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 3lpl_1_A DATA FIRST_RESID 56 DATA SEQUENCE ISNYINTIPV EEQPEYPGNL ELERRIRSAI RWNAIMTVLR ASKKDLELGG DATA SEQUENCE HMASFQSSAT IYDVCFNHFF RARNEQDGGD LVYFQGHISP GVYARAFLEG DATA SEQUENCE RLTQEQLDNF RQEVHGNGLS SYPHPKLMPE FWQFPTVSMG LGPIGAIYQA DATA SEQUENCE KFLKYLEHRG LKDTSKQTVY AFLGDGEMDE PESKGAITIA TREKLDNLVF DATA SEQUENCE VINCNLQRLD GPVTGNGKII NELEGIFEGA GWNVIKVMWG SRWDELLRKD DATA SEQUENCE TSGKLIQLMN ETVDGDYQTF KSKDGAYVRE HFFGKYPETA ALVADWTDEQ DATA SEQUENCE IWALNRGGHD PKKIYAAFKK AQETKGKATV ILAHTIKGYG MGDAAXXXXX DATA SEQUENCE XXXXXXXXMD GVRHIRDRFN VPVSDADIEK LPYITFPEGS EEHTYLHAQR DATA SEQUENCE QKLHGYLPSR QPNFTEKLEL PSLQDFGALL EEQSKEISTT IAFVRALNVM DATA SEQUENCE LKNKSIKDRL VPIIADEART FGMEGLFRQI GIYSPXXXXX XXXXXXXXXX DATA SEQUENCE XXEDEKGQIL QEGINALGAG CSWLAAATSY STNNLPMIPF YIYYSMFGFQ DATA SEQUENCE RIGDLCWAAG DQQARGFLIG GTSGRTTLNG EGLQHEDGHS HIQSLTIPNC DATA SEQUENCE ISYDPAYAYE VAVIMHDGLE RMYGEKQENV YYYITTLNEN YHMPAMPEGA DATA SEQUENCE EEGIRKGIYK LETIEGSKGK VQLLGSGSIL RHVREAAEIL AKDYGVGSDV DATA SEQUENCE YSVTSFTELA RDGQDCERWN MLHPLETPRV PYIAQVMNDA PAVASTDYMK DATA SEQUENCE LFAEQVRTYV PADDYRVLGT DGFGRSDSRE NLRHHFEVDA SYVVVAALGE DATA SEQUENCE LAKRGEIDKK VVADAIAKFN IDADKVNPRL A 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 56 I HA 0.000 nan 4.170 nan 0.000 0.288 56 I C 0.000 176.136 176.117 0.031 0.000 1.063 56 I CA 0.000 61.315 61.300 0.025 0.000 1.566 56 I CB 0.000 38.018 38.000 0.030 0.000 1.214 57 S N 4.481 120.199 115.700 0.030 0.000 2.694 57 S HA 0.502 4.971 4.470 -0.002 0.000 0.278 57 S C 0.207 174.847 174.600 0.067 0.000 1.152 57 S CA -0.844 57.377 58.200 0.036 0.000 1.010 57 S CB 0.910 64.120 63.200 0.017 0.000 1.104 57 S HN 0.526 nan 8.310 nan 0.000 0.547 58 N N 0.200 118.944 118.700 0.073 0.000 2.381 58 N HA 0.015 4.754 4.740 -0.002 0.000 0.241 58 N C -0.849 174.760 175.510 0.164 0.000 1.279 58 N CA 0.229 53.351 53.050 0.120 0.000 0.896 58 N CB -0.164 38.386 38.487 0.104 0.000 1.118 58 N HN 0.695 nan 8.380 nan 0.000 0.438 59 Y N 2.145 122.486 120.300 0.069 0.000 2.851 59 Y HA 0.236 4.785 4.550 -0.002 0.000 0.369 59 Y C 0.291 176.292 175.900 0.169 0.000 1.226 59 Y CA -0.232 57.911 58.100 0.070 0.000 1.949 59 Y CB -0.746 37.793 38.460 0.131 0.000 2.059 59 Y HN 0.320 nan 8.280 nan 0.000 0.420 60 I N -2.484 118.120 120.570 0.057 0.000 3.279 60 I HA 0.526 4.695 4.170 -0.002 0.000 0.315 60 I C -0.705 175.378 176.117 -0.057 0.000 1.187 60 I CA -1.647 59.721 61.300 0.113 0.000 0.953 60 I CB 1.379 39.475 38.000 0.161 0.000 1.279 60 I HN -0.170 nan 8.210 nan 0.000 0.465 61 N N 1.616 120.309 118.700 -0.011 0.000 2.407 61 N HA 0.096 4.835 4.740 -0.002 0.000 0.250 61 N C 0.762 176.244 175.510 -0.048 0.000 1.236 61 N CA 0.091 53.099 53.050 -0.069 0.000 0.879 61 N CB 0.857 39.341 38.487 -0.005 0.000 1.088 61 N HN 0.688 nan 8.380 nan 0.000 0.450 62 T N 1.131 115.637 114.554 -0.080 0.000 2.857 62 T HA 0.065 4.414 4.350 -0.002 0.000 0.266 62 T C 1.032 175.716 174.700 -0.027 0.000 1.048 62 T CA 0.770 62.836 62.100 -0.058 0.000 1.139 62 T CB 0.022 68.840 68.868 -0.083 0.000 0.874 62 T HN 0.417 nan 8.240 nan 0.000 0.455 63 I N 4.174 124.730 120.570 -0.023 0.000 2.287 63 I HA 0.230 4.399 4.170 -0.002 0.000 0.290 63 I C -2.141 173.996 176.117 0.033 0.000 1.069 63 I CA -2.405 58.898 61.300 0.005 0.000 1.237 63 I CB 0.933 38.935 38.000 0.005 0.000 1.418 63 I HN 0.020 nan 8.210 nan 0.000 0.481 64 P HA -0.028 nan 4.420 nan 0.000 0.272 64 P C 0.978 178.321 177.300 0.071 0.000 1.223 64 P CA -0.077 63.060 63.100 0.061 0.000 0.784 64 P CB 1.908 33.640 31.700 0.054 0.000 0.923 65 V N 2.317 122.284 119.914 0.087 0.000 2.380 65 V HA -0.281 3.838 4.120 -0.002 0.000 0.251 65 V C 1.981 178.123 176.094 0.079 0.000 1.063 65 V CA 2.306 64.661 62.300 0.092 0.000 1.055 65 V CB -1.088 30.797 31.823 0.103 0.000 0.657 65 V HN 0.519 nan 8.190 nan 0.000 0.455 66 E N 0.057 120.298 120.200 0.069 0.000 2.333 66 E HA -0.155 4.194 4.350 -0.002 0.000 0.198 66 E C 1.869 178.503 176.600 0.056 0.000 1.007 66 E CA 1.224 57.659 56.400 0.059 0.000 0.845 66 E CB -0.118 29.613 29.700 0.051 0.000 0.766 66 E HN 0.756 nan 8.360 nan 0.000 0.507 67 E N -0.069 120.166 120.200 0.058 0.000 2.538 67 E HA 0.039 4.388 4.350 -0.002 0.000 0.207 67 E C 0.033 176.675 176.600 0.071 0.000 1.002 67 E CA -0.190 56.243 56.400 0.055 0.000 0.952 67 E CB 0.432 30.157 29.700 0.042 0.000 1.031 67 E HN 0.163 nan 8.360 nan 0.000 0.476 68 Q N 3.089 122.941 119.800 0.086 0.000 2.307 68 Q HA 0.143 4.482 4.340 -0.002 0.000 0.259 68 Q C -2.111 173.971 176.000 0.138 0.000 0.998 68 Q CA -1.992 53.882 55.803 0.118 0.000 0.923 68 Q CB 0.653 29.465 28.738 0.123 0.000 1.196 68 Q HN -0.065 nan 8.270 nan 0.000 0.416 69 P HA 0.033 nan 4.420 nan 0.000 0.272 69 P C -0.575 176.820 177.300 0.159 0.000 1.240 69 P CA -0.146 63.061 63.100 0.179 0.000 0.791 69 P CB 0.670 32.524 31.700 0.257 0.000 0.978 70 E N 0.297 120.546 120.200 0.082 0.000 2.384 70 E HA 0.018 4.367 4.350 -0.002 0.000 0.266 70 E C -0.516 176.033 176.600 -0.084 0.000 1.012 70 E CA -0.123 56.295 56.400 0.030 0.000 0.901 70 E CB 0.002 29.703 29.700 0.002 0.000 0.967 70 E HN 0.353 nan 8.360 nan 0.000 0.435 71 Y N 5.765 125.934 120.300 -0.219 0.000 2.465 71 Y HA 0.057 4.606 4.550 -0.002 0.000 0.331 71 Y C -1.156 174.486 175.900 -0.429 0.000 1.102 71 Y CA -1.504 56.320 58.100 -0.461 0.000 1.358 71 Y CB 0.840 39.149 38.460 -0.253 0.000 1.213 71 Y HN 0.387 nan 8.280 nan 0.000 0.525 72 P HA 0.105 nan 4.420 nan 0.000 0.236 72 P C 0.330 177.372 177.300 -0.431 0.000 1.177 72 P CA 0.564 63.255 63.100 -0.682 0.000 0.773 72 P CB 0.465 31.749 31.700 -0.693 0.000 0.878 73 G N 0.551 109.018 108.800 -0.556 0.000 2.552 73 G HA2 0.199 4.158 3.960 -0.002 0.000 0.318 73 G HA3 0.199 4.158 3.960 -0.002 0.000 0.318 73 G C -0.662 174.424 174.900 0.310 0.000 1.240 73 G CA -0.446 44.749 45.100 0.159 0.000 1.002 73 G HN 0.011 nan 8.290 nan 0.000 0.493 74 N N 0.733 119.607 118.700 0.289 0.000 2.482 74 N HA 0.107 4.846 4.740 -0.002 0.000 0.242 74 N C 1.611 177.151 175.510 0.050 0.000 1.100 74 N CA -0.279 52.830 53.050 0.098 0.000 0.946 74 N CB 0.657 39.115 38.487 -0.049 0.000 1.227 74 N HN 0.395 nan 8.380 nan 0.000 0.508 75 L N 2.032 123.312 121.223 0.096 0.000 1.990 75 L HA -0.199 4.140 4.340 -0.002 0.000 0.213 75 L C 2.232 179.090 176.870 -0.020 0.000 1.072 75 L CA 1.490 56.343 54.840 0.022 0.000 0.755 75 L CB -0.268 41.765 42.059 -0.044 0.000 0.889 75 L HN 0.598 nan 8.230 nan 0.000 0.432 76 E N 0.167 120.348 120.200 -0.031 0.000 2.077 76 E HA -0.269 4.080 4.350 -0.002 0.000 0.193 76 E C 2.203 178.755 176.600 -0.079 0.000 0.989 76 E CA 1.187 57.565 56.400 -0.037 0.000 0.800 76 E CB -0.011 29.671 29.700 -0.030 0.000 0.746 76 E HN 0.265 nan 8.360 nan 0.000 0.452 77 L N 1.542 122.669 121.223 -0.160 0.000 2.056 77 L HA -0.121 4.218 4.340 -0.002 0.000 0.207 77 L C 1.845 178.539 176.870 -0.293 0.000 1.078 77 L CA 1.845 56.522 54.840 -0.273 0.000 0.749 77 L CB -0.421 41.373 42.059 -0.441 0.000 0.901 77 L HN 0.117 nan 8.230 nan 0.000 0.433 78 E N -0.838 119.195 120.200 -0.278 0.000 2.153 78 E HA -0.235 4.114 4.350 -0.002 0.000 0.194 78 E C 2.213 178.811 176.600 -0.004 0.000 0.988 78 E CA 0.709 57.037 56.400 -0.119 0.000 0.811 78 E CB -0.192 29.536 29.700 0.046 0.000 0.746 78 E HN 0.330 nan 8.360 nan 0.000 0.466 79 R N 1.181 121.684 120.500 0.006 0.000 2.115 79 R HA -0.058 4.281 4.340 -0.002 0.000 0.230 79 R C 2.042 178.390 176.300 0.080 0.000 1.111 79 R CA 0.939 57.078 56.100 0.063 0.000 0.976 79 R CB -0.036 30.305 30.300 0.068 0.000 0.870 79 R HN 0.100 nan 8.270 nan 0.000 0.445 80 R N -0.101 120.418 120.500 0.031 0.000 2.075 80 R HA -0.027 4.312 4.340 -0.002 0.000 0.232 80 R C 2.376 178.774 176.300 0.163 0.000 1.126 80 R CA 1.383 57.526 56.100 0.071 0.000 0.963 80 R CB -0.196 30.093 30.300 -0.018 0.000 0.858 80 R HN 0.208 nan 8.270 nan 0.000 0.435 81 I N -0.125 120.494 120.570 0.081 0.000 2.202 81 I HA -0.272 3.897 4.170 -0.002 0.000 0.242 81 I C 2.676 178.937 176.117 0.240 0.000 1.091 81 I CA 1.131 62.553 61.300 0.204 0.000 1.368 81 I CB -0.238 37.801 38.000 0.065 0.000 1.058 81 I HN 0.130 nan 8.210 nan 0.000 0.410 82 R N 0.652 121.246 120.500 0.157 0.000 2.096 82 R HA -0.154 4.185 4.340 -0.002 0.000 0.235 82 R C 2.392 178.766 176.300 0.123 0.000 1.127 82 R CA 1.790 57.974 56.100 0.141 0.000 0.968 82 R CB -0.091 30.277 30.300 0.113 0.000 0.861 82 R HN 0.204 nan 8.270 nan 0.000 0.440 83 S N 0.175 115.957 115.700 0.136 0.000 2.382 83 S HA -0.126 4.343 4.470 -0.002 0.000 0.228 83 S C 1.880 176.595 174.600 0.192 0.000 1.027 83 S CA 1.133 59.407 58.200 0.124 0.000 0.991 83 S CB -0.111 63.210 63.200 0.201 0.000 0.823 83 S HN 0.570 nan 8.310 nan 0.000 0.469 84 A N 1.351 124.313 122.820 0.235 0.000 1.930 84 A HA 0.021 4.340 4.320 -0.002 0.000 0.217 84 A C 2.025 179.756 177.584 0.245 0.000 1.175 84 A CA 0.968 53.136 52.037 0.217 0.000 0.627 84 A CB -0.606 18.460 19.000 0.110 0.000 0.815 84 A HN 0.490 nan 8.150 nan 0.000 0.443 85 I N -0.841 119.862 120.570 0.221 0.000 2.179 85 I HA -0.269 3.900 4.170 -0.002 0.000 0.242 85 I C 2.754 179.021 176.117 0.250 0.000 1.088 85 I CA 1.357 62.784 61.300 0.211 0.000 1.357 85 I CB -0.406 37.722 38.000 0.214 0.000 1.051 85 I HN 0.280 nan 8.210 nan 0.000 0.409 86 R N 0.079 120.711 120.500 0.220 0.000 2.083 86 R HA -0.227 4.112 4.340 -0.002 0.000 0.237 86 R C 2.264 178.661 176.300 0.162 0.000 1.137 86 R CA 1.955 58.149 56.100 0.156 0.000 0.951 86 R CB -0.558 29.630 30.300 -0.187 0.000 0.851 86 R HN 0.569 nan 8.270 nan 0.000 0.434 87 W N 2.218 123.539 121.300 0.035 0.000 2.354 87 W HA -0.200 4.459 4.660 -0.002 0.000 0.315 87 W C 1.231 177.787 176.519 0.061 0.000 1.206 87 W CA 1.421 58.798 57.345 0.054 0.000 1.290 87 W CB -0.336 29.158 29.460 0.056 0.000 1.152 87 W HN 0.111 nan 8.180 nan 0.000 0.489 88 N N 0.876 119.678 118.700 0.169 0.000 2.166 88 N HA -0.154 4.585 4.740 -0.002 0.000 0.186 88 N C 1.848 177.327 175.510 -0.053 0.000 1.019 88 N CA 2.113 55.220 53.050 0.095 0.000 0.856 88 N CB -1.013 37.581 38.487 0.178 0.000 0.993 88 N HN 0.205 nan 8.380 nan 0.000 0.426 89 A N 1.105 123.893 122.820 -0.053 0.000 1.902 89 A HA -0.058 4.261 4.320 -0.002 0.000 0.217 89 A C 2.318 179.806 177.584 -0.160 0.000 1.181 89 A CA 0.896 52.852 52.037 -0.135 0.000 0.623 89 A CB -0.587 18.362 19.000 -0.085 0.000 0.818 89 A HN 0.215 nan 8.150 nan 0.000 0.443 90 I N -0.831 119.647 120.570 -0.153 0.000 2.202 90 I HA -0.252 3.917 4.170 -0.002 0.000 0.242 90 I C 2.562 178.486 176.117 -0.323 0.000 1.091 90 I CA 1.037 62.212 61.300 -0.209 0.000 1.368 90 I CB -0.367 37.502 38.000 -0.218 0.000 1.058 90 I HN 0.235 nan 8.210 nan 0.000 0.410 91 M N 0.247 119.559 119.600 -0.480 0.000 2.108 91 M HA -0.179 4.300 4.480 -0.002 0.000 0.261 91 M C 2.445 178.584 176.300 -0.269 0.000 1.066 91 M CA 1.957 56.962 55.300 -0.491 0.000 1.107 91 M CB -1.738 30.470 32.600 -0.653 0.000 1.356 91 M HN 0.236 nan 8.290 nan 0.000 0.406 92 T N 0.789 115.264 114.554 -0.132 0.000 2.684 92 T HA -0.099 4.250 4.350 -0.002 0.000 0.267 92 T C 2.065 176.630 174.700 -0.225 0.000 1.036 92 T CA 1.621 63.635 62.100 -0.143 0.000 1.148 92 T CB -0.386 68.266 68.868 -0.361 0.000 0.863 92 T HN 0.178 nan 8.240 nan 0.000 0.436 93 V N 1.280 121.032 119.914 -0.271 0.000 2.358 93 V HA -0.057 4.062 4.120 -0.002 0.000 0.246 93 V C 2.498 178.568 176.094 -0.040 0.000 1.047 93 V CA 1.271 63.502 62.300 -0.115 0.000 1.035 93 V CB -0.659 31.115 31.823 -0.082 0.000 0.658 93 V HN 0.419 nan 8.190 nan 0.000 0.452 94 L N -0.537 120.624 121.223 -0.103 0.000 2.046 94 L HA -0.163 4.176 4.340 -0.002 0.000 0.208 94 L C 2.831 179.656 176.870 -0.074 0.000 1.077 94 L CA 1.632 56.417 54.840 -0.091 0.000 0.747 94 L CB -0.537 41.434 42.059 -0.146 0.000 0.896 94 L HN 0.243 nan 8.230 nan 0.000 0.432 95 R N -0.289 120.152 120.500 -0.099 0.000 2.120 95 R HA -0.151 4.188 4.340 -0.002 0.000 0.234 95 R C 2.371 178.665 176.300 -0.010 0.000 1.123 95 R CA 1.266 57.323 56.100 -0.072 0.000 0.975 95 R CB -0.396 29.851 30.300 -0.089 0.000 0.866 95 R HN 0.362 nan 8.270 nan 0.000 0.446 96 A N 0.648 123.494 122.820 0.043 0.000 1.898 96 A HA -0.139 4.181 4.320 -0.002 0.000 0.216 96 A C 2.209 179.815 177.584 0.036 0.000 1.181 96 A CA 1.675 53.764 52.037 0.086 0.000 0.620 96 A CB -0.406 18.737 19.000 0.238 0.000 0.819 96 A HN 0.237 nan 8.150 nan 0.000 0.442 97 S N 0.301 116.017 115.700 0.026 0.000 2.359 97 S HA -0.210 4.260 4.470 -0.002 0.000 0.224 97 S C 1.859 176.456 174.600 -0.004 0.000 1.035 97 S CA 1.713 59.919 58.200 0.009 0.000 1.018 97 S CB -0.359 62.843 63.200 0.004 0.000 0.876 97 S HN 0.636 nan 8.310 nan 0.000 0.448 98 K N 1.265 121.657 120.400 -0.014 0.000 2.173 98 K HA -0.163 4.156 4.320 -0.002 0.000 0.207 98 K C 1.881 178.471 176.600 -0.017 0.000 1.046 98 K CA 1.285 57.560 56.287 -0.019 0.000 0.929 98 K CB -0.212 32.269 32.500 -0.031 0.000 0.720 98 K HN 0.373 nan 8.250 nan 0.000 0.453 99 K N 0.606 120.997 120.400 -0.015 0.000 2.362 99 K HA -0.123 4.196 4.320 -0.002 0.000 0.200 99 K C 0.284 176.873 176.600 -0.018 0.000 1.046 99 K CA 0.722 56.998 56.287 -0.019 0.000 0.952 99 K CB -0.092 32.395 32.500 -0.021 0.000 0.753 99 K HN 0.060 nan 8.250 nan 0.000 0.466 100 D N 0.341 120.733 120.400 -0.013 0.000 2.723 100 D HA -0.170 4.469 4.640 -0.002 0.000 0.236 100 D C -0.550 175.741 176.300 -0.015 0.000 1.138 100 D CA 0.566 54.559 54.000 -0.012 0.000 0.676 100 D CB -1.098 39.696 40.800 -0.011 0.000 1.069 100 D HN 0.229 nan 8.370 nan 0.000 0.430 101 L N 0.342 121.554 121.223 -0.018 0.000 3.066 101 L HA 0.174 4.513 4.340 -0.002 0.000 0.265 101 L C 0.736 177.592 176.870 -0.025 0.000 1.232 101 L CA -0.436 54.391 54.840 -0.023 0.000 1.031 101 L CB 0.310 42.350 42.059 -0.031 0.000 1.379 101 L HN -0.058 nan 8.230 nan 0.000 0.563 102 E N 0.365 120.554 120.200 -0.019 0.000 2.403 102 E HA -0.245 4.104 4.350 -0.002 0.000 0.241 102 E C 1.070 177.649 176.600 -0.034 0.000 1.201 102 E CA 0.528 56.917 56.400 -0.019 0.000 0.721 102 E CB -1.587 28.104 29.700 -0.014 0.000 1.245 102 E HN 0.555 nan 8.360 nan 0.000 0.392 103 L N -1.066 120.130 121.223 -0.044 0.000 2.109 103 L HA -0.035 4.304 4.340 -0.002 0.000 0.207 103 L C 1.615 178.425 176.870 -0.100 0.000 1.086 103 L CA 1.169 55.959 54.840 -0.083 0.000 0.760 103 L CB -0.486 41.519 42.059 -0.090 0.000 0.910 103 L HN 0.510 nan 8.230 nan 0.000 0.437 104 G N -0.652 108.116 108.800 -0.053 0.000 2.681 104 G HA2 0.190 4.149 3.960 -0.002 0.000 0.220 104 G HA3 0.190 4.149 3.960 -0.002 0.000 0.220 104 G C -0.013 174.870 174.900 -0.028 0.000 1.353 104 G CA -0.405 44.656 45.100 -0.065 0.000 0.872 104 G HN 0.897 nan 8.290 nan 0.000 0.557 105 G N -2.102 106.629 108.800 -0.115 0.000 2.453 105 G HA2 0.544 4.504 3.960 -0.002 0.000 0.665 105 G HA3 0.544 4.504 3.960 -0.002 0.000 0.665 105 G C -0.848 173.996 174.900 -0.093 0.000 1.411 105 G CA 0.374 45.496 45.100 0.037 0.000 0.889 105 G HN 1.604 nan 8.290 nan 0.000 0.651 106 H N 0.398 119.617 119.070 0.249 0.000 2.567 106 H HA 0.790 5.345 4.556 -0.002 0.000 0.345 106 H C 1.300 176.731 175.328 0.172 0.000 1.169 106 H CA -0.772 55.403 56.048 0.211 0.000 1.227 106 H CB 1.905 31.827 29.762 0.266 0.000 1.607 106 H HN 0.478 nan 8.280 nan 0.000 0.534 107 M N -0.052 119.732 119.600 0.307 0.000 2.227 107 M HA 0.210 4.689 4.480 -0.002 0.000 0.226 107 M C 2.112 178.567 176.300 0.258 0.000 1.423 107 M CA 0.599 56.040 55.300 0.235 0.000 1.055 107 M CB 0.282 32.975 32.600 0.154 0.000 1.572 107 M HN 0.636 nan 8.290 nan 0.000 0.567 108 A N 0.457 123.419 122.820 0.236 0.000 1.892 108 A HA -0.209 4.110 4.320 -0.002 0.000 0.218 108 A C 2.217 179.934 177.584 0.222 0.000 1.188 108 A CA 2.649 54.814 52.037 0.213 0.000 0.631 108 A CB -1.049 18.059 19.000 0.180 0.000 0.822 108 A HN 0.447 nan 8.150 nan 0.000 0.447 109 S N -1.610 114.231 115.700 0.235 0.000 2.351 109 S HA -0.187 4.283 4.470 -0.002 0.000 0.220 109 S C 1.768 176.527 174.600 0.265 0.000 1.035 109 S CA 1.781 60.119 58.200 0.231 0.000 1.031 109 S CB -0.533 62.812 63.200 0.242 0.000 0.928 109 S HN 0.617 nan 8.310 nan 0.000 0.433 110 F N 2.412 122.459 119.950 0.161 0.000 2.161 110 F HA -0.061 4.465 4.527 -0.002 0.000 0.300 110 F C 2.486 178.390 175.800 0.174 0.000 1.089 110 F CA 1.675 59.764 58.000 0.150 0.000 1.282 110 F CB -0.642 38.411 39.000 0.088 0.000 1.010 110 F HN 0.236 nan 8.300 nan 0.000 0.485 111 Q N 0.057 119.900 119.800 0.072 0.000 2.170 111 Q HA -0.157 4.182 4.340 -0.002 0.000 0.203 111 Q C 2.464 178.549 176.000 0.141 0.000 0.976 111 Q CA 1.726 57.558 55.803 0.049 0.000 0.858 111 Q CB -0.658 28.208 28.738 0.214 0.000 0.907 111 Q HN 0.596 nan 8.270 nan 0.000 0.433 112 S N -0.898 114.891 115.700 0.150 0.000 2.501 112 S HA 0.002 4.471 4.470 -0.002 0.000 0.220 112 S C 1.690 176.273 174.600 -0.028 0.000 0.997 112 S CA 0.725 59.022 58.200 0.162 0.000 0.919 112 S CB 0.121 63.417 63.200 0.160 0.000 0.778 112 S HN 0.274 nan 8.310 nan 0.000 0.523 113 S N -0.126 115.559 115.700 -0.025 0.000 2.603 113 S HA 0.612 5.081 4.470 -0.002 0.000 0.232 113 S C 1.652 176.262 174.600 0.016 0.000 1.016 113 S CA 0.116 58.315 58.200 -0.002 0.000 0.976 113 S CB 0.162 63.470 63.200 0.180 0.000 0.921 113 S HN 0.551 nan 8.310 nan 0.000 0.516 114 A N 2.466 125.121 122.820 -0.275 0.000 1.908 114 A HA -0.055 4.264 4.320 -0.002 0.000 0.218 114 A C 2.246 179.832 177.584 0.003 0.000 1.181 114 A CA 2.303 54.116 52.037 -0.374 0.000 0.627 114 A CB -1.660 16.843 19.000 -0.828 0.000 0.818 114 A HN 0.558 nan 8.150 nan 0.000 0.445 115 T N 0.182 114.725 114.554 -0.018 0.000 2.867 115 T HA -0.049 4.300 4.350 -0.002 0.000 0.268 115 T C 1.749 176.490 174.700 0.069 0.000 1.057 115 T CA 1.368 63.495 62.100 0.047 0.000 1.136 115 T CB -0.394 68.487 68.868 0.022 0.000 0.874 115 T HN 0.451 nan 8.240 nan 0.000 0.466 116 I N -0.141 120.444 120.570 0.026 0.000 2.142 116 I HA -0.176 3.993 4.170 -0.002 0.000 0.240 116 I C 2.154 178.260 176.117 -0.018 0.000 1.078 116 I CA 1.545 62.861 61.300 0.027 0.000 1.343 116 I CB -0.410 37.594 38.000 0.008 0.000 1.046 116 I HN 0.185 nan 8.210 nan 0.000 0.405 117 Y N 0.601 120.959 120.300 0.097 0.000 2.181 117 Y HA -0.286 4.263 4.550 -0.002 0.000 0.288 117 Y C 2.328 178.324 175.900 0.161 0.000 1.146 117 Y CA 1.805 59.956 58.100 0.086 0.000 1.164 117 Y CB -0.633 38.031 38.460 0.341 0.000 0.982 117 Y HN 0.207 nan 8.280 nan 0.000 0.515 118 D N -0.345 120.274 120.400 0.365 0.000 2.123 118 D HA -0.170 4.469 4.640 -0.002 0.000 0.196 118 D C 2.125 178.558 176.300 0.222 0.000 0.992 118 D CA 1.374 55.561 54.000 0.313 0.000 0.833 118 D CB -0.135 40.802 40.800 0.229 0.000 0.954 118 D HN 0.089 nan 8.370 nan 0.000 0.455 119 V N -0.247 119.772 119.914 0.175 0.000 2.407 119 V HA -0.282 3.837 4.120 -0.002 0.000 0.248 119 V C 2.685 178.837 176.094 0.096 0.000 1.055 119 V CA 1.458 63.924 62.300 0.276 0.000 1.049 119 V CB -0.475 31.549 31.823 0.335 0.000 0.662 119 V HN 0.458 nan 8.190 nan 0.000 0.455 120 C N -0.685 118.411 119.300 -0.339 0.000 2.429 120 C HA -0.113 4.346 4.460 -0.002 0.000 0.277 120 C C 2.495 177.013 174.990 -0.786 0.000 1.262 120 C CA 0.717 59.180 59.018 -0.924 0.000 1.733 120 C CB -1.213 25.302 27.740 -2.043 0.000 2.010 120 C HN 0.539 nan 8.230 nan 0.000 0.483 121 F N 1.445 121.183 119.950 -0.354 0.000 2.259 121 F HA -0.043 4.483 4.527 -0.001 0.000 0.298 121 F C 2.326 178.058 175.800 -0.114 0.000 1.088 121 F CA 1.198 59.162 58.000 -0.060 0.000 1.358 121 F CB -0.461 38.599 39.000 0.099 0.000 1.040 121 F HN 0.277 nan 8.300 nan 0.000 0.505 122 N N -1.368 117.314 118.700 -0.029 0.000 2.333 122 N HA -0.068 4.671 4.740 -0.002 0.000 0.178 122 N C 1.180 176.261 175.510 -0.716 0.000 1.018 122 N CA 1.076 53.907 53.050 -0.365 0.000 0.882 122 N CB -0.126 38.094 38.487 -0.446 0.000 0.984 122 N HN 0.372 nan 8.380 nan 0.000 0.434 123 H N -2.694 116.320 119.070 -0.093 0.000 3.360 123 H HA 0.241 4.796 4.556 -0.002 0.000 0.262 123 H C 0.464 175.421 175.328 -0.618 0.000 1.149 123 H CA -0.018 55.827 56.048 -0.339 0.000 1.181 123 H CB 0.569 30.103 29.762 -0.380 0.000 1.564 123 H HN 0.109 nan 8.280 nan 0.000 0.565 124 F N -0.456 119.448 119.950 -0.076 0.000 2.496 124 F HA 0.178 4.704 4.527 -0.002 0.000 0.274 124 F C 0.376 176.236 175.800 0.100 0.000 0.924 124 F CA -0.435 57.543 58.000 -0.037 0.000 1.147 124 F CB 0.065 38.954 39.000 -0.185 0.000 0.969 124 F HN -0.185 nan 8.300 nan 0.000 0.749 125 F N 3.991 123.980 119.950 0.065 0.000 2.506 125 F HA 0.079 4.605 4.527 -0.002 0.000 0.387 125 F C 0.848 176.693 175.800 0.075 0.000 1.053 125 F CA -0.345 57.659 58.000 0.007 0.000 1.083 125 F CB -0.763 38.109 39.000 -0.213 0.000 1.010 125 F HN -0.212 nan 8.300 nan 0.000 0.551 126 R N 2.313 123.002 120.500 0.315 0.000 2.340 126 R HA 0.584 4.924 4.340 -0.002 0.000 0.300 126 R C 0.192 176.593 176.300 0.168 0.000 1.069 126 R CA -0.509 55.730 56.100 0.233 0.000 0.984 126 R CB 0.888 31.312 30.300 0.206 0.000 1.003 126 R HN 0.675 nan 8.270 nan 0.000 0.459 127 A N 2.992 125.904 122.820 0.153 0.000 2.271 127 A HA 0.282 4.601 4.320 -0.002 0.000 0.288 127 A C 0.104 177.730 177.584 0.071 0.000 1.094 127 A CA -0.615 51.486 52.037 0.106 0.000 0.828 127 A CB 0.472 19.525 19.000 0.089 0.000 1.091 127 A HN 0.812 nan 8.150 nan 0.000 0.493 128 R N 0.264 120.796 120.500 0.054 0.000 2.638 128 R HA 0.098 4.437 4.340 -0.002 0.000 0.268 128 R C -0.177 176.133 176.300 0.016 0.000 1.006 128 R CA 1.158 57.276 56.100 0.029 0.000 1.088 128 R CB -0.082 30.237 30.300 0.032 0.000 0.950 128 R HN 0.993 nan 8.270 nan 0.000 0.419 129 N N -0.249 118.434 118.700 -0.029 0.000 3.204 129 N HA 0.036 4.775 4.740 -0.002 0.000 0.285 129 N C -0.167 175.323 175.510 -0.033 0.000 1.536 129 N CA -0.906 52.114 53.050 -0.051 0.000 0.832 129 N CB 0.671 39.019 38.487 -0.231 0.000 1.645 129 N HN 0.579 nan 8.380 nan 0.000 0.586 130 E N -0.968 119.219 120.200 -0.023 0.000 2.110 130 E HA -0.246 4.103 4.350 -0.002 0.000 0.193 130 E C 0.875 177.466 176.600 -0.016 0.000 0.988 130 E CA 1.568 57.966 56.400 -0.003 0.000 0.804 130 E CB 0.094 29.801 29.700 0.011 0.000 0.745 130 E HN 0.516 nan 8.360 nan 0.000 0.458 131 Q N 0.770 120.542 119.800 -0.047 0.000 2.062 131 Q HA 0.029 4.368 4.340 -0.002 0.000 0.196 131 Q C 0.026 176.005 176.000 -0.035 0.000 0.967 131 Q CA 1.680 57.457 55.803 -0.043 0.000 0.832 131 Q CB 0.106 28.805 28.738 -0.065 0.000 0.899 131 Q HN 0.479 nan 8.270 nan 0.000 0.442 132 D N -3.992 116.379 120.400 -0.049 0.000 2.626 132 D HA 0.391 5.030 4.640 -0.002 0.000 0.278 132 D C 0.416 176.710 176.300 -0.010 0.000 1.211 132 D CA -0.467 53.520 54.000 -0.023 0.000 0.903 132 D CB 0.208 40.992 40.800 -0.025 0.000 1.408 132 D HN -0.026 nan 8.370 nan 0.000 0.454 133 G N -1.168 107.644 108.800 0.019 0.000 2.882 133 G HA2 0.433 4.392 3.960 -0.002 0.000 0.206 133 G HA3 0.433 4.392 3.960 -0.002 0.000 0.206 133 G C 0.973 175.900 174.900 0.044 0.000 1.155 133 G CA 0.306 45.428 45.100 0.037 0.000 0.800 133 G HN 1.075 nan 8.290 nan 0.000 0.524 134 G N 0.099 108.916 108.800 0.028 0.000 2.750 134 G HA2 -0.222 3.737 3.960 -0.002 0.000 0.228 134 G HA3 -0.222 3.737 3.960 -0.002 0.000 0.228 134 G C -0.640 174.311 174.900 0.085 0.000 1.367 134 G CA -0.314 44.815 45.100 0.049 0.000 0.871 134 G HN 0.261 nan 8.290 nan 0.000 0.560 135 D N 0.311 120.781 120.400 0.118 0.000 2.424 135 D HA 0.377 5.016 4.640 -0.002 0.000 0.244 135 D C 0.797 177.166 176.300 0.115 0.000 1.134 135 D CA 0.256 54.345 54.000 0.149 0.000 0.881 135 D CB 0.740 41.715 40.800 0.291 0.000 1.191 135 D HN 0.461 nan 8.370 nan 0.000 0.445 136 L N 2.208 123.513 121.223 0.136 0.000 2.259 136 L HA 0.271 4.610 4.340 -0.002 0.000 0.288 136 L C -0.384 176.564 176.870 0.130 0.000 1.051 136 L CA -0.810 54.140 54.840 0.184 0.000 0.824 136 L CB 0.888 43.024 42.059 0.128 0.000 1.206 136 L HN -0.039 nan 8.230 nan 0.000 0.429 137 V N 3.421 123.365 119.914 0.050 0.000 2.350 137 V HA 0.197 4.316 4.120 -0.002 0.000 0.276 137 V C -0.516 175.546 176.094 -0.053 0.000 1.028 137 V CA -0.508 61.687 62.300 -0.176 0.000 0.860 137 V CB 0.920 32.113 31.823 -1.049 0.000 0.990 137 V HN 0.396 nan 8.190 nan 0.000 0.453 138 Y N 4.874 125.160 120.300 -0.022 0.000 2.714 138 Y HA 0.449 4.998 4.550 -0.002 0.000 0.333 138 Y C 0.310 176.326 175.900 0.194 0.000 1.220 138 Y CA -1.151 57.023 58.100 0.123 0.000 1.513 138 Y CB -0.323 38.155 38.460 0.029 0.000 1.435 138 Y HN 0.501 nan 8.280 nan 0.000 0.489 139 F N 0.860 121.003 119.950 0.322 0.000 2.563 139 F HA 0.011 4.537 4.527 -0.001 0.000 0.363 139 F C 1.061 176.973 175.800 0.187 0.000 1.123 139 F CA -0.169 57.972 58.000 0.235 0.000 1.307 139 F CB 0.504 39.579 39.000 0.124 0.000 1.115 139 F HN 0.321 nan 8.300 nan 0.000 0.592 140 Q N 2.361 122.404 119.800 0.405 0.000 2.271 140 Q HA 0.109 4.448 4.340 -0.002 0.000 0.273 140 Q C 1.331 177.334 176.000 0.006 0.000 1.051 140 Q CA 0.249 56.138 55.803 0.143 0.000 0.901 140 Q CB 1.072 29.847 28.738 0.062 0.000 1.174 140 Q HN 0.964 nan 8.270 nan 0.000 0.385 141 G N 3.917 112.736 108.800 0.032 0.000 2.505 141 G HA2 -0.317 3.642 3.960 -0.002 0.000 0.220 141 G HA3 -0.317 3.642 3.960 -0.002 0.000 0.220 141 G C 0.828 175.874 174.900 0.244 0.000 1.145 141 G CA 1.068 46.196 45.100 0.046 0.000 0.761 141 G HN 0.926 nan 8.290 nan 0.000 0.571 142 H N 0.701 119.844 119.070 0.121 0.000 2.561 142 H HA 0.020 4.575 4.556 -0.002 0.000 0.278 142 H C 2.064 177.567 175.328 0.292 0.000 1.014 142 H CA 0.818 57.057 56.048 0.319 0.000 1.211 142 H CB -0.655 29.197 29.762 0.149 0.000 1.365 142 H HN 0.616 nan 8.280 nan 0.000 0.594 143 I N -0.241 120.399 120.570 0.115 0.000 3.861 143 I HA 0.142 4.311 4.170 -0.002 0.000 0.329 143 I C 1.890 177.910 176.117 -0.163 0.000 1.321 143 I CA 0.039 61.381 61.300 0.070 0.000 1.126 143 I CB -0.224 37.882 38.000 0.176 0.000 1.018 143 I HN 0.034 nan 8.210 nan 0.000 0.407 144 S N 1.464 117.117 115.700 -0.078 0.000 2.380 144 S HA -0.084 4.385 4.470 -0.002 0.000 0.229 144 S C -0.307 174.037 174.600 -0.427 0.000 1.043 144 S CA 1.296 59.357 58.200 -0.232 0.000 1.038 144 S CB -2.252 60.866 63.200 -0.137 0.000 0.872 144 S HN 0.371 nan 8.310 nan 0.000 0.456 145 P HA 0.029 nan 4.420 nan 0.000 0.218 145 P C 1.834 178.832 177.300 -0.504 0.000 1.148 145 P CA 1.592 64.494 63.100 -0.331 0.000 0.822 145 P CB -0.688 30.811 31.700 -0.334 0.000 0.784 146 G N -0.487 107.753 108.800 -0.934 0.000 2.402 146 G HA2 -0.195 3.764 3.960 -0.002 0.000 0.216 146 G HA3 -0.195 3.764 3.960 -0.002 0.000 0.216 146 G C 1.597 175.978 174.900 -0.866 0.000 1.162 146 G CA 0.537 44.627 45.100 -1.684 0.000 0.777 146 G HN 0.139 nan 8.290 nan 0.000 0.539 147 V N 0.168 119.681 119.914 -0.669 0.000 2.295 147 V HA -0.186 3.933 4.120 -0.002 0.000 0.246 147 V C 2.478 178.428 176.094 -0.239 0.000 1.049 147 V CA 1.394 63.422 62.300 -0.454 0.000 1.024 147 V CB -0.732 30.811 31.823 -0.467 0.000 0.648 147 V HN 0.381 nan 8.190 nan 0.000 0.447 148 Y N 0.757 120.946 120.300 -0.186 0.000 2.224 148 Y HA -0.123 4.426 4.550 -0.002 0.000 0.289 148 Y C 2.531 178.320 175.900 -0.184 0.000 1.146 148 Y CA 0.699 58.681 58.100 -0.196 0.000 1.182 148 Y CB -1.354 36.977 38.460 -0.215 0.000 0.983 148 Y HN 0.206 nan 8.280 nan 0.000 0.524 149 A N 0.158 122.934 122.820 -0.074 0.000 1.902 149 A HA -0.211 4.108 4.320 -0.002 0.000 0.217 149 A C 2.425 180.023 177.584 0.024 0.000 1.181 149 A CA 1.800 53.812 52.037 -0.040 0.000 0.623 149 A CB -0.687 18.263 19.000 -0.083 0.000 0.818 149 A HN 0.416 nan 8.150 nan 0.000 0.443 150 R N -0.359 120.091 120.500 -0.084 0.000 2.066 150 R HA -0.055 4.284 4.340 -0.002 0.000 0.232 150 R C 2.285 178.533 176.300 -0.087 0.000 1.131 150 R CA 1.463 57.489 56.100 -0.124 0.000 0.955 150 R CB -0.455 29.639 30.300 -0.343 0.000 0.851 150 R HN 0.395 nan 8.270 nan 0.000 0.432 151 A N 0.640 123.434 122.820 -0.043 0.000 1.908 151 A HA -0.210 4.109 4.320 -0.002 0.000 0.218 151 A C 1.993 179.570 177.584 -0.012 0.000 1.181 151 A CA 1.447 53.493 52.037 0.014 0.000 0.627 151 A CB -0.851 18.246 19.000 0.162 0.000 0.818 151 A HN 0.581 nan 8.150 nan 0.000 0.445 152 F N 0.069 119.944 119.950 -0.124 0.000 2.102 152 F HA -0.132 4.394 4.527 -0.002 0.000 0.298 152 F C 1.786 177.528 175.800 -0.097 0.000 1.105 152 F CA 1.727 59.636 58.000 -0.152 0.000 1.239 152 F CB -0.449 38.414 39.000 -0.228 0.000 0.991 152 F HN 0.172 nan 8.300 nan 0.000 0.474 153 L N 0.971 122.069 121.223 -0.208 0.000 2.083 153 L HA -0.169 4.170 4.340 -0.002 0.000 0.209 153 L C 1.938 178.701 176.870 -0.179 0.000 1.083 153 L CA 1.882 56.585 54.840 -0.230 0.000 0.752 153 L CB -0.896 41.157 42.059 -0.010 0.000 0.899 153 L HN 0.231 nan 8.230 nan 0.000 0.433 154 E N -0.704 119.400 120.200 -0.159 0.000 2.512 154 E HA 0.136 4.485 4.350 -0.002 0.000 0.195 154 E C 1.199 177.743 176.600 -0.092 0.000 1.083 154 E CA 0.498 56.815 56.400 -0.138 0.000 0.873 154 E CB -0.299 29.303 29.700 -0.164 0.000 0.897 154 E HN 0.558 nan 8.360 nan 0.000 0.514 155 G N 1.965 110.650 108.800 -0.192 0.000 2.179 155 G HA2 -0.366 3.593 3.960 -0.002 0.000 0.257 155 G HA3 -0.366 3.593 3.960 -0.002 0.000 0.257 155 G C 0.858 175.654 174.900 -0.173 0.000 1.010 155 G CA 0.494 45.470 45.100 -0.206 0.000 0.736 155 G HN 0.307 nan 8.290 nan 0.000 0.513 156 R N -1.224 119.180 120.500 -0.159 0.000 2.254 156 R HA 0.362 4.701 4.340 -0.002 0.000 0.195 156 R C 0.907 177.162 176.300 -0.076 0.000 0.957 156 R CA 0.433 56.465 56.100 -0.113 0.000 1.024 156 R CB 0.340 30.590 30.300 -0.083 0.000 0.952 156 R HN 0.436 nan 8.270 nan 0.000 0.484 157 L N 0.470 121.653 121.223 -0.067 0.000 2.370 157 L HA 0.323 4.662 4.340 -0.002 0.000 0.266 157 L C 0.306 177.206 176.870 0.049 0.000 1.002 157 L CA -0.879 53.920 54.840 -0.068 0.000 0.818 157 L CB 2.233 44.215 42.059 -0.128 0.000 1.325 157 L HN -0.004 nan 8.230 nan 0.000 0.418 158 T N -2.578 111.983 114.554 0.011 0.000 2.881 158 T HA 0.146 4.495 4.350 -0.002 0.000 0.278 158 T C 0.607 175.334 174.700 0.045 0.000 0.982 158 T CA -0.414 61.733 62.100 0.077 0.000 0.989 158 T CB 1.578 70.447 68.868 0.001 0.000 1.058 158 T HN 0.720 nan 8.240 nan 0.000 0.529 159 Q N -0.229 119.613 119.800 0.071 0.000 2.167 159 Q HA -0.155 4.184 4.340 -0.002 0.000 0.202 159 Q C 2.101 178.009 176.000 -0.154 0.000 0.970 159 Q CA 1.663 57.357 55.803 -0.182 0.000 0.855 159 Q CB -0.127 28.617 28.738 0.010 0.000 0.911 159 Q HN 0.915 nan 8.270 nan 0.000 0.438 160 E N -0.078 120.081 120.200 -0.067 0.000 2.110 160 E HA -0.244 4.105 4.350 -0.002 0.000 0.193 160 E C 1.953 178.494 176.600 -0.099 0.000 0.988 160 E CA 1.223 57.588 56.400 -0.058 0.000 0.804 160 E CB 0.088 29.766 29.700 -0.037 0.000 0.745 160 E HN 0.485 nan 8.360 nan 0.000 0.458 161 Q N 0.108 119.824 119.800 -0.140 0.000 2.079 161 Q HA -0.114 4.225 4.340 -0.002 0.000 0.200 161 Q C 2.442 178.302 176.000 -0.232 0.000 0.974 161 Q CA 1.187 56.877 55.803 -0.188 0.000 0.840 161 Q CB -0.011 28.590 28.738 -0.229 0.000 0.898 161 Q HN 0.363 nan 8.270 nan 0.000 0.430 162 L N 0.767 121.797 121.223 -0.321 0.000 2.083 162 L HA -0.210 4.130 4.340 -0.002 0.000 0.209 162 L C 1.534 178.325 176.870 -0.131 0.000 1.083 162 L CA 0.844 55.461 54.840 -0.371 0.000 0.752 162 L CB -0.353 41.201 42.059 -0.843 0.000 0.899 162 L HN 0.196 nan 8.230 nan 0.000 0.433 163 D N -0.283 120.071 120.400 -0.077 0.000 2.348 163 D HA -0.087 4.552 4.640 -0.002 0.000 0.216 163 D C 1.120 177.423 176.300 0.005 0.000 0.970 163 D CA 0.735 54.749 54.000 0.023 0.000 0.889 163 D CB -0.066 40.752 40.800 0.029 0.000 0.912 163 D HN 0.252 nan 8.370 nan 0.000 0.524 164 N N 0.299 118.981 118.700 -0.030 0.000 2.321 164 N HA -0.004 4.735 4.740 -0.002 0.000 0.242 164 N C -0.238 175.256 175.510 -0.026 0.000 1.141 164 N CA -0.340 52.687 53.050 -0.039 0.000 0.864 164 N CB 0.066 38.514 38.487 -0.066 0.000 1.100 164 N HN 0.079 nan 8.380 nan 0.000 0.510 165 F N 2.458 122.320 119.950 -0.147 0.000 2.602 165 F HA 0.001 4.527 4.527 -0.002 0.000 0.385 165 F C 1.228 176.973 175.800 -0.092 0.000 1.063 165 F CA 0.297 58.211 58.000 -0.145 0.000 1.233 165 F CB 0.243 39.181 39.000 -0.103 0.000 1.067 165 F HN 0.158 nan 8.300 nan 0.000 0.564 166 R N 2.840 122.946 120.500 -0.657 0.000 3.878 166 R HA -0.219 4.120 4.340 -0.002 0.000 0.330 166 R C -0.699 175.444 176.300 -0.262 0.000 1.186 166 R CA 1.041 56.799 56.100 -0.569 0.000 0.885 166 R CB -1.829 28.002 30.300 -0.781 0.000 1.377 166 R HN 0.801 nan 8.270 nan 0.000 0.523 167 Q N -0.004 119.696 119.800 -0.166 0.000 2.891 167 Q HA 0.127 4.466 4.340 -0.002 0.000 0.242 167 Q C -0.207 175.764 176.000 -0.047 0.000 0.959 167 Q CA -0.237 55.515 55.803 -0.085 0.000 0.707 167 Q CB 1.210 29.904 28.738 -0.073 0.000 1.283 167 Q HN 0.314 nan 8.270 nan 0.000 0.480 168 E N 0.062 120.243 120.200 -0.031 0.000 2.460 168 E HA 0.002 4.351 4.350 -0.002 0.000 0.200 168 E C 1.449 178.061 176.600 0.020 0.000 1.011 168 E CA 0.130 56.524 56.400 -0.010 0.000 0.912 168 E CB 0.652 30.343 29.700 -0.015 0.000 0.953 168 E HN 0.175 nan 8.360 nan 0.000 0.494 169 V N 1.352 121.293 119.914 0.045 0.000 2.392 169 V HA -0.261 3.858 4.120 -0.002 0.000 0.249 169 V C 1.457 177.521 176.094 -0.050 0.000 1.059 169 V CA 1.987 64.294 62.300 0.011 0.000 1.051 169 V CB -0.558 31.278 31.823 0.022 0.000 0.658 169 V HN 0.338 nan 8.190 nan 0.000 0.455 170 H N -0.523 118.528 119.070 -0.031 0.000 2.547 170 H HA 0.336 4.891 4.556 -0.002 0.000 0.266 170 H C 1.678 176.988 175.328 -0.030 0.000 0.988 170 H CA 0.743 56.773 56.048 -0.029 0.000 1.147 170 H CB 0.143 29.887 29.762 -0.030 0.000 1.365 170 H HN 0.484 nan 8.280 nan 0.000 0.589 171 G N 0.371 109.197 108.800 0.042 0.000 2.397 171 G HA2 -0.318 3.641 3.960 -0.002 0.000 0.211 171 G HA3 -0.318 3.641 3.960 -0.002 0.000 0.211 171 G C 0.875 175.770 174.900 -0.008 0.000 1.077 171 G CA 0.103 45.207 45.100 0.007 0.000 0.649 171 G HN 0.488 nan 8.290 nan 0.000 0.511 172 N N 1.622 120.318 118.700 -0.007 0.000 2.451 172 N HA 0.425 5.164 4.740 -0.002 0.000 0.264 172 N C 0.835 176.301 175.510 -0.074 0.000 1.167 172 N CA 0.631 53.657 53.050 -0.042 0.000 0.898 172 N CB -0.022 38.444 38.487 -0.035 0.000 1.176 172 N HN 0.621 nan 8.380 nan 0.000 0.507 173 G N 0.073 108.829 108.800 -0.075 0.000 2.753 173 G HA2 0.635 4.594 3.960 -0.002 0.000 0.285 173 G HA3 0.635 4.594 3.960 -0.002 0.000 0.285 173 G C -0.885 173.916 174.900 -0.165 0.000 1.344 173 G CA -0.482 44.551 45.100 -0.110 0.000 1.050 173 G HN 0.137 nan 8.290 nan 0.000 0.532 174 L N 0.280 121.386 121.223 -0.195 0.000 2.386 174 L HA 0.400 4.740 4.340 -0.002 0.000 0.271 174 L C 0.107 176.931 176.870 -0.076 0.000 0.993 174 L CA -0.766 53.917 54.840 -0.262 0.000 0.819 174 L CB 2.270 43.924 42.059 -0.676 0.000 1.294 174 L HN 0.397 nan 8.230 nan 0.000 0.414 175 S N 0.171 115.954 115.700 0.138 0.000 2.579 175 S HA 0.022 4.491 4.470 -0.002 0.000 0.275 175 S C 1.267 175.937 174.600 0.116 0.000 1.345 175 S CA -0.104 58.197 58.200 0.168 0.000 1.031 175 S CB 1.479 64.885 63.200 0.344 0.000 0.892 175 S HN 0.855 nan 8.310 nan 0.000 0.529 176 S N 1.542 117.138 115.700 -0.173 0.000 2.359 176 S HA -0.123 4.346 4.470 -0.002 0.000 0.224 176 S C 0.156 174.433 174.600 -0.537 0.000 1.035 176 S CA 1.179 59.048 58.200 -0.552 0.000 1.018 176 S CB -0.528 62.148 63.200 -0.875 0.000 0.876 176 S HN 0.687 nan 8.310 nan 0.000 0.448 177 Y N 0.490 120.763 120.300 -0.046 0.000 2.698 177 Y HA 0.608 5.157 4.550 -0.002 0.000 0.332 177 Y C -2.988 172.318 175.900 -0.989 0.000 1.119 177 Y CA -3.167 54.680 58.100 -0.422 0.000 1.109 177 Y CB -0.032 38.208 38.460 -0.367 0.000 1.308 177 Y HN -0.166 nan 8.280 nan 0.000 0.499 178 P HA 0.127 nan 4.420 nan 0.000 0.269 178 P C -1.100 175.707 177.300 -0.821 0.000 1.263 178 P CA 0.670 62.732 63.100 -1.730 0.000 0.813 178 P CB -0.032 30.935 31.700 -1.222 0.000 0.868 179 H N 4.634 123.607 119.070 -0.162 0.000 3.036 179 H HA 0.193 4.748 4.556 -0.002 0.000 0.295 179 H C -1.974 173.480 175.328 0.209 0.000 1.124 179 H CA -1.947 54.149 56.048 0.079 0.000 1.507 179 H CB 1.375 31.197 29.762 0.100 0.000 1.591 179 H HN 0.223 nan 8.280 nan 0.000 0.510 180 P HA -0.194 nan 4.420 nan 0.000 0.216 180 P C 1.818 179.225 177.300 0.179 0.000 1.150 180 P CA 1.247 64.481 63.100 0.224 0.000 0.837 180 P CB 0.661 32.423 31.700 0.103 0.000 0.786 181 K N 0.074 120.561 120.400 0.146 0.000 2.103 181 K HA -0.116 4.203 4.320 -0.002 0.000 0.207 181 K C 1.827 178.486 176.600 0.097 0.000 1.048 181 K CA 1.531 57.871 56.287 0.088 0.000 0.930 181 K CB -1.119 31.396 32.500 0.026 0.000 0.716 181 K HN 0.105 nan 8.250 nan 0.000 0.444 182 L N -0.869 120.445 121.223 0.152 0.000 2.209 182 L HA 0.165 4.504 4.340 -0.002 0.000 0.207 182 L C 0.771 177.740 176.870 0.165 0.000 1.094 182 L CA 0.470 55.396 54.840 0.145 0.000 0.790 182 L CB 0.025 42.192 42.059 0.179 0.000 0.932 182 L HN 0.118 nan 8.230 nan 0.000 0.447 183 M N 0.644 120.390 119.600 0.243 0.000 2.353 183 M HA 0.222 4.701 4.480 -0.002 0.000 0.218 183 M C -1.883 174.545 176.300 0.214 0.000 1.044 183 M CA -1.211 54.222 55.300 0.222 0.000 0.615 183 M CB 1.652 34.438 32.600 0.311 0.000 1.531 183 M HN -0.243 nan 8.290 nan 0.000 0.378 184 P HA -0.150 nan 4.420 nan 0.000 0.226 184 P C 0.222 177.572 177.300 0.083 0.000 1.146 184 P CA 1.422 64.585 63.100 0.105 0.000 0.773 184 P CB 0.235 31.983 31.700 0.078 0.000 0.772 185 E N -3.127 117.130 120.200 0.095 0.000 2.526 185 E HA 0.127 4.476 4.350 -0.002 0.000 0.208 185 E C 0.923 177.574 176.600 0.086 0.000 0.997 185 E CA -0.211 56.232 56.400 0.071 0.000 0.961 185 E CB 0.083 29.820 29.700 0.062 0.000 1.030 185 E HN 0.237 nan 8.360 nan 0.000 0.483 186 F N -0.039 119.862 119.950 -0.082 0.000 2.515 186 F HA 0.246 4.772 4.527 -0.001 0.000 0.267 186 F C -0.101 175.571 175.800 -0.213 0.000 0.923 186 F CA -0.212 57.659 58.000 -0.215 0.000 1.107 186 F CB 0.193 38.985 39.000 -0.346 0.000 1.175 186 F HN -0.154 nan 8.300 nan 0.000 0.742 187 W N 2.202 123.602 121.300 0.167 0.000 2.150 187 W HA 0.289 4.948 4.660 -0.002 0.000 0.341 187 W C 1.073 177.498 176.519 -0.157 0.000 1.276 187 W CA -0.111 57.235 57.345 0.002 0.000 1.238 187 W CB 0.666 30.205 29.460 0.133 0.000 1.128 187 W HN 0.199 nan 8.180 nan 0.000 0.581 188 Q N 0.638 120.440 119.800 0.003 0.000 2.534 188 Q HA 0.163 4.502 4.340 -0.002 0.000 0.252 188 Q C -0.599 174.888 176.000 -0.855 0.000 0.850 188 Q CA 0.311 55.759 55.803 -0.592 0.000 0.974 188 Q CB 0.648 28.742 28.738 -1.074 0.000 1.205 188 Q HN 0.315 nan 8.270 nan 0.000 0.593 189 F N 1.333 121.262 119.950 -0.035 0.000 2.499 189 F HA 0.413 4.939 4.527 -0.002 0.000 0.333 189 F C -2.454 173.310 175.800 -0.061 0.000 1.138 189 F CA -3.003 54.895 58.000 -0.171 0.000 0.945 189 F CB 1.326 39.902 39.000 -0.706 0.000 1.181 189 F HN -0.231 nan 8.300 nan 0.000 0.435 190 P HA 0.156 nan 4.420 nan 0.000 0.275 190 P C 0.630 178.026 177.300 0.160 0.000 1.276 190 P CA 0.125 63.300 63.100 0.124 0.000 0.782 190 P CB 0.725 32.551 31.700 0.210 0.000 0.851 191 T N -1.444 113.161 114.554 0.084 0.000 2.975 191 T HA 0.017 4.366 4.350 -0.002 0.000 0.257 191 T C 1.404 176.140 174.700 0.061 0.000 1.003 191 T CA 0.081 62.258 62.100 0.128 0.000 0.932 191 T CB -0.492 68.477 68.868 0.169 0.000 1.087 191 T HN 0.094 nan 8.240 nan 0.000 0.512 192 V N 2.052 121.946 119.914 -0.034 0.000 2.720 192 V HA 0.076 4.196 4.120 -0.002 0.000 0.256 192 V C 1.270 177.326 176.094 -0.062 0.000 1.082 192 V CA 1.469 63.685 62.300 -0.139 0.000 1.101 192 V CB -0.407 31.141 31.823 -0.458 0.000 0.693 192 V HN 0.597 nan 8.190 nan 0.000 0.479 193 S N 2.631 118.352 115.700 0.035 0.000 2.498 193 S HA 0.267 4.736 4.470 -0.002 0.000 0.314 193 S C 0.325 174.949 174.600 0.041 0.000 1.141 193 S CA -0.615 57.611 58.200 0.043 0.000 1.087 193 S CB -0.396 62.861 63.200 0.096 0.000 1.178 193 S HN 0.439 nan 8.310 nan 0.000 0.533 194 M N 3.698 123.305 119.600 0.012 0.000 2.235 194 M HA 0.066 4.545 4.480 -0.002 0.000 0.336 194 M C 1.756 178.072 176.300 0.026 0.000 1.146 194 M CA 1.487 56.800 55.300 0.022 0.000 1.018 194 M CB -1.077 31.523 32.600 -0.001 0.000 1.694 194 M HN 0.953 nan 8.290 nan 0.000 0.451 195 G N 1.954 110.769 108.800 0.024 0.000 2.336 195 G HA2 -0.266 3.693 3.960 -0.002 0.000 0.233 195 G HA3 -0.266 3.693 3.960 -0.002 0.000 0.233 195 G C 0.772 175.693 174.900 0.034 0.000 1.053 195 G CA 0.337 45.448 45.100 0.020 0.000 0.625 195 G HN 0.615 nan 8.290 nan 0.000 0.511 196 L N 1.184 122.442 121.223 0.058 0.000 2.156 196 L HA 0.143 4.482 4.340 -0.002 0.000 0.208 196 L C 3.092 180.019 176.870 0.095 0.000 1.095 196 L CA 1.552 56.442 54.840 0.084 0.000 0.770 196 L CB -0.895 41.232 42.059 0.114 0.000 0.914 196 L HN 0.403 nan 8.230 nan 0.000 0.439 197 G N 1.195 110.052 108.800 0.095 0.000 2.421 197 G HA2 -0.183 3.776 3.960 -0.002 0.000 0.216 197 G HA3 -0.183 3.776 3.960 -0.002 0.000 0.216 197 G C -0.520 174.305 174.900 -0.126 0.000 1.171 197 G CA 0.659 45.814 45.100 0.093 0.000 0.775 197 G HN 0.318 nan 8.290 nan 0.000 0.543 198 P HA -0.076 nan 4.420 nan 0.000 0.215 198 P C 2.043 179.407 177.300 0.108 0.000 1.157 198 P CA 0.787 63.769 63.100 -0.197 0.000 0.863 198 P CB -0.030 31.500 31.700 -0.284 0.000 0.787 199 I N -0.325 120.319 120.570 0.123 0.000 2.353 199 I HA -0.088 4.081 4.170 -0.002 0.000 0.248 199 I C 2.285 178.534 176.117 0.220 0.000 1.119 199 I CA 1.554 62.984 61.300 0.218 0.000 1.417 199 I CB -0.724 37.380 38.000 0.174 0.000 1.078 199 I HN -0.096 nan 8.210 nan 0.000 0.421 200 G N 0.301 109.157 108.800 0.094 0.000 2.421 200 G HA2 -0.293 3.666 3.960 -0.002 0.000 0.216 200 G HA3 -0.293 3.666 3.960 -0.002 0.000 0.216 200 G C 1.743 176.596 174.900 -0.080 0.000 1.171 200 G CA 0.735 45.887 45.100 0.086 0.000 0.775 200 G HN 0.547 nan 8.290 nan 0.000 0.543 201 A N 0.712 123.259 122.820 -0.454 0.000 1.902 201 A HA 0.040 4.359 4.320 -0.002 0.000 0.217 201 A C 2.405 179.889 177.584 -0.167 0.000 1.181 201 A CA 1.276 52.917 52.037 -0.659 0.000 0.623 201 A CB -0.356 18.189 19.000 -0.758 0.000 0.818 201 A HN 0.388 nan 8.150 nan 0.000 0.443 202 I N -2.023 118.547 120.570 0.001 0.000 2.163 202 I HA -0.305 3.864 4.170 -0.002 0.000 0.243 202 I C 2.298 178.284 176.117 -0.219 0.000 1.085 202 I CA 1.657 62.910 61.300 -0.078 0.000 1.347 202 I CB -0.416 37.544 38.000 -0.067 0.000 1.044 202 I HN 0.412 nan 8.210 nan 0.000 0.408 203 Y N 0.182 120.485 120.300 0.005 0.000 2.457 203 Y HA -0.210 4.339 4.550 -0.002 0.000 0.292 203 Y C 2.625 178.560 175.900 0.059 0.000 1.125 203 Y CA 1.016 59.132 58.100 0.026 0.000 1.254 203 Y CB -0.254 38.211 38.460 0.009 0.000 1.012 203 Y HN 0.199 nan 8.280 nan 0.000 0.555 204 Q N 0.604 120.478 119.800 0.123 0.000 2.083 204 Q HA -0.092 4.247 4.340 -0.002 0.000 0.198 204 Q C 2.318 178.391 176.000 0.123 0.000 0.969 204 Q CA 1.727 57.614 55.803 0.140 0.000 0.838 204 Q CB -0.445 28.352 28.738 0.098 0.000 0.900 204 Q HN 0.340 nan 8.270 nan 0.000 0.436 205 A N 0.715 123.541 122.820 0.010 0.000 1.902 205 A HA -0.206 4.113 4.320 -0.002 0.000 0.217 205 A C 2.089 179.661 177.584 -0.019 0.000 1.181 205 A CA 1.797 53.812 52.037 -0.037 0.000 0.623 205 A CB -0.637 18.291 19.000 -0.119 0.000 0.818 205 A HN 0.423 nan 8.150 nan 0.000 0.443 206 K N -1.747 118.644 120.400 -0.017 0.000 2.097 206 K HA -0.132 4.187 4.320 -0.002 0.000 0.205 206 K C 1.740 178.413 176.600 0.123 0.000 1.050 206 K CA 1.467 57.770 56.287 0.028 0.000 0.938 206 K CB -0.302 32.182 32.500 -0.028 0.000 0.718 206 K HN 0.378 nan 8.250 nan 0.000 0.442 207 F N 1.617 121.572 119.950 0.008 0.000 2.186 207 F HA -0.103 4.423 4.527 -0.001 0.000 0.299 207 F C 1.554 177.382 175.800 0.047 0.000 1.090 207 F CA 1.175 59.183 58.000 0.012 0.000 1.307 207 F CB -0.042 38.960 39.000 0.004 0.000 1.019 207 F HN -0.035 nan 8.300 nan 0.000 0.489 208 L N -0.215 121.020 121.223 0.020 0.000 2.046 208 L HA -0.224 4.115 4.340 -0.002 0.000 0.208 208 L C 2.540 179.300 176.870 -0.182 0.000 1.077 208 L CA 1.141 55.930 54.840 -0.085 0.000 0.747 208 L CB -0.773 41.275 42.059 -0.019 0.000 0.896 208 L HN -0.010 nan 8.230 nan 0.000 0.432 209 K N -0.265 120.049 120.400 -0.144 0.000 2.057 209 K HA -0.222 4.097 4.320 -0.002 0.000 0.207 209 K C 2.072 178.502 176.600 -0.285 0.000 1.049 209 K CA 1.552 57.693 56.287 -0.243 0.000 0.931 209 K CB -0.593 31.851 32.500 -0.094 0.000 0.714 209 K HN 0.278 nan 8.250 nan 0.000 0.440 210 Y N 1.947 122.047 120.300 -0.334 0.000 2.128 210 Y HA -0.197 4.352 4.550 -0.001 0.000 0.284 210 Y C 2.041 177.627 175.900 -0.524 0.000 1.154 210 Y CA 1.426 59.166 58.100 -0.600 0.000 1.149 210 Y CB -0.387 37.553 38.460 -0.866 0.000 0.976 210 Y HN -0.077 nan 8.280 nan 0.000 0.505 211 L N 0.187 121.104 121.223 -0.510 0.000 2.083 211 L HA -0.210 4.129 4.340 -0.002 0.000 0.209 211 L C 2.588 179.257 176.870 -0.335 0.000 1.083 211 L CA 1.931 56.488 54.840 -0.471 0.000 0.752 211 L CB -0.574 41.253 42.059 -0.386 0.000 0.899 211 L HN 0.360 nan 8.230 nan 0.000 0.433 212 E N -0.275 119.742 120.200 -0.305 0.000 2.046 212 E HA -0.201 4.148 4.350 -0.002 0.000 0.190 212 E C 2.075 178.580 176.600 -0.158 0.000 0.982 212 E CA 0.998 57.258 56.400 -0.233 0.000 0.800 212 E CB -0.022 29.516 29.700 -0.270 0.000 0.756 212 E HN 0.588 nan 8.360 nan 0.000 0.449 213 H N -0.571 118.427 119.070 -0.120 0.000 2.421 213 H HA 0.020 4.575 4.556 -0.001 0.000 0.298 213 H C 1.915 177.152 175.328 -0.150 0.000 1.087 213 H CA 0.675 56.681 56.048 -0.070 0.000 1.330 213 H CB 0.284 30.105 29.762 0.099 0.000 1.388 213 H HN -0.032 nan 8.280 nan 0.000 0.526 214 R N 0.076 120.450 120.500 -0.210 0.000 2.276 214 R HA 0.021 4.360 4.340 -0.002 0.000 0.203 214 R C 1.234 177.431 176.300 -0.172 0.000 1.017 214 R CA 0.762 56.691 56.100 -0.286 0.000 1.010 214 R CB -0.028 29.928 30.300 -0.573 0.000 0.900 214 R HN 0.552 nan 8.270 nan 0.000 0.469 215 G N 0.963 109.682 108.800 -0.135 0.000 2.143 215 G HA2 -0.268 3.691 3.960 -0.002 0.000 0.248 215 G HA3 -0.268 3.691 3.960 -0.002 0.000 0.248 215 G C 0.777 175.617 174.900 -0.098 0.000 0.991 215 G CA 0.419 45.464 45.100 -0.091 0.000 0.689 215 G HN 0.318 nan 8.290 nan 0.000 0.522 216 L N -1.057 120.082 121.223 -0.140 0.000 2.095 216 L HA 0.332 4.672 4.340 -0.002 0.000 0.204 216 L C 1.389 178.208 176.870 -0.085 0.000 1.080 216 L CA 1.628 56.398 54.840 -0.116 0.000 0.759 216 L CB 0.062 42.028 42.059 -0.156 0.000 0.914 216 L HN 0.305 nan 8.230 nan 0.000 0.439 217 K N -0.344 119.994 120.400 -0.103 0.000 2.562 217 K HA 0.117 4.436 4.320 -0.002 0.000 0.267 217 K C -1.703 174.847 176.600 -0.083 0.000 0.938 217 K CA -0.683 55.560 56.287 -0.072 0.000 0.840 217 K CB 2.073 34.541 32.500 -0.053 0.000 1.390 217 K HN -0.258 nan 8.250 nan 0.000 0.428 218 D N 2.218 122.583 120.400 -0.059 0.000 2.393 218 D HA 0.078 4.717 4.640 -0.002 0.000 0.232 218 D C 0.388 176.654 176.300 -0.057 0.000 1.192 218 D CA -0.028 53.936 54.000 -0.060 0.000 0.882 218 D CB 1.013 41.788 40.800 -0.042 0.000 1.038 218 D HN 0.548 nan 8.370 nan 0.000 0.499 219 T N -0.574 113.935 114.554 -0.075 0.000 3.145 219 T HA 0.008 4.357 4.350 -0.002 0.000 0.255 219 T C 1.677 176.342 174.700 -0.059 0.000 1.039 219 T CA 0.231 62.294 62.100 -0.061 0.000 0.928 219 T CB -0.228 68.596 68.868 -0.074 0.000 1.029 219 T HN 0.215 nan 8.240 nan 0.000 0.554 220 S N 2.305 117.968 115.700 -0.061 0.000 2.440 220 S HA -0.124 4.345 4.470 -0.002 0.000 0.240 220 S C 1.678 176.259 174.600 -0.032 0.000 1.014 220 S CA 0.652 58.820 58.200 -0.053 0.000 0.980 220 S CB -0.516 62.657 63.200 -0.045 0.000 0.775 220 S HN 0.607 nan 8.310 nan 0.000 0.499 221 K N 0.867 121.256 120.400 -0.019 0.000 2.404 221 K HA 0.186 4.505 4.320 -0.002 0.000 0.194 221 K C 0.196 176.807 176.600 0.019 0.000 1.023 221 K CA 0.055 56.345 56.287 0.004 0.000 1.094 221 K CB 0.173 32.677 32.500 0.005 0.000 0.841 221 K HN 0.568 nan 8.250 nan 0.000 0.523 222 Q N 0.982 120.782 119.800 0.001 0.000 2.256 222 Q HA 0.180 4.519 4.340 -0.002 0.000 0.254 222 Q C -0.638 175.352 176.000 -0.018 0.000 0.916 222 Q CA 0.077 55.888 55.803 0.013 0.000 0.932 222 Q CB 1.664 30.409 28.738 0.012 0.000 1.207 222 Q HN -0.111 nan 8.270 nan 0.000 0.426 223 T N 1.479 116.023 114.554 -0.016 0.000 2.856 223 T HA 0.416 4.766 4.350 -0.002 0.000 0.283 223 T C -0.526 174.060 174.700 -0.190 0.000 1.008 223 T CA -0.574 61.429 62.100 -0.162 0.000 0.997 223 T CB 1.388 70.096 68.868 -0.266 0.000 0.992 223 T HN 0.250 nan 8.240 nan 0.000 0.454 224 V N 3.719 123.483 119.914 -0.249 0.000 2.394 224 V HA 0.414 4.533 4.120 -0.002 0.000 0.282 224 V C -1.153 174.796 176.094 -0.241 0.000 1.031 224 V CA -0.717 61.499 62.300 -0.140 0.000 0.881 224 V CB 0.457 32.223 31.823 -0.095 0.000 0.982 224 V HN 0.777 nan 8.190 nan 0.000 0.451 225 Y N 2.671 123.028 120.300 0.095 0.000 2.335 225 Y HA 0.705 5.254 4.550 -0.001 0.000 0.338 225 Y C 0.359 176.330 175.900 0.118 0.000 0.977 225 Y CA -0.648 57.524 58.100 0.118 0.000 1.114 225 Y CB 2.019 40.659 38.460 0.300 0.000 1.182 225 Y HN 0.668 nan 8.280 nan 0.000 0.463 226 A N 4.511 127.402 122.820 0.119 0.000 2.285 226 A HA 0.673 4.992 4.320 -0.002 0.000 0.310 226 A C -1.547 175.960 177.584 -0.127 0.000 1.266 226 A CA -0.509 51.514 52.037 -0.023 0.000 0.832 226 A CB -0.143 18.653 19.000 -0.340 0.000 1.163 226 A HN 0.590 nan 8.150 nan 0.000 0.499 227 F N 2.978 122.945 119.950 0.028 0.000 2.391 227 F HA 0.536 5.062 4.527 -0.002 0.000 0.359 227 F C 0.217 176.001 175.800 -0.026 0.000 1.122 227 F CA -0.060 57.952 58.000 0.018 0.000 1.120 227 F CB 1.024 40.106 39.000 0.138 0.000 1.142 227 F HN 0.392 nan 8.300 nan 0.000 0.483 228 L N 2.100 123.313 121.223 -0.016 0.000 2.286 228 L HA 0.864 5.203 4.340 -0.002 0.000 0.265 228 L C 0.473 177.342 176.870 -0.001 0.000 1.012 228 L CA -1.216 53.596 54.840 -0.046 0.000 0.818 228 L CB 1.701 43.641 42.059 -0.200 0.000 1.337 228 L HN 0.601 nan 8.230 nan 0.000 0.438 229 G N -0.916 107.901 108.800 0.029 0.000 2.417 229 G HA2 0.349 4.308 3.960 -0.002 0.000 0.334 229 G HA3 0.349 4.308 3.960 -0.002 0.000 0.334 229 G C 0.057 174.963 174.900 0.010 0.000 1.150 229 G CA -0.308 44.823 45.100 0.051 0.000 0.923 229 G HN 0.757 nan 8.290 nan 0.000 0.485 230 D N 0.527 120.929 120.400 0.003 0.000 2.183 230 D HA -0.073 4.566 4.640 -0.002 0.000 0.203 230 D C 2.115 178.418 176.300 0.005 0.000 0.969 230 D CA 1.135 55.128 54.000 -0.012 0.000 0.842 230 D CB -0.703 40.085 40.800 -0.020 0.000 0.957 230 D HN 0.485 nan 8.370 nan 0.000 0.484 231 G N 0.768 109.579 108.800 0.020 0.000 2.408 231 G HA2 -0.307 3.653 3.960 -0.002 0.000 0.217 231 G HA3 -0.307 3.653 3.960 -0.002 0.000 0.217 231 G C 1.474 176.382 174.900 0.013 0.000 1.150 231 G CA 0.717 45.827 45.100 0.017 0.000 0.776 231 G HN 0.489 nan 8.290 nan 0.000 0.542 232 E N -0.092 120.120 120.200 0.021 0.000 2.204 232 E HA -0.127 4.222 4.350 -0.002 0.000 0.195 232 E C 2.236 178.839 176.600 0.004 0.000 0.990 232 E CA 0.707 57.116 56.400 0.016 0.000 0.821 232 E CB -0.133 29.587 29.700 0.034 0.000 0.750 232 E HN 0.257 nan 8.360 nan 0.000 0.477 233 M N 0.966 120.568 119.600 0.003 0.000 2.539 233 M HA -0.103 4.376 4.480 -0.002 0.000 0.261 233 M C 0.909 177.216 176.300 0.011 0.000 1.069 233 M CA 1.072 56.381 55.300 0.014 0.000 1.081 233 M CB -0.660 31.958 32.600 0.031 0.000 1.412 233 M HN 0.051 nan 8.290 nan 0.000 0.482 234 D N 0.552 120.955 120.400 0.005 0.000 2.348 234 D HA -0.026 4.613 4.640 -0.002 0.000 0.216 234 D C 0.422 176.720 176.300 -0.003 0.000 0.970 234 D CA 0.477 54.477 54.000 -0.000 0.000 0.889 234 D CB 0.175 40.975 40.800 -0.001 0.000 0.912 234 D HN 0.263 nan 8.370 nan 0.000 0.524 235 E N 0.591 120.790 120.200 -0.001 0.000 2.324 235 E HA 0.022 4.371 4.350 -0.002 0.000 0.271 235 E C -1.616 174.982 176.600 -0.003 0.000 1.028 235 E CA -1.436 54.963 56.400 -0.001 0.000 0.890 235 E CB 1.126 30.828 29.700 0.003 0.000 1.004 235 E HN 0.076 nan 8.360 nan 0.000 0.431 236 P HA -0.190 nan 4.420 nan 0.000 0.217 236 P C 0.563 177.859 177.300 -0.006 0.000 1.151 236 P CA 1.320 64.413 63.100 -0.012 0.000 0.849 236 P CB 0.351 32.043 31.700 -0.014 0.000 0.787 237 E N -1.244 118.960 120.200 0.006 0.000 2.338 237 E HA -0.061 4.288 4.350 -0.002 0.000 0.197 237 E C 1.954 178.577 176.600 0.038 0.000 1.007 237 E CA 0.762 57.175 56.400 0.021 0.000 0.849 237 E CB -0.694 29.021 29.700 0.024 0.000 0.774 237 E HN 0.199 nan 8.360 nan 0.000 0.506 238 S N 0.432 116.146 115.700 0.024 0.000 2.368 238 S HA -0.054 4.415 4.470 -0.002 0.000 0.224 238 S C 1.490 176.127 174.600 0.061 0.000 1.029 238 S CA 1.095 59.317 58.200 0.038 0.000 0.988 238 S CB 0.049 63.259 63.200 0.017 0.000 0.838 238 S HN 0.200 nan 8.310 nan 0.000 0.462 239 K N 0.146 120.535 120.400 -0.018 0.000 2.380 239 K HA 0.214 4.533 4.320 -0.002 0.000 0.198 239 K C 2.058 178.574 176.600 -0.140 0.000 1.070 239 K CA 0.381 56.580 56.287 -0.147 0.000 1.040 239 K CB 0.123 32.490 32.500 -0.220 0.000 0.903 239 K HN 0.312 nan 8.250 nan 0.000 0.549 240 G N 1.640 110.406 108.800 -0.057 0.000 2.475 240 G HA2 -0.259 3.700 3.960 -0.002 0.000 0.220 240 G HA3 -0.259 3.700 3.960 -0.002 0.000 0.220 240 G C 1.282 176.175 174.900 -0.013 0.000 1.125 240 G CA 1.146 46.224 45.100 -0.038 0.000 0.755 240 G HN 0.326 nan 8.290 nan 0.000 0.565 241 A N 0.288 123.124 122.820 0.027 0.000 2.503 241 A HA 0.426 4.745 4.320 -0.002 0.000 0.263 241 A C 1.992 179.601 177.584 0.043 0.000 1.258 241 A CA 0.259 52.343 52.037 0.078 0.000 0.936 241 A CB -0.173 18.956 19.000 0.215 0.000 1.070 241 A HN 0.549 nan 8.150 nan 0.000 0.522 242 I N -1.715 118.824 120.570 -0.051 0.000 2.454 242 I HA -0.164 4.005 4.170 -0.002 0.000 0.254 242 I C 2.059 178.271 176.117 0.157 0.000 1.156 242 I CA 1.942 63.225 61.300 -0.027 0.000 1.433 242 I CB -1.070 36.565 38.000 -0.608 0.000 1.082 242 I HN 0.248 nan 8.210 nan 0.000 0.432 243 T N -0.269 114.302 114.554 0.028 0.000 2.929 243 T HA -0.038 4.311 4.350 -0.002 0.000 0.271 243 T C 1.864 176.575 174.700 0.019 0.000 1.085 243 T CA 0.831 62.957 62.100 0.043 0.000 1.125 243 T CB -0.500 68.365 68.868 -0.005 0.000 0.874 243 T HN 0.318 nan 8.240 nan 0.000 0.494 244 I N 2.414 122.985 120.570 0.001 0.000 2.286 244 I HA -0.051 4.118 4.170 -0.002 0.000 0.248 244 I C 3.075 179.113 176.117 -0.132 0.000 1.115 244 I CA 1.146 62.407 61.300 -0.066 0.000 1.392 244 I CB -1.791 36.142 38.000 -0.112 0.000 1.065 244 I HN 0.393 nan 8.210 nan 0.000 0.418 245 A N 0.212 122.954 122.820 -0.130 0.000 2.019 245 A HA -0.156 4.163 4.320 -0.002 0.000 0.219 245 A C 2.415 179.783 177.584 -0.360 0.000 1.164 245 A CA 2.120 53.969 52.037 -0.313 0.000 0.644 245 A CB -0.811 17.884 19.000 -0.509 0.000 0.805 245 A HN 0.420 nan 8.150 nan 0.000 0.449 246 T N -0.732 113.684 114.554 -0.229 0.000 2.852 246 T HA -0.039 4.310 4.350 -0.002 0.000 0.256 246 T C 2.075 176.690 174.700 -0.141 0.000 1.038 246 T CA 1.098 63.080 62.100 -0.198 0.000 1.141 246 T CB -0.167 68.654 68.868 -0.078 0.000 0.869 246 T HN 0.503 nan 8.240 nan 0.000 0.439 247 R N 1.187 121.626 120.500 -0.102 0.000 2.083 247 R HA -0.053 4.286 4.340 -0.002 0.000 0.237 247 R C 1.779 178.017 176.300 -0.103 0.000 1.137 247 R CA 1.099 57.148 56.100 -0.086 0.000 0.951 247 R CB -0.113 30.149 30.300 -0.063 0.000 0.851 247 R HN 0.300 nan 8.270 nan 0.000 0.434 248 E N 0.824 120.952 120.200 -0.119 0.000 2.437 248 E HA 0.020 4.369 4.350 -0.002 0.000 0.189 248 E C -0.326 176.201 176.600 -0.120 0.000 1.054 248 E CA 0.021 56.357 56.400 -0.107 0.000 0.874 248 E CB 0.155 29.801 29.700 -0.090 0.000 1.011 248 E HN 0.207 nan 8.360 nan 0.000 0.474 249 K N 0.921 121.226 120.400 -0.157 0.000 3.490 249 K HA -0.181 4.138 4.320 -0.002 0.000 0.273 249 K C -0.336 176.148 176.600 -0.193 0.000 0.916 249 K CA 0.212 56.395 56.287 -0.173 0.000 0.718 249 K CB -1.646 30.784 32.500 -0.116 0.000 1.477 249 K HN 0.212 nan 8.250 nan 0.000 0.452 250 L N 2.251 123.309 121.223 -0.275 0.000 2.395 250 L HA 0.038 4.377 4.340 -0.002 0.000 0.268 250 L C 0.896 177.569 176.870 -0.328 0.000 1.223 250 L CA -0.227 54.443 54.840 -0.284 0.000 1.093 250 L CB -0.204 41.657 42.059 -0.330 0.000 1.349 250 L HN 0.287 nan 8.230 nan 0.000 0.427 251 D N -0.850 119.405 120.400 -0.243 0.000 2.325 251 D HA -0.084 4.555 4.640 -0.002 0.000 0.234 251 D C 0.956 177.134 176.300 -0.203 0.000 1.122 251 D CA -0.045 53.817 54.000 -0.231 0.000 0.850 251 D CB -0.068 40.630 40.800 -0.170 0.000 0.921 251 D HN 0.404 nan 8.370 nan 0.000 0.513 252 N N 0.141 118.714 118.700 -0.210 0.000 2.204 252 N HA 0.093 4.832 4.740 -0.002 0.000 0.219 252 N C -0.371 174.994 175.510 -0.242 0.000 1.151 252 N CA -0.454 52.482 53.050 -0.190 0.000 0.867 252 N CB 0.345 38.745 38.487 -0.144 0.000 1.043 252 N HN 0.215 nan 8.380 nan 0.000 0.516 253 L N 0.581 121.631 121.223 -0.289 0.000 2.341 253 L HA 0.638 4.977 