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 2qey_1_A DATA FIRST_RESID 3 DATA SEQUENCE PQLHNGLDFS AKVIQGSLDS LPQEVRKFVE GNAQLCQPEY IHICDGSEEE DATA SEQUENCE YGRLLAHMQE EGVIRKLKKY DNCWLALTDP RDVARIESKT VIITQEQRDT DATA SEQUENCE VPIPKSGQSQ LGRWMSEEDF EKAFNARFPG CMKGRTMYVI PFSMGPLGSP DATA SEQUENCE LAKIGIELTD SPYVVASMRI MTRMGTSVLE ALGDGEFIKC LHSVGCPLPL DATA SEQUENCE KKPLVNNWAC NPELTLIAHL PDRREIISFG SGYGGNSLLG KKCFALRIAS DATA SEQUENCE RLAKEEGWLA EHMLILGITN PEGKKKYLAA AFPSACGKTN LAMMNPTLPG DATA SEQUENCE WKVECVGDDI AWMKFDAQGN LRAINPENGF FGVAPGTSVK TNPNAIKTIQ DATA SEQUENCE KNTIFTNVAE TSDGGVYWEG IDEPLAPGVT ITSWKNKEWR PQDEEPCAHP DATA SEQUENCE NSRFCTPASQ CPIIDPAWES PEGVPIEGII FGGRRPAGVP LVYEALSWQH DATA SEQUENCE GVFVGAAMRS EXXXXXXXXX XVIMHDPFAM RPFFGYNFGK YLAHWLSMAH DATA SEQUENCE RPAAKLPKIF HVNWFRKDKN GKFLWPGFGE NSRVLEWMFG RIEGEDSAKL DATA SEQUENCE TPIGYVPKED ALNLKGLGDV NVEELFGISK EFWEKEVEEI DKYLEDQVNA DATA SEQUENCE DLPYEIEREL RALKQRISQM 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 3 P HA 0.000 nan 4.420 nan 0.000 0.216 3 P C 0.000 177.314 177.300 0.023 0.000 1.155 3 P CA 0.000 63.112 63.100 0.019 0.000 0.800 3 P CB 0.000 31.707 31.700 0.012 0.000 0.726 4 Q N -0.570 119.235 119.800 0.009 0.000 2.503 4 Q HA 0.441 5.003 4.340 0.370 0.000 0.268 4 Q C -0.855 175.121 176.000 -0.039 0.000 0.982 4 Q CA -0.992 54.816 55.803 0.009 0.000 0.907 4 Q CB 1.226 29.984 28.738 0.034 0.000 1.467 4 Q HN 0.233 nan 8.270 nan 0.000 0.394 5 L N 0.683 121.859 121.223 -0.079 0.000 2.509 5 L HA 0.150 4.712 4.340 0.370 0.000 0.222 5 L C 0.790 177.343 176.870 -0.530 0.000 1.123 5 L CA 0.665 55.346 54.840 -0.266 0.000 0.856 5 L CB -0.109 41.778 42.059 -0.288 0.000 0.985 5 L HN 0.655 nan 8.230 nan 0.000 0.456 6 H N -1.677 117.391 119.070 -0.003 0.000 4.265 6 H HA 0.361 5.139 4.556 0.369 0.000 0.401 6 H C -0.124 175.193 175.328 -0.017 0.000 1.309 6 H CA -0.612 55.429 56.048 -0.010 0.000 0.947 6 H CB 0.702 30.457 29.762 -0.012 0.000 0.953 6 H HN -0.134 nan 8.280 nan 0.000 0.744 7 N N 0.141 118.921 118.700 0.132 0.000 2.595 7 N HA 0.139 5.100 4.740 0.370 0.000 0.291 7 N C 0.427 175.918 175.510 -0.032 0.000 1.706 7 N CA 0.160 53.226 53.050 0.026 0.000 0.867 7 N CB 1.341 39.827 38.487 -0.001 0.000 1.414 7 N HN 0.624 nan 8.380 nan 0.000 0.492 8 G N -0.464 108.336 108.800 -0.001 0.000 3.044 8 G HA2 0.176 4.358 3.960 0.370 0.000 0.223 8 G HA3 0.176 4.358 3.960 0.370 0.000 0.223 8 G C 1.209 176.112 174.900 0.005 0.000 1.123 8 G CA 0.087 45.162 45.100 -0.042 0.000 0.765 8 G HN 0.162 nan 8.290 nan 0.000 0.546 9 L N -0.407 120.849 121.223 0.055 0.000 2.500 9 L HA 0.264 4.826 4.340 0.370 0.000 0.219 9 L C 0.308 177.298 176.870 0.201 0.000 1.057 9 L CA -0.072 54.860 54.840 0.153 0.000 0.854 9 L CB 0.286 42.417 42.059 0.119 0.000 1.078 9 L HN -0.027 nan 8.230 nan 0.000 0.480 10 D N 0.132 120.584 120.400 0.088 0.000 2.336 10 D HA 0.061 4.923 4.640 0.370 0.000 0.249 10 D C 0.083 176.409 176.300 0.043 0.000 1.213 10 D CA 0.048 54.104 54.000 0.094 0.000 0.870 10 D CB 0.769 41.593 40.800 0.042 0.000 1.076 10 D HN -0.034 nan 8.370 nan 0.000 0.483 11 F N 1.823 121.784 119.950 0.017 0.000 2.645 11 F HA 0.063 4.814 4.527 0.373 0.000 0.300 11 F C 2.244 178.054 175.800 0.018 0.000 1.115 11 F CA -0.201 57.808 58.000 0.016 0.000 1.355 11 F CB 0.394 39.400 39.000 0.011 0.000 1.026 11 F HN 0.292 nan 8.300 nan 0.000 0.536 12 S N 0.342 116.115 115.700 0.121 0.000 2.383 12 S HA -0.244 4.448 4.470 0.370 0.000 0.229 12 S C 2.395 177.027 174.600 0.054 0.000 1.030 12 S CA 1.257 59.503 58.200 0.078 0.000 1.002 12 S CB -0.302 62.926 63.200 0.047 0.000 0.829 12 S HN 0.451 nan 8.310 nan 0.000 0.467 13 A N 0.898 123.733 122.820 0.024 0.000 2.121 13 A HA 0.017 4.559 4.320 0.370 0.000 0.218 13 A C 1.839 179.459 177.584 0.059 0.000 1.154 13 A CA 0.997 53.044 52.037 0.017 0.000 0.679 13 A CB -0.164 18.823 19.000 -0.021 0.000 0.795 13 A HN 0.421 nan 8.150 nan 0.000 0.458 14 K N -0.445 120.017 120.400 0.103 0.000 2.358 14 K HA 0.227 4.769 4.320 0.370 0.000 0.197 14 K C -0.535 176.192 176.600 0.211 0.000 1.025 14 K CA -0.160 56.251 56.287 0.207 0.000 1.104 14 K CB 0.793 33.433 32.500 0.233 0.000 0.855 14 K HN 0.231 nan 8.250 nan 0.000 0.531 15 V N 3.311 123.296 119.914 0.118 0.000 2.470 15 V HA 0.043 4.384 4.120 0.370 0.000 0.276 15 V C 1.160 177.243 176.094 -0.019 0.000 1.040 15 V CA 0.120 62.452 62.300 0.053 0.000 1.008 15 V CB 0.481 32.324 31.823 0.033 0.000 0.990 15 V HN 0.261 nan 8.190 nan 0.000 0.477 16 I N 1.464 121.991 120.570 -0.073 0.000 3.941 16 I HA 0.400 4.791 4.170 0.370 0.000 0.321 16 I C 0.645 176.657 176.117 -0.174 0.000 1.284 16 I CA 0.347 61.554 61.300 -0.155 0.000 1.226 16 I CB 0.323 38.157 38.000 -0.277 0.000 1.045 16 I HN 0.618 nan 8.210 nan 0.000 0.420 17 Q N 1.408 121.063 119.800 -0.243 0.000 2.284 17 Q HA 0.533 5.095 4.340 0.370 0.000 0.269 17 Q C -0.150 175.720 176.000 -0.217 0.000 1.026 17 Q CA 0.082 55.695 55.803 -0.316 0.000 0.831 17 Q CB 2.207 30.518 28.738 -0.713 0.000 1.322 17 Q HN 0.491 nan 8.270 nan 0.000 0.419 18 G N 1.726 110.446 108.800 -0.133 0.000 2.568 18 G HA2 -0.145 4.037 3.960 0.370 0.000 0.222 18 G HA3 -0.145 4.037 3.960 0.370 0.000 0.222 18 G C -0.900 173.972 174.900 -0.047 0.000 1.321 18 G CA -0.202 44.851 45.100 -0.077 0.000 0.893 18 G HN 1.011 nan 8.290 nan 0.000 0.569 19 S N -1.479 114.205 115.700 -0.026 0.000 2.566 19 S HA 0.558 5.250 4.470 0.370 0.000 0.273 19 S C 1.099 175.701 174.600 0.004 0.000 1.157 19 S CA 0.188 58.383 58.200 -0.008 0.000 0.938 19 S CB 1.218 64.414 63.200 -0.007 0.000 1.087 19 S HN 1.070 nan 8.310 nan 0.000 0.474 20 L N 2.732 123.966 121.223 0.018 0.000 2.141 20 L HA -0.028 4.533 4.340 0.370 0.000 0.209 20 L C 1.675 178.561 176.870 0.026 0.000 1.094 20 L CA 1.020 55.876 54.840 0.028 0.000 0.763 20 L CB -0.292 41.796 42.059 0.049 0.000 0.908 20 L HN 0.655 nan 8.230 nan 0.000 0.437 21 D N -0.358 120.055 120.400 0.022 0.000 2.178 21 D HA -0.134 4.728 4.640 0.370 0.000 0.202 21 D C 2.331 178.639 176.300 0.014 0.000 0.974 21 D CA 1.687 55.699 54.000 0.019 0.000 0.841 21 D CB 0.066 40.875 40.800 0.016 0.000 0.953 21 D HN 0.382 nan 8.370 nan 0.000 0.478 22 S N -0.182 115.523 115.700 0.008 0.000 2.470 22 S HA 0.023 4.715 4.470 0.370 0.000 0.225 22 S C 1.173 175.774 174.600 0.001 0.000 1.006 22 S CA -0.215 57.987 58.200 0.003 0.000 0.934 22 S CB -0.228 62.971 63.200 -0.002 0.000 0.778 22 S HN 0.089 nan 8.310 nan 0.000 0.517 23 L N 2.406 123.631 121.223 0.003 0.000 2.461 23 L HA 0.299 4.861 4.340 0.370 0.000 0.272 23 L C -2.232 174.642 176.870 0.006 0.000 1.197 23 L CA -1.924 52.915 54.840 -0.002 0.000 0.836 23 L CB -0.219 41.843 42.059 0.003 0.000 1.105 23 L HN 0.072 nan 8.230 nan 0.000 0.477 24 P HA -0.028 nan 4.420 nan 0.000 0.267 24 P C 0.158 177.487 177.300 0.049 0.000 1.200 24 P CA -0.078 63.033 63.100 0.019 0.000 0.772 24 P CB 0.559 32.263 31.700 0.007 0.000 0.855 25 Q N 1.640 121.478 119.800 0.063 0.000 2.062 25 Q HA -0.279 4.283 4.340 0.370 0.000 0.209 25 Q C 1.482 177.551 176.000 0.116 0.000 0.996 25 Q CA 1.734 57.582 55.803 0.076 0.000 0.859 25 Q CB -0.087 28.689 28.738 0.064 0.000 0.920 25 Q HN 0.396 nan 8.270 nan 0.000 0.415 26 E N -0.512 119.785 120.200 0.161 0.000 2.204 26 E HA -0.120 4.452 4.350 0.370 0.000 0.194 26 E C 2.070 178.897 176.600 0.378 0.000 0.989 26 E CA 0.843 57.394 56.400 0.252 0.000 0.824 26 E CB -0.064 29.804 29.700 0.280 0.000 0.756 26 E HN 0.267 nan 8.360 nan 0.000 0.477 27 V N 1.198 121.251 119.914 0.232 0.000 2.307 27 V HA -0.195 4.147 4.120 0.370 0.000 0.245 27 V C 2.589 178.782 176.094 0.165 0.000 1.045 27 V CA 1.621 63.981 62.300 0.099 0.000 1.024 27 V CB -0.478 31.246 31.823 -0.166 0.000 0.651 27 V HN 0.181 nan 8.190 nan 0.000 0.449 28 R N 0.327 120.893 120.500 0.109 0.000 2.091 28 R HA -0.200 4.362 4.340 0.370 0.000 0.238 28 R C 2.410 178.772 176.300 0.103 0.000 1.136 28 R CA 1.793 57.944 56.100 0.084 0.000 0.959 28 R CB -0.167 30.173 30.300 0.066 0.000 0.856 28 R HN 0.490 nan 8.270 nan 0.000 0.437 29 K N -0.542 119.944 120.400 0.144 0.000 2.097 29 K HA -0.174 4.368 4.320 0.370 0.000 0.206 29 K C 1.942 178.655 176.600 0.187 0.000 1.049 29 K CA 1.432 57.804 56.287 0.142 0.000 0.933 29 K CB -0.318 32.266 32.500 0.140 0.000 0.717 29 K HN 0.129 nan 8.250 nan 0.000 0.442 30 F N 1.698 121.710 119.950 0.103 0.000 2.102 30 F HA -0.193 4.555 4.527 0.370 0.000 0.298 30 F C 1.893 177.728 175.800 0.058 0.000 1.105 30 F CA 1.074 59.141 58.000 0.112 0.000 1.239 30 F CB -0.449 38.692 39.000 0.235 0.000 0.991 30 F HN -0.291 nan 8.300 nan 0.000 0.474 31 V N 0.561 120.404 119.914 -0.118 0.000 2.270 31 V HA -0.262 4.080 4.120 0.370 0.000 0.245 31 V C 2.383 178.327 176.094 -0.250 0.000 1.043 31 V CA 2.292 64.438 62.300 -0.257 0.000 1.014 31 V CB -0.743 31.016 31.823 -0.107 0.000 0.645 31 V HN 0.308 nan 8.190 nan 0.000 0.447 32 E N 0.231 120.346 120.200 -0.143 0.000 2.106 32 E HA -0.140 4.432 4.350 0.370 0.000 0.192 32 E C 2.309 178.795 176.600 -0.189 0.000 0.984 32 E CA 1.171 57.467 56.400 -0.175 0.000 0.806 32 E CB -0.442 29.256 29.700 -0.003 0.000 0.750 32 E HN 0.647 nan 8.360 nan 0.000 0.458 33 G N 1.491 110.239 108.800 -0.086 0.000 2.418 33 G HA2 -0.253 3.928 3.960 0.370 0.000 0.217 33 G HA3 -0.253 3.928 3.960 0.370 0.000 0.217 33 G C 1.475 176.323 174.900 -0.087 0.000 1.158 33 G CA 0.548 45.625 45.100 -0.039 0.000 0.771 33 G HN 0.146 nan 8.290 nan 0.000 0.545 34 N N 0.855 119.454 118.700 -0.169 0.000 2.416 34 N HA 0.034 4.995 4.740 0.370 0.000 0.177 34 N C 2.480 177.854 175.510 -0.227 0.000 1.036 34 N CA 0.841 53.790 53.050 -0.169 0.000 0.901 34 N CB -0.066 38.270 38.487 -0.251 0.000 0.976 34 N HN 0.308 nan 8.380 nan 0.000 0.444 35 A N 1.380 123.954 122.820 -0.410 0.000 1.898 35 A HA -0.165 4.376 4.320 0.370 0.000 0.216 35 A C 2.159 179.378 177.584 -0.609 0.000 1.181 35 A CA 1.181 52.797 52.037 -0.701 0.000 0.620 35 A CB -0.537 17.652 19.000 -1.352 0.000 0.819 35 A HN 0.273 nan 8.150 nan 0.000 0.442 36 Q N -1.090 118.460 119.800 -0.418 0.000 2.096 36 Q HA -0.168 4.394 4.340 0.370 0.000 0.204 36 Q C 2.098 178.123 176.000 0.040 0.000 0.982 36 Q CA 1.628 57.444 55.803 0.021 0.000 0.850 36 Q CB -0.315 28.479 28.738 0.093 0.000 0.901 36 Q HN 0.644 nan 8.270 nan 0.000 0.422 37 L N -0.496 120.723 121.223 -0.007 0.000 2.023 37 L HA -0.104 4.458 4.340 0.370 0.000 0.205 37 L C 1.935 178.819 176.870 0.024 0.000 1.073 37 L CA 1.671 56.528 54.840 0.027 0.000 0.745 37 L CB -0.348 41.743 42.059 0.053 0.000 0.900 37 L HN 0.227 nan 8.230 nan 0.000 0.435 38 C N -0.204 119.103 119.300 0.011 0.000 2.514 38 C HA 0.141 4.822 4.460 0.370 0.000 0.271 38 C C 0.743 175.745 174.990 0.019 0.000 1.399 38 C CA -0.464 58.575 59.018 0.034 0.000 1.765 38 C CB -0.819 26.957 27.740 0.060 0.000 1.893 38 C HN 0.674 nan 8.230 nan 0.000 0.531 39 Q N -0.439 119.377 119.800 0.027 0.000 2.460 39 Q HA -0.151 4.410 4.340 0.370 0.000 0.311 39 Q C -2.388 173.644 176.000 0.055 0.000 1.396 39 Q CA 0.730 56.586 55.803 0.088 0.000 0.838 39 Q CB -1.616 27.165 28.738 0.072 0.000 1.140 39 Q HN 0.464 nan 8.270 nan 0.000 0.415 40 P HA 0.013 nan 4.420 nan 0.000 0.274 40 P C 0.718 178.019 177.300 0.001 0.000 1.237 40 P CA -0.016 63.083 63.100 -0.001 0.000 0.793 40 P CB 0.774 32.459 31.700 -0.025 0.000 0.977 41 E N 0.855 120.979 120.200 -0.126 0.000 2.072 41 E HA -0.133 4.439 4.350 0.370 0.000 0.191 41 E C -0.257 176.106 176.600 -0.395 0.000 0.985 41 E CA 1.198 57.393 56.400 -0.343 0.000 0.801 41 E CB 0.023 29.387 29.700 -0.560 0.000 0.750 41 E HN 0.421 nan 8.360 nan 0.000 0.452 42 Y N -0.927 119.377 120.300 0.005 0.000 2.576 42 Y HA 0.477 5.248 4.550 0.368 0.000 0.346 42 Y C -0.421 175.457 175.900 -0.037 0.000 1.018 42 Y CA -1.114 56.982 58.100 -0.007 0.000 1.050 42 Y CB 1.481 39.914 38.460 -0.045 0.000 1.280 42 Y HN -0.134 nan 8.280 nan 0.000 0.474 43 I N 1.688 122.364 120.570 0.178 0.000 2.389 43 I HA 0.260 4.652 4.170 0.370 0.000 0.288 43 I C -1.027 175.116 176.117 0.044 0.000 0.999 43 I CA -0.546 60.790 61.300 0.061 0.000 1.129 43 I CB 1.372 39.406 38.000 0.057 0.000 1.288 43 I HN 0.620 nan 8.210 nan 0.000 0.444 44 H N 6.907 125.916 119.070 -0.102 0.000 2.638 44 H HA 0.517 5.294 4.556 0.369 0.000 0.303 44 H C -0.754 174.605 175.328 0.052 0.000 1.034 44 H CA -0.509 55.513 56.048 -0.043 0.000 1.225 44 H CB 0.873 30.583 29.762 -0.087 0.000 1.394 44 H HN 0.488 nan 8.280 nan 0.000 0.477 45 I N 6.049 126.585 120.570 -0.056 0.000 2.322 45 I HA 0.057 4.449 4.170 0.370 0.000 0.292 45 I C 0.161 176.311 176.117 0.054 0.000 1.060 45 I CA -0.434 60.885 61.300 0.030 0.000 1.309 45 I CB 0.254 38.244 38.000 -0.016 0.000 1.415 45 I HN 0.620 nan 8.210 nan 0.000 0.492 46 C N 5.210 124.655 119.300 0.242 0.000 2.662 46 C HA 0.020 4.702 4.460 0.370 0.000 0.420 46 C C 1.524 176.590 174.990 0.127 0.000 1.314 46 C CA -0.356 58.821 59.018 0.266 0.000 1.963 46 C CB -0.193 27.692 27.740 0.242 0.000 2.686 46 C HN 0.821 nan 8.230 nan 0.000 0.609 47 D N -0.170 120.299 120.400 0.116 0.000 2.417 47 D HA 0.172 5.034 4.640 0.370 0.000 0.207 47 D C 1.439 177.773 176.300 0.057 0.000 1.075 47 D CA 0.671 54.709 54.000 0.064 0.000 0.851 47 D CB -0.275 40.551 40.800 0.043 0.000 0.976 47 D HN 0.949 nan 8.370 nan 0.000 0.505 48 G N 0.620 109.461 108.800 0.068 0.000 2.162 48 G HA2 -0.296 3.886 3.960 0.370 0.000 0.260 48 G HA3 -0.296 3.886 3.960 0.370 0.000 0.260 48 G C 0.432 175.347 174.900 0.024 0.000 0.976 48 G CA 0.648 45.765 45.100 0.029 0.000 0.655 48 G HN 0.859 nan 8.290 nan 0.000 0.533 49 S N -0.623 115.111 115.700 0.057 0.000 2.614 49 S HA 0.546 5.238 4.470 0.370 0.000 0.265 49 S C 1.183 175.840 174.600 0.095 0.000 1.303 49 S CA 0.629 58.866 58.200 0.061 0.000 1.000 49 S CB 1.932 65.171 63.200 0.064 0.000 0.935 49 S HN 0.429 nan 8.310 nan 0.000 0.551 50 E N 0.735 120.994 120.200 0.098 0.000 2.110 50 E HA -0.187 4.385 4.350 0.370 0.000 0.193 50 E C 1.840 178.540 176.600 0.166 0.000 0.988 50 E CA 1.896 58.391 56.400 0.157 0.000 0.804 50 E CB -0.387 29.389 29.700 0.126 0.000 0.745 50 E HN 0.844 nan 8.360 nan 0.000 0.458 51 E N 0.266 120.534 120.200 0.113 0.000 2.038 51 E HA -0.284 4.288 4.350 0.370 0.000 0.195 51 E C 2.054 178.711 176.600 0.095 0.000 1.000 51 E CA 1.476 57.931 56.400 0.091 0.000 0.803 51 E CB -0.217 29.526 29.700 0.071 0.000 0.750 51 E HN 0.480 nan 8.360 nan 0.000 0.448 52 E N -0.584 119.686 120.200 0.117 0.000 2.085 52 E HA -0.257 4.314 4.350 0.370 0.000 0.194 52 E C 2.055 178.721 176.600 0.111 0.000 0.994 52 E CA 1.259 57.736 56.400 0.129 0.000 0.801 52 E CB -0.350 29.454 29.700 0.173 0.000 0.743 52 E HN 0.352 nan 8.360 nan 0.000 0.453 53 Y N 0.821 121.115 120.300 -0.010 0.000 2.114 53 Y HA -0.041 4.731 4.550 0.370 0.000 0.284 53 Y C 2.266 178.130 175.900 -0.060 0.000 1.143 53 Y CA 2.089 60.159 58.100 -0.051 0.000 1.135 53 Y CB -0.947 37.495 38.460 -0.029 0.000 0.980 53 Y HN 0.095 nan 8.280 nan 0.000 0.499 54 G N -0.011 108.727 108.800 -0.103 0.000 2.440 54 G HA2 -0.271 3.911 3.960 0.370 0.000 0.218 54 G HA3 -0.271 3.911 3.960 0.370 0.000 0.218 54 G C 1.820 176.642 174.900 -0.130 0.000 1.154 54 G CA 0.978 45.984 45.100 -0.157 0.000 0.767 54 G HN 0.383 nan 8.290 nan 0.000 0.552 55 R N -0.821 119.647 120.500 -0.053 0.000 2.092 55 R HA 0.062 4.624 4.340 0.370 0.000 0.231 55 R C 2.441 178.711 176.300 -0.051 0.000 1.119 55 R CA 0.828 56.913 56.100 -0.025 0.000 0.970 55 R CB -0.414 29.892 30.300 0.011 0.000 0.864 55 R HN 0.336 nan 8.270 nan 0.000 0.440 56 L N 0.828 121.991 121.223 -0.100 0.000 2.093 56 L HA -0.084 4.477 4.340 0.370 0.000 0.208 56 L C 1.862 178.610 176.870 -0.204 0.000 1.085 56 L CA 1.510 56.285 54.840 -0.107 0.000 0.755 56 L CB -0.234 41.730 42.059 -0.159 0.000 0.904 56 L HN 0.129 nan 8.230 nan 0.000 0.435 57 L N -0.894 120.075 121.223 -0.424 0.000 2.046 57 L HA -0.189 4.372 4.340 0.370 0.000 0.208 57 L C 2.637 179.178 176.870 -0.549 0.000 1.077 57 L CA 1.260 55.652 54.840 -0.746 0.000 0.747 57 L CB -0.898 40.396 42.059 -1.275 0.000 0.896 57 L HN 0.329 nan 8.230 nan 0.000 0.432 58 A N -1.173 121.493 122.820 -0.257 0.000 1.933 58 A HA -0.274 4.267 4.320 0.370 0.000 0.218 58 A C 2.274 179.872 177.584 0.024 0.000 1.175 58 A CA 1.681 53.699 52.037 -0.031 0.000 0.628 58 A CB -0.933 18.095 19.000 0.047 0.000 0.814 58 A HN 0.560 nan 8.150 nan 0.000 0.444 59 H N -0.893 118.129 119.070 -0.079 0.000 2.357 59 H HA -0.025 4.752 4.556 0.369 0.000 0.301 59 H C 2.005 177.316 175.328 -0.029 0.000 1.082 59 H CA 1.723 57.750 56.048 -0.035 0.000 1.342 59 H CB -0.123 29.622 29.762 -0.029 0.000 1.389 59 H HN 0.454 nan 8.280 nan 0.000 0.511 60 M N 0.418 119.889 119.600 -0.215 0.000 2.175 60 M HA -0.186 4.516 4.480 0.370 0.000 0.264 60 M C 2.627 178.865 176.300 -0.102 0.000 1.063 60 M CA 1.465 56.636 55.300 -0.215 0.000 1.119 60 M CB -0.192 32.315 32.600 -0.154 0.000 1.377 60 M HN 0.388 nan 8.290 nan 0.000 0.415 61 Q N 0.488 120.260 119.800 -0.048 0.000 2.050 61 Q HA -0.261 4.301 4.340 0.370 0.000 0.202 61 Q C 1.829 177.867 176.000 0.064 0.000 0.980 61 Q CA 1.868 57.728 55.803 0.094 0.000 0.840 61 Q CB 0.023 28.903 28.738 0.237 0.000 0.898 61 Q HN 0.347 nan 8.270 nan 0.000 0.424 62 E N 0.736 120.954 120.200 0.030 0.000 2.150 62 E HA -0.170 4.402 4.350 0.370 0.000 0.193 62 E C 1.218 177.816 176.600 -0.003 0.000 0.985 62 E CA 1.413 57.832 56.400 0.032 0.000 0.814 62 E CB 0.056 29.790 29.700 0.057 0.000 0.752 62 E HN 0.403 nan 8.360 nan 0.000 0.466 63 E N -1.103 119.052 120.200 -0.076 0.000 2.481 63 E HA 0.058 4.630 4.350 0.370 0.000 0.195 63 E C 0.788 177.375 176.600 -0.022 0.000 1.047 63 E CA 0.408 56.760 56.400 -0.080 0.000 0.867 63 E CB 0.085 29.665 29.700 -0.200 0.000 0.858 63 E HN 0.445 nan 8.360 nan 0.000 0.513 64 G N 0.929 109.735 108.800 0.011 0.000 2.148 64 G HA2 -0.296 3.886 3.960 0.370 0.000 0.254 64 G HA3 -0.296 3.886 3.960 0.370 0.000 0.254 64 G C 1.001 175.945 174.900 0.073 0.000 0.981 64 G CA 0.461 45.592 45.100 0.051 0.000 0.670 64 G HN 0.250 nan 8.290 nan 0.000 0.528 65 V N 0.510 120.457 119.914 0.055 0.000 2.488 65 V HA 0.208 4.550 4.120 0.370 0.000 0.246 65 V C 1.572 177.774 176.094 0.180 0.000 1.046 65 V CA 2.058 64.419 62.300 0.102 0.000 1.053 65 V CB -0.370 31.474 31.823 0.036 0.000 0.679 65 V HN 0.799 nan 8.190 nan 0.000 0.458 66 I N -2.672 117.998 120.570 0.167 0.000 2.934 66 I HA 0.628 5.019 4.170 0.370 0.000 0.306 66 I C -0.526 175.764 176.117 0.289 0.000 1.110 66 I CA -1.123 60.331 61.300 0.256 0.000 1.019 66 I CB 2.289 40.455 38.000 0.277 0.000 1.227 66 I HN -0.191 nan 8.210 nan 0.000 0.434 67 R N 2.315 123.015 120.500 0.333 0.000 2.664 67 R HA 0.455 5.017 4.340 0.370 0.000 0.286 67 R C -0.770 175.734 176.300 0.341 0.000 0.967 67 R CA -1.010 55.261 56.100 0.286 0.000 0.933 67 R CB 2.311 32.718 30.300 0.179 0.000 1.146 67 R HN 0.575 nan 8.270 nan 0.000 0.468 68 K N 2.987 123.484 120.400 0.162 0.000 2.276 68 K HA 0.203 4.745 4.320 0.370 0.000 0.283 68 K C -0.647 175.843 176.600 -0.183 0.000 1.044 68 K CA -0.296 55.833 56.287 -0.263 0.000 0.944 68 K CB 0.613 32.843 32.500 -0.450 0.000 1.012 68 K HN 0.430 nan 8.250 nan 0.000 0.472 69 L N 6.852 127.942 121.223 -0.221 0.000 2.302 69 L HA 0.164 4.726 4.340 0.370 0.000 0.285 69 L C 1.403 178.147 176.870 -0.210 0.000 1.090 69 L CA -0.209 54.554 54.840 -0.129 0.000 0.866 69 L CB 0.588 42.666 42.059 0.032 0.000 1.244 69 L HN 0.697 nan 8.230 nan 0.000 0.435 70 K N 1.934 122.206 120.400 -0.213 0.000 2.362 70 K HA -0.155 4.387 4.320 0.370 0.000 0.200 70 K C 1.654 178.106 176.600 -0.246 0.000 1.046 70 K CA 0.882 57.047 56.287 -0.203 0.000 0.952 70 K CB 0.095 32.505 32.500 -0.150 0.000 0.753 70 K HN 0.413 nan 8.250 nan 0.000 0.466 71 K N 0.056 120.210 120.400 -0.410 0.000 2.148 71 K HA -0.055 4.487 4.320 0.370 0.000 0.204 71 K C -0.218 176.077 176.600 -0.508 0.000 1.050 71 K CA 0.825 56.770 56.287 -0.570 0.000 0.942 71 K CB 0.111 32.055 32.500 -0.927 0.000 0.724 71 K HN 0.109 nan 8.250 nan 0.000 0.446 72 Y N -0.058 120.203 120.300 -0.066 0.000 2.654 72 Y HA 0.224 4.997 4.550 0.371 0.000 0.327 72 Y C -0.248 175.622 175.900 -0.051 0.000 1.122 72 Y CA -2.162 55.916 58.100 -0.037 0.000 1.227 72 Y CB 0.346 38.809 38.460 0.005 0.000 1.370 72 Y HN -0.128 nan 8.280 nan 0.000 0.528 73 D N 1.252 121.754 120.400 0.169 0.000 2.365 73 D HA 0.072 4.934 4.640 0.370 0.000 0.237 73 D C -0.166 176.177 176.300 0.071 0.000 1.190 73 D CA -0.012 54.037 54.000 0.082 0.000 0.867 73 D CB -0.352 40.498 40.800 0.083 0.000 1.050 73 D HN 0.614 nan 8.370 nan 0.000 0.491 74 N N 2.701 121.395 118.700 -0.010 0.000 2.714 74 N HA -0.216 4.746 4.740 0.370 0.000 0.253 74 N C -1.591 173.891 175.510 -0.047 0.000 1.024 74 N CA 0.503 53.538 53.050 -0.025 0.000 0.726 74 N CB -1.419 37.170 38.487 0.171 0.000 0.908 74 N HN 0.301 nan 8.380 nan 0.000 0.542 75 C N 0.278 119.445 119.300 -0.221 0.000 2.435 75 C HA 0.798 5.479 4.460 0.370 0.000 0.333 75 C C -0.097 174.715 174.990 -0.296 0.000 1.202 75 C CA -0.559 58.458 59.018 -0.001 0.000 1.830 75 C CB 0.442 28.381 27.740 0.332 0.000 2.326 75 C HN 0.552 nan 8.230 nan 0.000 0.507 76 W N 1.698 123.200 121.300 0.337 0.000 2.962 76 W HA 0.719 5.601 4.660 0.370 0.000 0.341 76 W C -0.848 175.895 176.519 0.374 0.000 1.155 76 W CA -0.727 56.786 