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 3nb0_1_A DATA FIRST_RESID 2 DATA SEQUENCE SRDLQNHLLF ETATEVANRV GGIYSVLKSK APITVAQYKD HYHLIGPLNK DATA SEQUENCE ATYQNEVDIL DWKKPEAFSD EMRPVQHALQ TMESRGVHFV YGRWLIEGAP DATA SEQUENCE KVILFDLDSV RGYSNEWKGD LWSLVGIPSP ENDFETNDAI LLGYTVAWFL DATA SEQUENCE GEVAHLDSQH AIVAHFHEWL AGVALPLCRK RRIDVVTIFT THATLLGRYL DATA SEQUENCE CASGSFDFYN CLESVDVDHE AGRFGIYHRY CIERAAAHSA DVFTTVSQIT DATA SEQUENCE AFEAEHLLKR KPDGILPNGL NVIKFQAFHE FQNLHALKKE KINDFVRGHF DATA SEQUENCE HGCFDFDLDN TLYFFIAGRY EYKNKGADMF IEALARLNYR LKVSGSKKTV DATA SEQUENCE VAFIVMPAKN NSFTVEALKG QAEVRALENT VHEVTTSIGK RIFDHAIRYP DATA SEQUENCE HNGLTTELPT DLGELLKSSD KVMLKRRILA LRRPEGQLPP IVTHNMVDDA DATA SEQUENCE NDLILNKIRQ VQLFNSPSDR VKMIFHPEFL NANNPILGLD YDEFVRGCHL DATA SEQUENCE GVFPSYYEPW GYTPAECTVM GVPSITTNVS GFGSYMEDLI ETNQAKDYGI DATA SEQUENCE YIVDRRFKAP DESVEQLVDY MEEFVKKTRR QRINQRNATE ALSDLLDWKR DATA SEQUENCE MGLEYVKARQ LALRRGYPDQ FRELVGEELN DSNMDALA 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.551 174.600 -0.081 0.000 1.055 2 S CA 0.000 58.178 58.200 -0.036 0.000 1.107 2 S CB 0.000 63.190 63.200 -0.017 0.000 0.593 3 R N 1.032 121.438 120.500 -0.156 0.000 2.541 3 R HA 0.512 4.865 4.340 0.023 0.000 0.263 3 R C -0.611 175.593 176.300 -0.160 0.000 1.112 3 R CA -0.955 55.043 56.100 -0.169 0.000 1.170 3 R CB 0.509 30.688 30.300 -0.201 0.000 1.167 3 R HN 0.350 nan 8.270 nan 0.000 0.582 4 D N 1.235 121.593 120.400 -0.070 0.000 2.359 4 D HA 0.124 4.777 4.640 0.023 0.000 0.230 4 D C 0.774 177.124 176.300 0.083 0.000 1.118 4 D CA -0.176 53.826 54.000 0.004 0.000 0.844 4 D CB 1.016 41.839 40.800 0.038 0.000 1.059 4 D HN 0.413 nan 8.370 nan 0.000 0.493 5 L N 2.507 123.766 121.223 0.060 0.000 2.395 5 L HA -0.065 4.289 4.340 0.023 0.000 0.218 5 L C 2.126 179.138 176.870 0.236 0.000 1.130 5 L CA 0.373 55.301 54.840 0.146 0.000 0.826 5 L CB -0.115 42.026 42.059 0.137 0.000 0.941 5 L HN 0.365 nan 8.230 nan 0.000 0.451 6 Q N 0.401 120.288 119.800 0.145 0.000 2.033 6 Q HA -0.060 4.294 4.340 0.023 0.000 0.196 6 Q C 0.756 176.817 176.000 0.101 0.000 0.970 6 Q CA 0.889 56.754 55.803 0.103 0.000 0.828 6 Q CB -0.235 28.518 28.738 0.026 0.000 0.895 6 Q HN 0.325 nan 8.270 nan 0.000 0.440 7 N N 1.574 120.346 118.700 0.119 0.000 2.621 7 N HA 0.040 4.794 4.740 0.023 0.000 0.237 7 N C -1.267 174.422 175.510 0.298 0.000 0.997 7 N CA -0.232 52.874 53.050 0.092 0.000 0.918 7 N CB 0.292 38.870 38.487 0.152 0.000 1.122 7 N HN 0.180 nan 8.380 nan 0.000 0.510 8 H N 1.395 120.625 119.070 0.268 0.000 2.855 8 H HA 0.530 5.099 4.556 0.022 0.000 0.363 8 H C -0.848 174.700 175.328 0.368 0.000 1.185 8 H CA -0.912 55.338 56.048 0.337 0.000 1.174 8 H CB 0.832 30.768 29.762 0.291 0.000 1.857 8 H HN 0.146 nan 8.280 nan 0.000 0.565 9 L N 0.568 122.058 121.223 0.445 0.000 2.469 9 L HA 0.322 4.676 4.340 0.023 0.000 0.253 9 L C -0.396 176.664 176.870 0.317 0.000 1.143 9 L CA -0.698 54.314 54.840 0.286 0.000 0.804 9 L CB 0.720 42.886 42.059 0.178 0.000 1.214 9 L HN 0.551 nan 8.230 nan 0.000 0.476 10 L N 0.660 121.860 121.223 -0.038 0.000 2.505 10 L HA 0.531 4.885 4.340 0.023 0.000 0.266 10 L C -1.784 174.896 176.870 -0.318 0.000 0.954 10 L CA -0.068 54.718 54.840 -0.089 0.000 0.852 10 L CB 1.382 43.198 42.059 -0.405 0.000 1.282 10 L HN 0.251 nan 8.230 nan 0.000 0.403 11 F N 3.117 123.077 119.950 0.017 0.000 2.427 11 F HA 0.516 5.056 4.527 0.022 0.000 0.348 11 F C 0.173 175.917 175.800 -0.094 0.000 1.125 11 F CA -0.442 57.532 58.000 -0.042 0.000 0.989 11 F CB 1.877 40.888 39.000 0.017 0.000 1.165 11 F HN 0.465 nan 8.300 nan 0.000 0.442 12 E N 2.411 122.610 120.200 -0.001 0.000 2.129 12 E HA 0.426 4.789 4.350 0.023 0.000 0.268 12 E C -1.127 175.465 176.600 -0.013 0.000 0.900 12 E CA -0.436 55.979 56.400 0.026 0.000 0.755 12 E CB 1.111 30.885 29.700 0.124 0.000 1.117 12 E HN 0.543 nan 8.360 nan 0.000 0.410 13 T N 2.167 116.685 114.554 -0.059 0.000 2.823 13 T HA 0.807 5.170 4.350 0.023 0.000 0.279 13 T C -0.796 174.005 174.700 0.169 0.000 0.998 13 T CA -0.604 61.505 62.100 0.016 0.000 0.994 13 T CB 1.581 70.437 68.868 -0.019 0.000 0.960 13 T HN 0.528 nan 8.240 nan 0.000 0.448 14 A N 1.523 124.417 122.820 0.124 0.000 2.601 14 A HA 0.654 4.988 4.320 0.023 0.000 0.291 14 A C 0.847 178.457 177.584 0.045 0.000 1.075 14 A CA -0.665 51.447 52.037 0.125 0.000 0.671 14 A CB 0.726 19.773 19.000 0.078 0.000 1.277 14 A HN 0.596 nan 8.150 nan 0.000 0.417 15 T N 0.097 114.667 114.554 0.026 0.000 2.995 15 T HA 0.012 4.375 4.350 0.023 0.000 0.269 15 T C 0.889 175.580 174.700 -0.015 0.000 1.091 15 T CA 1.975 64.070 62.100 -0.009 0.000 1.128 15 T CB -0.127 68.713 68.868 -0.047 0.000 0.891 15 T HN 0.639 nan 8.240 nan 0.000 0.492 16 E N 1.168 121.364 120.200 -0.007 0.000 2.465 16 E HA 0.136 4.500 4.350 0.023 0.000 0.195 16 E C 0.262 176.865 176.600 0.005 0.000 1.028 16 E CA -0.226 56.201 56.400 0.046 0.000 0.899 16 E CB 0.572 30.340 29.700 0.113 0.000 1.032 16 E HN 0.353 nan 8.360 nan 0.000 0.468 17 V N -0.832 118.973 119.914 -0.182 0.000 2.529 17 V HA 0.332 4.465 4.120 0.023 0.000 0.292 17 V C 0.907 176.630 176.094 -0.620 0.000 1.028 17 V CA 0.089 62.064 62.300 -0.542 0.000 1.074 17 V CB 0.458 31.981 31.823 -0.500 0.000 0.958 17 V HN 0.304 nan 8.190 nan 0.000 0.481 18 A N 3.092 125.221 122.820 -1.152 0.000 2.826 18 A HA -0.254 4.080 4.320 0.023 0.000 0.274 18 A C 0.522 178.129 177.584 0.037 0.000 1.443 18 A CA 1.624 53.308 52.037 -0.588 0.000 0.833 18 A CB -2.475 16.141 19.000 -0.639 0.000 1.023 18 A HN 2.557 nan 8.150 nan 0.000 0.600 19 N N -1.776 117.060 118.700 0.227 0.000 2.976 19 N HA 0.285 5.038 4.740 0.023 0.000 0.249 19 N C -0.759 174.807 175.510 0.093 0.000 1.258 19 N CA -0.129 52.999 53.050 0.131 0.000 0.864 19 N CB 0.802 39.311 38.487 0.036 0.000 1.551 19 N HN 0.500 nan 8.380 nan 0.000 0.607 20 R N 3.289 123.631 120.500 -0.264 0.000 2.370 20 R HA 0.276 4.630 4.340 0.023 0.000 0.309 20 R C -0.602 175.587 176.300 -0.186 0.000 1.059 20 R CA -0.055 55.722 56.100 -0.538 0.000 0.981 20 R CB 0.609 30.328 30.300 -0.969 0.000 0.972 20 R HN 0.496 nan 8.270 nan 0.000 0.437 21 V N 3.752 123.627 119.914 -0.065 0.000 3.001 21 V HA 0.336 4.470 4.120 0.023 0.000 0.228 21 V C 0.974 177.055 176.094 -0.021 0.000 1.204 21 V CA 0.916 63.200 62.300 -0.027 0.000 1.247 21 V CB 0.291 32.120 31.823 0.011 0.000 1.093 21 V HN 0.912 nan 8.190 nan 0.000 0.504 22 G N -1.135 107.669 108.800 0.007 0.000 3.222 22 G HA2 0.484 4.458 3.960 0.023 0.000 0.263 22 G HA3 0.484 4.458 3.960 0.023 0.000 0.263 22 G C 0.838 175.728 174.900 -0.018 0.000 1.312 22 G CA 0.222 45.319 45.100 -0.005 0.000 0.934 22 G HN 0.350 nan 8.290 nan 0.000 0.577 23 G N -0.492 108.255 108.800 -0.089 0.000 2.501 23 G HA2 -0.111 3.862 3.960 0.023 0.000 0.220 23 G HA3 -0.111 3.862 3.960 0.023 0.000 0.220 23 G C 1.533 176.457 174.900 0.040 0.000 1.114 23 G CA 0.715 45.690 45.100 -0.208 0.000 0.757 23 G HN 0.419 nan 8.290 nan 0.000 0.559 24 I N -0.772 119.825 120.570 0.044 0.000 2.226 24 I HA -0.193 3.990 4.170 0.023 0.000 0.245 24 I C 2.373 178.517 176.117 0.046 0.000 1.100 24 I CA 1.159 62.440 61.300 -0.032 0.000 1.374 24 I CB -0.204 37.702 38.000 -0.157 0.000 1.057 24 I HN 0.328 nan 8.210 nan 0.000 0.413 25 Y N 1.712 122.011 120.300 -0.003 0.000 2.128 25 Y HA -0.374 4.190 4.550 0.023 0.000 0.284 25 Y C 2.872 178.830 175.900 0.096 0.000 1.154 25 Y CA 2.132 60.284 58.100 0.086 0.000 1.149 25 Y CB -0.285 38.227 38.460 0.087 0.000 0.976 25 Y HN 0.265 nan 8.280 nan 0.000 0.505 26 S N -1.033 114.828 115.700 0.269 0.000 2.399 26 S HA -0.160 4.324 4.470 0.023 0.000 0.231 26 S C 1.897 176.558 174.600 0.101 0.000 1.022 26 S CA 1.324 59.618 58.200 0.157 0.000 0.983 26 S CB -1.077 62.198 63.200 0.124 0.000 0.803 26 S HN 0.276 nan 8.310 nan 0.000 0.480 27 