4.340 -0.002 0.000 0.278 253 L C -1.344 175.357 176.870 -0.282 0.000 1.005 253 L CA -0.801 53.867 54.840 -0.286 0.000 0.818 253 L CB 2.103 43.970 42.059 -0.320 0.000 1.259 253 L HN -0.130 nan 8.230 nan 0.000 0.418 254 V N 5.411 125.212 119.914 -0.188 0.000 2.525 254 V HA 0.443 4.562 4.120 -0.002 0.000 0.299 254 V C -0.765 175.439 176.094 0.182 0.000 1.034 254 V CA -0.471 61.783 62.300 -0.077 0.000 0.863 254 V CB 1.413 33.152 31.823 -0.140 0.000 0.999 254 V HN 0.483 nan 8.190 nan 0.000 0.423 255 F N 3.875 123.814 119.950 -0.018 0.000 2.404 255 F HA 0.587 5.113 4.527 -0.001 0.000 0.345 255 F C 0.234 175.849 175.800 -0.307 0.000 1.110 255 F CA -1.060 56.875 58.000 -0.110 0.000 1.130 255 F CB 1.893 40.848 39.000 -0.076 0.000 1.129 255 F HN 0.175 nan 8.300 nan 0.000 0.500 256 V N 6.491 126.216 119.914 -0.315 0.000 2.325 256 V HA 0.347 4.466 4.120 -0.002 0.000 0.280 256 V C 0.008 175.899 176.094 -0.339 0.000 1.016 256 V CA -0.589 61.434 62.300 -0.462 0.000 0.818 256 V CB 1.125 32.424 31.823 -0.875 0.000 1.019 256 V HN 0.451 nan 8.190 nan 0.000 0.434 257 I N 4.158 124.560 120.570 -0.281 0.000 2.297 257 I HA 0.319 4.488 4.170 -0.002 0.000 0.291 257 I C 0.336 176.358 176.117 -0.158 0.000 1.033 257 I CA -0.379 60.795 61.300 -0.211 0.000 1.253 257 I CB 1.138 38.993 38.000 -0.242 0.000 1.396 257 I HN 0.474 nan 8.210 nan 0.000 0.476 258 N N 6.497 125.146 118.700 -0.084 0.000 2.399 258 N HA 0.086 4.825 4.740 -0.002 0.000 0.259 258 N C -0.839 174.642 175.510 -0.048 0.000 1.160 258 N CA -0.216 52.801 53.050 -0.054 0.000 0.946 258 N CB 0.424 38.919 38.487 0.014 0.000 1.156 258 N HN 0.534 nan 8.380 nan 0.000 0.489 259 C N 4.293 123.551 119.300 -0.071 0.000 2.138 259 C HA 0.237 4.696 4.460 -0.002 0.000 0.398 259 C C 1.074 176.081 174.990 0.028 0.000 1.029 259 C CA -0.935 58.055 59.018 -0.046 0.000 1.426 259 C CB -1.771 25.898 27.740 -0.118 0.000 1.652 259 C HN 0.714 nan 8.230 nan 0.000 0.486 260 N N 1.299 120.022 118.700 0.038 0.000 2.268 260 N HA 0.127 4.866 4.740 -0.002 0.000 0.204 260 N C 0.859 176.418 175.510 0.080 0.000 1.124 260 N CA -0.269 52.822 53.050 0.068 0.000 0.838 260 N CB -0.421 38.109 38.487 0.072 0.000 0.994 260 N HN 0.661 nan 8.380 nan 0.000 0.489 261 L N -2.757 118.504 121.223 0.064 0.000 4.988 261 L HA -0.349 3.990 4.340 -0.002 0.000 0.439 261 L C -0.483 176.418 176.870 0.053 0.000 1.080 261 L CA 1.320 56.196 54.840 0.059 0.000 1.018 261 L CB -1.762 40.353 42.059 0.094 0.000 1.945 261 L HN 0.427 nan 8.230 nan 0.000 0.782 262 Q N -0.244 119.589 119.800 0.055 0.000 2.348 262 Q HA 0.638 4.977 4.340 -0.002 0.000 0.271 262 Q C 0.275 176.302 176.000 0.044 0.000 1.067 262 Q CA -0.752 55.081 55.803 0.050 0.000 0.839 262 Q CB 2.392 31.166 28.738 0.061 0.000 1.354 262 Q HN 0.312 nan 8.270 nan 0.000 0.447 263 R N 0.098 120.619 120.500 0.035 0.000 2.893 263 R HA 0.350 4.689 4.340 -0.002 0.000 0.159 263 R C 0.668 176.981 176.300 0.021 0.000 1.366 263 R CA -0.711 55.405 56.100 0.026 0.000 0.929 263 R CB -0.477 29.832 30.300 0.015 0.000 1.796 263 R HN 0.403 nan 8.270 nan 0.000 0.464 264 L N 0.832 122.058 121.223 0.005 0.000 2.056 264 L HA 0.072 4.411 4.340 -0.002 0.000 0.202 264 L C 0.618 177.502 176.870 0.023 0.000 1.086 264 L CA 1.922 56.766 54.840 0.006 0.000 0.758 264 L CB -1.186 40.867 42.059 -0.010 0.000 0.912 264 L HN 0.594 nan 8.230 nan 0.000 0.446 265 D N 0.165 120.576 120.400 0.019 0.000 2.434 265 D HA 0.442 5.081 4.640 -0.002 0.000 0.232 265 D C 0.643 176.956 176.300 0.022 0.000 1.166 265 D CA 0.658 54.672 54.000 0.023 0.000 0.830 265 D CB 0.168 40.979 40.800 0.019 0.000 0.960 265 D HN 0.496 nan 8.370 nan 0.000 0.497 266 G N 0.196 109.010 108.800 0.024 0.000 2.350 266 G HA2 0.115 4.074 3.960 -0.002 0.000 0.276 266 G HA3 0.115 4.074 3.960 -0.002 0.000 0.276 266 G C -3.099 171.817 174.900 0.026 0.000 1.313 266 G CA -0.972 44.142 45.100 0.024 0.000 0.903 266 G HN -0.114 nan 8.290 nan 0.000 0.490 267 P HA 0.464 nan 4.420 nan 0.000 0.285 267 P C 1.121 178.434 177.300 0.022 0.000 1.269 267 P CA -0.314 62.803 63.100 0.028 0.000 0.844 267 P CB 2.117 33.835 31.700 0.029 0.000 1.094 268 V N 0.646 120.574 119.914 0.023 0.000 2.220 268 V HA -0.119 4.000 4.120 -0.002 0.000 0.246 268 V C 1.347 177.450 176.094 0.013 0.000 1.049 268 V CA 2.746 65.056 62.300 0.016 0.000 1.003 268 V CB -1.572 30.259 31.823 0.014 0.000 0.634 268 V HN 0.851 nan 8.190 nan 0.000 0.444 269 T N -2.658 111.906 114.554 0.016 0.000 3.103 269 T HA 0.519 4.868 4.350 -0.002 0.000 0.352 269 T C 0.745 175.454 174.700 0.016 0.000 1.048 269 T CA 0.110 62.217 62.100 0.013 0.000 1.175 269 T CB 0.916 69.790 68.868 0.010 0.000 1.029 269 T HN 0.331 nan 8.240 nan 0.000 0.498 270 G N 2.409 111.218 108.800 0.014 0.000 2.448 270 G HA2 -0.165 3.794 3.960 -0.002 0.000 0.219 270 G HA3 -0.165 3.794 3.960 -0.002 0.000 0.219 270 G C 1.304 176.209 174.900 0.009 0.000 1.127 270 G CA 0.274 45.382 45.100 0.013 0.000 0.766 270 G HN 0.616 nan 8.290 nan 0.000 0.552 271 N N 0.663 119.367 118.700 0.007 0.000 2.422 271 N HA 0.092 4.831 4.740 -0.002 0.000 0.181 271 N C 1.314 176.826 175.510 0.004 0.000 1.080 271 N CA 0.730 53.783 53.050 0.004 0.000 0.893 271 N CB 0.456 38.945 38.487 0.003 0.000 0.973 271 N HN 0.347 nan 8.380 nan 0.000 0.456 272 G N -0.041 108.764 108.800 0.008 0.000 3.008 272 G HA2 0.507 4.466 3.960 -0.002 0.000 0.181 272 G HA3 0.507 4.466 3.960 -0.002 0.000 0.181 272 G C -0.820 174.085 174.900 0.008 0.000 1.309 272 G CA -0.395 44.708 45.100 0.005 0.000 1.009 272 G HN -0.045 nan 8.290 nan 0.000 0.584 273 K N 0.242 120.644 120.400 0.003 0.000 2.664 273 K HA 0.252 4.571 4.320 -0.002 0.000 0.234 273 K C 0.321 176.934 176.600 0.021 0.000 0.980 273 K CA -0.585 55.705 56.287 0.006 0.000 0.996 273 K CB 2.052 34.524 32.500 -0.047 0.000 1.190 273 K HN 0.255 nan 8.250 nan 0.000 0.479 274 I N 2.705 123.287 120.570 0.019 0.000 2.335 274 I HA -0.242 3.927 4.170 -0.002 0.000 0.251 274 I C 1.480 177.594 176.117 -0.006 0.000 1.129 274 I CA 1.572 62.876 61.300 0.006 0.000 1.402 274 I CB 0.013 38.013 38.000 0.001 0.000 1.069 274 I HN 0.644 nan 8.210 nan 0.000 0.424 275 I N 0.212 120.779 120.570 -0.005 0.000 2.315 275 I HA -0.285 3.884 4.170 -0.002 0.000 0.248 275 I C 2.007 178.121 176.117 -0.005 0.000 1.117 275 I CA 1.062 62.332 61.300 -0.050 0.000 1.404 275 I CB -0.587 37.339 38.000 -0.124 0.000 1.071 275 I HN 0.278 nan 8.210 nan 0.000 0.419 276 N N 0.691 119.429 118.700 0.063 0.000 2.142 276 N HA -0.211 4.528 4.740 -0.002 0.000 0.186 276 N C 1.735 177.261 175.510 0.026 0.000 1.023 276 N CA 1.127 54.209 53.050 0.054 0.000 0.852 276 N CB -0.236 38.287 38.487 0.059 0.000 0.998 276 N HN 0.400 nan 8.380 nan 0.000 0.424 277 E N 0.668 120.879 120.200 0.020 0.000 2.058 277 E HA -0.145 4.204 4.350 -0.002 0.000 0.194 277 E C 1.837 178.456 176.600 0.032 0.000 0.997 277 E CA 0.862 57.272 56.400 0.017 0.000 0.801 277 E CB -0.098 29.609 29.700 0.011 0.000 0.746 277 E HN 0.274 nan 8.360 nan 0.000 0.450 278 L N 0.655 121.898 121.223 0.034 0.000 2.017 278 L HA -0.181 4.158 4.340 -0.002 0.000 0.208 278 L C 2.830 179.768 176.870 0.113 0.000 1.073 278 L CA 1.759 56.651 54.840 0.087 0.000 0.745 278 L CB -0.579 41.468 42.059 -0.022 0.000 0.894 278 L HN 0.306 nan 8.230 nan 0.000 0.432 279 E N 0.412 120.621 120.200 0.015 0.000 2.077 279 E HA -0.196 4.153 4.350 -0.002 0.000 0.193 279 E C 2.180 178.811 176.600 0.051 0.000 0.989 279 E CA 1.307 57.713 56.400 0.010 0.000 0.800 279 E CB -0.222 29.464 29.700 -0.023 0.000 0.746 279 E HN 0.418 nan 8.360 nan 0.000 0.452 280 G N 1.557 110.378 108.800 0.036 0.000 2.446 280 G HA2 -0.290 3.669 3.960 -0.002 0.000 0.217 280 G HA3 -0.290 3.669 3.960 -0.002 0.000 0.217 280 G C 1.625 176.531 174.900 0.010 0.000 1.168 280 G CA 0.921 46.035 45.100 0.022 0.000 0.771 280 G HN 0.411 nan 8.290 nan 0.000 0.551 281 I N -1.247 119.324 120.570 0.002 0.000 2.500 281 I HA 0.081 4.250 4.170 -0.002 0.000 0.252 281 I C 2.274 178.288 176.117 -0.172 0.000 1.142 281 I CA 0.592 61.839 61.300 -0.088 0.000 1.451 281 I CB 0.057 37.976 38.000 -0.136 0.000 1.093 281 I HN 0.144 nan 8.210 nan 0.000 0.430 282 F N 1.196 121.032 119.950 -0.190 0.000 2.163 282 F HA -0.177 4.349 4.527 -0.002 0.000 0.297 282 F C 2.480 178.224 175.800 -0.092 0.000 1.094 282 F CA 1.559 59.387 58.000 -0.287 0.000 1.290 282 F CB -0.355 38.424 39.000 -0.368 0.000 1.017 282 F HN 0.088 nan 8.300 nan 0.000 0.483 283 E N 0.306 120.583 120.200 0.128 0.000 2.077 283 E HA -0.110 4.239 4.350 -0.002 0.000 0.193 283 E C 2.465 179.097 176.600 0.055 0.000 0.989 283 E CA 1.540 57.997 56.400 0.094 0.000 0.800 283 E CB -0.911 28.823 29.700 0.055 0.000 0.746 283 E HN 0.248 nan 8.360 nan 0.000 0.452 284 G N -0.064 108.744 108.800 0.013 0.000 2.448 284 G HA2 -0.191 3.768 3.960 -0.002 0.000 0.219 284 G HA3 -0.191 3.768 3.960 -0.002 0.000 0.219 284 G C 1.475 176.368 174.900 -0.013 0.000 1.127 284 G CA 0.761 45.856 45.100 -0.010 0.000 0.766 284 G HN 0.422 nan 8.290 nan 0.000 0.552 285 A N -0.409 122.397 122.820 -0.023 0.000 2.238 285 A HA 0.480 4.799 4.320 -0.002 0.000 0.208 285 A C 1.980 179.654 177.584 0.151 0.000 1.177 285 A CA 1.207 53.247 52.037 0.006 0.000 0.804 285 A CB -0.430 18.486 19.000 -0.138 0.000 0.823 285 A HN 1.540 nan 8.150 nan 0.000 0.482 286 G N -2.686 106.196 108.800 0.137 0.000 2.157 286 G HA2 -0.262 3.697 3.960 -0.002 0.000 0.248 286 G HA3 -0.262 3.697 3.960 -0.002 0.000 0.248 286 G C -0.111 174.884 174.900 0.159 0.000 0.979 286 G CA 0.122 45.288 45.100 0.111 0.000 0.650 286 G HN 0.375 nan 8.290 nan 0.000 0.529 287 W N 0.610 121.887 121.300 -0.039 0.000 2.215 287 W HA 0.606 5.265 4.660 -0.001 0.000 0.342 287 W C 0.579 177.074 176.519 -0.040 0.000 1.237 287 W CA -0.599 56.728 57.345 -0.030 0.000 1.283 287 W CB 0.458 29.962 29.460 0.075 0.000 1.131 287 W HN 0.203 nan 8.180 nan 0.000 0.606 288 N N 1.108 119.892 118.700 0.140 0.000 2.414 288 N HA 0.299 5.038 4.740 -0.002 0.000 0.256 288 N C -1.603 173.938 175.510 0.051 0.000 1.029 288 N CA -0.125 52.949 53.050 0.040 0.000 0.948 288 N CB 0.644 39.102 38.487 -0.048 0.000 1.102 288 N HN 0.119 nan 8.380 nan 0.000 0.496 289 V N 5.406 125.331 119.914 0.019 0.000 2.370 289 V HA 0.402 4.521 4.120 -0.002 0.000 0.279 289 V C 0.292 176.324 176.094 -0.103 0.000 1.029 289 V CA -0.598 61.673 62.300 -0.048 0.000 0.870 289 V CB 0.686 32.486 31.823 -0.040 0.000 0.984 289 V HN 0.590 nan 8.190 nan 0.000 0.451 290 I N 5.131 125.604 120.570 -0.161 0.000 2.382 290 I HA 0.429 4.598 4.170 -0.002 0.000 0.286 290 I C -0.076 175.907 176.117 -0.224 0.000 1.002 290 I CA -0.616 60.576 61.300 -0.181 0.000 1.135 290 I CB 1.562 39.436 38.000 -0.210 0.000 1.288 290 I HN 0.475 nan 8.210 nan 0.000 0.448 291 K N 5.133 125.407 120.400 -0.211 0.000 2.211 291 K HA 0.483 4.803 4.320 -0.002 0.000 0.275 291 K C -0.712 175.724 176.600 -0.272 0.000 1.024 291 K CA -0.418 55.706 56.287 -0.272 0.000 0.887 291 K CB 1.920 34.245 32.500 -0.292 0.000 1.084 291 K HN 0.318 nan 8.250 nan 0.000 0.463 292 V N 5.959 125.692 119.914 -0.301 0.000 2.220 292 V HA 0.061 4.180 4.120 -0.002 0.000 0.265 292 V C 0.621 176.502 176.094 -0.356 0.000 1.078 292 V CA -0.355 61.790 62.300 -0.258 0.000 0.872 292 V CB 0.622 32.324 31.823 -0.201 0.000 1.121 292 V HN 0.842 nan 8.190 nan 0.000 0.460 293 M N 1.169 120.460 119.600 -0.516 0.000 2.216 293 M HA 0.182 4.661 4.480 -0.002 0.000 0.264 293 M C 0.307 175.970 176.300 -1.060 0.000 1.080 293 M CA 1.250 55.961 55.300 -0.981 0.000 1.153 293 M CB -0.214 31.558 32.600 -1.381 0.000 1.356 293 M HN 0.516 nan 8.290 nan 0.000 0.432 294 W N -0.475 120.716 121.300 -0.182 0.000 2.936 294 W HA 0.636 5.295 4.660 -0.001 0.000 0.338 294 W C 0.568 177.124 176.519 0.061 0.000 1.121 294 W CA -1.280 55.956 57.345 -0.181 0.000 1.209 294 W CB 0.517 29.606 29.460 -0.619 0.000 1.420 294 W HN 0.103 nan 8.180 nan 0.000 0.516 295 G N 0.242 109.349 108.800 0.512 0.000 2.683 295 G HA2 0.187 4.146 3.960 -0.002 0.000 0.260 295 G HA3 0.187 4.146 3.960 -0.002 0.000 0.260 295 G C 0.665 175.811 174.900 0.410 0.000 1.238 295 G CA -0.342 44.994 45.100 0.393 0.000 0.934 295 G HN 0.526 nan 8.290 nan 0.000 0.534 296 S N -0.652 115.208 115.700 0.267 0.000 2.419 296 S HA -0.105 4.364 4.470 -0.002 0.000 0.233 296 S C 2.337 177.081 174.600 0.241 0.000 1.016 296 S CA 0.878 59.211 58.200 0.222 0.000 0.974 296 S CB -0.160 63.124 63.200 0.139 0.000 0.786 296 S HN 0.544 nan 8.310 nan 0.000 0.492 297 R N -0.264 120.375 120.500 0.233 0.000 2.193 297 R HA -0.087 4.252 4.340 -0.002 0.000 0.229 297 R C 1.534 177.954 176.300 0.201 0.000 1.110 297 R CA 1.268 57.466 56.100 0.162 0.000 0.988 297 R CB -0.207 30.133 30.300 0.066 0.000 0.871 297 R HN 0.505 nan 8.270 nan 0.000 0.458 298 W N 0.768 122.186 121.300 0.196 0.000 2.584 298 W HA -0.014 4.645 4.660 -0.001 0.000 0.264 298 W C 1.434 178.035 176.519 0.137 0.000 1.264 298 W CA 0.134 57.567 57.345 0.147 0.000 1.306 298 W CB 0.010 29.518 29.460 0.080 0.000 1.110 298 W HN 0.011 nan 8.180 nan 0.000 0.606 299 D N 0.453 121.065 120.400 0.354 0.000 2.182 299 D HA -0.207 4.432 4.640 -0.002 0.000 0.201 299 D C 1.713 178.132 176.300 0.199 0.000 0.986 299 D CA 1.554 55.701 54.000 0.246 0.000 0.847 299 D CB -0.216 40.702 40.800 0.196 0.000 0.942 299 D HN 0.214 nan 8.370 nan 0.000 0.467 300 E N 0.286 120.607 120.200 0.202 0.000 2.112 300 E HA 0.010 4.359 4.350 -0.002 0.000 0.190 300 E C 2.317 179.022 176.600 0.175 0.000 0.979 300 E CA 0.190 56.693 56.400 0.172 0.000 0.814 300 E CB -0.195 29.610 29.700 0.175 0.000 0.762 300 E HN 0.211 nan 8.360 nan 0.000 0.460 301 L N -0.025 121.319 121.223 0.202 0.000 2.013 301 L HA -0.227 4.112 4.340 -0.002 0.000 0.212 301 L C 2.418 179.375 176.870 0.144 0.000 1.073 301 L CA 1.180 56.102 54.840 0.137 0.000 0.753 301 L CB -0.512 41.609 42.059 0.103 0.000 0.890 301 L HN 0.205 nan 8.230 nan 0.000 0.432 302 L N -0.230 121.105 121.223 0.186 0.000 2.093 302 L HA -0.153 4.186 4.340 -0.002 0.000 0.208 302 L C 2.411 179.349 176.870 0.114 0.000 1.085 302 L CA 0.990 55.922 54.840 0.154 0.000 0.755 302 L CB -0.362 41.799 42.059 0.169 0.000 0.904 302 L HN 0.340 nan 8.230 nan 0.000 0.435 303 R N 0.421 120.989 120.500 0.113 0.000 2.404 303 R HA -0.052 4.287 4.340 -0.002 0.000 0.236 303 R C 1.498 177.844 176.300 0.076 0.000 1.044 303 R CA 0.599 56.751 56.100 0.088 0.000 1.133 303 R CB -0.076 30.276 30.300 0.086 0.000 1.142 303 R HN 0.245 nan 8.270 nan 0.000 0.512 304 K N -0.083 120.364 120.400 0.077 0.000 2.548 304 K HA -0.026 4.293 4.320 -0.002 0.000 0.209 304 K C -0.062 176.568 176.600 0.049 0.000 1.420 304 K CA 0.183 56.508 56.287 0.063 0.000 0.985 304 K CB 0.436 32.980 32.500 0.073 0.000 1.249 304 K HN 0.144 nan 8.250 nan 0.000 0.557 305 D N 2.288 122.720 120.400 0.055 0.000 2.941 305 D HA -0.048 4.591 4.640 -0.002 0.000 0.236 305 D C 1.087 177.406 176.300 0.032 0.000 1.147 305 D CA 0.592 54.618 54.000 0.044 0.000 0.975 305 D CB 0.159 40.996 40.800 0.062 0.000 1.162 305 D HN 0.358 nan 8.370 nan 0.000 0.444 306 T N -2.710 111.860 114.554 0.026 0.000 2.755 306 T HA -0.368 3.981 4.350 -0.002 0.000 0.266 306 T C 1.924 176.628 174.700 0.006 0.000 1.041 306 T CA 1.865 63.976 62.100 0.018 0.000 1.147 306 T CB -0.763 68.114 68.868 0.015 0.000 0.847 306 T HN 0.260 nan 8.240 nan 0.000 0.478 307 S N 1.002 116.701 115.700 -0.003 0.000 2.447 307 S HA 0.278 4.747 4.470 -0.002 0.000 0.233 307 S C 2.133 176.715 174.600 -0.029 0.000 1.006 307 S CA 0.712 58.897 58.200 -0.024 0.000 0.957 307 S CB -1.091 62.085 63.200 -0.040 0.000 0.773 307 S HN 1.609 nan 8.310 nan 0.000 0.507 308 G N 1.265 110.059 108.800 -0.009 0.000 2.155 308 G HA2 -0.357 3.602 3.960 -0.002 0.000 0.257 308 G HA3 -0.357 3.602 3.960 -0.002 0.000 0.257 308 G C 0.678 175.563 174.900 -0.025 0.000 0.983 308 G CA 0.687 45.785 45.100 -0.003 0.000 0.676 308 G HN 0.584 nan 8.290 nan 0.000 0.528 309 K N -0.423 119.949 120.400 -0.046 0.000 2.116 309 K HA 0.266 4.585 4.320 -0.002 0.000 0.203 309 K C 2.362 178.958 176.600 -0.007 0.000 1.052 309 K CA 1.515 57.744 56.287 -0.097 0.000 0.952 309 K CB -0.219 32.202 32.500 -0.132 0.000 0.729 309 K HN 0.417 nan 8.250 nan 0.000 0.446 310 L N 0.684 121.925 121.223 0.031 0.000 1.994 310 L HA -0.124 4.215 4.340 -0.002 0.000 0.208 310 L C 1.754 178.661 176.870 0.062 0.000 1.071 310 L CA 1.586 56.457 54.840 0.052 0.000 0.745 310 L CB -0.526 41.596 42.059 0.105 0.000 0.892 310 L HN 0.163 nan 8.230 nan 0.000 0.431 311 I N -0.124 120.488 120.570 0.070 0.000 2.151 311 I HA -0.368 3.801 4.170 -0.002 0.000 0.243 311 I C 2.609 178.785 176.117 0.098 0.000 1.080 311 I CA 1.712 63.069 61.300 0.096 0.000 1.339 311 I CB -1.389 36.657 38.000 0.078 0.000 1.039 311 I HN 0.584 nan 8.210 nan 0.000 0.409 312 Q N 0.175 120.006 119.800 0.052 0.000 2.084 312 Q HA -0.241 4.098 4.340 -0.002 0.000 0.202 312 Q C 2.335 178.389 176.000 0.090 0.000 0.978 312 Q CA 1.587 57.415 55.803 0.043 0.000 0.844 312 Q CB -0.103 28.613 28.738 -0.038 0.000 0.898 312 Q HN 0.399 nan 8.270 nan 0.000 0.426 313 L N 0.324 121.603 121.223 0.094 0.000 2.017 313 L HA -0.172 4.167 4.340 -0.002 0.000 0.208 313 L C 2.150 179.083 176.870 0.105 0.000 1.073 313 L CA 1.814 56.683 54.840 0.049 0.000 0.745 313 L CB -0.440 41.504 42.059 -0.191 0.000 0.894 313 L HN 0.301 nan 8.230 nan 0.000 0.432 314 M N -0.470 119.252 119.600 0.203 0.000 2.108 314 M HA -0.216 4.263 4.480 -0.002 0.000 0.261 314 M C 1.930 178.426 176.300 0.327 0.000 1.066 314 M CA 1.749 57.317 55.300 0.447 0.000 1.107 314 M CB -0.587 32.274 32.600 0.434 0.000 1.356 314 M HN 0.336 nan 8.290 nan 0.000 0.406 315 N N 0.651 119.471 118.700 0.200 0.000 2.166 315 N HA -0.163 4.576 4.740 -0.002 0.000 0.186 315 N C 1.451 176.972 175.510 0.019 0.000 1.019 315 N CA 1.553 54.657 53.050 0.091 0.000 0.856 315 N CB -0.371 38.174 38.487 0.097 0.000 0.993 315 N HN 0.604 nan 8.380 nan 0.000 0.426 316 E N -0.363 119.871 120.200 0.056 0.000 2.299 316 E HA 0.010 4.359 4.350 -0.002 0.000 0.193 316 E C -0.085 176.525 176.600 0.015 0.000 0.998 316 E CA 0.379 56.799 56.400 0.034 0.000 0.851 316 E CB -0.306 29.429 29.700 0.059 0.000 0.795 316 E HN -0.032 nan 8.360 nan 0.000 0.492 317 T N 2.216 116.786 114.554 0.026 0.000 2.870 317 T HA 0.246 4.595 4.350 -0.002 0.000 0.300 317 T C 0.061 174.735 174.700 -0.042 0.000 0.989 317 T CA -0.415 61.648 62.100 -0.062 0.000 1.139 317 T CB 1.787 70.501 68.868 -0.258 0.000 0.920 317 T HN -0.077 nan 8.240 nan 0.000 0.537 318 V N 3.087 122.974 119.914 -0.046 0.000 2.997 318 V HA 0.136 4.255 4.120 -0.002 0.000 0.311 318 V C 1.297 177.460 176.094 0.114 0.000 1.066 318 V CA -0.588 61.725 62.300 0.023 0.000 1.039 318 V CB 1.434 33.255 31.823 -0.003 0.000 1.081 318 V HN 0.826 nan 8.190 nan 0.000 0.467 319 D N 2.722 123.205 120.400 0.138 0.000 2.127 319 D HA -0.186 4.453 4.640 -0.002 0.000 0.190 319 D C 2.066 178.425 176.300 0.098 0.000 1.000 319 D CA 2.018 56.119 54.000 0.168 0.000 0.839 319 D CB -0.598 40.257 40.800 0.091 0.000 0.955 319 D HN 0.778 nan 8.370 nan 0.000 0.446 320 G N 1.037 109.848 108.800 0.019 0.000 2.513 320 G HA2 -0.302 3.657 3.960 -0.002 0.000 0.219 320 G HA3 -0.302 3.657 3.960 -0.002 0.000 0.219 320 G C 1.347 176.164 174.900 -0.137 0.000 1.160 320 G CA 1.295 46.374 45.100 -0.035 0.000 0.767 320 G HN 0.196 nan 8.290 nan 0.000 0.571 321 D N -0.140 120.122 120.400 -0.229 0.000 2.097 321 D HA -0.100 4.539 4.640 -0.002 0.000 0.195 321 D C 2.201 177.903 176.300 -0.995 0.000 0.989 321 D CA 0.874 54.510 54.000 -0.608 0.000 0.827 321 D CB -0.374 40.127 40.800 -0.498 0.000 0.966 321 D HN 0.366 nan 8.370 nan 0.000 0.456 322 Y N 1.476 121.545 120.300 -0.386 0.000 2.241 322 Y HA -0.179 4.371 4.550 -0.002 0.000 0.286 322 Y C 2.585 178.439 175.900 -0.076 0.000 1.166 322 Y CA 1.023 59.089 58.100 -0.056 0.000 1.203 322 Y CB -0.203 38.379 38.460 0.204 0.000 0.977 322 Y HN -0.016 nan 8.280 nan 0.000 0.529 323 Q N -0.932 118.892 119.800 0.040 0.000 2.172 323 Q HA -0.108 4.231 4.340 -0.002 0.000 0.200 323 Q C 2.267 178.236 176.000 -0.052 0.000 0.964 323 Q CA 1.614 57.437 55.803 0.032 0.000 0.855 323 Q CB -0.748 28.006 28.738 0.027 0.000 0.918 323 Q HN 0.420 nan 8.270 nan 0.000 0.444 324 T N 1.199 115.614 114.554 -0.231 0.000 2.746 324 T HA -0.098 4.251 4.350 -0.002 0.000 0.267 324 T C 1.469 176.077 174.700 -0.153 0.000 1.039 324 T CA 1.022 62.970 62.100 -0.254 0.000 1.142 324 T CB -0.247 68.401 68.868 -0.368 0.000 0.866 324 T HN 0.133 nan 8.240 nan 0.000 0.444 325 F N 1.793 121.756 119.950 0.021 0.000 2.161 325 F HA 0.028 4.554 4.527 -0.002 0.000 0.300 325 F C 2.242 178.132 175.800 0.151 0.000 1.089 325 F CA 0.313 58.353 58.000 0.067 0.000 1.282 325 F CB -0.969 38.095 39.000 0.108 0.000 1.010 325 F HN 0.115 nan 8.300 nan 0.000 0.485 326 K N 0.842 121.404 120.400 0.271 0.000 2.032 326 K HA -0.286 4.033 4.320 -0.002 0.000 0.218 326 K C 2.314 179.124 176.600 0.350 0.000 1.054 326 K CA 2.625 59.037 56.287 0.208 0.000 0.941 326 K CB -0.328 32.253 32.500 0.135 0.000 0.720 326 K HN 0.377 nan 8.250 nan 0.000 0.449 327 S N 0.613 116.443 115.700 0.216 0.000 2.368 327 S HA -0.093 4.376 4.470 -0.002 0.000 0.224 327 S C 1.339 176.008 174.600 0.116 0.000 1.029 327 S CA 0.535 58.832 58.200 0.161 0.000 0.988 327 S CB -0.230 62.988 63.200 0.030 0.000 0.838 327 S HN 0.168 nan 8.310 nan 0.000 0.462 328 K N 2.544 122.947 120.400 0.006 0.000 2.412 328 K HA 0.143 4.462 4.320 -0.002 0.000 0.245 328 K C 0.650 177.065 176.600 -0.308 0.000 1.054 328 K CA 1.025 57.209 56.287 -0.172 0.000 1.116 328 K CB -0.590 31.605 32.500 -0.508 0.000 1.437 328 K HN 0.717 nan 8.250 nan 0.000 0.542 329 D N -3.651 116.565 120.400 -0.308 0.000 2.779 329 D HA 0.120 4.759 4.640 -0.002 0.000 0.331 329 D C 1.101 177.356 176.300 -0.076 0.000 1.331 329 D CA -0.070 53.379 54.000 -0.918 0.000 0.866 329 D CB 0.152 40.542 40.800 -0.683 0.000 1.409 329 D HN 0.315 nan 8.370 nan 0.000 0.486 330 G N 0.313 109.102 108.800 -0.017 0.000 2.491 330 G HA2 -0.224 3.735 3.960 -0.002 0.000 0.218 330 G HA3 -0.224 3.735 3.960 -0.002 0.000 0.218 330 G C 1.472 176.514 174.900 0.236 0.000 1.180 330 G CA 2.698 47.984 45.100 0.309 0.000 0.774 330 G HN 0.732 nan 8.290 nan 0.000 0.562 331 A N 0.222 123.119 122.820 0.128 0.000 1.849 331 A HA -0.188 4.131 4.320 -0.002 0.000 0.217 331 A C 2.269 179.985 177.584 0.221 0.000 1.202 331 A CA 2.008 54.128 52.037 0.138 0.000 0.629 331 A CB -1.109 17.942 19.000 0.084 0.000 0.834 331 A HN 0.519 nan 8.150 nan 0.000 0.447 332 Y N 0.253 120.615 120.300 0.104 0.000 2.365 332 Y HA -0.159 4.390 4.550 -0.002 0.000 0.287 332 Y C 2.251 178.275 175.900 0.206 0.000 1.162 332 Y CA 1.490 59.675 58.100 0.142 0.000 1.260 332 Y CB -0.180 38.313 38.460 0.055 0.000 0.976 332 Y HN 0.061 nan 8.280 nan 0.000 0.548 333 V N 0.836 121.021 119.914 0.451 0.000 2.374 333 V HA -0.219 3.900 4.120 -0.002 0.000 0.241 333 V C 2.352 178.662 176.094 0.361 0.000 1.034 333 V CA 1.850 64.363 62.300 0.356 0.000 1.037 333 V CB -0.467 31.594 31.823 0.397 0.000 0.682 333 V HN 0.433 nan 8.190 nan 0.000 0.463 334 R N 0.554 121.275 120.500 0.368 0.000 2.249 334 R HA -0.164 4.175 4.340 -0.002 0.000 0.230 334 R C 1.907 178.321 176.300 0.190 0.000 1.121 334 R CA 1.946 58.230 56.100 0.308 0.000 0.997 334 R CB -0.251 30.143 30.300 0.156 0.000 0.867 334 R HN 0.494 nan 8.270 nan 0.000 0.465 335 E N -0.191 120.101 120.200 0.153 0.000 2.290 335 E HA -0.030 4.319 4.350 -0.002 0.000 0.199 335 E C 0.914 177.472 176.600 -0.069 0.000 0.912 335 E CA 0.456 56.877 56.400 0.036 0.000 0.924 335 E CB 0.244 29.965 29.700 0.035 0.000 0.901 335 E HN 0.501 nan 8.360 nan 0.000 0.487 336 H N -1.463 117.551 119.070 -0.094 0.000 2.520 336 H HA 0.120 4.675 4.556 -0.002 0.000 0.279 336 H C 1.077 176.344 175.328 -0.103 0.000 0.990 336 H CA 0.863 56.850 56.048 -0.102 0.000 1.288 336 H CB 0.309 30.026 29.762 -0.075 0.000 1.446 336 H HN 0.103 nan 8.280 nan 0.000 0.538 337 F N -0.866 118.927 119.950 -0.261 0.000 2.389 337 F HA 0.087 4.613 4.527 -0.002 0.000 0.275 337 F C 1.302 176.898 175.800 -0.341 0.000 1.009 337 F CA 0.418 58.126 58.000 -0.487 0.000 1.187 337 F CB -0.557 37.921 39.000 -0.870 0.000 1.139 337 F HN -0.058 nan 8.300 nan 0.000 0.613 338 F N 0.979 120.833 119.950 -0.160 0.000 2.365 338 F HA 0.106 4.632 4.527 -0.002 0.000 0.300 338 F C 2.256 177.922 175.800 -0.224 0.000 1.090 338 F CA 1.095 58.950 58.000 -0.242 0.000 1.408 338 F CB -1.040 37.904 39.000 -0.094 0.000 1.060 338 F HN 0.118 nan 8.300 nan 0.000 0.534 339 G N -0.680 108.105 108.800 -0.025 0.000 3.639 339 G HA2 0.062 4.021 3.960 -0.002 0.000 0.279 339 G HA3 0.062 4.021 3.960 -0.002 0.000 0.279 339 G C 1.250 176.018 174.900 -0.221 0.000 1.312 339 G CA -0.103 44.941 45.100 -0.092 0.000 1.355 339 G HN 0.135 nan 8.290 nan 0.000 0.595 340 K N -0.528 119.659 120.400 -0.354 0.000 2.313 340 K HA 0.291 4.610 4.320 -0.002 0.000 0.197 340 K C -0.440 175.699 176.600 -0.769 0.000 1.061 340 K CA 0.430 56.336 56.287 -0.634 0.000 0.980 340 K CB 0.280 32.242 32.500 -0.897 0.000 0.888 340 K HN 0.289 nan 8.250 nan 0.000 0.502 341 Y N -1.513 118.724 120.300 -0.105 0.000 2.581 341 Y HA 0.315 4.864 4.550 -0.002 0.000 0.345 341 Y C -2.113 173.753 175.900 -0.057 0.000 1.036 341 Y CA -2.726 55.328 58.100 -0.076 0.000 1.042 341 Y CB 1.571 39.983 38.460 -0.080 0.000 1.289 341 Y HN -0.195 nan 8.280 nan 0.000 0.471 342 P HA 0.033 nan 4.420 nan 0.000 0.227 342 P C 0.422 177.749 177.300 0.043 0.000 1.161 342 P CA 1.097 64.231 63.100 0.056 0.000 0.788 342 P CB 0.542 32.267 31.700 0.040 0.000 0.822 343 E N -1.156 119.079 120.200 0.058 0.000 2.230 343 E HA -0.076 4.273 4.350 -0.002 0.000 0.192 343 E C 1.752 178.373 176.600 0.035 0.000 0.987 343 E CA 1.524 57.940 56.400 0.027 0.000 0.841 343 E CB -0.671 29.029 29.700 -0.000 0.000 0.783 343 E HN 0.346 nan 8.360 nan 0.000 0.481 344 T N -2.136 112.463 114.554 0.076 0.000 3.010 344 T HA 0.225 4.574 4.350 -0.002 0.000 0.252 344 T C 2.067 176.802 174.700 0.057 0.000 1.047 344 T CA 0.404 62.557 62.100 0.088 0.000 1.140 344 T CB -0.033 68.900 68.868 0.108 0.000 0.885 344 T HN 0.101 nan 8.240 nan 0.000 0.464 345 A N 1.572 124.412 122.820 0.034 0.000 2.067 345 A HA 0.483 4.802 4.320 -0.002 0.000 0.219 345 A C 2.555 180.104 177.584 -0.059 0.000 1.158 345 A CA 1.356 53.390 52.037 -0.005 0.000 0.661 345 A CB -1.035 17.962 19.000 -0.005 0.000 0.801 345 A HN 0.703 nan 8.150 nan 0.000 0.452 346 A N -0.725 122.070 122.820 -0.042 0.000 2.123 346 A HA 0.265 4.584 4.320 -0.002 0.000 0.214 346 A C 1.916 179.445 177.584 -0.092 0.000 1.152 346 A CA 0.757 52.765 52.037 -0.048 0.000 0.728 346 A CB -0.365 18.624 19.000 -0.018 0.000 0.814 346 A HN 0.447 nan 8.150 nan 0.000 0.464 347 L N -0.589 120.539 121.223 -0.159 0.000 2.179 347 L HA -0.043 4.296 4.340 -0.002 0.000 0.208 347 L C 2.003 178.545 176.870 -0.546 0.000 1.096 347 L CA 1.183 55.867 54.840 -0.261 0.000 0.779 347 L CB 0.033 41.944 42.059 -0.245 0.000 0.922 347 L HN 0.388 nan 8.230 nan 0.000 0.443 348 V N -5.151 114.382 119.914 -0.635 0.000 3.477 348 V HA 0.402 4.521 4.120 -0.002 0.000 0.297 348 V C 1.997 177.951 176.094 -0.233 0.000 1.433 348 V CA 0.415 62.264 62.300 -0.752 0.000 1.052 348 V CB 0.047 31.172 31.823 -1.162 0.000 0.895 348 V HN 0.126 nan 8.190 nan 0.000 0.438 349 A N 2.310 125.045 122.820 -0.142 0.000 2.076 349 A HA -0.180 4.139 4.320 -0.002 0.000 0.220 349 A C 1.456 179.051 177.584 0.019 0.000 1.160 349 A CA 1.977 53.988 52.037 -0.043 0.000 0.653 349 A CB -0.672 18.310 19.000 -0.029 0.000 0.801 349 A HN 0.950 nan 8.150 nan 0.000 0.455 350 D N -4.031 116.412 120.400 0.071 0.000 2.891 350 D HA 0.341 4.980 4.640 -0.002 0.000 0.312 350 D C -0.715 175.727 176.300 0.236 0.000 1.354 350 D CA -0.489 53.582 54.000 0.118 0.000 0.838 350 D CB -0.075 40.781 40.800 0.093 0.000 1.117 350 D HN 0.313 nan 8.370 nan 0.000 0.473 351 W N 1.626 122.869 121.300 -0.096 0.000 2.656 351 W HA 0.386 5.045 4.660 -0.002 0.000 0.327 351 W C 0.226 176.699 176.519 -0.076 0.000 1.041 351 W CA -1.230 56.051 57.345 -0.106 0.000 1.229 351 W CB 1.791 31.143 29.460 -0.179 0.000 1.397 351 W HN -0.015 nan 8.180 nan 0.000 0.479 352 T N -0.213 114.395 114.554 0.089 0.000 2.903 352 T HA -0.011 4.338 4.350 -0.002 0.000 0.314 352 T C 1.001 175.774 174.700 0.122 0.000 1.078 352 T CA 0.157 62.294 62.100 0.062 0.000 1.114 352 T CB 