57.345 0.279 0.000 1.165 76 W CB 1.057 30.633 29.460 0.192 0.000 1.435 76 W HN 0.326 nan 8.180 nan 0.000 0.546 77 L N 2.491 124.038 121.223 0.540 0.000 2.409 77 L HA 0.902 5.463 4.340 0.370 0.000 0.272 77 L C -0.857 176.245 176.870 0.387 0.000 0.980 77 L CA -0.827 54.278 54.840 0.442 0.000 0.826 77 L CB 1.409 43.654 42.059 0.310 0.000 1.268 77 L HN 0.520 nan 8.230 nan 0.000 0.407 78 A N 6.022 129.065 122.820 0.372 0.000 2.331 78 A HA 0.810 5.351 4.320 0.370 0.000 0.320 78 A C -1.377 176.296 177.584 0.148 0.000 1.138 78 A CA -0.523 51.684 52.037 0.283 0.000 0.790 78 A CB 0.827 20.041 19.000 0.357 0.000 1.206 78 A HN 0.694 nan 8.150 nan 0.000 0.470 79 L N 2.941 124.218 121.223 0.090 0.000 2.305 79 L HA 0.492 5.053 4.340 0.370 0.000 0.284 79 L C 0.769 177.544 176.870 -0.157 0.000 1.013 79 L CA -0.623 54.237 54.840 0.033 0.000 0.819 79 L CB 1.870 43.977 42.059 0.081 0.000 1.227 79 L HN 0.913 nan 8.230 nan 0.000 0.417 80 T N -2.135 112.188 114.554 -0.385 0.000 2.862 80 T HA 0.186 4.757 4.350 0.370 0.000 0.276 80 T C -0.003 174.478 174.700 -0.366 0.000 0.974 80 T CA -0.822 60.731 62.100 -0.911 0.000 0.966 80 T CB 1.593 69.612 68.868 -1.416 0.000 1.072 80 T HN 0.454 nan 8.240 nan 0.000 0.538 81 D N 2.002 122.237 120.400 -0.274 0.000 2.450 81 D HA 0.102 4.963 4.640 0.370 0.000 0.247 81 D C -1.042 175.228 176.300 -0.050 0.000 1.162 81 D CA -1.928 52.063 54.000 -0.015 0.000 0.879 81 D CB 1.227 42.146 40.800 0.199 0.000 1.163 81 D HN 0.278 nan 8.370 nan 0.000 0.472 82 P HA -0.148 nan 4.420 nan 0.000 0.220 82 P C 0.926 178.257 177.300 0.053 0.000 1.144 82 P CA 0.952 64.094 63.100 0.070 0.000 0.800 82 P CB 0.262 31.974 31.700 0.021 0.000 0.772 83 R N -0.523 120.000 120.500 0.038 0.000 2.193 83 R HA -0.011 4.550 4.340 0.370 0.000 0.213 83 R C 0.617 176.936 176.300 0.032 0.000 1.055 83 R CA 0.697 56.824 56.100 0.044 0.000 0.995 83 R CB -0.269 30.066 30.300 0.059 0.000 0.893 83 R HN 0.104 nan 8.270 nan 0.000 0.459 84 D N 0.317 120.730 120.400 0.022 0.000 2.683 84 D HA 0.062 4.924 4.640 0.370 0.000 0.309 84 D C 0.674 176.846 176.300 -0.212 0.000 1.238 84 D CA -0.211 53.814 54.000 0.042 0.000 0.936 84 D CB 0.970 41.959 40.800 0.314 0.000 1.001 84 D HN -0.035 nan 8.370 nan 0.000 0.505 85 V N -0.821 118.847 119.914 -0.411 0.000 3.635 85 V HA 0.776 5.118 4.120 0.370 0.000 0.266 85 V C 0.815 176.116 176.094 -1.321 0.000 1.316 85 V CA 0.475 62.236 62.300 -0.899 0.000 1.060 85 V CB -0.194 31.115 31.823 -0.857 0.000 0.820 85 V HN 0.333 nan 8.190 nan 0.000 0.447 86 A N -0.025 122.349 122.820 -0.744 0.000 2.588 86 A HA 0.702 5.244 4.320 0.370 0.000 0.309 86 A C -0.757 176.819 177.584 -0.013 0.000 1.173 86 A CA -1.090 50.721 52.037 -0.376 0.000 0.631 86 A CB 0.703 19.617 19.000 -0.142 0.000 1.364 86 A HN 0.194 nan 8.150 nan 0.000 0.526 87 R N -0.383 120.186 120.500 0.116 0.000 2.490 87 R HA 0.444 5.005 4.340 0.370 0.000 0.280 87 R C -1.276 175.078 176.300 0.089 0.000 1.077 87 R CA 0.064 56.253 56.100 0.148 0.000 1.065 87 R CB 0.208 30.613 30.300 0.175 0.000 1.003 87 R HN 0.434 nan 8.270 nan 0.000 0.470 88 I N 2.211 122.841 120.570 0.101 0.000 2.388 88 I HA 0.116 4.508 4.170 0.370 0.000 0.281 88 I C 0.919 177.083 176.117 0.079 0.000 1.046 88 I CA 0.006 61.353 61.300 0.079 0.000 1.187 88 I CB 1.390 39.441 38.000 0.086 0.000 1.351 88 I HN 0.593 nan 8.210 nan 0.000 0.472 89 E N 2.445 122.673 120.200 0.046 0.000 2.110 89 E HA -0.202 4.370 4.350 0.370 0.000 0.193 89 E C 1.942 178.571 176.600 0.049 0.000 0.988 89 E CA 1.626 58.043 56.400 0.028 0.000 0.804 89 E CB 0.064 29.751 29.700 -0.022 0.000 0.745 89 E HN 0.805 nan 8.360 nan 0.000 0.458 90 S N 0.769 116.500 115.700 0.051 0.000 2.469 90 S HA -0.108 4.584 4.470 0.370 0.000 0.238 90 S C 1.538 176.184 174.600 0.078 0.000 0.998 90 S CA 0.929 59.165 58.200 0.059 0.000 0.957 90 S CB -0.040 63.191 63.200 0.051 0.000 0.764 90 S HN 0.104 nan 8.310 nan 0.000 0.514 91 K N 0.917 121.374 120.400 0.094 0.000 2.414 91 K HA 0.216 4.758 4.320 0.370 0.000 0.204 91 K C -0.670 176.019 176.600 0.148 0.000 1.026 91 K CA -0.019 56.340 56.287 0.120 0.000 1.108 91 K CB 0.945 33.520 32.500 0.125 0.000 0.855 91 K HN 0.202 nan 8.250 nan 0.000 0.517 92 T N 1.837 116.476 114.554 0.142 0.000 2.772 92 T HA 0.349 4.920 4.350 0.370 0.000 0.288 92 T C -0.383 174.422 174.700 0.174 0.000 0.994 92 T CA -0.687 61.526 62.100 0.189 0.000 0.951 92 T CB 1.259 70.239 68.868 0.187 0.000 0.933 92 T HN -0.010 nan 8.240 nan 0.000 0.447 93 V N 1.378 121.419 119.914 0.211 0.000 3.001 93 V HA 0.791 5.133 4.120 0.370 0.000 0.314 93 V C -0.877 175.333 176.094 0.192 0.000 1.099 93 V CA -1.266 61.123 62.300 0.148 0.000 0.989 93 V CB 1.914 33.779 31.823 0.070 0.000 1.040 93 V HN 0.798 nan 8.190 nan 0.000 0.434 94 I N 2.685 123.319 120.570 0.106 0.000 2.465 94 I HA 0.527 4.919 4.170 0.370 0.000 0.291 94 I C -1.154 174.968 176.117 0.009 0.000 1.014 94 I CA -0.566 60.789 61.300 0.093 0.000 1.093 94 I CB 2.096 40.165 38.000 0.116 0.000 1.267 94 I HN 0.505 nan 8.210 nan 0.000 0.431 95 I N 5.552 126.076 120.570 -0.077 0.000 2.321 95 I HA 0.432 4.824 4.170 0.370 0.000 0.291 95 I C 0.202 176.349 176.117 0.050 0.000 0.998 95 I CA 0.183 61.393 61.300 -0.150 0.000 1.227 95 I CB 1.667 39.495 38.000 -0.288 0.000 1.368 95 I HN 0.618 nan 8.210 nan 0.000 0.466 96 T N 1.027 115.747 114.554 0.277 0.000 2.883 96 T HA 0.341 4.913 4.350 0.370 0.000 0.301 96 T C 0.508 175.465 174.700 0.429 0.000 1.158 96 T CA -0.837 61.455 62.100 0.320 0.000 1.007 96 T CB 1.650 70.694 68.868 0.293 0.000 1.186 96 T HN 0.493 nan 8.240 nan 0.000 0.499 97 Q N 0.090 120.030 119.800 0.234 0.000 2.045 97 Q HA -0.080 4.481 4.340 0.370 0.000 0.206 97 Q C 0.131 176.274 176.000 0.239 0.000 0.991 97 Q CA 1.487 57.413 55.803 0.205 0.000 0.851 97 Q CB 0.073 28.869 28.738 0.097 0.000 0.911 97 Q HN 0.587 nan 8.270 nan 0.000 0.418 98 E N -0.076 120.181 120.200 0.096 0.000 2.171 98 E HA 0.062 4.634 4.350 0.370 0.000 0.271 98 E C 0.099 176.433 176.600 -0.444 0.000 0.916 98 E CA -0.171 56.150 56.400 -0.131 0.000 0.774 98 E CB 1.690 31.322 29.700 -0.113 0.000 1.128 98 E HN 0.216 nan 8.360 nan 0.000 0.403 99 Q N 3.012 122.152 119.800 -1.099 0.000 2.135 99 Q HA -0.226 4.336 4.340 0.370 0.000 0.204 99 Q C 1.869 177.477 176.000 -0.653 0.000 0.981 99 Q CA 1.760 56.592 55.803 -1.617 0.000 0.856 99 Q CB 0.095 27.863 28.738 -1.616 0.000 0.902 99 Q HN 0.411 nan 8.270 nan 0.000 0.425 100 R N 0.226 120.481 120.500 -0.408 0.000 2.159 100 R HA -0.161 4.401 4.340 0.370 0.000 0.237 100 R C 1.095 177.319 176.300 -0.127 0.000 1.131 100 R CA 1.900 57.870 56.100 -0.216 0.000 0.982 100 R CB -0.039 30.164 30.300 -0.162 0.000 0.868 100 R HN 0.328 nan 8.270 nan 0.000 0.453 101 D N -0.971 119.361 120.400 -0.113 0.000 2.277 101 D HA -0.058 4.803 4.640 0.370 0.000 0.208 101 D C 1.174 177.509 176.300 0.059 0.000 0.962 101 D CA 1.255 55.248 54.000 -0.012 0.000 0.865 101 D CB 0.220 41.020 40.800 -0.001 0.000 0.939 101 D HN 0.274 nan 8.370 nan 0.000 0.510 102 T N -0.229 114.338 114.554 0.022 0.000 3.021 102 T HA 0.099 4.671 4.350 0.370 0.000 0.245 102 T C 0.884 175.616 174.700 0.053 0.000 1.028 102 T CA 0.286 62.451 62.100 0.108 0.000 1.139 102 T CB 0.723 69.742 68.868 0.252 0.000 0.884 102 T HN 0.012 nan 8.240 nan 0.000 0.457 103 V N -0.566 119.336 119.914 -0.019 0.000 2.925 103 V HA 0.649 4.991 4.120 0.370 0.000 0.311 103 V C -3.298 172.750 176.094 -0.076 0.000 1.104 103 V CA -3.354 58.924 62.300 -0.037 0.000 0.954 103 V CB 1.908 33.726 31.823 -0.008 0.000 1.022 103 V HN -0.134 nan 8.190 nan 0.000 0.427 104 P HA 0.281 nan 4.420 nan 0.000 0.269 104 P C -0.506 176.742 177.300 -0.086 0.000 1.209 104 P CA -0.116 62.936 63.100 -0.081 0.000 0.776 104 P CB 0.302 31.955 31.700 -0.077 0.000 0.876 105 I N 4.312 124.828 120.570 -0.091 0.000 2.379 105 I HA 0.179 4.571 4.170 0.370 0.000 0.290 105 I C -2.026 174.047 176.117 -0.073 0.000 1.063 105 I CA -2.813 58.436 61.300 -0.086 0.000 1.351 105 I CB -0.244 37.702 38.000 -0.091 0.000 1.410 105 I HN 0.157 nan 8.210 nan 0.000 0.505 106 P HA 0.193 nan 4.420 nan 0.000 0.274 106 P C 0.732 177.997 177.300 -0.058 0.000 1.231 106 P CA -0.527 62.530 63.100 -0.072 0.000 0.790 106 P CB 1.289 32.950 31.700 -0.066 0.000 0.951 107 K N 0.746 121.109 120.400 -0.061 0.000 2.062 107 K HA -0.048 4.494 4.320 0.370 0.000 0.205 107 K C 1.036 177.615 176.600 -0.035 0.000 1.051 107 K CA 1.628 57.888 56.287 -0.046 0.000 0.941 107 K CB 0.109 32.580 32.500 -0.047 0.000 0.719 107 K HN 0.354 nan 8.250 nan 0.000 0.440 108 S N -1.269 114.410 115.700 -0.036 0.000 3.039 108 S HA 0.219 4.910 4.470 0.370 0.000 0.251 108 S C 0.700 175.289 174.600 -0.018 0.000 1.064 108 S CA -0.017 58.169 58.200 -0.023 0.000 0.822 108 S CB 0.917 64.105 63.200 -0.020 0.000 0.802 108 S HN 0.436 nan 8.310 nan 0.000 0.519 109 G N 1.391 110.178 108.800 -0.022 0.000 2.857 109 G HA2 0.554 4.736 3.960 0.370 0.000 0.217 109 G HA3 0.554 4.736 3.960 0.370 0.000 0.217 109 G C -0.889 174.004 174.900 -0.011 0.000 1.357 109 G CA -0.653 44.440 45.100 -0.011 0.000 1.033 109 G HN 0.418 nan 8.290 nan 0.000 0.571 110 Q N -1.037 118.763 119.800 -0.001 0.000 2.227 110 Q HA 0.586 5.148 4.340 0.370 0.000 0.245 110 Q C -0.168 175.831 176.000 -0.002 0.000 0.926 110 Q CA -0.548 55.259 55.803 0.006 0.000 0.895 110 Q CB 1.509 30.260 28.738 0.021 0.000 1.230 110 Q HN 0.327 nan 8.270 nan 0.000 0.450 111 S N 1.079 116.779 115.700 -0.000 0.000 2.533 111 S HA -0.002 4.690 4.470 0.370 0.000 0.282 111 S C 0.257 174.862 174.600 0.008 0.000 1.304 111 S CA -0.174 58.020 58.200 -0.011 0.000 1.063 111 S CB 0.439 63.636 63.200 -0.006 0.000 0.881 111 S HN 0.766 nan 8.310 nan 0.000 0.493 112 Q N 3.673 123.475 119.800 0.003 0.000 2.282 112 Q HA 0.269 4.831 4.340 0.370 0.000 0.206 112 Q C 0.697 176.708 176.000 0.019 0.000 0.878 112 Q CA 0.126 55.944 55.803 0.025 0.000 0.944 112 Q CB 0.225 29.002 28.738 0.066 0.000 1.100 112 Q HN 0.700 nan 8.270 nan 0.000 0.509 113 L N -0.228 120.995 121.223 0.001 0.000 2.628 113 L HA 0.338 4.899 4.340 0.370 0.000 0.229 113 L C 0.680 177.588 176.870 0.063 0.000 1.137 113 L CA -0.222 54.624 54.840 0.010 0.000 0.909 113 L CB 0.611 42.603 42.059 -0.112 0.000 1.137 113 L HN 0.135 nan 8.230 nan 0.000 0.470 114 G N 0.004 108.830 108.800 0.045 0.000 2.336 114 G HA2 0.201 4.382 3.960 0.370 0.000 0.300 114 G HA3 0.201 4.382 3.960 0.370 0.000 0.300 114 G C -1.700 173.247 174.900 0.079 0.000 1.375 114 G CA -0.918 44.218 45.100 0.060 0.000 0.885 114 G HN -0.053 nan 8.290 nan 0.000 0.599 115 R N -0.414 120.149 120.500 0.105 0.000 2.473 115 R HA 0.421 4.982 4.340 0.370 0.000 0.303 115 R C -1.330 175.087 176.300 0.194 0.000 1.002 115 R CA -0.753 55.428 56.100 0.135 0.000 0.884 115 R CB 1.298 31.656 30.300 0.097 0.000 1.173 115 R HN 0.623 nan 8.270 nan 0.000 0.464 116 W N 6.173 127.495 121.300 0.036 0.000 2.316 116 W HA 0.397 5.275 4.660 0.363 0.000 0.321 116 W C -0.923 175.627 176.519 0.052 0.000 1.203 116 W CA -0.544 56.824 57.345 0.038 0.000 1.214 116 W CB 1.018 30.495 29.460 0.029 0.000 1.169 116 W HN 0.414 nan 8.180 nan 0.000 0.561 117 M N 6.091 125.268 119.600 -0.705 0.000 2.327 117 M HA 0.319 5.020 4.480 0.370 0.000 0.298 117 M C -0.115 175.393 176.300 -1.319 0.000 1.065 117 M CA -0.574 54.264 55.300 -0.769 0.000 0.916 117 M CB 1.574 34.007 32.600 -0.278 0.000 1.630 117 M HN 0.541 nan 8.290 nan 0.000 0.442 118 S N 2.713 117.669 115.700 -1.241 0.000 2.584 118 S HA 0.137 4.829 4.470 0.370 0.000 0.270 118 S C 0.577 175.000 174.600 -0.295 0.000 1.346 118 S CA -0.133 57.579 58.200 -0.814 0.000 1.018 118 S CB 0.794 63.769 63.200 -0.376 0.000 0.899 118 S HN 0.883 nan 8.310 nan 0.000 0.542 119 E N 0.862 120.998 120.200 -0.107 0.000 2.097 119 E HA -0.244 4.328 4.350 0.370 0.000 0.196 119 E C 1.962 178.584 176.600 0.035 0.000 1.000 119 E CA 1.580 57.986 56.400 0.009 0.000 0.804 119 E CB -0.178 29.542 29.700 0.034 0.000 0.740 119 E HN 0.914 nan 8.360 nan 0.000 0.454 120 E N 0.891 121.094 120.200 0.005 0.000 2.038 120 E HA -0.251 4.321 4.350 0.370 0.000 0.195 120 E C 1.565 178.163 176.600 -0.002 0.000 1.000 120 E CA 1.553 57.957 56.400 0.006 0.000 0.803 120 E CB 0.064 29.771 29.700 0.012 0.000 0.750 120 E HN 0.155 nan 8.360 nan 0.000 0.448 121 D N -0.267 120.120 120.400 -0.022 0.000 2.144 121 D HA -0.142 4.719 4.640 0.370 0.000 0.200 121 D C 1.674 177.991 176.300 0.029 0.000 0.978 121 D CA 0.662 54.653 54.000 -0.016 0.000 0.833 121 D CB -0.339 40.430 40.800 -0.051 0.000 0.961 121 D HN 0.222 nan 8.370 nan 0.000 0.470 122 F N 1.807 121.706 119.950 -0.085 0.000 2.186 122 F HA -0.116 4.639 4.527 0.380 0.000 0.299 122 F C 2.231 178.046 175.800 0.026 0.000 1.090 122 F CA 1.118 59.096 58.000 -0.036 0.000 1.307 122 F CB 0.018 38.976 39.000 -0.070 0.000 1.019 122 F HN -0.231 nan 8.300 nan 0.000 0.489 123 E N 0.670 120.798 120.200 -0.121 0.000 2.077 123 E HA -0.180 4.392 4.350 0.370 0.000 0.193 123 E C 2.119 178.651 176.600 -0.114 0.000 0.989 123 E CA 1.580 57.881 56.400 -0.165 0.000 0.800 123 E CB -0.152 29.516 29.700 -0.054 0.000 0.746 123 E HN 0.398 nan 8.360 nan 0.000 0.452 124 K N -0.268 120.083 120.400 -0.082 0.000 2.026 124 K HA -0.095 4.447 4.320 0.370 0.000 0.208 124 K C 2.188 178.727 176.600 -0.101 0.000 1.048 124 K CA 1.211 57.458 56.287 -0.066 0.000 0.929 124 K CB -0.248 32.227 32.500 -0.041 0.000 0.713 124 K HN 0.133 nan 8.250 nan 0.000 0.439 125 A N 1.283 124.026 122.820 -0.129 0.000 1.902 125 A HA -0.191 4.350 4.320 0.370 0.000 0.217 125 A C 2.036 179.489 177.584 -0.218 0.000 1.181 125 A CA 1.284 53.234 52.037 -0.145 0.000 0.623 125 A CB -0.743 18.217 19.000 -0.067 0.000 0.818 125 A HN 0.349 nan 8.150 nan 0.000 0.443 126 F N 1.559 121.195 119.950 -0.523 0.000 2.069 126 F HA -0.219 4.528 4.527 0.365 0.000 0.298 126 F C 1.992 177.671 175.800 -0.202 0.000 1.113 126 F CA 2.171 59.913 58.000 -0.430 0.000 1.214 126 F CB -0.257 38.303 39.000 -0.733 0.000 0.978 126 F HN 0.217 nan 8.300 nan 0.000 0.474 127 N N 0.588 119.242 118.700 -0.077 0.000 2.289 127 N HA -0.109 4.853 4.740 0.370 0.000 0.184 127 N C 1.618 177.017 175.510 -0.185 0.000 1.016 127 N CA 1.191 54.177 53.050 -0.106 0.000 0.872 127 N CB -0.611 37.865 38.487 -0.018 0.000 0.973 127 N HN 0.413 nan 8.380 nan 0.000 0.433 128 A N -0.127 122.565 122.820 -0.213 0.000 2.251 128 A HA 0.166 4.707 4.320 0.370 0.000 0.209 128 A C 1.964 179.334 177.584 -0.356 0.000 1.187 128 A CA 0.311 52.216 52.037 -0.219 0.000 0.823 128 A CB 0.170 19.072 19.000 -0.163 0.000 0.846 128 A HN 0.152 nan 8.150 nan 0.000 0.486 129 R N -2.858 117.307 120.500 -0.559 0.000 2.610 129 R HA 0.305 4.867 4.340 0.370 0.000 0.171 129 R C 1.227 176.941 176.300 -0.977 0.000 0.892 129 R CA 0.406 55.844 56.100 -1.104 0.000 1.086 129 R CB -0.150 29.063 30.300 -1.812 0.000 1.320 129 R HN 0.383 nan 8.270 nan 0.000 0.582 130 F N 1.893 121.372 119.950 -0.786 0.000 2.234 130 F HA 0.115 4.861 4.527 0.365 0.000 0.296 130 F C -1.354 174.267 175.800 -0.297 0.000 1.089 130 F CA -0.211 57.479 58.000 -0.517 0.000 1.343 130 F CB -0.850 37.659 39.000 -0.819 0.000 1.040 130 F HN -0.195 nan 8.300 nan 0.000 0.498 131 P HA 0.040 nan 4.420 nan 0.000 0.256 131 P C 0.675 177.949 177.300 -0.043 0.000 1.173 131 P CA 1.585 64.643 63.100 -0.070 0.000 0.768 131 P CB -0.068 31.584 31.700 -0.080 0.000 0.758 132 G N 3.148 111.943 108.800 -0.009 0.000 2.166 132 G HA2 -0.393 3.789 3.960 0.370 0.000 0.260 132 G HA3 -0.393 3.789 3.960 0.370 0.000 0.260 132 G C 1.114 176.010 174.900 -0.006 0.000 0.986 132 G CA 0.311 45.409 45.100 -0.004 0.000 0.683 132 G HN 0.691 nan 8.290 nan 0.000 0.527 133 C N -1.486 117.816 119.300 0.004 0.000 2.437 133 C HA 0.473 5.155 4.460 0.370 0.000 0.283 133 C C 2.303 177.276 174.990 -0.028 0.000 1.424 133 C CA 1.249 60.270 59.018 0.006 0.000 1.782 133 C CB -0.629 27.153 27.740 0.069 0.000 1.833 133 C HN 0.490 nan 8.230 nan 0.000 0.532 134 M N 0.144 119.736 119.600 -0.013 0.000 2.419 134 M HA 0.206 4.908 4.480 0.370 0.000 0.252 134 M C 0.387 176.667 176.300 -0.032 0.000 1.143 134 M CA -0.191 55.093 55.300 -0.027 0.000 0.985 134 M CB -0.108 32.484 32.600 -0.013 0.000 1.489 134 M HN 0.052 nan 8.290 nan 0.000 0.484 135 K N 1.359 121.742 120.400 -0.028 0.000 2.491 135 K HA 0.112 4.654 4.320 0.370 0.000 0.279 135 K C 1.105 177.676 176.600 -0.049 0.000 1.026 135 K CA 1.445 57.712 56.287 -0.034 0.000 1.070 135 K CB -0.118 32.365 32.500 -0.028 0.000 0.887 135 K HN 0.465 nan 8.250 nan 0.000 0.481 136 G N 3.303 112.061 108.800 -0.070 0.000 2.179 136 G HA2 -0.305 3.877 3.960 0.370 0.000 0.260 136 G HA3 -0.305 3.877 3.960 0.370 0.000 0.260 136 G C -0.064 174.795 174.900 -0.069 0.000 0.977 136 G CA 0.455 45.508 45.100 -0.079 0.000 0.641 136 G HN 0.589 nan 8.290 nan 0.000 0.533 137 R N -0.345 120.117 120.500 -0.063 0.000 2.873 137 R HA 0.614 5.176 4.340 0.370 0.000 0.264 137 R C -0.508 175.762 176.300 -0.050 0.000 1.026 137 R CA -0.553 55.528 56.100 -0.031 0.000 1.002 137 R CB 1.061 31.351 30.300 -0.017 0.000 1.174 137 R HN 0.103 nan 8.270 nan 0.000 0.488 138 T N 2.400 116.926 114.554 -0.046 0.000 2.794 138 T HA 0.165 4.737 4.350 0.370 0.000 0.296 138 T C 0.131 174.672 174.700 -0.266 0.000 0.949 138 T CA -0.143 61.853 62.100 -0.174 0.000 1.101 138 T CB 0.515 69.146 68.868 -0.395 0.000 0.905 138 T HN 0.317 nan 8.240 nan 0.000 0.516 139 M N 5.120 124.609 119.600 -0.184 0.000 2.105 139 M HA 0.327 5.029 4.480 0.370 0.000 0.350 139 M C -1.456 174.753 176.300 -0.151 0.000 1.308 139 M CA -0.537 54.698 55.300 -0.108 0.000 1.108 139 M CB 0.101 32.663 32.600 -0.064 0.000 1.622 139 M HN 0.568 nan 8.290 nan 0.000 0.468 140 Y N 3.768 124.122 120.300 0.089 0.000 2.304 140 Y HA 0.403 5.174 4.550 0.369 0.000 0.328 140 Y C -0.032 175.935 175.900 0.111 0.000 1.123 140 Y CA -0.657 57.512 58.100 0.114 0.000 1.218 140 Y CB 1.090 39.591 38.460 0.068 0.000 1.207 140 Y HN 0.351 nan 8.280 nan 0.000 0.495 141 V N 5.828 125.903 119.914 0.268 0.000 2.328 141 V HA 0.286 4.628 4.120 0.370 0.000 0.278 141 V C -0.146 176.081 176.094 0.222 0.000 1.021 141 V CA -0.712 61.705 62.300 0.195 0.000 0.838 141 V CB 0.454 32.346 31.823 0.115 0.000 0.999 141 V HN 0.579 nan 8.190 nan 0.000 0.447 142 I N 7.919 128.635 120.570 0.244 0.000 2.307 142 I HA 0.336 4.727 4.170 0.370 0.000 0.287 142 I C -2.417 173.896 176.117 0.326 0.000 1.054 142 I CA -1.864 59.586 61.300 0.250 0.000 1.218 142 I CB 1.657 39.780 38.000 0.205 0.000 1.398 142 I HN 0.410 nan 8.210 nan 0.000 0.475 143 P HA 0.267 nan 4.420 nan 0.000 0.287 143 P C -1.006 176.417 177.300 0.205 0.000 1.307 143 P CA -0.163 63.019 63.100 0.136 0.000 0.777 143 P CB 0.259 31.981 31.700 0.037 0.000 0.883 144 F N 0.057 120.035 119.950 0.046 0.000 2.588 144 F HA 0.763 5.491 4.527 0.336 0.000 0.310 144 F C -0.615 175.200 175.800 0.025 0.000 1.082 144 F CA -1.416 56.597 58.000 0.021 0.000 0.929 144 F CB 1.435 40.443 39.000 0.014 0.000 1.254 144 F HN 0.147 nan 8.300 nan 0.000 0.455 145 S N 3.610 119.351 115.700 0.068 0.000 2.451 145 S HA 0.607 5.299 4.470 0.370 0.000 0.301 145 S C -0.529 174.054 174.600 -0.027 0.000 1.116 145 S CA -0.800 57.379 58.200 -0.036 0.000 1.093 145 S CB 0.617 63.789 63.200 -0.046 0.000 1.017 145 S HN 0.636 nan 8.310 nan 0.000 0.482 146 M N 4.608 124.116 119.600 -0.153 0.000 2.365 146 M HA 0.430 5.131 4.480 0.370 0.000 0.350 146 M C 0.645 176.712 176.300 -0.389 0.000 1.274 146 M CA 0.122 55.205 55.300 -0.363 0.000 1.252 146 M CB -0.479 31.704 32.600 -0.695 0.000 1.297 146 M HN 1.028 nan 8.290 nan 0.000 0.438 147 G N 5.062 113.670 108.800 -0.321 0.000 2.497 147 G HA2 -0.015 4.166 3.960 0.370 0.000 0.686 147 G HA3 -0.015 4.166 3.960 0.370 0.000 0.686 147 G C -3.406 171.375 174.900 -0.198 0.000 1.288 147 G CA -1.406 43.535 45.100 -0.266 0.000 0.899 147 G HN 0.339 nan 8.290 nan 0.000 0.608 148 P HA 0.226 nan 4.420 nan 0.000 0.264 148 P C 1.409 178.621 177.300 -0.147 0.000 1.183 148 P CA -0.333 62.637 63.100 -0.217 0.000 0.763 148 P CB 0.555 32.108 31.700 -0.246 0.000 0.807 149 L N 3.627 124.775 121.223 -0.127 0.000 2.021 149 L HA -0.184 4.378 4.340 0.370 0.000 0.215 149 L C 2.339 179.165 176.870 -0.075 0.000 1.074 149 L CA 2.704 57.492 54.840 -0.087 0.000 0.760 149 L CB -1.358 40.657 42.059 -0.074 0.000 0.889 149 L HN 0.584 nan 8.230 nan 0.000 0.433 150 G N -2.543 106.207 108.800 -0.083 0.000 2.985 150 G HA2 -0.047 4.135 3.960 0.370 0.000 0.209 150 G HA3 -0.047 4.135 3.960 0.370 0.000 0.209 150 G C 0.700 175.556 174.900 -0.073 0.000 1.165 150 G CA 0.360 45.418 45.100 -0.070 0.000 0.776 150 G HN 0.267 nan 8.290 nan 0.000 0.541 151 S N 1.419 117.066 115.700 -0.088 0.000 2.533 151 S HA 0.244 4.936 4.470 0.370 0.000 0.282 151 S C -0.437 174.116 174.600 -0.079 0.000 1.304 151 S CA -1.051 57.094 58.200 -0.091 0.000 1.063 151 S CB 1.415 64.550 63.200 -0.108 0.000 0.881 151 S HN 0.100 nan 8.310 nan 0.000 0.493 152 P HA -0.012 nan 4.420 nan 0.000 0.230 152 P C 0.727 177.944 177.300 -0.139 0.000 1.158 152 P CA 0.610 63.655 63.100 -0.092 0.000 0.769 152 P CB 0.099 31.748 31.700 -0.086 0.000 0.807 153 L N -1.131 120.005 121.223 -0.145 0.000 2.567 153 L HA 0.238 4.800 4.340 0.370 0.000 0.225 153 L C 1.403 178.236 176.870 -0.062 0.000 1.119 153 L CA -0.062 54.653 54.840 -0.209 0.000 0.871 153 L CB -0.774 