V N 2.066 122.063 119.914 0.139 0.000 2.307 27 V HA -0.065 4.069 4.120 0.023 0.000 0.245 27 V C 2.591 178.689 176.094 0.007 0.000 1.045 27 V CA 1.772 64.190 62.300 0.195 0.000 1.024 27 V CB -0.794 31.167 31.823 0.230 0.000 0.651 27 V HN 0.460 nan 8.190 nan 0.000 0.449 28 L N -0.124 121.040 121.223 -0.097 0.000 2.056 28 L HA -0.195 4.159 4.340 0.023 0.000 0.207 28 L C 2.541 179.300 176.870 -0.185 0.000 1.078 28 L CA 1.946 56.690 54.840 -0.161 0.000 0.749 28 L CB -0.671 41.345 42.059 -0.071 0.000 0.901 28 L HN 0.318 nan 8.230 nan 0.000 0.433 29 K N 0.696 120.938 120.400 -0.263 0.000 1.978 29 K HA -0.229 4.104 4.320 0.023 0.000 0.214 29 K C 2.282 178.664 176.600 -0.363 0.000 1.049 29 K CA 2.161 58.122 56.287 -0.543 0.000 0.939 29 K CB -0.197 31.877 32.500 -0.710 0.000 0.721 29 K HN 0.319 nan 8.250 nan 0.000 0.441 30 S N 0.059 115.649 115.700 -0.182 0.000 2.469 30 S HA -0.125 4.358 4.470 0.023 0.000 0.238 30 S C 1.820 176.261 174.600 -0.265 0.000 0.998 30 S CA 1.247 59.422 58.200 -0.042 0.000 0.957 30 S CB -0.082 63.261 63.200 0.237 0.000 0.764 30 S HN 0.384 nan 8.310 nan 0.000 0.514 31 K N 0.828 120.848 120.400 -0.634 0.000 2.356 31 K HA 0.349 4.683 4.320 0.023 0.000 0.195 31 K C 2.138 178.256 176.600 -0.803 0.000 1.037 31 K CA 0.558 56.032 56.287 -1.355 0.000 1.014 31 K CB -0.379 31.135 32.500 -1.645 0.000 0.815 31 K HN 0.382 nan 8.250 nan 0.000 0.507 32 A N 2.413 124.934 122.820 -0.499 0.000 1.859 32 A HA -0.130 4.204 4.320 0.023 0.000 0.217 32 A C -0.767 176.614 177.584 -0.337 0.000 1.198 32 A CA 1.398 53.226 52.037 -0.349 0.000 0.629 32 A CB -1.649 17.206 19.000 -0.242 0.000 0.830 32 A HN 0.243 nan 8.150 nan 0.000 0.446 33 P HA -0.256 nan 4.420 nan 0.000 0.214 33 P C 1.653 178.820 177.300 -0.222 0.000 1.164 33 P CA 2.083 65.056 63.100 -0.212 0.000 0.942 33 P CB -0.397 31.203 31.700 -0.166 0.000 0.791 34 I N -4.305 116.113 120.570 -0.253 0.000 2.567 34 I HA -0.173 4.011 4.170 0.023 0.000 0.257 34 I C 1.609 177.576 176.117 -0.251 0.000 1.184 34 I CA 1.863 63.036 61.300 -0.211 0.000 1.451 34 I CB -1.414 36.481 38.000 -0.175 0.000 1.089 34 I HN -0.092 nan 8.210 nan 0.000 0.441 35 T N 1.215 115.536 114.554 -0.387 0.000 2.732 35 T HA -0.019 4.344 4.350 0.023 0.000 0.261 35 T C 2.082 176.580 174.700 -0.336 0.000 1.040 35 T CA 1.571 63.387 62.100 -0.474 0.000 1.145 35 T CB -0.342 67.952 68.868 -0.957 0.000 0.866 35 T HN 0.225 nan 8.240 nan 0.000 0.427 36 V N 2.098 121.833 119.914 -0.298 0.000 2.392 36 V HA -0.191 3.943 4.120 0.023 0.000 0.249 36 V C 2.896 178.937 176.094 -0.088 0.000 1.059 36 V CA 1.664 63.890 62.300 -0.123 0.000 1.051 36 V CB -1.237 30.534 31.823 -0.087 0.000 0.658 36 V HN 0.537 nan 8.190 nan 0.000 0.455 37 A N -1.325 121.425 122.820 -0.117 0.000 2.070 37 A HA -0.272 4.062 4.320 0.023 0.000 0.220 37 A C 2.238 179.754 177.584 -0.113 0.000 1.159 37 A CA 2.025 54.002 52.037 -0.101 0.000 0.656 37 A CB -0.338 18.602 19.000 -0.100 0.000 0.800 37 A HN 0.609 nan 8.150 nan 0.000 0.453 38 Q N -2.880 116.846 119.800 -0.124 0.000 2.394 38 Q HA 0.054 4.408 4.340 0.023 0.000 0.218 38 Q C 1.035 176.824 176.000 -0.351 0.000 0.907 38 Q CA 0.538 56.211 55.803 -0.218 0.000 0.919 38 Q CB 0.299 28.907 28.738 -0.216 0.000 1.051 38 Q HN 0.769 nan 8.270 nan 0.000 0.538 39 Y N -0.229 119.965 120.300 -0.176 0.000 2.498 39 Y HA 0.148 4.712 4.550 0.023 0.000 0.259 39 Y C 0.778 176.619 175.900 -0.099 0.000 1.086 39 Y CA 0.036 58.041 58.100 -0.159 0.000 1.287 39 Y CB 0.789 39.217 38.460 -0.052 0.000 1.146 39 Y HN -0.062 nan 8.280 nan 0.000 0.523 40 K N 0.201 120.638 120.400 0.062 0.000 1.791 40 K HA -0.289 4.045 4.320 0.023 0.000 0.140 40 K C 0.662 177.337 176.600 0.125 0.000 1.312 40 K CA 1.959 58.283 56.287 0.061 0.000 0.382 40 K CB -1.352 31.171 32.500 0.038 0.000 0.635 40 K HN 0.408 nan 8.250 nan 0.000 0.838 41 D N 0.244 120.732 120.400 0.147 0.000 2.349 41 D HA -0.005 4.649 4.640 0.023 0.000 0.224 41 D C 1.186 177.571 176.300 0.142 0.000 1.029 41 D CA 0.915 54.969 54.000 0.089 0.000 0.879 41 D CB -0.233 40.598 40.800 0.053 0.000 0.906 41 D HN 0.483 nan 8.370 nan 0.000 0.528 42 H N -0.539 118.564 119.070 0.056 0.000 2.462 42 H HA 0.042 4.612 4.556 0.023 0.000 0.292 42 H C -0.216 175.117 175.328 0.008 0.000 1.049 42 H CA 0.547 56.624 56.048 0.049 0.000 1.334 42 H CB -0.467 29.348 29.762 0.087 0.000 1.404 42 H HN 0.231 nan 8.280 nan 0.000 0.544 43 Y N 1.311 121.602 120.300 -0.016 0.000 2.335 43 Y HA 0.292 4.856 4.550 0.023 0.000 0.331 43 Y C -0.682 175.022 175.900 -0.326 0.000 1.094 43 Y CA -0.721 57.240 58.100 -0.232 0.000 1.253 43 Y CB 0.128 38.462 38.460 -0.211 0.000 1.203 43 Y HN 0.126 nan 8.280 nan 0.000 0.508 44 H N 4.770 123.249 119.070 -0.985 0.000 2.771 44 H HA 0.529 5.099 4.556 0.022 0.000 0.361 44 H C -1.370 173.477 175.328 -0.801 0.000 1.108 44 H CA -0.657 54.939 56.048 -0.754 0.000 1.201 44 H CB 1.564 31.064 29.762 -0.436 0.000 1.681 44 H HN 0.677 nan 8.280 nan 0.000 0.534 45 L N 4.110 125.050 121.223 -0.471 0.000 2.325 45 L HA 0.550 4.904 4.340 0.023 0.000 0.278 45 L C -0.711 176.069 176.870 -0.150 0.000 1.023 45 L CA -0.451 54.207 54.840 -0.302 0.000 0.811 45 L CB 1.306 43.202 42.059 -0.272 0.000 1.249 45 L HN 0.467 nan 8.230 nan 0.000 0.431 46 I N 1.659 122.181 120.570 -0.079 0.000 2.545 46 I HA 0.802 4.985 4.170 0.023 0.000 0.292 46 I C 0.107 176.208 176.117 -0.027 0.000 1.040 46 I CA -0.361 60.916 61.300 -0.039 0.000 1.068 46 I CB 2.108 40.161 38.000 0.090 0.000 1.251 46 I HN 0.646 nan 8.210 nan 0.000 0.424 47 G N 5.006 113.781 108.800 -0.041 0.000 2.608 47 G HA2 0.630 4.603 3.960 0.023 0.000 0.291 47 G HA3 0.630 4.603 3.960 0.023 0.000 0.291 47 G C -3.284 171.619 174.900 0.005 0.000 1.425 47 G CA -1.035 44.052 45.100 -0.022 0.000 0.787 47 G HN 0.257 nan 8.290 nan 0.000 0.484 48 P HA 0.361 nan 4.420 nan 0.000 0.273 48 P C -0.750 176.525 177.300 -0.043 0.000 1.250 48 P CA -0.418 62.693 63.100 0.017 0.000 0.793 48 P CB 1.284 32.993 31.700 0.015 0.000 1.011 49 L N 1.719 122.909 121.223 -0.055 0.000 2.298 49 L HA 0.415 4.769 4.340 0.023 0.000 0.284 49 L C -0.151 176.654 176.870 -0.109 0.000 1.013 49 L CA -0.507 54.252 54.840 -0.135 0.000 0.824 49 L CB 0.372 42.299 42.059 -0.220 0.000 1.221 49 L HN 0.194 nan 8.230 nan 0.000 0.418 50 N N 4.163 122.823 118.700 -0.067 0.000 2.439 50 N HA 0.129 4.882 4.740 0.023 0.000 0.243 50 N C 0.641 176.178 175.510 0.045 0.000 1.088 50 N CA 0.106 53.153 53.050 -0.004 0.000 0.940 50 N CB 0.848 39.354 38.487 0.032 0.000 1.180 50 N HN 0.655 nan 8.380 nan 0.000 0.505 51 K N 2.128 122.532 120.400 0.008 0.000 2.063 51 K HA -0.108 4.225 4.320 0.023 0.000 0.208 51 K C 1.559 178.300 176.600 0.234 0.000 1.048 51 K CA 1.567 57.915 56.287 0.102 0.000 0.928 51 K CB 0.008 32.531 32.500 0.037 0.000 0.713 51 K HN 0.562 nan 8.250 nan 0.000 0.442 52 A N 0.858 123.752 122.820 0.124 0.000 2.178 52 A HA -0.134 4.199 4.320 0.023 0.000 0.218 52 A C 1.900 179.539 177.584 0.092 0.000 1.157 52 A CA 2.028 54.120 52.037 0.092 0.000 0.689 52 A CB -0.474 18.556 19.000 0.051 0.000 0.787 52 A HN 0.517 nan 8.150 nan 0.000 0.465 53 T N -5.839 108.796 114.554 0.136 0.000 3.073 53 T HA 0.023 4.387 4.350 0.023 0.000 0.264 53 T C 1.438 176.196 174.700 0.098 0.000 0.893 53 T CA 0.519 62.672 62.100 0.089 0.000 0.863 53 T CB -0.880 68.028 68.868 0.067 0.000 1.247 53 T HN 0.601 nan 8.240 nan 0.000 0.546 54 Y N 1.395 121.699 120.300 0.008 0.000 2.384 54 Y HA 0.071 4.635 4.550 0.022 0.000 0.289 54 Y C 2.349 178.260 175.900 0.018 0.000 1.152 54 Y CA 1.122 59.224 58.100 0.003 0.000 1.258 54 Y CB -0.303 38.144 38.460 -0.022 0.000 0.979 54 Y HN 0.271 nan 8.280 nan 0.000 0.549 55 Q N 1.121 120.555 119.800 -0.610 0.000 2.084 55 Q HA -0.193 4.160 4.340 0.023 0.000 0.202 55 Q C 1.350 177.241 176.000 -0.181 0.000 0.978 55 Q CA 1.777 57.279 55.803 -0.502 0.000 0.844 55 Q CB -0.099 28.389 28.738 -0.416 0.000 0.898 55 Q HN 0.636 nan 8.270 nan 0.000 0.426 56 N N 0.421 119.067 118.700 -0.089 0.000 2.364 56 N HA -0.142 4.612 4.740 0.023 0.000 0.183 56 N C 1.116 176.658 175.510 0.053 0.000 1.022 56 N CA 1.023 54.066 53.050 -0.012 0.000 0.883 56 N CB -0.048 38.444 38.487 0.009 0.000 0.965 56 N HN 0.356 nan 8.380 nan 0.000 0.438 57 E N -0.003 120.255 120.200 0.097 0.000 2.201 57 E HA 0.140 4.503 4.350 0.023 0.000 0.193 57 E C 0.103 176.864 176.600 0.269 0.000 0.957 57 E CA 0.273 56.825 56.400 0.253 0.000 0.858 57 E CB 0.778 30.668 29.700 0.317 0.000 0.816 57 E HN 0.032 nan 8.360 nan 0.000 0.475 58 V N 2.066 122.055 119.914 0.125 0.000 2.628 58 V HA 0.191 4.325 4.120 0.023 0.000 0.306 58 V C -0.581 175.540 176.094 0.045 0.000 1.045 58 V CA -0.945 61.418 62.300 0.104 0.000 0.905 58 V CB 1.924 33.795 31.823 0.079 0.000 0.997 58 V HN -0.081 nan 8.190 nan 0.000 0.436 59 D N 3.329 123.756 120.400 0.044 0.000 2.422 59 D HA 0.345 4.999 4.640 0.023 0.000 0.227 59 D C -0.126 176.191 176.300 0.029 0.000 1.190 59 D CA -0.321 53.691 54.000 0.021 0.000 0.905 59 D CB 0.293 41.100 40.800 0.011 0.000 1.034 59 D HN 0.354 nan 8.370 nan 0.000 0.507 60 I N 4.942 125.538 120.570 0.043 0.000 2.691 60 I HA 0.000 4.184 4.170 0.023 0.000 0.288 60 I C 0.670 176.852 176.117 0.108 0.000 1.143 60 I CA 0.273 61.628 61.300 0.091 0.000 1.364 60 I CB -0.273 37.786 38.000 0.099 0.000 1.435 60 I HN 0.247 nan 8.210 nan 0.000 0.551 61 L N 4.420 125.734 121.223 0.152 0.000 2.642 61 L HA 0.446 4.800 4.340 0.023 0.000 0.229 61 L C 0.081 177.117 176.870 0.278 0.000 1.179 61 L CA -0.651 54.304 54.840 0.192 0.000 0.834 61 L CB 0.610 42.802 42.059 0.221 0.000 1.515 61 L HN 0.444 nan 8.230 nan 0.000 0.512 62 D N -1.491 119.048 120.400 0.231 0.000 2.505 62 D HA 0.182 4.836 4.640 0.023 0.000 0.250 62 D C 0.236 176.629 176.300 0.156 0.000 1.164 62 D CA -0.570 53.501 54.000 0.118 0.000 0.870 62 D CB 0.846 41.614 40.800 -0.053 0.000 1.160 62 D HN 0.390 nan 8.370 nan 0.000 0.549 63 W N 4.427 125.795 121.300 0.114 0.000 2.825 63 W HA 0.138 4.812 4.660 0.023 0.000 0.243 63 W C 0.841 177.448 176.519 0.147 0.000 1.293 63 W CA 0.076 57.477 57.345 0.094 0.000 1.403 63 W CB -0.087 29.360 29.460 -0.021 0.000 1.134 63 W HN 0.224 nan 8.180 nan 0.000 0.666 64 K N 1.556 121.693 120.400 -0.439 0.000 2.076 64 K HA 0.010 4.344 4.320 0.023 0.000 0.204 64 K C 0.861 177.388 176.600 -0.121 0.000 1.051 64 K CA 0.744 56.795 56.287 -0.392 0.000 0.949 64 K CB -0.297 31.866 32.500 -0.561 0.000 0.726 64 K HN 0.060 nan 8.250 nan 0.000 0.443 65 K N 1.568 121.922 120.400 -0.077 0.000 2.469 65 K HA -0.029 4.305 4.320 0.023 0.000 0.274 65 K C -2.027 174.603 176.600 0.050 0.000 0.983 65 K CA -0.977 55.299 56.287 -0.018 0.000 0.974 65 K CB 0.156 32.646 32.500 -0.017 0.000 0.913 65 K HN -0.145 nan 8.250 nan 0.000 0.493 66 P HA -0.115 nan 4.420 nan 0.000 0.218 66 P C 0.105 177.454 177.300 0.081 0.000 1.152 66 P CA 1.122 64.258 63.100 0.060 0.000 0.826 66 P CB 0.235 31.954 31.700 0.033 0.000 0.790 67 E N -0.036 120.193 120.200 0.049 0.000 2.478 67 E HA 0.002 4.366 4.350 0.023 0.000 0.198 67 E C 1.916 178.527 176.600 0.018 0.000 1.046 67 E CA 0.786 57.207 56.400 0.035 0.000 0.870 67 E CB -0.920 28.789 29.700 0.015 0.000 0.818 67 E HN 0.172 nan 8.360 nan 0.000 0.527 68 A N 0.629 123.464 122.820 0.025 0.000 1.933 68 A HA -0.046 4.288 4.320 0.023 0.000 0.218 68 A C 0.431 177.791 177.584 -0.373 0.000 1.175 68 A CA 0.916 52.866 52.037 -0.145 0.000 0.628 68 A CB -0.214 18.729 19.000 -0.095 0.000 0.814 68 A HN 0.216 nan 8.150 nan 0.000 0.444 69 F N -0.333 119.634 119.950 0.028 0.000 2.520 69 F HA 0.438 4.979 4.527 0.022 0.000 0.322 69 F C 0.881 176.693 175.800 0.020 0.000 1.103 69 F CA -0.475 57.544 58.000 0.031 0.000 0.926 69 F CB 1.702 40.703 39.000 0.003 0.000 1.154 69 F HN 0.112 nan 8.300 nan 0.000 0.453 70 S N 0.455 116.261 115.700 0.176 0.000 2.606 70 S HA 0.034 4.518 4.470 0.023 0.000 0.257 70 S C 0.721 175.393 174.600 0.121 0.000 1.327 70 S CA -0.460 57.812 58.200 0.120 0.000 0.984 70 S CB 0.675 63.934 63.200 0.098 0.000 0.941 70 S HN 0.636 nan 8.310 nan 0.000 0.576 71 D N 1.009 121.466 120.400 0.095 0.000 2.149 71 D HA -0.120 4.534 4.640 0.023 0.000 0.198 71 D C 2.043 178.402 176.300 0.099 0.000 0.990 71 D CA 1.913 55.965 54.000 0.086 0.000 0.839 71 D CB -0.240 40.603 40.800 0.072 0.000 0.948 71 D HN 0.918 nan 8.370 nan 0.000 0.460 72 E N -0.603 119.668 120.200 0.119 0.000 2.250 72 E HA -0.029 4.335 4.350 0.023 0.000 0.192 72 E C 1.139 177.837 176.600 0.164 0.000 0.986 72 E CA 0.319 56.821 56.400 0.171 0.000 0.849 72 E CB -0.060 29.793 29.700 0.255 0.000 0.797 72 E HN 0.081 nan 8.360 nan 0.000 0.482 73 M N 1.191 120.846 119.600 0.091 0.000 2.608 73 M HA 0.203 4.696 4.480 0.023 0.000 0.224 73 M C 1.080 177.453 176.300 0.122 0.000 1.204 73 M CA 0.245 55.600 55.300 0.091 0.000 0.984 73 M CB -0.120 32.555 32.600 0.125 0.000 1.691 73 M HN 0.068 nan 8.290 nan 0.000 0.469 74 R N 0.459 120.996 120.500 0.061 0.000 2.075 74 R HA 0.006 4.359 4.340 0.023 0.000 0.226 74 R C -0.653 175.565 176.300 -0.136 0.000 1.114 74 R CA 0.977 57.031 56.100 -0.076 0.000 0.972 74 R CB -1.949 28.336 30.300 -0.026 0.000 0.869 74 R HN 0.234 nan 8.270 nan 0.000 0.437 75 P HA -0.104 nan 4.420 nan 0.000 0.217 75 P C 1.549 178.850 177.300 0.002 0.000 1.148 75 P CA 0.990 64.145 63.100 0.092 0.000 0.828 75 P CB -0.031 31.727 31.700 0.097 0.000 0.783 76 V N -0.168 119.715 119.914 -0.052 0.000 2.307 76 V HA -0.268 3.866 4.120 0.023 0.000 0.245 76 V C 2.698 178.611 176.094 -0.302 0.000 1.045 76 V CA 1.930 64.187 62.300 -0.071 0.000 1.024 76 V CB -1.338 30.506 31.823 0.035 0.000 0.651 76 V HN 0.186 nan 8.190 nan 0.000 0.449 77 Q N -0.338 119.029 119.800 -0.722 0.000 2.096 77 Q HA -0.269 4.084 4.340 0.023 0.000 0.204 77 Q C 2.158 177.952 176.000 -0.342 0.000 0.982 77 Q CA 2.206 57.459 55.803 -0.917 0.000 0.850 77 Q CB -0.189 27.832 28.738 -1.196 0.000 0.901 77 Q HN 0.796 nan 8.270 nan 0.000 0.422 78 H N -1.219 117.750 119.070 -0.169 0.000 2.462 78 H HA 0.020 4.589 4.556 0.022 0.000 0.292 78 H C 1.807 177.128 175.328 -0.011 0.000 1.049 78 H CA 0.692 56.709 56.048 -0.051 0.000 1.334 78 H CB 0.259 30.002 29.762 -0.032 0.000 1.404 78 H HN 0.409 nan 8.280 nan 0.000 0.544 79 A N 0.390 123.256 122.820 0.077 0.000 1.975 79 A HA -0.006 4.327 4.320 0.023 0.000 0.215 79 A C 2.127 179.755 177.584 0.074 0.000 1.170 79 A CA 0.460 52.538 52.037 0.067 0.000 0.656 79 A CB -0.314 18.666 19.000 -0.033 0.000 0.821 79 A HN 0.260 nan 8.150 nan 0.000 0.449 80 L N -0.908 120.306 121.223 -0.015 0.000 2.056 80 L HA -0.203 4.151 4.340 0.023 0.000 0.207 80 L C 2.774 179.721 176.870 0.129 0.000 1.078 80 L CA 1.557 56.261 54.840 -0.228 0.000 0.749 80 L CB -0.412 41.425 42.059 -0.371 0.000 0.901 80 L HN 0.415 nan 8.230 nan 0.000 0.433 81 Q N 0.053 119.974 119.800 0.203 0.000 2.061 81 Q HA -0.189 4.165 4.340 0.023 0.000 0.204 81 Q C 2.100 178.233 176.000 0.222 0.000 0.984 81 Q CA 2.534 58.505 55.803 0.281 0.000 0.846 81 Q CB -0.466 28.415 28.738 0.239 0.000 0.902 81 Q HN 0.381 nan 8.270 nan 0.000 0.421 82 T N 0.157 114.810 114.554 0.164 0.000 2.665 82 T HA -0.215 4.148 4.350 0.023 0.000 0.268 82 T C 1.702 176.472 174.700 0.116 0.000 1.035 82 T CA 1.785 63.974 62.100 0.147 0.000 1.151 82 T CB -0.273 68.681 68.868 0.142 0.000 0.862 82 T HN 0.238 nan 8.240 nan 0.000 0.438 83 M N 0.822 120.438 119.600 0.026 0.000 2.117 83 M HA -0.036 4.458 4.480 0.023 0.000 0.262 83 M C 2.287 178.657 176.300 0.118 0.000 1.065 83 M CA 1.348 56.583 55.300 -0.110 0.000 1.114 83 M CB -0.243 32.226 32.600 -0.217 0.000 1.361 83 M HN 0.165 nan 8.290 nan 0.000 0.408 84 E N -0.790 119.589 120.200 0.297 0.000 2.204 84 E HA -0.116 4.248 4.350 0.023 0.000 0.194 