1.005 69.873 68.868 -0.001 0.000 0.987 352 T HN 0.473 nan 8.240 nan 0.000 0.548 353 D N 1.833 122.295 120.400 0.103 0.000 2.087 353 D HA -0.117 4.522 4.640 -0.002 0.000 0.192 353 D C 1.936 178.341 176.300 0.174 0.000 0.993 353 D CA 1.700 55.780 54.000 0.134 0.000 0.828 353 D CB -0.212 40.641 40.800 0.088 0.000 0.968 353 D HN 0.796 nan 8.370 nan 0.000 0.448 354 E N 0.717 120.990 120.200 0.123 0.000 2.284 354 E HA -0.206 4.143 4.350 -0.002 0.000 0.200 354 E C 2.057 178.762 176.600 0.175 0.000 1.008 354 E CA 0.926 57.416 56.400 0.150 0.000 0.829 354 E CB -0.166 29.581 29.700 0.078 0.000 0.744 354 E HN 0.447 nan 8.360 nan 0.000 0.491 355 Q N -0.493 119.387 119.800 0.133 0.000 2.212 355 Q HA 0.033 4.372 4.340 -0.002 0.000 0.199 355 Q C 2.129 178.299 176.000 0.282 0.000 0.950 355 Q CA 0.572 56.430 55.803 0.092 0.000 0.863 355 Q CB 0.090 28.755 28.738 -0.122 0.000 0.944 355 Q HN 0.353 nan 8.270 nan 0.000 0.465 356 I N 0.040 120.824 120.570 0.356 0.000 2.142 356 I HA -0.278 3.892 4.170 -0.002 0.000 0.240 356 I C 2.111 178.410 176.117 0.303 0.000 1.078 356 I CA 1.136 62.622 61.300 0.310 0.000 1.343 356 I CB -0.334 37.833 38.000 0.279 0.000 1.046 356 I HN 0.488 nan 8.210 nan 0.000 0.405 357 W N 1.556 122.933 121.300 0.128 0.000 2.424 357 W HA -0.185 4.474 4.660 -0.001 0.000 0.264 357 W C 2.163 178.744 176.519 0.103 0.000 1.229 357 W CA 1.099 58.511 57.345 0.113 0.000 1.208 357 W CB 0.188 29.701 29.460 0.090 0.000 1.127 357 W HN 0.157 nan 8.180 nan 0.000 0.588 358 A N 0.198 123.091 122.820 0.120 0.000 2.169 358 A HA 0.061 4.381 4.320 -0.002 0.000 0.212 358 A C 0.930 178.510 177.584 -0.008 0.000 1.153 358 A CA 0.131 52.186 52.037 0.031 0.000 0.756 358 A CB -0.665 18.368 19.000 0.055 0.000 0.813 358 A HN 0.134 nan 8.150 nan 0.000 0.471 359 L N 1.740 122.938 121.223 -0.042 0.000 2.562 359 L HA 0.053 4.393 4.340 -0.002 0.000 0.271 359 L C 0.219 177.181 176.870 0.153 0.000 1.167 359 L CA -0.236 54.537 54.840 -0.112 0.000 0.917 359 L CB -0.091 41.672 42.059 -0.493 0.000 1.187 359 L HN 0.298 nan 8.230 nan 0.000 0.482 360 N N 3.284 122.179 118.700 0.326 0.000 2.471 360 N HA 0.438 5.177 4.740 -0.002 0.000 0.288 360 N C -0.557 175.255 175.510 0.504 0.000 1.220 360 N CA -0.713 52.529 53.050 0.321 0.000 0.893 360 N CB 1.448 40.052 38.487 0.196 0.000 1.256 360 N HN 0.376 nan 8.380 nan 0.000 0.534 361 R N -0.586 120.064 120.500 0.249 0.000 2.459 361 R HA 0.310 4.649 4.340 -0.002 0.000 0.281 361 R C 1.300 177.620 176.300 0.033 0.000 1.050 361 R CA -0.291 55.828 56.100 0.031 0.000 1.055 361 R CB 0.410 30.465 30.300 -0.409 0.000 1.045 361 R HN 0.735 nan 8.270 nan 0.000 0.495 362 G N 1.361 110.116 108.800 -0.075 0.000 2.475 362 G HA2 -0.263 3.696 3.960 -0.002 0.000 0.220 362 G HA3 -0.263 3.696 3.960 -0.002 0.000 0.220 362 G C 1.263 176.105 174.900 -0.097 0.000 1.125 362 G CA 0.864 45.933 45.100 -0.052 0.000 0.755 362 G HN 0.752 nan 8.290 nan 0.000 0.565 363 G N -1.130 107.543 108.800 -0.210 0.000 2.625 363 G HA2 -0.053 3.906 3.960 -0.002 0.000 0.214 363 G HA3 -0.053 3.906 3.960 -0.002 0.000 0.214 363 G C 1.208 175.825 174.900 -0.471 0.000 1.132 363 G CA 0.436 45.346 45.100 -0.318 0.000 0.782 363 G HN 0.574 nan 8.290 nan 0.000 0.538 364 H N -0.700 118.280 119.070 -0.150 0.000 2.672 364 H HA 0.131 4.687 4.556 -0.001 0.000 0.277 364 H C -0.521 174.769 175.328 -0.063 0.000 1.074 364 H CA -0.248 55.688 56.048 -0.186 0.000 1.173 364 H CB 1.104 30.659 29.762 -0.345 0.000 1.558 364 H HN 0.244 nan 8.280 nan 0.000 0.539 365 D N 1.361 121.788 120.400 0.045 0.000 2.414 365 D HA 0.148 4.787 4.640 -0.002 0.000 0.232 365 D C -1.941 174.373 176.300 0.024 0.000 1.070 365 D CA -2.133 51.899 54.000 0.053 0.000 0.839 365 D CB 2.424 43.277 40.800 0.088 0.000 1.079 365 D HN -0.025 nan 8.370 nan 0.000 0.521 366 P HA -0.156 nan 4.420 nan 0.000 0.216 366 P C 1.117 178.392 177.300 -0.041 0.000 1.153 366 P CA 1.362 64.418 63.100 -0.074 0.000 0.858 366 P CB 0.437 31.942 31.700 -0.326 0.000 0.789 367 K N -0.391 119.939 120.400 -0.116 0.000 2.026 367 K HA -0.126 4.193 4.320 -0.002 0.000 0.208 367 K C 1.949 178.671 176.600 0.202 0.000 1.048 367 K CA 1.181 57.506 56.287 0.063 0.000 0.929 367 K CB -0.290 32.226 32.500 0.027 0.000 0.713 367 K HN 0.051 nan 8.250 nan 0.000 0.439 368 K N 0.992 121.472 120.400 0.132 0.000 2.097 368 K HA -0.066 4.253 4.320 -0.002 0.000 0.206 368 K C 2.103 178.777 176.600 0.123 0.000 1.049 368 K CA 1.141 57.497 56.287 0.114 0.000 0.933 368 K CB -0.332 32.209 32.500 0.068 0.000 0.717 368 K HN 0.213 nan 8.250 nan 0.000 0.442 369 I N -0.203 120.463 120.570 0.161 0.000 2.202 369 I HA -0.283 3.886 4.170 -0.002 0.000 0.242 369 I C 2.411 178.741 176.117 0.355 0.000 1.091 369 I CA 1.032 62.464 61.300 0.219 0.000 1.368 369 I CB -0.364 37.774 38.000 0.230 0.000 1.058 369 I HN 0.020 nan 8.210 nan 0.000 0.410 370 Y N 1.901 122.402 120.300 0.334 0.000 2.128 370 Y HA -0.340 4.209 4.550 -0.001 0.000 0.284 370 Y C 2.537 178.632 175.900 0.324 0.000 1.154 370 Y CA 1.619 59.977 58.100 0.430 0.000 1.149 370 Y CB -0.408 38.345 38.460 0.490 0.000 0.976 370 Y HN 0.127 nan 8.280 nan 0.000 0.505 371 A N 0.509 123.491 122.820 0.271 0.000 1.940 371 A HA -0.170 4.149 4.320 -0.002 0.000 0.219 371 A C 2.422 179.985 177.584 -0.036 0.000 1.176 371 A CA 2.090 54.194 52.037 0.113 0.000 0.631 371 A CB -1.542 17.552 19.000 0.156 0.000 0.814 371 A HN 0.652 nan 8.150 nan 0.000 0.446 372 A N -1.157 121.624 122.820 -0.066 0.000 1.873 372 A HA 0.015 4.334 4.320 -0.002 0.000 0.215 372 A C 1.982 179.362 177.584 -0.341 0.000 1.186 372 A CA 1.489 53.395 52.037 -0.219 0.000 0.616 372 A CB -0.767 18.048 19.000 -0.309 0.000 0.823 372 A HN 0.472 nan 8.150 nan 0.000 0.442 373 F N 0.013 119.739 119.950 -0.373 0.000 2.186 373 F HA -0.104 4.422 4.527 -0.002 0.000 0.299 373 F C 2.301 177.759 175.800 -0.570 0.000 1.090 373 F CA 1.724 59.333 58.000 -0.651 0.000 1.307 373 F CB -0.058 38.178 39.000 -1.274 0.000 1.019 373 F HN 0.144 nan 8.300 nan 0.000 0.489 374 K N 1.113 121.387 120.400 -0.210 0.000 2.057 374 K HA -0.168 4.151 4.320 -0.002 0.000 0.207 374 K C 2.044 178.628 176.600 -0.026 0.000 1.049 374 K CA 1.425 57.700 56.287 -0.020 0.000 0.931 374 K CB -0.348 32.026 32.500 -0.211 0.000 0.714 374 K HN -0.081 nan 8.250 nan 0.000 0.440 375 K N 0.059 120.411 120.400 -0.080 0.000 2.057 375 K HA -0.043 4.276 4.320 -0.002 0.000 0.207 375 K C 1.916 178.463 176.600 -0.089 0.000 1.049 375 K CA 1.276 57.522 56.287 -0.069 0.000 0.931 375 K CB -0.282 32.168 32.500 -0.083 0.000 0.714 375 K HN 0.214 nan 8.250 nan 0.000 0.440 376 A N 1.238 123.973 122.820 -0.141 0.000 1.908 376 A HA -0.237 4.082 4.320 -0.002 0.000 0.218 376 A C 2.127 179.661 177.584 -0.083 0.000 1.181 376 A CA 1.795 53.744 52.037 -0.147 0.000 0.627 376 A CB -0.629 18.244 19.000 -0.211 0.000 0.818 376 A HN 0.526 nan 8.150 nan 0.000 0.445 377 Q N -0.595 119.193 119.800 -0.021 0.000 2.181 377 Q HA -0.227 4.112 4.340 -0.002 0.000 0.205 377 Q C 1.803 177.816 176.000 0.022 0.000 0.980 377 Q CA 1.875 57.709 55.803 0.051 0.000 0.862 377 Q CB -0.087 28.767 28.738 0.194 0.000 0.905 377 Q HN 0.816 nan 8.270 nan 0.000 0.429 378 E N -0.449 119.754 120.200 0.006 0.000 2.170 378 E HA -0.006 4.343 4.350 -0.002 0.000 0.191 378 E C 0.104 176.686 176.600 -0.031 0.000 0.981 378 E CA 0.458 56.856 56.400 -0.003 0.000 0.830 378 E CB 0.260 29.962 29.700 0.003 0.000 0.775 378 E HN 0.168 nan 8.360 nan 0.000 0.470 379 T N 2.409 116.930 114.554 -0.054 0.000 2.934 379 T HA 0.060 4.409 4.350 -0.002 0.000 0.306 379 T C 0.117 174.765 174.700 -0.087 0.000 1.042 379 T CA 0.379 62.434 62.100 -0.075 0.000 1.145 379 T CB 0.523 69.331 68.868 -0.100 0.000 0.982 379 T HN -0.110 nan 8.240 nan 0.000 0.544 380 K N 1.103 121.453 120.400 -0.082 0.000 2.395 380 K HA 0.602 4.921 4.320 -0.002 0.000 0.247 380 K C 1.118 177.658 176.600 -0.100 0.000 0.973 380 K CA -0.394 55.842 56.287 -0.086 0.000 0.828 380 K CB 1.875 34.339 32.500 -0.060 0.000 1.272 380 K HN 0.750 nan 8.250 nan 0.000 0.439 381 G N 1.115 109.849 108.800 -0.110 0.000 2.268 381 G HA2 -0.287 3.672 3.960 -0.002 0.000 0.240 381 G HA3 -0.287 3.672 3.960 -0.002 0.000 0.240 381 G C -0.089 174.714 174.900 -0.163 0.000 1.010 381 G CA 0.974 46.004 45.100 -0.116 0.000 0.618 381 G HN 0.616 nan 8.290 nan 0.000 0.516 382 K N -0.878 119.395 120.400 -0.211 0.000 2.578 382 K HA 0.805 5.124 4.320 -0.002 0.000 0.287 382 K C -0.271 176.068 176.600 -0.435 0.000 1.010 382 K CA -0.429 55.669 56.287 -0.316 0.000 0.889 382 K CB 1.106 33.453 32.500 -0.256 0.000 1.514 382 K HN 1.189 nan 8.250 nan 0.000 0.424 383 A N 0.805 123.173 122.820 -0.754 0.000 2.304 383 A HA 0.565 4.884 4.320 -0.002 0.000 0.271 383 A C -0.528 176.673 177.584 -0.638 0.000 1.091 383 A CA -0.238 51.223 52.037 -0.961 0.000 0.812 383 A CB 0.655 18.485 19.000 -1.950 0.000 1.056 383 A HN 0.594 nan 8.150 nan 0.000 0.489 384 T N 0.465 114.794 114.554 -0.375 0.000 2.829 384 T HA 0.508 4.858 4.350 -0.002 0.000 0.280 384 T C -0.980 173.792 174.700 0.119 0.000 0.999 384 T CA -0.320 61.730 62.100 -0.084 0.000 0.983 384 T CB 1.399 70.173 68.868 -0.157 0.000 0.968 384 T HN 0.905 nan 8.240 nan 0.000 0.446 385 V N 5.131 125.117 119.914 0.120 0.000 2.487 385 V HA 0.618 4.737 4.120 -0.002 0.000 0.298 385 V C -1.022 174.919 176.094 -0.255 0.000 1.028 385 V CA -0.891 61.359 62.300 -0.082 0.000 0.860 385 V CB 0.920 32.450 31.823 -0.488 0.000 0.991 385 V HN 0.837 nan 8.190 nan 0.000 0.427 386 I N 7.604 127.978 120.570 -0.326 0.000 2.312 386 I HA 0.372 4.541 4.170 -0.002 0.000 0.290 386 I C -0.433 175.464 176.117 -0.367 0.000 1.008 386 I CA -0.446 60.617 61.300 -0.396 0.000 1.226 386 I CB 1.491 39.138 38.000 -0.588 0.000 1.371 386 I HN 0.408 nan 8.210 nan 0.000 0.468 387 L N 6.971 127.991 121.223 -0.337 0.000 2.287 387 L HA 0.511 4.850 4.340 -0.002 0.000 0.280 387 L C 0.406 177.099 176.870 -0.295 0.000 1.055 387 L CA -0.450 54.202 54.840 -0.314 0.000 0.863 387 L CB 0.862 42.733 42.059 -0.313 0.000 1.245 387 L HN 0.627 nan 8.230 nan 0.000 0.432 388 A N 2.773 125.440 122.820 -0.254 0.000 2.269 388 A HA 0.226 4.545 4.320 -0.002 0.000 0.302 388 A C -0.319 177.160 177.584 -0.175 0.000 1.266 388 A CA -0.344 51.562 52.037 -0.219 0.000 0.894 388 A CB -0.112 18.777 19.000 -0.185 0.000 1.147 388 A HN 0.777 nan 8.150 nan 0.000 0.537 389 H N 2.984 121.842 119.070 -0.354 0.000 2.800 389 H HA 0.374 4.929 4.556 -0.002 0.000 0.291 389 H C 0.394 175.542 175.328 -0.300 0.000 1.076 389 H CA 0.606 56.429 56.048 -0.375 0.000 1.452 389 H CB 0.510 29.921 29.762 -0.586 0.000 1.461 389 H HN 0.802 nan 8.280 nan 0.000 0.488 390 T N 2.173 116.619 114.554 -0.179 0.000 2.831 390 T HA 0.460 4.809 4.350 -0.002 0.000 0.287 390 T C -0.228 174.484 174.700 0.020 0.000 1.070 390 T CA -0.999 60.983 62.100 -0.196 0.000 1.010 390 T CB 1.592 70.297 68.868 -0.271 0.000 1.264 390 T HN 0.403 nan 8.240 nan 0.000 0.532 391 I N 1.318 122.088 120.570 0.333 0.000 2.354 391 I HA 0.372 4.541 4.170 -0.002 0.000 0.286 391 I C 0.277 176.532 176.117 0.229 0.000 1.007 391 I CA -0.877 60.546 61.300 0.205 0.000 1.167 391 I CB 1.523 39.623 38.000 0.166 0.000 1.320 391 I HN 0.635 nan 8.210 nan 0.000 0.458 392 K N 5.258 125.757 120.400 0.164 0.000 2.412 392 K HA 0.261 4.581 4.320 -0.002 0.000 0.281 392 K C 0.995 177.706 176.600 0.186 0.000 1.027 392 K CA 0.702 57.088 56.287 0.165 0.000 0.989 392 K CB 0.530 33.105 32.500 0.124 0.000 0.935 392 K HN 0.892 nan 8.250 nan 0.000 0.475 393 G N 3.414 112.340 108.800 0.209 0.000 2.176 393 G HA2 -0.325 3.634 3.960 -0.002 0.000 0.252 393 G HA3 -0.325 3.634 3.960 -0.002 0.000 0.252 393 G C -0.278 174.766 174.900 0.241 0.000 1.024 393 G CA 0.403 45.625 45.100 0.203 0.000 0.755 393 G HN 0.780 nan 8.290 nan 0.000 0.507 394 Y N 0.494 120.880 120.300 0.144 0.000 2.810 394 Y HA 0.286 4.835 4.550 -0.001 0.000 0.332 394 Y C 1.555 177.589 175.900 0.223 0.000 1.243 394 Y CA 1.147 59.318 58.100 0.118 0.000 1.537 394 Y CB 0.385 38.897 38.460 0.087 0.000 1.265 394 Y HN 1.489 nan 8.280 nan 0.000 0.572 395 G N 5.513 114.107 108.800 -0.343 0.000 2.187 395 G HA2 -0.332 3.627 3.960 -0.002 0.000 0.261 395 G HA3 -0.332 3.627 3.960 -0.002 0.000 0.261 395 G C 0.553 175.538 174.900 0.140 0.000 1.000 395 G CA 0.701 45.634 45.100 -0.278 0.000 0.718 395 G HN 0.711 nan 8.290 nan 0.000 0.519 396 M N 0.110 119.808 119.600 0.163 0.000 2.371 396 M HA 0.311 4.790 4.480 -0.002 0.000 0.246 396 M C 1.981 178.275 176.300 -0.012 0.000 1.103 396 M CA 0.497 55.907 55.300 0.182 0.000 1.010 396 M CB 0.260 32.956 32.600 0.160 0.000 1.457 396 M HN 0.753 nan 8.290 nan 0.000 0.486 397 G N 1.814 110.575 108.800 -0.066 0.000 2.522 397 G HA2 -0.363 3.596 3.960 -0.002 0.000 0.436 397 G HA3 -0.363 3.596 3.960 -0.002 0.000 0.436 397 G C 0.159 174.931 174.900 -0.213 0.000 1.353 397 G CA 0.360 45.314 45.100 -0.244 0.000 0.917 397 G HN 0.447 nan 8.290 nan 0.000 0.527 398 D N -1.397 118.861 120.400 -0.237 0.000 3.088 398 D HA -0.357 4.282 4.640 -0.002 0.000 0.553 398 D C 2.361 178.628 176.300 -0.056 0.000 0.552 398 D CA 4.092 58.014 54.000 -0.129 0.000 1.445 398 D CB -1.365 39.348 40.800 -0.144 0.000 0.247 398 D HN 1.455 nan 8.370 nan 0.000 0.213 399 A N 1.575 124.374 122.820 -0.034 0.000 2.037 399 A HA 0.277 4.596 4.320 -0.002 0.000 0.200 399 A C 1.341 178.942 177.584 0.029 0.000 1.230 399 A CA 2.564 54.607 52.037 0.011 0.000 0.695 399 A CB -1.173 17.846 19.000 0.031 0.000 0.883 399 A HN 0.699 nan 8.150 nan 0.000 0.502 415 D N 0.885 121.319 120.400 0.058 0.000 2.144 415 D HA -0.000 4.639 4.640 -0.002 0.000 0.199 415 D C 1.913 178.274 176.300 0.102 0.000 0.984 415 D CA 1.923 55.965 54.000 0.071 0.000 0.834 415 D CB -0.017 40.812 40.800 0.049 0.000 0.955 415 D HN 0.546 nan 8.370 nan 0.000 0.465 416 G N 0.585 109.435 108.800 0.083 0.000 2.402 416 G HA2 -0.186 3.773 3.960 -0.002 0.000 0.216 416 G HA3 -0.186 3.773 3.960 -0.002 0.000 0.216 416 G C 1.842 176.839 174.900 0.162 0.000 1.162 416 G CA 0.684 45.843 45.100 0.099 0.000 0.777 416 G HN 0.242 nan 8.290 nan 0.000 0.539 417 V N 0.702 120.699 119.914 0.138 0.000 2.358 417 V HA -0.147 3.972 4.120 -0.002 0.000 0.246 417 V C 2.895 179.155 176.094 0.277 0.000 1.047 417 V CA 1.851 64.263 62.300 0.187 0.000 1.035 417 V CB -0.498 31.409 31.823 0.139 0.000 0.658 417 V HN 0.304 nan 8.190 nan 0.000 0.452 418 R N -0.641 119.978 120.500 0.199 0.000 2.083 418 R HA -0.208 4.131 4.340 -0.002 0.000 0.237 418 R C 2.434 178.818 176.300 0.141 0.000 1.137 418 R CA 1.820 58.012 56.100 0.154 0.000 0.951 418 R CB -0.705 29.659 30.300 0.106 0.000 0.851 418 R HN 0.647 nan 8.270 nan 0.000 0.434 419 H N 1.155 120.277 119.070 0.086 0.000 2.319 419 H HA -0.098 4.457 4.556 -0.002 0.000 0.299 419 H C 1.930 177.302 175.328 0.072 0.000 1.092 419 H CA 1.832 57.913 56.048 0.055 0.000 1.302 419 H CB -0.024 29.762 29.762 0.040 0.000 1.373 419 H HN 0.167 nan 8.280 nan 0.000 0.497 420 I N 0.544 121.230 120.570 0.193 0.000 2.439 420 I HA -0.185 3.984 4.170 -0.002 0.000 0.251 420 I C 3.009 179.288 176.117 0.270 0.000 1.139 420 I CA 0.510 61.953 61.300 0.240 0.000 1.438 420 I CB -0.293 37.978 38.000 0.453 0.000 1.085 420 I HN 0.143 nan 8.210 nan 0.000 0.427 421 R N 1.434 122.107 120.500 0.288 0.000 2.083 421 R HA -0.203 4.136 4.340 -0.002 0.000 0.237 421 R C 1.587 177.880 176.300 -0.013 0.000 1.137 421 R CA 2.120 58.286 56.100 0.110 0.000 0.951 421 R CB -0.533 29.769 30.300 0.003 0.000 0.851 421 R HN 0.324 nan 8.270 nan 0.000 0.434 422 D N -0.079 120.280 120.400 -0.069 0.000 2.117 422 D HA -0.156 4.483 4.640 -0.002 0.000 0.198 422 D C 1.990 178.163 176.300 -0.213 0.000 0.982 422 D CA 1.009 54.931 54.000 -0.130 0.000 0.828 422 D CB -0.334 40.382 40.800 -0.139 0.000 0.967 422 D HN 0.115 nan 8.370 nan 0.000 0.464 423 R N 0.276 120.547 120.500 -0.382 0.000 2.105 423 R HA -0.097 4.242 4.340 -0.002 0.000 0.239 423 R C 1.294 177.211 176.300 -0.639 0.000 1.135 423 R CA 1.198 56.929 56.100 -0.615 0.000 0.967 423 R CB -0.617 29.127 30.300 -0.927 0.000 0.861 423 R HN 0.137 nan 8.270 nan 0.000 0.442 424 F N 0.162 120.089 119.950 -0.038 0.000 2.639 424 F HA 0.334 4.860 4.527 -0.002 0.000 0.302 424 F C -0.164 175.638 175.800 0.004 0.000 1.097 424 F CA -0.419 57.590 58.000 0.015 0.000 1.294 424 F CB -0.533 38.518 39.000 0.085 0.000 1.027 424 F HN 0.035 nan 8.300 nan 0.000 0.550 425 N N 0.164 118.901 118.700 0.063 0.000 2.705 425 N HA -0.164 4.575 4.740 -0.002 0.000 0.255 425 N C -0.836 174.685 175.510 0.020 0.000 1.008 425 N CA -0.084 52.978 53.050 0.020 0.000 0.742 425 N CB -1.080 37.423 38.487 0.027 0.000 0.906 425 N HN -0.035 nan 8.380 nan 0.000 0.541 426 V N 1.214 121.109 119.914 -0.031 0.000 2.555 426 V HA 0.204 4.323 4.120 -0.002 0.000 0.286 426 V C -1.186 174.766 176.094 -0.236 0.000 1.044 426 V CA -1.013 61.195 62.300 -0.155 0.000 1.026 426 V CB 1.031 32.634 31.823 -0.367 0.000 0.981 426 V HN 0.173 nan 8.190 nan 0.000 0.480 427 P HA 0.188 nan 4.420 nan 0.000 0.235 427 P C -0.779 176.381 177.300 -0.232 0.000 1.765 427 P CA 0.194 63.206 63.100 -0.146 0.000 1.034 427 P CB 0.175 31.852 31.700 -0.039 0.000 1.984 428 V N 1.689 121.421 119.914 -0.302 0.000 2.623 428 V HA 0.232 4.351 4.120 -0.002 0.000 0.304 428 V C 0.618 176.604 176.094 -0.180 0.000 1.054 428 V CA -0.622 61.500 62.300 -0.296 0.000 0.882 428 V CB 2.102 33.588 31.823 -0.561 0.000 1.002 428 V HN 0.414 nan 8.190 nan 0.000 0.424 429 S N 1.866 117.505 115.700 -0.103 0.000 2.617 429 S HA 0.258 4.727 4.470 -0.002 0.000 0.269 429 S C 0.665 175.240 174.600 -0.042 0.000 1.292 429 S CA -0.436 57.726 58.200 -0.062 0.000 1.010 429 S CB 1.200 64.376 63.200 -0.039 0.000 0.944 429 S HN 0.656 nan 8.310 nan 0.000 0.536 430 D N 1.509 121.893 120.400 -0.026 0.000 2.182 430 D HA -0.047 4.592 4.640 -0.002 0.000 0.201 430 D C 2.089 178.390 176.300 0.001 0.000 0.986 430 D CA 1.749 55.745 54.000 -0.007 0.000 0.847 430 D CB -0.683 40.114 40.800 -0.005 0.000 0.942 430 D HN 0.724 nan 8.370 nan 0.000 0.467 431 A N 0.413 123.230 122.820 -0.005 0.000 1.969 431 A HA -0.143 4.176 4.320 -0.002 0.000 0.218 431 A C 1.585 179.172 177.584 0.005 0.000 1.169 431 A CA 1.420 53.457 52.037 0.000 0.000 0.635 431 A CB -0.048 18.950 19.000 -0.003 0.000 0.810 431 A HN 0.017 nan 8.150 nan 0.000 0.445 432 D N -1.098 119.304 120.400 0.002 0.000 2.366 432 D HA 0.103 4.742 4.640 -0.002 0.000 0.205 432 D C 1.634 177.958 176.300 0.040 0.000 1.022 432 D CA -0.029 53.979 54.000 0.012 0.000 0.868 432 D CB -0.100 40.701 40.800 0.001 0.000 0.953 432 D HN 0.436 nan 8.370 nan 0.000 0.514 433 I N 1.223 121.822 120.570 0.049 0.000 2.194 433 I HA -0.319 3.850 4.170 -0.002 0.000 0.246 433 I C 1.318 177.502 176.117 0.110 0.000 1.093 433 I CA 1.499 62.869 61.300 0.116 0.000 1.355 433 I CB 0.239 38.304 38.000 0.108 0.000 1.046 433 I HN -0.114 nan 8.210 nan 0.000 0.413 434 E N 0.447 120.682 120.200 0.059 0.000 2.409 434 E HA -0.210 4.139 4.350 -0.002 0.000 0.198 434 E C 1.608 178.216 176.600 0.013 0.000 1.024 434 E CA 0.739 57.160 56.400 0.035 0.000 0.861 434 E CB -0.108 29.605 29.700 0.021 0.000 0.788 434 E HN 0.382 nan 8.360 nan 0.000 0.521 435 K N 0.229 120.638 120.400 0.015 0.000 2.444 435 K HA 0.195 4.514 4.320 -0.002 0.000 0.193 435 K C -0.172 176.397 176.600 -0.051 0.000 1.024 435 K CA -0.031 56.247 56.287 -0.015 0.000 1.077 435 K CB 0.089 32.584 32.500 -0.009 0.000 0.833 435 K HN 0.010 nan 8.250 nan 0.000 0.517 436 L N 1.198 122.408 121.223 -0.021 0.000 3.762 436 L HA -0.182 4.157 4.340 -0.002 0.000 0.460 436 L C -2.110 174.648 176.870 -0.187 0.000 1.255 436 L CA -0.576 54.206 54.840 -0.097 0.000 0.783 436 L CB -1.581 40.354 42.059 -0.206 0.000 1.600 436 L HN 0.148 nan 8.230 nan 0.000 0.862 437 P HA 0.064 nan 4.420 nan 0.000 0.271 437 P C -0.450 176.892 177.300 0.069 0.000 1.218 437 P CA 0.085 63.175 63.100 -0.016 0.000 0.780 437 P CB 0.606 32.355 31.700 0.082 0.000 0.901 438 Y N 1.088 121.459 120.300 0.120 0.000 2.307 438 Y HA 0.367 4.916 4.550 -0.002 0.000 0.324 438 Y C 1.113 177.127 175.900 0.191 0.000 1.238 438 Y CA -0.356 57.807 58.100 0.104 0.000 1.280 438 Y CB 0.580 38.935 38.460 -0.176 0.000 1.248 438 Y HN 0.181 nan 8.280 nan 0.000 0.508 439 I N 1.835 122.638 120.570 0.389 0.000 2.460 439 I HA 0.465 4.634 4.170 -0.002 0.000 0.298 439 I C -0.259 175.890 176.117 0.054 0.000 0.989 439 I CA -0.504 60.865 61.300 0.116 0.000 1.173 439 I CB 1.800 39.763 38.000 -0.061 0.000 1.338 439 I HN 0.670 nan 8.210 nan 0.000 0.456 440 T N 1.178 115.659 114.554 -0.122 0.000 2.906 440 T HA 0.607 4.956 4.350 -0.002 0.000 0.295 440 T C -0.865 173.655 174.700 -0.301 0.000 1.075 440 T CA -0.671 61.308 62.100 -0.202 0.000 1.005 440 T CB 1.669 70.499 68.868 -0.062 0.000 1.136 440 T HN 0.097 nan 8.240 nan 0.000 0.498 441 F N 2.792 122.787 119.950 0.076 0.000 2.403 441 F HA 0.475 5.001 4.527 -0.002 0.000 0.355 441 F C -1.973 173.879 175.800 0.087 0.000 1.119 441 F CA -2.599 55.465 58.000 0.107 0.000 1.007 441 F CB 1.266 40.361 39.000 0.158 0.000 1.194 441 F HN 0.377 nan 8.300 nan 0.000 0.443 442 P HA -0.035 nan 4.420 nan 0.000 0.268 442 P C -0.142 177.021 177.300 -0.228 0.000 1.208 442 P CA -0.183 62.906 63.100 -0.018 0.000 0.777 442 P CB 0.953 32.660 31.700 0.010 0.000 0.875 443 E N 0.105 120.042 120.200 -0.439 0.000 2.414 443 E HA 0.209 4.558 4.350 -0.002 0.000 0.263 443 E C 1.151 177.620 176.600 -0.219 0.000 1.000 443 E CA 0.999 57.023 56.400 -0.626 0.000 0.914 443 E CB -0.221 29.252 29.700 -0.379 0.000 0.948 443 E HN 0.787 nan 8.360 nan 0.000 0.444 444 G N 2.948 111.694 108.800 -0.090 0.000 2.279 444 G HA2 -0.305 3.654 3.960 -0.002 0.000 0.223 444 G HA3 -0.305 3.654 3.960 -0.002 0.000 0.223 444 G C 0.266 175.189 174.900 0.038 0.000 1.015 444 G CA 0.201 45.300 45.100 -0.002 0.000 0.621 444 G HN 0.775 nan 8.290 nan 0.000 0.506 445 S N 0.432 116.165 115.700 0.055 0.000 2.585 445 S HA 0.517 4.986 4.470 -0.002 0.000 0.273 445 S C 1.116 175.749 174.600 0.055 0.000 1.339 445 S CA 0.827 59.064 58.200 0.062 0.000 1.028 445 S CB 2.138 65.396 63.200 0.096 0.000 0.906 445 S HN 0.574 nan 8.310 nan 0.000 0.528 446 E N 1.439 121.641 120.200 0.002 0.000 2.070 446 E HA -0.262 4.087 4.350 -0.002 0.000 0.197 446 E C 1.540 178.103 176.600 -0.062 0.000 1.004 446 E CA 2.021 58.413 56.400 -0.013 0.000 0.805 446 E CB -0.234 29.439 29.700 -0.045 0.000 0.744 446 E HN 0.864 nan 8.360 nan 0.000 0.451 447 E N -0.345 119.706 120.200 -0.248 0.000 2.051 447 E HA -0.221 4.128 4.350 -0.002 0.000 0.192 447 E C 2.060 178.517 176.600 -0.237 0.000 0.991 447 E CA 1.447 57.544 56.400 -0.504 0.000 0.799 447 E CB -0.363 28.427 29.700 -1.518 0.000 0.748 447 E HN 0.370 nan 8.360 nan 0.000 0.449 448 H N 0.318 119.309 119.070 -0.131 0.000 2.353 448 H HA -0.075 4.480 4.556 -0.002 0.000 0.300 448 H C 1.655 177.089 175.328 0.177 0.000 1.090 448 H CA 1.920 58.039 56.048 0.118 0.000 1.327 448 H CB 0.080 29.954 29.762 0.188 0.000 1.383 448 H HN 0.140 nan 8.280 nan 0.000 0.508 449 T N 0.315 115.008 114.554 0.232 0.000 2.708 449 T HA -0.194 4.155 4.350 -0.002 0.000 0.266 449 T C 1.790 176.555 174.700 0.108 0.000 1.037 449 T CA 1.584 63.792 62.100 0.180 0.000 1.146 449 T CB -0.729 68.226 68.868 0.145 0.000 0.865 449 T HN 0.400 nan 8.240 nan 0.000 0.435 450 Y N 1.480 121.759 120.300 -0.035 0.000 2.163 450 Y HA -0.055 4.495 4.550 -0.001 0.000 0.288 450 Y C 2.196 178.041 175.900 -0.092 0.000 1.136 450 Y CA 0.878 58.943 58.100 -0.059 0.000 1.147 450 Y CB -0.548 37.868 38.460 -0.073 0.000 0.987 450 Y HN 0.090 nan 8.280 nan 0.000 0.509 451 L N -0.241 121.036 121.223 0.090 0.000 1.990 451 L HA -0.304 4.035 4.340 -0.002 0.000 0.213 451 L C 2.371 179.115 176.870 -0.210 0.000 1.072 451 L CA 2.240 57.035 54.840 -0.076 0.000 0.755 451 L CB -1.037 40.897 42.059 -0.209 0.000 0.889 451 L HN 0.310 nan 8.230 nan 0.000 0.432 452 H N -0.699 118.323 119.070 -0.081 0.000 2.428 452 H HA 0.072 4.627 4.556 -0.002 0.000 0.296 452 H C 2.147 177.419 175.328 -0.094 0.000 1.062 452 H CA 1.188 57.209 56.048 -0.044 0.000 1.350 452 H CB -0.257 29.457 29.762 -0.080 0.000 1.403 452 H HN 0.552 nan 8.280 nan 0.000 0.533 453 A N 1.262 124.057 122.820 -0.041 0.000 1.902 453 A HA -0.168 4.151 4.320 -0.002 0.000 0.217 453 A C 2.359 179.811 177.584 -0.219 0.000 1.181 453 A CA 1.165 53.125 52.037 -0.128 0.000 0.623 453 A CB -0.172 18.726 19.000 -0.170 0.000 0.818 453 A HN 0.248 nan 8.150 nan 0.000 0.443 454 Q N -0.345 119.264 119.800 -0.318 0.000 2.084 454 Q HA -0.131 4.208 4.340 -0.002 0.000 0.202 454 Q C 2.200 178.070 176.000 -0.216 0.000 0.978 454 Q CA 1.267 56.874 55.803 -0.325 0.000 0.844 454 Q CB -0.445 28.068 28.738 -0.375 0.000 0.898 454 Q HN 0.487 nan 8.270 nan 0.000 0.426 455 R N 0.454 120.843 120.500 -0.185 0.000 2.092 455 R HA -0.037 4.302 4.340 -0.002 0.000 0.231 455 R C 2.105 178.238 176.300 -0.277 0.000 1.119 455 R CA 0.797 56.758 56.100 -0.231 0.000 0.970 455 R CB -0.413 29.669 30.300 -0.363 0.000 0.864 455 R HN 0.319 nan 8.270 nan 0.000 0.440 456 Q N 1.024 120.693 119.800 -0.219 0.000 2.084 456 Q HA -0.092 4.247 4.340 -0.002 0.000 0.202 456 Q C 1.865 177.737 176.000 -0.213 0.000 0.978 456 Q CA 1.394 57.089 55.803 -0.180 0.000 0.844 456 Q CB -0.155 28.527 28.738 -0.094 0.000 0.898 456 Q HN 0.337 nan 8.270 nan 0.000 0.426 457 K N 0.022 120.298 120.400 -0.206 0.000 2.280 457 K HA -0.047 4.272 4.320 -0.002 0.000 0.202 457 K C 1.199 177.635 176.600 -0.273 0.000 1.047 457 K CA 0.570 56.722 56.287 -0.224 0.000 0.942 457 K CB 0.078 32.468 32.500 -0.185 0.000 0.739 457 K HN 0.140 nan 8.250 nan 0.000 0.457 458 L N 0.294 121.389 121.223 -0.213 0.000 2.984 458 L HA 0.171 4.510 4.340 -0.002 0.000 0.246 458 L C -0.645 176.221 176.870 -0.006 0.000 1.268 458 L CA -0.119 54.662 54.840 -0.097 0.000 1.054 458 L CB -0.359 41.694 42.059 -0.010 0.000 1.393 458 L HN 0.325 nan 8.230 nan 0.000 0.532 459 H N -1.388 117.644 119.070 -0.062 0.000 3.080 459 H HA -0.148 4.407 4.556 -0.001 0.000 0.254 459 H C 0.925 176.200 175.328 -0.089 0.000 1.179 459 H CA 0.793 56.809 56.048 -0.052 0.000 1.144 459 H CB -1.285 28.471 29.762 -0.010 0.000 1.261 459 H HN 0.650 nan 8.280 nan 0.000 0.333 460 G N -2.011 106.696 108.800 -0.156 0.000 2.297 460 G HA2 0.024 3.983 3.960 -0.002 0.000 0.209 460 G HA3 0.024 3.983 3.960 -0.002 0.000 0.209 460 G C -1.311 173.247 174.900 -0.570 0.000 1.267 460 G CA -0.531 44.359 45.100 -0.349 0.000 1.127 460 G HN 0.216 nan 8.290 nan 0.000 0.498 461 Y N 0.352 120.715 120.300 0.105 0.000 2.487 461 Y HA 0.827 5.376 4.550 -0.002 0.000 0.337 461 Y C 0.844 176.798 175.900 0.090 0.000 1.076 461 Y CA -0.454 57.712 58.100 0.110 0.000 1.115 461 Y CB 1.885 40.389 38.460 0.073 0.000 1.235 461 Y HN 0.860 nan 8.280 nan 0.000 0.468 462 L N 0.540 121.926 121.223 0.272 0.000 2.540 462 L HA 0.808 5.147 4.340 -0.002 0.000 0.256 462 L C -3.176 173.774 176.870 0.133 0.000 1.001 462 L CA -2.285 52.640 54.840 0.143 0.000 0.843 462 L CB 2.608 44.752 42.059 0.142 0.000 1.436 462 L HN 0.302 nan 8.230 nan 0.000 0.410 463 P HA 0.364 nan 4.420 nan 0.000 0.276 463 P C -0.987 175.992 177.300 -0.535 0.000 1.244 463 P CA -0.150 62.766 63.100 -0.307 0.000 0.801 463 P CB 1.740 33.210 31.700 -0.384 0.000 1.006 464 S N 0.652 116.172 115.700 -0.299 0.000 2.588 464 S HA 0.697 5.166 4.470 -0.002 0.000 0.269 464 S C -1.166 173.355 174.600 -0.133 0.000 1.157 464 S CA -0.939 57.135 58.200 -0.210 0.000 0.824 464 S CB 2.392 65.553 63.200 -0.064 0.000 1.126 464 S HN 0.724 nan 8.310 nan 0.000 0.464 465 R N 0.673 121.126 120.500 -0.078 0.000 2.626 465 R HA 0.447 4.786 4.340 -0.002 0.000 0.274 465 R C -1.771 174.519 176.300 -0.017 0.000 1.031 465 R CA -0.422 55.639 56.100 -0.065 0.000 0.898 465 R CB 1.954 32.207 30.300 -0.078 0.000 1.222 465 R HN 0.862 nan 8.270 nan 0.000 0.455 466 Q N 5.774 125.567 119.800 -0.012 0.000 2.340 466 Q HA 0.327 4.666 4.340 -0.002 0.000 0.259 466 Q C -1.817 174.211 176.000 0.047 0.000 0.964 466 Q CA -2.167 53.652 55.803 0.026 0.000 0.900 466 Q CB 1.644 30.407 28.738 0.041 0.000 1.228 466 Q HN 0.438 nan 8.270 nan 0.000 0.449 467 P HA -0.058 nan 4.420 nan 0.000 0.221 467 P C -0.534 176.906 177.300 0.234 0.000 1.150 467 P CA 0.803 63.979 63.100 0.126 0.000 0.800 467 P CB 0.492 32.241 31.700 0.082 0.000 0.787 468 N N 0.090 118.890 118.700 0.168 0.000 2.238 468 N HA 0.263 5.002 4.740 -0.002 0.000 0.302 