41.188 42.059 -0.163 0.000 1.036 153 L HN -0.148 nan 8.230 nan 0.000 0.459 154 A N -0.023 122.788 122.820 -0.014 0.000 2.351 154 A HA 0.550 5.092 4.320 0.370 0.000 0.257 154 A C 0.138 177.811 177.584 0.148 0.000 1.087 154 A CA -0.222 51.860 52.037 0.075 0.000 0.798 154 A CB 0.374 19.360 19.000 -0.024 0.000 1.033 154 A HN -0.005 nan 8.150 nan 0.000 0.488 155 K N 1.126 121.700 120.400 0.291 0.000 2.375 155 K HA 0.593 5.135 4.320 0.370 0.000 0.249 155 K C -1.192 175.541 176.600 0.223 0.000 0.942 155 K CA -0.322 56.157 56.287 0.320 0.000 0.806 155 K CB 2.101 34.959 32.500 0.595 0.000 1.227 155 K HN 0.639 nan 8.250 nan 0.000 0.430 156 I N 0.661 121.353 120.570 0.204 0.000 2.460 156 I HA 0.447 4.839 4.170 0.370 0.000 0.298 156 I C 0.583 176.738 176.117 0.064 0.000 0.989 156 I CA -0.558 60.767 61.300 0.041 0.000 1.173 156 I CB 2.054 40.059 38.000 0.009 0.000 1.338 156 I HN 0.621 nan 8.210 nan 0.000 0.456 157 G N 5.995 114.538 108.800 -0.427 0.000 2.533 157 G HA2 0.724 4.906 3.960 0.370 0.000 0.304 157 G HA3 0.724 4.906 3.960 0.370 0.000 0.304 157 G C -1.117 173.487 174.900 -0.494 0.000 1.263 157 G CA -0.393 44.396 45.100 -0.518 0.000 0.964 157 G HN 0.319 nan 8.290 nan 0.000 0.479 158 I N 1.070 121.653 120.570 0.021 0.000 2.439 158 I HA 0.328 4.720 4.170 0.370 0.000 0.283 158 I C -0.360 176.092 176.117 0.558 0.000 1.023 158 I CA -0.591 60.851 61.300 0.237 0.000 1.100 158 I CB 1.532 39.608 38.000 0.126 0.000 1.238 158 I HN 0.582 nan 8.210 nan 0.000 0.445 159 E N 7.110 127.687 120.200 0.629 0.000 2.156 159 E HA 0.533 5.104 4.350 0.370 0.000 0.279 159 E C -1.279 175.540 176.600 0.365 0.000 0.965 159 E CA -0.628 56.079 56.400 0.511 0.000 0.789 159 E CB 1.400 31.326 29.700 0.377 0.000 1.098 159 E HN 0.485 nan 8.360 nan 0.000 0.397 160 L N 3.693 125.108 121.223 0.321 0.000 2.275 160 L HA 0.469 5.030 4.340 0.370 0.000 0.288 160 L C 0.236 177.255 176.870 0.248 0.000 1.046 160 L CA -0.479 54.475 54.840 0.190 0.000 0.805 160 L CB 1.644 43.700 42.059 -0.005 0.000 1.193 160 L HN 0.466 nan 8.230 nan 0.000 0.426 161 T N -0.419 114.290 114.554 0.258 0.000 2.900 161 T HA 0.280 4.852 4.350 0.370 0.000 0.303 161 T C -0.413 174.459 174.700 0.287 0.000 1.142 161 T CA -0.613 61.673 62.100 0.310 0.000 1.007 161 T CB 1.545 70.624 68.868 0.353 0.000 1.156 161 T HN 0.739 nan 8.240 nan 0.000 0.490 162 D N 1.282 121.799 120.400 0.195 0.000 2.368 162 D HA 0.207 5.068 4.640 0.370 0.000 0.218 162 D C 0.339 176.759 176.300 0.200 0.000 1.112 162 D CA -0.200 53.902 54.000 0.169 0.000 0.834 162 D CB 0.225 41.039 40.800 0.025 0.000 0.953 162 D HN 0.249 nan 8.370 nan 0.000 0.505 163 S N 0.626 116.451 115.700 0.208 0.000 2.566 163 S HA 0.432 5.123 4.470 0.370 0.000 0.324 163 S C -2.020 172.564 174.600 -0.028 0.000 1.081 163 S CA -1.477 56.777 58.200 0.090 0.000 1.105 163 S CB 1.751 65.005 63.200 0.091 0.000 0.981 163 S HN -0.265 nan 8.310 nan 0.000 0.464 164 P HA -0.082 nan 4.420 nan 0.000 0.218 164 P C 0.957 178.155 177.300 -0.171 0.000 1.149 164 P CA 0.715 63.621 63.100 -0.323 0.000 0.817 164 P CB -0.104 31.502 31.700 -0.156 0.000 0.785 165 Y N 0.416 120.619 120.300 -0.163 0.000 2.165 165 Y HA -0.221 4.548 4.550 0.365 0.000 0.286 165 Y C 2.012 177.853 175.900 -0.099 0.000 1.155 165 Y CA 1.395 59.441 58.100 -0.090 0.000 1.164 165 Y CB -0.900 37.541 38.460 -0.031 0.000 0.978 165 Y HN -0.274 nan 8.280 nan 0.000 0.513 166 V N -0.821 119.071 119.914 -0.037 0.000 2.358 166 V HA -0.302 4.040 4.120 0.370 0.000 0.246 166 V C 2.326 178.286 176.094 -0.224 0.000 1.047 166 V CA 1.656 63.868 62.300 -0.146 0.000 1.035 166 V CB -0.755 31.025 31.823 -0.072 0.000 0.658 166 V HN 0.372 nan 8.190 nan 0.000 0.452 167 V N 0.509 120.286 119.914 -0.228 0.000 2.255 167 V HA -0.289 4.053 4.120 0.370 0.000 0.247 167 V C 2.738 178.719 176.094 -0.188 0.000 1.051 167 V CA 2.199 64.359 62.300 -0.234 0.000 1.018 167 V CB -1.321 30.263 31.823 -0.398 0.000 0.641 167 V HN 0.556 nan 8.190 nan 0.000 0.445 168 A N -0.227 122.490 122.820 -0.172 0.000 1.908 168 A HA -0.216 4.326 4.320 0.370 0.000 0.218 168 A C 2.464 179.971 177.584 -0.128 0.000 1.181 168 A CA 2.389 54.415 52.037 -0.019 0.000 0.627 168 A CB -0.733 18.249 19.000 -0.031 0.000 0.818 168 A HN 0.525 nan 8.150 nan 0.000 0.445 169 S N -0.577 114.943 115.700 -0.300 0.000 2.406 169 S HA -0.066 4.626 4.470 0.370 0.000 0.228 169 S C 1.937 176.353 174.600 -0.307 0.000 1.020 169 S CA 1.364 59.358 58.200 -0.344 0.000 0.965 169 S CB -0.244 62.631 63.200 -0.541 0.000 0.798 169 S HN 0.460 nan 8.310 nan 0.000 0.488 170 M N 1.042 120.462 119.600 -0.301 0.000 2.254 170 M HA 0.053 4.755 4.480 0.370 0.000 0.265 170 M C 2.159 178.312 176.300 -0.246 0.000 1.066 170 M CA 0.989 56.105 55.300 -0.306 0.000 1.123 170 M CB -0.968 31.441 32.600 -0.318 0.000 1.388 170 M HN 0.268 nan 8.290 nan 0.000 0.425 171 R N 0.556 120.919 120.500 -0.228 0.000 2.096 171 R HA -0.112 4.450 4.340 0.370 0.000 0.235 171 R C 1.950 178.095 176.300 -0.258 0.000 1.127 171 R CA 1.291 57.243 56.100 -0.246 0.000 0.968 171 R CB -0.120 29.963 30.300 -0.361 0.000 0.861 171 R HN 0.322 nan 8.270 nan 0.000 0.440 172 I N -0.062 120.354 120.570 -0.256 0.000 2.277 172 I HA -0.213 4.179 4.170 0.370 0.000 0.243 172 I C 2.057 178.065 176.117 -0.182 0.000 1.094 172 I CA 0.768 61.945 61.300 -0.206 0.000 1.393 172 I CB -0.102 37.806 38.000 -0.153 0.000 1.078 172 I HN 0.145 nan 8.210 nan 0.000 0.417 173 M N 0.298 119.776 119.600 -0.204 0.000 2.506 173 M HA 0.066 4.768 4.480 0.370 0.000 0.260 173 M C 0.979 177.166 176.300 -0.190 0.000 1.104 173 M CA 0.793 55.970 55.300 -0.204 0.000 1.112 173 M CB -1.110 31.335 32.600 -0.258 0.000 1.401 173 M HN 0.345 nan 8.290 nan 0.000 0.473 174 T N -1.688 112.759 114.554 -0.177 0.000 2.887 174 T HA 0.644 5.215 4.350 0.370 0.000 0.292 174 T C -0.391 174.274 174.700 -0.058 0.000 1.087 174 T CA -0.991 61.044 62.100 -0.108 0.000 1.009 174 T CB 2.110 70.919 68.868 -0.098 0.000 1.203 174 T HN -0.000 nan 8.240 nan 0.000 0.518 175 R N 1.281 121.774 120.500 -0.012 0.000 2.210 175 R HA 0.510 5.072 4.340 0.370 0.000 0.338 175 R C -0.142 176.184 176.300 0.044 0.000 1.062 175 R CA -0.272 55.821 56.100 -0.010 0.000 0.902 175 R CB 0.474 30.753 30.300 -0.036 0.000 1.050 175 R HN 0.564 nan 8.270 nan 0.000 0.461 176 M N 2.371 121.982 119.600 0.019 0.000 2.393 176 M HA 0.641 5.343 4.480 0.370 0.000 0.316 176 M C -0.284 176.035 176.300 0.032 0.000 1.087 176 M CA -0.068 55.266 55.300 0.056 0.000 0.937 176 M CB 1.954 34.568 32.600 0.024 0.000 1.668 176 M HN 0.734 nan 8.290 nan 0.000 0.438 177 G N 2.315 111.146 108.800 0.053 0.000 2.302 177 G HA2 -0.080 4.102 3.960 0.370 0.000 0.276 177 G HA3 -0.080 4.102 3.960 0.370 0.000 0.276 177 G C -0.048 174.868 174.900 0.027 0.000 1.316 177 G CA -0.029 45.095 45.100 0.040 0.000 0.988 177 G HN 0.560 nan 8.290 nan 0.000 0.479 178 T N 1.021 115.586 114.554 0.019 0.000 2.746 178 T HA -0.111 4.460 4.350 0.370 0.000 0.267 178 T C 2.897 177.595 174.700 -0.003 0.000 1.039 178 T CA 3.079 65.183 62.100 0.007 0.000 1.142 178 T CB -0.614 68.257 68.868 0.005 0.000 0.866 178 T HN 1.472 nan 8.240 nan 0.000 0.444 179 S N 1.578 117.275 115.700 -0.004 0.000 2.387 179 S HA -0.132 4.560 4.470 0.370 0.000 0.230 179 S C 2.135 176.725 174.600 -0.017 0.000 1.035 179 S CA 1.196 59.389 58.200 -0.012 0.000 1.014 179 S CB -1.059 62.132 63.200 -0.015 0.000 0.836 179 S HN 0.344 nan 8.310 nan 0.000 0.466 180 V N 2.192 122.098 119.914 -0.014 0.000 2.307 180 V HA -0.105 4.236 4.120 0.370 0.000 0.245 180 V C 2.597 178.670 176.094 -0.035 0.000 1.045 180 V CA 1.777 64.063 62.300 -0.022 0.000 1.024 180 V CB -0.931 30.885 31.823 -0.011 0.000 0.651 180 V HN 0.446 nan 8.190 nan 0.000 0.449 181 L N -0.201 121.002 121.223 -0.034 0.000 2.042 181 L HA -0.219 4.343 4.340 0.370 0.000 0.210 181 L C 2.636 179.485 176.870 -0.035 0.000 1.076 181 L CA 1.809 56.620 54.840 -0.048 0.000 0.749 181 L CB -0.616 41.420 42.059 -0.038 0.000 0.893 181 L HN 0.410 nan 8.230 nan 0.000 0.432 182 E N -0.158 120.028 120.200 -0.023 0.000 2.150 182 E HA -0.179 4.392 4.350 0.370 0.000 0.193 182 E C 2.223 178.813 176.600 -0.017 0.000 0.985 182 E CA 1.039 57.429 56.400 -0.017 0.000 0.814 182 E CB -0.113 29.578 29.700 -0.014 0.000 0.752 182 E HN 0.513 nan 8.360 nan 0.000 0.466 183 A N 1.024 123.832 122.820 -0.020 0.000 1.970 183 A HA -0.071 4.471 4.320 0.370 0.000 0.216 183 A C 2.105 179.682 177.584 -0.013 0.000 1.170 183 A CA 0.486 52.512 52.037 -0.019 0.000 0.645 183 A CB -0.312 18.674 19.000 -0.024 0.000 0.816 183 A HN 0.199 nan 8.150 nan 0.000 0.447 184 L N -0.375 120.836 121.223 -0.019 0.000 1.994 184 L HA 0.139 4.701 4.340 0.370 0.000 0.208 184 L C 1.753 178.629 176.870 0.010 0.000 1.071 184 L CA 2.063 56.899 54.840 -0.008 0.000 0.745 184 L CB -1.163 40.869 42.059 -0.045 0.000 0.892 184 L HN 0.712 nan 8.230 nan 0.000 0.431 185 G N -0.731 108.068 108.800 -0.001 0.000 2.634 185 G HA2 -0.406 3.775 3.960 0.370 0.000 0.309 185 G HA3 -0.406 3.775 3.960 0.370 0.000 0.309 185 G C 0.543 175.463 174.900 0.034 0.000 1.265 185 G CA 0.464 45.571 45.100 0.011 0.000 0.998 185 G HN 0.422 nan 8.290 nan 0.000 0.551 186 D N 2.325 122.751 120.400 0.043 0.000 2.319 186 D HA 0.302 5.164 4.640 0.370 0.000 0.230 186 D C 1.490 177.838 176.300 0.079 0.000 1.094 186 D CA 0.908 54.947 54.000 0.065 0.000 0.856 186 D CB -0.386 40.441 40.800 0.045 0.000 0.915 186 D HN 0.670 nan 8.370 nan 0.000 0.517 187 G N 1.131 109.980 108.800 0.081 0.000 2.667 187 G HA2 0.154 4.336 3.960 0.370 0.000 0.250 187 G HA3 0.154 4.336 3.960 0.370 0.000 0.250 187 G C 0.293 175.277 174.900 0.141 0.000 1.212 187 G CA -0.508 44.641 45.100 0.082 0.000 0.874 187 G HN 0.143 nan 8.290 nan 0.000 0.561 188 E N -1.167 119.080 120.200 0.077 0.000 2.373 188 E HA 0.519 5.090 4.350 0.370 0.000 0.263 188 E C -0.827 175.842 176.600 0.115 0.000 1.073 188 E CA -0.472 55.935 56.400 0.012 0.000 0.894 188 E CB 1.022 30.686 29.700 -0.060 0.000 1.008 188 E HN 0.447 nan 8.360 nan 0.000 0.420 189 F N -0.692 119.207 119.950 -0.085 0.000 2.668 189 F HA 0.490 5.233 4.527 0.361 0.000 0.309 189 F C -1.328 174.357 175.800 -0.191 0.000 1.117 189 F CA -1.678 56.256 58.000 -0.110 0.000 0.951 189 F CB 0.834 39.764 39.000 -0.116 0.000 1.323 189 F HN 0.194 nan 8.300 nan 0.000 0.451 190 I N 2.566 123.093 120.570 -0.072 0.000 2.371 190 I HA 0.237 4.628 4.170 0.370 0.000 0.290 190 I C -0.117 175.909 176.117 -0.153 0.000 1.028 190 I CA -0.682 60.444 61.300 -0.289 0.000 1.345 190 I CB 1.074 38.675 38.000 -0.666 0.000 1.407 190 I HN 0.636 nan 8.210 nan 0.000 0.501 191 K N 5.531 125.719 120.400 -0.352 0.000 2.316 191 K HA 0.317 4.859 4.320 0.370 0.000 0.289 191 K C -0.883 175.664 176.600 -0.088 0.000 1.070 191 K CA -0.178 55.783 56.287 -0.544 0.000 0.928 191 K CB 0.488 32.447 32.500 -0.903 0.000 1.039 191 K HN 0.540 nan 8.250 nan 0.000 0.480 192 C N 4.582 124.031 119.300 0.248 0.000 2.301 192 C HA 0.416 5.098 4.460 0.370 0.000 0.323 192 C C -0.639 174.668 174.990 0.528 0.000 1.265 192 C CA -1.051 58.193 59.018 0.376 0.000 1.503 192 C CB -0.277 27.721 27.740 0.430 0.000 2.195 192 C HN 0.676 nan 8.230 nan 0.000 0.477 193 L N 4.913 126.388 121.223 0.420 0.000 2.333 193 L HA 0.620 5.182 4.340 0.370 0.000 0.280 193 L C -0.484 176.646 176.870 0.434 0.000 1.004 193 L CA 0.242 55.306 54.840 0.374 0.000 0.820 193 L CB 0.617 42.823 42.059 0.244 0.000 1.247 193 L HN 0.818 nan 8.230 nan 0.000 0.416 194 H N 3.363 122.626 119.070 0.320 0.000 2.771 194 H HA 0.639 5.421 4.556 0.376 0.000 0.361 194 H C -1.890 173.600 175.328 0.270 0.000 1.108 194 H CA -0.414 55.820 56.048 0.310 0.000 1.201 194 H CB 2.104 31.984 29.762 0.197 0.000 1.681 194 H HN 0.663 nan 8.280 nan 0.000 0.534 195 S N 3.252 118.640 115.700 -0.521 0.000 2.540 195 S HA 0.201 4.892 4.470 0.370 0.000 0.275 195 S C 0.998 175.039 174.600 -0.931 0.000 1.123 195 S CA -0.228 57.607 58.200 -0.608 0.000 0.907 195 S CB 1.188 64.215 63.200 -0.288 0.000 1.081 195 S HN 0.554 nan 8.310 nan 0.000 0.476 196 V N 2.089 121.590 119.914 -0.689 0.000 2.970 196 V HA 0.321 4.662 4.120 0.370 0.000 0.260 196 V C 1.505 177.188 176.094 -0.685 0.000 1.100 196 V CA 1.145 63.117 62.300 -0.546 0.000 1.122 196 V CB -1.446 30.158 31.823 -0.366 0.000 0.721 196 V HN 1.893 nan 8.190 nan 0.000 0.483 197 G N -0.678 107.593 108.800 -0.881 0.000 2.182 197 G HA2 -0.236 3.945 3.960 0.370 0.000 0.248 197 G HA3 -0.236 3.945 3.960 0.370 0.000 0.248 197 G C -0.020 174.646 174.900 -0.389 0.000 1.042 197 G CA -0.013 44.468 45.100 -1.031 0.000 0.775 197 G HN 0.830 nan 8.290 nan 0.000 0.501 198 C N 1.938 121.073 119.300 -0.275 0.000 3.414 198 C HA 0.424 5.105 4.460 0.370 0.000 0.208 198 C C -1.398 173.528 174.990 -0.107 0.000 1.422 198 C CA -1.475 57.450 59.018 -0.155 0.000 1.437 198 C CB 0.446 28.096 27.740 -0.150 0.000 1.850 198 C HN 0.512 nan 8.230 nan 0.000 0.481 199 P HA 0.168 nan 4.420 nan 0.000 0.269 199 P C -0.679 176.594 177.300 -0.045 0.000 1.209 199 P CA 0.427 63.493 63.100 -0.056 0.000 0.776 199 P CB 0.995 32.673 31.700 -0.037 0.000 0.876 200 L N 4.019 125.218 121.223 -0.040 0.000 2.312 200 L HA 0.393 4.955 4.340 0.370 0.000 0.281 200 L C -1.595 175.258 176.870 -0.029 0.000 1.070 200 L CA -2.170 52.651 54.840 -0.032 0.000 0.805 200 L CB 0.671 42.712 42.059 -0.029 0.000 1.174 200 L HN 0.279 nan 8.230 nan 0.000 0.434 201 P HA 0.125 nan 4.420 nan 0.000 0.271 201 P C -0.675 176.612 177.300 -0.021 0.000 1.218 201 P CA -0.395 62.693 63.100 -0.019 0.000 0.780 201 P CB 0.740 32.431 31.700 -0.015 0.000 0.901 202 L N 3.110 124.322 121.223 -0.020 0.000 2.534 202 L HA 0.039 4.601 4.340 0.370 0.000 0.271 202 L C 1.830 178.690 176.870 -0.016 0.000 1.178 202 L CA 0.205 55.032 54.840 -0.022 0.000 0.907 202 L CB -0.039 42.008 42.059 -0.020 0.000 1.164 202 L HN 0.390 nan 8.230 nan 0.000 0.482 203 K N 2.442 122.832 120.400 -0.017 0.000 2.228 203 K HA 0.056 4.597 4.320 0.370 0.000 0.202 203 K C 0.132 176.728 176.600 -0.008 0.000 1.051 203 K CA 0.915 57.195 56.287 -0.011 0.000 0.960 203 K CB 0.223 32.716 32.500 -0.011 0.000 0.743 203 K HN 0.494 nan 8.250 nan 0.000 0.458 204 K N 1.009 121.404 120.400 -0.009 0.000 2.426 204 K HA 0.290 4.831 4.320 0.370 0.000 0.251 204 K C -2.708 173.890 176.600 -0.002 0.000 0.941 204 K CA -2.106 54.179 56.287 -0.003 0.000 0.808 204 K CB 1.849 34.348 32.500 -0.001 0.000 1.265 204 K HN -0.155 nan 8.250 nan 0.000 0.432 205 P HA -0.022 nan 4.420 nan 0.000 0.265 205 P C -0.758 176.548 177.300 0.011 0.000 1.193 205 P CA -0.442 62.662 63.100 0.006 0.000 0.765 205 P CB 0.442 32.147 31.700 0.009 0.000 0.823 206 L N 4.767 125.998 121.223 0.012 0.000 2.360 206 L HA 0.128 4.689 4.340 0.370 0.000 0.276 206 L C -0.350 176.544 176.870 0.039 0.000 1.121 206 L CA -0.036 54.817 54.840 0.022 0.000 0.845 206 L CB 0.714 42.782 42.059 0.015 0.000 1.143 206 L HN 0.121 nan 8.230 nan 0.000 0.452 207 V N 5.817 125.770 119.914 0.064 0.000 2.370 207 V HA 0.315 4.657 4.120 0.370 0.000 0.283 207 V C 0.503 176.658 176.094 0.102 0.000 1.023 207 V CA -0.662 61.678 62.300 0.065 0.000 0.857 207 V CB 0.934 32.791 31.823 0.056 0.000 0.985 207 V HN 0.949 nan 8.190 nan 0.000 0.443 208 N N 3.989 122.729 118.700 0.068 0.000 2.721 208 N HA -0.251 4.710 4.740 0.370 0.000 0.249 208 N C 0.264 175.859 175.510 0.142 0.000 1.072 208 N CA 0.644 53.740 53.050 0.078 0.000 0.710 208 N CB -1.183 37.328 38.487 0.041 0.000 0.993 208 N HN 0.985 nan 8.380 nan 0.000 0.547 209 N N -2.122 116.650 118.700 0.119 0.000 2.708 209 N HA -0.227 4.735 4.740 0.370 0.000 0.249 209 N C -1.229 174.390 175.510 0.182 0.000 1.097 209 N CA 1.131 54.250 53.050 0.114 0.000 0.710 209 N CB -0.533 38.010 38.487 0.093 0.000 1.032 209 N HN 0.578 nan 8.380 nan 0.000 0.551 210 W N 1.156 122.445 121.300 -0.018 0.000 2.391 210 W HA 0.659 5.536 4.660 0.362 0.000 0.312 210 W C -0.524 175.977 176.519 -0.030 0.000 1.003 210 W CA -0.867 56.461 57.345 -0.029 0.000 1.375 210 W CB 0.615 30.061 29.460 -0.024 0.000 1.253 210 W HN 0.059 nan 8.180 nan 0.000 0.416 211 A N 5.241 127.831 122.820 -0.383 0.000 2.454 211 A HA 0.521 5.063 4.320 0.370 0.000 0.260 211 A C -0.122 177.239 177.584 -0.371 0.000 1.106 211 A CA 0.463 52.316 52.037 -0.307 0.000 0.780 211 A CB -0.307 18.523 19.000 -0.285 0.000 1.044 211 A HN 0.879 nan 8.150 nan 0.000 0.498 212 C N 0.687 119.889 119.300 -0.163 0.000 3.303 212 C HA 0.696 5.378 4.460 0.370 0.000 0.340 212 C C -0.784 174.159 174.990 -0.079 0.000 1.274 212 C CA -1.020 57.941 59.018 -0.097 0.000 1.234 212 C CB 0.633 28.440 27.740 0.111 0.000 1.532 212 C HN 0.899 nan 8.230 nan 0.000 0.483 213 N N 1.578 120.215 118.700 -0.105 0.000 2.804 213 N HA 0.434 5.396 4.740 0.370 0.000 0.251 213 N C -2.071 173.450 175.510 0.018 0.000 1.250 213 N CA -1.485 51.531 53.050 -0.058 0.000 0.820 213 N CB 1.380 39.796 38.487 -0.118 0.000 1.156 213 N HN 0.533 nan 8.380 nan 0.000 0.512 214 P HA -0.150 nan 4.420 nan 0.000 0.215 214 P C 0.563 177.907 177.300 0.073 0.000 1.157 214 P CA 1.293 64.434 63.100 0.067 0.000 0.868 214 P CB 0.342 32.080 31.700 0.063 0.000 0.788 215 E N -0.887 119.352 120.200 0.065 0.000 2.153 215 E HA -0.087 4.485 4.350 0.370 0.000 0.194 215 E C 1.504 178.153 176.600 0.081 0.000 0.988 215 E CA 0.902 57.340 56.400 0.063 0.000 0.811 215 E CB -0.648 29.081 29.700 0.048 0.000 0.746 215 E HN 0.260 nan 8.360 nan 0.000 0.466 216 L N 0.343 121.637 121.223 0.117 0.000 2.728 216 L HA 0.171 4.733 4.340 0.370 0.000 0.238 216 L C 0.106 177.128 176.870 0.253 0.000 1.143 216 L CA -0.254 54.687 54.840 0.168 0.000 0.937 216 L CB 0.310 42.513 42.059 0.239 0.000 1.225 216 L HN -0.097 nan 8.230 nan 0.000 0.507 217 T N 2.307 116.976 114.554 0.190 0.000 2.867 217 T HA 0.253 4.825 4.350 0.370 0.000 0.297 217 T C -0.418 174.411 174.700 0.215 0.000 0.989 217 T CA 0.565 62.785 62.100 0.200 0.000 1.159 217 T CB 0.819 69.774 68.868 0.145 0.000 0.928 217 T HN -0.036 nan 8.240 nan 0.000 0.538 218 L N 5.128 126.513 121.223 0.271 0.000 2.562 218 L HA 0.542 5.104 4.340 0.370 0.000 0.266 218 L C -1.705 175.347 176.870 0.302 0.000 0.949 218 L CA -0.447 54.554 54.840 0.269 0.000 0.879 218 L CB 1.544 43.771 42.059 0.280 0.000 1.278 218 L HN 0.508 nan 8.230 nan 0.000 0.404 219 I N 5.133 125.847 120.570 0.240 0.000 2.371 219 I HA 0.742 5.134 4.170 0.370 0.000 0.282 219 I C 0.220 176.386 176.117 0.082 0.000 1.031 219 I CA -0.077 61.334 61.300 0.185 0.000 1.180 219 I CB 1.516 39.636 38.000 0.199 0.000 1.336 219 I HN 0.671 nan 8.210 nan 0.000 0.467 220 A N 5.124 127.934 122.820 -0.017 0.000 2.325 220 A HA 0.853 5.395 4.320 0.370 0.000 0.333 220 A C -1.009 176.319 177.584 -0.427 0.000 1.155 220 A CA -0.486 51.455 52.037 -0.161 0.000 0.814 220 A CB 0.400 19.235 19.000 -0.275 0.000 1.206 220 A HN 0.693 nan 8.150 nan 0.000 0.482 221 H N 0.584 119.571 119.070 -0.138 0.000 2.609 221 H HA 0.576 5.319 4.556 0.312 0.000 0.344 221 H C -1.347 173.876 175.328 -0.175 0.000 1.040 221 H CA -0.467 55.523 56.048 -0.098 0.000 1.216 221 H CB 1.372 31.133 29.762 -0.003 0.000 1.529 221 H HN 0.393 nan 8.280 nan 0.000 0.519 222 L N 5.218 126.392 121.223 -0.082 0.000 2.457 222 L HA 0.290 4.852 4.340 0.370 0.000 0.252 222 L C -1.759 175.068 176.870 -0.072 0.000 1.132 222 L CA -1.209 53.559 54.840 -0.121 0.000 0.938 222 L CB 1.398 43.334 42.059 -0.205 0.000 1.246 222 L HN 0.523 nan 8.230 nan 0.000 0.476 223 P HA -0.166 nan 4.420 nan 0.000 0.216 223 P C 0.551 177.810 177.300 -0.068 0.000 1.150 223 P CA 1.318 64.395 63.100 -0.037 0.000 0.837 223 P CB 0.482 32.180 31.700 -0.005 0.000 0.786 224 D N -0.367 119.998 120.400 -0.057 0.000 2.224 224 D HA -0.069 4.793 4.640 0.370 0.000 0.205 224 D C 1.921 178.169 176.300 -0.086 0.000 0.965 224 D CA 0.821 54.782 54.000 -0.064 0.000 0.852 224 D CB -0.094 40.682 40.800 -0.040 0.000 0.947 224 D HN 0.270 nan 8.370 nan 0.000 0.494 225 R N 0.084 120.524 120.500 -0.099 0.000 2.334 225 R HA 0.149 4.711 4.340 0.370 0.000 0.216 225 R C 0.044 176.243 176.300 -0.168 0.000 0.905 225 R CA -0.222 55.804 56.100 -0.124 0.000 1.064 225 R CB 0.586 30.816 30.300 -0.117 0.000 1.046 225 R HN -0.100 nan 8.270 nan 0.000 0.508 226 R N 1.204 121.607 120.500 -0.162 0.000 3.336 226 R HA -0.172 4.390 4.340 0.370 0.000 0.260 226 R C -1.157 175.004 176.300 -0.233 0.000 1.032 226 R CA 0.908 56.885 56.100 -0.206 0.000 0.693 226 R CB -2.319 27.831 30.300 -0.251 0.000 1.134 226 R HN 0.462 nan 8.270 nan 0.000 0.433 227 E N 0.084 120.181 120.200 -0.173 0.000 2.266 227 E HA 0.606 5.178 4.350 0.370 0.000 0.268 227 E C -0.159 176.383 176.600 -0.097 0.000 0.879 227 E CA -0.868 55.446 56.400 -0.144 0.000 0.762 227 E CB 1.901 31.526 29.700 -0.124 0.000 1.199 227 E HN 0.106 nan 8.360 nan 0.000 0.422 228 I N 3.426 123.970 120.570 -0.044 0.000 2.436 228 I HA 0.435 4.827 4.170 0.370 0.000 0.289 228 I C -0.691 175.463 176.117 0.060 0.000 1.010 228 I CA -0.578 60.700 61.300 -0.036 0.000 1.098 228 I CB 1.336 39.348 38.000 0.019 0.000 1.266 228 I HN 0.337 nan 8.210 nan 0.000 0.434 229 I N 4.946 125.550 120.570 0.058 0.000 2.468 229 I HA 0.301 4.693 4.170 0.370 0.000 0.284 229 I C -0.444 175.896 176.117 0.372 0.000 1.038 229 I CA -0.195 61.250 61.300 0.242 0.000 1.083 229 I CB 1.914 40.105 38.000 0.318 0.000 1.223 229 I HN 0.454 nan 8.210 nan 0.000 0.443 230 