84 E C 0.974 177.692 176.600 0.196 0.000 0.989 84 E CA 0.877 57.430 56.400 0.256 0.000 0.824 84 E CB 0.075 29.953 29.700 0.296 0.000 0.756 84 E HN 0.354 nan 8.360 nan 0.000 0.477 85 S N 0.364 116.175 115.700 0.185 0.000 2.786 85 S HA 0.080 4.564 4.470 0.023 0.000 0.223 85 S C 0.839 175.543 174.600 0.173 0.000 0.956 85 S CA 0.131 58.431 58.200 0.165 0.000 0.961 85 S CB 0.076 63.371 63.200 0.159 0.000 0.784 85 S HN 0.168 nan 8.310 nan 0.000 0.519 86 R N -1.039 119.566 120.500 0.176 0.000 2.551 86 R HA 0.245 4.599 4.340 0.023 0.000 0.316 86 R C 1.190 177.592 176.300 0.170 0.000 0.934 86 R CA 0.664 56.890 56.100 0.211 0.000 1.117 86 R CB 0.048 30.541 30.300 0.322 0.000 1.626 86 R HN 0.349 nan 8.270 nan 0.000 0.513 87 G N 1.111 109.995 108.800 0.140 0.000 2.176 87 G HA2 -0.252 3.721 3.960 0.023 0.000 0.232 87 G HA3 -0.252 3.721 3.960 0.023 0.000 0.232 87 G C 0.060 174.904 174.900 -0.094 0.000 0.986 87 G CA 0.106 45.260 45.100 0.090 0.000 0.643 87 G HN 0.073 nan 8.290 nan 0.000 0.522 88 V N 3.221 123.136 119.914 0.001 0.000 2.415 88 V HA 0.318 4.452 4.120 0.023 0.000 0.267 88 V C 0.311 176.530 176.094 0.208 0.000 1.042 88 V CA -0.431 61.856 62.300 -0.021 0.000 1.000 88 V CB 0.473 32.200 31.823 -0.160 0.000 1.015 88 V HN 0.333 nan 8.190 nan 0.000 0.478 89 H N 6.350 125.450 119.070 0.050 0.000 2.640 89 H HA 0.471 5.041 4.556 0.022 0.000 0.297 89 H C -0.113 175.200 175.328 -0.024 0.000 1.073 89 H CA -0.853 55.148 56.048 -0.079 0.000 1.305 89 H CB 0.316 30.044 29.762 -0.057 0.000 1.404 89 H HN 0.574 nan 8.280 nan 0.000 0.459 90 F N -0.047 119.814 119.950 -0.147 0.000 2.613 90 F HA 0.747 5.287 4.527 0.022 0.000 0.342 90 F C -0.554 175.013 175.800 -0.389 0.000 1.066 90 F CA -1.398 56.368 58.000 -0.389 0.000 1.002 90 F CB 0.878 39.395 39.000 -0.805 0.000 1.319 90 F HN 0.053 nan 8.300 nan 0.000 0.495 91 V N 1.734 121.550 119.914 -0.163 0.000 2.419 91 V HA 0.231 4.365 4.120 0.023 0.000 0.287 91 V C -1.276 174.837 176.094 0.032 0.000 1.017 91 V CA -0.637 61.624 62.300 -0.064 0.000 0.844 91 V CB 1.012 32.805 31.823 -0.050 0.000 1.011 91 V HN 0.751 nan 8.190 nan 0.000 0.429 92 Y N 3.803 124.127 120.300 0.040 0.000 2.307 92 Y HA 0.832 5.395 4.550 0.022 0.000 0.324 92 Y C 0.674 176.650 175.900 0.127 0.000 1.238 92 Y CA 1.041 59.206 58.100 0.109 0.000 1.280 92 Y CB 1.781 40.425 38.460 0.307 0.000 1.248 92 Y HN 0.797 nan 8.280 nan 0.000 0.508 93 G N 3.649 112.171 108.800 -0.463 0.000 2.333 93 G HA2 0.238 4.211 3.960 0.023 0.000 0.288 93 G HA3 0.238 4.211 3.960 0.023 0.000 0.288 93 G C -1.829 172.882 174.900 -0.315 0.000 1.286 93 G CA -1.270 43.677 45.100 -0.256 0.000 0.865 93 G HN 0.593 nan 8.290 nan 0.000 0.506 94 R N -0.841 119.580 120.500 -0.131 0.000 2.514 94 R HA 0.381 4.735 4.340 0.023 0.000 0.301 94 R C -1.108 175.230 176.300 0.063 0.000 0.962 94 R CA -0.724 55.334 56.100 -0.070 0.000 0.882 94 R CB 2.064 32.333 30.300 -0.052 0.000 1.143 94 R HN 0.499 nan 8.270 nan 0.000 0.452 95 W N 5.529 126.750 121.300 -0.132 0.000 2.356 95 W HA 0.130 4.804 4.660 0.023 0.000 0.311 95 W C -0.326 176.143 176.519 -0.084 0.000 1.328 95 W CA -0.952 56.333 57.345 -0.100 0.000 1.251 95 W CB 0.326 29.713 29.460 -0.121 0.000 1.280 95 W HN 0.506 nan 8.180 nan 0.000 0.524 96 L N 9.884 131.218 121.223 0.185 0.000 2.450 96 L HA 0.071 4.424 4.340 0.023 0.000 0.256 96 L C 0.217 176.965 176.870 -0.203 0.000 1.374 96 L CA 0.230 55.062 54.840 -0.013 0.000 1.210 96 L CB -1.443 40.635 42.059 0.032 0.000 1.394 96 L HN 0.310 nan 8.230 nan 0.000 0.438 97 I N -2.958 117.432 120.570 -0.299 0.000 3.004 97 I HA 0.385 4.568 4.170 0.023 0.000 0.305 97 I C -0.258 175.693 176.117 -0.277 0.000 1.312 97 I CA -1.071 59.987 61.300 -0.404 0.000 0.992 97 I CB 1.842 39.358 38.000 -0.806 0.000 1.282 97 I HN 0.043 nan 8.210 nan 0.000 0.449 98 E N 2.140 122.196 120.200 -0.240 0.000 2.558 98 E HA 0.255 4.618 4.350 0.023 0.000 0.255 98 E C 1.035 177.524 176.600 -0.186 0.000 0.968 98 E CA 1.605 57.898 56.400 -0.178 0.000 0.939 98 E CB 0.220 29.827 29.700 -0.154 0.000 0.921 98 E HN 1.065 nan 8.360 nan 0.000 0.477 99 G N 3.232 111.949 108.800 -0.140 0.000 2.232 99 G HA2 -0.309 3.665 3.960 0.023 0.000 0.226 99 G HA3 -0.309 3.665 3.960 0.023 0.000 0.226 99 G C 0.525 175.369 174.900 -0.094 0.000 0.996 99 G CA 0.035 45.059 45.100 -0.125 0.000 0.626 99 G HN 1.557 nan 8.290 nan 0.000 0.509 100 A N 0.419 123.180 122.820 -0.099 0.000 1.949 100 A HA 0.165 4.499 4.320 0.023 0.000 0.255 100 A C -1.149 176.412 177.584 -0.038 0.000 1.286 100 A CA 1.519 53.520 52.037 -0.060 0.000 0.755 100 A CB -1.081 17.884 19.000 -0.058 0.000 1.161 100 A HN 0.843 nan 8.150 nan 0.000 0.308 101 P HA 0.357 nan 4.420 nan 0.000 0.281 101 P C -0.235 177.007 177.300 -0.097 0.000 1.249 101 P CA -0.478 62.632 63.100 0.017 0.000 0.810 101 P CB 0.725 32.516 31.700 0.152 0.000 1.008 102 K N 1.221 121.468 120.400 -0.255 0.000 2.368 102 K HA 0.319 4.652 4.320 0.023 0.000 0.282 102 K C -0.182 176.156 176.600 -0.438 0.000 1.035 102 K CA -0.250 55.759 56.287 -0.464 0.000 0.973 102 K CB 0.308 32.356 32.500 -0.754 0.000 0.957 102 K HN 0.371 nan 8.250 nan 0.000 0.474 103 V N 1.038 120.706 119.914 -0.410 0.000 2.525 103 V HA 0.514 4.648 4.120 0.023 0.000 0.299 103 V C -0.229 175.681 176.094 -0.306 0.000 1.034 103 V CA -1.014 61.102 62.300 -0.306 0.000 0.863 103 V CB 1.279 32.925 31.823 -0.294 0.000 0.999 103 V HN 0.561 nan 8.190 nan 0.000 0.423 104 I N 6.005 126.443 120.570 -0.219 0.000 2.291 104 I HA 0.399 4.582 4.170 0.023 0.000 0.290 104 I C -0.317 175.511 176.117 -0.481 0.000 1.050 104 I CA -0.229 60.857 61.300 -0.357 0.000 1.245 104 I CB 1.018 38.702 38.000 -0.527 0.000 1.405 104 I HN 0.456 nan 8.210 nan 0.000 0.478 105 L N 6.753 127.724 121.223 -0.420 0.000 2.262 105 L HA 0.461 4.814 4.340 0.023 0.000 0.288 105 L C -0.610 176.044 176.870 -0.360 0.000 1.035 105 L CA -0.477 54.166 54.840 -0.329 0.000 0.820 105 L CB 0.603 42.526 42.059 -0.225 0.000 1.204 105 L HN 0.394 nan 8.230 nan 0.000 0.424 106 F N 1.288 121.172 119.950 -0.109 0.000 2.396 106 F HA 0.170 4.710 4.527 0.022 0.000 0.343 106 F C 0.780 176.541 175.800 -0.066 0.000 1.104 106 F CA -0.443 57.513 58.000 -0.072 0.000 1.161 106 F CB 0.739 39.679 39.000 -0.100 0.000 1.146 106 F HN 0.416 nan 8.300 nan 0.000 0.522 107 D N 3.014 123.498 120.400 0.141 0.000 2.308 107 D HA 0.173 4.827 4.640 0.023 0.000 0.251 107 D C 0.769 177.123 176.300 0.090 0.000 1.127 107 D CA 0.044 54.081 54.000 0.061 0.000 0.876 107 D CB 1.002 41.830 40.800 0.046 0.000 1.176 107 D HN 0.485 nan 8.370 nan 0.000 0.446 108 L N 2.633 123.895 121.223 0.065 0.000 2.095 108 L HA -0.053 4.300 4.340 0.023 0.000 0.204 108 L C 1.693 178.607 176.870 0.073 0.000 1.080 108 L CA 0.584 55.472 54.840 0.081 0.000 0.759 108 L CB -0.257 41.848 42.059 0.077 0.000 0.914 108 L HN 0.443 nan 8.230 nan 0.000 0.439 109 D N -0.127 120.303 120.400 0.050 0.000 2.158 109 D HA -0.229 4.425 4.640 0.023 0.000 0.197 109 D C 2.222 178.534 176.300 0.020 0.000 0.995 109 D CA 1.806 55.830 54.000 0.040 0.000 0.846 109 D CB -0.178 40.642 40.800 0.033 0.000 0.941 109 D HN 0.237 nan 8.370 nan 0.000 0.456 110 S N 0.302 115.997 115.700 -0.008 0.000 2.571 110 S HA -0.098 4.386 4.470 0.023 0.000 0.245 110 S C 1.449 175.995 174.600 -0.090 0.000 0.976 110 S CA 1.166 59.282 58.200 -0.139 0.000 0.954 110 S CB -0.170 62.900 63.200 -0.216 0.000 0.756 110 S HN 0.229 nan 8.310 nan 0.000 0.535 111 V N -2.434 117.487 119.914 0.012 0.000 3.537 111 V HA 0.478 4.611 4.120 0.023 0.000 0.315 111 V C 1.380 177.533 176.094 0.098 0.000 1.541 111 V CA 0.167 62.487 62.300 0.033 0.000 1.160 111 V CB -0.675 31.189 31.823 0.068 0.000 0.998 111 V HN 0.325 nan 8.190 nan 0.000 0.473 112 R N 1.745 122.299 120.500 0.090 0.000 2.139 112 R HA -0.097 4.256 4.340 0.023 0.000 0.243 112 R C 2.084 