118.700 -0.097 0.000 2.666 905 N HA 0.235 4.975 4.740 -0.001 0.000 0.253 905 N C -1.636 173.844 175.510 -0.050 0.000 1.621 905 N CA -0.330 52.678 53.050 -0.070 0.000 0.785 905 N CB -0.066 38.396 38.487 -0.043 0.000 1.332 905 N HN 0.040 nan 8.380 nan 0.000 0.514 906 L N 1.940 123.113 121.223 -0.082 0.000 2.416 906 L HA 0.384 4.723 4.340 -0.001 0.000 0.272 906 L C 0.973 177.828 176.870 -0.025 0.000 1.161 906 L CA -0.241 54.567 54.840 -0.052 0.000 0.845 906 L CB 0.549 42.519 42.059 -0.150 0.000 1.119 906 L HN 0.352 nan 8.230 nan 0.000 0.464 907 R N 2.421 122.932 120.500 0.018 0.000 2.803 907 R HA 0.468 4.808 4.340 -0.001 0.000 0.276 907 R C -0.895 175.432 176.300 0.045 0.000 0.978 907 R CA -0.947 55.165 56.100 0.021 0.000 0.939 907 R CB 1.396 31.708 30.300 0.020 0.000 1.179 907 R HN 0.474 nan 8.270 nan 0.000 0.472 908 E N 1.384 121.608 120.200 0.041 0.000 2.415 908 E HA -0.023 4.326 4.350 -0.001 0.000 0.263 908 E C -0.360 176.275 176.600 0.059 0.000 0.995 908 E CA 0.147 56.583 56.400 0.060 0.000 0.915 908 E CB 0.989 30.716 29.700 0.045 0.000 0.951 908 E HN 0.488 nan 8.360 nan 0.000 0.449 909 S N 2.815 118.565 115.700 0.083 0.000 2.572 909 S HA 0.063 4.533 4.470 -0.001 0.000 0.279 909 S C 0.918 175.533 174.600 0.025 0.000 1.341 909 S CA -0.515 57.723 58.200 0.064 0.000 1.043 909 S CB 0.377 63.638 63.200 0.101 0.000 0.887 909 S HN 0.476 nan 8.310 nan 0.000 0.516 910 L N 3.631 124.850 121.223 -0.007 0.000 2.628 910 L HA 0.205 4.545 4.340 -0.001 0.000 0.229 910 L C 0.534 177.347 176.870 -0.095 0.000 1.137 910 L CA 0.085 54.903 54.840 -0.038 0.000 0.909 910 L CB -0.309 41.731 42.059 -0.031 0.000 1.137 910 L HN 0.614 nan 8.230 nan 0.000 0.470 911 M N 0.635 120.158 119.600 -0.129 0.000 2.240 911 M HA 0.110 4.590 4.480 -0.001 0.000 0.333 911 M C 0.212 176.196 176.300 -0.526 0.000 1.110 911 M CA 0.749 55.867 55.300 -0.302 0.000 1.173 911 M CB 0.792 33.221 32.600 -0.285 0.000 1.458 911 M HN 0.142 nan 8.290 nan 0.000 0.458 912 Q N 0.964 120.302 119.800 -0.771 0.000 2.495 912 Q HA 0.817 5.156 4.340 -0.001 0.000 0.287 912 Q C -1.736 173.620 176.000 -1.073 0.000 1.078 912 Q CA -0.887 54.444 55.803 -0.786 0.000 0.793 912 Q CB 2.066 30.619 28.738 -0.309 0.000 1.459 912 Q HN 0.603 nan 8.270 nan 0.000 0.422 913 F N 0.000 119.936 119.950 -0.023 0.000 2.286 913 F HA 0.000 4.526 4.527 -0.001 0.000 0.279 913 F CA 0.000 57.982 58.000 -0.029 0.000 1.383 913 F CB 0.000 38.976 39.000 -0.040 0.000 1.145 913 F HN 0.000 nan 8.300 nan 0.000 0.574