468 N C -0.245 175.375 175.510 0.184 0.000 1.072 468 N CA -0.666 52.462 53.050 0.129 0.000 0.792 468 N CB 1.439 39.879 38.487 -0.078 0.000 1.425 468 N HN -0.048 nan 8.380 nan 0.000 0.478 469 F N -0.817 119.260 119.950 0.213 0.000 2.406 469 F HA 0.359 4.885 4.527 -0.001 0.000 0.327 469 F C 1.860 177.726 175.800 0.109 0.000 1.153 469 F CA -0.623 57.490 58.000 0.188 0.000 1.218 469 F CB 0.070 39.215 39.000 0.243 0.000 1.215 469 F HN 0.501 nan 8.300 nan 0.000 0.570 470 T N -1.864 112.836 114.554 0.242 0.000 2.939 470 T HA 0.032 4.381 4.350 -0.002 0.000 0.254 470 T C 0.575 175.357 174.700 0.138 0.000 1.041 470 T CA 0.388 62.550 62.100 0.103 0.000 1.142 470 T CB -0.709 68.218 68.868 0.098 0.000 0.874 470 T HN 0.829 nan 8.240 nan 0.000 0.452 471 E N 1.578 121.948 120.200 0.283 0.000 2.425 471 E HA 0.088 4.437 4.350 -0.002 0.000 0.258 471 E C -0.324 176.448 176.600 0.287 0.000 1.151 471 E CA -0.514 56.034 56.400 0.247 0.000 0.958 471 E CB 0.507 30.344 29.700 0.228 0.000 0.968 471 E HN 0.354 nan 8.360 nan 0.000 0.451 472 K N 3.005 123.521 120.400 0.193 0.000 2.307 472 K HA 0.270 4.589 4.320 -0.002 0.000 0.263 472 K C -0.761 175.953 176.600 0.190 0.000 0.973 472 K CA -0.592 55.803 56.287 0.180 0.000 0.846 472 K CB 0.744 33.300 32.500 0.093 0.000 1.100 472 K HN 0.521 nan 8.250 nan 0.000 0.438 473 L N 2.971 124.342 121.223 0.246 0.000 2.399 473 L HA 0.267 4.606 4.340 -0.002 0.000 0.266 473 L C 0.283 177.231 176.870 0.130 0.000 1.114 473 L CA -0.596 54.347 54.840 0.173 0.000 0.804 473 L CB 1.003 43.174 42.059 0.186 0.000 1.146 473 L HN 0.510 nan 8.230 nan 0.000 0.451 474 E N 3.873 124.129 120.200 0.094 0.000 2.167 474 E HA 0.338 4.688 4.350 -0.002 0.000 0.247 474 E C -0.586 176.061 176.600 0.078 0.000 0.961 474 E CA -0.277 56.170 56.400 0.077 0.000 0.797 474 E CB 0.851 30.584 29.700 0.055 0.000 1.182 474 E HN 0.413 nan 8.360 nan 0.000 0.437 475 L N 3.906 125.190 121.223 0.102 0.000 2.439 475 L HA 0.212 4.551 4.340 -0.002 0.000 0.269 475 L C -1.514 175.430 176.870 0.123 0.000 1.179 475 L CA -1.536 53.376 54.840 0.120 0.000 0.828 475 L CB -0.093 42.050 42.059 0.140 0.000 1.106 475 L HN 0.127 nan 8.230 nan 0.000 0.467 476 P HA 0.041 nan 4.420 nan 0.000 0.269 476 P C -0.576 176.860 177.300 0.227 0.000 1.215 476 P CA -0.361 62.781 63.100 0.069 0.000 0.780 476 P CB 0.942 32.597 31.700 -0.074 0.000 0.898 477 S N 1.582 117.362 115.700 0.133 0.000 2.669 477 S HA 0.138 4.607 4.470 -0.002 0.000 0.270 477 S C 1.190 175.848 174.600 0.096 0.000 1.225 477 S CA -0.703 57.602 58.200 0.174 0.000 0.991 477 S CB 0.490 63.726 63.200 0.060 0.000 0.987 477 S HN 0.360 nan 8.310 nan 0.000 0.552 478 L N 0.935 122.005 121.223 -0.255 0.000 2.083 478 L HA -0.030 4.309 4.340 -0.002 0.000 0.209 478 L C 2.750 179.636 176.870 0.027 0.000 1.083 478 L CA 1.974 56.641 54.840 -0.289 0.000 0.752 478 L CB -1.110 40.627 42.059 -0.537 0.000 0.899 478 L HN 0.987 nan 8.230 nan 0.000 0.433 479 Q N -0.909 118.872 119.800 -0.031 0.000 2.297 479 Q HA -0.231 4.108 4.340 -0.002 0.000 0.208 479 Q C 1.362 177.340 176.000 -0.037 0.000 0.981 479 Q CA 1.602 57.393 55.803 -0.019 0.000 0.876 479 Q CB -0.046 28.675 28.738 -0.028 0.000 0.921 479 Q HN 0.557 nan 8.270 nan 0.000 0.446 480 D N -0.439 119.904 120.400 -0.095 0.000 2.310 480 D HA -0.122 4.517 4.640 -0.002 0.000 0.212 480 D C 0.295 176.398 176.300 -0.329 0.000 0.965 480 D CA 0.830 54.684 54.000 -0.243 0.000 0.879 480 D CB 0.014 40.587 40.800 -0.377 0.000 0.921 480 D HN 0.306 nan 8.370 nan 0.000 0.510 481 F N 0.033 119.958 119.950 -0.043 0.000 2.645 481 F HA 0.272 4.799 4.527 -0.001 0.000 0.300 481 F C 2.195 177.974 175.800 -0.034 0.000 1.115 481 F CA -0.465 57.514 58.000 -0.035 0.000 1.355 481 F CB 0.005 38.990 39.000 -0.026 0.000 1.026 481 F HN -0.131 nan 8.300 nan 0.000 0.536 482 G N 0.742 109.587 108.800 0.075 0.000 2.547 482 G HA2 -0.362 3.597 3.960 -0.002 0.000 0.221 482 G HA3 -0.362 3.597 3.960 -0.002 0.000 0.221 482 G C 1.957 176.879 174.900 0.036 0.000 1.140 482 G CA 1.107 46.230 45.100 0.038 0.000 0.760 482 G HN 0.444 nan 8.290 nan 0.000 0.583 483 A N 0.240 123.078 122.820 0.030 0.000 1.972 483 A HA 0.155 4.474 4.320 -0.002 0.000 0.219 483 A C 2.392 180.002 177.584 0.044 0.000 1.169 483 A CA 1.192 53.243 52.037 0.023 0.000 0.635 483 A CB -0.303 18.703 19.000 0.009 0.000 0.810 483 A HN 0.384 nan 8.150 nan 0.000 0.446 484 L N -0.640 120.629 121.223 0.077 0.000 2.376 484 L HA -0.056 4.283 4.340 -0.002 0.000 0.219 484 L C 1.953 178.892 176.870 0.114 0.000 1.133 484 L CA 0.480 55.375 54.840 0.092 0.000 0.816 484 L CB -0.284 41.845 42.059 0.117 0.000 0.933 484 L HN 0.389 nan 8.230 nan 0.000 0.449 485 L N -1.105 120.173 121.223 0.091 0.000 2.492 485 L HA 0.033 4.372 4.340 -0.002 0.000 0.223 485 L C 0.754 177.630 176.870 0.010 0.000 1.132 485 L CA 0.216 55.096 54.840 0.068 0.000 0.850 485 L CB -0.098 41.969 42.059 0.012 0.000 0.966 485 L HN 0.201 nan 8.230 nan 0.000 0.454 486 E N 0.192 120.401 120.200 0.016 0.000 2.254 486 E HA 0.153 4.502 4.350 -0.002 0.000 0.261 486 E C -0.200 176.402 176.600 0.003 0.000 1.051 486 E CA -0.634 55.761 56.400 -0.009 0.000 0.902 486 E CB 1.010 30.706 29.700 -0.008 0.000 1.168 486 E HN 0.025 nan 8.360 nan 0.000 0.423 487 E N 1.274 121.467 120.200 -0.011 0.000 2.452 487 E HA -0.110 4.240 4.350 -0.002 0.000 0.261 487 E C -0.650 175.941 176.600 -0.016 0.000 0.987 487 E CA -0.113 56.274 56.400 -0.021 0.000 0.926 487 E CB 0.500 30.214 29.700 0.022 0.000 0.934 487 E HN 0.186 nan 8.360 nan 0.000 0.452 488 Q N 2.425 122.190 119.800 -0.057 0.000 2.261 488 Q HA 0.056 4.396 4.340 -0.002 0.000 0.252 488 Q C 0.385 176.395 176.000 0.016 0.000 0.915 488 Q CA -0.038 55.750 55.803 -0.025 0.000 0.915 488 Q CB 1.815 30.527 28.738 -0.042 0.000 1.204 488 Q HN 0.644 nan 8.270 nan 0.000 0.421 489 S N 2.704 118.422 115.700 0.030 0.000 2.345 489 S HA -0.026 4.443 4.470 -0.002 0.000 0.219 489 S C 0.339 174.975 174.600 0.060 0.000 1.031 489 S CA 1.068 59.299 58.200 0.051 0.000 0.984 489 S CB 0.331 63.550 63.200 0.032 0.000 0.874 489 S HN 0.440 nan 8.310 nan 0.000 0.451 490 K N 1.477 121.899 120.400 0.037 0.000 2.098 490 K HA 0.303 4.622 4.320 -0.002 0.000 0.257 490 K C -0.400 176.224 176.600 0.040 0.000 0.999 490 K CA -0.209 56.099 56.287 0.036 0.000 0.924 490 K CB 0.667 33.177 32.500 0.015 0.000 1.028 490 K HN 0.301 nan 8.250 nan 0.000 0.466 491 E N 2.183 122.412 120.200 0.048 0.000 2.229 491 E HA 0.218 4.567 4.350 -0.002 0.000 0.283 491 E C -0.240 176.353 176.600 -0.012 0.000 1.030 491 E CA -0.240 56.189 56.400 0.048 0.000 0.836 491 E CB 0.633 30.384 29.700 0.084 0.000 1.068 491 E HN 0.392 nan 8.360 nan 0.000 0.401 492 I N -1.158 119.374 120.570 -0.063 0.000 3.457 492 I HA 0.636 4.805 4.170 -0.002 0.000 0.307 492 I C -0.365 175.624 176.117 -0.213 0.000 1.138 492 I CA -0.998 60.243 61.300 -0.097 0.000 0.974 492 I CB 2.066 40.029 38.000 -0.062 0.000 1.324 492 I HN 0.428 nan 8.210 nan 0.000 0.485 493 S N -0.854 114.739 115.700 -0.179 0.000 2.689 493 S HA 0.393 4.862 4.470 -0.002 0.000 0.306 493 S C 0.760 175.283 174.600 -0.129 0.000 1.104 493 S CA 0.148 58.205 58.200 -0.239 0.000 0.973 493 S CB 1.346 64.456 63.200 -0.151 0.000 1.121 493 S HN 0.872 nan 8.310 nan 0.000 0.523 494 T N -1.832 112.660 114.554 -0.104 0.000 2.962 494 T HA -0.049 4.300 4.350 -0.002 0.000 0.270 494 T C 1.519 176.238 174.700 0.031 0.000 1.088 494 T CA 1.639 63.727 62.100 -0.020 0.000 1.127 494 T CB -1.099 67.768 68.868 -0.002 0.000 0.883 494 T HN 0.621 nan 8.240 nan 0.000 0.493 495 T N 1.983 116.553 114.554 0.027 0.000 2.851 495 T HA 0.227 4.576 4.350 -0.002 0.000 0.262 495 T C 1.879 176.658 174.700 0.131 0.000 1.043 495 T CA 0.779 62.940 62.100 0.100 0.000 1.140 495 T CB -0.329 68.596 68.868 0.094 0.000 0.872 495 T HN 0.372 nan 8.240 nan 0.000 0.446 496 I N 1.474 122.070 120.570 0.043 0.000 2.286 496 I HA -0.177 3.992 4.170 -0.002 0.000 0.248 496 I C 2.866 178.983 176.117 0.000 0.000 1.115 496 I CA 0.938 62.243 61.300 0.009 0.000 1.392 496 I CB -0.417 37.569 38.000 -0.024 0.000 1.065 496 I HN 0.196 nan 8.210 nan 0.000 0.418 497 A N 0.940 123.771 122.820 0.018 0.000 1.902 497 A HA -0.261 4.058 4.320 -0.002 0.000 0.217 497 A C 2.210 179.811 177.584 0.029 0.000 1.181 497 A CA 1.496 53.544 52.037 0.019 0.000 0.623 497 A CB -0.919 18.096 19.000 0.027 0.000 0.818 497 A HN 0.480 nan 8.150 nan 0.000 0.443 498 F N 1.077 120.991 119.950 -0.061 0.000 2.069 498 F HA -0.170 4.356 4.527 -0.001 0.000 0.298 498 F C 2.133 177.869 175.800 -0.107 0.000 1.113 498 F CA 2.094 60.043 58.000 -0.085 0.000 1.214 498 F CB -0.762 38.191 39.000 -0.078 0.000 0.978 498 F HN 0.009 nan 8.300 nan 0.000 0.474 499 V N 0.897 120.506 119.914 -0.509 0.000 2.332 499 V HA -0.321 3.798 4.120 -0.002 0.000 0.248 499 V C 2.597 178.452 176.094 -0.399 0.000 1.055 499 V CA 2.428 64.376 62.300 -0.586 0.000 1.038 499 V CB -0.785 30.907 31.823 -0.219 0.000 0.651 499 V HN 0.294 nan 8.190 nan 0.000 0.450 500 R N -0.285 120.081 120.500 -0.223 0.000 2.148 500 R HA -0.019 4.320 4.340 -0.002 0.000 0.227 500 R C 2.322 178.558 176.300 -0.106 0.000 1.103 500 R CA 1.281 57.301 56.100 -0.132 0.000 0.983 500 R CB -0.488 29.776 30.300 -0.059 0.000 0.874 500 R HN 0.553 nan 8.270 nan 0.000 0.451 501 A N 0.501 123.245 122.820 -0.127 0.000 1.929 501 A HA -0.081 4.238 4.320 -0.002 0.000 0.216 501 A C 2.037 179.558 177.584 -0.106 0.000 1.176 501 A CA 0.807 52.857 52.037 0.022 0.000 0.628 501 A CB -0.388 18.578 19.000 -0.056 0.000 0.816 501 A HN 0.253 nan 8.150 nan 0.000 0.444 502 L N -0.197 120.759 121.223 -0.445 0.000 2.046 502 L HA -0.197 4.142 4.340 -0.002 0.000 0.208 502 L C 2.246 178.944 176.870 -0.286 0.000 1.077 502 L CA 1.221 55.740 54.840 -0.536 0.000 0.747 502 L CB -0.421 41.184 42.059 -0.757 0.000 0.896 502 L HN 0.451 nan 8.230 nan 0.000 0.432 503 N N -0.574 117.990 118.700 -0.227 0.000 2.223 503 N HA -0.157 4.582 4.740 -0.002 0.000 0.185 503 N C 1.767 177.198 175.510 -0.131 0.000 1.016 503 N CA 1.292 54.252 53.050 -0.150 0.000 0.863 503 N CB -0.077 38.335 38.487 -0.125 0.000 0.983 503 N HN 0.176 nan 8.380 nan 0.000 0.429 504 V N 1.900 121.735 119.914 -0.132 0.000 2.295 504 V HA -0.213 3.906 4.120 -0.002 0.000 0.246 504 V C 2.387 178.354 176.094 -0.212 0.000 1.049 504 V CA 1.439 63.607 62.300 -0.221 0.000 1.024 504 V CB -0.401 31.182 31.823 -0.400 0.000 0.648 504 V HN 0.274 nan 8.190 nan 0.000 0.447 505 M N -0.808 118.715 119.600 -0.128 0.000 2.213 505 M HA -0.148 4.331 4.480 -0.002 0.000 0.263 505 M C 1.978 178.238 176.300 -0.067 0.000 1.062 505 M CA 1.753 57.013 55.300 -0.067 0.000 1.105 505 M CB -0.410 32.180 32.600 -0.017 0.000 1.385 505 M HN 0.259 nan 8.290 nan 0.000 0.417 506 L N -0.196 120.975 121.223 -0.086 0.000 2.622 506 L HA -0.106 4.233 4.340 -0.002 0.000 0.233 506 L C 1.945 178.782 176.870 -0.055 0.000 1.156 506 L CA 0.427 55.231 54.840 -0.059 0.000 0.866 506 L CB -0.305 41.717 42.059 -0.061 0.000 0.980 506 L HN 0.174 nan 8.230 nan 0.000 0.448 507 K N -0.720 119.635 120.400 -0.076 0.000 2.354 507 K HA 0.109 4.428 4.320 -0.002 0.000 0.194 507 K C 0.512 177.074 176.600 -0.064 0.000 1.038 507 K CA -0.027 56.218 56.287 -0.070 0.000 1.052 507 K CB -0.017 32.429 32.500 -0.090 0.000 0.861 507 K HN 0.166 nan 8.250 nan 0.000 0.535 508 N N 2.084 120.746 118.700 -0.064 0.000 2.442 508 N HA -0.012 4.727 4.740 -0.002 0.000 0.265 508 N C 0.620 176.117 175.510 -0.023 0.000 1.138 508 N CA 0.265 53.288 53.050 -0.046 0.000 0.956 508 N CB 1.326 39.790 38.487 -0.039 0.000 1.067 508 N HN -0.217 nan 8.380 nan 0.000 0.474 509 K N 1.702 122.092 120.400 -0.017 0.000 2.063 509 K HA -0.092 4.227 4.320 -0.002 0.000 0.208 509 K C 1.863 178.463 176.600 -0.000 0.000 1.048 509 K CA 1.160 57.442 56.287 -0.009 0.000 0.928 509 K CB -0.402 32.095 32.500 -0.006 0.000 0.713 509 K HN 0.542 nan 8.250 nan 0.000 0.442 510 S N 0.069 115.774 115.700 0.008 0.000 2.383 510 S HA -0.065 4.404 4.470 -0.002 0.000 0.227 510 S C 1.638 176.243 174.600 0.009 0.000 1.026 510 S CA 1.402 59.612 58.200 0.017 0.000 0.981 510 S CB -0.160 63.060 63.200 0.034 0.000 0.818 510 S HN 0.429 nan 8.310 nan 0.000 0.472 511 I N -1.265 119.309 120.570 0.008 0.000 4.139 511 I HA 0.306 4.475 4.170 -0.002 0.000 0.335 511 I C 1.724 177.845 176.117 0.007 0.000 1.327 511 I CA 0.065 61.365 61.300 -0.001 0.000 1.112 511 I CB -0.249 37.755 38.000 0.007 0.000 1.058 511 I HN 0.130 nan 8.210 nan 0.000 0.396 512 K N 1.435 121.838 120.400 0.004 0.000 2.127 512 K HA -0.220 4.099 4.320 -0.002 0.000 0.208 512 K C 0.885 177.495 176.600 0.017 0.000 1.047 512 K CA 2.360 58.650 56.287 0.005 0.000 0.927 512 K CB -0.450 32.045 32.500 -0.008 0.000 0.716 512 K HN 0.368 nan 8.250 nan 0.000 0.450 513 D N -0.202 120.203 120.400 0.008 0.000 2.339 513 D HA 0.038 4.677 4.640 -0.002 0.000 0.217 513 D C 1.332 177.644 176.300 0.020 0.000 1.050 513 D CA 0.139 54.144 54.000 0.007 0.000 0.856 513 D CB 0.354 41.143 40.800 -0.018 0.000 0.922 513 D HN 0.195 nan 8.370 nan 0.000 0.518 514 R N 0.224 120.736 120.500 0.020 0.000 2.280 514 R HA 0.193 4.532 4.340 -0.002 0.000 0.195 514 R C 0.816 177.158 176.300 0.070 0.000 0.935 514 R CA -0.042 56.068 56.100 0.017 0.000 1.033 514 R CB -0.011 30.255 30.300 -0.058 0.000 0.964 514 R HN 0.201 nan 8.270 nan 0.000 0.489 515 L N 1.304 122.594 121.223 0.112 0.000 2.380 515 L HA 0.203 4.542 4.340 -0.002 0.000 0.273 515 L C 0.081 177.105 176.870 0.256 0.000 1.138 515 L CA -0.366 54.601 54.840 0.211 0.000 0.832 515 L CB 0.961 43.145 42.059 0.209 0.000 1.124 515 L HN -0.308 nan 8.230 nan 0.000 0.454 516 V N 3.673 123.774 119.914 0.313 0.000 2.289 516 V HA 0.267 4.386 4.120 -0.002 0.000 0.272 516 V C -2.304 174.002 176.094 0.354 0.000 1.026 516 V CA -1.558 60.920 62.300 0.296 0.000 0.807 516 V CB 1.068 33.024 31.823 0.222 0.000 1.044 516 V HN 0.606 nan 8.190 nan 0.000 0.443 517 P HA 0.410 nan 4.420 nan 0.000 0.276 517 P C -0.537 176.972 177.300 0.347 0.000 1.235 517 P CA 0.139 63.468 63.100 0.381 0.000 0.772 517 P CB 0.772 32.647 31.700 0.291 0.000 0.871 518 I N 4.405 125.220 120.570 0.409 0.000 2.465 518 I HA 0.444 4.613 4.170 -0.002 0.000 0.291 518 I C -0.228 176.160 176.117 0.453 0.000 1.014 518 I CA -0.712 60.792 61.300 0.342 0.000 1.093 518 I CB 1.650 39.796 38.000 0.242 0.000 1.267 518 I HN 0.136 nan 8.210 nan 0.000 0.431 519 I N 4.323 125.118 120.570 0.374 0.000 2.934 519 I HA 0.571 4.740 4.170 -0.002 0.000 0.306 519 I C -0.142 176.200 176.117 0.374 0.000 1.110 519 I CA -0.400 61.160 61.300 0.433 0.000 1.019 519 I CB 2.256 40.509 38.000 0.421 0.000 1.227 519 I HN 0.580 nan 8.210 nan 0.000 0.434 520 A N 2.927 126.014 122.820 0.445 0.000 2.786 520 A HA 0.615 4.934 4.320 -0.002 0.000 0.346 520 A C 0.325 178.111 177.584 0.338 0.000 1.265 520 A CA 0.002 52.253 52.037 0.356 0.000 0.858 520 A CB -0.241 19.010 19.000 0.418 0.000 1.118 520 A HN 0.854 nan 8.150 nan 0.000 0.482 521 D N 0.718 121.283 120.400 0.275 0.000 4.286 521 D HA -0.202 4.437 4.640 -0.002 0.000 0.203 521 D C 0.223 176.698 176.300 0.292 0.000 1.071 521 D CA 2.283 56.429 54.000 0.244 0.000 2.291 521 D CB -1.241 39.684 40.800 0.208 0.000 1.164 521 D HN 0.614 nan 8.370 nan 0.000 0.407 522 E N 1.120 121.519 120.200 0.331 0.000 2.498 522 E HA 0.316 4.665 4.350 -0.002 0.000 0.252 522 E C 0.491 177.311 176.600 0.367 0.000 1.025 522 E CA 0.758 57.337 56.400 0.298 0.000 0.938 522 E CB 0.967 30.849 29.700 0.304 0.000 0.947 522 E HN 0.460 nan 8.360 nan 0.000 0.478 523 A N 4.630 127.612 122.820 0.270 0.000 1.971 523 A HA 0.044 4.363 4.320 -0.002 0.000 0.200 523 A C 1.877 179.488 177.584 0.045 0.000 1.658 523 A CA -0.046 52.142 52.037 0.252 0.000 0.962 523 A CB 0.129 19.328 19.000 0.332 0.000 1.053 523 A HN 0.457 nan 8.150 nan 0.000 0.533 524 R N 0.182 120.675 120.500 -0.011 0.000 2.117 524 R HA -0.114 4.225 4.340 -0.002 0.000 0.243 524 R C 1.980 178.192 176.300 -0.146 0.000 1.143 524 R CA 1.959 58.014 56.100 -0.075 0.000 0.968 524 R CB -0.774 29.505 30.300 -0.035 0.000 0.863 524 R HN 0.507 nan 8.270 nan 0.000 0.444 525 T N 0.337 114.733 114.554 -0.264 0.000 2.849 525 T HA -0.114 4.235 4.350 -0.002 0.000 0.270 525 T C 0.848 175.153 174.700 -0.658 0.000 1.066 525 T CA 1.178 62.962 62.100 -0.526 0.000 1.130 525 T CB -0.107 68.247 68.868 -0.857 0.000 0.864 525 T HN 0.139 nan 8.240 nan 0.000 0.481 526 F N 0.210 120.120 119.950 -0.067 0.000 2.639 526 F HA 0.461 4.987 4.527 -0.002 0.000 0.302 526 F C 1.674 177.450 175.800 -0.040 0.000 1.097 526 F CA -0.927 57.036 58.000 -0.062 0.000 1.294 526 F CB -0.336 38.637 39.000 -0.044 0.000 1.027 526 F HN 0.181 nan 8.300 nan 0.000 0.550 527 G N 0.691 109.502 108.800 0.018 0.000 2.249 527 G HA2 -0.306 3.653 3.960 -0.002 0.000 0.273 527 G HA3 -0.306 3.653 3.960 -0.002 0.000 0.273 527 G C 1.015 175.882 174.900 -0.054 0.000 1.036 527 G CA 0.523 45.606 45.100 -0.028 0.000 0.824 527 G HN 0.196 nan 8.290 nan 0.000 0.504 528 M N 0.150 119.706 119.600 -0.074 0.000 2.514 528 M HA 0.049 4.528 4.480 -0.002 0.000 0.258 528 M C 2.460 178.444 176.300 -0.526 0.000 1.119 528 M CA 1.285 56.490 55.300 -0.159 0.000 1.111 528 M CB -0.521 32.082 32.600 0.005 0.000 1.390 528 M HN 0.650 nan 8.290 nan 0.000 0.475 529 E N 0.493 120.316 120.200 -0.628 0.000 2.208 529 E HA -0.211 4.138 4.350 -0.002 0.000 0.202 529 E C 1.783 178.081 176.600 -0.503 0.000 1.014 529 E CA 1.968 57.859 56.400 -0.849 0.000 0.819 529 E CB -1.038 28.443 29.700 -0.364 0.000 0.735 529 E HN 0.489 nan 8.360 nan 0.000 0.469 530 G N 1.561 110.198 108.800 -0.271 0.000 2.422 530 G HA2 -0.144 3.815 3.960 -0.002 0.000 0.218 530 G HA3 -0.144 3.815 3.960 -0.002 0.000 0.218 530 G C 1.789 176.652 174.900 -0.062 0.000 1.140 530 G CA 0.688 45.714 45.100 -0.124 0.000 0.775 530 G HN 0.217 nan 8.290 nan 0.000 0.545 531 L N -0.201 120.974 121.223 -0.081 0.000 2.131 531 L HA -0.028 4.311 4.340 -0.002 0.000 0.210 531 L C 2.661 179.675 176.870 0.240 0.000 1.092 531 L CA 0.426 55.300 54.840 0.056 0.000 0.759 531 L CB -0.450 41.654 42.059 0.075 0.000 0.903 531 L HN 0.067 nan 8.230 nan 0.000 0.435 532 F N 1.096 121.073 119.950 0.046 0.000 2.087 532 F HA -0.273 4.252 4.527 -0.003 0.000 0.299 532 F C 2.798 178.623 175.800 0.041 0.000 1.100 532 F CA 1.748 59.781 58.000 0.054 0.000 1.226 532 F CB -1.150 37.884 39.000 0.056 0.000 0.983 532 F HN 0.256 nan 8.300 nan 0.000 0.479 533 R N 0.592 121.235 120.500 0.238 0.000 2.148 533 R HA -0.116 4.223 4.340 -0.002 0.000 0.223 533 R C 1.677 178.031 176.300 0.091 0.000 1.088 533 R CA 1.252 57.431 56.100 0.131 0.000 0.985 533 R CB -0.770 29.583 30.300 0.089 0.000 0.880 533 R HN 0.366 nan 8.270 nan 0.000 0.451 534 Q N 1.251 121.104 119.800 0.088 0.000 2.062 534 Q HA 0.037 4.376 4.340 -0.002 0.000 0.196 534 Q C 2.158 178.196 176.000 0.063 0.000 0.967 534 Q CA 1.627 57.464 55.803 0.057 0.000 0.832 534 Q CB 0.055 28.815 28.738 0.036 0.000 0.899 534 Q HN 0.599 nan 8.270 nan 0.000 0.442 535 I N -4.174 116.453 120.570 0.094 0.000 4.227 535 I HA 0.455 4.624 4.170 -0.002 0.000 0.334 535 I C 0.719 176.897 176.117 0.102 0.000 1.341 535 I CA 0.059 61.413 61.300 0.090 0.000 1.123 535 I CB 0.430 38.488 38.000 0.097 0.000 1.097 535 I HN 0.131 nan 8.210 nan 0.000 0.399 536 G N 2.757 111.625 108.800 0.114 0.000 2.860 536 G HA2 -0.176 3.784 3.960 -0.002 0.000 0.553 536 G HA3 -0.176 3.784 3.960 -0.002 0.000 0.553 536 G C -0.755 174.177 174.900 0.054 0.000 1.439 536 G CA -0.396 44.748 45.100 0.073 0.000 0.879 536 G HN 0.326 nan 8.290 nan 0.000 0.545 537 I N 0.692 121.249 120.570 -0.021 0.000 2.362 537 I HA 0.240 4.409 4.170 -0.002 0.000 0.289 537 I C 0.235 176.404 176.117 0.088 0.000 0.994 537 I CA -0.829 60.455 61.300 -0.028 0.000 1.158 537 I CB 1.639 39.508 38.000 -0.218 0.000 1.315 537 I HN 0.575 nan 8.210 nan 0.000 0.451 538 Y N 6.276 126.615 120.300 0.064 0.000 2.745 538 Y HA 0.031 4.580 4.550 -0.002 0.000 0.335 538 Y C 0.313 176.244 175.900 0.051 0.000 1.212 538 Y CA 0.415 58.583 58.100 0.113 0.000 1.535 538 Y CB 0.392 39.017 38.460 0.275 0.000 1.220 538 Y HN 0.499 nan 8.280 nan 0.000 0.531 539 S N 8.562 124.031 115.700 -0.384 0.000 2.385 539 S HA 0.392 4.861 4.470 -0.002 0.000 0.191 539 S C -2.735 171.619 174.600 -0.410 0.000 1.196 539 S CA -1.110 56.856 58.200 -0.390 0.000 1.178 539 S CB 0.242 63.329 63.200 -0.188 0.000 1.258 539 S HN 0.535 nan 8.310 nan 0.000 0.430 559 D N -0.375 119.994 120.400 -0.053 0.000 2.744 559 D HA 0.100 4.739 4.640 -0.002 0.000 0.304 559 D C 0.976 177.228 176.300 -0.081 0.000 1.179 559 D CA -0.647 53.304 54.000 -0.082 0.000 1.024 559 D CB 0.280 41.044 40.800 -0.059 0.000 1.453 559 D HN 0.047 nan 8.370 nan 0.000 0.529 560 E N -0.031 120.087 120.200 -0.136 0.000 2.463 560 E HA -0.160 4.189 4.350 -0.002 0.000 0.201 560 E C 0.491 177.169 176.600 0.129 0.000 1.045 560 E CA 0.797 57.132 56.400 -0.108 0.000 0.872 560 E CB -0.179 29.279 29.700 -0.403 0.000 0.797 560 E HN 0.318 nan 8.360 nan 0.000 0.538 561 K N 0.933 121.372 120.400 0.064 0.000 2.367 561 K HA 0.163 4.482 4.320 -0.002 0.000 0.194 561 K C 0.875 177.526 176.600 0.084 0.000 1.027 561 K CA 0.521 56.837 56.287 0.047 0.000 1.075 561 K CB 0.467 32.970 32.500 0.005 0.000 0.845 561 K HN 0.161 nan 8.250 nan 0.000 0.529 562 G N 1.548 110.443 108.800 0.158 0.000 2.353 562 G HA2 -0.126 3.833 3.960 -0.002 0.000 0.239 562 G HA3 -0.126 3.833 3.960 -0.002 0.000 0.239 562 G C 0.574 175.626 174.900 0.254 0.000 1.295 562 G CA -0.079 45.129 45.100 0.180 0.000 0.884 562 G HN 0.246 nan 8.290 nan 0.000 0.537 563 Q N 1.523 121.446 119.800 0.204 0.000 2.259 563 Q HA 0.122 4.461 4.340 -0.002 0.000 0.201 563 Q C 1.016 177.217 176.000 0.335 0.000 0.938 563 Q CA 0.045 55.999 55.803 0.252 0.000 0.872 563 Q CB 0.047 28.885 28.738 0.167 0.000 0.971 563 Q HN 0.660 nan 8.270 nan 0.000 0.494 564 I N 2.165 122.891 120.570 0.259 0.000 2.556 564 I HA 0.003 4.172 4.170 -0.002 0.000 0.284 564 I C -0.420 175.834 176.117 0.229 0.000 1.114 564 I CA -0.028 61.418 61.300 0.243 0.000 1.418 564 I CB 0.787 38.927 38.000 0.233 0.000 1.394 564 I HN 0.166 nan 8.210 nan 0.000 0.552 565 L N 6.532 127.867 121.223 0.186 0.000 2.255 565 L HA 0.284 4.623 4.340 -0.002 0.000 0.289 565 L C -0.160 176.811 176.870 0.168 0.000 1.046 565 L CA -0.489 54.444 54.840 0.155 0.000 0.816 565 L CB 1.000 43.084 42.059 0.042 0.000 1.197 565 L HN 0.563 nan 8.230 nan 0.000 0.427 566 Q N 3.014 122.906 119.800 0.153 0.000 2.400 566 Q HA 0.159 4.498 4.340 -0.002 0.000 0.255 566 Q C -0.061 176.019 176.000 0.133 0.000 1.008 566 Q CA -0.109 55.777 55.803 0.138 0.000 0.841 566 Q CB 1.135 29.912 28.738 0.065 0.000 1.220 566 Q HN 0.388 nan 8.270 nan 0.000 0.474 567 E N 3.282 123.564 120.200 0.138 0.000 2.463 567 E HA 0.225 4.574 4.350 -0.002 0.000 0.193 567 E C 0.626 177.297 176.600 0.118 0.000 1.041 567 E CA 0.504 56.979 56.400 0.125 0.000 0.879 567 E CB 0.193 29.932 29.700 0.065 0.000 0.997 567 E HN 0.935 nan 8.360 nan 0.000 0.478 568 G N 1.919 110.795 108.800 0.128 0.000 2.645 568 G HA2 -0.314 3.645 3.960 -0.002 0.000 0.246 568 G HA3 -0.314 3.645 3.960 -0.002 0.000 0.246 568 G C 0.076 175.050 174.900 0.123 0.000 1.322 568 G CA -0.282 44.889 45.100 0.117 0.000 0.898 568 G HN 0.260 nan 8.290 nan 0.000 0.573 569 I N 2.116 122.744 120.570 0.096 0.000 2.352 569 I HA 0.245 4.414 4.170 -0.002 0.000 0.303 569 I C 0.511 176.655 176.117 0.044 0.000 1.194 569 I CA 0.211 61.559 61.300 0.079 0.000 1.518 569 I CB -0.168 37.860 38.000 0.048 0.000 1.489 569 I HN 0.429 nan 8.210 nan 0.000 0.702 570 N N 4.273 123.004 118.700 0.052 0.000 2.976 570 N HA 0.279 5.018 4.740 -0.002 0.000 0.220 570 N C 0.332 175.828 175.510 -0.023 0.000 1.428 570 N CA -0.060 52.993 53.050 0.004 0.000 0.748 570 N CB 1.187 39.684 38.487 0.017 0.000 1.484 570 N HN 0.424 nan 8.380 nan 0.000 0.578 571 A N 1.796 124.609 122.820 -0.010 0.000 1.877 571 A HA -0.133 4.186 4.320 -0.002 0.000 0.216 571 A C 1.884 179.397 177.584 -0.118 0.000 1.186 571 A CA 1.302 53.341 52.037 0.003 0.000 0.620 571 A CB -0.370 18.632 19.000 0.003 0.000 0.822 571 A HN 0.526 nan 8.150 nan 0.000 0.443 572 L N 0.105 121.248 121.223 -0.133 0.000 2.017 572 L HA -0.009 4.330 4.340 -0.002 0.000 0.208 572 L C 2.409 179.085 176.870 -0.324 0.000 1.073 572 L CA 2.423 57.158 54.840 -0.175 0.000 0.745 572 L CB -1.117 40.878 42.059 -0.107 0.000 0.894 572 L HN 0.299 nan 8.230 nan 0.000 0.432 573 G N -1.060 107.499 108.800 -0.403 0.000 2.440 573 G HA2 -0.269 3.690 3.960 -0.002 0.000 0.218 573 G HA3 -0.269 3.690 3.960 -0.002 0.000 0.218 573 G C 1.600 175.937 174.900 -0.938 0.000 1.154 573 G CA 0.882 45.409 45.100 -0.955 0.000 0.767 573 G HN 0.653 nan 8.290 nan 0.000 0.552 574 A N 0.909 123.392 122.820 -0.562 0.000 1.902 574 A HA 0.153 4.472 4.320 -0.002 0.000 0.217 574 A C 2.736 179.870 177.584 -0.750 0.000 1.181 574 A CA 2.099 53.744 52.037 -0.654 0.000 0.623 574 A CB -1.132 17.372 19.000 -0.827 0.000 0.818 574 A HN 0.555 nan 8.150 nan 0.000 0.443 575 G N -0.981 107.442 108.800 -0.629 0.000 2.442 575 G HA2 -0.284 3.675 3.960 -0.002 0.000 0.219 575 G HA3 -0.284 3.675 3.960 -0.002 0.000 0.219 575 G C 1.560 176.357 174.900 -0.172 0.000 1.141 575 G CA 1.343 46.221 45.100 -0.370 0.000 0.763 575 G HN 0.525 nan 8.290 nan 0.000 0.554 576 C N 0.317 119.447 119.300 -0.284 0.000 2.440 576 C HA 0.065 4.524 4.460 -0.002 0.000 0.278 576 C C 3.374 178.316 174.990 -0.081 0.000 1.295 576 C CA 1.097 60.022 59.018 -0.156 0.000 1.738 576 C CB -0.753 26.858 27.740 -0.214 0.000 1.987 576 C HN 0.409 nan 8.230 nan 0.000 0.492 577 S N -0.676 114.923 115.700 -0.168 0.000 2.368 577 S HA -0.210 4.259 4.470 -0.002 0.000 0.224 577 S C 1.438 175.960 174.600 -0.129 0.000 1.029 577 S CA 1.405 59.576 58.200 -0.048 0.000 0.988 577 S CB -0.399 62.792 63.200 -0.015 0.000 0.838 577 S HN 0.831 nan 8.310 nan 0.000 0.462 578 W N 2.069 123.194 121.300 -0.292 0.000 2.338 578 W HA -0.142 4.516 4.660 -0.002 0.000 0.304 578 W C 1.858 178.245 176.519 -0.219 0.000 1.212 578 W CA 1.104 58.312 57.345 -0.228 0.000 1.264 578 W CB -0.501 28.845 29.460 -0.190 0.000 1.142 578 W HN 0.264 nan 8.180 nan 0.000 0.512 579 L N 1.616 122.887 121.223 0.079 0.000 2.046 579 L HA -0.045 4.294 4.340 -0.002 0.000 0.208 579 L C 2.437 179.154 176.870 -0.254 0.000 1.077 579 L CA 2.728 57.516 54.840 -0.086 0.000 0.747 579 L CB -1.451 40.677 42.059 0.115 0.000 0.896 579 L HN 0.075 nan 8.230 nan 0.000 0.432 580 A N -0.467 122.190 122.820 -0.273 0.000 1.902 580 A HA -0.104 4.215 4.320 -0.002 0.000 0.217 580 A C 2.448 179.523 177.584 -0.849 0.000 1.181 580 A CA 1.918 53.712 52.037 -0.405 0.000 0.623 580 A CB -1.185 17.601 19.000 -0.357 0.000 0.818 580 A HN 0.578 nan 8.150 nan 0.000 0.443 581 A N -0.250 121.875 122.820 -1.157 0.000 1.898 581 A HA 0.229 4.548 4.320 -0.002 0.000 0.216 581 A C 2.436 179.728 177.584 -0.488 0.000 1.181 581 A CA 1.851 53.261 52.037 -1.044 0.000 0.620 581 A CB -0.977 17.628 19.000 -0.659 0.000 0.819 581 A HN 1.116 nan 8.150 nan 0.000 0.442 582 A N -0.509 121.952 122.820 -0.599 0.000 2.172 582 A HA 0.024 4.343 4.320 -0.002 0.000 0.216 582 A C 1.978 179.494 177.584 -0.114 0.000 1.154 582 A CA 2.062 53.805 52.037 -0.489 0.000 0.701 582 A CB -0.810 17.505 19.000 -1.142 0.000 0.789 582 A HN 0.793 nan 8.150 nan 0.000 0.465 583 T N -4.808 109.639 114.554 -0.180 0.000 3.084 583 T HA 0.177 4.526 4.350 -0.002 0.000 0.270 583 T C 1.501 176.041 174.700 -0.267 0.000 1.008 583 T CA 0.761 62.732 62.100 -0.214 0.000 0.900 583 T CB 0.090 68.865 68.868 -0.155 0.000 1.084 583 T HN 0.201 nan 8.240 nan 0.000 0.538 584 S N 1.658 117.297 115.700 -0.101 0.000 2.400 584 S HA -0.176 4.293 4.470 -0.002 0.000 0.232 584 S C 1.919 176.529 174.600 0.016 0.000 1.025 584 S CA 1.504 59.723 58.200 0.032 0.000 0.993 584 S CB -0.708 62.614 63.200 0.204 0.000 0.808 584 S HN 0.822 nan 8.310 nan 0.000 0.478 585 Y N 1.002 121.348 120.300 0.077 0.000 2.256 585 Y HA 0.016 4.564 4.550 -0.002 0.000 0.288 585 Y C 2.565 178.561 175.900 0.160 0.000 1.155 585 Y CA 1.552 59.719 58.100 0.110 0.000 1.203 585 Y CB -1.142 37.407 38.460 0.149 0.000 0.980 585 Y HN 0.316 nan 8.280 nan 0.000 0.530 586 S N -0.292 114.948 115.700 -0.766 0.000 2.371 586 S HA -0.095 4.374 4.470 -0.002 0.000 0.219 586 S C 1.921 176.408 174.600 -0.188 0.000 1.040 586 S CA 1.220 59.153 58.200 -0.445 0.000 0.958 586 S CB -0.936 61.858 