178.414 176.300 0.050 0.000 1.145 112 R CA 2.406 58.558 56.100 0.087 0.000 0.976 112 R CB -0.728 29.610 30.300 0.064 0.000 0.866 112 R HN 0.633 nan 8.270 nan 0.000 0.449 113 G N -0.007 108.818 108.800 0.041 0.000 2.476 113 G HA2 -0.290 3.683 3.960 0.023 0.000 0.218 113 G HA3 -0.290 3.683 3.960 0.023 0.000 0.218 113 G C 0.752 175.553 174.900 -0.165 0.000 1.164 113 G CA 0.926 45.995 45.100 -0.052 0.000 0.768 113 G HN 0.419 nan 8.290 nan 0.000 0.560 114 Y N 1.590 121.612 120.300 -0.463 0.000 2.716 114 Y HA -0.004 4.558 4.550 0.021 0.000 0.302 114 Y C 2.811 178.330 175.900 -0.635 0.000 1.160 114 Y CA 0.226 57.813 58.100 -0.855 0.000 1.362 114 Y CB -0.728 36.616 38.460 -1.861 0.000 0.988 114 Y HN 0.270 nan 8.280 nan 0.000 0.546 115 S N 0.884 116.514 115.700 -0.116 0.000 2.427 115 S HA -0.314 4.170 4.470 0.023 0.000 0.231 115 S C 2.182 176.798 174.600 0.027 0.000 1.045 115 S CA 2.168 60.397 58.200 0.047 0.000 1.154 115 S CB -0.346 62.889 63.200 0.058 0.000 1.093 115 S HN 0.573 nan 8.310 nan 0.000 0.422 116 N N 1.331 120.006 118.700 -0.040 0.000 2.036 116 N HA -0.163 4.590 4.740 0.023 0.000 0.195 116 N C 1.893 177.375 175.510 -0.046 0.000 1.037 116 N CA 1.664 54.691 53.050 -0.037 0.000 0.855 116 N CB -0.979 37.466 38.487 -0.069 0.000 1.033 116 N HN 0.743 nan 8.380 nan 0.000 0.423 117 E N -0.296 119.817 120.200 -0.146 0.000 2.130 117 E HA -0.206 4.157 4.350 0.023 0.000 0.196 117 E C 1.422 178.008 176.600 -0.024 0.000 0.998 117 E CA 1.117 57.427 56.400 -0.151 0.000 0.806 117 E CB -0.068 29.442 29.700 -0.316 0.000 0.738 117 E HN 0.399 nan 8.360 nan 0.000 0.459 118 W N 0.821 122.018 121.300 -0.172 0.000 2.453 118 W HA 0.052 4.725 4.660 0.022 0.000 0.289 118 W C 2.185 178.682 176.519 -0.035 0.000 1.215 118 W CA 0.551 57.677 57.345 -0.366 0.000 1.297 118 W CB -0.462 28.638 29.460 -0.601 0.000 1.113 118 W HN 0.089 nan 8.180 nan 0.000 0.551 119 K N -0.321 120.241 120.400 0.268 0.000 2.057 119 K HA -0.107 4.227 4.320 0.023 0.000 0.207 119 K C 2.332 179.072 176.600 0.233 0.000 1.049 119 K CA 1.592 58.026 56.287 0.246 0.000 0.931 119 K CB -0.851 31.746 32.500 0.161 0.000 0.714 119 K HN 0.113 nan 8.250 nan 0.000 0.440 120 G N 1.359 110.257 108.800 0.163 0.000 2.421 120 G HA2 -0.330 3.643 3.960 0.023 0.000 0.216 120 G HA3 -0.330 3.643 3.960 0.023 0.000 0.216 120 G C 1.163 176.206 174.900 0.238 0.000 1.171 120 G CA 1.259 46.458 45.100 0.165 0.000 0.775 120 G HN 0.328 nan 8.290 nan 0.000 0.543 121 D N -0.401 120.125 120.400 0.209 0.000 2.149 121 D HA -0.105 4.548 4.640 0.023 0.000 0.198 121 D C 2.307 178.762 176.300 0.259 0.000 0.990 121 D CA 0.666 54.797 54.000 0.217 0.000 0.839 121 D CB -0.160 40.767 40.800 0.211 0.000 0.948 121 D HN 0.170 nan 8.370 nan 0.000 0.460 122 L N -0.700 120.724 121.223 0.335 0.000 2.056 122 L HA 0.003 4.356 4.340 0.023 0.000 0.207 122 L C 1.834 178.826 176.870 0.204 0.000 1.078 122 L CA 1.494 56.491 54.840 0.262 0.000 0.749 122 L CB -0.778 41.457 42.059 0.294 0.000 0.901 122 L HN 0.319 nan 8.230 nan 0.000 0.433 123 W N -0.016 121.337 121.300 0.090 0.000 2.358 123 W HA -0.223 4.452 4.660 0.025 0.000 0.303 123 W C 2.675 179.220 176.519 0.043 0.000 1.208 123 W CA 2.272 59.655 57.345 0.063 0.000 1.274 123 W CB -0.241 29.255 29.460 0.061 0.000 1.138 123 W HN 0.342 nan 8.180 nan 0.000 0.515 124 S N -0.413 115.410 115.700 0.204 0.000 2.436 124 S HA -0.082 4.402 4.470 0.023 0.000 0.228 124 S C 1.882 176.444 174.600 -0.063 0.000 1.014 124 S CA 1.118 59.343 58.200 0.041 0.000 0.950 124 S CB -0.711 62.588 63.200 0.166 0.000 0.784 124 S HN 0.294 nan 8.310 nan 0.000 0.504 125 L N 1.251 122.462 121.223 -0.020 0.000 2.095 125 L HA 0.082 4.435 4.340 0.023 0.000 0.204 125 L C 2.073 178.876 176.870 -0.112 0.000 1.080 125 L CA 1.155 55.964 54.840 -0.052 0.000 0.759 125 L CB -0.292 41.757 42.059 -0.017 0.000 0.914 125 L HN 0.430 nan 8.230 nan 0.000 0.439 126 V N -5.685 114.149 119.914 -0.132 0.000 3.398 126 V HA 0.527 4.661 4.120 0.023 0.000 0.298 126 V C 1.085 177.051 176.094 -0.212 0.000 1.496 126 V CA 0.255 62.456 62.300 -0.165 0.000 1.044 126 V CB 0.266 31.998 31.823 -0.151 0.000 0.880 126 V HN 0.422 nan 8.190 nan 0.000 0.443 127 G N 1.484 110.096 108.800 -0.313 0.000 2.141 127 G HA2 -0.232 3.741 3.960 0.023 0.000 0.242 127 G HA3 -0.232 3.741 3.960 0.023 0.000 0.242 127 G C -0.057 174.693 174.900 -0.250 0.000 0.982 127 G CA 0.268 45.067 45.100 -0.502 0.000 0.662 127 G HN 0.610 nan 8.290 nan 0.000 0.527 128 I N 2.355 122.890 120.570 -0.059 0.000 2.379 128 I HA 0.263 4.447 4.170 0.023 0.000 0.290 128 I C -1.443 174.896 176.117 0.370 0.000 1.063 128 I CA -2.054 59.313 61.300 0.112 0.000 1.351 128 I CB 1.023 39.054 38.000 0.052 0.000 1.410 128 I HN -0.062 nan 8.210 nan 0.000 0.505 129 P HA 0.208 nan 4.420 nan 0.000 0.277 129 P C -0.943 176.507 177.300 0.250 0.000 1.276 129 P CA -0.513 62.855 63.100 0.447 0.000 0.788 129 P CB 0.705 32.644 31.700 0.399 0.000 1.114 130 S N -2.569 113.188 115.700 0.094 0.000 2.441 130 S HA 0.379 4.862 4.470 0.023 0.000 0.187 130 S C -3.039 171.510 174.600 -0.085 0.000 0.917 130 S CA -1.106 57.106 58.200 0.019 0.000 1.078 130 S CB -0.522 62.752 63.200 0.122 0.000 1.379 130 S HN 0.105 nan 8.310 nan 0.000 0.399 131 P HA 0.241 nan 4.420 nan 0.000 0.268 131 P C 0.755 177.985 177.300 -0.116 0.000 1.208 131 P CA -0.114 62.868 63.100 -0.196 0.000 0.777 131 P CB 0.592 32.113 31.700 -0.299 0.000 0.875 132 E N 1.477 121.626 120.200 -0.086 0.000 2.230 132 E HA -0.093 4.270 4.350 0.023 0.000 0.192 132 E C 1.235 177.768 176.600 -0.111 0.000 0.987 132 E CA 0.797 57.173 56.400 -0.041 0.000 0.841 132 E CB -0.299 29.396 29.700 -0.007 0.000 0.783 132 E HN 0.517 nan 8.360 nan 0.000 0.481 133 N N 0.751 119.321 118.700 -0.216 0.000 2.457 133 N HA -0.127 4.627 4.740 0.023 0.000 0.180 133 N C 0.550 175.593 175.510 -0.779 0.000 1.050 133 N CA 0.401 53.160 53.050 -0.484 0.000 0.906 133 N CB -0.306 38.010 38.487 -0.286 0.000 0.968 133 N HN -0.101 nan 8.380 nan 0.000 0.445 134 D N 0.372 120.561 120.400 -0.352 0.000 2.455 134 D HA 0.003 4.657 4.640 0.023 0.000 0.234 134 D C -0.018 176.247 176.300 -0.059 0.000 1.224 134 D CA -0.387 53.519 54.000 -0.157 0.000 0.999 134 D CB -0.179 40.685 40.800 0.107 0.000 1.072 134 D HN 0.003 nan 8.370 nan 0.000 0.514 135 F N 1.639 121.670 119.950 0.134 0.000 2.293 135 F HA -0.070 4.461 4.527 0.007 0.000 0.300 135 F C 2.188 178.063 175.800 0.126 0.000 1.086 135 F CA 0.592 58.660 58.000 0.114 0.000 1.375 135 F CB -0.285 38.769 39.000 0.090 0.000 1.045 135 F HN 0.381 nan 8.300 nan 0.000 0.516 136 E N -0.251 120.128 120.200 0.297 0.000 2.072 136 E HA -0.146 4.217 4.350 0.023 0.000 0.190 136 E C 2.308 179.030 176.600 0.202 0.000 0.982 136 E CA 1.822 58.355 56.400 0.222 0.000 0.803 136 E CB -0.551 29.284 29.700 0.224 0.000 0.755 136 E HN 0.474 nan 8.360 nan 0.000 0.453 137 T N -0.016 114.722 114.554 0.306 0.000 2.904 137 T HA -0.085 4.278 4.350 0.023 0.000 0.267 137 T C 1.707 176.556 174.700 0.249 0.000 1.059 137 T CA 0.920 63.225 62.100 0.341 0.000 1.137 137 T CB -0.181 68.970 68.868 0.472 0.000 0.879 137 T HN -0.080 nan 8.240 nan 0.000 0.467 138 N N 2.305 121.145 118.700 0.232 0.000 2.021 138 N HA -0.127 4.627 4.740 0.023 0.000 0.198 138 N C 1.575 177.206 175.510 0.202 0.000 1.041 138 N CA 1.877 55.057 53.050 0.217 0.000 0.862 138 N CB -0.677 37.952 38.487 0.237 0.000 1.048 138 N HN 0.483 nan 8.380 nan 0.000 0.427 139 D N 0.222 120.730 120.400 0.179 0.000 2.219 139 D HA 0.006 4.660 4.640 0.023 0.000 0.205 139 D C 1.678 178.037 176.300 0.098 0.000 0.970 139 D CA 0.730 54.812 54.000 0.135 0.000 0.851 139 D CB -0.224 40.641 40.800 0.109 0.000 0.943 139 D HN 0.270 nan 8.370 nan 0.000 0.488 140 A N 0.501 123.371 122.820 0.083 0.000 1.969 140 A HA -0.083 4.251 4.320 0.023 0.000 0.218 140 A C 2.282 179.898 