S N 6.638 122.636 115.700 0.497 0.000 2.532 230 S HA 0.710 5.401 4.470 0.370 0.000 0.299 230 S C -1.334 173.627 174.600 0.602 0.000 1.105 230 S CA -0.377 58.127 58.200 0.505 0.000 1.018 230 S CB 1.054 64.500 63.200 0.410 0.000 1.021 230 S HN 0.405 nan 8.310 nan 0.000 0.483 231 F N 3.357 123.464 119.950 0.261 0.000 2.556 231 F HA 0.655 5.401 4.527 0.365 0.000 0.314 231 F C 0.849 176.635 175.800 -0.022 0.000 1.106 231 F CA 0.564 58.537 58.000 -0.044 0.000 0.911 231 F CB 1.752 40.587 39.000 -0.275 0.000 1.190 231 F HN 0.831 nan 8.300 nan 0.000 0.448 232 G N 2.561 110.973 108.800 -0.646 0.000 2.234 232 G HA2 -0.194 3.987 3.960 0.370 0.000 0.235 232 G HA3 -0.194 3.987 3.960 0.370 0.000 0.235 232 G C -0.084 174.750 174.900 -0.111 0.000 0.997 232 G CA 0.152 45.022 45.100 -0.385 0.000 0.623 232 G HN 1.048 nan 8.290 nan 0.000 0.514 233 S N -0.176 115.546 115.700 0.037 0.000 2.500 233 S HA 0.639 5.331 4.470 0.370 0.000 0.301 233 S C 1.026 175.803 174.600 0.294 0.000 1.092 233 S CA 0.746 59.059 58.200 0.188 0.000 1.030 233 S CB 1.567 64.912 63.200 0.242 0.000 1.031 233 S HN 1.359 nan 8.310 nan 0.000 0.483 234 G N 2.438 111.408 108.800 0.282 0.000 3.233 234 G HA2 0.167 4.349 3.960 0.370 0.000 0.234 234 G HA3 0.167 4.349 3.960 0.370 0.000 0.234 234 G C -0.325 174.844 174.900 0.450 0.000 1.137 234 G CA -0.053 45.169 45.100 0.203 0.000 0.763 234 G HN 0.670 nan 8.290 nan 0.000 0.549 235 Y N 1.351 121.889 120.300 0.396 0.000 2.320 235 Y HA 0.444 5.213 4.550 0.365 0.000 0.334 235 Y C 1.396 177.447 175.900 0.251 0.000 1.055 235 Y CA 0.298 58.618 58.100 0.367 0.000 1.143 235 Y CB 1.217 39.826 38.460 0.248 0.000 1.193 235 Y HN 0.341 nan 8.280 nan 0.000 0.477 236 G N 3.879 112.584 108.800 -0.159 0.000 2.700 236 G HA2 -0.452 3.730 3.960 0.370 0.000 0.350 236 G HA3 -0.452 3.730 3.960 0.370 0.000 0.350 236 G C 1.323 176.183 174.900 -0.066 0.000 1.250 236 G CA 0.757 45.758 45.100 -0.166 0.000 0.978 236 G HN 1.372 nan 8.290 nan 0.000 0.551 237 G N 0.056 108.931 108.800 0.125 0.000 2.470 237 G HA2 -0.118 4.064 3.960 0.370 0.000 0.220 237 G HA3 -0.118 4.064 3.960 0.370 0.000 0.220 237 G C 1.474 176.467 174.900 0.154 0.000 1.121 237 G CA 1.509 46.686 45.100 0.128 0.000 0.766 237 G HN 0.610 nan 8.290 nan 0.000 0.553 238 N N 0.463 119.280 118.700 0.195 0.000 2.416 238 N HA -0.041 4.921 4.740 0.370 0.000 0.177 238 N C 2.274 177.845 175.510 0.103 0.000 1.036 238 N CA 1.384 54.552 53.050 0.197 0.000 0.901 238 N CB 0.266 38.906 38.487 0.256 0.000 0.976 238 N HN 0.521 nan 8.380 nan 0.000 0.444 239 S N -0.500 115.176 115.700 -0.041 0.000 2.830 239 S HA 0.206 4.898 4.470 0.370 0.000 0.249 239 S C 0.664 175.041 174.600 -0.372 0.000 1.084 239 S CA -0.406 57.544 58.200 -0.417 0.000 0.852 239 S CB -0.105 62.907 63.200 -0.314 0.000 0.802 239 S HN 0.025 nan 8.310 nan 0.000 0.481 240 L N 3.488 124.563 121.223 -0.246 0.000 2.404 240 L HA 0.352 4.914 4.340 0.370 0.000 0.277 240 L C 0.777 177.538 176.870 -0.183 0.000 1.184 240 L CA -0.237 54.434 54.840 -0.282 0.000 1.013 240 L CB -0.104 41.716 42.059 -0.399 0.000 1.318 240 L HN 0.278 nan 8.230 nan 0.000 0.435 241 L N 1.800 122.952 121.223 -0.118 0.000 2.456 241 L HA -0.064 4.498 4.340 0.370 0.000 0.224 241 L C 2.363 179.342 176.870 0.182 0.000 1.148 241 L CA 0.855 55.734 54.840 0.065 0.000 0.825 241 L CB -0.383 41.769 42.059 0.156 0.000 0.937 241 L HN 0.773 nan 8.230 nan 0.000 0.450 242 G N 0.101 108.896 108.800 -0.007 0.000 2.421 242 G HA2 -0.249 3.932 3.960 0.370 0.000 0.217 242 G HA3 -0.249 3.932 3.960 0.370 0.000 0.217 242 G C 1.634 176.560 174.900 0.043 0.000 1.143 242 G CA 0.422 45.566 45.100 0.074 0.000 0.784 242 G HN 0.178 nan 8.290 nan 0.000 0.541 243 K N 0.418 120.781 120.400 -0.062 0.000 2.001 243 K HA -0.090 4.452 4.320 0.370 0.000 0.214 243 K C 2.060 178.653 176.600 -0.011 0.000 1.050 243 K CA 1.523 57.756 56.287 -0.089 0.000 0.934 243 K CB 0.059 32.442 32.500 -0.195 0.000 0.718 243 K HN 0.147 nan 8.250 nan 0.000 0.443 244 K N -1.961 118.479 120.400 0.066 0.000 2.504 244 K HA 0.169 4.711 4.320 0.370 0.000 0.203 244 K C 2.221 178.960 176.600 0.232 0.000 1.350 244 K CA 0.569 56.896 56.287 0.066 0.000 0.953 244 K CB -0.328 32.231 32.500 0.098 0.000 1.243 244 K HN 0.124 nan 8.250 nan 0.000 0.534 245 C N 1.366 120.865 119.300 0.332 0.000 2.432 245 C HA -0.028 4.654 4.460 0.370 0.000 0.277 245 C C 2.461 177.740 174.990 0.481 0.000 1.249 245 C CA 0.531 59.843 59.018 0.491 0.000 1.725 245 C CB -0.792 27.189 27.740 0.402 0.000 2.028 245 C HN 0.329 nan 8.230 nan 0.000 0.477 246 F N 1.965 122.093 119.950 0.296 0.000 2.123 246 F HA 0.210 4.869 4.527 0.221 0.000 0.289 246 F C 2.428 178.474 175.800 0.410 0.000 1.099 246 F CA 1.122 59.330 58.000 0.347 0.000 1.234 246 F CB -1.257 37.984 39.000 0.402 0.000 1.034 246 F HN 0.125 nan 8.300 nan 0.000 0.479 247 A N 0.295 123.481 122.820 0.611 0.000 1.948 247 A HA -0.152 4.390 4.320 0.370 0.000 0.220 247 A C 2.238 180.174 177.584 0.585 0.000 1.177 247 A CA 2.304 54.673 52.037 0.554 0.000 0.636 247 A CB -0.824 18.286 19.000 0.184 0.000 0.815 247 A HN 0.502 nan 8.150 nan 0.000 0.449 248 L N -3.200 118.224 121.223 0.335 0.000 2.588 248 L HA 0.130 4.692 4.340 0.370 0.000 0.194 248 L C 2.718 179.706 176.870 0.196 0.000 1.070 248 L CA 0.149 55.117 54.840 0.213 0.000 0.852 248 L CB -0.358 41.679 42.059 -0.036 0.000 1.199 248 L HN 0.188 nan 8.230 nan 0.000 0.486 249 R N 0.404 121.008 120.500 0.174 0.000 2.056 249 R HA -0.030 4.531 4.340 0.370 0.000 0.227 249 R C 2.179 178.551 176.300 0.120 0.000 1.149 249 R CA 1.098 57.245 56.100 0.078 0.000 0.937 249 R CB -0.243 29.942 30.300 -0.192 0.000 0.835 249 R HN 0.144 nan 8.270 nan 0.000 0.430 250 I N 1.297 121.972 120.570 0.174 0.000 2.179 250 I HA -0.219 4.173 4.170 0.370 0.000 0.242 250 I C 2.607 178.778 176.117 0.089 0.000 1.088 250 I CA 1.463 62.830 61.300 0.113 0.000 1.357 250 I CB -1.424 36.600 38.000 0.039 0.000 1.051 250 I HN 0.191 nan 8.210 nan 0.000 0.409 251 A N 1.009 123.948 122.820 0.199 0.000 1.940 251 A HA -0.218 4.324 4.320 0.370 0.000 0.219 251 A C 2.530 179.953 177.584 -0.269 0.000 1.176 251 A CA 2.384 54.436 52.037 0.025 0.000 0.631 251 A CB -0.823 18.264 19.000 0.145 0.000 0.814 251 A HN 0.587 nan 8.150 nan 0.000 0.446 252 S N -0.814 114.860 115.700 -0.043 0.000 2.383 252 S HA -0.149 4.543 4.470 0.370 0.000 0.227 252 S C 2.087 176.693 174.600 0.011 0.000 1.026 252 S CA 1.005 59.225 58.200 0.033 0.000 0.981 252 S CB -0.400 62.976 63.200 0.294 0.000 0.818 252 S HN 0.467 nan 8.310 nan 0.000 0.472 253 R N 1.334 121.838 120.500 0.007 0.000 2.073 253 R HA 0.134 4.696 4.340 0.370 0.000 0.234 253 R C 2.374 178.464 176.300 -0.350 0.000 1.134 253 R CA 1.432 57.413 56.100 -0.199 0.000 0.952 253 R CB -1.231 29.027 30.300 -0.069 0.000 0.850 253 R HN 0.515 nan 8.270 nan 0.000 0.433 254 L N 0.034 121.082 121.223 -0.292 0.000 2.042 254 L HA -0.182 4.379 4.340 0.370 0.000 0.210 254 L C 2.676 179.195 176.870 -0.585 0.000 1.076 254 L CA 1.485 56.158 54.840 -0.277 0.000 0.749 254 L CB -0.721 41.302 42.059 -0.061 0.000 0.893 254 L HN 0.168 nan 8.230 nan 0.000 0.432 255 A N 0.111 122.214 122.820 -1.194 0.000 1.883 255 A HA -0.284 4.257 4.320 0.370 0.000 0.217 255 A C 2.437 179.490 177.584 -0.885 0.000 1.186 255 A CA 2.159 53.132 52.037 -1.773 0.000 0.624 255 A CB -0.565 17.520 19.000 -1.525 0.000 0.822 255 A HN 0.332 nan 8.150 nan 0.000 0.444 256 K N -0.248 119.661 120.400 -0.818 0.000 2.032 256 K HA -0.226 4.315 4.320 0.370 0.000 0.209 256 K C 1.938 178.185 176.600 -0.588 0.000 1.048 256 K CA 1.940 57.615 56.287 -1.020 0.000 0.927 256 K CB -0.228 31.587 32.500 -1.142 0.000 0.712 256 K HN 0.667 nan 8.250 nan 0.000 0.441 257 E N 0.004 119.945 120.200 -0.431 0.000 2.110 257 E HA -0.173 4.399 4.350 0.370 0.000 0.193 257 E C 1.519 178.051 176.600 -0.112 0.000 0.988 257 E CA 1.343 57.603 56.400 -0.234 0.000 0.804 257 E CB 0.115 29.705 29.700 -0.184 0.000 0.745 257 E HN 0.424 nan 8.360 nan 0.000 0.458 258 E N -1.205 118.946 120.200 -0.082 0.000 2.476 258 E HA 0.129 4.701 4.350 0.370 0.000 0.199 258 E C 0.605 177.337 176.600 0.221 0.000 1.021 258 E CA 0.284 56.758 56.400 0.124 0.000 0.907 258 E CB 1.209 31.114 29.700 0.342 0.000 0.974 258 E HN 0.302 nan 8.360 nan 0.000 0.489 259 G N 1.466 110.358 108.800 0.154 0.000 2.130 259 G HA2 -0.173 4.008 3.960 0.370 0.000 0.216 259 G HA3 -0.173 4.008 3.960 0.370 0.000 0.216 259 G C -0.180 174.908 174.900 0.313 0.000 0.999 259 G CA 0.198 45.445 45.100 0.245 0.000 0.686 259 G HN 0.236 nan 8.290 nan 0.000 0.515 260 W N -1.016 120.357 121.300 0.122 0.000 3.518 260 W HA 0.854 5.722 4.660 0.346 0.000 0.331 260 W C -0.824 175.756 176.519 0.102 0.000 1.205 260 W CA -1.647 55.731 57.345 0.056 0.000 0.956 260 W CB 0.708 30.159 29.460 -0.014 0.000 1.645 260 W HN 0.118 nan 8.180 nan 0.000 0.615 261 L N 1.411 122.791 121.223 0.262 0.000 2.410 261 L HA 0.682 5.244 4.340 0.370 0.000 0.270 261 L C -0.474 176.545 176.870 0.248 0.000 0.983 261 L CA -0.983 53.913 54.840 0.092 0.000 0.822 261 L CB 1.833 43.870 42.059 -0.037 0.000 1.285 261 L HN 0.572 nan 8.230 nan 0.000 0.409 262 A N 2.767 125.666 122.820 0.133 0.000 2.310 262 A HA 0.809 5.351 4.320 0.370 0.000 0.304 262 A C -0.810 177.028 177.584 0.423 0.000 1.231 262 A CA -0.496 51.713 52.037 0.285 0.000 0.799 262 A CB 0.839 19.829 19.000 -0.017 0.000 1.162 262 A HN 0.599 nan 8.150 nan 0.000 0.486 263 E N 0.690 121.188 120.200 0.496 0.000 2.343 263 E HA 0.188 4.759 4.350 0.370 0.000 0.270 263 E C -1.017 175.822 176.600 0.397 0.000 0.895 263 E CA -0.602 56.090 56.400 0.486 0.000 0.767 263 E CB 1.496 31.542 29.700 0.577 0.000 1.248 263 E HN 0.789 nan 8.360 nan 0.000 0.440 264 H N 2.420 121.619 119.070 0.214 0.000 2.970 264 H HA 0.267 5.059 4.556 0.393 0.000 0.226 264 H C -0.654 174.738 175.328 0.106 0.000 1.909 264 H CA 0.057 56.158 56.048 0.090 0.000 1.388 264 H CB -0.144 29.651 29.762 0.055 0.000 1.773 264 H HN 0.180 nan 8.280 nan 0.000 0.559 265 M N 3.932 123.619 119.600 0.144 0.000 2.393 265 M HA 0.166 4.867 4.480 0.370 0.000 0.299 265 M C -0.763 175.550 176.300 0.021 0.000 1.103 265 M CA -1.304 54.014 55.300 0.031 0.000 0.910 265 M CB 2.608 35.278 32.600 0.118 0.000 1.659 265 M HN 0.281 nan 8.290 nan 0.000 0.445 266 L N 1.574 122.763 121.223 -0.057 0.000 2.464 266 L HA 0.640 5.201 4.340 0.370 0.000 0.264 266 L C -0.969 175.929 176.870 0.047 0.000 1.199 266 L CA 0.253 55.096 54.840 0.004 0.000 0.818 266 L CB 0.170 42.215 42.059 -0.024 0.000 1.102 266 L HN 0.576 nan 8.230 nan 0.000 0.473 267 I N 2.966 123.596 120.570 0.100 0.000 2.466 267 I HA 0.482 4.874 4.170 0.370 0.000 0.289 267 I C -0.905 175.321 176.117 0.182 0.000 1.026 267 I CA -0.696 60.690 61.300 0.143 0.000 1.078 267 I CB 1.813 39.903 38.000 0.151 0.000 1.249 267 I HN 0.689 nan 8.210 nan 0.000 0.429 268 L N 3.732 125.074 121.223 0.199 0.000 2.371 268 L HA 1.037 5.599 4.340 0.370 0.000 0.262 268 L C -0.282 176.701 176.870 0.188 0.000 1.006 268 L CA -0.448 54.503 54.840 0.185 0.000 0.818 268 L CB 1.777 43.906 42.059 0.116 0.000 1.354 268 L HN 0.501 nan 8.230 nan 0.000 0.415 269 G N 1.935 110.771 108.800 0.058 0.000 2.368 269 G HA2 0.661 4.842 3.960 0.370 0.000 0.320 269 G HA3 0.661 4.842 3.960 0.370 0.000 0.320 269 G C -1.316 173.516 174.900 -0.114 0.000 1.158 269 G CA -0.480 44.427 45.100 -0.322 0.000 0.912 269 G HN 0.894 nan 8.290 nan 0.000 0.456 270 I N 1.958 122.498 120.570 -0.049 0.000 2.436 270 I HA 0.549 4.941 4.170 0.370 0.000 0.289 270 I C -0.495 175.728 176.117 0.176 0.000 1.010 270 I CA -0.439 60.947 61.300 0.144 0.000 1.098 270 I CB 1.978 40.155 38.000 0.296 0.000 1.266 270 I HN 0.379 nan 8.210 nan 0.000 0.434 271 T N 6.157 120.757 114.554 0.077 0.000 2.807 271 T HA 0.377 4.949 4.350 0.370 0.000 0.279 271 T C -0.313 174.129 174.700 -0.430 0.000 0.993 271 T CA -0.735 61.312 62.100 -0.088 0.000 0.970 271 T CB 1.079 69.895 68.868 -0.087 0.000 0.950 271 T HN 0.715 nan 8.240 nan 0.000 0.441 272 N N 2.718 120.896 118.700 -0.869 0.000 2.447 272 N HA 0.356 5.317 4.740 0.370 0.000 0.271 272 N C -2.370 172.548 175.510 -0.986 0.000 1.226 272 N CA -2.366 49.674 53.050 -1.684 0.000 0.980 272 N CB 0.035 37.340 38.487 -1.969 0.000 1.206 272 N HN 0.087 nan 8.380 nan 0.000 0.558 273 P HA -0.041 nan 4.420 nan 0.000 0.225 273 P C 0.200 177.309 177.300 -0.318 0.000 1.148 273 P CA 1.113 63.917 63.100 -0.493 0.000 0.779 273 P CB 0.182 31.655 31.700 -0.378 0.000 0.780 274 E N -1.153 118.848 120.200 -0.332 0.000 2.476 274 E HA 0.150 4.722 4.350 0.370 0.000 0.191 274 E C 1.333 177.844 176.600 -0.148 0.000 1.064 274 E CA 0.437 56.724 56.400 -0.188 0.000 0.866 274 E CB -0.603 29.015 29.700 -0.137 0.000 0.952 274 E HN 0.184 nan 8.360 nan 0.000 0.492 275 G N 1.996 110.681 108.800 -0.192 0.000 2.160 275 G HA2 -0.314 3.868 3.960 0.370 0.000 0.251 275 G HA3 -0.314 3.868 3.960 0.370 0.000 0.251 275 G C 0.075 174.934 174.900 -0.069 0.000 1.008 275 G CA 0.470 45.496 45.100 -0.124 0.000 0.724 275 G HN 0.140 nan 8.290 nan 0.000 0.514 276 K N 0.136 120.497 120.400 -0.065 0.000 2.183 276 K HA 0.622 5.163 4.320 0.370 0.000 0.274 276 K C 0.224 176.937 176.600 0.188 0.000 1.009 276 K CA -0.455 55.888 56.287 0.093 0.000 0.888 276 K CB 1.407 34.040 32.500 0.223 0.000 1.078 276 K HN 0.215 nan 8.250 nan 0.000 0.459 277 K N 2.654 123.146 120.400 0.152 0.000 2.292 277 K HA 0.371 4.913 4.320 0.370 0.000 0.257 277 K C -1.076 175.558 176.600 0.057 0.000 0.940 277 K CA -0.667 55.684 56.287 0.107 0.000 0.811 277 K CB 0.863 33.351 32.500 -0.020 0.000 1.120 277 K HN 0.395 nan 8.250 nan 0.000 0.428 278 K N 2.790 123.213 120.400 0.037 0.000 2.375 278 K HA 0.301 4.843 4.320 0.370 0.000 0.249 278 K C -1.431 175.101 176.600 -0.115 0.000 0.942 278 K CA -0.843 55.406 56.287 -0.062 0.000 0.806 278 K CB 1.652 34.006 32.500 -0.243 0.000 1.227 278 K HN 0.383 nan 8.250 nan 0.000 0.430 279 Y N 1.778 122.113 120.300 0.059 0.000 2.342 279 Y HA 0.419 5.191 4.550 0.370 0.000 0.334 279 Y C 0.005 175.946 175.900 0.068 0.000 1.067 279 Y CA -0.667 57.478 58.100 0.074 0.000 1.128 279 Y CB 1.035 39.532 38.460 0.062 0.000 1.200 279 Y HN 0.178 nan 8.280 nan 0.000 0.464 280 L N 2.849 124.203 121.223 0.219 0.000 2.354 280 L HA 0.906 5.468 4.340 0.370 0.000 0.269 280 L C -0.507 176.442 176.870 0.132 0.000 1.005 280 L CA -1.192 53.740 54.840 0.154 0.000 0.819 280 L CB 2.026 44.157 42.059 0.120 0.000 1.311 280 L HN 0.676 nan 8.230 nan 0.000 0.423 281 A N 1.704 124.576 122.820 0.088 0.000 2.355 281 A HA 0.962 5.504 4.320 0.370 0.000 0.324 281 A C -0.933 176.605 177.584 -0.076 0.000 1.117 281 A CA -0.471 51.588 52.037 0.038 0.000 0.785 281 A CB 1.822 20.870 19.000 0.080 0.000 1.254 281 A HN 0.785 nan 8.150 nan 0.000 0.453 282 A N 0.477 123.184 122.820 -0.190 0.000 2.408 282 A HA 0.751 5.293 4.320 0.370 0.000 0.295 282 A C -0.390 176.834 177.584 -0.600 0.000 1.040 282 A CA 0.175 51.927 52.037 -0.475 0.000 0.707 282 A CB 1.161 19.776 19.000 -0.640 0.000 1.235 282 A HN 2.280 nan 8.150 nan 0.000 0.418 283 A N 2.392 124.908 122.820 -0.507 0.000 2.273 283 A HA 0.770 5.312 4.320 0.370 0.000 0.320 283 A C -1.088 176.372 177.584 -0.207 0.000 1.358 283 A CA -0.209 51.686 52.037 -0.237 0.000 0.910 283 A CB -0.337 18.791 19.000 0.213 0.000 1.159 283 A HN 0.683 nan 8.150 nan 0.000 0.526 284 F N 2.199 122.114 119.950 -0.058 0.000 2.546 284 F HA 0.640 5.391 4.527 0.373 0.000 0.320 284 F C -2.342 173.414 175.800 -0.073 0.000 1.076 284 F CA -2.898 55.065 58.000 -0.062 0.000 0.928 284 F CB 1.256 40.223 39.000 -0.055 0.000 1.189 284 F HN 0.272 nan 8.300 nan 0.000 0.465 285 P HA 0.087 nan 4.420 nan 0.000 0.275 285 P C -0.267 177.135 177.300 0.169 0.000 1.266 285 P CA -0.509 62.700 63.100 0.182 0.000 0.793 285 P CB 0.537 32.297 31.700 0.098 0.000 1.074 286 S N 0.215 116.048 115.700 0.221 0.000 2.558 286 S HA 0.242 4.934 4.470 0.370 0.000 0.291 286 S C 0.939 175.574 174.600 0.058 0.000 1.306 286 S CA 0.692 58.986 58.200 0.158 0.000 1.056 286 S CB -1.324 61.973 63.200 0.162 0.000 0.836 286 S HN 0.682 nan 8.310 nan 0.000 0.504 287 A N 2.464 125.310 122.820 0.042 0.000 3.172 287 A HA -0.177 4.365 4.320 0.370 0.000 0.263 287 A C 1.157 178.725 177.584 -0.027 0.000 1.215 287 A CA 0.966 53.002 52.037 -0.000 0.000 1.065 287 A CB -2.571 16.403 19.000 -0.043 0.000 1.148 287 A HN 1.007 nan 8.150 nan 0.000 0.904 288 C N -0.941 118.375 119.300 0.027 0.000 3.243 288 C HA 0.576 5.258 4.460 0.370 0.000 0.286 288 C C 1.906 177.027 174.990 0.218 0.000 1.373 288 C CA 0.319 59.351 59.018 0.023 0.000 1.749 288 C CB -0.526 27.161 27.740 -0.088 0.000 2.313 288 C HN 2.423 nan 8.230 nan 0.000 0.644 289 G N 1.831 110.784 108.800 0.255 0.000 2.165 289 G HA2 -0.222 3.959 3.960 0.370 0.000 0.226 289 G HA3 -0.222 3.959 3.960 0.370 0.000 0.226 289 G C 0.790 175.925 174.900 0.391 0.000 1.035 289 G CA 0.358 45.627 45.100 0.282 0.000 0.744 289 G HN 0.526 nan 8.290 nan 0.000 0.501 290 K N -0.636 120.009 120.400 0.407 0.000 2.032 290 K HA -0.112 4.429 4.320 0.370 0.000 0.209 290 K C 2.617 179.306 176.600 0.149 0.000 1.048 290 K CA 1.998 58.451 56.287 0.277 0.000 0.927 290 K CB -0.282 32.247 32.500 0.049 0.000 0.712 290 K HN 0.375 nan 8.250 nan 0.000 0.441 291 T N 1.534 116.142 114.554 0.089 0.000 2.788 291 T HA -0.092 4.480 4.350 0.370 0.000 0.268 291 T C 1.531 176.244 174.700 0.021 0.000 1.044 291 T CA 1.128 63.234 62.100 0.011 0.000 1.139 291 T CB -0.240 68.618 68.868 -0.016 0.000 0.867 291 T HN 0.261 nan 8.240 nan 0.000 0.454 292 N N 1.096 119.850 118.700 0.090 0.000 2.120 292 N HA -0.065 4.897 4.740 0.370 0.000 0.188 292 N C 1.820 177.374 175.510 0.074 0.000 1.024 292 N CA 0.935 54.044 53.050 0.097 0.000 0.852 292 N CB -0.331 38.252 38.487 0.160 0.000 1.003 292 N HN 0.230 nan 8.380 nan 0.000 0.424 293 L N 1.446 122.748 121.223 0.131 0.000 2.072 293 L HA 0.069 4.631 4.340 0.370 0.000 0.205 293 L C 2.276 179.198 176.870 0.086 0.000 1.079 293 L CA 1.212 56.138 54.840 0.143 0.000 0.752 293 L CB -0.783 41.481 42.059 0.342 0.000 0.906 293 L HN 0.057 nan 8.230 nan 0.000 0.436 294 A N -0.719 122.136 122.820 0.059 0.000 1.972 294 A HA -0.173 4.369 4.320 0.370 0.000 0.219 294 A C 2.005 179.572 177.584 -0.028 0.000 1.169 294 A CA 2.095 54.141 52.037 0.016 0.000 0.635 294 A CB -0.507 18.483 19.000 -0.017 0.000 0.810 294 A HN 0.536 nan 8.150 nan 0.000 0.446 295 M N -0.947 118.616 119.600 -0.062 0.000 2.484 295 M HA 0.288 4.989 4.480 0.370 0.000 0.307 295 M C 0.485 176.760 176.300 -0.041 0.000 1.149 295 M CA -0.190 55.057 55.300 -0.087 0.000 0.972 295 M CB 0.125 32.625 32.600 -0.167 0.000 1.400 295 M HN 0.492 nan 8.290 nan 0.000 0.508 296 M N 2.258 121.851 119.600 -0.012 0.000 2.240 296 M HA -0.077 4.625 4.480 0.370 0.000 0.346 296 M C -0.199 176.094 176.300 -0.013 0.000 1.236 296 M CA 1.102 56.396 55.300 -0.010 0.000 0.986 296 M CB 0.297 32.891 32.600 -0.009 0.000 1.786 296 M HN 0.136 nan 8.290 nan 0.000 0.457 297 N N 7.478 126.165 118.700 -0.022 0.000 2.500 297 N HA 0.452 5.414 4.740 0.370 0.000 0.236 297 N C -2.581 172.914 175.510 -0.025 0.000 1.022 297 N CA -1.673 51.365 53.050 -0.020 0.000 0.935 297 N CB 0.827 39.296 38.487 -0.030 0.000 1.147 297 N HN 0.346 nan 8.380 nan 0.000 0.512 298 P HA 0.085 nan 4.420 nan 0.000 0.271 298 P C 0.512 177.798 177.300 -0.023 0.000 1.216 298 P CA -0.158 62.929 63.100 -0.021 0.000 0.771 298 P CB 1.010 32.728 31.700 0.029 0.000 0.864 299 T N 0.202 114.722 114.554 -0.057 0.000 3.014 299 T HA 0.058 4.630 4.350 0.370 0.000 0.263 299 T C 1.054 175.739 174.700 -0.026 0.000 1.078 299 T CA 0.193 62.261 62.100 -0.052 0.000 1.135 299 T CB -0.435 68.382 68.868 -0.086 0.000 0.895 299 T HN 0.202 nan 8.240 nan 0.000 0.480 300 L N 3.067 124.268 121.223 -0.036 0.000 2.462 300 L HA 0.290 4.851 4.340 0.370 0.000 0.272 300 L C -2.254 174.711 176.870 0.157 0.000 1.166 300 L CA -2.054 52.796 54.840 0.017 0.000 0.880 300 L CB 0.126 42.102 42.059 -0.138 0.000 1.142 300 L HN 0.062 nan 8.230 nan 0.000 0.473 301 P HA 0.074 nan 4.420 nan 0.000 0.268 301 P C 0.784 178.186 177.300 0.171 0.000 1.205 301 P CA 0.445 63.619 63.100 0.123 0.000 0.771 301 P CB 0.886 32.630 31.700 0.072 0.000 0.858 302 G N 0.178 109.021 108.800 0.072 0.000 2.199 302 G HA2 -0.222 3.960 3.960 0.370 0.000 0.254 302 G HA3 -0.222 3.960 3.960 0.370 0.000 0.254 302 G C -0.447 174.358 174.900 -0.159 0.000 0.982 302 G CA -0.532 44.533 45.100 -0.058 0.000 0.632 302 G HN 0.394 nan 8.290 nan 0.000 0.529 303 W N 0.722 121.980 121.300 -0.070 0.000 2.449 303 W HA 0.743 5.624 4.660 0.369 0.000 0.331 303 W C 0.523 177.006 176.519 -0.059 0.000 1.119 303 W CA -0.613 56.682 57.345 -0.083 0.000 1.240 303 W CB 1.198 30.608 29.460 -0.083 0.000 1.251 303 W HN 0.096 nan 8.180 nan 0.000 0.576 304 K N 1.739 122.241 120.400 0.170 0.000 2.482 304 K HA 0.641 5.182 4.320 0.370 0.000 0.251 304 K C -1.858 174.807 176.600 0.108 0.000 0.936 304 K CA -0.618 55.726 56.287 0.095 0.000 0.791 304 K CB 1.813 34.327 32.500 0.024 0.000 1.213 304 K HN 0.327 nan 8.250 nan 0.000 0.428 305 V N 3.392 123.356 119.914 0.082 0.000 2.495 305 V HA 0.425 4.767 4.120 0.370 0.000 0.298 305 V C -0.786 175.336 176.094 0.047 0.000 1.031 305 V CA -0.681 61.660 62.300 0.069 0.000 0.871 305 V CB 1.751 33.612 31.823 0.063 0.000 0.988 305 V HN 