63.200 -0.676 0.000 0.860 586 S HN 0.592 nan 8.310 nan 0.000 0.487 587 T N 2.936 117.375 114.554 -0.192 0.000 2.684 587 T HA -0.029 4.320 4.350 -0.002 0.000 0.267 587 T C 1.132 175.850 174.700 0.030 0.000 1.036 587 T CA 1.570 63.645 62.100 -0.041 0.000 1.148 587 T CB -0.317 68.585 68.868 0.057 0.000 0.863 587 T HN 0.475 nan 8.240 nan 0.000 0.436 588 N N 0.600 119.328 118.700 0.048 0.000 2.200 588 N HA 0.107 4.846 4.740 -0.002 0.000 0.224 588 N C 0.140 175.695 175.510 0.075 0.000 1.179 588 N CA -0.012 53.079 53.050 0.068 0.000 0.877 588 N CB 0.298 38.839 38.487 0.090 0.000 1.072 588 N HN 0.242 nan 8.380 nan 0.000 0.519 589 N N 0.837 119.592 118.700 0.091 0.000 2.721 589 N HA -0.220 4.519 4.740 -0.002 0.000 0.249 589 N C -1.249 174.353 175.510 0.154 0.000 1.072 589 N CA 0.320 53.462 53.050 0.153 0.000 0.710 589 N CB -1.257 37.308 38.487 0.129 0.000 0.993 589 N HN 0.321 nan 8.380 nan 0.000 0.547 590 L N 0.531 121.830 121.223 0.126 0.000 2.485 590 L HA 0.559 4.898 4.340 -0.002 0.000 0.260 590 L C -2.370 174.532 176.870 0.055 0.000 0.998 590 L CA -1.604 53.284 54.840 0.080 0.000 0.883 590 L CB 1.443 43.544 42.059 0.069 0.000 1.196 590 L HN -0.039 nan 8.230 nan 0.000 0.443 591 P HA 0.165 nan 4.420 nan 0.000 0.267 591 P C -1.108 176.093 177.300 -0.164 0.000 1.205 591 P CA 0.040 63.048 63.100 -0.154 0.000 0.765 591 P CB 0.928 32.228 31.700 -0.668 0.000 0.828 592 M N 3.872 123.404 119.600 -0.114 0.000 2.457 592 M HA 0.454 4.933 4.480 -0.002 0.000 0.300 592 M C -0.094 176.055 176.300 -0.252 0.000 1.141 592 M CA -0.755 54.496 55.300 -0.081 0.000 0.901 592 M CB 2.104 34.804 32.600 0.167 0.000 1.687 592 M HN 0.232 nan 8.290 nan 0.000 0.449 593 I N 4.884 125.318 120.570 -0.227 0.000 2.428 593 I HA 0.287 4.456 4.170 -0.002 0.000 0.279 593 I C -2.165 173.921 176.117 -0.051 0.000 1.040 593 I CA -1.573 59.578 61.300 -0.249 0.000 1.171 593 I CB 1.560 39.410 38.000 -0.251 0.000 1.312 593 I HN 0.235 nan 8.210 nan 0.000 0.470 594 P HA 0.257 nan 4.420 nan 0.000 0.279 594 P C -1.062 176.326 177.300 0.148 0.000 1.239 594 P CA -0.134 62.988 63.100 0.037 0.000 0.789 594 P CB 0.823 32.369 31.700 -0.257 0.000 0.933 595 F N 2.712 122.961 119.950 0.498 0.000 2.513 595 F HA 0.251 4.778 4.527 -0.001 0.000 0.358 595 F C -0.136 175.990 175.800 0.544 0.000 1.118 595 F CA -0.763 57.568 58.000 0.551 0.000 1.037 595 F CB 1.138 40.419 39.000 0.468 0.000 1.276 595 F HN 0.244 nan 8.300 nan 0.000 0.446 596 Y N 5.490 126.076 120.300 0.478 0.000 2.353 596 Y HA 0.648 5.196 4.550 -0.002 0.000 0.340 596 Y C -1.273 174.740 175.900 0.188 0.000 0.972 596 Y CA -2.172 56.102 58.100 0.291 0.000 1.157 596 Y CB 0.877 39.396 38.460 0.098 0.000 1.157 596 Y HN 0.524 nan 8.280 nan 0.000 0.495 597 I N 9.518 130.123 120.570 0.058 0.000 2.404 597 I HA 0.547 4.716 4.170 -0.002 0.000 0.293 597 I C -1.683 174.057 176.117 -0.628 0.000 0.992 597 I CA -0.623 60.375 61.300 -0.503 0.000 1.149 597 I CB 0.582 38.310 38.000 -0.454 0.000 1.315 597 I HN 0.551 nan 8.210 nan 0.000 0.446 598 Y N 3.844 123.599 120.300 -0.908 0.000 2.750 598 Y HA 0.502 5.051 4.550 -0.002 0.000 0.335 598 Y C -1.756 173.946 175.900 -0.331 0.000 1.252 598 Y CA -1.649 56.140 58.100 -0.518 0.000 1.064 598 Y CB 0.193 38.403 38.460 -0.416 0.000 1.321 598 Y HN 0.401 nan 8.280 nan 0.000 0.451 599 Y N 2.173 122.617 120.300 0.241 0.000 2.729 599 Y HA 0.106 4.655 4.550 -0.002 0.000 0.331 599 Y C 1.936 177.813 175.900 -0.038 0.000 1.208 599 Y CA 1.142 59.339 58.100 0.161 0.000 1.521 599 Y CB 0.855 39.439 38.460 0.206 0.000 1.233 599 Y HN 0.805 nan 8.280 nan 0.000 0.539 600 S N 2.231 117.886 115.700 -0.075 0.000 2.402 600 S HA -0.353 4.117 4.470 -0.002 0.000 0.233 600 S C 1.935 176.568 174.600 0.055 0.000 1.030 600 S CA 1.561 59.760 58.200 -0.001 0.000 1.003 600 S CB -0.353 62.848 63.200 0.002 0.000 0.813 600 S HN 0.836 nan 8.310 nan 0.000 0.477 601 M N 1.110 120.612 119.600 -0.164 0.000 2.202 601 M HA 0.128 4.607 4.480 -0.002 0.000 0.262 601 M C 0.426 176.561 176.300 -0.274 0.000 1.063 601 M CA 1.350 56.431 55.300 -0.365 0.000 1.097 601 M CB -0.706 31.463 32.600 -0.719 0.000 1.382 601 M HN 0.328 nan 8.290 nan 0.000 0.413 602 F N -0.489 119.562 119.950 0.168 0.000 2.660 602 F HA 0.438 4.964 4.527 -0.002 0.000 0.297 602 F C 1.567 177.339 175.800 -0.046 0.000 1.132 602 F CA -0.376 57.669 58.000 0.077 0.000 1.372 602 F CB -1.579 37.475 39.000 0.089 0.000 1.003 602 F HN 0.115 nan 8.300 nan 0.000 0.524 603 G N -0.161 108.692 108.800 0.089 0.000 3.199 603 G HA2 0.026 3.985 3.960 -0.002 0.000 0.184 603 G HA3 0.026 3.985 3.960 -0.002 0.000 0.184 603 G C 1.123 175.844 174.900 -0.298 0.000 1.974 603 G CA -0.107 44.828 45.100 -0.276 0.000 0.885 603 G HN 0.115 nan 8.290 nan 0.000 0.575 604 F N 0.867 120.719 119.950 -0.164 0.000 2.192 604 F HA -0.103 4.423 4.527 -0.001 0.000 0.301 604 F C 2.906 178.684 175.800 -0.037 0.000 1.079 604 F CA 1.757 59.684 58.000 -0.122 0.000 1.303 604 F CB -0.270 38.630 39.000 -0.165 0.000 1.024 604 F HN 0.298 nan 8.300 nan 0.000 0.494 605 Q N 0.191 120.086 119.800 0.158 0.000 2.124 605 Q HA -0.231 4.108 4.340 -0.002 0.000 0.202 605 Q C 2.250 178.317 176.000 0.111 0.000 0.977 605 Q CA 1.480 57.371 55.803 0.147 0.000 0.850 605 Q CB 0.023 28.866 28.738 0.173 0.000 0.901 605 Q HN 0.174 nan 8.270 nan 0.000 0.429 606 R N 0.443 120.996 120.500 0.089 0.000 2.175 606 R HA 0.114 4.453 4.340 -0.002 0.000 0.202 606 R C 1.454 177.753 176.300 -0.002 0.000 1.018 606 R CA 1.034 57.169 56.100 0.058 0.000 1.029 606 R CB 0.205 30.560 30.300 0.092 0.000 0.959 606 R HN 0.468 nan 8.270 nan 0.000 0.480 607 I N -3.255 117.283 120.570 -0.053 0.000 3.707 607 I HA 0.513 4.682 4.170 -0.002 0.000 0.330 607 I C 1.001 177.089 176.117 -0.049 0.000 1.572 607 I CA -0.141 61.112 61.300 -0.078 0.000 1.104 607 I CB 0.788 38.692 38.000 -0.160 0.000 1.240 607 I HN 0.044 nan 8.210 nan 0.000 0.475 608 G N 1.437 110.252 108.800 0.025 0.000 2.475 608 G HA2 -0.323 3.636 3.960 -0.002 0.000 0.220 608 G HA3 -0.323 3.636 3.960 -0.002 0.000 0.220 608 G C 1.129 176.129 174.900 0.166 0.000 1.125 608 G CA 1.461 46.640 45.100 0.131 0.000 0.755 608 G HN 0.476 nan 8.290 nan 0.000 0.565 609 D N -0.498 119.967 120.400 0.109 0.000 2.224 609 D HA -0.026 4.613 4.640 -0.002 0.000 0.205 609 D C 2.301 178.713 176.300 0.186 0.000 0.965 609 D CA 0.239 54.322 54.000 0.139 0.000 0.852 609 D CB -0.094 40.751 40.800 0.075 0.000 0.947 609 D HN 0.229 nan 8.370 nan 0.000 0.494 610 L N -0.329 120.961 121.223 0.113 0.000 2.131 610 L HA -0.021 4.319 4.340 -0.002 0.000 0.206 610 L C 2.095 179.041 176.870 0.126 0.000 1.087 610 L CA 1.228 56.127 54.840 0.099 0.000 0.767 610 L CB -0.365 41.702 42.059 0.012 0.000 0.917 610 L HN 0.103 nan 8.230 nan 0.000 0.441 611 C N -1.241 118.126 119.300 0.111 0.000 2.425 611 C HA -0.190 4.269 4.460 -0.002 0.000 0.277 611 C C 2.521 177.735 174.990 0.373 0.000 1.280 611 C CA 0.670 59.793 59.018 0.175 0.000 1.744 611 C CB -1.401 26.454 27.740 0.190 0.000 1.989 611 C HN 0.803 nan 8.230 nan 0.000 0.491 612 W N 1.580 122.995 121.300 0.191 0.000 2.381 612 W HA -0.100 4.559 4.660 -0.002 0.000 0.301 612 W C 2.391 179.017 176.519 0.179 0.000 1.205 612 W CA 1.634 59.087 57.345 0.179 0.000 1.285 612 W CB -0.432 29.102 29.460 0.123 0.000 1.133 612 W HN 0.334 nan 8.180 nan 0.000 0.521 613 A N 0.662 123.679 122.820 0.330 0.000 1.969 613 A HA -0.010 4.309 4.320 -0.002 0.000 0.218 613 A C 2.100 179.789 177.584 0.175 0.000 1.169 613 A CA 2.043 54.223 52.037 0.238 0.000 0.635 613 A CB -1.101 18.050 19.000 0.252 0.000 0.810 613 A HN 0.265 nan 8.150 nan 0.000 0.445 614 A N -0.389 122.546 122.820 0.192 0.000 1.930 614 A HA 0.155 4.475 4.320 -0.002 0.000 0.217 614 A C 2.337 180.062 177.584 0.234 0.000 1.175 614 A CA 1.751 53.904 52.037 0.192 0.000 0.627 614 A CB -1.192 17.910 19.000 0.170 0.000 0.815 614 A HN 0.657 nan 8.150 nan 0.000 0.443 615 G N -0.335 108.615 108.800 0.250 0.000 2.402 615 G HA2 -0.257 3.702 3.960 -0.002 0.000 0.216 615 G HA3 -0.257 3.702 3.960 -0.002 0.000 0.216 615 G C 1.344 176.249 174.900 0.008 0.000 1.162 615 G CA 1.292 46.486 45.100 0.158 0.000 0.777 615 G HN 0.493 nan 8.290 nan 0.000 0.539 616 D N 0.105 120.478 120.400 -0.045 0.000 2.144 616 D HA -0.095 4.544 4.640 -0.002 0.000 0.199 616 D C 2.236 178.584 176.300 0.080 0.000 0.984 616 D CA 0.786 54.788 54.000 0.003 0.000 0.834 616 D CB -0.211 40.632 40.800 0.072 0.000 0.955 616 D HN 0.420 nan 8.370 nan 0.000 0.465 617 Q N -0.466 119.395 119.800 0.101 0.000 2.415 617 Q HA 0.013 4.352 4.340 -0.002 0.000 0.206 617 Q C -0.240 175.810 176.000 0.083 0.000 0.946 617 Q CA 0.024 55.877 55.803 0.082 0.000 0.951 617 Q CB 0.135 28.932 28.738 0.098 0.000 1.026 617 Q HN 0.149 nan 8.270 nan 0.000 0.510 618 Q N -1.491 118.381 119.800 0.120 0.000 2.468 618 Q HA -0.211 4.128 4.340 -0.002 0.000 0.289 618 Q C -0.595 175.541 176.000 0.226 0.000 1.299 618 Q CA 0.939 56.843 55.803 0.167 0.000 0.838 618 Q CB -2.354 26.492 28.738 0.180 0.000 1.195 618 Q HN 0.484 nan 8.270 nan 0.000 0.456 619 A N 1.171 124.108 122.820 0.195 0.000 2.511 619 A HA 0.357 4.676 4.320 -0.002 0.000 0.242 619 A C 0.452 178.120 177.584 0.140 0.000 1.069 619 A CA 0.280 52.370 52.037 0.087 0.000 0.763 619 A CB 0.387 19.343 19.000 -0.073 0.000 1.001 619 A HN 0.321 nan 8.150 nan 0.000 0.498 620 R N 1.856 122.374 120.500 0.029 0.000 2.412 620 R HA 0.559 4.898 4.340 -0.002 0.000 0.304 620 R C 0.174 176.446 176.300 -0.047 0.000 1.066 620 R CA 0.176 56.248 56.100 -0.047 0.000 0.923 620 R CB 1.807 31.868 30.300 -0.398 0.000 1.156 620 R HN 1.039 nan 8.270 nan 0.000 0.513 621 G N 1.624 110.404 108.800 -0.032 0.000 2.490 621 G HA2 0.484 4.443 3.960 -0.002 0.000 0.308 621 G HA3 0.484 4.443 3.960 -0.002 0.000 0.308 621 G C -1.806 173.167 174.900 0.122 0.000 1.286 621 G CA -0.586 44.485 45.100 -0.050 0.000 0.825 621 G HN 0.211 nan 8.290 nan 0.000 0.479 622 F N 0.182 120.384 119.950 0.420 0.000 2.507 622 F HA 0.645 5.171 4.527 -0.001 0.000 0.325 622 F C 0.126 176.207 175.800 0.468 0.000 1.116 622 F CA -0.684 57.565 58.000 0.416 0.000 0.930 622 F CB 2.244 41.308 39.000 0.107 0.000 1.146 622 F HN 0.100 nan 8.300 nan 0.000 0.447 623 L N 5.203 126.705 121.223 0.464 0.000 2.287 623 L HA 0.497 4.836 4.340 -0.002 0.000 0.287 623 L C -0.820 176.192 176.870 0.236 0.000 1.022 623 L CA -0.656 54.286 54.840 0.171 0.000 0.814 623 L CB 1.269 43.330 42.059 0.003 0.000 1.217 623 L HN 0.432 nan 8.230 nan 0.000 0.420 624 I N 3.214 123.753 120.570 -0.052 0.000 2.328 624 I HA 0.237 4.406 4.170 -0.002 0.000 0.287 624 I C 0.859 176.543 176.117 -0.723 0.000 1.012 624 I CA -0.218 60.854 61.300 -0.380 0.000 1.195 624 I CB 1.271 38.841 38.000 -0.718 0.000 1.350 624 I HN 0.586 nan 8.210 nan 0.000 0.464 625 G N 5.592 114.076 108.800 -0.526 0.000 2.621 625 G HA2 0.440 4.399 3.960 -0.002 0.000 0.306 625 G HA3 0.440 4.399 3.960 -0.002 0.000 0.306 625 G C 0.557 175.148 174.900 -0.515 0.000 0.893 625 G CA -0.301 44.451 45.100 -0.581 0.000 1.486 625 G HN 0.744 nan 8.290 nan 0.000 0.477 626 G N 1.380 109.761 108.800 -0.698 0.000 2.616 626 G HA2 0.457 4.416 3.960 -0.002 0.000 0.268 626 G HA3 0.457 4.416 3.960 -0.002 0.000 0.268 626 G C 0.959 175.812 174.900 -0.078 0.000 1.213 626 G CA 0.456 45.328 45.100 -0.381 0.000 0.926 626 G HN 1.614 nan 8.290 nan 0.000 0.523 627 T N -2.492 112.105 114.554 0.072 0.000 3.558 627 T HA -0.196 4.153 4.350 -0.002 0.000 0.391 627 T C 0.561 175.282 174.700 0.036 0.000 0.766 627 T CA 0.837 62.974 62.100 0.061 0.000 1.951 627 T CB -2.552 66.356 68.868 0.067 0.000 1.743 627 T HN 1.777 nan 8.240 nan 0.000 0.688 628 S N -0.242 115.460 115.700 0.004 0.000 2.707 628 S HA 0.801 5.270 4.470 -0.002 0.000 0.276 628 S C 0.763 175.334 174.600 -0.048 0.000 1.179 628 S CA -0.084 58.116 58.200 -0.000 0.000 0.992 628 S CB 1.620 64.856 63.200 0.061 0.000 1.030 628 S HN 2.447 nan 8.310 nan 0.000 0.554 629 G N 0.736 109.412 108.800 -0.207 0.000 3.190 629 G HA2 -0.116 3.843 3.960 -0.002 0.000 0.686 629 G HA3 -0.116 3.843 3.960 -0.002 0.000 0.686 629 G C -0.020 174.666 174.900 -0.357 0.000 1.033 629 G CA -0.032 44.809 45.100 -0.431 0.000 0.797 629 G HN 0.887 nan 8.290 nan 0.000 0.567 630 R N 0.748 120.951 120.500 -0.495 0.000 2.096 630 R HA -0.115 4.224 4.340 -0.002 0.000 0.240 630 R C 3.032 179.181 176.300 -0.250 0.000 1.139 630 R CA 3.398 59.251 56.100 -0.411 0.000 0.952 630 R CB -0.435 29.453 30.300 -0.687 0.000 0.854 630 R HN 1.110 nan 8.270 nan 0.000 0.436 631 T N -4.118 110.310 114.554 -0.211 0.000 3.081 631 T HA 0.058 4.407 4.350 -0.002 0.000 0.255 631 T C 1.559 176.257 174.700 -0.003 0.000 1.113 631 T CA 1.047 63.124 62.100 -0.038 0.000 1.082 631 T CB 0.044 68.906 68.868 -0.009 0.000 0.939 631 T HN 0.154 nan 8.240 nan 0.000 0.506 632 T N 1.931 116.468 114.554 -0.029 0.000 2.896 632 T HA 0.199 4.548 4.350 -0.002 0.000 0.263 632 T C 0.743 175.461 174.700 0.031 0.000 1.050 632 T CA 0.255 62.367 62.100 0.019 0.000 1.140 632 T CB -0.254 68.632 68.868 0.030 0.000 0.877 632 T HN 0.254 nan 8.240 nan 0.000 0.457 633 L N 4.468 125.704 121.223 0.022 0.000 2.648 633 L HA 0.291 4.630 4.340 -0.002 0.000 0.238 633 L C 1.355 178.251 176.870 0.043 0.000 1.316 633 L CA -0.568 54.298 54.840 0.044 0.000 1.241 633 L CB -0.711 41.394 42.059 0.077 0.000 1.499 633 L HN 0.111 nan 8.230 nan 0.000 0.411 634 N N 0.734 119.460 118.700 0.044 0.000 2.018 634 N HA -0.216 4.523 4.740 -0.002 0.000 0.196 634 N C 1.460 176.997 175.510 0.045 0.000 1.043 634 N CA 1.741 54.823 53.050 0.054 0.000 0.856 634 N CB -0.822 37.699 38.487 0.056 0.000 1.042 634 N HN 0.472 nan 8.380 nan 0.000 0.423 635 G N 0.421 109.235 108.800 0.024 0.000 2.534 635 G HA2 -0.141 3.818 3.960 -0.002 0.000 0.217 635 G HA3 -0.141 3.818 3.960 -0.002 0.000 0.217 635 G C 1.447 176.341 174.900 -0.010 0.000 1.128 635 G CA 0.169 45.275 45.100 0.009 0.000 0.784 635 G HN 0.270 nan 8.290 nan 0.000 0.542 636 E N 0.480 120.664 120.200 -0.028 0.000 2.152 636 E HA 0.134 4.483 4.350 -0.002 0.000 0.192 636 E C 1.803 178.414 176.600 0.019 0.000 0.983 636 E CA 0.757 57.097 56.400 -0.099 0.000 0.818 636 E CB -0.276 29.287 29.700 -0.230 0.000 0.758 636 E HN 0.442 nan 8.360 nan 0.000 0.467 637 G N 0.690 109.539 108.800 0.082 0.000 2.681 637 G HA2 -0.317 3.642 3.960 -0.002 0.000 0.220 637 G HA3 -0.317 3.642 3.960 -0.002 0.000 0.220 637 G C 0.596 175.606 174.900 0.183 0.000 1.353 637 G CA -0.085 45.090 45.100 0.124 0.000 0.872 637 G HN 0.270 nan 8.290 nan 0.000 0.557 638 L N -0.230 121.099 121.223 0.176 0.000 2.012 638 L HA -0.247 4.092 4.340 -0.002 0.000 0.236 638 L C 2.843 179.845 176.870 0.220 0.000 1.099 638 L CA 3.282 58.248 54.840 0.210 0.000 0.821 638 L CB -0.346 41.785 42.059 0.121 0.000 0.918 638 L HN 0.762 nan 8.230 nan 0.000 0.445 639 Q N -2.066 117.852 119.800 0.197 0.000 2.515 639 Q HA -0.126 4.213 4.340 -0.002 0.000 0.212 639 Q C 1.074 177.071 176.000 -0.006 0.000 0.970 639 Q CA 0.676 56.564 55.803 0.142 0.000 0.941 639 Q CB 0.084 28.892 28.738 0.116 0.000 0.998 639 Q HN 0.679 nan 8.270 nan 0.000 0.518 640 H N -0.981 118.116 119.070 0.044 0.000 2.800 640 H HA 0.165 4.720 4.556 -0.002 0.000 0.257 640 H C -0.215 175.065 175.328 -0.080 0.000 0.967 640 H CA -0.170 55.828 56.048 -0.084 0.000 1.192 640 H CB 0.801 30.552 29.762 -0.018 0.000 1.441 640 H HN 0.068 nan 8.280 nan 0.000 0.461 641 E N 2.196 122.462 120.200 0.108 0.000 2.104 641 E HA 0.018 4.367 4.350 -0.002 0.000 0.278 641 E C -0.724 175.836 176.600 -0.066 0.000 1.127 641 E CA -0.210 56.201 56.400 0.019 0.000 0.897 641 E CB 0.526 30.251 29.700 0.042 0.000 1.043 641 E HN 0.232 nan 8.360 nan 0.000 0.410 642 D N 2.637 122.943 120.400 -0.157 0.000 2.411 642 D HA 0.150 4.789 4.640 -0.002 0.000 0.225 642 D C 0.511 176.569 176.300 -0.403 0.000 1.156 642 D CA -0.400 53.429 54.000 -0.284 0.000 0.874 642 D CB 0.694 41.358 40.800 -0.228 0.000 1.034 642 D HN 0.481 nan 8.370 nan 0.000 0.502 643 G N 2.868 111.475 108.800 -0.320 0.000 3.575 643 G HA2 0.013 3.972 3.960 -0.002 0.000 0.273 643 G HA3 0.013 3.972 3.960 -0.002 0.000 0.273 643 G C 0.568 175.491 174.900 0.038 0.000 1.053 643 G CA -0.329 44.548 45.100 -0.371 0.000 0.803 643 G HN 0.709 nan 8.290 nan 0.000 0.528 644 H N -1.998 117.117 119.070 0.074 0.000 3.770 644 H HA 0.058 4.613 4.556 -0.001 0.000 0.264 644 H C 1.699 177.075 175.328 0.079 0.000 1.164 644 H CA 0.684 56.793 56.048 0.102 0.000 1.158 644 H CB -0.510 29.252 29.762 -0.000 0.000 1.653 644 H HN 0.223 nan 8.280 nan 0.000 0.795 645 S N 0.899 116.539 115.700 -0.099 0.000 2.383 645 S HA -0.238 4.231 4.470 -0.002 0.000 0.229 645 S C 1.616 176.107 174.600 -0.181 0.000 1.030 645 S CA 1.355 59.514 58.200 -0.068 0.000 1.002 645 S CB -0.863 62.380 63.200 0.072 0.000 0.829 645 S HN 0.487 nan 8.310 nan 0.000 0.467 646 H N 0.981 119.946 119.070 -0.175 0.000 2.457 646 H HA 0.095 4.650 4.556 -0.002 0.000 0.294 646 H C 1.925 177.146 175.328 -0.177 0.000 1.064 646 H CA 1.325 57.187 56.048 -0.310 0.000 1.330 646 H CB -0.099 29.091 29.762 -0.953 0.000 1.395 646 H HN 0.392 nan 8.280 nan 0.000 0.541 647 I N 0.833 121.400 120.570 -0.004 0.000 2.353 647 I HA -0.183 3.987 4.170 -0.002 0.000 0.248 647 I C 2.142 178.238 176.117 -0.035 0.000 1.119 647 I CA 0.991 62.315 61.300 0.040 0.000 1.417 647 I CB -0.820 37.230 38.000 0.083 0.000 1.078 647 I HN 0.254 nan 8.210 nan 0.000 0.421 648 Q N 0.542 120.285 119.800 -0.095 0.000 2.049 648 Q HA -0.125 4.214 4.340 -0.002 0.000 0.198 648 Q C 2.384 178.136 176.000 -0.414 0.000 0.971 648 Q CA 1.963 57.673 55.803 -0.156 0.000 0.833 648 Q CB -0.231 28.472 28.738 -0.059 0.000 0.896 648 Q HN 0.565 nan 8.270 nan 0.000 0.434 649 S N 1.454 116.675 115.700 -0.797 0.000 2.399 649 S HA -0.144 4.325 4.470 -0.002 0.000 0.231 649 S C 1.974 176.323 174.600 -0.418 0.000 1.022 649 S CA 1.209 58.745 58.200 -1.105 0.000 0.983 649 S CB -0.514 61.955 63.200 -1.218 0.000 0.803 649 S HN 0.428 nan 8.310 nan 0.000 0.480 650 L N 1.883 122.987 121.223 -0.198 0.000 2.549 650 L HA 0.189 4.528 4.340 -0.002 0.000 0.229 650 L C 2.112 178.959 176.870 -0.039 0.000 1.158 650 L CA 1.508 56.304 54.840 -0.073 0.000 0.842 650 L CB -1.996 40.073 42.059 0.016 0.000 0.952 650 L HN 0.487 nan 8.230 nan 0.000 0.452 651 T N -2.779 111.759 114.554 -0.026 0.000 3.088 651 T HA 0.234 4.583 4.350 -0.002 0.000 0.259 651 T C 0.806 175.635 174.700 0.214 0.000 1.122 651 T CA 0.107 62.259 62.100 0.087 0.000 1.095 651 T CB -0.639 68.283 68.868 0.089 0.000 0.930 651 T HN 0.323 nan 8.240 nan 0.000 0.508 652 I N 2.754 123.375 120.570 0.085 0.000 2.291 652 I HA 0.268 4.438 4.170 -0.002 0.000 0.290 652 I C -1.610 174.438 176.117 -0.115 0.000 1.050 652 I CA -2.645 58.671 61.300 0.026 0.000 1.245 652 I CB 1.712 39.730 38.000 0.029 0.000 1.405 652 I HN -0.065 nan 8.210 nan 0.000 0.478 653 P HA -0.211 nan 4.420 nan 0.000 0.217 653 P C 0.587 177.784 177.300 -0.172 0.000 1.158 653 P CA 1.494 64.514 63.100 -0.133 0.000 0.887 653 P CB -0.034 31.582 31.700 -0.141 0.000 0.792 654 N N -1.718 116.848 118.700 -0.224 0.000 2.320 654 N HA 0.030 4.769 4.740 -0.002 0.000 0.237 654 N C -0.785 174.478 175.510 -0.411 0.000 1.129 654 N CA -0.314 52.597 53.050 -0.233 0.000 0.854 654 N CB -1.048 37.349 38.487 -0.150 0.000 1.083 654 N HN 0.090 nan 8.380 nan 0.000 0.504 655 C N 1.454 120.471 119.300 -0.473 0.000 2.322 655 C HA 0.607 5.066 4.460 -0.002 0.000 0.324 655 C C -0.600 174.186 174.990 -0.341 0.000 1.284 655 C CA -0.943 57.690 59.018 -0.643 0.000 1.606 655 C CB -0.500 26.891 27.740 -0.582 0.000 2.251 655 C HN 0.313 nan 8.230 nan 0.000 0.502 656 I N 6.083 126.457 120.570 -0.327 0.000 2.312 656 I HA 0.341 4.510 4.170 -0.002 0.000 0.290 656 I C 0.473 176.410 176.117 -0.300 0.000 1.008 656 I CA 0.242 61.301 61.300 -0.402 0.000 1.226 656 I CB 0.982 38.574 38.000 -0.680 0.000 1.371 656 I HN 0.688 nan 8.210 nan 0.000 0.468 657 S N 6.540 122.092 115.700 -0.247 0.000 2.475 657 S HA 0.735 5.204 4.470 -0.002 0.000 0.298 657 S C -0.946 173.531 174.600 -0.206 0.000 1.119 657 S CA -0.437 57.754 58.200 -0.015 0.000 1.085 657 S CB 1.336 64.665 63.200 0.215 0.000 1.028 657 S HN 0.362 nan 8.310 nan 0.000 0.489 658 Y N 0.533 120.907 120.300 0.122 0.000 2.524 658 Y HA 0.422 4.971 4.550 -0.001 0.000 0.347 658 Y C -0.331 175.596 175.900 0.045 0.000 1.005 658 Y CA -0.971 57.166 58.100 0.061 0.000 1.025 658 Y CB 1.777 40.269 38.460 0.053 0.000 1.275 658 Y HN 0.568 nan 8.280 nan 0.000 0.460 659 D N 3.574 124.053 120.400 0.131 0.000 2.613 659 D HA 0.266 4.905 4.640 -0.002 0.000 0.312 659 D C -2.888 173.467 176.300 0.092 0.000 1.202 659 D CA -2.161 51.872 54.000 0.056 0.000 0.825 659 D CB 0.775 41.507 40.800 -0.113 0.000 1.113 659 D HN 0.060 nan 8.370 nan 0.000 0.502 660 P HA 0.153 nan 4.420 nan 0.000 0.271 660 P C 0.149 177.440 177.300 -0.014 0.000 1.218 660 P CA -0.177 62.945 63.100 0.037 0.000 0.780 660 P CB 2.024 33.740 31.700 0.027 0.000 0.901 661 A N 2.534 125.269 122.820 -0.141 0.000 2.014 661 A HA 0.134 4.453 4.320 -0.002 0.000 0.210 661 A C 0.316 177.734 177.584 -0.277 0.000 1.188 661 A CA 0.970 52.835 52.037 -0.286 0.000 0.731 661 A CB -0.430 18.175 19.000 -0.659 0.000 0.858 661 A HN 0.535 nan 8.150 nan 0.000 0.464 662 Y N -2.420 117.836 120.300 -0.073 0.000 2.528 662 Y HA 0.613 5.161 4.550 -0.002 0.000 0.335 662 Y C 1.434 177.183 175.900 -0.252 0.000 1.093 662 Y CA -1.187 56.784 58.100 -0.215 0.000 1.134 662 Y CB 1.239 39.327 38.460 -0.619 0.000 1.253 662 Y HN 0.071 nan 8.280 nan 0.000 0.478 663 A N 1.312 124.150 122.820 0.030 0.000 1.908 663 A HA -0.244 4.075 4.320 -0.002 0.000 0.218 663 A C 1.809 179.406 177.584 0.020 0.000 1.181 663 A CA 2.233 54.278 52.037 0.014 0.000 0.627 663 A CB -1.386 17.635 19.000 0.035 0.000 0.818 663 A HN 0.910 nan 8.150 nan 0.000 0.445 664 Y N -0.348 120.006 120.300 0.090 0.000 2.293 664 Y HA -0.024 4.525 4.550 -0.002 0.000 0.291 664 Y C 1.800 177.719 175.900 0.032 0.000 1.137 664 Y CA 1.139 59.263 58.100 0.039 0.000 1.202 664 Y CB -0.880 37.586 38.460 0.010 0.000 0.990 664 Y HN 0.404 nan 8.280 nan 0.000 0.537 665 E N 0.805 120.942 120.200 -0.106 0.000 2.072 665 E HA -0.119 4.230 4.350 -0.002 0.000 0.191 665 E C 2.292 178.877 176.600 -0.026 0.000 0.985 665 E CA 1.406 57.806 56.400 -0.001 0.000 0.801 665 E CB -0.248 29.430 29.700 -0.037 0.000 0.750 665 E HN 0.373 nan 8.360 nan 0.000 0.452 666 V N 1.659 121.554 119.914 -0.032 0.000 2.287 666 V HA -0.324 3.795 4.120 -0.002 0.000 0.248 666 V C 2.368 178.420 176.094 -0.069 0.000 1.053 666 V CA 1.950 64.237 62.300 -0.022 0.000 1.027 666 V CB -0.812 31.021 31.823 0.018 0.000 0.646 666 V HN 0.340 nan 8.190 nan 0.000 0.447 667 A N -0.214 122.557 122.820 -0.081 0.000 1.865 667 A HA -0.200 4.119 4.320 -0.002 0.000 0.217 667 A C 2.404 179.818 177.584 -0.283 0.000 1.191 667 A CA 2.388 54.289 52.037 -0.227 0.000 0.623 667 A CB -0.870 18.084 19.000 -0.076 0.000 0.826 667 A HN 0.330 nan 8.150 nan 0.000 0.444 668 V N 0.076 119.927 119.914 -0.105 0.000 2.343 668 V HA -0.280 3.839 4.120 -0.002 0.000 0.247 668 V C 2.447 178.518 176.094 -0.039 0.000 1.051 668 V CA 2.122 64.394 62.300 -0.047 0.000 1.036 668 V CB -0.705 31.123 31.823 0.009 0.000 0.654 668 V HN 0.566 nan 8.190 nan 0.000 0.451 669 I N -0.898 119.611 120.570 -0.101 0.000 2.179 669 I HA -0.308 3.861 4.170 -0.002 0.000 0.242 669 I C 2.510 178.633 176.117 0.009 0.000 1.088 669 I CA 1.877 63.085 61.300 -0.152 0.000 1.357 669 I CB -0.286 37.503 38.000 -0.353 0.000 1.051 669 I HN 0.258 nan 8.210 nan 0.000 0.409 670 M N -0.663 118.920 119.600 -0.029 0.000 2.159 670 M HA -0.237 4.242 4.480 -0.002 0.000 0.263 670 M C 2.495 178.773 176.300 -0.037 0.000 1.063 670 M CA 1.570 56.867 55.300 -0.006 0.000 1.110 670 M CB -0.747 31.764 32.600 -0.149 0.000 1.374 670 M HN 0.364 nan 8.290 nan 0.000 0.411 671 H N -0.099 118.809 119.070 -0.270 0.000 2.353 671 H HA -0.193 4.361 4.556 -0.002 0.000 0.300 671 H C 1.436 176.779 175.328 0.024 0.000 1.090 671 H CA 2.176 58.144 56.048 -0.134 0.000 1.327 671 H CB -0.083 29.575 29.762 -0.175 0.000 1.383 671 H HN 0.321 nan 8.280 nan 0.000 0.508 672 D N -0.332 120.037 120.400 -0.052 0.000 2.117 672 D HA -0.074 4.565 4.640 -0.002 0.000 0.197 672 D C 2.444 178.694 176.300 -0.082 0.000 0.987 672 D CA 1.505 55.478 54.000 -0.044 0.000 0.829 672 D CB -0.679 40.187 40.800 0.109 0.000 0.961 672 D HN 0.534 nan 8.370 nan 0.000 0.460 673 G N 0.354 109.021 108.800 -0.222 0.000 2.418 673 G HA2 -0.204 3.755 3.960 -0.002 0.000 0.217 673 G HA3 -0.204 3.755 3.960 -0.002 0.000 0.217 673 G C 1.773 176.528 174.900 -0.241 0.000 1.158 673 G CA 0.408 45.053 45.100 -0.758 0.000 0.771 673 G HN 0.319 nan 8.290 nan 0.000 0.545 674 L N -0.052 121.223 121.223 0.087 0.000 1.989 674 L HA -0.132 4.207 4.340 -0.002 0.000 0.211 674 L C 2.863 179.793 176.870 0.100 0.000 1.071 674 L CA 2.060 57.037 54.840 0.229 0.000 0.749 674 L CB -0.327 41.872 42.059 0.233 0.000 0.890 674 L HN 0.378 nan 8.230 nan 0.000 0.431 675 E N -0.085 120.082 120.200 -0.056 0.000 2.023 675 E HA -0.267 4.082 4.350 -0.002 0.000 0.196 675 E C 2.260 178.845 176.600 -0.025 0.000 1.003 675 E CA 1.557 57.916 56.400 -0.068 0.000 0.809 675 E CB 0.010 29.589 29.700 -0.202 0.000 0.755 675 E HN 0.270 nan 8.360 nan 0.000 0.449 676 R N -0.471 120.002 120.500 -0.045 0.000 2.083 676 R HA -0.136 4.203 4.340 -0.002 0.000 0.237 676 R C 2.535 178.781 176.300 -0.090 0.000 1.137 676 R CA 2.131 58.209 56.100 -0.036 0.000 0.951 676 R CB -0.289 30.024 30.300 0.022 0.000 0.851 676 R HN 0.338 nan 8.270 nan 0.000 0.434 677 M N -1.572 117.939 119.600 -0.149 0.000 2.287 677 M HA -0.059 4.420 4.480 -0.002 0.000 0.266 677 M C 0.798 176.768 176.300 -0.550 0.000 1.079 677 M CA 1.447 56.525 55.300 -0.370 0.000 1.146 677 M CB 0.289 32.623 32.600 -0.444 0.000 1.374 677 M HN 0.113 nan 8.290 nan 0.000 0.435 678 Y N -0.405 119.917 120.300 0.038 0.000 2.557 678 Y HA 0.398 4.947 4.550 -0.001 0.000 0.247 678 Y C 1.238 177.284 175.900 0.245 0.000 1.164 678 Y CA -0.709 57.489 58.100 0.165 0.000 1.218 678 Y CB 0.046 38.526 38.460 0.034 0.000 1.210 678 Y HN 0.031 nan 8.280 nan 0.000 0.529 679 G N -0.172 108.743 108.800 0.193 0.000 2.532 679 G HA2 0.149 4.108 3.960 -0.002 0.000 0.291 679 G HA3 0.149 4.108 3.960 -0.002 0.000 0.291 679 G C 0.532 175.463 174.900 0.051 0.000 1.349 679 G CA -0.372 44.805 45.100 0.128 0.000 1.038 679 G HN 0.253 nan 8.290 nan 0.000 0.518 680 E N -0.687 119.518 120.200 0.008 0.000 2.160 680 E HA -0.159 4.190 4.350 -0.002 0.000 0.195 680 E C 2.183 178.729 176.600 -0.090 0.000 0.991 680 E CA 1.147 57.513 56.400 -0.056 0.000 0.810 680 E CB 0.046 29.726 29.700 -0.033 0.000 0.742 680 E HN 0.523 nan 8.360 nan 0.000 0.466 681 K N 0.880 121.243 120.400 -0.061 0.000 2.103 681 K HA -0.206 4.113 4.320 -0.002 0.000 0.207 681 K C 0.316 176.850 176.600 -0.110 0.000 1.048 681 K CA 1.100 57.345 56.287 -0.071 0.000 0.930 681 K CB 0.081 32.552 32.500 -0.047 0.000 0.716 681 K HN 0.039 nan 8.250 nan 0.000 0.444 682 Q N 1.032 120.750 119.800 -0.137 0.000 2.439 682 Q HA -0.207 4.132 4.340 -0.002 0.000 0.325 682 Q C -0.938 174.954 176.000 -0.180 0.000 1.372 682 Q CA 0.634 56.316 55.803 -0.202 0.000 0.909 682 Q CB -1.385 27.188 28.738 -0.275 0.000 1.167 682 Q HN 0.465 nan 8.270 nan 0.000 0.418 683 E N 0.902 121.014 120.200 -0.147 0.000 2.344 683 E HA 0.038 4.387 4.350 -0.002 0.000 0.270 683 E C -0.107 176.418 176.600 -0.125 0.000 1.021 683 E CA -0.322 56.016 56.400 -0.103 0.000 0.887 683 E CB 0.578 30.243 29.700 -0.058 0.000 0.997 683 E HN 0.171 nan 8.360 nan 0.000 0.429 684 N N 4.688 123.342 118.700 -0.077 0.000 2.807 684 N HA 0.110 4.849 4.740 -0.002 0.000 0.259 684 N C -0.758 174.746 175.510 -0.010 0.000 1.149 684 N CA 0.087 53.112 53.050 -0.041 0.000 1.042 684 N CB 0.465 38.958 38.487 0.009 0.000 1.367 684 N HN 0.305 nan 8.380 nan 0.000 0.516 685 V N -0.859 119.056 119.914 0.002 0.000 3.188 685 V HA 0.741 4.861 4.120 -0.002 0.000 0.305 685 V C -1.244 174.942 176.094 0.152 0.000 1.232 685 V CA -1.174 61.140 62.300 0.023 0.000 1.043 685 V CB 1.858 33.683 31.823 0.003 0.000 1.068 685 V HN 0.319 nan 8.190 nan 0.000 0.439 686 Y N -0.182 120.206 120.300 0.148 0.000 2.576 686 Y HA 0.886 5.435 4.550 -0.001 0.000 0.346 686 Y C -1.602 174.489 175.900 0.318 0.000 1.018 686 Y CA -1.693 56.542 58.100 0.225 0.000 1.050 686 Y CB 1.459 