177.584 0.053 0.000 1.169 140 A CA 0.661 52.716 52.037 0.030 0.000 0.635 140 A CB -0.438 18.564 19.000 0.003 0.000 0.810 140 A HN 0.186 nan 8.150 nan 0.000 0.445 141 I N -0.515 120.131 120.570 0.127 0.000 2.333 141 I HA -0.171 4.012 4.170 0.023 0.000 0.246 141 I C 2.260 178.502 176.117 0.209 0.000 1.106 141 I CA 0.669 62.066 61.300 0.163 0.000 1.411 141 I CB -0.357 37.805 38.000 0.269 0.000 1.082 141 I HN 0.269 nan 8.210 nan 0.000 0.420 142 L N 0.254 121.624 121.223 0.246 0.000 2.012 142 L HA -0.254 4.100 4.340 0.023 0.000 0.210 142 L C 2.653 179.583 176.870 0.100 0.000 1.073 142 L CA 1.251 56.263 54.840 0.287 0.000 0.748 142 L CB -0.681 41.538 42.059 0.268 0.000 0.891 142 L HN 0.282 nan 8.230 nan 0.000 0.431 143 L N 0.302 121.556 121.223 0.052 0.000 2.017 143 L HA -0.077 4.277 4.340 0.023 0.000 0.208 143 L C 2.371 179.191 176.870 -0.083 0.000 1.073 143 L CA 2.185 57.021 54.840 -0.008 0.000 0.745 143 L CB -1.140 40.933 42.059 0.023 0.000 0.894 143 L HN 0.145 nan 8.230 nan 0.000 0.432 144 G N -1.599 107.129 108.800 -0.121 0.000 2.446 144 G HA2 -0.340 3.634 3.960 0.023 0.000 0.217 144 G HA3 -0.340 3.634 3.960 0.023 0.000 0.217 144 G C 1.424 176.105 174.900 -0.365 0.000 1.168 144 G CA 1.172 46.123 45.100 -0.249 0.000 0.771 144 G HN 0.473 nan 8.290 nan 0.000 0.551 145 Y N 1.252 121.272 120.300 -0.467 0.000 2.145 145 Y HA -0.099 4.464 4.550 0.022 0.000 0.286 145 Y C 3.406 179.030 175.900 -0.460 0.000 1.145 145 Y CA 1.762 59.425 58.100 -0.729 0.000 1.148 145 Y CB -0.714 36.699 38.460 -1.745 0.000 0.981 145 Y HN 0.141 nan 8.280 nan 0.000 0.507 146 T N -0.712 113.699 114.554 -0.239 0.000 2.720 146 T HA -0.171 4.193 4.350 0.023 0.000 0.268 146 T C 2.046 176.587 174.700 -0.265 0.000 1.037 146 T CA 1.731 63.712 62.100 -0.200 0.000 1.144 146 T CB -0.681 67.926 68.868 -0.435 0.000 0.864 146 T HN 0.114 nan 8.240 nan 0.000 0.444 147 V N 1.260 121.051 119.914 -0.205 0.000 2.591 147 V HA 0.014 4.148 4.120 0.023 0.000 0.249 147 V C 2.755 178.891 176.094 0.069 0.000 1.053 147 V CA 1.292 63.568 62.300 -0.039 0.000 1.068 147 V CB -0.970 30.921 31.823 0.113 0.000 0.689 147 V HN 0.503 nan 8.190 nan 0.000 0.462 148 A N -0.634 122.184 122.820 -0.004 0.000 2.016 148 A HA -0.172 4.162 4.320 0.023 0.000 0.217 148 A C 1.938 179.557 177.584 0.058 0.000 1.162 148 A CA 1.040 53.067 52.037 -0.016 0.000 0.662 148 A CB -0.579 18.336 19.000 -0.142 0.000 0.812 148 A HN 0.669 nan 8.150 nan 0.000 0.450 149 W N 0.477 121.695 121.300 -0.136 0.000 2.322 149 W HA -0.249 4.423 4.660 0.021 0.000 0.326 149 W C 1.904 178.379 176.519 -0.073 0.000 1.224 149 W CA 1.705 58.991 57.345 -0.097 0.000 1.257 149 W CB -1.425 27.968 29.460 -0.110 0.000 1.174 149 W HN 0.423 nan 8.180 nan 0.000 0.460 150 F N 1.124 121.056 119.950 -0.030 0.000 2.091 150 F HA -0.277 4.264 4.527 0.023 0.000 0.299 150 F C 2.373 178.083 175.800 -0.150 0.000 1.103 150 F CA 2.520 60.408 58.000 -0.187 0.000 1.228 150 F CB -0.990 37.859 39.000 -0.252 0.000 0.984 150 F HN -0.131 nan 8.300 nan 0.000 0.477 151 L N -0.062 120.951 121.223 -0.351 0.000 2.131 151 L HA -0.162 4.191 4.340 0.023 0.000 0.210 151 L C 2.752 179.450 176.870 -0.286 0.000 1.092 151 L CA 1.199 55.752 54.840 -0.478 0.000 0.759 151 L CB -1.553 40.378 42.059 -0.213 0.000 0.903 151 L HN 0.415 nan 8.230 nan 0.000 0.435 152 G N -0.527 108.199 108.800 -0.122 0.000 2.421 152 G HA2 -0.215 3.759 3.960 0.023 0.000 0.216 152 G HA3 -0.215 3.759 3.960 0.023 0.000 0.216 152 G C 1.439 176.316 174.900 -0.038 0.000 1.171 152 G CA 0.289 45.359 45.100 -0.049 0.000 0.775 152 G HN 0.265 nan 8.290 nan 0.000 0.543 153 E N 0.505 120.680 120.200 -0.040 0.000 2.051 153 E HA -0.095 4.268 4.350 0.023 0.000 0.192 153 E C 2.882 179.453 176.600 -0.047 0.000 0.991 153 E CA 0.873 57.279 56.400 0.010 0.000 0.799 153 E CB -0.770 28.947 29.700 0.028 0.000 0.748 153 E HN 0.295 nan 8.360 nan 0.000 0.449 154 V N 1.697 121.438 119.914 -0.288 0.000 2.392 154 V HA -0.245 3.889 4.120 0.023 0.000 0.249 154 V C 2.396 178.439 176.094 -0.086 0.000 1.059 154 V CA 1.852 63.991 62.300 -0.268 0.000 1.051 154 V CB -0.806 30.672 31.823 -0.575 0.000 0.658 154 V HN 0.261 nan 8.190 nan 0.000 0.455 155 A N -1.604 121.176 122.820 -0.067 0.000 2.066 155 A HA -0.205 4.128 4.320 0.023 0.000 0.218 155 A C 2.194 179.824 177.584 0.077 0.000 1.157 155 A CA 1.423 53.474 52.037 0.024 0.000 0.670 155 A CB -0.782 18.234 19.000 0.027 0.000 0.804 155 A HN 0.721 nan 8.150 nan 0.000 0.453 156 H N -1.047 118.007 119.070 -0.027 0.000 2.395 156 H HA 0.002 4.572 4.556 0.023 0.000 0.299 156 H C 1.414 176.741 175.328 -0.002 0.000 1.070 156 H CA 1.478 57.521 56.048 -0.008 0.000 1.356 156 H CB 0.246 30.004 29.762 -0.006 0.000 1.401 156 H HN 0.379 nan 8.280 nan 0.000 0.524 157 L N 0.357 121.557 121.223 -0.038 0.000 2.269 157 L HA 0.047 4.400 4.340 0.023 0.000 0.200 157 L C 0.815 177.671 176.870 -0.023 0.000 1.069 157 L CA 0.582 55.375 54.840 -0.078 0.000 0.804 157 L CB -0.339 41.722 42.059 0.003 0.000 0.987 157 L HN 0.129 nan 8.230 nan 0.000 0.468 158 D N -0.327 120.089 120.400 0.027 0.000 2.425 158 D HA 0.055 4.708 4.640 0.023 0.000 0.247 158 D C 0.600 176.918 176.300 0.030 0.000 1.147 158 D CA 0.497 54.537 54.000 0.066 0.000 0.879 158 D CB 1.233 42.122 40.800 0.150 0.000 1.179 158 D HN 0.192 nan 8.370 nan 0.000 0.456 159 S N 2.060 117.758 115.700 -0.003 0.000 2.666 159 S HA 0.021 4.504 4.470 0.023 0.000 0.239 159 S C 1.164 175.726 174.600 -0.063 0.000 1.031 159 S CA -0.465 57.719 58.200 -0.027 0.000 1.015 159 S CB 0.790 63.967 63.200 -0.039 0.000 0.981 159 S HN 0.576 nan 8.310 nan 0.000 0.547 160 Q N 1.252 120.979 119.800 -0.122 0.000 2.389 160 Q HA 0.161 4.514 4.340 0.023 0.000 0.198 160 Q C -0.452 175.408 176.000 -0.233 0.000 0.967 160 Q CA 0.372 56.019 55.803 -0.259 0.000 0.863 160 Q CB 0.149 28.591 28.738 -0.494 0.000 0.987 160 Q HN 0.708 nan 8.270 nan 0.000 0.557 161 H N 0.285 119.401 119.070 0.075 0.000 2.610 161 H HA 0.468 5.037 4.556 0.023 0.000 0.336 161 H C -0.497 174.896 175.328 0.108 0.000 1.087 161 H CA -0.155 55.967 56.048 0.123 0.000 1.405 161 H CB 1.284 31.163 29.762 0.195 0.000 1.460 161 H HN 0.374 nan 8.280 nan 0.000 0.538 162 A N 3.518 126.458 122.820 0.201 0.000 2.445 162 A HA 0.303 4.636 4.320 0.023 0.000 0.242 162 A C -0.268 177.499 177.584 0.305 0.000 1.075 162 A CA -0.301 51.820 52.037 0.140 0.000 0.777 162 A CB 0.091 19.088 19.000 -0.005 0.000 1.013 162 A HN 0.543 nan 8.150 nan 0.000 0.493 163 I N 1.979 122.729 120.570 0.299 0.000 2.441 163 I HA 0.401 4.584 4.170 0.023 0.000 0.295 163 I C -0.287 175.998 176.117 0.280 0.000 0.994 163 I CA -0.706 60.784 61.300 0.318 0.000 1.144 163 I CB 1.142 39.302 38.000 0.267 0.000 1.314 163 I HN 0.250 nan 8.210 nan 0.000 0.445 164 V N 4.929 125.026 119.914 0.306 0.000 2.448 164 V HA 0.772 4.906 4.120 0.023 0.000 0.295 164 V C 0.162 176.411 176.094 0.258 0.000 1.025 164 V CA -0.649 61.790 62.300 0.232 0.000 0.859 164 V CB 1.663 33.604 31.823 0.197 0.000 0.988 164 V HN 0.890 nan 8.190 nan 0.000 0.431 165 A N 3.533 126.459 122.820 0.176 0.000 2.330 165 A HA 0.738 5.071 4.320 0.023 0.000 0.313 165 A C -0.930 176.646 177.584 -0.013 0.000 1.124 165 A CA -0.485 51.597 52.037 0.075 0.000 0.774 165 A CB 0.621 19.662 19.000 0.068 0.000 1.198 165 A HN 1.018 nan 8.150 nan 0.000 0.465 166 H N 1.649 120.573 119.070 -0.243 0.000 2.589 166 H HA 0.654 5.224 4.556 0.022 0.000 0.335 166 H C -1.609 173.502 175.328 -0.362 0.000 1.019 166 H CA -0.619 55.333 56.048 -0.161 0.000 1.213 166 H CB 0.790 30.544 29.762 -0.013 0.000 1.472 166 H HN 0.547 nan 8.280 nan 0.000 0.508 167 F N 3.235 123.402 119.950 0.361 0.000 2.480 167 F HA 0.312 4.852 4.527 0.022 0.000 0.329 167 F C 0.045 175.960 175.800 0.192 0.000 1.091 167 F CA -0.732 57.453 58.000 0.308 0.000 0.972 167 F CB 1.445 40.645 39.000 