0.835 nan 8.190 nan 0.000 0.432 306 E N 1.874 122.104 120.200 0.049 0.000 2.288 306 E HA 0.464 5.036 4.350 0.370 0.000 0.268 306 E C -1.441 175.216 176.600 0.096 0.000 0.885 306 E CA -0.553 55.885 56.400 0.064 0.000 0.767 306 E CB 2.437 32.182 29.700 0.075 0.000 1.220 306 E HN 0.700 nan 8.360 nan 0.000 0.427 307 C N 3.101 122.458 119.300 0.094 0.000 2.295 307 C HA 0.367 5.049 4.460 0.370 0.000 0.331 307 C C 1.278 176.386 174.990 0.197 0.000 1.280 307 C CA -0.296 58.792 59.018 0.116 0.000 1.746 307 C CB -0.298 27.468 27.740 0.044 0.000 2.328 307 C HN 0.696 nan 8.230 nan 0.000 0.521 308 V N 5.152 125.218 119.914 0.253 0.000 2.581 308 V HA 0.402 4.744 4.120 0.370 0.000 0.240 308 V C 1.375 177.651 176.094 0.303 0.000 1.054 308 V CA 1.346 63.836 62.300 0.316 0.000 1.076 308 V CB -0.274 31.719 31.823 0.283 0.000 0.748 308 V HN 1.044 nan 8.190 nan 0.000 0.474 309 G N -0.126 108.828 108.800 0.255 0.000 2.677 309 G HA2 0.474 4.655 3.960 0.370 0.000 0.291 309 G HA3 0.474 4.655 3.960 0.370 0.000 0.291 309 G C -0.892 174.137 174.900 0.215 0.000 1.435 309 G CA 0.451 45.715 45.100 0.273 0.000 0.826 309 G HN 0.134 nan 8.290 nan 0.000 0.491 310 D N -1.422 119.122 120.400 0.240 0.000 2.469 310 D HA 0.172 5.033 4.640 0.370 0.000 0.213 310 D C 0.385 176.739 176.300 0.090 0.000 1.135 310 D CA 0.242 54.309 54.000 0.111 0.000 0.834 310 D CB 1.345 42.150 40.800 0.009 0.000 1.009 310 D HN 0.344 nan 8.370 nan 0.000 0.507 311 D N -0.824 119.646 120.400 0.116 0.000 2.135 311 D HA 0.189 5.050 4.640 0.370 0.000 0.318 311 D C -0.309 176.081 176.300 0.149 0.000 1.109 311 D CA 0.132 54.204 54.000 0.119 0.000 0.952 311 D CB 1.099 41.988 40.800 0.150 0.000 1.816 311 D HN -0.046 nan 8.370 nan 0.000 0.528 312 I N 1.737 122.373 120.570 0.110 0.000 2.498 312 I HA 0.682 5.074 4.170 0.370 0.000 0.290 312 I C -0.737 175.449 176.117 0.114 0.000 1.032 312 I CA -1.069 60.302 61.300 0.119 0.000 1.073 312 I CB 1.307 39.322 38.000 0.024 0.000 1.251 312 I HN 0.033 nan 8.210 nan 0.000 0.426 313 A N 6.125 129.088 122.820 0.238 0.000 2.330 313 A HA 0.722 5.263 4.320 0.370 0.000 0.313 313 A C -1.866 176.040 177.584 0.535 0.000 1.124 313 A CA -0.417 51.783 52.037 0.271 0.000 0.774 313 A CB 0.851 19.992 19.000 0.235 0.000 1.198 313 A HN 0.587 nan 8.150 nan 0.000 0.465 314 W N 2.640 124.040 121.300 0.167 0.000 2.329 314 W HA 0.667 5.486 4.660 0.264 0.000 0.312 314 W C -0.330 176.266 176.519 0.129 0.000 1.054 314 W CA -1.014 56.475 57.345 0.241 0.000 1.245 314 W CB 1.000 30.539 29.460 0.132 0.000 1.255 314 W HN 0.508 nan 8.180 nan 0.000 0.436 315 M N 3.613 123.442 119.600 0.381 0.000 2.395 315 M HA 0.460 5.161 4.480 0.370 0.000 0.307 315 M C -0.454 175.913 176.300 0.112 0.000 1.091 315 M CA -0.864 54.520 55.300 0.140 0.000 0.919 315 M CB 3.045 35.675 32.600 0.049 0.000 1.662 315 M HN 0.232 nan 8.290 nan 0.000 0.440 316 K N 2.574 122.956 120.400 -0.030 0.000 2.535 316 K HA 0.496 5.037 4.320 0.370 0.000 0.250 316 K C -1.778 174.768 176.600 -0.091 0.000 0.948 316 K CA -0.509 55.781 56.287 0.004 0.000 0.796 316 K CB 1.753 34.263 32.500 0.016 0.000 1.216 316 K HN 0.513 nan 8.250 nan 0.000 0.432 317 F N 3.909 123.855 119.950 -0.007 0.000 2.543 317 F HA 0.010 4.760 4.527 0.371 0.000 0.375 317 F C 1.155 176.937 175.800 -0.031 0.000 1.075 317 F CA 0.406 58.383 58.000 -0.038 0.000 1.225 317 F CB 0.390 39.345 39.000 -0.075 0.000 1.099 317 F HN 0.609 nan 8.300 nan 0.000 0.561 318 D N 2.262 122.741 120.400 0.131 0.000 2.478 318 D HA 0.312 5.173 4.640 0.370 0.000 0.269 318 D C 1.064 177.402 176.300 0.063 0.000 1.232 318 D CA -0.274 53.764 54.000 0.064 0.000 1.059 318 D CB 0.227 41.038 40.800 0.018 0.000 1.104 318 D HN 0.431 nan 8.370 nan 0.000 0.566 319 A N -0.917 121.920 122.820 0.029 0.000 2.070 319 A HA -0.176 4.365 4.320 0.370 0.000 0.220 319 A C 1.790 179.381 177.584 0.012 0.000 1.159 319 A CA 1.161 53.207 52.037 0.015 0.000 0.656 319 A CB -0.573 18.430 19.000 0.004 0.000 0.800 319 A HN 0.458 nan 8.150 nan 0.000 0.453 320 Q N -1.581 118.231 119.800 0.020 0.000 2.425 320 Q HA 0.187 4.749 4.340 0.370 0.000 0.204 320 Q C 1.245 177.263 176.000 0.030 0.000 0.933 320 Q CA 0.781 56.595 55.803 0.017 0.000 0.939 320 Q CB 0.051 28.798 28.738 0.015 0.000 1.044 320 Q HN 0.998 nan 8.270 nan 0.000 0.513 321 G N 1.543 110.381 108.800 0.063 0.000 2.157 321 G HA2 -0.208 3.974 3.960 0.370 0.000 0.248 321 G HA3 -0.208 3.974 3.960 0.370 0.000 0.248 321 G C -0.010 175.039 174.900 0.250 0.000 0.979 321 G CA -0.149 45.012 45.100 0.101 0.000 0.650 321 G HN 0.281 nan 8.290 nan 0.000 0.529 322 N N 0.221 119.021 118.700 0.166 0.000 2.514 322 N HA 0.347 5.309 4.740 0.370 0.000 0.277 322 N C -0.014 175.507 175.510 0.019 0.000 1.126 322 N CA -0.335 52.781 53.050 0.110 0.000 0.978 322 N CB 1.717 40.225 38.487 0.035 0.000 1.106 322 N HN 0.234 nan 8.380 nan 0.000 0.461 323 L N 3.923 125.025 121.223 -0.201 0.000 2.385 323 L HA 0.133 4.695 4.340 0.370 0.000 0.285 323 L C 0.164 176.865 176.870 -0.281 0.000 1.125 323 L CA -0.004 54.465 54.840 -0.618 0.000 0.890 323 L CB -0.270 41.260 42.059 -0.883 0.000 1.251 323 L HN 0.214 nan 8.230 nan 0.000 0.445 324 R N 4.456 124.829 120.500 -0.212 0.000 2.308 324 R HA 0.674 5.236 4.340 0.370 0.000 0.305 324 R C -0.538 175.697 176.300 -0.109 0.000 1.053 324 R CA -0.242 55.776 56.100 -0.136 0.000 0.957 324 R CB 1.270 31.508 30.300 -0.103 0.000 1.022 324 R HN 0.693 nan 8.270 nan 0.000 0.461 325 A N 4.355 127.119 122.820 -0.094 0.000 2.355 325 A HA 0.667 5.208 4.320 0.370 0.000 0.317 325 A C -0.141 177.418 177.584 -0.043 0.000 1.094 325 A CA -0.873 51.147 52.037 -0.029 0.000 0.764 325 A CB 0.937 19.940 19.000 0.006 0.000 1.230 325 A HN 0.769 nan 8.150 nan 0.000 0.448 326 I N -0.494 120.078 120.570 0.003 0.000 2.693 326 I HA 0.594 4.986 4.170 0.370 0.000 0.303 326 I C -0.252 175.849 176.117 -0.027 0.000 1.025 326 I CA -0.989 60.289 61.300 -0.037 0.000 1.086 326 I CB 1.956 39.909 38.000 -0.079 0.000 1.268 326 I HN 0.484 nan 8.210 nan 0.000 0.440 327 N N 5.848 124.530 118.700 -0.030 0.000 2.401 327 N HA 0.327 5.289 4.740 0.370 0.000 0.255 327 N C -1.735 173.654 175.510 -0.202 0.000 1.110 327 N CA -2.482 50.540 53.050 -0.047 0.000 0.949 327 N CB 0.857 39.410 38.487 0.110 0.000 1.110 327 N HN 0.466 nan 8.380 nan 0.000 0.490 328 P HA -0.005 nan 4.420 nan 0.000 0.241 328 P C -0.497 176.537 177.300 -0.444 0.000 1.191 328 P CA 0.724 63.400 63.100 -0.707 0.000 0.771 328 P CB 0.461 31.176 31.700 -1.641 0.000 0.929 329 E N -0.018 120.023 120.200 -0.265 0.000 2.280 329 E HA 0.172 4.743 4.350 0.370 0.000 0.264 329 E C 0.222 176.790 176.600 -0.052 0.000 1.064 329 E CA -0.459 55.841 56.400 -0.166 0.000 0.900 329 E CB 0.474 30.097 29.700 -0.128 0.000 1.123 329 E HN -0.146 nan 8.360 nan 0.000 0.418 330 N N -0.530 118.127 118.700 -0.071 0.000 2.184 330 N HA 0.165 5.127 4.740 0.370 0.000 0.206 330 N C -0.623 174.787 175.510 -0.167 0.000 1.151 330 N CA 0.040 53.100 53.050 0.017 0.000 0.878 330 N CB 1.107 39.585 38.487 -0.016 0.000 1.014 330 N HN 0.513 nan 8.380 nan 0.000 0.512 331 G N -1.130 107.484 108.800 -0.310 0.000 2.606 331 G HA2 0.462 4.644 3.960 0.370 0.000 0.300 331 G HA3 0.462 4.644 3.960 0.370 0.000 0.300 331 G C -1.824 172.779 174.900 -0.495 0.000 1.360 331 G CA -0.656 44.139 45.100 -0.509 0.000 0.783 331 G HN -0.010 nan 8.290 nan 0.000 0.484 332 F N 0.127 120.091 119.950 0.023 0.000 2.426 332 F HA 0.539 5.285 4.527 0.365 0.000 0.348 332 F C -0.506 175.336 175.800 0.070 0.000 1.124 332 F CA -1.281 56.755 58.000 0.060 0.000 1.008 332 F CB 1.959 41.034 39.000 0.125 0.000 1.139 332 F HN 0.260 nan 8.300 nan 0.000 0.452 333 F N 3.326 123.266 119.950 -0.017 0.000 2.441 333 F HA 0.633 5.388 4.527 0.381 0.000 0.337 333 F C 0.505 176.078 175.800 -0.377 0.000 1.182 333 F CA -1.086 56.797 58.000 -0.194 0.000 1.279 333 F CB -0.158 38.760 39.000 -0.136 0.000 1.614 333 F HN 0.480 nan 8.300 nan 0.000 0.574 334 G N 2.332 110.494 108.800 -1.064 0.000 2.400 334 G HA2 0.441 4.622 3.960 0.370 0.000 0.301 334 G HA3 0.441 4.622 3.960 0.370 0.000 0.301 334 G C -0.848 173.282 174.900 -1.283 0.000 1.154 334 G CA -0.641 43.707 45.100 -1.253 0.000 0.852 334 G HN 0.227 nan 8.290 nan 0.000 0.511 335 V N 1.918 121.430 119.914 -0.670 0.000 2.493 335 V HA 0.207 4.549 4.120 0.370 0.000 0.292 335 V C 1.490 177.304 176.094 -0.465 0.000 1.016 335 V CA 0.648 62.664 62.300 -0.474 0.000 1.097 335 V CB 0.541 32.214 31.823 -0.250 0.000 0.947 335 V HN 0.981 nan 8.190 nan 0.000 0.479 336 A N 7.943 130.452 122.820 -0.519 0.000 1.855 336 A HA 0.159 4.701 4.320 0.370 0.000 0.213 336 A C -1.309 175.563 177.584 -1.187 0.000 1.195 336 A CA 0.642 52.178 52.037 -0.835 0.000 0.610 336 A CB -1.104 17.397 19.000 -0.832 0.000 0.837 336 A HN 0.721 nan 8.150 nan 0.000 0.444 337 P HA 0.290 nan 4.420 nan 0.000 0.265 337 P C 0.760 177.939 177.300 -0.202 0.000 1.193 337 P CA 1.755 64.624 63.100 -0.384 0.000 0.765 337 P CB 0.598 32.204 31.700 -0.157 0.000 0.823 338 G N 1.672 110.471 108.800 -0.001 0.000 2.217 338 G HA2 -0.210 3.971 3.960 0.370 0.000 0.246 338 G HA3 -0.210 3.971 3.960 0.370 0.000 0.246 338 G C 0.201 175.140 174.900 0.064 0.000 0.990 338 G CA -0.041 45.091 45.100 0.054 0.000 0.627 338 G HN 0.577 nan 8.290 nan 0.000 0.522 339 T N 2.155 116.741 114.554 0.054 0.000 2.737 339 T HA 0.576 5.147 4.350 0.370 0.000 0.296 339 T C 0.489 175.356 174.700 0.278 0.000 0.922 339 T CA 0.738 62.916 62.100 0.129 0.000 1.079 339 T CB 1.229 70.141 68.868 0.075 0.000 0.892 339 T HN 1.280 nan 8.240 nan 0.000 0.514 340 S N 1.793 117.545 115.700 0.086 0.000 2.732 340 S HA 0.489 5.180 4.470 0.370 0.000 0.293 340 S C 1.120 175.694 174.600 -0.044 0.000 1.159 340 S CA -0.888 57.326 58.200 0.024 0.000 0.847 340 S CB 0.898 64.073 63.200 -0.041 0.000 1.169 340 S HN 0.181 nan 8.310 nan 0.000 0.501 341 V N 1.717 121.593 119.914 -0.063 0.000 2.490 341 V HA -0.127 4.214 4.120 0.370 0.000 0.250 341 V C 2.457 178.481 176.094 -0.118 0.000 1.061 341 V CA 1.964 64.217 62.300 -0.077 0.000 1.064 341 V CB -1.053 30.731 31.823 -0.066 0.000 0.670 341 V HN 0.816 nan 8.190 nan 0.000 0.461 342 K N 0.445 120.747 120.400 -0.165 0.000 2.031 342 K HA -0.119 4.422 4.320 0.370 0.000 0.205 342 K C 2.313 178.683 176.600 -0.384 0.000 1.049 342 K CA 1.893 58.031 56.287 -0.249 0.000 0.939 342 K CB -0.433 31.901 32.500 -0.277 0.000 0.717 342 K HN 0.685 nan 8.250 nan 0.000 0.438 343 T N -1.604 112.687 114.554 -0.437 0.000 2.937 343 T HA -0.012 4.559 4.350 0.370 0.000 0.260 343 T C 0.943 175.551 174.700 -0.154 0.000 1.051 343 T CA 0.612 62.368 62.100 -0.573 0.000 1.141 343 T CB 0.109 68.684 68.868 -0.488 0.000 0.879 343 T HN -0.065 nan 8.240 nan 0.000 0.459 344 N N 1.376 120.018 118.700 -0.097 0.000 2.732 344 N HA 0.280 5.241 4.740 0.370 0.000 0.235 344 N C -2.531 172.946 175.510 -0.054 0.000 1.466 344 N CA -1.665 51.360 53.050 -0.041 0.000 0.751 344 N CB 1.641 40.128 38.487 -0.001 0.000 1.317 344 N HN 0.044 nan 8.380 nan 0.000 0.525 345 P HA -0.066 nan 4.420 nan 0.000 0.218 345 P C 0.780 178.044 177.300 -0.060 0.000 1.149 345 P CA 1.015 64.079 63.100 -0.060 0.000 0.817 345 P CB 0.596 32.260 31.700 -0.060 0.000 0.785 346 N N 0.077 118.738 118.700 -0.065 0.000 2.270 346 N HA -0.054 4.908 4.740 0.370 0.000 0.181 346 N C 1.857 177.306 175.510 -0.101 0.000 1.016 346 N CA 1.276 54.283 53.050 -0.073 0.000 0.870 346 N CB -0.650 37.794 38.487 -0.071 0.000 0.979 346 N HN 0.120 nan 8.380 nan 0.000 0.431 347 A N 1.584 124.332 122.820 -0.120 0.000 1.897 347 A HA -0.039 4.503 4.320 0.370 0.000 0.215 347 A C 2.103 179.565 177.584 -0.204 0.000 1.181 347 A CA 0.650 52.576 52.037 -0.184 0.000 0.620 347 A CB -0.349 18.560 19.000 -0.153 0.000 0.821 347 A HN 0.069 nan 8.150 nan 0.000 0.443 348 I N 0.357 120.857 120.570 -0.117 0.000 2.194 348 I HA -0.282 4.109 4.170 0.370 0.000 0.246 348 I C 2.222 178.282 176.117 -0.096 0.000 1.093 348 I CA 1.829 63.080 61.300 -0.082 0.000 1.355 348 I CB -1.223 36.751 38.000 -0.043 0.000 1.046 348 I HN 0.397 nan 8.210 nan 0.000 0.413 349 K N 0.095 120.446 120.400 -0.082 0.000 2.057 349 K HA -0.112 4.430 4.320 0.370 0.000 0.206 349 K C 2.046 178.604 176.600 -0.071 0.000 1.050 349 K CA 1.794 58.043 56.287 -0.064 0.000 0.935 349 K CB -0.279 32.194 32.500 -0.046 0.000 0.715 349 K HN 0.331 nan 8.250 nan 0.000 0.439 350 T N 2.146 116.646 114.554 -0.090 0.000 2.777 350 T HA -0.090 4.481 4.350 0.370 0.000 0.266 350 T C 1.820 176.460 174.700 -0.101 0.000 1.040 350 T CA 1.320 63.377 62.100 -0.071 0.000 1.141 350 T CB -0.244 68.602 68.868 -0.037 0.000 0.868 350 T HN 0.394 nan 8.240 nan 0.000 0.444 351 I N -0.812 119.648 120.570 -0.184 0.000 3.735 351 I HA 0.243 4.635 4.170 0.370 0.000 0.310 351 I C 1.538 177.602 176.117 -0.089 0.000 1.270 351 I CA 0.334 61.510 61.300 -0.207 0.000 1.207 351 I CB -0.365 37.385 38.000 -0.417 0.000 1.013 351 I HN 0.072 nan 8.210 nan 0.000 0.452 352 Q N 2.373 122.099 119.800 -0.124 0.000 2.360 352 Q HA 0.178 4.739 4.340 0.370 0.000 0.202 352 Q C -0.154 175.841 176.000 -0.007 0.000 0.915 352 Q CA 0.135 55.823 55.803 -0.191 0.000 0.943 352 Q CB 0.396 29.033 28.738 -0.169 0.000 1.064 352 Q HN 0.667 nan 8.270 nan 0.000 0.511 353 K N -0.933 119.483 120.400 0.027 0.000 2.527 353 K HA 0.309 4.851 4.320 0.370 0.000 0.260 353 K C -0.640 176.018 176.600 0.097 0.000 0.937 353 K CA -0.887 55.448 56.287 0.080 0.000 0.826 353 K CB 1.100 33.642 32.500 0.070 0.000 1.359 353 K HN -0.205 nan 8.250 nan 0.000 0.434 354 N N 0.338 119.131 118.700 0.154 0.000 2.721 354 N HA -0.139 4.823 4.740 0.370 0.000 0.249 354 N C -1.234 174.398 175.510 0.203 0.000 1.072 354 N CA 1.523 54.704 53.050 0.218 0.000 0.710 354 N CB -1.319 37.275 38.487 0.180 0.000 0.993 354 N HN 0.788 nan 8.380 nan 0.000 0.547 355 T N 0.795 115.462 114.554 0.189 0.000 2.824 355 T HA 0.624 5.196 4.350 0.370 0.000 0.282 355 T C 0.773 175.554 174.700 0.136 0.000 0.993 355 T CA -0.502 61.630 62.100 0.053 0.000 0.967 355 T CB 1.853 70.615 68.868 -0.176 0.000 0.960 355 T HN 0.061 nan 8.240 nan 0.000 0.441 356 I N 3.392 124.014 120.570 0.087 0.000 2.331 356 I HA 0.421 4.812 4.170 0.370 0.000 0.292 356 I C -0.735 175.417 176.117 0.059 0.000 0.998 356 I CA -0.603 60.826 61.300 0.214 0.000 1.267 356 I CB 0.742 38.857 38.000 0.191 0.000 1.386 356 I HN 0.498 nan 8.210 nan 0.000 0.476 357 F N 3.358 123.501 119.950 0.321 0.000 2.450 357 F HA 0.491 5.242 4.527 0.373 0.000 0.332 357 F C 0.408 176.373 175.800 0.276 0.000 1.093 357 F CA -0.462 57.710 58.000 0.287 0.000 1.003 357 F CB 2.020 41.203 39.000 0.305 0.000 1.151 357 F HN 0.249 nan 8.300 nan 0.000 0.474 358 T N 2.871 117.649 114.554 0.374 0.000 2.881 358 T HA 0.253 4.825 4.350 0.370 0.000 0.291 358 T C -0.410 174.411 174.700 0.202 0.000 0.990 358 T CA -0.836 61.427 62.100 0.271 0.000 0.976 358 T CB 0.882 69.885 68.868 0.223 0.000 0.970 358 T HN 0.615 nan 8.240 nan 0.000 0.438 359 N N 0.298 119.120 118.700 0.204 0.000 2.776 359 N HA -0.137 4.825 4.740 0.370 0.000 0.250 359 N C 0.094 175.711 175.510 0.178 0.000 1.112 359 N CA 1.096 54.268 53.050 0.203 0.000 0.733 359 N CB -1.763 36.707 38.487 -0.028 0.000 1.097 359 N HN 0.695 nan 8.380 nan 0.000 0.558 360 V N -3.156 116.916 119.914 0.262 0.000 3.234 360 V HA 0.932 5.273 4.120 0.370 0.000 0.317 360 V C 0.877 177.129 176.094 0.264 0.000 1.081 360 V CA -0.488 61.984 62.300 0.287 0.000 1.037 360 V CB 1.718 33.809 31.823 0.447 0.000 1.148 360 V HN 0.272 nan 8.190 nan 0.000 0.453 361 A N 0.851 123.796 122.820 0.209 0.000 2.302 361 A HA 0.617 5.158 4.320 0.370 0.000 0.285 361 A C -0.006 177.638 177.584 0.100 0.000 1.105 361 A CA -0.470 51.646 52.037 0.131 0.000 0.816 361 A CB 0.528 19.555 19.000 0.046 0.000 1.067 361 A HN 1.021 nan 8.150 nan 0.000 0.489 362 E N 0.555 120.795 120.200 0.066 0.000 2.187 362 E HA 0.450 5.022 4.350 0.370 0.000 0.268 362 E C -0.182 176.410 176.600 -0.012 0.000 0.896 362 E CA -0.529 55.885 56.400 0.024 0.000 0.766 362 E CB 1.174 30.894 29.700 0.032 0.000 1.142 362 E HN 0.790 nan 8.360 nan 0.000 0.408 363 T N 0.957 115.478 114.554 -0.054 0.000 2.849 363 T HA 0.150 4.721 4.350 0.370 0.000 0.284 363 T C 1.119 175.768 174.700 -0.084 0.000 1.004 363 T CA -0.579 61.462 62.100 -0.097 0.000 1.021 363 T CB 1.501 70.287 68.868 -0.136 0.000 1.013 363 T HN 0.309 nan 8.240 nan 0.000 0.527 364 S N 1.014 116.664 115.700 -0.083 0.000 2.419 364 S HA -0.093 4.598 4.470 0.370 0.000 0.233 364 S C 1.479 176.029 174.600 -0.082 0.000 1.016 364 S CA 1.188 59.347 58.200 -0.069 0.000 0.974 364 S CB -0.437 62.726 63.200 -0.061 0.000 0.786 364 S HN 0.956 nan 8.310 nan 0.000 0.492 365 D N 0.087 120.423 120.400 -0.107 0.000 2.325 365 D HA 0.232 5.094 4.640 0.370 0.000 0.225 365 D C 1.047 177.241 176.300 -0.176 0.000 1.096 365 D CA 0.522 54.445 54.000 -0.127 0.000 0.844 365 D CB -0.584 40.139 40.800 -0.127 0.000 0.925 365 D HN 0.333 nan 8.370 nan 0.000 0.513 366 G N -0.679 108.022 108.800 -0.165 0.000 2.149 366 G HA2 -0.103 4.079 3.960 0.370 0.000 0.235 366 G HA3 -0.103 4.079 3.960 0.370 0.000 0.235 366 G C 0.504 175.221 174.900 -0.305 0.000 1.018 366 G CA -0.110 44.873 45.100 -0.194 0.000 0.728 366 G HN 0.784 nan 8.290 nan 0.000 0.508 367 G N -1.517 107.117 108.800 -0.276 0.000 2.613 367 G HA2 0.889 5.070 3.960 0.370 0.000 0.303 367 G HA3 0.889 5.070 3.960 0.370 0.000 0.303 367 G C 0.218 175.093 174.900 -0.041 0.000 1.312 367 G CA 0.087 45.031 45.100 -0.260 0.000 1.036 367 G HN 1.516 nan 8.290 nan 0.000 0.513 368 V N -2.666 117.266 119.914 0.031 0.000 2.732 368 V HA 0.815 5.157 4.120 0.370 0.000 0.310 368 V C -1.085 174.851 176.094 -0.262 0.000 1.053 368 V CA -1.142 61.048 62.300 -0.183 0.000 0.957 368 V CB 1.413 32.939 31.823 -0.496 0.000 1.018 368 V HN 0.660 nan 8.190 nan 0.000 0.452 369 Y N 3.188 123.247 120.300 -0.402 0.000 2.544 369 Y HA 0.776 5.548 4.550 0.370 0.000 0.342 369 Y C -1.258 174.505 175.900 -0.229 0.000 1.062 369 Y CA -0.904 56.904 58.100 -0.487 0.000 1.023 369 Y CB 2.196 40.507 38.460 -0.248 0.000 1.308 369 Y HN 1.083 nan 8.280 nan 0.000 0.457 370 W N 1.443 122.539 121.300 -0.341 0.000 3.066 370 W HA 0.642 5.527 4.660 0.376 0.000 0.330 370 W C -1.457 174.892 176.519 -0.284 0.000 1.253 370 W CA -1.167 56.037 57.345 -0.234 0.000 1.187 370 W CB 0.255 29.633 29.460 -0.137 0.000 1.434 370 W HN 0.342 nan 8.180 nan 0.000 0.572 371 E N 0.962 121.247 120.200 0.142 0.000 2.465 371 E HA 0.389 4.960 4.350 0.370 0.000 0.260 371 E C 1.152 177.856 176.600 0.174 0.000 0.980 371 E CA 2.290 58.756 56.400 0.109 0.000 0.927 371 E CB 0.266 30.016 29.700 0.082 0.000 0.934 371 E HN 1.146 nan 8.360 nan 0.000 0.459 372 G N 3.073 111.932 108.800 0.098 0.000 2.143 372 G HA2 -0.334 3.848 3.960 0.370 0.000 0.248 372 G HA3 -0.334 3.848 3.960 0.370 0.000 0.248 372 G C 0.834 175.793 174.900 0.098 0.000 0.991 372 G CA 0.361 45.517 45.100 0.094 0.000 0.689 372 G HN 0.627 nan 8.290 nan 0.000 0.522 373 I N -0.063 120.493 120.570 -0.024 0.000 2.614 373 I HA 0.024 4.416 4.170 0.370 0.000 0.258 373 I C 1.358 177.378 176.117 -0.162 0.000 1.189 373 I CA 1.246 62.423 61.300 -0.204 0.000 1.462 373 I CB 0.010 37.444 38.000 -0.943 0.000 1.092 373 I HN 0.232 nan 8.210 nan 0.000 0.442 374 D N 2.589 122.918 120.400 -0.118 0.000 2.708 374 D HA -0.265 4.597 4.640 0.370 0.000 0.236 374 D C -0.024 176.239 176.300 -0.061 0.000 1.146 374 D CA 1.026 54.987 54.000 -0.065 0.000 0.662 374 D CB -0.782 39.982 40.800 -0.060 0.000 1.059 374 D HN 0.705 nan 8.370 nan 0.000 0.428 375 E N 0.451 120.614 120.200 -0.062 0.000 2.265 375 E HA 0.448 5.020 4.350 0.370 0.000 0.262 375 E C -2.558 174.099 176.600 0.095 0.000 0.889 375 E CA -1.535 54.859 56.400 -0.009 0.000 0.789 375 E CB 1.626 31.297 29.700 -0.048 0.000 1.221 375 E HN -0.060 nan 8.360 nan 0.000 0.414 376 P HA 0.201 nan 4.420 nan 0.000 0.278 376 P C -0.721 176.613 177.300 0.056 0.000 1.238 376 P CA -0.312 62.835 63.100 0.078 0.000 0.794 376 P CB 0.989 32.710 31.700 0.034 0.000 0.955 377 L N 1.370 122.604 121.223 0.018 0.000 2.343 377 L HA 0.538 5.099 4.340 0.370 0.000 0.275 377 L C 0.952 177.797 176.870 -0.042 0.000 1.056 377 L CA -1.165 53.651 54.840 -0.040 0.000 0.804 377 L CB 1.202 43.177 42.059 -0.141 0.000 1.203 377 L HN 0.437 nan 8.230 nan 0.000 0.440 378 A N 3.489 126.283 122.820 -0.044 0.000 2.520 378 A HA 0.318 4.860 4.320 0.370 0.000 0.235 378 A C -2.234 175.322 177.584 -0.047 0.000 1.065 378 A CA -0.799 51.214 52.037 -0.040 0.000 0.764 378 A CB -0.726 18.250 19.000 -0.040 0.000 1.002 378 A HN 0.468 nan 8.150 nan 0.000 0.502 379 P HA 0.304 nan 4.420 nan 0.000 0.263 379 P C 1.020 178.294 177.300 -0.043 0.000 1.195 379 P CA 1.616 64.692 63.100 -0.040 0.000 0.762 379 P CB 0.660 32.341 31.700 -0.032 0.000 0.799 380 G N 1.719 110.490 108.800 -0.048 0.000 2.376 380 G HA2 -0.208 3.974 3.960 0.370 0.000 0.208 380 G HA3 -0.208 3.974 3.960 0.370 0.000 0.208 380 G C -0.021 174.844 174.900 -0.058 0.000 1.032 380 G CA -0.313 44.758 45.100 -0.048 0.000 0.641 380 G HN 0.508 nan 8.290 nan 0.000 0.503 381 V N 3.759 123.631 119.914 -0.070 0.000 2.450 381 V HA 0.473 4.814 4.120 0.370 0.000 0.281 381 V C 1.188 177.222 176.094 -0.100 0.000 1.019 381 V CA 0.918 63.165 62.300 -0.088 0.000 1.062 381 V CB 0.436 32.196 31.823 -0.104 0.000 0.979 381 V HN 0.876 nan 8.190 