40.143 38.460 0.374 0.000 1.280 686 Y HN 0.654 nan 8.280 nan 0.000 0.474 687 Y N 1.731 122.163 120.300 0.220 0.000 2.387 687 Y HA 0.464 5.013 4.550 -0.001 0.000 0.330 687 Y C -1.007 175.177 175.900 0.473 0.000 1.133 687 Y CA -1.373 56.868 58.100 0.235 0.000 1.152 687 Y CB 1.503 40.007 38.460 0.073 0.000 1.215 687 Y HN 0.698 nan 8.280 nan 0.000 0.466 688 Y N 4.120 124.633 120.300 0.354 0.000 2.329 688 Y HA 0.664 5.213 4.550 -0.002 0.000 0.328 688 Y C -1.544 174.527 175.900 0.285 0.000 0.992 688 Y CA -1.902 56.388 58.100 0.317 0.000 1.151 688 Y CB 0.612 39.247 38.460 0.291 0.000 1.150 688 Y HN 0.481 nan 8.280 nan 0.000 0.450 689 I N 5.967 126.447 120.570 -0.150 0.000 2.466 689 I HA 0.347 4.516 4.170 -0.002 0.000 0.289 689 I C -0.478 175.361 176.117 -0.462 0.000 1.026 689 I CA -0.955 60.249 61.300 -0.160 0.000 1.078 689 I CB 2.395 40.443 38.000 0.081 0.000 1.249 689 I HN 0.629 nan 8.210 nan 0.000 0.429 690 T N 1.282 115.600 114.554 -0.393 0.000 2.806 690 T HA 0.588 4.937 4.350 -0.002 0.000 0.290 690 T C 0.092 174.714 174.700 -0.130 0.000 0.966 690 T CA -0.642 61.277 62.100 -0.302 0.000 1.060 690 T CB 1.341 70.158 68.868 -0.086 0.000 0.927 690 T HN 0.703 nan 8.240 nan 0.000 0.485 691 T N 0.875 115.339 114.554 -0.150 0.000 2.930 691 T HA 0.764 5.113 4.350 -0.002 0.000 0.290 691 T C -0.430 174.250 174.700 -0.033 0.000 1.052 691 T CA -1.114 60.935 62.100 -0.085 0.000 1.017 691 T CB 0.985 69.777 68.868 -0.127 0.000 1.137 691 T HN 0.581 nan 8.240 nan 0.000 0.511 692 L N 1.783 123.004 121.223 -0.003 0.000 2.319 692 L HA 0.557 4.896 4.340 -0.002 0.000 0.267 692 L C 0.755 177.627 176.870 0.004 0.000 1.011 692 L CA -1.195 53.655 54.840 0.016 0.000 0.818 692 L CB 1.563 43.649 42.059 0.045 0.000 1.316 692 L HN 0.884 nan 8.230 nan 0.000 0.432 693 N N -0.354 118.353 118.700 0.012 0.000 2.214 693 N HA 0.018 4.757 4.740 -0.002 0.000 0.214 693 N C -0.196 175.308 175.510 -0.010 0.000 1.132 693 N CA -0.223 52.825 53.050 -0.004 0.000 0.856 693 N CB 0.478 38.958 38.487 -0.011 0.000 1.020 693 N HN 0.714 nan 8.380 nan 0.000 0.509 694 E N 0.732 120.929 120.200 -0.006 0.000 2.166 694 E HA 0.239 4.588 4.350 -0.002 0.000 0.275 694 E C -0.999 175.524 176.600 -0.129 0.000 0.941 694 E CA -0.661 55.749 56.400 0.017 0.000 0.784 694 E CB 0.727 30.516 29.700 0.148 0.000 1.115 694 E HN 0.087 nan 8.360 nan 0.000 0.399 695 N N 3.092 121.744 118.700 -0.080 0.000 2.473 695 N HA 0.316 5.055 4.740 -0.002 0.000 0.291 695 N C -1.106 174.380 175.510 -0.039 0.000 1.083 695 N CA -0.075 52.877 53.050 -0.163 0.000 0.951 695 N CB 0.974 39.429 38.487 -0.054 0.000 1.164 695 N HN 0.427 nan 8.380 nan 0.000 0.480 696 Y N -2.630 117.719 120.300 0.082 0.000 2.750 696 Y HA 0.321 4.871 4.550 -0.001 0.000 0.335 696 Y C -0.409 175.569 175.900 0.130 0.000 1.252 696 Y CA -1.394 56.771 58.100 0.109 0.000 1.064 696 Y CB 0.138 38.666 38.460 0.113 0.000 1.321 696 Y HN 0.496 nan 8.280 nan 0.000 0.451 697 H N 2.463 121.740 119.070 0.344 0.000 3.004 697 H HA 0.354 4.909 4.556 -0.002 0.000 0.316 697 H C -0.713 174.785 175.328 0.284 0.000 1.014 697 H CA 0.307 56.488 56.048 0.222 0.000 1.454 697 H CB 0.517 30.363 29.762 0.139 0.000 1.472 697 H HN 0.575 nan 8.280 nan 0.000 0.571 698 M N 8.986 128.354 119.600 -0.387 0.000 2.047 698 M HA 0.243 4.722 4.480 -0.002 0.000 0.342 698 M C -2.518 173.461 176.300 -0.536 0.000 1.058 698 M CA -2.502 52.637 55.300 -0.267 0.000 0.991 698 M CB 1.135 33.685 32.600 -0.084 0.000 1.474 698 M HN 0.581 nan 8.290 nan 0.000 0.419 699 P HA 0.353 nan 4.420 nan 0.000 0.277 699 P C -0.664 176.607 177.300 -0.048 0.000 1.271 699 P CA -0.484 62.478 63.100 -0.230 0.000 0.795 699 P CB 0.814 32.427 31.700 -0.146 0.000 1.101 700 A N 1.430 124.218 122.820 -0.055 0.000 2.371 700 A HA 0.352 4.671 4.320 -0.002 0.000 0.257 700 A C 0.662 178.004 177.584 -0.404 0.000 1.089 700 A CA -0.569 51.397 52.037 -0.118 0.000 0.794 700 A CB -0.358 18.583 19.000 -0.099 0.000 1.029 700 A HN 0.706 nan 8.150 nan 0.000 0.488 701 M N 2.523 121.680 119.600 -0.740 0.000 2.239 701 M HA 0.274 4.754 4.480 -0.002 0.000 0.348 701 M C -2.249 173.678 176.300 -0.621 0.000 1.239 701 M CA -1.204 53.247 55.300 -1.414 0.000 1.114 701 M CB 0.350 32.349 32.600 -1.000 0.000 1.641 701 M HN 0.335 nan 8.290 nan 0.000 0.453 702 P HA 0.101 nan 4.420 nan 0.000 0.275 702 P C -1.389 175.791 177.300 -0.200 0.000 1.228 702 P CA -0.243 62.724 63.100 -0.220 0.000 0.786 702 P CB 0.517 32.159 31.700 -0.096 0.000 0.927 703 E N 1.356 121.480 120.200 -0.126 0.000 2.414 703 E HA 0.234 4.583 4.350 -0.002 0.000 0.263 703 E C 1.092 177.643 176.600 -0.081 0.000 1.000 703 E CA 0.876 57.217 56.400 -0.099 0.000 0.914 703 E CB -0.401 29.260 29.700 -0.065 0.000 0.948 703 E HN 0.729 nan 8.360 nan 0.000 0.444 704 G N 2.809 111.563 108.800 -0.076 0.000 2.179 704 G HA2 -0.380 3.579 3.960 -0.002 0.000 0.260 704 G HA3 -0.380 3.579 3.960 -0.002 0.000 0.260 704 G C 0.873 175.736 174.900 -0.063 0.000 0.977 704 G CA 0.568 45.638 45.100 -0.050 0.000 0.641 704 G HN 0.778 nan 8.290 nan 0.000 0.533 705 A N 0.040 122.776 122.820 -0.139 0.000 2.168 705 A HA 0.358 4.677 4.320 -0.002 0.000 0.215 705 A C 1.882 179.350 177.584 -0.192 0.000 1.152 705 A CA 1.893 53.790 52.037 -0.233 0.000 0.716 705 A CB -0.268 18.423 19.000 -0.516 0.000 0.794 705 A HN 0.580 nan 8.150 nan 0.000 0.465 706 E N 0.266 120.397 120.200 -0.115 0.000 2.068 706 E HA -0.276 4.073 4.350 -0.002 0.000 0.207 706 E C 1.888 178.483 176.600 -0.010 0.000 1.032 706 E CA 1.813 58.181 56.400 -0.054 0.000 0.839 706 E CB -0.279 29.405 29.700 -0.028 0.000 0.758 706 E HN 0.620 nan 8.360 nan 0.000 0.457 707 E N -0.089 120.116 120.200 0.008 0.000 2.153 707 E HA -0.074 4.275 4.350 -0.002 0.000 0.194 707 E C 2.056 178.677 176.600 0.036 0.000 0.988 707 E CA 1.361 57.772 56.400 0.018 0.000 0.811 707 E CB -0.658 29.055 29.700 0.022 0.000 0.746 707 E HN 0.298 nan 8.360 nan 0.000 0.466 708 G N 0.487 109.355 108.800 0.113 0.000 2.402 708 G HA2 -0.201 3.758 3.960 -0.002 0.000 0.216 708 G HA3 -0.201 3.758 3.960 -0.002 0.000 0.216 708 G C 1.697 176.748 174.900 0.253 0.000 1.162 708 G CA 0.784 46.044 45.100 0.265 0.000 0.777 708 G HN 0.301 nan 8.290 nan 0.000 0.539 709 I N 0.301 120.954 120.570 0.139 0.000 2.163 709 I HA -0.213 3.956 4.170 -0.002 0.000 0.243 709 I C 3.075 179.308 176.117 0.192 0.000 1.085 709 I CA 1.246 62.656 61.300 0.184 0.000 1.347 709 I CB -0.205 37.826 38.000 0.052 0.000 1.044 709 I HN 0.102 nan 8.210 nan 0.000 0.408 710 R N 0.644 121.216 120.500 0.120 0.000 2.081 710 R HA -0.127 4.212 4.340 -0.002 0.000 0.235 710 R C 2.242 178.653 176.300 0.186 0.000 1.131 710 R CA 0.986 57.182 56.100 0.159 0.000 0.960 710 R CB -0.212 30.145 30.300 0.094 0.000 0.856 710 R HN 0.216 nan 8.270 nan 0.000 0.436 711 K N -0.936 119.475 120.400 0.018 0.000 2.211 711 K HA 0.011 4.330 4.320 -0.002 0.000 0.203 711 K C 1.464 178.041 176.600 -0.040 0.000 1.050 711 K CA 1.362 57.553 56.287 -0.160 0.000 0.945 711 K CB 0.167 32.291 32.500 -0.627 0.000 0.732 711 K HN 0.508 nan 8.250 nan 0.000 0.451 712 G N 0.706 109.572 108.800 0.110 0.000 2.296 712 G HA2 -0.153 3.806 3.960 -0.002 0.000 0.188 712 G HA3 -0.153 3.806 3.960 -0.002 0.000 0.188 712 G C 0.105 175.040 174.900 0.058 0.000 1.000 712 G CA -0.068 45.071 45.100 0.066 0.000 0.672 712 G HN 0.279 nan 8.290 nan 0.000 0.483 713 I N 0.294 120.984 120.570 0.200 0.000 2.787 713 I HA 0.650 4.819 4.170 -0.002 0.000 0.294 713 I C -1.661 174.676 176.117 0.367 0.000 1.365 713 I CA -1.534 59.860 61.300 0.157 0.000 1.029 713 I CB 1.952 39.948 38.000 -0.007 0.000 1.313 713 I HN 0.460 nan 8.210 nan 0.000 0.431 714 Y N 4.167 124.592 120.300 0.208 0.000 2.521 714 Y HA 0.442 4.991 4.550 -0.002 0.000 0.332 714 Y C -1.465 174.569 175.900 0.224 0.000 1.121 714 Y CA -1.300 56.931 58.100 0.218 0.000 1.037 714 Y CB 0.815 39.386 38.460 0.185 0.000 1.330 714 Y HN 0.497 nan 8.280 nan 0.000 0.452 715 K N 3.997 124.502 120.400 0.175 0.000 2.349 715 K HA 0.275 4.594 4.320 -0.002 0.000 0.289 715 K C 0.006 176.574 176.600 -0.054 0.000 1.064 715 K CA -0.214 55.961 56.287 -0.187 0.000 0.947 715 K CB 0.570 32.891 32.500 -0.298 0.000 1.007 715 K HN 1.040 nan 8.250 nan 0.000 0.478 716 L N 3.112 124.251 121.223 -0.140 0.000 2.023 716 L HA -0.104 4.235 4.340 -0.002 0.000 0.205 716 L C 0.793 177.670 176.870 0.011 0.000 1.073 716 L CA 1.409 56.274 54.840 0.042 0.000 0.745 716 L CB -0.053 42.035 42.059 0.050 0.000 0.900 716 L HN 0.807 nan 8.230 nan 0.000 0.435 717 E N -2.509 117.644 120.200 -0.078 0.000 2.447 717 E HA 0.328 4.677 4.350 -0.002 0.000 0.279 717 E C -1.326 175.209 176.600 -0.108 0.000 1.053 717 E CA -0.834 55.529 56.400 -0.061 0.000 0.840 717 E CB 1.663 31.355 29.700 -0.014 0.000 1.409 717 E HN -0.282 nan 8.360 nan 0.000 0.461 718 T N 1.200 115.713 114.554 -0.068 0.000 2.848 718 T HA 0.519 4.868 4.350 -0.002 0.000 0.285 718 T C -0.507 174.179 174.700 -0.024 0.000 0.995 718 T CA -0.522 61.542 62.100 -0.060 0.000 0.970 718 T CB 0.545 69.382 68.868 -0.052 0.000 0.976 718 T HN 0.333 nan 8.240 nan 0.000 0.441 719 I N 2.795 123.358 120.570 -0.011 0.000 2.404 719 I HA 0.371 4.540 4.170 -0.002 0.000 0.293 719 I C 0.349 176.473 176.117 0.012 0.000 0.992 719 I CA -1.115 60.188 61.300 0.005 0.000 1.149 719 I CB 1.529 39.539 38.000 0.016 0.000 1.315 719 I HN 0.400 nan 8.210 nan 0.000 0.446 720 E N 3.675 123.883 120.200 0.013 0.000 2.392 720 E HA 0.597 4.946 4.350 -0.002 0.000 0.256 720 E C 0.127 176.742 176.600 0.025 0.000 1.145 720 E CA -0.145 56.265 56.400 0.017 0.000 0.929 720 E CB 1.256 30.964 29.700 0.013 0.000 0.998 720 E HN 0.863 nan 8.360 nan 0.000 0.442 721 G N -0.657 108.160 108.800 0.027 0.000 2.476 721 G HA2 0.211 4.170 3.960 -0.002 0.000 0.309 721 G HA3 0.211 4.170 3.960 -0.002 0.000 0.309 721 G C 0.179 175.099 174.900 0.033 0.000 1.575 721 G CA 0.055 45.176 45.100 0.035 0.000 0.913 721 G HN 0.358 nan 8.290 nan 0.000 0.623 722 S N 0.448 116.168 115.700 0.032 0.000 2.486 722 S HA 0.058 4.528 4.470 -0.002 0.000 0.220 722 S C 1.314 175.934 174.600 0.033 0.000 1.011 722 S CA 0.455 58.671 58.200 0.028 0.000 0.921 722 S CB 0.042 63.255 63.200 0.022 0.000 0.785 722 S HN 0.554 nan 8.310 nan 0.000 0.517 723 K N 1.499 121.925 120.400 0.043 0.000 2.410 723 K HA 0.496 4.815 4.320 -0.002 0.000 0.200 723 K C 0.617 177.248 176.600 0.051 0.000 1.023 723 K CA 0.098 56.413 56.287 0.048 0.000 1.149 723 K CB 0.603 33.139 32.500 0.060 0.000 0.859 723 K HN 0.438 nan 8.250 nan 0.000 0.514 724 G N 0.821 109.649 108.800 0.047 0.000 2.325 724 G HA2 0.181 4.140 3.960 -0.002 0.000 0.297 724 G HA3 0.181 4.140 3.960 -0.002 0.000 0.297 724 G C -2.037 172.888 174.900 0.043 0.000 1.448 724 G CA -0.756 44.370 45.100 0.043 0.000 0.838 724 G HN -0.108 nan 8.290 nan 0.000 0.579 725 K N -0.040 120.384 120.400 0.040 0.000 2.553 725 K HA 0.685 5.004 4.320 -0.002 0.000 0.250 725 K C -0.591 176.038 176.600 0.048 0.000 0.953 725 K CA -0.457 55.856 56.287 0.043 0.000 0.800 725 K CB 1.710 34.234 32.500 0.039 0.000 1.243 725 K HN 1.495 nan 8.250 nan 0.000 0.435 726 V N -0.070 119.878 119.914 0.057 0.000 3.160 726 V HA 0.637 4.756 4.120 -0.002 0.000 0.310 726 V C -1.055 175.099 176.094 0.100 0.000 1.181 726 V CA -0.963 61.378 62.300 0.069 0.000 1.047 726 V CB 2.197 34.053 31.823 0.056 0.000 1.068 726 V HN 0.691 nan 8.190 nan 0.000 0.441 727 Q N 1.431 121.311 119.800 0.133 0.000 2.337 727 Q HA 0.760 5.099 4.340 -0.002 0.000 0.266 727 Q C -1.521 174.600 176.000 0.202 0.000 1.023 727 Q CA -0.602 55.336 55.803 0.224 0.000 0.829 727 Q CB 2.636 31.535 28.738 0.269 0.000 1.306 727 Q HN 0.720 nan 8.270 nan 0.000 0.449 728 L N 3.271 124.634 121.223 0.232 0.000 2.356 728 L HA 0.520 4.859 4.340 -0.002 0.000 0.277 728 L C -1.220 175.787 176.870 0.228 0.000 0.996 728 L CA -0.882 54.064 54.840 0.177 0.000 0.822 728 L CB 1.124 43.250 42.059 0.112 0.000 1.256 728 L HN 0.321 nan 8.230 nan 0.000 0.413 729 L N 2.581 123.921 121.223 0.195 0.000 2.329 729 L HA 0.905 5.244 4.340 -0.002 0.000 0.279 729 L C 0.366 177.341 176.870 0.176 0.000 1.014 729 L CA -0.067 54.888 54.840 0.191 0.000 0.814 729 L CB 1.921 44.118 42.059 0.231 0.000 1.257 729 L HN 0.635 nan 8.230 nan 0.000 0.424 730 G N 0.436 109.308 108.800 0.119 0.000 2.690 730 G HA2 0.762 4.721 3.960 -0.002 0.000 0.293 730 G HA3 0.762 4.721 3.960 -0.002 0.000 0.293 730 G C -1.513 173.433 174.900 0.076 0.000 1.399 730 G CA -0.315 44.857 45.100 0.120 0.000 0.890 730 G HN 0.662 nan 8.290 nan 0.000 0.485 731 S N -0.836 114.945 115.700 0.136 0.000 2.607 731 S HA 0.877 5.346 4.470 -0.002 0.000 0.273 731 S C 0.711 175.385 174.600 0.123 0.000 1.148 731 S CA 0.462 58.727 58.200 0.109 0.000 0.833 731 S CB 1.364 64.695 63.200 0.219 0.000 1.130 731 S HN 2.672 nan 8.310 nan 0.000 0.470 732 G N 2.128 110.980 108.800 0.087 0.000 2.581 732 G HA2 -0.340 3.619 3.960 -0.002 0.000 0.291 732 G HA3 -0.340 3.619 3.960 -0.002 0.000 0.291 732 G C 1.108 176.064 174.900 0.093 0.000 1.277 732 G CA 1.516 46.685 45.100 0.116 0.000 0.959 732 G HN 2.213 nan 8.290 nan 0.000 0.554 733 S N -0.616 115.176 115.700 0.154 0.000 2.442 733 S HA -0.026 4.443 4.470 -0.002 0.000 0.236 733 S C 2.219 176.905 174.600 0.144 0.000 1.007 733 S CA 1.823 60.132 58.200 0.182 0.000 0.965 733 S CB -0.063 63.260 63.200 0.206 0.000 0.773 733 S HN 0.609 nan 8.310 nan 0.000 0.504 734 I N 1.293 121.939 120.570 0.127 0.000 2.761 734 I HA 0.091 4.260 4.170 -0.002 0.000 0.261 734 I C 2.164 178.367 176.117 0.142 0.000 1.198 734 I CA 0.268 61.662 61.300 0.157 0.000 1.482 734 I CB -1.412 36.639 38.000 0.085 0.000 1.100 734 I HN 0.332 nan 8.210 nan 0.000 0.445 735 L N 1.561 122.803 121.223 0.032 0.000 2.043 735 L HA -0.209 4.130 4.340 -0.002 0.000 0.212 735 L C 2.735 179.574 176.870 -0.052 0.000 1.075 735 L CA 1.865 56.687 54.840 -0.031 0.000 0.752 735 L CB -0.724 41.240 42.059 -0.159 0.000 0.891 735 L HN 0.154 nan 8.230 nan 0.000 0.432 736 R N -1.565 118.839 120.500 -0.160 0.000 2.117 736 R HA -0.201 4.138 4.340 -0.002 0.000 0.243 736 R C 2.229 178.365 176.300 -0.273 0.000 1.143 736 R CA 1.864 57.798 56.100 -0.276 0.000 0.968 736 R CB -0.372 29.591 30.300 -0.562 0.000 0.863 736 R HN 0.630 nan 8.270 nan 0.000 0.444 737 H N -1.022 118.018 119.070 -0.051 0.000 2.470 737 H HA -0.007 4.548 4.556 -0.002 0.000 0.289 737 H C 2.159 177.487 175.328 -0.000 0.000 1.033 737 H CA 1.221 57.262 56.048 -0.013 0.000 1.331 737 H CB 0.284 30.047 29.762 0.002 0.000 1.414 737 H HN 0.095 nan 8.280 nan 0.000 0.545 738 V N 1.311 121.288 119.914 0.104 0.000 2.427 738 V HA -0.186 3.933 4.120 -0.002 0.000 0.248 738 V C 2.408 178.531 176.094 0.049 0.000 1.051 738 V CA 1.398 63.742 62.300 0.074 0.000 1.048 738 V CB -0.322 31.547 31.823 0.076 0.000 0.666 738 V HN 0.331 nan 8.190 nan 0.000 0.456 739 R N -0.082 120.436 120.500 0.031 0.000 2.115 739 R HA -0.142 4.197 4.340 -0.002 0.000 0.226 739 R C 2.324 178.635 176.300 0.020 0.000 1.100 739 R CA 1.354 57.471 56.100 0.029 0.000 0.980 739 R CB -0.203 30.119 30.300 0.036 0.000 0.875 739 R HN 0.650 nan 8.270 nan 0.000 0.445 740 E N 1.083 121.283 120.200 0.001 0.000 2.106 740 E HA -0.161 4.188 4.350 -0.002 0.000 0.192 740 E C 1.877 178.496 176.600 0.031 0.000 0.984 740 E CA 1.094 57.498 56.400 0.006 0.000 0.806 740 E CB 0.002 29.694 29.700 -0.013 0.000 0.750 740 E HN 0.328 nan 8.360 nan 0.000 0.458 741 A N 1.225 124.064 122.820 0.032 0.000 1.930 741 A HA -0.054 4.265 4.320 -0.002 0.000 0.217 741 A C 2.404 180.018 177.584 0.050 0.000 1.175 741 A CA 1.592 53.646 52.037 0.028 0.000 0.627 741 A CB -0.725 18.281 19.000 0.011 0.000 0.815 741 A HN 0.427 nan 8.150 nan 0.000 0.443 742 A N -0.141 122.707 122.820 0.048 0.000 1.883 742 A HA -0.198 4.121 4.320 -0.002 0.000 0.217 742 A C 2.001 179.621 177.584 0.061 0.000 1.186 742 A CA 2.240 54.308 52.037 0.051 0.000 0.624 742 A CB -0.470 18.554 19.000 0.040 0.000 0.822 742 A HN 0.531 nan 8.150 nan 0.000 0.444 743 E N 0.128 120.362 120.200 0.056 0.000 2.107 743 E HA -0.070 4.279 4.350 -0.002 0.000 0.191 743 E C 1.710 178.363 176.600 0.089 0.000 0.982 743 E CA 1.122 57.558 56.400 0.060 0.000 0.809 743 E CB -0.388 29.339 29.700 0.045 0.000 0.756 743 E HN 0.630 nan 8.360 nan 0.000 0.459 744 I N 0.175 120.812 120.570 0.112 0.000 2.286 744 I HA -0.275 3.894 4.170 -0.002 0.000 0.248 744 I C 2.178 178.451 176.117 0.259 0.000 1.115 744 I CA 0.864 62.272 61.300 0.180 0.000 1.392 744 I CB -0.227 37.902 38.000 0.216 0.000 1.065 744 I HN 0.162 nan 8.210 nan 0.000 0.418 745 L N 0.331 121.685 121.223 0.217 0.000 2.056 745 L HA -0.185 4.154 4.340 -0.002 0.000 0.207 745 L C 2.806 179.807 176.870 0.218 0.000 1.078 745 L CA 1.362 56.353 54.840 0.251 0.000 0.749 745 L CB -0.642 41.490 42.059 0.121 0.000 0.901 745 L HN 0.228 nan 8.230 nan 0.000 0.433 746 A N -0.177 122.723 122.820 0.134 0.000 1.855 746 A HA -0.222 4.097 4.320 -0.002 0.000 0.215 746 A C 2.381 180.012 177.584 0.078 0.000 1.191 746 A CA 1.780 53.873 52.037 0.093 0.000 0.613 746 A CB -0.389 18.649 19.000 0.062 0.000 0.829 746 A HN 0.270 nan 8.150 nan 0.000 0.442 747 K N -0.862 119.582 120.400 0.072 0.000 2.025 747 K HA -0.152 4.167 4.320 -0.002 0.000 0.207 747 K C 0.990 177.584 176.600 -0.010 0.000 1.049 747 K CA 1.706 58.014 56.287 0.034 0.000 0.933 747 K CB -0.061 32.462 32.500 0.037 0.000 0.714 747 K HN 0.382 nan 8.250 nan 0.000 0.438 748 D N -1.340 119.048 120.400 -0.019 0.000 2.327 748 D HA -0.022 4.617 4.640 -0.002 0.000 0.205 748 D C 0.731 176.726 176.300 -0.508 0.000 0.989 748 D CA 0.848 54.684 54.000 -0.274 0.000 0.873 748 D CB 0.348 40.915 40.800 -0.388 0.000 0.955 748 D HN 0.282 nan 8.370 nan 0.000 0.515 749 Y N -0.704 119.619 120.300 0.039 0.000 2.500 749 Y HA 0.328 4.877 4.550 -0.002 0.000 0.246 749 Y C 1.728 177.644 175.900 0.027 0.000 1.146 749 Y CA 0.045 58.165 58.100 0.033 0.000 1.230 749 Y CB 1.052 39.540 38.460 0.046 0.000 1.214 749 Y HN -0.025 nan 8.280 nan 0.000 0.526 750 G N 0.647 109.522 108.800 0.125 0.000 2.162 750 G HA2 -0.286 3.673 3.960 -0.002 0.000 0.260 750 G HA3 -0.286 3.673 3.960 -0.002 0.000 0.260 750 G C -0.103 174.853 174.900 0.093 0.000 0.976 750 G CA 0.329 45.480 45.100 0.084 0.000 0.655 750 G HN 0.125 nan 8.290 nan 0.000 0.533 751 V N 1.432 121.422 119.914 0.127 0.000 2.408 751 V HA 0.608 4.727 4.120 -0.002 0.000 0.267 751 V C 1.352 177.491 176.094 0.075 0.000 1.047 751 V CA 0.236 62.594 62.300 0.096 0.000 0.937 751 V CB 0.957 32.839 31.823 0.098 0.000 0.999 751 V HN 0.621 nan 8.190 nan 0.000 0.472 752 G N 3.934 112.768 108.800 0.056 0.000 2.557 752 G HA2 0.702 4.661 3.960 -0.002 0.000 0.292 752 G HA3 0.702 4.661 3.960 -0.002 0.000 0.292 752 G C -0.251 174.675 174.900 0.043 0.000 1.237 752 G CA 0.225 45.352 45.100 0.044 0.000 0.978 752 G HN 1.069 nan 8.290 nan 0.000 0.498 753 S N -1.124 114.594 115.700 0.031 0.000 2.597 753 S HA 0.407 4.876 4.470 -0.002 0.000 0.274 753 S C -2.156 172.443 174.600 -0.002 0.000 1.132 753 S CA -0.995 57.225 58.200 0.033 0.000 0.835 753 S CB 2.107 65.335 63.200 0.046 0.000 1.092 753 S HN 0.417 nan 8.310 nan 0.000 0.457 754 D N 1.116 121.516 120.400 -0.001 0.000 2.256 754 D HA 0.553 5.192 4.640 -0.002 0.000 0.240 754 D C -0.756 175.438 176.300 -0.177 0.000 1.062 754 D CA -0.182 53.727 54.000 -0.151 0.000 0.832 754 D CB 1.949 42.654 40.800 -0.159 0.000 1.135 754 D HN 0.437 nan 8.370 nan 0.000 0.484 755 V N 3.796 123.545 119.914 -0.274 0.000 2.370 755 V HA 0.295 4.414 4.120 -0.002 0.000 0.283 755 V C -0.793 175.131 176.094 -0.284 0.000 1.023 755 V CA -0.640 61.577 62.300 -0.137 0.000 0.857 755 V CB 0.432 32.226 31.823 -0.048 0.000 0.985 755 V HN 0.351 nan 8.190 nan 0.000 0.443 756 Y N 2.000 122.260 120.300 -0.066 0.000 2.393 756 Y HA 0.562 5.111 4.550 -0.002 0.000 0.341 756 Y C 0.554 176.317 175.900 -0.228 0.000 0.988 756 Y CA -0.712 57.290 58.100 -0.163 0.000 1.078 756 Y CB 2.066 40.446 38.460 -0.133 0.000 1.203 756 Y HN 0.538 nan 8.280 nan 0.000 0.453 757 S N 1.986 117.507 115.700 -0.299 0.000 2.457 757 S HA 0.595 5.064 4.470 -0.002 0.000 0.289 757 S C -1.066 173.366 174.600 -0.280 0.000 1.163 757 S CA -0.560 57.456 58.200 -0.308 0.000 1.078 757 S CB 0.236 63.177 63.200 -0.431 0.000 0.987 757 S HN 0.450 nan 8.310 nan 0.000 0.482 758 V N 6.015 125.787 119.914 -0.235 0.000 2.294 758 V HA 0.246 4.365 4.120 -0.002 0.000 0.272 758 V C 1.409 177.366 176.094 -0.227 0.000 1.027 758 V CA -0.240 61.831 62.300 -0.381 0.000 0.823 758 V CB 0.544 31.789 31.823 -0.963 0.000 1.030 758 V HN 1.089 nan 8.190 nan 0.000 0.457 759 T N -0.301 114.229 114.554 -0.040 0.000 3.055 759 T HA 0.037 4.386 4.350 -0.002 0.000 0.265 759 T C 0.793 175.557 174.700 0.106 0.000 1.111 759 T CA 0.720 62.892 62.100 0.121 0.000 1.118 759 T CB 0.221 69.264 68.868 0.292 0.000 0.909 759 T HN 0.590 nan 8.240 nan 0.000 0.501 760 S N -0.507 115.122 115.700 -0.118 0.000 2.382 760 S HA 0.412 4.881 4.470 -0.002 0.000 0.228 760 S C -0.230 174.179 174.600 -0.319 0.000 0.996 760 S CA -0.812 57.248 58.200 -0.234 0.000 1.094 760 S CB -0.461 62.456 63.200 -0.472 0.000 1.209 760 S HN 0.142 nan 8.310 nan 0.000 0.420 761 F N 2.333 122.032 119.950 -0.419 0.000 2.171 761 F HA -0.044 4.482 4.527 -0.002 0.000 0.300 761 F C 2.687 178.295 175.800 -0.319 0.000 1.090 761 F CA 1.923 59.635 58.000 -0.480 0.000 1.293 761 F CB -0.495 37.932 39.000 -0.954 0.000 1.013 761 F HN 0.507 nan 8.300 nan 0.000 0.486 762 T N -0.745 113.762 114.554 -0.078 0.000 2.708 762 T HA -0.172 4.177 4.350 -0.002 0.000 0.266 762 T C 1.850 176.482 174.700 -0.114 0.000 1.037 762 T CA 1.446 63.523 62.100 -0.038 0.000 1.146 762 T CB -0.207 68.682 68.868 0.036 0.000 0.865 762 T HN 0.136 nan 8.240 nan 0.000 0.435 763 E N 0.947 121.025 120.200 -0.204 0.000 2.153 763 E HA 0.005 4.354 4.350 -0.002 0.000 0.194 763 E C 2.261 178.762 176.600 -0.166 0.000 0.988 763 E CA 0.622 56.889 56.400 -0.221 0.000 0.811 763 E CB -0.319 29.189 29.700 -0.320 0.000 0.746 763 E HN 0.488 nan 8.360 nan 0.000 0.466 764 L N 0.085 121.223 121.223 -0.141 0.000 2.109 764 L HA -0.079 4.260 4.340 -0.002 0.000 0.207 764 L C 2.505 179.291 176.870 -0.140 0.000 1.086 764 L CA 0.977 55.751 54.840 -0.109 0.000 0.760 764 L CB -0.453 41.557 42.059 -0.082 0.000 0.910 764 L HN 0.033 nan 8.230 nan 0.000 0.437 765 A N 0.185 122.958 122.820 -0.077 0.000 1.898 765 A HA -0.175 4.144 4.320 -0.002 0.000 0.216 765 A C 2.392 179.879 177.584 -0.162 0.000 1.181 765 A CA 1.277 53.290 52.037 -0.040 0.000 0.620 765 A CB -0.402 18.643 19.000 0.074 0.000 0.819 765 A HN 0.290 nan 8.150 nan 0.000 0.442 766 R N -0.655 119.766 120.500 -0.131 0.000 2.075 766 R HA -0.145 4.195 4.340 -0.002 0.000 0.232 766 R C 1.991 178.181 176.300 -0.184 0.000 1.126 766 R CA 1.594 57.617 56.100 -0.129 0.000 0.963 766 R CB -0.392 29.842 30.300 -0.110 0.000 0.858 766 R HN 0.709 nan 8.270 nan 0.000 0.435 767 D N -0.447 119.827 120.400 -0.211 0.000 2.097 767 D HA -0.107 4.532 4.640 -0.002 0.000 0.195 767 D C 1.956 178.058 176.300 -0.330 0.000 0.989 767 D CA 1.552 55.425 54.000 -0.211 0.000 0.827 767 D CB -0.242 40.459 40.800 -0.165 0.000 0.966 767 D HN 0.225 nan 8.370 nan 0.000 0.456 768 G N -0.365 108.063 108.800 -0.620 0.000 2.440 768 G HA2 -0.314 3.645 3.960 -0.002 0.000 0.218 768 G HA3 -0.314 3.645 3.960 -0.002 0.000 0.218 768 G C 1.609 175.960 174.900 -0.915 0.000 1.154 768 G CA 0.849 45.173 45.100 -1.293 0.000 0.767 768 G HN 0.355 nan 8.290 nan 0.000 0.552 769 Q N 0.094 119.566 119.800 -0.546 0.000 2.084 769 Q HA -0.096 4.243 4.340 -0.002 0.000 0.202 769 Q C 2.229 178.212 176.000 -0.029 0.000 0.978 769 Q CA 1.363 57.118 55.803 -0.080 0.000 0.844 769 Q CB -0.098 28.640 28.738 0.000 0.000 0.898 769 Q HN 0.349 nan 8.270 nan 0.000 0.426 770 D N 0.000 120.356 120.400 -0.074 0.000 2.144 770 D HA -0.133 4.506 4.640 -0.002 0.000 0.199 770 D C 1.875 178.206 176.300 0.051 0.000 0.984 770 D CA 0.869 54.865 54.000 -0.007 0.000 0.834 770 D CB -0.368 40.404 40.800 -0.046 0.000 0.955 770 D HN 0.262 nan 8.370 nan 0.000 0.465 771 C N 0.870 120.165 119.300 -0.009 0.000 2.446 771 C HA -0.029 4.430 4.460 -0.002 0.000 0.277 771 C C 2.518 177.606 174.990 0.164 0.000 1.275 771 C CA 0.302 59.352 59.018 0.052 0.000 1.727 771 C CB -0.455 27.272 27.740 -0.021 0.000 2.010 771 C HN 0.322 nan 8.230 nan 0.000 0.486 772 E N 0.578 120.865 120.200 0.144 0.000 2.106 772 E HA -0.148 4.201 4.350 -0.002 0.000 0.192 772 E C 2.291 178.988 176.600 0.163 0.000 0.984 772 E CA 0.686 57.194 56.400 0.180 0.000 0.806 772 E CB -0.429 29.407 29.700 0.227 0.000 0.750 772 E HN 0.627 nan 8.360 nan 0.000 0.458 773 R N -0.378 120.214 120.500 0.153 0.000 2.070 773 R HA -0.179 4.160 4.340 -0.002 0.000 0.233 773 R C 2.202 178.611 176.300 0.181 0.000 1.137 773 R CA 1.749 57.929 56.100 0.132 0.000 0.945 773 R CB -0.566 29.802 30.300 0.114 0.000 0.845 773 R HN 0.180 nan 8.270 nan 0.000 0.430 774 W N 2.155 123.495 121.300 0.067 0.000 2.335 774 W HA -0.187 4.472 4.660 -0.001 0.000 0.311 774 W C 1.730 178.357 176.519 0.180 0.000 1.213 774 W CA 1.894 59.313 57.345 0.122 0.000 1.274 774 W CB -0.287 29.179 29.460 0.011 0.000 1.148 774 W HN 0.205 nan 8.180 nan 0.000 0.498 775 N N 0.109 119.044 118.700 0.392 0.000 2.104 775 N HA -0.269 4.470 4.740 -0.002 0.000 0.190 775 N C 1.776 177.310 175.510 0.039 0.000 1.024 775 N CA 2.137 55.324 53.050 0.228 0.000 0.853 775 N CB -1.162 37.464 38.487 0.231 0.000 1.008 775 N HN 0.374 nan 8.380 nan 0.000 0.424 776 M N 0.227 119.849 119.600 0.037 0.000 2.175 776 M HA -0.045 4.434 4.480 -0.002 0.000 0.264 776 M C 1.199 177.434 176.300 -0.108 0.000 1.063 776 M CA 1.336 56.624 55.300 -0.020 0.000 1.119 776 M CB 0.060 32.661 32.600 0.003 0.000 1.377 776 M HN 0.025 nan 8.290 nan 0.000 0.415 777 L N -0.799 120.324 121.223 -0.167 0.000 2.554 777 L HA -0.012 4.327 4.340 -0.002 0.000 0.226 777 L C 0.043 176.481 176.870 -0.720 0.000 1.137 777 L CA 0.245 54.868 54.840 -0.362 0.000 0.863 777 L CB -0.408 41.444 42.059 -0.344 0.000 0.985 777 L HN 0.364 nan 8.230 nan 0.000 0.451 778 H N -0.885 117.887 119.070 -0.497 0.000 2.380 778 H HA 0.167 4.722 4.556 -0.002 0.000 0.231 778 H C -1.677 173.466 175.328 -0.307 0.000 1.415 778 H CA -1.456 54.268 56.048 -0.540 0.000 1.433 778 H CB 0.384 29.468 29.762 -1.131 0.000 1.544 778 H HN -0.091 nan 8.280 nan 0.000 0.503 779 P HA -0.126 nan 4.420 nan 0.000 0.222 779 P C 0.890 178.173 177.300 -0.027 0.000 1.147 779 P CA 0.932 63.993 63.100 -0.064 0.000 0.790 779 P CB 0.699 32.357 31.700 -0.070 0.000 0.780 780 L N -1.397 119.808 121.223 -0.030 0.000 2.592 780 L HA 0.143 4.482 4.340 -0.002 0.000 0.227 780 L C 1.273 178.165 176.870 0.037 0.000 1.127 780 L CA 0.216 55.057 54.840 0.002 0.000 0.884 780 L CB -0.238 41.818 42.059 -0.005 0.000 1.065 780 L HN -0.079 nan 8.230 nan 0.000 0.457 781 E N 0.093 120.326 120.200 0.056 0.000 2.254 781 E HA 0.258 4.607 4.350 -0.002 0.000 0.261 781 E C -0.220 176.474 176.600 0.157 0.000 1.051 781 E CA -0.301 56.179 56.400 0.134 0.000 0.902 781 E CB 1.090 30.924 29.700 0.223 0.000 1.168 781 E HN -0.165 nan 8.360 nan 0.000 0.423 782 T N 3.223 117.882 114.554 0.176 0.000 2.851 782 T HA 0.219 4.568 4.350 -0.002 0.000 0.298 782 T C -2.216 172.603 174.700 0.198 0.000 0.977 782 T CA -0.985 61.197 62.100 0.138 0.000 1.126 782 T CB 0.336 69.260 68.868 0.092 0.000 0.916 782 T HN 0.093 nan 8.240 nan 0.000 0.529 783 P HA 0.120 nan 4.420 nan 0.000 0.264 783 P C 0.098 177.476 177.300 0.130 0.000 1.193 783 P CA -0.044 63.163 63.100 0.178 0.000 0.763 783 P CB 0.464 32.233 31.700 0.115 0.000 0.810 784 R N 1.599 122.183 120.500 0.140 0.000 2.582 784 R HA 0.366 4.705 4.340 -0.002 0.000 0.271 784 R C -0.516 175.793 176.300 0.015 0.000 1.078 784 R CA -0.693 55.401 56.100 -0.010 0.000 1.127 784 R CB 0.604 30.806 30.300 -0.164 0.000 1.038 784 R HN 0.242 nan 8.270 nan 0.000 0.500 785 V N 4.591 124.494 119.914 -0.017 0.000 2.370 785 V HA 0.225 4.344 4.120 -0.002 0.000 0.283 785 V C -2.062 174.025 176.094 -0.013 0.000 1.023 785 V CA -2.231 60.067 62.300 -0.003 0.000 0.857 785 V CB 1.437 33.253 31.823 -0.013 0.000 0.985 785 V HN 0.667 nan 8.190 nan 0.000 0.443 786 P HA 0.002 nan 4.420 nan 0.000 0.266 786 P C 0.331 177.633 177.300 0.004 0.000 1.195 786 P CA 0.109 63.189 63.100 -0.033 0.000 0.768 786 P CB 0.417 32.087 31.700 -0.048 0.000 0.838 787 Y N 3.545 123.785 120.300 -0.100 0.000 2.193 