0.334 0.000 1.150 167 F HN 0.530 nan 8.300 nan 0.000 0.467 168 H N 2.214 121.555 119.070 0.452 0.000 2.638 168 H HA 0.398 4.967 4.556 0.022 0.000 0.317 168 H C -0.542 174.947 175.328 0.268 0.000 1.006 168 H CA -0.628 55.593 56.048 0.289 0.000 1.222 168 H CB 1.699 31.548 29.762 0.145 0.000 1.419 168 H HN 0.695 nan 8.280 nan 0.000 0.489 169 E N 1.478 121.897 120.200 0.366 0.000 8.364 169 E HA -0.184 4.180 4.350 0.023 0.000 0.471 169 E C 0.805 177.727 176.600 0.537 0.000 1.001 169 E CA 0.579 57.219 56.400 0.400 0.000 1.790 169 E CB -0.532 29.291 29.700 0.205 0.000 0.993 169 E HN 0.767 nan 8.360 nan 0.000 0.262 170 W N 4.405 125.974 121.300 0.447 0.000 2.342 170 W HA -0.181 4.491 4.660 0.020 0.000 0.297 170 W C 1.233 177.846 176.519 0.158 0.000 1.213 170 W CA 1.396 58.908 57.345 0.279 0.000 1.251 170 W CB -0.945 28.619 29.460 0.174 0.000 1.136 170 W HN 0.518 nan 8.180 nan 0.000 0.526 171 L N 1.581 122.353 121.223 -0.751 0.000 2.349 171 L HA -0.083 4.270 4.340 0.023 0.000 0.220 171 L C 2.403 179.143 176.870 -0.216 0.000 1.130 171 L CA 1.497 55.887 54.840 -0.750 0.000 0.791 171 L CB -0.733 40.849 42.059 -0.796 0.000 0.918 171 L HN 0.108 nan 8.230 nan 0.000 0.444 172 A N -1.053 121.756 122.820 -0.018 0.000 2.637 172 A HA 0.464 4.797 4.320 0.023 0.000 0.293 172 A C 1.503 179.145 177.584 0.096 0.000 1.216 172 A CA 0.343 52.448 52.037 0.112 0.000 0.956 172 A CB -0.083 19.065 19.000 0.246 0.000 1.174 172 A HN 0.282 nan 8.150 nan 0.000 0.525 173 G N -1.241 107.534 108.800 -0.042 0.000 3.044 173 G HA2 0.225 4.199 3.960 0.023 0.000 0.223 173 G HA3 0.225 4.199 3.960 0.023 0.000 0.223 173 G C 1.083 175.729 174.900 -0.424 0.000 1.123 173 G CA 0.860 45.783 45.100 -0.295 0.000 0.765 173 G HN 0.186 nan 8.290 nan 0.000 0.546 174 V N 1.793 121.528 119.914 -0.298 0.000 2.392 174 V HA -0.223 3.910 4.120 0.023 0.000 0.249 174 V C 3.248 179.057 176.094 -0.474 0.000 1.059 174 V CA 2.069 64.167 62.300 -0.336 0.000 1.051 174 V CB -0.676 30.985 31.823 -0.269 0.000 0.658 174 V HN 0.427 nan 8.190 nan 0.000 0.455 175 A N -0.404 122.102 122.820 -0.523 0.000 2.024 175 A HA -0.172 4.162 4.320 0.023 0.000 0.220 175 A C 2.213 179.474 177.584 -0.538 0.000 1.164 175 A CA 1.719 53.441 52.037 -0.525 0.000 0.643 175 A CB -0.476 18.257 19.000 -0.445 0.000 0.806 175 A HN 0.524 nan 8.150 nan 0.000 0.451 176 L N -0.046 120.781 121.223 -0.659 0.000 1.994 176 L HA -0.127 4.227 4.340 0.023 0.000 0.208 176 L C -0.215 176.455 176.870 -0.333 0.000 1.071 176 L CA 1.844 56.383 54.840 -0.502 0.000 0.745 176 L CB -1.311 40.425 42.059 -0.538 0.000 0.892 176 L HN 0.265 nan 8.230 nan 0.000 0.431 177 P HA -0.202 nan 4.420 nan 0.000 0.215 177 P C 1.891 179.050 177.300 -0.234 0.000 1.153 177 P CA 1.638 64.584 63.100 -0.257 0.000 0.853 177 P CB -0.067 31.478 31.700 -0.259 0.000 0.788 178 L N -0.774 120.275 121.223 -0.291 0.000 2.042 178 L HA -0.183 4.171 4.340 0.023 0.000 0.210 178 L C 2.839 179.604 176.870 -0.176 0.000 1.076 178 L CA 1.636 56.323 54.840 -0.257 0.000 0.749 178 L CB -1.406 40.437 42.059 -0.360 0.000 0.893 178 L HN 0.061 nan 8.230 nan 0.000 0.432 179 C N -0.765 118.433 119.300 -0.171 0.000 2.446 179 C HA -0.093 4.380 4.460 0.023 0.000 0.279 179 C C 2.995 177.931 174.990 -0.090 0.000 1.366 179 C CA 0.463 59.418 59.018 -0.106 0.000 1.763 179 C CB -0.845 26.853 27.740 -0.071 0.000 1.929 179 C HN 0.450 nan 8.230 nan 0.000 0.509 180 R N 0.928 121.362 120.500 -0.110 0.000 2.080 180 R HA -0.018 4.336 4.340 0.023 0.000 0.222 180 R C 2.397 178.645 176.300 -0.086 0.000 1.107 180 R CA 0.875 56.919 56.100 -0.094 0.000 0.980 180 R CB -0.194 30.044 30.300 -0.104 0.000 0.879 180 R HN 0.207 nan 8.270 nan 0.000 0.439 181 K N 0.957 121.299 120.400 -0.097 0.000 2.026 181 K HA -0.117 4.217 4.320 0.023 0.000 0.208 181 K C 1.823 178.383 176.600 -0.067 0.000 1.048 181 K CA 1.612 57.850 56.287 -0.082 0.000 0.929 181 K CB -0.024 32.423 32.500 -0.088 0.000 0.713 181 K HN 0.185 nan 8.250 nan 0.000 0.439 182 R N 0.161 120.619 120.500 -0.070 0.000 2.307 182 R HA 0.102 4.456 4.340 0.023 0.000 0.199 182 R C 0.293 176.565 176.300 -0.047 0.000 1.000 182 R CA 0.116 56.182 56.100 -0.058 0.000 1.023 182 R CB -0.062 30.200 30.300 -0.064 0.000 0.908 182 R HN 0.200 nan 8.270 nan 0.000 0.473 183 R N 0.532 121.002 120.500 -0.050 0.000 3.627 183 R HA -0.174 4.180 4.340 0.023 0.000 0.281 183 R C -0.532 175.753 176.300 -0.025 0.000 1.140 183 R CA 0.396 56.472 56.100 -0.040 0.000 0.761 183 R CB -2.114 28.166 30.300 -0.033 0.000 1.181 183 R HN 0.272 nan 8.270 nan 0.000 0.472 184 I N 0.807 121.361 120.570 -0.027 0.000 2.845 184 I HA -0.120 4.063 4.170 0.023 0.000 0.296 184 I C 1.309 177.433 176.117 0.012 0.000 1.216 184 I CA 0.447 61.741 61.300 -0.009 0.000 1.438 184 I CB 0.204 38.191 38.000 -0.022 0.000 1.342 184 I HN 0.033 nan 8.210 nan 0.000 0.577 185 D N 6.653 127.079 120.400 0.044 0.000 2.745 185 D HA 0.186 4.840 4.640 0.023 0.000 0.229 185 D C -0.871 175.506 176.300 0.128 0.000 1.088 185 D CA 0.285 54.340 54.000 0.093 0.000 1.054 185 D CB -0.132 40.751 40.800 0.137 0.000 1.132 185 D HN 0.110 nan 8.370 nan 0.000 0.464 186 V N 1.559 121.521 119.914 0.079 0.000 2.760 186 V HA 0.270 4.404 4.120 0.023 0.000 0.309 186 V C -0.023 176.111 176.094 0.067 0.000 1.077 186 V CA -1.049 61.313 62.300 0.103 0.000 0.910 186 V CB 2.368 34.233 31.823 0.069 0.000 1.008 186 V HN -0.069 nan 8.190 nan 0.000 0.424 187 V N 3.662 123.636 119.914 0.100 0.000 2.461 187 V HA 0.506 4.639 4.120 0.023 0.000 0.275 187 V C 0.598 176.740 176.094 0.081 0.000 1.047 187 V CA -0.133 62.197 62.300 0.049 0.000 0.955 187 V CB 1.451 33.309 31.823 0.058 0.000 0.988 187 V HN 1.059 nan 8.190 nan 0.000 0.471 188 T N 3.383 117.977 114.554 0.067 0.000 2.888 188 T HA 0.832 5.196 4.350 0.023 0.000 0.284 188 T C -0.716 174.033 174.700 0.082 0.000 1.017 188 T CA -0.661 61.519 62.100 0.133 0.000 1.022 188 T CB 1.663 70.630 68.868 0.164 0.000 1.013 188 T HN 0.363 nan 8.240 nan 0.000 0.465 189 I N 2.030 122.655 120.570 0.091 0.000 2.582 189 I HA 0.569 4.753 4.170 0.023 0.000 0.292 189 I C -1.360 174.832 176.117 0.126 0.000 1.066 189 I CA -1.064 60.191 61.300 -0.076 0.000 1.053 189 I CB 2.234 39.908 38.000 -0.544 0.000 1.241 189 I HN 0.628 nan 8.210 nan 0.000 0.421 190 F N 4.013 123.957 119.950 -0.010 0.000 2.507 190 F HA 0.605 5.145 4.527 0.022 0.000 0.325 190 F C -0.585 175.289 175.800 0.122 0.000 1.116 190 F CA -0.418 57.663 58.000 0.135 0.000 0.930 190 F CB 1.905 41.015 39.000 0.183 0.000 1.146 190 F HN 0.281 nan 8.300 nan 0.000 0.447 191 T N 4.273 118.536 114.554 -0.484 0.000 2.809 191 T HA 0.322 4.685 4.350 0.023 0.000 0.284 191 T C -0.539 173.807 174.700 -0.589 0.000 0.992 191 T CA -0.473 61.365 62.100 -0.438 0.000 0.957 191 T CB 1.298 70.112 68.868 -0.089 0.000 0.942 191 T HN 0.649 nan 8.240 nan 0.000 0.439 192 T N 2.094 116.362 114.554 -0.476 0.000 2.794 192 T HA 0.287 4.650 4.350 0.023 0.000 0.280 192 T C 0.571 175.280 174.700 0.015 0.000 0.987 192 T CA -0.601 61.421 62.100 -0.131 0.000 0.993 192 T CB 0.407 69.331 68.868 0.093 0.000 0.939 192 T HN 0.664 nan 8.240 nan 0.000 0.449 193 H N 2.752 121.891 119.070 0.114 0.000 2.520 193 H HA 0.551 5.121 4.556 0.023 0.000 0.284 193 H C 0.634 176.082 175.328 0.200 0.000 1.037 193 H CA -0.040 56.100 56.048 0.154 0.000 1.168 193 H CB 0.589 30.468 29.762 0.194 0.000 1.497 193 H HN 0.726 nan 8.280 nan 0.000 0.547 194 A N 0.486 123.494 122.820 0.314 0.000 2.462 194 A HA 0.409 4.742 4.320 0.023 0.000 0.299 194 A C -0.833 176.964 177.584 0.355 0.000 1.047 194 A CA -0.258 51.982 52.037 0.338 0.000 0.581 194 A CB 0.739 19.972 19.000 0.389 0.000 1.466 194 A HN 0.146 nan 8.150 nan 0.000 0.616 195 T N -1.631 113.155 114.554 0.387 0.000 2.909 195 T HA 0.607 4.971 4.350 0.023 0.000 0.299 195 T C 0.726 175.583 174.700 0.262 0.000 