nan 0.000 0.477 382 T N 3.627 118.131 114.554 -0.083 0.000 2.937 382 T HA 0.816 5.388 4.350 0.370 0.000 0.283 382 T C -0.539 174.122 174.700 -0.064 0.000 1.012 382 T CA -0.817 61.243 62.100 -0.067 0.000 0.997 382 T CB 1.801 70.646 68.868 -0.037 0.000 1.136 382 T HN 0.295 nan 8.240 nan 0.000 0.551 383 I N 0.873 121.442 120.570 -0.001 0.000 2.465 383 I HA 0.369 4.760 4.170 0.370 0.000 0.291 383 I C -0.240 175.950 176.117 0.122 0.000 1.014 383 I CA -0.820 60.509 61.300 0.048 0.000 1.093 383 I CB 2.420 40.506 38.000 0.144 0.000 1.267 383 I HN 0.650 nan 8.210 nan 0.000 0.431 384 T N 4.095 118.697 114.554 0.079 0.000 2.758 384 T HA 0.288 4.859 4.350 0.370 0.000 0.285 384 T C 0.271 175.019 174.700 0.080 0.000 0.981 384 T CA -0.589 61.563 62.100 0.086 0.000 0.965 384 T CB 1.137 70.034 68.868 0.049 0.000 0.927 384 T HN 0.757 nan 8.240 nan 0.000 0.448 385 S N 3.845 119.595 115.700 0.082 0.000 2.617 385 S HA 0.104 4.796 4.470 0.370 0.000 0.259 385 S C 1.552 176.187 174.600 0.060 0.000 1.301 385 S CA -0.865 57.342 58.200 0.012 0.000 0.984 385 S CB 0.329 63.506 63.200 -0.038 0.000 0.954 385 S HN 0.911 nan 8.310 nan 0.000 0.572 386 W N 0.588 121.860 121.300 -0.046 0.000 2.611 386 W HA 0.097 4.981 4.660 0.372 0.000 0.251 386 W C 0.389 176.906 176.519 -0.003 0.000 1.265 386 W CA 0.450 57.792 57.345 -0.004 0.000 1.295 386 W CB -0.819 28.647 29.460 0.011 0.000 1.129 386 W HN 0.634 nan 8.180 nan 0.000 0.630 387 K N 1.282 121.280 120.400 -0.670 0.000 2.446 387 K HA -0.052 4.490 4.320 0.370 0.000 0.203 387 K C 0.341 176.781 176.600 -0.267 0.000 1.027 387 K CA 0.015 55.912 56.287 -0.650 0.000 1.166 387 K CB -0.532 31.547 32.500 -0.702 0.000 0.869 387 K HN -0.116 nan 8.250 nan 0.000 0.504 388 N N 1.972 120.591 118.700 -0.136 0.000 2.725 388 N HA -0.190 4.772 4.740 0.370 0.000 0.251 388 N C -1.327 174.163 175.510 -0.033 0.000 1.031 388 N CA 0.902 53.923 53.050 -0.049 0.000 0.720 388 N CB -0.788 37.678 38.487 -0.036 0.000 0.930 388 N HN 0.182 nan 8.380 nan 0.000 0.543 389 K N 0.306 120.697 120.400 -0.015 0.000 2.422 389 K HA 0.384 4.926 4.320 0.370 0.000 0.251 389 K C -0.728 175.927 176.600 0.091 0.000 0.933 389 K CA -0.709 55.592 56.287 0.023 0.000 0.798 389 K CB 1.162 33.670 32.500 0.013 0.000 1.238 389 K HN 0.254 nan 8.250 nan 0.000 0.428 390 E N 2.215 122.464 120.200 0.082 0.000 2.480 390 E HA -0.005 4.566 4.350 0.370 0.000 0.258 390 E C -1.344 175.367 176.600 0.184 0.000 0.984 390 E CA 0.280 56.742 56.400 0.102 0.000 0.930 390 E CB 0.486 30.213 29.700 0.045 0.000 0.936 390 E HN 0.427 nan 8.360 nan 0.000 0.466 391 W N 4.348 125.644 121.300 -0.007 0.000 2.957 391 W HA 0.369 5.252 4.660 0.372 0.000 0.336 391 W C -1.090 175.427 176.519 -0.005 0.000 1.087 391 W CA -0.737 56.614 57.345 0.010 0.000 1.235 391 W CB 1.165 30.651 29.460 0.043 0.000 1.399 391 W HN 0.431 nan 8.180 nan 0.000 0.480 392 R N 5.553 125.608 120.500 -0.742 0.000 2.532 392 R HA 0.324 4.886 4.340 0.370 0.000 0.295 392 R C -1.786 173.706 176.300 -1.346 0.000 0.968 392 R CA -1.660 54.010 56.100 -0.718 0.000 0.916 392 R CB 1.618 31.666 30.300 -0.421 0.000 1.124 392 R HN 0.204 nan 8.270 nan 0.000 0.463 393 P HA -0.173 nan 4.420 nan 0.000 0.224 393 P C 0.291 177.383 177.300 -0.347 0.000 1.142 393 P CA 1.258 64.060 63.100 -0.496 0.000 0.778 393 P CB 0.258 31.914 31.700 -0.073 0.000 0.764 394 Q N -1.009 118.555 119.800 -0.393 0.000 2.141 394 Q HA 0.093 4.655 4.340 0.370 0.000 0.248 394 Q C -0.518 175.363 176.000 -0.197 0.000 0.834 394 Q CA -0.283 55.402 55.803 -0.197 0.000 1.096 394 Q CB 0.224 28.883 28.738 -0.131 0.000 1.189 394 Q HN 0.108 nan 8.270 nan 0.000 0.471 395 D N 0.703 120.910 120.400 -0.322 0.000 2.312 395 D HA -0.005 4.856 4.640 0.370 0.000 0.248 395 D C -0.081 176.234 176.300 0.025 0.000 1.086 395 D CA -0.096 53.791 54.000 -0.189 0.000 0.948 395 D CB 1.015 41.610 40.800 -0.342 0.000 1.162 395 D HN 0.114 nan 8.370 nan 0.000 0.446 396 E N 0.896 121.128 120.200 0.054 0.000 2.422 396 E HA 0.034 4.606 4.350 0.370 0.000 0.267 396 E C -0.805 175.892 176.600 0.162 0.000 1.466 396 E CA 0.103 56.561 56.400 0.096 0.000 1.767 396 E CB -0.027 29.708 29.700 0.058 0.000 1.471 396 E HN 0.268 nan 8.360 nan 0.000 0.446 397 E N 0.443 120.811 120.200 0.279 0.000 2.388 397 E HA 0.286 4.857 4.350 0.370 0.000 0.289 397 E C -2.830 174.072 176.600 0.503 0.000 0.944 397 E CA -2.005 54.602 56.400 0.345 0.000 0.792 397 E CB 1.628 31.533 29.700 0.342 0.000 1.239 397 E HN -0.002 nan 8.360 nan 0.000 0.412 398 P HA 0.070 nan 4.420 nan 0.000 0.275 398 P C 0.861 178.102 177.300 -0.098 0.000 1.227 398 P CA -0.358 62.829 63.100 0.145 0.000 0.781 398 P CB 0.505 32.238 31.700 0.055 0.000 0.906 399 C N 1.155 120.048 119.300 -0.680 0.000 2.468 399 C HA 0.482 5.163 4.460 0.370 0.000 0.277 399 C C 0.967 175.872 174.990 -0.142 0.000 1.400 399 C CA 0.344 58.761 59.018 -1.002 0.000 1.770 399 C CB -1.417 25.299 27.740 -1.707 0.000 1.905 399 C HN 0.567 nan 8.230 nan 0.000 0.519 400 A N -0.320 122.445 122.820 -0.092 0.000 2.413 400 A HA 0.574 5.115 4.320 0.370 0.000 0.307 400 A C -0.532 176.756 177.584 -0.493 0.000 1.087 400 A CA -0.403 51.559 52.037 -0.126 0.000 0.750 400 A CB 0.171 19.181 19.000 0.018 0.000 1.296 400 A HN 0.571 nan 8.150 nan 0.000 0.423 401 H N 1.778 120.148 119.070 -1.167 0.000 2.848 401 H HA 0.083 4.860 4.556 0.369 0.000 0.341 401 H C -1.681 173.334 175.328 -0.522 0.000 1.060 401 H CA -0.767 54.588 56.048 -1.155 0.000 1.444 401 H CB 1.179 30.015 29.762 -1.542 0.000 1.446 401 H HN 0.267 nan 8.280 nan 0.000 0.583 402 P HA -0.160 nan 4.420 nan 0.000 0.217 402 P C 0.446 177.581 177.300 -0.274 0.000 1.148 402 P CA 1.642 64.477 63.100 -0.441 0.000 0.834 402 P CB 0.268 31.697 31.700 -0.452 0.000 0.783 403 N N -1.444 117.154 118.700 -0.170 0.000 2.401 403 N HA 0.068 5.030 4.740 0.370 0.000 0.264 403 N C -0.627 174.888 175.510 0.008 0.000 1.238 403 N CA -0.237 52.794 53.050 -0.032 0.000 0.889 403 N CB -0.084 38.421 38.487 0.029 0.000 1.196 403 N HN -0.033 nan 8.380 nan 0.000 0.511 404 S N -0.316 115.347 115.700 -0.062 0.000 2.573 404 S HA 0.360 5.052 4.470 0.370 0.000 0.277 404 S C 0.179 174.662 174.600 -0.196 0.000 1.346 404 S CA -0.368 57.782 58.200 -0.082 0.000 1.034 404 S CB 1.314 64.453 63.200 -0.101 0.000 0.879 404 S HN 0.129 nan 8.310 nan 0.000 0.528 405 R N 0.561 120.937 120.500 -0.207 0.000 2.837 405 R HA 0.547 5.109 4.340 0.370 0.000 0.271 405 R C -1.024 175.094 176.300 -0.303 0.000 0.993 405 R CA -0.676 55.112 56.100 -0.521 0.000 0.931 405 R CB 1.482 31.155 30.300 -1.044 0.000 1.206 405 R HN 0.789 nan 8.270 nan 0.000 0.474 406 F N -1.475 118.243 119.950 -0.387 0.000 2.507 406 F HA 0.661 5.414 4.527 0.376 0.000 0.327 406 F C -0.340 175.296 175.800 -0.274 0.000 1.068 406 F CA -1.480 56.270 58.000 -0.417 0.000 0.965 406 F CB 1.223 39.893 39.000 -0.549 0.000 1.192 406 F HN 0.307 nan 8.300 nan 0.000 0.476 407 C N 3.015 122.349 119.300 0.058 0.000 2.386 407 C HA 0.716 5.397 4.460 0.370 0.000 0.318 407 C C -0.472 174.574 174.990 0.094 0.000 1.128 407 C CA 0.034 59.149 59.018 0.161 0.000 1.438 407 C CB -0.373 27.466 27.740 0.166 0.000 1.987 407 C HN 1.057 nan 8.230 nan 0.000 0.426 408 T N 6.536 121.185 114.554 0.158 0.000 2.876 408 T HA 0.624 5.196 4.350 0.370 0.000 0.289 408 T C -2.894 171.785 174.700 -0.034 0.000 1.014 408 T CA -1.293 60.850 62.100 0.072 0.000 0.986 408 T CB 1.720 70.643 68.868 0.093 0.000 1.021 408 T HN 0.444 nan 8.240 nan 0.000 0.458 409 P HA 0.237 nan 4.420 nan 0.000 0.268 409 P C 0.041 177.143 177.300 -0.331 0.000 1.204 409 P CA -0.130 62.861 63.100 -0.182 0.000 0.768 409 P CB 0.533 32.172 31.700 -0.102 0.000 0.842 410 A N 3.152 125.599 122.820 -0.621 0.000 1.969 410 A HA -0.149 4.393 4.320 0.370 0.000 0.218 410 A C 2.050 179.185 177.584 -0.749 0.000 1.169 410 A CA 1.948 53.354 52.037 -1.051 0.000 0.635 410 A CB -1.573 16.559 19.000 -1.448 0.000 0.810 410 A HN 0.585 nan 8.150 nan 0.000 0.445 411 S N -0.564 114.847 115.700 -0.482 0.000 2.500 411 S HA -0.189 4.503 4.470 0.370 0.000 0.239 411 S C 1.603 176.133 174.600 -0.116 0.000 0.989 411 S CA 1.352 59.430 58.200 -0.203 0.000 0.951 411 S CB -0.387 62.853 63.200 0.068 0.000 0.759 411 S HN 0.703 nan 8.310 nan 0.000 0.523 412 Q N -0.329 119.404 119.800 -0.111 0.000 2.424 412 Q HA 0.208 4.770 4.340 0.370 0.000 0.204 412 Q C 0.620 176.609 176.000 -0.019 0.000 0.933 412 Q CA -0.078 55.701 55.803 -0.040 0.000 0.929 412 Q CB 0.126 28.851 28.738 -0.022 0.000 1.037 412 Q HN 0.644 nan 8.270 nan 0.000 0.511 413 C N 3.157 122.452 119.300 -0.009 0.000 2.633 413 C HA 0.060 4.741 4.460 0.370 0.000 0.415 413 C C -0.813 174.169 174.990 -0.014 0.000 1.393 413 C CA -1.537 57.500 59.018 0.031 0.000 1.700 413 C CB 0.461 28.281 27.740 0.133 0.000 2.541 413 C HN 0.364 nan 8.230 nan 0.000 0.603 414 P HA -0.098 nan 4.420 nan 0.000 0.220 414 P C 0.835 178.134 177.300 -0.002 0.000 1.148 414 P CA 1.466 64.561 63.100 -0.008 0.000 0.803 414 P CB -0.206 31.487 31.700 -0.013 0.000 0.782 415 I N -3.165 117.401 120.570 -0.006 0.000 3.816 415 I HA 0.284 4.676 4.170 0.370 0.000 0.334 415 I C 0.212 176.339 176.117 0.017 0.000 1.551 415 I CA -1.386 59.918 61.300 0.008 0.000 1.153 415 I CB -1.283 36.720 38.000 0.005 0.000 1.197 415 I HN -0.277 nan 8.210 nan 0.000 0.439 416 I N 2.685 123.250 120.570 -0.009 0.000 2.752 416 I HA -0.013 4.378 4.170 0.370 0.000 0.289 416 I C 0.412 176.570 176.117 0.068 0.000 1.197 416 I CA 0.477 61.745 61.300 -0.053 0.000 1.432 416 I CB 0.170 37.995 38.000 -0.291 0.000 1.359 416 I HN 0.316 nan 8.210 nan 0.000 0.571 417 D N 9.067 129.566 120.400 0.164 0.000 2.424 417 D HA 0.136 4.998 4.640 0.370 0.000 0.244 417 D C -1.518 174.988 176.300 0.343 0.000 1.134 417 D CA -0.990 53.169 54.000 0.265 0.000 0.881 417 D CB 1.044 42.058 40.800 0.357 0.000 1.191 417 D HN 0.368 nan 8.370 nan 0.000 0.445 418 P HA -0.116 nan 4.420 nan 0.000 0.221 418 P C 0.118 177.531 177.300 0.189 0.000 1.145 418 P CA 0.798 64.028 63.100 0.216 0.000 0.795 418 P CB 0.149 31.938 31.700 0.147 0.000 0.775 419 A N -0.459 122.484 122.820 0.205 0.000 2.545 419 A HA 0.123 4.665 4.320 0.370 0.000 0.277 419 A C 1.617 179.242 177.584 0.068 0.000 1.301 419 A CA -0.758 51.331 52.037 0.088 0.000 0.935 419 A CB -1.373 17.666 19.000 0.064 0.000 1.093 419 A HN 0.316 nan 8.150 nan 0.000 0.519 420 W N 1.424 122.744 121.300 0.034 0.000 2.425 420 W HA -0.095 4.781 4.660 0.361 0.000 0.277 420 W C 0.283 176.784 176.519 -0.031 0.000 1.231 420 W CA 1.443 58.798 57.345 0.018 0.000 1.248 420 W CB -0.314 29.174 29.460 0.048 0.000 1.117 420 W HN 0.641 nan 8.180 nan 0.000 0.568 421 E N 1.013 120.701 120.200 -0.853 0.000 2.869 421 E HA 0.218 4.790 4.350 0.370 0.000 0.207 421 E C -0.223 176.113 176.600 -0.439 0.000 0.986 421 E CA -0.304 55.598 56.400 -0.829 0.000 1.131 421 E CB 0.075 28.984 29.700 -1.319 0.000 1.098 421 E HN -0.117 nan 8.360 nan 0.000 0.459 422 S N 2.208 117.739 115.700 -0.281 0.000 2.510 422 S HA 0.111 4.802 4.470 0.370 0.000 0.279 422 S C -1.465 173.032 174.600 -0.172 0.000 1.284 422 S CA -1.359 56.730 58.200 -0.186 0.000 1.059 422 S CB 0.826 63.949 63.200 -0.127 0.000 0.901 422 S HN 0.076 nan 8.310 nan 0.000 0.491 423 P HA -0.128 nan 4.420 nan 0.000 0.218 423 P C 1.252 178.484 177.300 -0.113 0.000 1.148 423 P CA 0.820 63.842 63.100 -0.130 0.000 0.822 423 P CB 0.060 31.696 31.700 -0.107 0.000 0.784 424 E N 0.006 120.144 120.200 -0.103 0.000 2.435 424 E HA 0.078 4.650 4.350 0.370 0.000 0.195 424 E C 1.050 177.586 176.600 -0.106 0.000 1.029 424 E CA 0.944 57.289 56.400 -0.092 0.000 0.865 424 E CB -0.821 28.834 29.700 -0.074 0.000 0.833 424 E HN 0.146 nan 8.360 nan 0.000 0.510 425 G N 0.523 109.248 108.800 -0.126 0.000 2.760 425 G HA2 -0.185 3.997 3.960 0.370 0.000 0.246 425 G HA3 -0.185 3.997 3.960 0.370 0.000 0.246 425 G C -0.228 174.552 174.900 -0.200 0.000 1.359 425 G CA -0.041 44.972 45.100 -0.146 0.000 0.861 425 G HN 0.781 nan 8.290 nan 0.000 0.541 426 V N -2.659 117.089 119.914 -0.277 0.000 2.628 426 V HA 0.881 5.222 4.120 0.370 0.000 0.306 426 V C -2.311 173.607 176.094 -0.293 0.000 1.045 426 V CA -2.047 59.966 62.300 -0.477 0.000 0.905 426 V CB 2.302 33.431 31.823 -1.156 0.000 0.997 426 V HN 0.904 nan 8.190 nan 0.000 0.436 427 P HA 0.359 nan 4.420 nan 0.000 0.286 427 P C -0.524 176.804 177.300 0.046 0.000 1.321 427 P CA -0.134 62.941 63.100 -0.042 0.000 0.790 427 P CB 0.640 32.348 31.700 0.014 0.000 0.897 428 I N 4.049 124.628 120.570 0.015 0.000 2.471 428 I HA 0.094 4.486 4.170 0.370 0.000 0.286 428 I C 1.398 177.566 176.117 0.085 0.000 1.079 428 I CA 0.287 61.633 61.300 0.077 0.000 1.398 428 I CB -0.041 37.988 38.000 0.049 0.000 1.403 428 I HN 0.433 nan 8.210 nan 0.000 0.530 429 E N 3.740 124.007 120.200 0.112 0.000 2.473 429 E HA 0.263 4.835 4.350 0.370 0.000 0.204 429 E C 0.727 177.409 176.600 0.137 0.000 0.994 429 E CA -0.105 56.351 56.400 0.094 0.000 0.945 429 E CB 1.134 30.855 29.700 0.035 0.000 0.990 429 E HN 0.798 nan 8.360 nan 0.000 0.493 430 G N 1.112 110.013 108.800 0.169 0.000 2.753 430 G HA2 0.577 4.759 3.960 0.370 0.000 0.297 430 G HA3 0.577 4.759 3.960 0.370 0.000 0.297 430 G C -1.261 173.755 174.900 0.193 0.000 1.430 430 G CA -0.599 44.647 45.100 0.244 0.000 1.040 430 G HN -0.042 nan 8.290 nan 0.000 0.530 431 I N 1.895 122.564 120.570 0.166 0.000 2.436 431 I HA 0.449 4.841 4.170 0.370 0.000 0.289 431 I C -0.512 175.503 176.117 -0.170 0.000 1.010 431 I CA -0.764 60.526 61.300 -0.016 0.000 1.098 431 I CB 2.102 40.105 38.000 0.005 0.000 1.266 431 I HN 0.228 nan 8.210 nan 0.000 0.434 432 I N 5.742 126.143 120.570 -0.282 0.000 2.404 432 I HA 0.444 4.836 4.170 0.370 0.000 0.293 432 I C -0.875 174.962 176.117 -0.466 0.000 0.992 432 I CA -0.467 60.699 61.300 -0.223 0.000 1.149 432 I CB 1.348 39.338 38.000 -0.017 0.000 1.315 432 I HN 0.271 nan 8.210 nan 0.000 0.446 433 F N 2.852 122.773 119.950 -0.048 0.000 2.523 433 F HA 0.906 5.651 4.527 0.364 0.000 0.329 433 F C 0.681 176.309 175.800 -0.287 0.000 1.061 433 F CA -0.843 57.092 58.000 -0.108 0.000 0.967 433 F CB 2.186 41.117 39.000 -0.115 0.000 1.218 433 F HN 0.516 nan 8.300 nan 0.000 0.480 434 G N -0.470 108.348 108.800 0.029 0.000 2.377 434 G HA2 0.537 4.719 3.960 0.370 0.000 0.297 434 G HA3 0.537 4.719 3.960 0.370 0.000 0.297 434 G C -1.346 173.451 174.900 -0.171 0.000 1.547 434 G CA -0.060 44.787 45.100 -0.422 0.000 0.833 434 G HN 1.043 nan 8.290 nan 0.000 0.583 435 G N -0.870 107.777 108.800 -0.255 0.000 2.815 435 G HA2 0.636 4.818 3.960 0.370 0.000 0.305 435 G HA3 0.636 4.818 3.960 0.370 0.000 0.305 435 G C -1.228 173.531 174.900 -0.236 0.000 1.277 435 G CA -0.932 44.046 45.100 -0.203 0.000 0.795 435 G HN 0.596 nan 8.290 nan 0.000 0.528 436 R N 1.013 121.300 120.500 -0.356 0.000 2.205 436 R HA 0.445 5.007 4.340 0.370 0.000 0.342 436 R C -0.648 175.581 176.300 -0.119 0.000 1.058 436 R CA -0.468 55.386 56.100 -0.409 0.000 0.904 436 R CB 0.784 30.694 30.300 -0.650 0.000 1.089 436 R HN 0.101 nan 8.270 nan 0.000 0.471 437 R N 4.130 124.644 120.500 0.023 0.000 2.358 437 R HA 0.193 4.755 4.340 0.370 0.000 0.309 437 R C -1.996 174.342 176.300 0.063 0.000 1.026 437 R CA -2.351 53.766 56.100 0.028 0.000 0.909 437 R CB 1.435 31.756 30.300 0.035 0.000 1.153 437 R HN 0.410 nan 8.270 nan 0.000 0.515 438 P HA -0.055 nan 4.420 nan 0.000 0.220 438 P C -0.116 177.175 177.300 -0.016 0.000 1.148 438 P CA 0.881 64.011 63.100 0.050 0.000 0.803 438 P CB 0.598 32.309 31.700 0.019 0.000 0.782 439 A N -2.012 120.762 122.820 -0.077 0.000 2.498 439 A HA 0.645 5.187 4.320 0.370 0.000 0.298 439 A C 0.919 178.144 177.584 -0.598 0.000 1.075 439 A CA -0.024 51.880 52.037 -0.222 0.000 0.714 439 A CB 1.139 20.056 19.000 -0.138 0.000 1.299 439 A HN 0.175 nan 8.150 nan 0.000 0.407 440 G N -0.557 107.736 108.800 -0.845 0.000 2.396 440 G HA2 -0.167 4.014 3.960 0.370 0.000 0.242 440 G HA3 -0.167 4.014 3.960 0.370 0.000 0.242 440 G C 0.303 174.779 174.900 -0.707 0.000 1.069 440 G CA 0.408 44.552 45.100 -1.593 0.000 0.633 440 G HN 1.680 nan 8.290 nan 0.000 0.517 441 V N 3.568 123.276 119.914 -0.343 0.000 2.364 441 V HA 0.469 4.811 4.120 0.370 0.000 0.272 441 V C -1.524 174.600 176.094 0.050 0.000 1.036 441 V CA -1.471 60.874 62.300 0.076 0.000 0.880 441 V CB 1.472 33.399 31.823 0.173 0.000 0.991 441 V HN 0.150 nan 8.190 nan 0.000 0.460 442 P HA 0.009 nan 4.420 nan 0.000 0.269 442 P C 0.858 178.019 177.300 -0.233 0.000 1.217 442 P CA -0.257 62.782 63.100 -0.103 0.000 0.783 442 P CB 0.631 32.384 31.700 0.088 0.000 0.898 443 L N 3.179 123.971 121.223 -0.718 0.000 2.013 443 L HA -0.069 4.493 4.340 0.370 0.000 0.212 443 L C 0.514 177.167 176.870 -0.363 0.000 1.073 443 L CA 2.150 56.583 54.840 -0.678 0.000 0.753 443 L CB -0.227 41.143 42.059 -1.149 0.000 0.890 443 L HN 0.216 nan 8.230 nan 0.000 0.432 444 V N -0.693 119.125 119.914 -0.160 0.000 2.891 444 V HA 0.447 4.789 4.120 0.370 0.000 0.304 444 V C -1.590 174.697 176.094 0.323 0.000 1.171 444 V CA -0.608 61.735 62.300 0.072 0.000 0.943 444 V CB 1.867 33.724 31.823 0.057 0.000 1.037 444 V HN 0.376 nan 8.190 nan 0.000 0.427 445 Y N 2.611 123.101 120.300 0.317 0.000 2.615 445 Y HA 0.825 5.598 4.550 0.371 0.000 0.341 445 Y C -0.829 175.390 175.900 0.533 0.000 1.089 445 Y CA -1.019 57.313 58.100 0.387 0.000 1.049 445 Y CB 1.750 40.361 38.460 0.250 0.000 1.296 445 Y HN 0.689 nan 8.280 nan 0.000 0.470 446 E N 2.260 122.881 120.200 0.702 0.000 2.176 446 E HA 0.682 5.254 4.350 0.370 0.000 0.267 446 E C -0.933 175.911 176.600 0.406 0.000 0.893 446 E CA -1.126 55.528 56.400 0.423 0.000 0.761 446 E CB 1.683 31.630 29.700 0.413 0.000 1.133 446 E HN 1.055 nan 8.360 nan 0.000 0.409 447 A N 4.467 127.415 122.820 0.212 0.000 2.498 447 A HA 0.090 4.631 4.320 0.370 0.000 0.239 447 A C 0.922 178.738 177.584 0.385 0.000 1.068 447 A CA -0.022 52.186 52.037 0.284 0.000 0.766 447 A CB 0.211 19.232 19.000 0.035 0.000 1.003 447 A HN 0.865 nan 8.150 nan 0.000 0.497 448 L N 1.543 123.091 121.223 0.541 0.000 2.395 448 L HA 0.055 4.616 4.340 0.370 0.000 0.218 448 L C 1.109 178.138 176.870 0.266 0.000 1.130 448 L CA 1.127 56.149 54.840 0.304 0.000 0.826 448 L CB -0.577 41.505 42.059 0.039 0.000 0.941 448 L HN 0.903 nan 8.230 nan 0.000 0.451 449 S N -3.707 112.165 115.700 0.286 0.000 2.661 449 S HA 0.041 4.733 4.470 0.370 0.000 0.268 449 S C -0.041 174.743 174.600 0.307 0.000 1.162 449 S CA -0.918 57.439 58.200 0.262 0.000 0.817 449 S CB 0.176 63.507 63.200 0.218 0.000 1.141 449 S HN 0.205 nan 8.310 nan 0.000 0.477 450 W N 1.139 122.524 121.300 0.141 0.000 2.338 450 W HA -0.173 4.706 4.660 0.366 0.000 0.304 450 W C 1.503 178.149 176.519 0.211 0.000 1.212 450 W CA 2.413 59.861 57.345 0.171 0.000 1.264 450 W CB -0.390 29.146 29.460 0.128 0.000 1.142 450 W HN 0.850 nan 8.180 nan 0.000 0.512 451 Q N -1.056 118.899 119.800 0.258 0.000 2.079 451 Q HA -0.235 4.327 4.340 0.370 0.000 0.200 451 Q C 2.300 178.401 176.000 0.170 0.000 0.974 451 Q CA 2.083 57.991 55.803 0.175 0.000 0.840 451 Q CB -1.279 27.584 28.738 0.207 0.000 0.898 451 Q HN 0.485 nan 8.270 nan 0.000 0.430 452 H N -0.718 118.408 119.070 0.093 0.000 2.387 452 H HA -0.076 4.702 4.556 0.371 0.000 0.299 452 H C 1.843 177.267 175.328 0.159 0.000 1.090 452 H CA 1.066 57.186 56.048 0.119 0.000 1.332 452 H CB 0.047 29.862 29.762 0.088 0.000 1.386 452 H HN 0.379 nan 8.280 nan 0.000 0.516 453 G N 0.322 109.112 108.800 -0.017 0.000 2.418 453 G HA2 -0.215 3.967 3.960 0.370 0.000 0.217 453 G HA3 -0.215 3.967 3.960 0.370 0.000 0.217 453 G C 1.835 176.620 174.900 -0.192 0.000 1.158 453 G CA 0.969 45.999 45.100 -0.118 0.000 0.771 453 G HN 0.334 nan 8.290 nan 0.000 0.545 454 V N 0.470 120.247 119.914 -0.229 0.000 2.407 454 V HA -0.125 4.217 4.120 0.370 0.000 0.248 454 V C 2.315 178.365 176.094 -0.073 0.000 1.055 454 V CA 1.762 63.972 62.300 -0.150 0.000 1.049 454 V CB -0.630 31.153 31.823 -0.067 0.000 0.662 454 V HN 0.415 nan 8.190 nan 0.000 0.455 455 F N 0.712 120.591 119.950 -0.117 0.000 2.134 455 F HA -0.173 4.578 4.527 0.372 0.000 0.299 455 F C 2.202 177.904 175.800 -0.163 0.000 1.097 455 F CA 1.774 59.736 58.000 -0.063 0.000 1.264 455 F CB -0.370 38.653 39.000 0.040 0.000 1.001 455 F HN -0.043 nan 8.300 nan 0.000 0.479 456 V N 0.728 120.447 119.914 -0.324 0.000 2.295 456 V HA -0.254 4.088 4.120 0.370 0.000 0.246 456 V C 2.794 178.455 176.094 -0.722 0.000 1.049 456 V CA 2.040 64.081 62.300 -0.432 0.000 1.024 456 V CB -1.640 30.057 31.823 -0.210 0.000 0.648 456 V HN 0.569 nan 8.190 nan 0.000 0.447 457 G N -0.481 107.551 108.800 -1.280 0.000 2.440 457 G HA2 -0.237 3.944 3.960 0.370 0.000 0.218 457 G HA3 -0.237 3.944 3.960 0.370 0.000 0.218 457 G C 1.718 175.825 174.900 -1.322 0.000 1.154 457 G CA 1.049 44.691 45.100 -2.431 0.000 0.767 457 G HN 0.629 nan 8.290 nan 0.000 0.552 458 A N 0.662 123.119 122.820 -0.605 0.000 2.015 458 A HA 0.441 4.983 4.320 0.370 0.000 0.219 458 A C 2.515 180.065 177.584 -0.057 0.000 1.163 458 A CA 1.835 53.926 52.037 0.091 0.000 0.646 458 A CB -0.331 18.820 19.000 0.253 0.000 0.806 458 A HN 0.780 nan 8.150 nan 0.000 0.448 459 A N -1.099 121.492 122.820 -0.381 0.000 2.275 459 A HA 0.438 4.980 4.320 0.370 0.000 0.212 459 A C 0.933 178.388 177.584 -0.215 0.000 1.201 459 A CA -0.326 51.517 