787 Y HA -0.223 4.326 4.550 -0.002 0.000 0.285 787 Y C 1.978 177.838 175.900 -0.067 0.000 1.166 787 Y CA 1.517 59.574 58.100 -0.073 0.000 1.181 787 Y CB -0.450 37.968 38.460 -0.072 0.000 0.976 787 Y HN 0.336 nan 8.280 nan 0.000 0.520 788 I N -0.435 120.120 120.570 -0.025 0.000 2.394 788 I HA -0.242 3.927 4.170 -0.002 0.000 0.251 788 I C 2.237 178.246 176.117 -0.180 0.000 1.136 788 I CA 1.452 62.677 61.300 -0.124 0.000 1.425 788 I CB -0.320 37.631 38.000 -0.082 0.000 1.079 788 I HN 0.299 nan 8.210 nan 0.000 0.425 789 A N -0.199 122.551 122.820 -0.116 0.000 2.066 789 A HA -0.181 4.138 4.320 -0.002 0.000 0.218 789 A C 2.159 179.667 177.584 -0.126 0.000 1.157 789 A CA 1.130 53.107 52.037 -0.100 0.000 0.670 789 A CB -0.375 18.604 19.000 -0.035 0.000 0.804 789 A HN 0.588 nan 8.150 nan 0.000 0.453 790 Q N -0.712 118.977 119.800 -0.186 0.000 2.137 790 Q HA -0.034 4.305 4.340 -0.002 0.000 0.198 790 Q C 1.985 177.847 176.000 -0.230 0.000 0.960 790 Q CA 1.356 57.036 55.803 -0.204 0.000 0.847 790 Q CB -0.075 28.506 28.738 -0.261 0.000 0.915 790 Q HN 0.503 nan 8.270 nan 0.000 0.448 791 V N 0.507 120.226 119.914 -0.324 0.000 2.488 791 V HA -0.087 4.032 4.120 -0.002 0.000 0.246 791 V C 1.337 177.414 176.094 -0.028 0.000 1.046 791 V CA 1.035 63.218 62.300 -0.195 0.000 1.053 791 V CB -0.155 31.518 31.823 -0.251 0.000 0.679 791 V HN 0.291 nan 8.190 nan 0.000 0.458 792 M N 0.756 120.261 119.600 -0.158 0.000 2.267 792 M HA 0.311 4.790 4.480 -0.002 0.000 0.303 792 M C 0.279 176.558 176.300 -0.034 0.000 1.164 792 M CA -0.049 55.156 55.300 -0.158 0.000 1.060 792 M CB 0.851 33.246 32.600 -0.341 0.000 1.455 792 M HN 0.462 nan 8.290 nan 0.000 0.483 793 N N -0.866 117.845 118.700 0.018 0.000 3.184 793 N HA 0.302 5.041 4.740 -0.002 0.000 0.353 793 N C -0.561 174.951 175.510 0.003 0.000 1.441 793 N CA -0.724 52.339 53.050 0.022 0.000 0.723 793 N CB 0.337 38.858 38.487 0.057 0.000 1.547 793 N HN 0.610 nan 8.380 nan 0.000 0.624 794 D N -1.538 118.869 120.400 0.012 0.000 2.349 794 D HA 0.155 4.794 4.640 -0.002 0.000 0.214 794 D C -0.010 176.304 176.300 0.023 0.000 1.063 794 D CA -0.367 53.637 54.000 0.008 0.000 0.847 794 D CB -0.433 40.370 40.800 0.005 0.000 0.933 794 D HN 0.630 nan 8.370 nan 0.000 0.513 795 A N 2.361 125.205 122.820 0.039 0.000 2.462 795 A HA 0.355 4.674 4.320 -0.002 0.000 0.243 795 A C -2.085 175.532 177.584 0.055 0.000 1.076 795 A CA -1.048 51.017 52.037 0.048 0.000 0.773 795 A CB -0.180 18.856 19.000 0.061 0.000 1.010 795 A HN 0.066 nan 8.150 nan 0.000 0.493 796 P HA 0.144 nan 4.420 nan 0.000 0.261 796 P C -0.398 176.951 177.300 0.081 0.000 1.173 796 P CA 0.724 63.859 63.100 0.058 0.000 0.760 796 P CB 0.446 32.171 31.700 0.041 0.000 0.783 797 A N 3.479 126.368 122.820 0.115 0.000 2.355 797 A HA 0.679 4.998 4.320 -0.002 0.000 0.324 797 A C -0.825 176.826 177.584 0.111 0.000 1.117 797 A CA -0.670 51.460 52.037 0.155 0.000 0.785 797 A CB 1.577 20.720 19.000 0.238 0.000 1.254 797 A HN 0.337 nan 8.150 nan 0.000 0.453 798 V N 0.658 120.619 119.914 0.079 0.000 2.709 798 V HA 0.769 4.888 4.120 -0.002 0.000 0.308 798 V C 0.116 176.215 176.094 0.009 0.000 1.062 798 V CA -0.178 62.112 62.300 -0.016 0.000 0.901 798 V CB 1.630 33.450 31.823 -0.004 0.000 1.003 798 V HN 1.405 nan 8.190 nan 0.000 0.425 799 A N 2.945 125.705 122.820 -0.099 0.000 2.401 799 A HA 0.944 5.263 4.320 -0.002 0.000 0.310 799 A C -0.553 177.009 177.584 -0.036 0.000 1.075 799 A CA -0.594 51.442 52.037 -0.001 0.000 0.746 799 A CB 2.113 21.126 19.000 0.021 0.000 1.277 799 A HN 0.805 nan 8.150 nan 0.000 0.425 800 S N -0.074 115.655 115.700 0.048 0.000 2.548 800 S HA 0.842 5.311 4.470 -0.002 0.000 0.276 800 S C -0.452 174.211 174.600 0.105 0.000 1.129 800 S CA 0.288 58.509 58.200 0.034 0.000 0.931 800 S CB 1.453 64.672 63.200 0.032 0.000 1.068 800 S HN 1.875 nan 8.310 nan 0.000 0.480 801 T N 0.338 114.954 114.554 0.104 0.000 2.787 801 T HA 0.483 4.832 4.350 -0.002 0.000 0.297 801 T C -0.439 174.322 174.700 0.102 0.000 1.221 801 T CA -0.496 61.727 62.100 0.205 0.000 1.006 801 T CB 1.386 70.511 68.868 0.429 0.000 1.328 801 T HN 0.314 nan 8.240 nan 0.000 0.509 802 D N -0.666 119.792 120.400 0.096 0.000 2.328 802 D HA 0.243 4.882 4.640 -0.002 0.000 0.226 802 D C -0.665 175.311 176.300 -0.540 0.000 1.066 802 D CA 0.142 54.019 54.000 -0.204 0.000 0.861 802 D CB -0.225 40.437 40.800 -0.230 0.000 0.912 802 D HN 0.432 nan 8.370 nan 0.000 0.521 803 Y N -0.105 120.152 120.300 -0.072 0.000 2.621 803 Y HA 0.345 4.894 4.550 -0.002 0.000 0.334 803 Y C 0.934 176.797 175.900 -0.062 0.000 1.074 803 Y CA -1.438 56.596 58.100 -0.110 0.000 1.149 803 Y CB 0.605 38.924 38.460 -0.235 0.000 1.302 803 Y HN -0.202 nan 8.280 nan 0.000 0.501 804 M N 0.046 119.696 119.600 0.082 0.000 2.250 804 M HA 0.214 4.693 4.480 -0.002 0.000 0.325 804 M C 0.524 176.856 176.300 0.055 0.000 1.084 804 M CA -0.121 55.195 55.300 0.027 0.000 1.161 804 M CB 0.533 33.140 32.600 0.012 0.000 1.481 804 M HN 0.675 nan 8.290 nan 0.000 0.449 805 K N 0.857 121.250 120.400 -0.012 0.000 2.107 805 K HA -0.219 4.100 4.320 -0.002 0.000 0.211 805 K C 1.724 178.291 176.600 -0.056 0.000 1.049 805 K CA 1.770 58.025 56.287 -0.054 0.000 0.927 805 K CB -0.572 31.881 32.500 -0.078 0.000 0.714 805 K HN 0.645 nan 8.250 nan 0.000 0.452 806 L N 0.743 121.959 121.223 -0.012 0.000 2.189 806 L HA -0.169 4.170 4.340 -0.002 0.000 0.214 806 L C 1.911 178.792 176.870 0.018 0.000 1.097 806 L CA 1.459 56.298 54.840 -0.003 0.000 0.764 806 L CB -0.589 41.482 42.059 0.021 0.000 0.900 806 L HN 0.123 nan 8.230 nan 0.000 0.436 807 F N 0.242 120.117 119.950 -0.125 0.000 2.126 807 F HA -0.192 4.334 4.527 -0.002 0.000 0.299 807 F C 2.172 177.709 175.800 -0.438 0.000 1.096 807 F CA 1.583 59.476 58.000 -0.177 0.000 1.255 807 F CB -0.614 38.319 39.000 -0.113 0.000 0.997 807 F HN 0.152 nan 8.300 nan 0.000 0.479 808 A N -0.849 121.564 122.820 -0.678 0.000 2.044 808 A HA 0.035 4.354 4.320 -0.002 0.000 0.213 808 A C 2.093 179.414 177.584 -0.439 0.000 1.169 808 A CA 0.686 51.974 52.037 -1.249 0.000 0.724 808 A CB -0.615 17.749 19.000 -1.061 0.000 0.840 808 A HN 0.424 nan 8.150 nan 0.000 0.463 809 E N 0.375 120.448 120.200 -0.213 0.000 2.204 809 E HA -0.251 4.098 4.350 -0.002 0.000 0.195 809 E C 2.118 178.727 176.600 0.014 0.000 0.990 809 E CA 1.215 57.602 56.400 -0.022 0.000 0.821 809 E CB -0.151 29.520 29.700 -0.050 0.000 0.750 809 E HN 0.896 nan 8.360 nan 0.000 0.477 810 Q N 0.253 120.032 119.800 -0.036 0.000 2.376 810 Q HA -0.143 4.196 4.340 -0.002 0.000 0.211 810 Q C 1.799 177.844 176.000 0.076 0.000 0.986 810 Q CA 1.672 57.485 55.803 0.017 0.000 0.886 810 Q CB -0.382 28.368 28.738 0.021 0.000 0.927 810 Q HN 0.313 nan 8.270 nan 0.000 0.457 811 V N -2.702 117.261 119.914 0.081 0.000 3.596 811 V HA 0.221 4.340 4.120 -0.002 0.000 0.289 811 V C 1.988 178.017 176.094 -0.109 0.000 1.336 811 V CA 0.362 62.742 62.300 0.133 0.000 1.137 811 V CB -0.178 31.741 31.823 0.161 0.000 0.966 811 V HN 0.126 nan 8.190 nan 0.000 0.428 812 R N 2.207 122.635 120.500 -0.120 0.000 2.112 812 R HA -0.170 4.169 4.340 -0.002 0.000 0.242 812 R C 2.060 178.166 176.300 -0.322 0.000 1.137 812 R CA 2.875 58.866 56.100 -0.182 0.000 0.944 812 R CB -1.546 28.756 30.300 0.004 0.000 0.857 812 R HN 0.528 nan 8.270 nan 0.000 0.435 813 T N -0.182 114.081 114.554 -0.487 0.000 2.849 813 T HA -0.157 4.192 4.350 -0.002 0.000 0.270 813 T C 0.809 175.098 174.700 -0.684 0.000 1.066 813 T CA 1.716 63.427 62.100 -0.648 0.000 1.130 813 T CB -0.314 68.010 68.868 -0.907 0.000 0.864 813 T HN 0.363 nan 8.240 nan 0.000 0.481 814 Y N 0.017 120.253 120.300 -0.107 0.000 2.462 814 Y HA 0.393 4.942 4.550 -0.002 0.000 0.261 814 Y C 0.817 176.618 175.900 -0.165 0.000 1.146 814 Y CA -1.059 56.975 58.100 -0.110 0.000 1.283 814 Y CB -0.234 38.174 38.460 -0.088 0.000 1.090 814 Y HN -0.069 nan 8.280 nan 0.000 0.526 815 V N 5.517 125.314 119.914 -0.195 0.000 2.427 815 V HA 0.082 4.201 4.120 -0.002 0.000 0.268 815 V C -1.372 174.614 176.094 -0.180 0.000 1.046 815 V CA -1.326 60.805 62.300 -0.282 0.000 0.970 815 V CB 1.063 32.510 31.823 -0.626 0.000 1.001 815 V HN 0.123 nan 8.190 nan 0.000 0.476 816 P HA 0.148 nan 4.420 nan 0.000 0.269 816 P C -0.013 177.253 177.300 -0.057 0.000 1.461 816 P CA 0.299 63.354 63.100 -0.075 0.000 0.809 816 P CB 0.342 32.006 31.700 -0.059 0.000 1.503 817 A N 0.040 122.822 122.820 -0.063 0.000 2.355 817 A HA 0.441 4.760 4.320 -0.002 0.000 0.324 817 A C 0.818 178.399 177.584 -0.005 0.000 1.117 817 A CA -0.555 51.471 52.037 -0.019 0.000 0.785 817 A CB 0.964 19.968 19.000 0.006 0.000 1.254 817 A HN -0.192 nan 8.150 nan 0.000 0.453 818 D N 0.127 120.531 120.400 0.008 0.000 2.219 818 D HA -0.008 4.631 4.640 -0.002 0.000 0.205 818 D C -0.402 175.916 176.300 0.030 0.000 0.970 818 D CA 1.545 55.552 54.000 0.011 0.000 0.851 818 D CB 0.253 41.059 40.800 0.009 0.000 0.943 818 D HN 0.572 nan 8.370 nan 0.000 0.488 819 D N -1.073 119.357 120.400 0.049 0.000 2.492 819 D HA 0.163 4.802 4.640 -0.002 0.000 0.248 819 D C -1.634 174.750 176.300 0.140 0.000 1.101 819 D CA -0.683 53.358 54.000 0.069 0.000 0.840 819 D CB 0.847 41.672 40.800 0.041 0.000 1.209 819 D HN -0.187 nan 8.370 nan 0.000 0.524 820 Y N 3.539 123.823 120.300 -0.027 0.000 2.373 820 Y HA 0.427 4.976 4.550 -0.002 0.000 0.327 820 Y C -1.024 174.857 175.900 -0.033 0.000 1.036 820 Y CA -0.791 57.291 58.100 -0.030 0.000 1.265 820 Y CB 0.690 39.125 38.460 -0.042 0.000 1.108 820 Y HN 0.273 nan 8.280 nan 0.000 0.471 821 R N 4.237 124.574 120.500 -0.273 0.000 2.368 821 R HA 0.725 5.064 4.340 -0.002 0.000 0.302 821 R C -1.376 174.657 176.300 -0.446 0.000 1.002 821 R CA -0.892 55.042 56.100 -0.277 0.000 0.929 821 R CB 1.778 31.997 30.300 -0.135 0.000 1.073 821 R HN 0.423 nan 8.270 nan 0.000 0.464 822 V N 5.444 125.131 119.914 -0.379 0.000 2.540 822 V HA 0.400 4.519 4.120 -0.002 0.000 0.302 822 V C -0.261 175.710 176.094 -0.205 0.000 1.035 822 V CA -0.760 61.319 62.300 -0.367 0.000 0.873 822 V CB 1.887 33.459 31.823 -0.418 0.000 0.992 822 V HN 0.577 nan 8.190 nan 0.000 0.428 823 L N 4.064 125.192 121.223 -0.158 0.000 2.325 823 L HA 0.970 5.309 4.340 -0.002 0.000 0.278 823 L C 0.560 177.374 176.870 -0.094 0.000 1.023 823 L CA -0.171 54.602 54.840 -0.111 0.000 0.811 823 L CB 1.878 43.891 42.059 -0.077 0.000 1.249 823 L HN 0.813 nan 8.230 nan 0.000 0.431 824 G N -0.435 108.313 108.800 -0.086 0.000 2.608 824 G HA2 0.407 4.366 3.960 -0.002 0.000 0.291 824 G HA3 0.407 4.366 3.960 -0.002 0.000 0.291 824 G C -0.402 174.456 174.900 -0.069 0.000 1.425 824 G CA -0.212 44.851 45.100 -0.062 0.000 0.787 824 G HN 0.474 nan 8.290 nan 0.000 0.484 825 T N -1.007 113.471 114.554 -0.126 0.000 3.268 825 T HA 0.335 4.684 4.350 -0.002 0.000 0.244 825 T C -0.399 174.188 174.700 -0.188 0.000 0.915 825 T CA -0.404 61.539 62.100 -0.263 0.000 0.935 825 T CB -0.442 68.030 68.868 -0.660 0.000 1.110 825 T HN 0.271 nan 8.240 nan 0.000 0.573 826 D N 1.698 122.081 120.400 -0.028 0.000 2.455 826 D HA 0.489 5.128 4.640 -0.002 0.000 0.241 826 D C 1.006 177.360 176.300 0.090 0.000 1.138 826 D CA 1.283 55.270 54.000 -0.022 0.000 0.877 826 D CB 0.284 41.064 40.800 -0.034 0.000 1.187 826 D HN 0.772 nan 8.370 nan 0.000 0.451 827 G N 0.274 109.074 108.800 0.001 0.000 2.459 827 G HA2 -0.030 3.929 3.960 -0.002 0.000 0.685 827 G HA3 -0.030 3.929 3.960 -0.002 0.000 0.685 827 G C -0.960 174.019 174.900 0.133 0.000 1.303 827 G CA -1.223 43.932 45.100 0.091 0.000 0.907 827 G HN 0.237 nan 8.290 nan 0.000 0.632 828 F N 1.411 121.492 119.950 0.219 0.000 2.529 828 F HA 0.487 5.013 4.527 -0.002 0.000 0.365 828 F C 1.657 177.665 175.800 0.346 0.000 1.102 828 F CA 1.287 59.406 58.000 0.197 0.000 1.271 828 F CB 0.983 40.055 39.000 0.120 0.000 1.120 828 F HN 0.736 nan 8.300 nan 0.000 0.579 829 G N 3.059 112.153 108.800 0.489 0.000 2.651 829 G HA2 0.587 4.547 3.960 -0.002 0.000 0.260 829 G HA3 0.587 4.547 3.960 -0.002 0.000 0.260 829 G C -0.674 174.416 174.900 0.316 0.000 1.216 829 G CA -0.738 44.633 45.100 0.451 0.000 0.913 829 G HN 0.771 nan 8.290 nan 0.000 0.535 830 R N -1.724 118.919 120.500 0.238 0.000 2.712 830 R HA 0.436 4.775 4.340 -0.002 0.000 0.272 830 R C -1.245 175.104 176.300 0.082 0.000 1.032 830 R CA -0.814 55.351 56.100 0.107 0.000 0.874 830 R CB 0.557 30.863 30.300 0.010 0.000 1.256 830 R HN 0.391 nan 8.270 nan 0.000 0.468 831 S N 0.766 116.489 115.700 0.040 0.000 2.523 831 S HA 0.400 4.869 4.470 -0.002 0.000 0.275 831 S C -0.570 174.039 174.600 0.015 0.000 1.281 831 S CA -0.131 58.087 58.200 0.030 0.000 1.050 831 S CB 0.477 63.687 63.200 0.016 0.000 0.937 831 S HN 0.567 nan 8.310 nan 0.000 0.492 832 D N -0.133 120.284 120.400 0.029 0.000 2.871 832 D HA 0.122 4.761 4.640 -0.002 0.000 0.330 832 D C -0.903 175.421 176.300 0.040 0.000 1.364 832 D CA -0.367 53.648 54.000 0.025 0.000 0.759 832 D CB 0.923 41.731 40.800 0.014 0.000 1.325 832 D HN 0.531 nan 8.370 nan 0.000 0.452 833 S N -0.141 115.585 115.700 0.042 0.000 2.592 833 S HA 0.331 4.801 4.470 -0.002 0.000 0.271 833 S C 1.356 175.997 174.600 0.068 0.000 1.326 833 S CA -0.308 57.922 58.200 0.051 0.000 1.024 833 S CB 1.562 64.790 63.200 0.047 0.000 0.921 833 S HN 0.489 nan 8.310 nan 0.000 0.527 834 R N 1.083 121.627 120.500 0.073 0.000 2.096 834 R HA -0.194 4.145 4.340 -0.002 0.000 0.240 834 R C 2.356 178.708 176.300 0.086 0.000 1.139 834 R CA 2.000 58.149 56.100 0.082 0.000 0.952 834 R CB -0.569 29.786 30.300 0.091 0.000 0.854 834 R HN 0.948 nan 8.270 nan 0.000 0.436 835 E N 0.728 120.983 120.200 0.090 0.000 2.085 835 E HA -0.216 4.133 4.350 -0.002 0.000 0.194 835 E C 1.617 178.284 176.600 0.113 0.000 0.994 835 E CA 1.325 57.783 56.400 0.096 0.000 0.801 835 E CB 0.038 29.787 29.700 0.082 0.000 0.743 835 E HN 0.247 nan 8.360 nan 0.000 0.453 836 N N 0.443 119.202 118.700 0.098 0.000 2.142 836 N HA -0.116 4.623 4.740 -0.002 0.000 0.186 836 N C 1.982 177.584 175.510 0.154 0.000 1.023 836 N CA 0.906 54.025 53.050 0.115 0.000 0.852 836 N CB -0.213 38.314 38.487 0.066 0.000 0.998 836 N HN 0.253 nan 8.380 nan 0.000 0.424 837 L N 0.538 121.849 121.223 0.147 0.000 2.093 837 L HA -0.055 4.284 4.340 -0.002 0.000 0.208 837 L C 2.234 179.267 176.870 0.271 0.000 1.085 837 L CA 0.923 55.900 54.840 0.228 0.000 0.755 837 L CB -0.216 42.000 42.059 0.261 0.000 0.904 837 L HN 0.088 nan 8.230 nan 0.000 0.435 838 R N -1.412 119.188 120.500 0.166 0.000 2.189 838 R HA -0.160 4.180 4.340 -0.002 0.000 0.223 838 R C 2.127 178.496 176.300 0.115 0.000 1.092 838 R CA 0.811 56.967 56.100 0.093 0.000 0.989 838 R CB -0.224 30.049 30.300 -0.045 0.000 0.876 838 R HN 0.331 nan 8.270 nan 0.000 0.457 839 H N -0.863 118.254 119.070 0.079 0.000 2.384 839 H HA -0.051 4.504 4.556 -0.002 0.000 0.300 839 H C 1.927 177.260 175.328 0.008 0.000 1.057 839 H CA 1.629 57.749 56.048 0.120 0.000 1.370 839 H CB 0.057 29.916 29.762 0.160 0.000 1.417 839 H HN 0.213 nan 8.280 nan 0.000 0.527 840 H N -0.648 118.379 119.070 -0.071 0.000 2.319 840 H HA -0.132 4.423 4.556 -0.002 0.000 0.299 840 H C 1.266 176.325 175.328 -0.449 0.000 1.092 840 H CA 2.101 57.984 56.048 -0.275 0.000 1.302 840 H CB -0.528 29.026 29.762 -0.346 0.000 1.373 840 H HN 0.305 nan 8.280 nan 0.000 0.497 841 F N 1.015 120.814 119.950 -0.251 0.000 2.771 841 F HA 0.061 4.587 4.527 -0.002 0.000 0.299 841 F C 0.482 176.004 175.800 -0.463 0.000 1.177 841 F CA 1.050 58.848 58.000 -0.337 0.000 1.450 841 F CB -0.236 38.668 39.000 -0.160 0.000 1.114 841 F HN 0.260 nan 8.300 nan 0.000 0.587 842 E N -0.833 119.013 120.200 -0.591 0.000 2.340 842 E HA -0.177 4.172 4.350 -0.002 0.000 0.240 842 E C 0.524 176.771 176.600 -0.589 0.000 1.154 842 E CA 0.465 56.143 56.400 -1.202 0.000 0.717 842 E CB -1.843 27.153 29.700 -1.172 0.000 1.250 842 E HN 0.406 nan 8.360 nan 0.000 0.386 843 V N -3.098 116.653 119.914 -0.270 0.000 3.398 843 V HA 0.089 4.208 4.120 -0.002 0.000 0.298 843 V C 0.675 176.757 176.094 -0.021 0.000 1.496 843 V CA 0.351 62.592 62.300 -0.099 0.000 1.044 843 V CB 0.111 31.886 31.823 -0.079 0.000 0.880 843 V HN 0.287 nan 8.190 nan 0.000 0.443 844 D N 1.500 121.922 120.400 0.037 0.000 2.393 844 D HA 0.463 5.102 4.640 -0.002 0.000 0.246 844 D C 1.638 178.006 176.300 0.113 0.000 1.275 844 D CA 0.416 54.459 54.000 0.072 0.000 0.979 844 D CB 1.162 42.053 40.800 0.153 0.000 1.101 844 D HN 0.181 nan 8.370 nan 0.000 0.505 845 A N 0.284 123.173 122.820 0.115 0.000 1.892 845 A HA -0.232 4.087 4.320 -0.002 0.000 0.218 845 A C 2.178 179.659 177.584 -0.173 0.000 1.188 845 A CA 3.131 55.178 52.037 0.017 0.000 0.631 845 A CB -1.485 17.532 19.000 0.029 0.000 0.822 845 A HN 0.711 nan 8.150 nan 0.000 0.447 846 S N -1.681 113.836 115.700 -0.305 0.000 2.399 846 S HA -0.182 4.287 4.470 -0.002 0.000 0.231 846 S C 1.839 176.106 174.600 -0.556 0.000 1.022 846 S CA 1.457 59.147 58.200 -0.850 0.000 0.983 846 S CB -0.787 61.885 63.200 -0.880 0.000 0.803 846 S HN 0.582 nan 8.310 nan 0.000 0.480 847 Y N 1.486 121.656 120.300 -0.216 0.000 2.337 847 Y HA 0.098 4.647 4.550 -0.002 0.000 0.293 847 Y C 2.706 178.532 175.900 -0.122 0.000 1.123 847 Y CA 0.675 58.689 58.100 -0.143 0.000 1.201 847 Y CB -0.421 37.964 38.460 -0.125 0.000 1.011 847 Y HN 0.127 nan 8.280 nan 0.000 0.545 848 V N -1.167 118.760 119.914 0.022 0.000 2.343 848 V HA -0.258 3.861 4.120 -0.002 0.000 0.247 848 V C 2.155 178.222 176.094 -0.045 0.000 1.051 848 V CA 1.509 63.808 62.300 -0.001 0.000 1.036 848 V CB -0.752 31.079 31.823 0.014 0.000 0.654 848 V HN 0.211 nan 8.190 nan 0.000 0.451 849 V N -0.417 119.429 119.914 -0.114 0.000 2.261 849 V HA -0.221 3.898 4.120 -0.002 0.000 0.246 849 V C 2.425 178.462 176.094 -0.095 0.000 1.047 849 V CA 1.977 64.209 62.300 -0.114 0.000 1.015 849 V CB -0.394 31.332 31.823 -0.162 0.000 0.642 849 V HN 0.399 nan 8.190 nan 0.000 0.446 850 V N 0.188 120.048 119.914 -0.089 0.000 2.490 850 V HA -0.247 3.872 4.120 -0.002 0.000 0.250 850 V C 2.612 178.683 176.094 -0.038 0.000 1.061 850 V CA 1.926 64.201 62.300 -0.041 0.000 1.064 850 V CB -0.938 30.858 31.823 -0.045 0.000 0.670 850 V HN 0.568 nan 8.190 nan 0.000 0.461 851 A N -0.277 122.528 122.820 -0.026 0.000 1.929 851 A HA -0.005 4.314 4.320 -0.002 0.000 0.216 851 A C 2.404 179.970 177.584 -0.029 0.000 1.176 851 A CA 1.753 53.779 52.037 -0.018 0.000 0.628 851 A CB -0.597 18.396 19.000 -0.013 0.000 0.816 851 A HN 0.539 nan 8.150 nan 0.000 0.444 852 A N -0.089 122.709 122.820 -0.035 0.000 1.873 852 A HA 0.008 4.328 4.320 -0.002 0.000 0.215 852 A C 2.134 179.690 177.584 -0.047 0.000 1.186 852 A CA 1.384 53.403 52.037 -0.030 0.000 0.616 852 A CB -0.602 18.383 19.000 -0.025 0.000 0.823 852 A HN 0.450 nan 8.150 nan 0.000 0.442 853 L N -0.610 120.560 121.223 -0.088 0.000 2.083 853 L HA -0.120 4.219 4.340 -0.002 0.000 0.209 853 L C 2.809 179.644 176.870 -0.057 0.000 1.083 853 L CA 0.984 55.759 54.840 -0.109 0.000 0.752 853 L CB -0.881 41.055 42.059 -0.205 0.000 0.899 853 L HN 0.503 nan 8.230 nan 0.000 0.433 854 G N -0.045 108.729 108.800 -0.043 0.000 2.440 854 G HA2 -0.246 3.713 3.960 -0.002 0.000 0.218 854 G HA3 -0.246 3.713 3.960 -0.002 0.000 0.218 854 G C 1.415 176.305 174.900 -0.016 0.000 1.154 854 G CA 0.657 45.743 45.100 -0.024 0.000 0.767 854 G HN 0.444 nan 8.290 nan 0.000 0.552 855 E N 0.141 120.333 120.200 -0.014 0.000 2.072 855 E HA -0.013 4.336 4.350 -0.002 0.000 0.191 855 E C 2.528 179.128 176.600 0.000 0.000 0.985 855 E CA 0.489 56.887 56.400 -0.003 0.000 0.801 855 E CB -0.217 29.485 29.700 0.003 0.000 0.750 855 E HN 0.387 nan 8.360 nan 0.000 0.452 856 L N 0.521 121.742 121.223 -0.003 0.000 2.275 856 L HA -0.112 4.227 4.340 -0.002 0.000 0.215 856 L C 2.442 179.314 176.870 0.004 0.000 1.119 856 L CA 0.691 55.533 54.840 0.003 0.000 0.790 856 L CB -0.341 41.719 42.059 0.001 0.000 0.919 856 L HN 0.146 nan 8.230 nan 0.000 0.443 857 A N -0.159 122.660 122.820 -0.002 0.000 1.935 857 A HA -0.092 4.227 4.320 -0.002 0.000 0.214 857 A C 2.213 179.799 177.584 0.003 0.000 1.178 857 A CA 0.779 52.816 52.037 0.001 0.000 0.640 857 A CB -0.126 18.872 19.000 -0.003 0.000 0.825 857 A HN 0.235 nan 8.150 nan 0.000 0.447 858 K N -0.491 119.909 120.400 0.001 0.000 2.439 858 K HA -0.000 4.319 4.320 -0.002 0.000 0.197 858 K C 1.663 178.266 176.600 0.005 0.000 1.041 858 K CA 0.689 56.977 56.287 0.002 0.000 0.970 858 K CB -0.009 32.492 32.500 0.001 0.000 0.773 858 K HN 0.370 nan 8.250 nan 0.000 0.479 859 R N -1.063 119.441 120.500 0.007 0.000 2.282 859 R HA 0.053 4.392 4.340 -0.002 0.000 0.195 859 R C 1.110 177.416 176.300 0.010 0.000 0.909 859 R CA 0.610 56.716 56.100 0.009 0.000 1.039 859 R CB 0.833 31.140 30.300 0.012 0.000 1.015 859 R HN 0.321 nan 8.270 nan 0.000 0.513 860 G N 1.007 109.813 108.800 0.010 0.000 2.194 860 G HA2 -0.272 3.687 3.960 -0.002 0.000 0.236 860 G HA3 -0.272 3.687 3.960 -0.002 0.000 0.236 860 G C 0.666 175.575 174.900 0.015 0.000 0.987 860 G CA 0.216 45.322 45.100 0.011 0.000 0.635 860 G HN 0.365 nan 8.290 nan 0.000 0.520 861 E N 0.027 120.237 120.200 0.017 0.000 2.265 861 E HA 0.096 4.445 4.350 -0.002 0.000 0.196 861 E C 1.362 177.978 176.600 0.027 0.000 0.996 861 E CA 1.315 57.728 56.400 0.022 0.000 0.832 861 E CB -0.013 29.701 29.700 0.024 0.000 0.756 861 E HN 0.904 nan 8.360 nan 0.000 0.491 862 I N -2.534 118.051 120.570 0.025 0.000 3.006 862 I HA 0.352 4.521 4.170 -0.002 0.000 0.306 862 I C -1.075 175.056 176.117 0.024 0.000 1.250 862 I CA -1.421 59.898 61.300 0.033 0.000 0.996 862 I CB 2.233 40.258 38.000 0.043 0.000 1.261 862 I HN -0.350 nan 8.210 nan 0.000 0.442 863 D N 2.876 123.292 120.400 0.028 0.000 2.345 863 D HA 0.228 4.867 4.640 -0.002 0.000 0.247 863 D C 0.783 177.094 176.300 0.018 0.000 1.108 863 D CA -0.170 53.842 54.000 0.021 0.000 0.894 863 D CB 1.612 42.424 40.800 0.021 0.000 1.203 863 D HN 0.600 nan 8.370 nan 0.000 0.430 864 K N 1.979 122.386 120.400 0.011 0.000 2.173 864 K HA -0.218 4.101 4.320 -0.002 0.000 0.207 864 K C 1.639 178.245 176.600 0.010 0.000 1.046 864 K CA 1.204 57.496 56.287 0.007 0.000 0.929 864 K CB 0.003 32.506 32.500 0.005 0.000 0.720 864 K HN 0.427 nan 8.250 nan 0.000 0.453 865 K N 0.647 121.055 120.400 0.013 0.000 2.211 865 K HA -0.127 4.192 4.320 -0.002 0.000 0.204 865 K C 1.973 178.587 176.600 0.024 0.000 1.047 865 K CA 0.898 57.194 56.287 0.015 0.000 0.935 865 K CB -0.084 32.424 32.500 0.013 0.000 0.728 865 K HN 0.006 nan 8.250 nan 0.000 0.452 866 V N 0.277 120.213 119.914 0.037 0.000 2.667 866 V HA -0.130 3.989 4.120 -0.002 0.000 0.252 866 V C 1.658 177.778 176.094 0.044 0.000 1.065 866 V CA 1.250 63.592 62.300 0.071 0.000 1.083 866 V CB 0.195 32.088 31.823 0.116 0.000 0.692 866 V HN 0.068 nan 8.190 nan 0.000 0.468 867 V N 0.391 120.309 119.914 0.006 0.000 2.591 867 V HA -0.001 4.118 4.120 -0.002 0.000 0.249 867 V C 2.742 178.837 176.094 0.001 0.000 1.053 867 V CA 1.484 63.775 62.300 -0.015 0.000 1.068 867 V CB -0.739 31.069 31.823 -0.024 0.000 0.689 867 V HN 0.592 nan 8.190 nan 0.000 0.462 868 A N -0.137 122.686 122.820 0.005 0.000 1.969 868 A HA -0.194 4.125 4.320 -0.002 0.000 0.218 868 A C 1.942 179.524 177.584 -0.003 0.000 1.169 868 A CA 1.770 53.808 52.037 0.003 0.000 0.635 868 A CB -0.370 18.632 19.000 0.003 0.000 0.810 868 A HN 0.531 nan 8.150 nan 0.000 0.445 869 D N -0.128 120.271 120.400 -0.001 0.000 2.249 869 D HA 0.097 4.736 4.640 -0.002 0.000 0.205 869 D C 2.164 178.425 176.300 -0.066 0.000 0.962 869 D CA 1.099 55.086 54.000 -0.022 0.000 0.860 869 D CB -0.219 40.577 40.800 -0.007 0.000 0.955 869 D HN 0.416 nan 8.370 nan 0.000 0.505 870 A N 1.165 123.963 122.820 -0.038 0.000 1.933 870 A HA -0.121 4.198 4.320 -0.002 0.000 0.218 870 A C 2.313 179.842 177.584 -0.091 0.000 1.175 870 A CA 0.709 52.667 52.037 -0.131 0.000 0.628 870 A CB -0.634 18.410 19.000 0.073 0.000 0.814 870 A HN 0.144 nan 8.150 nan 0.000 0.444 871 I N -0.350 120.231 120.570 0.018 0.000 2.163 871 I HA -0.315 3.854 4.170 -0.002 0.000 0.243 871 I C 2.988 179.110 176.117 0.009 0.000 1.085 871 I CA 1.219 62.542 61.300 0.038 0.000 1.347 871 I CB -0.361 37.647 38.000 0.014 0.000 1.044 871 I HN 0.386 nan 8.210 nan 0.000 0.408 872 A N 0.454 123.257 122.820 -0.029 0.000 1.873 872 A HA -0.237 4.082 4.320 -0.002 0.000 0.215 872 A C 2.378 179.921 177.584 -0.068 0.000 1.186 872 A CA 1.657 53.675 52.037 -0.031 0.000 0.616 872 A CB -0.538 18.442 19.000 -0.033 0.000 0.823 872 A HN 0.296 nan 8.150 nan 0.000 0.442 873 K N -1.390 118.910 120.400 -0.167 0.000 2.113 873 K HA -0.164 4.155 4.320 -0.002 0.000 0.208 873 K C 0.739 177.173 176.600 -0.277 0.000 1.047 873 K CA 1.664 57.780 56.287 -0.286 0.000 0.928 873 K CB -0.258 31.955 32.500 -0.479 0.000 0.716 873 K HN 0.428 nan 8.250 nan 0.000 0.446 874 F N 1.570 121.523 119.950 0.006 0.000 2.692 874 F HA 0.156 4.682 4.527 -0.002 0.000 0.303 874 F C 0.138 175.944 175.800 0.010 0.000 1.114 874 F CA -0.230 57.771 58.000 0.002 0.000 1.361 874 F CB -0.287 38.697 39.000 -0.026 0.000 1.063 874 F HN 0.063 nan 8.300 nan 0.000 0.550 875 N N 1.123 119.899 118.700 0.126 0.000 2.727 875 N HA -0.245 4.494 4.740 -0.002 0.000 0.249 875 N C -0.294 175.321 175.510 0.176 0.000 1.048 875 N CA 0.554 53.667 53.050 0.105 0.000 0.714 875 N CB -1.547 36.981 38.487 0.069 0.000 0.959 875 N HN 0.341 nan 8.380 nan 0.000 0.544 876 I N 0.658 121.314 120.570 0.143 0.000 2.325 876 I HA 0.034 4.203 4.170 -0.002 0.000 0.291 876 I C 0.734 176.904 176.117 0.089 0.000 1.019 876 I CA -0.433 60.927 61.300 0.099 0.000 1.302 876 I CB 0.892 38.805 38.000 -0.145 0.000 1.401 876 I HN -0.081 nan 8.210 nan 0.000 0.485 877 D N 6.309 126.788 120.400 0.131 0.000 2.435 877 D HA 0.211 4.850 4.640 -0.002 0.000 0.230 877 D C 0.987 177.334 176.300 0.077 0.000 1.215 877 D CA -0.107 53.951 54.000 0.095 0.000 0.947 877 D CB 1.319 42.181 40.800 0.103 0.000 1.048 877 D HN 0.629 nan 8.370 nan 0.000 0.512 878 A N 3.846 126.700 122.820 0.055 0.000 2.076 878 A HA -0.146 4.173 4.320 -0.002 0.000 0.220 878 A C 1.352 178.957 177.584 0.035 0.000 1.160 878 A CA 1.115 53.180 52.037 0.046 0.000 0.653 878 A CB 0.076 19.095 19.000 0.031 0.000 0.801 878 A HN 0.571 nan 8.150 nan 0.000 0.455 879 D N -0.327 120.092 120.400 0.032 0.000 2.402 879 D HA 0.077 4.716 4.640 -0.002 0.000 0.216 879 D C 0.137 176.449 176.300 0.019 0.000 1.128 879 D CA -0.044 53.969 54.000 0.021 0.000 0.833 879 D CB 0.173 40.984 40.800 0.019 0.000 0.971 879 D HN 0.728 nan 8.370 nan 0.000 0.503 880 K N 0.346 120.760 120.400 0.023 0.000 2.219 880 K HA 0.260 4.579 4.320 -0.002 0.000 0.258 880 K C 0.407 177.003 176.600 -0.007 0.000 1.008 880 K CA -0.618 55.679 56.287 0.016 0.000 0.928 880 K CB 1.588 34.103 32.500 0.025 0.000 0.983 880 K HN -0.243 nan 8.250 nan 0.000 0.484 881 V N 2.112 122.023 119.914 -0.005 0.000 2.999 881 V HA -0.077 4.042 4.120 -0.002 0.000 0.307 881 V C 0.207 176.269 176.094 -0.054 0.000 1.084 881 V CA -0.219 62.072 62.300 -0.015 0.000 1.155 881 V CB 0.625 32.450 31.823 0.005 0.000 0.975 881 V HN 0.985 nan 8.190 nan 0.000 0.490 882 N N 5.906 124.575 118.700 -0.051 0.000 2.412 882 N HA 0.090 4.830 4.740 -0.002 0.000 0.258 882 N C -1.788 173.660 175.510 -0.104 0.000 1.236 882 N CA -0.928 52.073 53.050 -0.082 0.000 0.882 882 N CB 1.471 39.926 38.487 -0.053 0.000 1.066 882 N HN 0.430 nan 8.380 nan 0.000 0.465 883 P HA -0.128 nan 4.420 nan 0.000 0.218 883 P C 1.189 178.472 177.300 -0.028 0.000 1.146 883 P CA 1.112 64.060 63.100 -0.255 0.000 0.813 883 P CB 0.158 31.606 31.700 -0.421 0.000 0.778 884 R N -0.277 120.211 120.500 -0.019 0.000 2.148 884 R HA -0.043 4.296 4.340 -0.002 0.000 0.227 884 R C 1.762 178.079 176.300 0.029 0.000 1.103 884 R CA 1.044 57.145 56.100 0.001 0.000 0.983 884 R CB -0.507 29.774 30.300 -0.032 0.000 0.874 884 R HN 0.232 nan 8.270 nan 0.000 0.451 885 L N -0.052 121.189 121.223 0.030 0.000 2.513 885 L HA 0.245 4.584 4.340 -0.002 0.000 0.222 885 L C 1.226 178.148 176.870 0.087 0.000 1.096 885 L CA -0.159 54.714 54.840 0.055 0.000 0.857 885 L CB -0.050 42.024 42.059 0.026 0.000 1.026 885 L HN 0.115 nan 8.230 nan 0.000 0.469 886 A N 0.000 122.873 122.820 0.089 0.000 2.254 886 A HA 0.000 4.319 4.320 -0.002 0.000 0.244 886 A CA 0.000 52.103 52.037 0.110 0.000 0.836 886 A CB 0.000 19.094 19.000 0.157 0.000 0.831 886 A HN 0.000 nan 8.150 nan 0.000 0.486