52.037 -0.323 0.000 0.843 459 A CB -0.509 18.103 19.000 -0.647 0.000 0.873 459 A HN 0.502 nan 8.150 nan 0.000 0.492 460 M N 1.162 120.627 119.600 -0.226 0.000 2.290 460 M HA 0.064 4.765 4.480 0.370 0.000 0.356 460 M C 0.185 176.376 176.300 -0.182 0.000 1.448 460 M CA 1.037 56.249 55.300 -0.146 0.000 0.993 460 M CB 0.171 32.688 32.600 -0.139 0.000 1.934 460 M HN 0.310 nan 8.290 nan 0.000 0.461 461 R N 1.363 121.747 120.500 -0.193 0.000 2.854 461 R HA 0.747 5.309 4.340 0.370 0.000 0.271 461 R C -1.131 175.063 176.300 -0.178 0.000 0.994 461 R CA -0.833 55.084 56.100 -0.304 0.000 0.945 461 R CB 2.421 32.448 30.300 -0.456 0.000 1.194 461 R HN 0.633 nan 8.270 nan 0.000 0.476 462 S N 0.508 116.094 115.700 -0.191 0.000 2.537 462 S HA 0.441 5.133 4.470 0.370 0.000 0.270 462 S C -1.648 172.856 174.600 -0.160 0.000 1.142 462 S CA -0.433 57.670 58.200 -0.162 0.000 0.870 462 S CB 1.165 64.277 63.200 -0.148 0.000 1.112 462 S HN 0.701 nan 8.310 nan 0.000 0.466 475 I N 6.170 126.685 120.570 -0.091 0.000 2.330 475 I HA 0.606 4.998 4.170 0.370 0.000 0.289 475 I C 0.254 176.268 176.117 -0.172 0.000 1.001 475 I CA -0.256 60.963 61.300 -0.134 0.000 1.193 475 I CB 1.381 39.294 38.000 -0.145 0.000 1.345 475 I HN 0.736 nan 8.210 nan 0.000 0.461 476 M N 4.410 123.903 119.600 -0.179 0.000 2.664 476 M HA 0.565 5.267 4.480 0.370 0.000 0.314 476 M C -0.784 175.343 176.300 -0.287 0.000 1.200 476 M CA -0.759 54.434 55.300 -0.177 0.000 0.916 476 M CB 1.758 34.308 32.600 -0.084 0.000 1.717 476 M HN 0.343 nan 8.290 nan 0.000 0.470 477 H N 1.170 120.062 119.070 -0.296 0.000 2.683 477 H HA 0.233 5.010 4.556 0.368 0.000 0.339 477 H C -1.101 174.079 175.328 -0.248 0.000 1.081 477 H CA 0.549 56.338 56.048 -0.432 0.000 1.432 477 H CB 1.070 30.203 29.762 -1.047 0.000 1.462 477 H HN 0.631 nan 8.280 nan 0.000 0.557 478 D N 4.110 124.452 120.400 -0.096 0.000 2.714 478 D HA 0.147 5.008 4.640 0.370 0.000 0.264 478 D C -2.731 173.558 176.300 -0.018 0.000 1.231 478 D CA -1.639 52.334 54.000 -0.045 0.000 0.802 478 D CB 0.957 41.736 40.800 -0.036 0.000 1.319 478 D HN 0.253 nan 8.370 nan 0.000 0.528 479 P HA 0.047 nan 4.420 nan 0.000 0.263 479 P C 0.260 177.727 177.300 0.278 0.000 1.195 479 P CA -0.032 63.128 63.100 0.100 0.000 0.762 479 P CB 0.103 31.852 31.700 0.082 0.000 0.799 480 F N 1.476 121.376 119.950 -0.083 0.000 2.973 480 F HA -0.298 4.451 4.527 0.369 0.000 0.299 480 F C 1.432 177.321 175.800 0.150 0.000 0.737 480 F CA 1.093 59.106 58.000 0.021 0.000 1.151 480 F CB -2.636 36.485 39.000 0.203 0.000 1.440 480 F HN 0.582 nan 8.300 nan 0.000 0.367 481 A N -1.436 121.512 122.820 0.213 0.000 2.826 481 A HA -0.290 4.252 4.320 0.370 0.000 0.274 481 A C 1.310 179.074 177.584 0.301 0.000 1.443 481 A CA 1.649 53.839 52.037 0.254 0.000 0.833 481 A CB -1.420 17.743 19.000 0.272 0.000 1.023 481 A HN 0.436 nan 8.150 nan 0.000 0.600 482 M N -1.581 118.017 119.600 -0.003 0.000 2.346 482 M HA 0.148 4.849 4.480 0.370 0.000 0.280 482 M C 1.605 177.359 176.300 -0.910 0.000 1.075 482 M CA 0.432 55.477 55.300 -0.425 0.000 0.989 482 M CB -0.341 31.712 32.600 -0.912 0.000 1.447 482 M HN 0.644 nan 8.290 nan 0.000 0.511 483 R N 1.944 122.172 120.500 -0.452 0.000 2.096 483 R HA -0.146 4.416 4.340 0.370 0.000 0.240 483 R C -1.055 175.020 176.300 -0.376 0.000 1.139 483 R CA 1.842 57.776 56.100 -0.276 0.000 0.952 483 R CB -0.927 29.305 30.300 -0.113 0.000 0.854 483 R HN 0.164 nan 8.270 nan 0.000 0.436 484 P HA 0.017 nan 4.420 nan 0.000 0.245 484 P C -0.142 176.628 177.300 -0.884 0.000 1.212 484 P CA 0.862 63.463 63.100 -0.832 0.000 0.774 484 P CB 0.110 31.108 31.700 -1.170 0.000 0.999 485 F N -3.186 116.574 119.950 -0.316 0.000 2.817 485 F HA 0.308 5.064 4.527 0.382 0.000 0.333 485 F C 0.642 176.256 175.800 -0.310 0.000 1.085 485 F CA -0.997 56.820 58.000 -0.305 0.000 1.170 485 F CB -0.618 38.193 39.000 -0.315 0.000 1.066 485 F HN -0.319 nan 8.300 nan 0.000 0.564 486 F N 1.137 121.036 119.950 -0.085 0.000 2.590 486 F HA 0.281 5.037 4.527 0.383 0.000 0.389 486 F C 1.693 177.426 175.800 -0.111 0.000 1.049 486 F CA -0.032 57.850 58.000 -0.197 0.000 1.199 486 F CB 0.216 39.026 39.000 -0.317 0.000 1.058 486 F HN 0.101 nan 8.300 nan 0.000 0.556 487 G N 3.072 111.960 108.800 0.146 0.000 2.813 487 G HA2 0.104 4.286 3.960 0.370 0.000 0.209 487 G HA3 0.104 4.286 3.960 0.370 0.000 0.209 487 G C -0.392 174.685 174.900 0.295 0.000 1.150 487 G CA 0.593 45.806 45.100 0.188 0.000 0.785 487 G HN 0.697 nan 8.290 nan 0.000 0.535 488 Y N -3.082 117.285 120.300 0.112 0.000 2.788 488 Y HA 0.461 5.224 4.550 0.355 0.000 0.335 488 Y C -0.612 175.317 175.900 0.049 0.000 1.287 488 Y CA -2.211 55.929 58.100 0.067 0.000 1.068 488 Y CB 0.098 38.577 38.460 0.032 0.000 1.340 488 Y HN -0.165 nan 8.280 nan 0.000 0.449 489 N N 1.733 120.498 118.700 0.110 0.000 2.236 489 N HA -0.146 4.815 4.740 0.370 0.000 0.274 489 N C 0.545 175.935 175.510 -0.199 0.000 1.339 489 N CA 0.537 53.574 53.050 -0.022 0.000 0.845 489 N CB 0.064 38.587 38.487 0.062 0.000 1.091 489 N HN 0.789 nan 8.380 nan 0.000 0.489 490 F N 4.645 124.287 119.950 -0.512 0.000 2.171 490 F HA 0.011 4.758 4.527 0.367 0.000 0.300 490 F C 2.013 177.638 175.800 -0.292 0.000 1.090 490 F CA 1.856 59.409 58.000 -0.745 0.000 1.293 490 F CB -0.642 37.748 39.000 -1.016 0.000 1.013 490 F HN 0.540 nan 8.300 nan 0.000 0.486 491 G N 0.800 109.369 108.800 -0.385 0.000 2.440 491 G HA2 -0.257 3.925 3.960 0.370 0.000 0.218 491 G HA3 -0.257 3.925 3.960 0.370 0.000 0.218 491 G C 1.782 176.590 174.900 -0.153 0.000 1.154 491 G CA 0.768 45.667 45.100 -0.334 0.000 0.767 491 G HN 0.230 nan 8.290 nan 0.000 0.552 492 K N -0.198 120.197 120.400 -0.009 0.000 2.148 492 K HA -0.051 4.490 4.320 0.370 0.000 0.204 492 K C 2.049 178.832 176.600 0.305 0.000 1.050 492 K CA 0.774 57.155 56.287 0.158 0.000 0.942 492 K CB -0.579 32.074 32.500 0.255 0.000 0.724 492 K HN 0.533 nan 8.250 nan 0.000 0.446 493 Y N 1.844 122.187 120.300 0.072 0.000 2.181 493 Y HA -0.167 4.604 4.550 0.369 0.000 0.288 493 Y C 2.009 177.990 175.900 0.134 0.000 1.146 493 Y CA 1.316 59.482 58.100 0.110 0.000 1.164 493 Y CB -0.305 38.019 38.460 -0.226 0.000 0.982 493 Y HN -0.107 nan 8.280 nan 0.000 0.515 494 L N -0.124 121.052 121.223 -0.079 0.000 2.046 494 L HA -0.234 4.328 4.340 0.370 0.000 0.208 494 L C 2.829 179.730 176.870 0.052 0.000 1.077 494 L CA 1.221 55.977 54.840 -0.139 0.000 0.747 494 L CB -1.009 40.859 42.059 -0.317 0.000 0.896 494 L HN 0.376 nan 8.230 nan 0.000 0.432 495 A N -0.737 122.127 122.820 0.073 0.000 1.933 495 A HA -0.299 4.242 4.320 0.370 0.000 0.218 495 A C 2.096 179.800 177.584 0.201 0.000 1.175 495 A CA 1.954 54.071 52.037 0.134 0.000 0.628 495 A CB -0.795 18.267 19.000 0.104 0.000 0.814 495 A HN 0.507 nan 8.150 nan 0.000 0.444 496 H N -2.123 117.013 119.070 0.110 0.000 2.321 496 H HA -0.179 4.599 4.556 0.370 0.000 0.300 496 H C 1.755 177.149 175.328 0.111 0.000 1.087 496 H CA 2.112 58.210 56.048 0.083 0.000 1.319 496 H CB -0.375 29.429 29.762 0.071 0.000 1.379 496 H HN 0.626 nan 8.280 nan 0.000 0.501 497 W N 0.542 121.795 121.300 -0.078 0.000 2.335 497 W HA -0.134 4.741 4.660 0.357 0.000 0.311 497 W C 2.465 179.178 176.519 0.322 0.000 1.213 497 W CA 1.436 58.805 57.345 0.040 0.000 1.274 497 W CB -0.503 28.893 29.460 -0.107 0.000 1.148 497 W HN 0.195 nan 8.180 nan 0.000 0.498 498 L N 0.104 121.608 121.223 0.468 0.000 2.083 498 L HA -0.248 4.314 4.340 0.370 0.000 0.209 498 L C 2.668 179.776 176.870 0.396 0.000 1.083 498 L CA 1.685 56.811 54.840 0.476 0.000 0.752 498 L CB -1.245 41.005 42.059 0.319 0.000 0.899 498 L HN 0.024 nan 8.230 nan 0.000 0.433 499 S N -0.513 115.341 115.700 0.257 0.000 2.442 499 S HA -0.198 4.494 4.470 0.370 0.000 0.236 499 S C 1.896 176.526 174.600 0.050 0.000 1.007 499 S CA 0.968 59.282 58.200 0.190 0.000 0.965 499 S CB -0.414 62.847 63.200 0.102 0.000 0.773 499 S HN 0.360 nan 8.310 nan 0.000 0.504 500 M N 1.431 121.018 119.600 -0.021 0.000 2.279 500 M HA 0.050 4.752 4.480 0.370 0.000 0.264 500 M C 2.530 178.511 176.300 -0.532 0.000 1.062 500 M CA 1.357 56.495 55.300 -0.270 0.000 1.099 500 M CB -0.551 31.943 32.600 -0.177 0.000 1.394 500 M HN 0.543 nan 8.290 nan 0.000 0.426 501 A N -0.860 121.670 122.820 -0.483 0.000 2.121 501 A HA -0.121 4.420 4.320 0.370 0.000 0.218 501 A C 1.462 178.708 177.584 -0.565 0.000 1.154 501 A CA 1.109 52.773 52.037 -0.620 0.000 0.679 501 A CB -0.745 17.976 19.000 -0.465 0.000 0.795 501 A HN 0.519 nan 8.150 nan 0.000 0.458 502 H N -1.303 117.662 119.070 -0.175 0.000 2.520 502 H HA 0.196 4.973 4.556 0.369 0.000 0.284 502 H C 0.473 175.707 175.328 -0.158 0.000 1.037 502 H CA -0.181 55.790 56.048 -0.128 0.000 1.168 502 H CB 0.075 29.798 29.762 -0.065 0.000 1.497 502 H HN 0.381 nan 8.280 nan 0.000 0.547 503 R N 2.245 122.637 120.500 -0.181 0.000 2.490 503 R HA 0.176 4.738 4.340 0.370 0.000 0.278 503 R C -2.430 173.746 176.300 -0.206 0.000 1.069 503 R CA -1.575 54.401 56.100 -0.207 0.000 1.080 503 R CB 0.439 30.529 30.300 -0.350 0.000 1.030 503 R HN -0.043 nan 8.270 nan 0.000 0.491 504 P HA -0.000 nan 4.420 nan 0.000 0.261 504 P C -0.550 176.672 177.300 -0.130 0.000 1.203 504 P CA 0.740 63.776 63.100 -0.107 0.000 0.767 504 P CB 0.858 32.518 31.700 -0.066 0.000 0.785 505 A N 2.988 125.732 122.820 -0.126 0.000 2.861 505 A HA -0.142 4.399 4.320 0.370 0.000 0.261 505 A C 0.926 178.415 177.584 -0.159 0.000 1.351 505 A CA 0.675 52.644 52.037 -0.113 0.000 0.904 505 A CB -2.253 16.708 19.000 -0.065 0.000 1.076 505 A HN 0.761 nan 8.150 nan 0.000 0.729 506 A N -0.074 122.569 122.820 -0.296 0.000 2.548 506 A HA 0.425 4.967 4.320 0.370 0.000 0.247 506 A C 0.551 177.949 177.584 -0.311 0.000 1.067 506 A CA 0.920 52.653 52.037 -0.508 0.000 0.757 506 A CB -0.047 18.365 19.000 -0.980 0.000 0.996 506 A HN 0.535 nan 8.150 nan 0.000 0.504 507 K N 3.341 123.685 120.400 -0.094 0.000 2.244 507 K HA 0.337 4.878 4.320 0.370 0.000 0.263 507 K C -0.978 175.682 176.600 0.100 0.000 1.103 507 K CA 0.049 56.343 56.287 0.012 0.000 0.966 507 K CB 0.591 33.135 32.500 0.073 0.000 1.429 507 K HN 0.644 nan 8.250 nan 0.000 0.434 508 L N 4.993 126.171 121.223 -0.075 0.000 2.418 508 L HA 0.170 4.732 4.340 0.370 0.000 0.274 508 L C -1.901 175.054 176.870 0.141 0.000 1.135 508 L CA -1.955 52.826 54.840 -0.098 0.000 0.870 508 L CB -0.251 41.579 42.059 -0.382 0.000 1.154 508 L HN 0.264 nan 8.230 nan 0.000 0.462 509 P HA 0.050 nan 4.420 nan 0.000 0.269 509 P C -0.538 176.938 177.300 0.293 0.000 1.215 509 P CA -0.434 62.829 63.100 0.271 0.000 0.780 509 P CB 0.545 32.428 31.700 0.305 0.000 0.898 510 K N 1.975 122.465 120.400 0.150 0.000 2.382 510 K HA 0.261 4.803 4.320 0.370 0.000 0.275 510 K C -0.435 176.106 176.600 -0.099 0.000 1.009 510 K CA -0.040 56.236 56.287 -0.018 0.000 0.970 510 K CB 0.015 32.435 32.500 -0.134 0.000 0.934 510 K HN 0.374 nan 8.250 nan 0.000 0.479 511 I N 4.934 125.363 120.570 -0.236 0.000 2.406 511 I HA 0.312 4.704 4.170 0.370 0.000 0.290 511 I C -0.852 175.028 176.117 -0.396 0.000 0.999 511 I CA -0.739 60.452 61.300 -0.181 0.000 1.124 511 I CB 0.953 38.951 38.000 -0.003 0.000 1.289 511 I HN 0.471 nan 8.210 nan 0.000 0.441 512 F N 3.911 123.871 119.950 0.017 0.000 2.579 512 F HA 0.506 5.253 4.527 0.368 0.000 0.324 512 F C 0.108 175.868 175.800 -0.067 0.000 1.058 512 F CA -0.696 57.314 58.000 0.017 0.000 0.944 512 F CB 1.480 40.521 39.000 0.067 0.000 1.245 512 F HN 0.375 nan 8.300 nan 0.000 0.477 513 H N 1.567 120.531 119.070 -0.178 0.000 2.589 513 H HA 0.659 5.436 4.556 0.369 0.000 0.351 513 H C -1.562 173.565 175.328 -0.335 0.000 1.074 513 H CA -0.626 55.210 56.048 -0.352 0.000 1.203 513 H CB 1.862 31.153 29.762 -0.785 0.000 1.558 513 H HN 0.578 nan 8.280 nan 0.000 0.522 514 V N 2.600 122.149 119.914 -0.608 0.000 2.919 514 V HA 0.529 4.871 4.120 0.370 0.000 0.316 514 V C -0.415 175.227 176.094 -0.753 0.000 1.077 514 V CA -1.051 60.844 62.300 -0.676 0.000 0.977 514 V CB 2.042 33.205 31.823 -1.099 0.000 1.039 514 V HN 0.887 nan 8.190 nan 0.000 0.441 515 N N 1.527 119.858 118.700 -0.615 0.000 2.581 515 N HA 0.333 5.294 4.740 0.370 0.000 0.279 515 N C -0.335 175.007 175.510 -0.279 0.000 1.124 515 N CA -0.552 52.271 53.050 -0.379 0.000 0.833 515 N CB 1.237 39.668 38.487 -0.093 0.000 1.338 515 N HN 0.932 nan 8.380 nan 0.000 0.533 516 W N 2.076 123.148 121.300 -0.380 0.000 2.800 516 W HA 0.120 5.001 4.660 0.368 0.000 0.249 516 W C 0.352 176.445 176.519 -0.710 0.000 1.294 516 W CA -0.294 56.640 57.345 -0.686 0.000 1.402 516 W CB 0.192 28.927 29.460 -1.208 0.000 1.126 516 W HN 0.484 nan 8.180 nan 0.000 0.652 517 F N -0.030 119.934 119.950 0.023 0.000 2.654 517 F HA 0.271 5.019 4.527 0.369 0.000 0.303 517 F C 1.262 177.233 175.800 0.284 0.000 1.099 517 F CA -0.621 57.464 58.000 0.142 0.000 1.270 517 F CB -0.289 38.772 39.000 0.102 0.000 1.024 517 F HN -0.396 nan 8.300 nan 0.000 0.548 518 R N 2.329 122.986 120.500 0.261 0.000 2.522 518 R HA 0.172 4.734 4.340 0.370 0.000 0.284 518 R C -0.372 176.044 176.300 0.193 0.000 1.032 518 R CA 0.375 56.566 56.100 0.152 0.000 1.049 518 R CB 0.458 30.768 30.300 0.016 0.000 0.956 518 R HN 0.140 nan 8.270 nan 0.000 0.422 519 K N 2.472 122.927 120.400 0.092 0.000 2.267 519 K HA 0.182 4.724 4.320 0.370 0.000 0.246 519 K C -0.688 175.907 176.600 -0.007 0.000 0.954 519 K CA -1.026 55.273 56.287 0.020 0.000 0.824 519 K CB 1.374 33.828 32.500 -0.077 0.000 1.167 519 K HN 0.645 nan 8.250 nan 0.000 0.431 520 D N 0.240 120.632 120.400 -0.015 0.000 2.447 520 D HA -0.022 4.839 4.640 0.370 0.000 0.265 520 D C 0.741 177.024 176.300 -0.028 0.000 1.250 520 D CA -0.418 53.573 54.000 -0.015 0.000 1.046 520 D CB 0.461 41.260 40.800 -0.003 0.000 1.095 520 D HN 0.525 nan 8.370 nan 0.000 0.555 521 K N -0.865 119.523 120.400 -0.020 0.000 2.442 521 K HA -0.091 4.450 4.320 0.370 0.000 0.198 521 K C 0.431 177.015 176.600 -0.026 0.000 1.044 521 K CA 0.870 57.144 56.287 -0.021 0.000 0.948 521 K CB -0.303 32.189 32.500 -0.012 0.000 0.762 521 K HN 0.188 nan 8.250 nan 0.000 0.472 522 N N 0.361 119.042 118.700 -0.032 0.000 2.280 522 N HA 0.051 5.013 4.740 0.370 0.000 0.192 522 N C 0.656 176.131 175.510 -0.060 0.000 1.109 522 N CA 0.889 53.917 53.050 -0.037 0.000 0.855 522 N CB 1.214 39.684 38.487 -0.029 0.000 0.974 522 N HN 0.527 nan 8.380 nan 0.000 0.482 523 G N 1.692 110.444 108.800 -0.079 0.000 2.141 523 G HA2 -0.285 3.897 3.960 0.370 0.000 0.242 523 G HA3 -0.285 3.897 3.960 0.370 0.000 0.242 523 G C -0.010 174.760 174.900 -0.217 0.000 0.982 523 G CA 0.439 45.461 45.100 -0.130 0.000 0.662 523 G HN 0.539 nan 8.290 nan 0.000 0.527 524 K N -0.174 120.126 120.400 -0.166 0.000 2.123 524 K HA 0.728 5.270 4.320 0.370 0.000 0.259 524 K C -0.005 176.509 176.600 -0.143 0.000 0.960 524 K CA -1.146 55.024 56.287 -0.195 0.000 0.872 524 K CB 1.029 33.485 32.500 -0.073 0.000 1.079 524 K HN -0.032 nan 8.250 nan 0.000 0.440 525 F N 2.972 122.943 119.950 0.034 0.000 2.578 525 F HA 0.019 4.768 4.527 0.370 0.000 0.381 525 F C 1.248 177.069 175.800 0.035 0.000 1.069 525 F CA -0.432 57.590 58.000 0.036 0.000 1.231 525 F CB 0.408 39.420 39.000 0.021 0.000 1.086 525 F HN 0.447 nan 8.300 nan 0.000 0.564 526 L N 3.695 125.070 121.223 0.252 0.000 2.291 526 L HA -0.082 4.480 4.340 0.370 0.000 0.214 526 L C 0.377 177.400 176.870 0.255 0.000 1.120 526 L CA 0.691 55.642 54.840 0.185 0.000 0.799 526 L CB 0.007 42.144 42.059 0.131 0.000 0.925 526 L HN 0.592 nan 8.230 nan 0.000 0.446 527 W N 1.410 122.716 121.300 0.009 0.000 2.600 527 W HA 0.261 5.142 4.660 0.368 0.000 0.325 527 W C -1.939 174.506 176.519 -0.124 0.000 1.034 527 W CA -1.771 55.528 57.345 -0.076 0.000 1.226 527 W CB 2.000 31.386 29.460 -0.124 0.000 1.379 527 W HN -0.176 nan 8.180 nan 0.000 0.466 528 P HA -0.007 nan 4.420 nan 0.000 0.221 528 P C 1.014 177.982 177.300 -0.553 0.000 1.150 528 P CA 1.722 64.517 63.100 -0.509 0.000 0.800 528 P CB 0.532 31.907 31.700 -0.541 0.000 0.787 529 G N -0.299 107.930 108.800 -0.951 0.000 2.601 529 G HA2 -0.275 3.907 3.960 0.370 0.000 0.261 529 G HA3 -0.275 3.907 3.960 0.370 0.000 0.261 529 G C 0.095 174.645 174.900 -0.583 0.000 1.289 529 G CA -0.029 44.591 45.100 -0.801 0.000 0.920 529 G HN 0.174 nan 8.290 nan 0.000 0.571 530 F N -2.112 117.499 119.950 -0.565 0.000 2.756 530 F HA -0.295 4.453 4.527 0.368 0.000 0.240 530 F C 2.735 178.330 175.800 -0.343 0.000 1.487 530 F CA 2.796 60.556 58.000 -0.399 0.000 1.859 530 F CB -1.758 37.068 39.000 -0.290 0.000 1.319 530 F HN 1.668 nan 8.300 nan 0.000 0.230 531 G N -0.238 108.550 108.800 -0.021 0.000 2.485 531 G HA2 -0.196 3.986 3.960 0.370 0.000 0.221 531 G HA3 -0.196 3.986 3.960 0.370 0.000 0.221 531 G C 1.120 175.930 174.900 -0.150 0.000 1.115 531 G CA 1.288 46.333 45.100 -0.091 0.000 0.751 531 G HN 0.584 nan 8.290 nan 0.000 0.567 532 E N 1.068 121.137 120.200 -0.217 0.000 2.478 532 E HA -0.035 4.536 4.350 0.370 0.000 0.198 532 E C 1.643 178.175 176.600 -0.114 0.000 1.046 532 E CA 0.126 56.373 56.400 -0.255 0.000 0.870 532 E CB -0.187 29.207 29.700 -0.509 0.000 0.818 532 E HN 0.352 nan 8.360 nan 0.000 0.527 533 N N 0.945 119.525 118.700 -0.200 0.000 2.550 533 N HA -0.086 4.875 4.740 0.370 0.000 0.186 533 N C 1.654 177.087 175.510 -0.129 0.000 1.110 533 N CA 0.745 53.660 53.050 -0.226 0.000 0.912 533 N CB -0.129 37.904 38.487 -0.756 0.000 0.968 533 N HN 0.166 nan 8.380 nan 0.000 0.448 534 S N 0.613 116.224 115.700 -0.147 0.000 2.419 534 S HA -0.069 4.622 4.470 0.370 0.000 0.233 534 S C 1.818 176.233 174.600 -0.309 0.000 1.016 534 S CA 0.507 58.571 58.200 -0.227 0.000 0.974 534 S CB -0.122 62.934 63.200 -0.241 0.000 0.786 534 S HN 0.274 nan 8.310 nan 0.000 0.492 535 R N 0.634 121.053 120.500 -0.136 0.000 2.092 535 R HA 0.083 4.644 4.340 0.370 0.000 0.231 535 R C 2.228 178.525 176.300 -0.005 0.000 1.119 535 R CA 1.238 57.301 56.100 -0.061 0.000 0.970 535 R CB -0.666 29.719 30.300 0.142 0.000 0.864 535 R HN 0.339 nan 8.270 nan 0.000 0.440 536 V N 1.465 121.400 119.914 0.036 0.000 2.323 536 V HA -0.180 4.162 4.120 0.370 0.000 0.244 536 V C 2.242 178.376 176.094 0.066 0.000 1.041 536 V CA 1.540 63.883 62.300 0.072 0.000 1.025 536 V CB -0.395 31.504 31.823 0.128 0.000 0.656 536 V HN 0.268 nan 8.190 nan 0.000 0.451 537 L N 0.077 121.287 121.223 -0.021 0.000 2.131 537 L HA -0.213 4.349 4.340 0.370 0.000 0.210 537 L C 2.562 179.371 176.870 -0.101 0.000 1.092 537 L CA 1.928 56.736 54.840 -0.055 0.000 0.759 537 L CB -0.609 41.421 42.059 -0.048 0.000 0.903 537 L HN 0.487 nan 8.230 nan 0.000 0.435 538 E N -0.014 119.997 120.200 -0.316 0.000 2.051 538 E HA -0.292 4.280 4.350 0.370 0.000 0.192 538 E C 2.135 178.791 176.600 0.094 0.000 0.991 538 E CA 1.607 57.792 56.400 -0.360 0.000 0.799 538 E CB -0.261 29.104 29.700 -0.559 0.000 0.748 538 E HN 0.471 nan 8.360 nan 0.000 0.449 539 W N 0.998 122.264 121.300 -0.056 0.000 2.358 539 W HA -0.152 4.729 4.660 0.368 0.000 0.303 539 W C 2.087 178.621 176.519 0.025 0.000 1.208 539 W CA 1.849 59.202 57.345 0.013 0.000 1.274 539 W CB -0.178 29.280 29.460 -0.004 0.000 1.138 539 W HN 0.076 nan 8.180 nan 0.000 0.515 540 M N -0.946 118.591 119.600 -0.106 0.000 2.080 540 M HA -0.194 4.508 4.480 0.370 0.000 0.260 540 M C 2.165 178.388 176.300 -0.129 0.000 1.068 540 M CA 1.887 56.887 55.300 -0.499 0.000 1.109 540 M CB -1.095 31.029 32.600 -0.792 0.000 1.342 540 M HN 0.036 nan 8.290 nan 0.000 0.405 541 F N 1.015 120.919 119.950 -0.078 0.000 2.065 541 F HA -0.159 4.589 4.527 0.369 0.000 0.298 541 F C 2.303 178.121 175.800 0.029 0.000 1.112 541 F CA 1.992 60.031 58.000 0.064 0.000 1.212 541 F CB -0.917 38.240 39.000 0.262 0.000 0.975 541 F HN 0.105 nan 8.300 nan 0.000 0.476 542 G N -0.002 108.974 108.800 0.293 0.000 2.440 542 G HA2 -0.243 3.938 3.960 0.370 0.000 0.218 542 G HA3 -0.243 3.938 3.960 0.370 0.000 0.218 542 G C 1.903 176.771 174.900 -0.053 0.000 1.154 542 G CA 0.551 45.732 45.100 0.135 0.000 0.767 542 G HN 0.191 nan 8.290 nan 0.000 0.552 543 R N 0.004 120.367 120.500 -0.228 0.000 2.096 543 R HA 0.061 4.623 4.340 0.370 0.000 0.235 543 R C 2.625 178.869 176.300 -0.093 0.000 1.127 543 R CA 0.726 56.675 56.100 -0.251 0.000 0.968 543 R CB -0.537 29.487 30.300 -0.459 0.000 0.861 543 R HN 0.452 nan 8.270 nan 0.000 0.440 544 I N 0.761 121.314 120.570 -0.028 0.000 2.286 544 I HA -0.232 4.160 4.170 0.370 0.000 0.248 544 I C 1.803 177.879 176.117 -0.068 0.000 1.115 544 I CA 1.326 62.605 61.300 -0.035 0.000 1.392 544 I CB -0.238 37.720 38.000 -0.069 0.000 1.065 544 I HN 0.164 nan 8.210 nan 0.000 0.418 545 E N 0.527 120.688 120.200 -0.066 0.000 2.478 545 E HA -0.042 4.529 4.350 0.370 0.000 0.198 545 E C 1.390 177.980 176.600 -0.017 0.000 1.046 545 E CA 0.585 56.969 56.400 -0.027 0.000 0.870 545 E CB 0.036 29.764 29.700 0.046 0.000 0.818 545 E HN 0.638 nan 8.360 nan 0.000 0.527 546 G N 2.152 110.928 108.800 -0.039 0.000 2.132 546 G HA2 -0.280 3.902 3.960 0.370 0.000 0.234 546 G HA3 -0.280 3.902 3.960 0.370 0.000 0.234 546 G C -0.040 174.836 174.900 -0.041 0.000 0.989 546 G CA 0.120 45.193 45.100 -0.046 0.000 0.676 546 G HN 0.250 nan 8.290 nan 0.000 0.522 547 E N 0.456 120.634 120.200 -0.037 0.000 2.413 547 E HA 0.363 4.935 4.350 0.370 0.000 0.263 547 E C 0.333 176.915 176.600 -0.030 0.000 1.015 547 E CA -0.096 56.295 56.400 -0.015 0.000 0.916 547 E CB 0.487 30.191 29.700 0.007 0.000 0.947 547 E HN 0.175 nan 8.360 nan 0.000 0.440 548 D N 1.921 122.323 120.400 0.003 0.000 2.688 548 D HA 0.040 4.902 4.640 0.370 0.000 0.228 548 D C -0.241 176.094 176.300 0.059 0.000 1.116 548 D CA 0.109 54.117 54.000 0.013 0.000 1.023 548 D CB -0.371 40.442 40.800 0.022 0.000 1.100 548 D HN 0.289 nan 8.370 nan 0.000 0.487 549 S N -0.282 115.467 115.700 0.083 0.000 2.650 549 S HA 0.529 5.221 4.470 0.370 0.000 0.240 549 S C 0.501 175.339 174.600 0.397 0.000 1.007 549 S CA -0.590 57.743 58.200 0.221 0.000 0.984 549 S CB 0.669 64.022 63.200 0.254 0.000 0.910 549 S HN 0.270 nan 8.310 nan 0.000 0.509 550 A N 1.525 124.507 122.820 0.270 0.000 2.340 550 A HA 0.771 5.313 4.320 0.370 0.000 0.331 550 A C -0.447 177.317 177.584 0.301 0.000 1.140 550 A CA -0.778 51.489 52.037 0.383 0.000 0.801 550 A CB 1.356 20.507 19.000 0.251 0.000 1.234 550 A HN 0.366 nan 8.150 nan 0.000 0.469 551 K N 2.528 123.124 120.400 0.327 0.000 2.292 551 K HA 0.527 5.069 4.320 0.370 0.000 0.257 551 K C -1.245 175.525 176.600 0.283 0.000 0.940 551 K CA -0.539 55.891 56.287 0.238 0.000 0.811 551 K CB 1.153 33.713 32.500 0.100 0.000 1.120 551 K HN 0.738 nan 8.250 nan 0.000 0.428 552 L N 4.495 125.840 121.223 0.202 0.000 2.360 552 L HA 0.194 4.756 4.340 0.370 0.000 0.276 552 L C 0.067 176.886 176.870 -0.084 0.000 1.121 552 L CA 0.304 55.116 54.840 -0.045 0.000 0.845 552 L CB 0.926 42.936 42.059 -0.082 0.000 1.143 552 L HN 0.922 nan 8.230 nan 0.000 0.452 553 T N 0.692 115.151 114.554 -0.157 0.000 2.907 553 T HA 0.475 5.047 4.350 0.370 0.000 0.290 553 T C -2.125 172.429 174.700 -0.243 0.000 1.066 553 T CA -1.648 60.354 62.100 -0.164 0.000 1.012 553 T CB 1.757 70.539 68.868 -0.144 0.000 1.184 553 T HN 0.283 nan 8.240 nan 0.000 0.522 554 P HA 0.042 nan 4.420 nan 0.000 0.221 554 P C 1.388 178.452 177.300 -0.393 0.000 1.145 554 P CA 0.795 63.718 63.100 -0.297 0.000 0.795 554 P CB -0.256 31.279 31.700 -0.274 0.000 0.775 555 I N -6.220 114.047 120.570 -0.506 0.000 3.860 555 I HA 0.458 4.850 4.170 0.370 0.000 0.319 555 I C 0.828 176.776 176.117 -0.283 0.000 1.279 555 I CA 0.095 61.026 61.300 -0.614 0.000 1.220 555 I CB 0.046 37.310 38.000 -1.226 0.000 1.027 555 I HN -0.053 nan 8.210 nan 0.000 0.428 556 G N 0.479 109.162 108.800 -0.196 0.000 2.325 556 G HA2 0.011 4.192 3.960 0.370 0.000 0.285 556 G HA3 0.011 4.192 3.960 0.370 0.000 0.285 556 G C -1.497 173.385 174.900 -0.031 0.000 1.303 556 G CA -0.942 44.156 45.100 -0.004 0.000 0.970 556 G HN 0.149 nan 8.290 nan 0.000 0.490 557 Y N 0.065 120.527 120.300 0.270 0.000 2.319 557 Y HA 0.461 5.232 4.550 0.369 0.000 0.328 557 Y C 1.272 177.409 175.900 0.396 0.000 1.133 557 Y CA 0.322 58.602 58.100 0.300 0.000 1.265 557 Y CB 1.458 40.120 38.460 0.338 0.000 1.218 557 Y HN 0.705 nan 8.280 nan 0.000 0.508 558 V N 1.021 121.176 119.914 0.402 0.000 3.046 558 V HA 0.686 5.028 4.120 0.370 0.000 0.316 558 V C -2.926 173.126 176.094 -0.069 0.000 1.104 558 V CA -3.594 58.782 62.300 0.127 0.000 1.006 558 V CB 1.859 33.712 31.823 0.051 0.000 1.058 558 V HN 0.442 nan 8.190 nan 0.000 0.440 559 P HA 0.147 nan 4.420 nan 0.000 0.264 559 P C -0.342 176.771 177.300 -0.311 0.000 1.183 559 P CA 0.170 62.838 63.100 -0.720 0.000 0.763 559 P CB 0.237 31.175 31.700 -1.271 0.000 0.807 560 K N 1.770 122.150 120.400 -0.032 0.000 2.344 560 K HA -0.039 4.503 4.320 0.370 0.000 0.260 560 K C 0.624 177.153 176.600 -0.118 0.000 0.988 560 K CA -0.004 56.266 56.287 -0.027 0.000 0.909 560 K CB 0.211 32.749 32.500 0.063 0.000 0.968 560 K HN 0.502 nan 8.250 nan 0.000 0.505 561 E N 1.648 121.799 120.200 -0.082 0.000 2.480 561 E HA -0.199 4.373 4.350 0.370 0.000 0.258 561 E C -0.603 175.971 176.600 -0.043 0.000 0.984 561 E CA 0.305 56.660 56.400 -0.076 0.000 0.930 561 E CB 0.139 29.816 29.700 -0.038 0.000 0.936 561 E HN 0.499 nan 8.360 nan 0.000 0.466 562 D N 1.802 122.173 120.400 -0.048 0.000 2.946 562 D HA -0.284 4.578 4.640 0.370 0.000 0.202 562 D C 0.760 177.066 176.300 0.009 0.000 1.068 562 D CA 1.038 55.032 54.000 -0.010 0.000 1.011 562 D CB -1.231 39.574 40.800 0.010 0.000 1.105 562 D HN 0.527 nan 8.370 nan 0.000 0.425 563 A N -0.083 122.733 122.820 -0.006 0.000 1.929 563 A HA 0.034 4.576 4.320 0.370 0.000 0.216 563 A C 1.191 178.820 177.584 0.075 0.000 1.176 563 A CA 0.552 52.631 52.037 0.069 0.000 0.628 563 A CB 0.064 19.137 19.000 0.123 0.000 0.816 563 A HN 0.197 nan 8.150 nan 0.000 0.444 564 L N 1.256 122.457 121.223 -0.037 0.000 2.361 564 L HA 0.197 4.758 4.340 0.370 0.000 0.278 564 L C 0.126 177.027 176.870 0.052 0.000 1.113 564 L CA -0.306 54.528 54.840 -0.010 0.000 0.849 564 L CB 0.161 42.162 42.059 -0.097 0.000 1.155 564 L HN 0.308 nan 8.230 nan 0.000 0.452 565 N N 5.116 123.861 118.700 0.074 0.000 2.406 565 N HA 0.043 5.005 4.740 0.370 0.000 0.265 565 N C 0.055 175.615 175.510 0.083 0.000 1.203 565 N CA 0.337 53.428 53.050 0.068 0.000 0.945 565 N CB 0.320 38.838 38.487 0.052 0.000 1.165 565 N HN 0.668 nan 8.380 nan 0.000 0.485 566 L N 2.071 123.341 121.223 0.078 0.000 2.857 566 L HA 0.263 4.825 4.340 0.370 0.000 0.249 566 L C 0.341 177.233 176.870 0.036 0.000 1.172 566 L CA -0.296 54.595 54.840 0.084 0.000 0.980 566 L CB 0.000 42.124 42.059 0.108 0.000 1.299 566 L HN 0.186 nan 8.230 nan 0.000 0.535 567 K N 1.028 121.444 120.400 0.027 0.000 2.447 567 K HA 0.338 4.879 4.320 0.370 0.000 0.281 567 K C 1.140 177.736 176.600 -0.008 0.000 1.031 567 K CA 0.995 57.290 56.287 0.013 0.000 1.019 567 K CB 0.454 32.965 32.500 0.019 0.000 0.918 567 K HN 0.237 nan 8.250 nan 0.000 0.476 568 G N 2.208 110.998 108.800 -0.016 0.000 2.175 568 G HA2 -0.248 3.934 3.960 0.370 0.000 0.244 568 G HA3 -0.248 3.934 3.960 0.370 0.000 0.244 568 G C 0.483 175.349 174.900 -0.056 0.000 0.982 568 G CA -0.021 45.059 45.100 -0.033 0.000 0.641 568 G HN 0.555 nan 8.290 nan 0.000 0.527 569 L N 0.514 121.703 121.223 -0.057 0.000 2.607 569 L HA 0.429 4.991 4.340 0.370 0.000 0.228 569 L C 1.976 178.810 176.870 -0.060 0.000 1.123 569 L CA 0.755 55.539 54.840 -0.092 0.000 0.890 569 L CB -0.206 41.781 42.059 -0.121 0.000 1.103 569 L HN 0.986 nan 8.230 nan 0.000 0.468 570 G N 0.879 109.660 108.800 -0.031 0.000 2.528 570 G HA2 -0.340 3.842 3.960 0.370 0.000 0.262 570 G HA3 -0.340 3.842 3.960 0.370 0.000 0.262 570 G C -0.262 174.639 174.900 0.001 0.000 1.200 570 G CA 0.053 45.143 45.100 -0.016 0.000 0.951 570 G HN 0.269 nan 8.290 nan 0.000 0.566 571 D N 0.746 121.150 120.400 0.007 0.000 2.485 571 D HA 0.499 5.361 4.640 0.370 0.000 0.221 571 D C 0.542 176.865 176.300 0.037 0.000 1.112 571 D CA -0.213 53.802 54.000 0.024 0.000 0.911 571 D CB 0.580 41.392 40.800 0.021 0.000 1.019 571 D HN 0.429 nan 8.370 nan 0.000 0.516 572 V N 3.795 123.746 119.914 0.062 0.000 2.555 572 V HA 0.072 4.414 4.120 0.370 0.000 0.286 572 V C 1.038 177.202 176.094 0.116 0.000 1.044 572 V CA -0.701 61.662 62.300 0.105 0.000 1.026 572 V CB 1.041 32.975 31.823 0.185 0.000 0.981 572 V HN 0.438 nan 8.190 nan 0.000 0.480 573 N N 4.166 122.932 118.700 0.110 0.000 2.671 573 N HA 0.024 4.986 4.740 0.370 0.000 0.274 573 N C 0.955 176.542 175.510 0.128 0.000 1.188 573 N CA 0.015 53.123 53.050 0.097 0.000 1.065 573 N CB 0.801 39.332 38.487 0.072 0.000 1.415 573 N HN 0.582 nan 8.380 nan 0.000 0.511 574 V N 0.589 120.592 119.914 0.149 0.000 2.427 574 V HA -0.113 4.229 4.120 0.370 0.000 0.248 574 V C 1.730 177.952 176.094 0.213 0.000 1.051 574 V CA 1.272 63.705 62.300 0.222 0.000 1.048 574 V CB -0.549 31.384 31.823 0.182 0.000 0.666 574 V HN 0.424 nan 8.190 nan 0.000 0.456 575 E N 0.425 120.701 120.200 0.125 0.000 2.110 575 E HA -0.238 4.334 4.350 0.370 0.000 0.193 575 E C 2.255 178.909 176.600 0.089 0.000 0.988 575 E CA 1.562 58.022 56.400 0.100 0.000 0.804 575 E CB -0.045 29.692 29.700 0.062 0.000 0.745 575 E HN 0.817 nan 8.360 nan 0.000 0.458 576 E N 0.656 120.897 120.200 0.070 0.000 2.112 576 E HA -0.080 4.492 4.350 0.370 0.000 0.190 576 E C 2.144 178.750 176.600 0.010 0.000 0.979 576 E CA 0.167 56.588 56.400 0.036 0.000 0.814 576 E CB 0.144 29.861 29.700 0.029 0.000 0.762 576 E HN 0.170 nan 8.360 nan 0.000 0.460 577 L N -0.224 121.009 121.223 0.016 0.000 2.093 577 L HA -0.102 4.460 4.340 0.370 0.000 0.208 577 L C 1.104 177.790 176.870 -0.307 0.000 1.085 577 L CA 1.106 55.869 54.840 -0.129 0.000 0.755 577 L CB 0.036 42.026 42.059 -0.115 0.000 0.904 577 L HN 0.220 nan 8.230 nan 0.000 0.435 578 F N -0.667 119.265 119.950 -0.031 0.000 2.639 578 F HA 0.263 5.012 4.527 0.370 0.000 0.302 578 F C 1.418 177.208 175.800 -0.017 0.000 1.097 578 F CA -0.420 57.557 58.000 -0.038 0.000 1.294 578 F CB -0.014 38.945 39.000 -0.068 0.000 1.027 578 F HN -0.096 nan 8.300 nan 0.000 0.550 579 G N 1.611 110.473 108.800 0.103 0.000 2.340 579 G HA2 0.365 4.547 3.960 0.370 0.000 0.245 579 G HA3 0.365 4.547 3.960 0.370 0.000 0.245 579 G C -0.408 174.539 174.900 0.078 0.000 1.294 579 G CA -0.105 45.038 45.100 0.073 0.000 0.896 579 G HN 0.218 nan 8.290 nan 0.000 0.522 580 I N 1.692 122.318 120.570 0.092 0.000 2.410 580 I HA 0.245 4.637 4.170 0.370 0.000 0.286 580 I C 0.217 176.438 176.117 0.172 0.000 1.009 580 I CA -0.490 60.897 61.300 0.146 0.000 1.111 580 I CB 2.027 40.028 38.000 0.002 0.000 1.262 580 I HN 0.461 nan 8.210 nan 0.000 0.443 581 S N 5.793 121.672 115.700 0.298 0.000 2.437 581 S HA 0.271 4.962 4.470 0.370 0.000 0.305 581 S C 0.972 175.779 174.600 0.345 0.000 1.109 581 S CA -0.636 57.714 58.200 0.251 0.000 1.099 581 S CB 1.408 64.723 63.200 0.192 0.000 1.004 581 S HN 0.751 nan 8.310 nan 0.000 0.475 582 K N 2.968 123.494 120.400 0.209 0.000 2.032 582 K HA -0.136 4.406 4.320 0.370 0.000 0.209 582 K C 1.680 178.395 176.600 0.192 0.000 1.048 582 K CA 1.968 58.365 56.287 0.184 0.000 0.927 582 K CB -0.158 32.402 32.500 0.099 0.000 0.712 582 K HN 0.831 nan 8.250 nan 0.000 0.441 583 E N 0.214 120.507 120.200 0.154 0.000 2.106 583 E HA -0.219 4.353 4.350 0.370 0.000 0.192 583 E C 2.023 178.686 176.600 0.104 0.000 0.984 583 E CA 1.003 57.467 56.400 0.108 0.000 0.806 583 E CB -0.735 29.014 29.700 0.081 0.000 0.750 583 E HN 0.417 nan 8.360 nan 0.000 0.458 584 F N 0.507 120.463 119.950 0.011 0.000 2.113 584 F HA -0.100 4.648 4.527 0.368 0.000 0.297 584 F C 1.847 177.540 175.800 -0.179 0.000 1.103 584 F CA 1.415 59.347 58.000 -0.113 0.000 1.248 584 F CB -0.288 38.607 39.000 -0.176 0.000 0.999 584 F HN -0.085 nan 8.300 nan 0.000 0.475 585 W N 1.100 122.469 121.300 0.116 0.000 2.518 585 W HA -0.001 4.880 4.660 0.368 0.000 0.273 585 W C 2.352 178.832 176.519 -0.064 0.000 1.247 585 W CA 1.077 58.431 57.345 0.016 0.000 1.288 585 W CB -0.388 29.135 29.460 0.105 0.000 1.107 585 W HN 0.039 nan 8.180 nan 0.000 0.586 586 E N 0.447 120.729 120.200 0.138 0.000 2.058 586 E HA -0.281 4.291 4.350 0.370 0.000 0.194 586 E C 1.955 178.535 176.600 -0.033 0.000 0.997 586 E CA 1.444 57.877 56.400 0.054 0.000 0.801 586 E CB -0.156 29.568 29.700 0.041 0.000 0.746 586 E HN -0.006 nan 8.360 nan 0.000 0.450 587 K N 1.270 121.590 120.400 -0.134 0.000 2.097 587 K HA -0.193 4.349 4.320 0.370 0.000 0.205 587 K C 1.905 178.339 176.600 -0.277 0.000 1.050 587 K CA 1.431 57.593 56.287 -0.209 0.000 0.938 587 K CB -0.050 32.281 32.500 -0.281 0.000 0.718 587 K HN -0.086 nan 8.250 nan 0.000 0.442 588 E N 0.070 120.007 120.200 -0.439 0.000 2.038 588 E HA -0.148 4.424 4.350 0.370 0.000 0.195 588 E C 1.820 178.362 176.600 -0.098 0.000 1.000 588 E CA 1.928 58.067 56.400 -0.435 0.000 0.803 588 E CB -0.342 28.913 29.700 -0.741 0.000 0.750 588 E HN 0.185 nan 8.360 nan 0.000 0.448 589 V N -0.485 119.459 119.914 0.051 0.000 2.392 589 V HA -0.233 4.109 4.120 0.370 0.000 0.249 589 V C 2.277 178.421 176.094 0.084 0.000 1.059 589 V CA 2.266 64.648 62.300 0.138 0.000 1.051 589 V CB -0.922 30.994 31.823 0.156 0.000 0.658 589 V HN 0.199 nan 8.190 nan 0.000 0.455 590 E N 0.710 120.926 120.200 0.026 0.000 2.051 590 E HA -0.235 4.337 4.350 0.370 0.000 0.192 590 E C 2.344 178.962 176.600 0.030 0.000 0.991 590 E CA 1.702 58.113 56.400 0.018 0.000 0.799 590 E CB -0.437 29.256 29.700 -0.010 0.000 0.748 590 E HN 0.715 nan 8.360 nan 0.000 0.449 591 E N 0.128 120.332 120.200 0.008 0.000 2.106 591 E HA -0.141 4.431 4.350 0.370 0.000 0.192 591 E C 2.127 178.813 176.600 0.144 0.000 0.984 591 E CA 0.960 57.389 56.400 0.047 0.000 0.806 591 E CB -0.112 29.574 29.700 -0.024 0.000 0.750 591 E HN 0.409 nan 8.360 nan 0.000 0.458 592 I N 1.234 121.890 120.570 0.143 0.000 2.252 592 I HA -0.237 4.154 4.170 0.370 0.000 0.245 592 I C 2.435 178.666 176.117 0.190 0.000 1.102 592 I CA 1.148 62.575 61.300 0.211 0.000 1.385 592 I CB -0.269 37.851 38.000 0.200 0.000 1.064 592 I HN 0.060 nan 8.210 nan 0.000 0.414 593 D N 1.557 122.044 120.400 0.145 0.000 2.087 593 D HA -0.216 4.646 4.640 0.370 0.000 0.192 593 D C 2.115 178.456 176.300 0.069 0.000 0.993 593 D CA 1.664 55.726 54.000 0.103 0.000 0.828 593 D CB -0.006 40.836 40.800 0.070 0.000 0.968 593 D HN 0.179 nan 8.370 nan 0.000 0.448 594 K N -0.954 119.484 120.400 0.064 0.000 2.103 594 K HA -0.211 4.330 4.320 0.370 0.000 0.207 594 K C 2.330 178.947 176.600 0.030 0.000 1.048 594 K CA 1.220 57.531 56.287 0.040 0.000 0.930 594 K CB -0.403 32.125 32.500 0.045 0.000 0.716 594 K HN 0.293 nan 8.250 nan 0.000 0.444 595 Y N 1.723 121.965 120.300 -0.097 0.000 2.133 595 Y HA -0.174 4.596 4.550 0.366 0.000 0.287 595 Y C 1.847 177.657 175.900 -0.150 0.000 1.134 595 Y CA 1.375 59.341 58.100 -0.224 0.000 1.133 595 Y CB -0.283 37.803 38.460 -0.624 0.000 0.987 595 Y HN -0.092 nan 8.280 nan 0.000 0.502 596 L N 0.178 121.330 121.223 -0.120 0.000 2.093 596 L HA -0.181 4.381 4.340 0.370 0.000 0.208 596 L C 2.585 179.374 176.870 -0.134 0.000 1.085 596 L CA 1.762 56.520 54.840 -0.136 0.000 0.755 596 L CB -0.645 41.447 42.059 0.055 0.000 0.904 596 L HN 0.333 nan 8.230 nan 0.000 0.435 597 E N 0.430 120.581 120.200 -0.081 0.000 2.051 597 E HA -0.291 4.281 4.350 0.370 0.000 0.192 597 E C 1.698 178.240 176.600 -0.098 0.000 0.991 597 E CA 1.901 58.261 56.400 -0.067 0.000 0.799 597 E CB 0.096 29.776 29.700 -0.035 0.000 0.748 597 E HN 0.423 nan 8.360 nan 0.000 0.449 598 D N -0.385 119.938 120.400 -0.128 0.000 2.085 598 D HA -0.151 4.711 4.640 0.370 0.000 0.199 598 D C 2.044 178.236 176.300 -0.180 0.000 0.981 598 D CA 1.234 55.155 54.000 -0.130 0.000 0.834 598 D CB -0.005 40.729 40.800 -0.111 0.000 0.992 598 D HN 0.061 nan 8.370 nan 0.000 0.457 599 Q N -0.352 119.257 119.800 -0.318 0.000 2.172 599 Q HA 0.008 4.569 4.340 0.370 0.000 0.200 599 Q C 2.246 178.116 176.000 -0.217 0.000 0.964 599 Q CA 0.721 56.319 55.803 -0.343 0.000 0.855 599 Q CB 0.324 28.647 28.738 -0.691 0.000 0.918 599 Q HN 0.332 nan 8.270 nan 0.000 0.444 600 V N 0.145 119.944 119.914 -0.192 0.000 3.085 600 V HA 0.004 4.346 4.120 0.370 0.000 0.245 600 V C 1.235 177.268 176.094 -0.101 0.000 1.114 600 V CA 0.606 62.838 62.300 -0.114 0.000 1.108 600 V CB -0.417 31.341 31.823 -0.109 0.000 0.798 600 V HN 0.268 nan 8.190 nan 0.000 0.471 601 N N 1.324 119.965 118.700 -0.097 0.000 1.347 601 N HA -0.395 4.567 4.740 0.370 0.000 0.141 601 N C 1.230 176.707 175.510 -0.055 0.000 0.677 601 N CA 2.688 55.694 53.050 -0.072 0.000 1.016 601 N CB -1.491 36.953 38.487 -0.071 0.000 1.268 601 N HN 0.435 nan 8.380 nan 0.000 0.487 602 A N -0.545 122.245 122.820 -0.050 0.000 2.168 602 A HA -0.014 4.527 4.320 0.370 0.000 0.215 602 A C 1.091 178.653 177.584 -0.036 0.000 1.152 602 A CA 1.844 53.859 52.037 -0.036 0.000 0.716 602 A CB -0.253 18.726 19.000 -0.036 0.000 0.794 602 A HN 0.580 nan 8.150 nan 0.000 0.465 603 D N -0.874 119.495 120.400 -0.053 0.000 2.363 603 D HA 0.130 4.992 4.640 0.370 0.000 0.214 603 D C -0.045 176.210 176.300 -0.075 0.000 1.093 603 D CA -0.147 53.818 54.000 -0.058 0.000 0.837 603 D CB 0.156 40.913 40.800 -0.071 0.000 0.948 603 D HN 0.331 nan 8.370 nan 0.000 0.507 604 L N 2.753 123.936 121.223 -0.066 0.000 2.433 604 L HA 0.217 4.779 4.340 0.370 0.000 0.275 604 L C -2.313 174.549 176.870 -0.013 0.000 1.128 604 L CA -1.111 53.691 54.840 -0.063 0.000 0.875 604 L CB 0.331 42.363 42.059 -0.045 0.000 1.171 604 L HN -0.264 nan 8.230 nan 0.000 0.463 605 P HA -0.009 nan 4.420 nan 0.000 0.269 605 P C 0.040 177.406 177.300 0.109 0.000 1.209 605 P CA -0.001 63.137 63.100 0.065 0.000 0.776 605 P CB 0.321 32.061 31.700 0.066 0.000 0.876 606 Y N 2.305 122.618 120.300 0.020 0.000 2.139 606 Y HA -0.299 4.473 4.550 0.369 0.000 0.282 606 Y C 1.883 177.804 175.900 0.034 0.000 1.179 606 Y CA 1.988 60.101 58.100 0.022 0.000 1.161 606 Y CB -0.165 38.307 38.460 0.021 0.000 0.970 606 Y HN 0.467 nan 8.280 nan 0.000 0.511 607 E N -0.728 119.586 120.200 0.189 0.000 2.152 607 E HA -0.166 4.405 4.350 0.370 0.000 0.192 607 E C 2.022 178.658 176.600 0.060 0.000 0.983 607 E CA 0.967 57.444 56.400 0.129 0.000 0.818 607 E CB -0.039 29.779 29.700 0.196 0.000 0.758 607 E HN 0.431 nan 8.360 nan 0.000 0.467 608 I N 1.130 121.749 120.570 0.081 0.000 2.202 608 I HA -0.204 4.188 4.170 0.370 0.000 0.242 608 I C 2.509 178.661 176.117 0.058 0.000 1.091 608 I CA 1.269 62.647 61.300 0.129 0.000 1.368 608 I CB -1.112 36.973 38.000 0.142 0.000 1.058 608 I HN 0.112 nan 8.210 nan 0.000 0.410 609 E N 1.623 121.808 120.200 -0.025 0.000 2.085 609 E HA -0.268 4.304 4.350 0.370 0.000 0.194 609 E C 2.417 178.910 176.600 -0.178 0.000 0.994 609 E CA 1.582 57.924 56.400 -0.096 0.000 0.801 609 E CB -0.246 29.360 29.700 -0.158 0.000 0.743 609 E HN 0.295 nan 8.360 nan 0.000 0.453 610 R N -0.070 120.287 120.500 -0.238 0.000 2.081 610 R HA -0.140 4.422 4.340 0.370 0.000 0.235 610 R C 2.009 178.179 176.300 -0.217 0.000 1.131 610 R CA 1.617 57.575 56.100 -0.237 0.000 0.960 610 R CB -0.062 30.116 30.300 -0.203 0.000 0.856 610 R HN 0.164 nan 8.270 nan 0.000 0.436 611 E N 0.636 120.693 120.200 -0.239 0.000 2.106 611 E HA -0.185 4.387 4.350 0.370 0.000 0.192 611 E C 1.920 178.078 176.600 -0.736 0.000 0.984 611 E CA 0.716 56.855 56.400 -0.436 0.000 0.806 611 E CB -0.248 29.209 29.700 -0.404 0.000 0.750 611 E HN 0.261 nan 8.360 nan 0.000 0.458 612 L N 1.267 122.139 121.223 -0.586 0.000 2.017 612 L HA -0.155 4.407 4.340 0.370 0.000 0.208 612 L C 2.293 179.041 176.870 -0.203 0.000 1.073 612 L CA 1.684 56.319 54.840 -0.342 0.000 0.745 612 L CB -0.222 41.847 42.059 0.017 0.000 0.894 612 L HN -0.085 nan 8.230 nan 0.000 0.432 613 R N -0.396 119.998 120.500 -0.175 0.000 2.083 613 R HA -0.167 4.394 4.340 0.370 0.000 0.237 613 R C 2.310 178.521 176.300 -0.149 0.000 1.137 613 R CA 1.584 57.603 56.100 -0.135 0.000 0.951 613 R CB -0.863 29.356 30.300 -0.134 0.000 0.851 613 R HN 0.553 nan 8.270 nan 0.000 0.434 614 A N 1.056 123.756 122.820 -0.199 0.000 1.883 614 A HA -0.171 4.370 4.320 0.370 0.000 0.217 614 A C 2.102 179.559 177.584 -0.212 0.000 1.186 614 A CA 1.319 53.236 52.037 -0.200 0.000 0.624 614 A CB -0.575 18.286 19.000 -0.231 0.000 0.822 614 A HN 0.264 nan 8.150 nan 0.000 0.444 615 L N -0.172 120.895 121.223 -0.260 0.000 2.046 615 L HA -0.107 4.455 4.340 0.370 0.000 0.208 615 L C 2.247 179.057 176.870 -0.101 0.000 1.077 615 L CA 2.607 57.328 54.840 -0.198 0.000 0.747 615 L CB -0.615 41.347 42.059 -0.162 0.000 0.896 615 L HN 0.436 nan 8.230 nan 0.000 0.432 616 K N -1.038 119.319 120.400 -0.072 0.000 2.063 616 K HA -0.287 4.255 4.320 0.370 0.000 0.208 616 K C 2.260 178.835 176.600 -0.042 0.000 1.048 616 K CA 1.886 58.157 56.287 -0.027 0.000 0.928 616 K CB -0.115 32.371 32.500 -0.023 0.000 0.713 616 K HN 0.388 nan 8.250 nan 0.000 0.442 617 Q N 0.715 120.473 119.800 -0.070 0.000 2.079 617 Q HA -0.093 4.469 4.340 0.370 0.000 0.200 617 Q C 1.836 177.793 176.000 -0.071 0.000 0.974 617 Q CA 1.590 57.353 55.803 -0.065 0.000 0.840 617 Q CB 0.065 28.759 28.738 -0.074 0.000 0.898 617 Q HN 0.235 nan 8.270 nan 0.000 0.430 618 R N -0.350 120.090 120.500 -0.100 0.000 2.081 618 R HA -0.085 4.476 4.340 0.370 0.000 0.235 618 R C 2.314 178.560 176.300 -0.091 0.000 1.131 618 R CA 1.577 57.609 56.100 -0.113 0.000 0.960 618 R CB -0.435 29.765 30.300 -0.166 0.000 0.856 618 R HN 0.347 nan 8.270 nan 0.000 0.436 619 I N 0.896 121.423 120.570 -0.072 0.000 2.315 619 I HA -0.268 4.124 4.170 0.370 0.000 0.248 619 I C 2.559 178.671 176.117 -0.008 0.000 1.117 619 I CA 1.453 62.735 61.300 -0.029 0.000 1.404 619 I CB -0.347 37.672 38.000 0.031 0.000 1.071 619 I HN 0.216 nan 8.210 nan 0.000 0.419 620 S N 0.235 115.927 115.700 -0.013 0.000 2.419 620 S HA -0.204 4.488 4.470 0.370 0.000 0.235 620 S C 1.813 176.405 174.600 -0.013 0.000 1.019 620 S CA 0.881 59.077 58.200 -0.008 0.000 0.982 620 S CB -0.290 62.903 63.200 -0.013 0.000 0.789 620 S HN 0.419 nan 8.310 nan 0.000 0.490 621 Q N 0.484 120.269 119.800 -0.026 0.000 2.403 621 Q HA 0.361 4.923 4.340 0.370 0.000 0.203 621 Q C 0.670 176.656 176.000 -0.024 0.000 0.932 621 Q CA 0.097 55.884 55.803 -0.027 0.000 0.945 621 Q CB -0.338 28.377 28.738 -0.038 0.000 1.045 621 Q HN 0.673 nan 8.270 nan 0.000 0.511 622 M N 0.000 119.589 119.600 -0.019 0.000 2.572 622 M HA 0.000 4.702 4.480 0.370 0.000 0.227 622 M CA 0.000 55.293 55.300 -0.011 0.000 0.988 622 M CB 0.000 32.599 32.600 -0.002 0.000 1.302 622 M HN 0.000 nan 8.290 nan 0.000 0.411