1.073 195 T CA -0.259 62.041 62.100 0.333 0.000 0.999 195 T CB 1.028 70.100 68.868 0.340 0.000 1.098 195 T HN 0.725 nan 8.240 nan 0.000 0.477 196 L N 1.280 122.619 121.223 0.193 0.000 2.017 196 L HA 0.002 4.356 4.340 0.023 0.000 0.208 196 L C 2.622 179.568 176.870 0.126 0.000 1.073 196 L CA 1.258 56.174 54.840 0.126 0.000 0.745 196 L CB -0.502 41.509 42.059 -0.080 0.000 0.894 196 L HN 0.678 nan 8.230 nan 0.000 0.432 197 L N -0.802 120.480 121.223 0.098 0.000 2.131 197 L HA -0.139 4.214 4.340 0.023 0.000 0.210 197 L C 2.603 179.473 176.870 -0.000 0.000 1.092 197 L CA 1.198 56.052 54.840 0.022 0.000 0.759 197 L CB -1.073 41.022 42.059 0.060 0.000 0.903 197 L HN 0.354 nan 8.230 nan 0.000 0.435 198 G N -0.081 108.758 108.800 0.065 0.000 2.433 198 G HA2 -0.235 3.739 3.960 0.023 0.000 0.216 198 G HA3 -0.235 3.739 3.960 0.023 0.000 0.216 198 G C 1.697 176.150 174.900 -0.745 0.000 1.186 198 G CA 0.348 45.351 45.100 -0.161 0.000 0.779 198 G HN 0.252 nan 8.290 nan 0.000 0.543 199 R N -0.721 119.485 120.500 -0.490 0.000 2.083 199 R HA -0.086 4.268 4.340 0.023 0.000 0.237 199 R C 2.374 178.333 176.300 -0.569 0.000 1.137 199 R CA 1.445 57.194 56.100 -0.585 0.000 0.951 199 R CB -0.669 29.487 30.300 -0.240 0.000 0.851 199 R HN 0.493 nan 8.270 nan 0.000 0.434 200 Y N 0.995 120.971 120.300 -0.540 0.000 2.220 200 Y HA -0.087 4.476 4.550 0.021 0.000 0.291 200 Y C 2.354 177.755 175.900 -0.832 0.000 1.129 200 Y CA 0.935 58.558 58.100 -0.795 0.000 1.161 200 Y CB -0.215 37.540 38.460 -1.175 0.000 0.997 200 Y HN -0.045 nan 8.280 nan 0.000 0.522 201 L N -1.757 119.185 121.223 -0.468 0.000 2.275 201 L HA -0.242 4.111 4.340 0.023 0.000 0.215 201 L C 1.640 178.415 176.870 -0.158 0.000 1.119 201 L CA 0.672 55.359 54.840 -0.255 0.000 0.790 201 L CB -0.375 41.639 42.059 -0.075 0.000 0.919 201 L HN 0.342 nan 8.230 nan 0.000 0.443 202 C N -1.085 117.993 119.300 -0.370 0.000 2.791 202 C HA 0.249 4.723 4.460 0.023 0.000 0.270 202 C C 2.774 177.682 174.990 -0.137 0.000 1.257 202 C CA 0.067 58.935 59.018 -0.249 0.000 1.699 202 C CB -0.635 26.788 27.740 -0.529 0.000 1.904 202 C HN 0.542 nan 8.230 nan 0.000 0.603 203 A N 1.650 124.358 122.820 -0.186 0.000 1.930 203 A HA -0.140 4.194 4.320 0.023 0.000 0.217 203 A C 2.304 179.874 177.584 -0.024 0.000 1.175 203 A CA 2.252 54.210 52.037 -0.132 0.000 0.627 203 A CB -0.613 18.262 19.000 -0.209 0.000 0.815 203 A HN 0.652 nan 8.150 nan 0.000 0.443 204 S N -1.951 113.766 115.700 0.027 0.000 2.414 204 S HA 0.312 4.796 4.470 0.023 0.000 0.227 204 S C 1.622 176.261 174.600 0.064 0.000 1.022 204 S CA 1.336 59.575 58.200 0.064 0.000 0.958 204 S CB -0.459 62.803 63.200 0.103 0.000 0.797 204 S HN 1.948 nan 8.310 nan 0.000 0.493 205 G N 0.652 109.490 108.800 0.063 0.000 2.157 205 G HA2 -0.291 3.683 3.960 0.023 0.000 0.248 205 G HA3 -0.291 3.683 3.960 0.023 0.000 0.248 205 G C 0.890 175.812 174.900 0.036 0.000 0.979 205 G CA 0.803 45.920 45.100 0.027 0.000 0.650 205 G HN 1.259 nan 8.290 nan 0.000 0.529 206 S N -1.296 114.466 115.700 0.104 0.000 2.497 206 S HA 0.479 4.963 4.470 0.023 0.000 0.221 206 S C 0.721 175.434 174.600 0.189 0.000 1.037 206 S CA 0.051 58.323 58.200 0.120 0.000 0.920 206 S CB 0.283 63.559 63.200 0.127 0.000 0.800 206 S HN 0.820 nan 8.310 nan 0.000 0.505 207 F N 4.226 124.227 119.950 0.085 0.000 2.504 207 F HA 0.371 4.912 4.527 0.024 0.000 0.369 207 F C 0.328 176.241 175.800 0.188 0.000 1.082 207 F CA -1.455 56.628 58.000 0.139 0.000 1.216 207 F CB 0.614 39.719 39.000 0.175 0.000 1.108 207 F HN -0.003 nan 8.300 nan 0.000 0.554 208 D N 6.624 126.780 120.400 -0.407 0.000 2.671 208 D HA -0.080 4.573 4.640 0.023 0.000 0.228 208 D C 1.353 177.426 176.300 -0.378 0.000 1.102 208 D CA 0.230 54.079 54.000 -0.252 0.000 1.044 208 D CB -0.816 39.866 40.800 -0.198 0.000 1.113 208 D HN 0.605 nan 8.370 nan 0.000 0.480 209 F N 1.450 121.246 119.950 -0.256 0.000 2.043 209 F HA -0.340 4.201 4.527 0.023 0.000 0.297 209 F C 1.096 176.769 175.800 -0.212 0.000 1.118 209 F CA 1.575 59.445 58.000 -0.217 0.000 1.202 209 F CB -0.102 38.795 39.000 -0.172 0.000 0.965 209 F HN 0.262 nan 8.300 nan 0.000 0.482 210 Y N 0.063 120.356 120.300 -0.011 0.000 2.616 210 Y HA -0.071 4.493 4.550 0.023 0.000 0.296 210 Y C 1.700 177.554 175.900 -0.077 0.000 1.154 210 Y CA 0.703 58.739 58.100 -0.106 0.000 1.325 210 Y CB -0.615 37.779 38.460 -0.110 0.000 1.007 210 Y HN 0.180 nan 8.280 nan 0.000 0.542 211 N N -2.537 116.161 118.700 -0.003 0.000 2.348 211 N HA 0.046 4.800 4.740 0.023 0.000 0.183 211 N C 0.716 176.191 175.510 -0.059 0.000 1.094 211 N CA 0.579 53.625 53.050 -0.007 0.000 0.885 211 N CB 0.135 38.621 38.487 -0.002 0.000 1.065 211 N HN 0.221 nan 8.380 nan 0.000 0.472 212 C N 0.637 119.837 119.300 -0.166 0.000 3.336 212 C HA 0.270 4.744 4.460 0.023 0.000 0.291 212 C C 2.160 177.157 174.990 0.012 0.000 1.363 212 C CA -0.610 58.342 59.018 -0.109 0.000 1.737 212 C CB -0.910 26.680 27.740 -0.251 0.000 2.274 212 C HN 0.357 nan 8.230 nan 0.000 0.663 213 L N 0.806 121.964 121.223 -0.109 0.000 2.240 213 L HA 0.190 4.543 4.340 0.023 0.000 0.211 213 L C 1.825 178.605 176.870 -0.151 0.000 1.106 213 L CA 1.871 56.644 54.840 -0.112 0.000 0.793 213 L CB -1.206 40.553 42.059 -0.500 0.000 0.927 213 L HN 0.172 nan 8.230 nan 0.000 0.446 214 E N 0.502 120.553 120.200 -0.248 0.000 2.401 214 E HA -0.117 4.247 4.350 0.023 0.000 0.199 214 E C 1.541 178.144 176.600 0.005 0.000 1.023 214 E CA 1.003 57.253 56.400 -0.250 0.000 0.859 214 E CB -0.038 29.500 29.700 -0.270 0.000 0.780 214 E HN 0.777 nan 8.360 nan 0.000 0.523 215 S N -0.392 115.326 115.700 0.030 0.000 2.730 215 S HA 0.092 4.576 4.470 0.023 0.000 0.244 215 S C 0.456 175.110 174.600 0.090 0.000 1.022 215 S CA -0.513 57.727 58.200 0.067 0.000 1.014 215 S CB 0.079 63.316 63.200 0.062 0.000 0.963 215 S HN 0.084 nan 8.310 nan 0.000 0.540 216 V N 0.654 120.633 119.914 0.108 0.000 2.775 216 V HA 0.490 4.623 4.120 0.023 0.000 0.299 216 V C -0.184 175.953 176.094 0.072 0.000 1.062 216 V CA -0.424 61.942 62.300 0.110 0.000 1.063 216 V CB 1.057 32.956 31.823 0.127 0.000 0.994 216 V HN 0.293 nan 8.190 nan 0.000 0.483 217 D N 3.691 124.124 120.400 0.055 0.000 2.441 217 D HA 0.228 4.881 4.640 0.023 0.000 0.221 217 D C 1.111 177.436 176.300 0.042 0.000 1.156 217 D CA 0.172 54.198 54.000 0.044 0.000 0.896 217 D CB 1.261 42.068 40.800 0.011 0.000 1.028 217 D HN 0.660 nan 8.370 nan 0.000 0.509 218 V N 2.133 122.053 119.914 0.009 0.000 2.252 218 V HA -0.234 3.900 4.120 0.023 0.000 0.249 218 V C 1.554 177.535 176.094 -0.189 0.000 1.056 218 V CA 1.614 63.845 62.300 -0.114 0.000 1.022 218 V CB -0.468 31.300 31.823 -0.091 0.000 0.641 218 V HN 0.337 nan 8.190 nan 0.000 0.445 219 D N -0.833 119.544 120.400 -0.038 0.000 2.144 219 D HA -0.177 4.477 4.640 0.023 0.000 0.199 219 D C 2.119 178.441 176.300 0.037 0.000 0.984 219 D CA 1.863 55.895 54.000 0.053 0.000 0.834 219 D CB -0.500 40.385 40.800 0.142 0.000 0.955 219 D HN 0.746 nan 8.370 nan 0.000 0.465 220 H N 1.134 120.170 119.070 -0.056 0.000 2.293 220 H HA -0.089 4.481 4.556 0.024 0.000 0.300 220 H C 1.582 176.848 175.328 -0.104 0.000 1.082 220 H CA 1.263 57.267 56.048 -0.075 0.000 1.308 220 H CB 0.525 30.248 29.762 -0.066 0.000 1.375 220 H HN 0.017 nan 8.280 nan 0.000 0.495 221 E N 0.569 120.732 120.200 -0.063 0.000 2.153 221 E HA -0.092 4.272 4.350 0.023 0.000 0.194 221 E C 2.287 178.847 176.600 -0.066 0.000 0.988 221 E CA 0.817 57.157 56.400 -0.100 0.000 0.811 221 E CB -0.387 29.331 29.700 0.030 0.000 0.746 221 E HN 0.541 nan 8.360 nan 0.000 0.466 222 A N 0.999 123.740 122.820 -0.131 0.000 1.969 222 A HA -0.016 4.317 4.320 0.023 0.000 0.218 222 A C 2.444 180.005 177.584 -0.039 0.000 1.169 222 A CA 1.684 53.644 52.037 -0.128 0.000 0.635 222 A CB -0.827 18.014 19.000 -0.265 0.000 0.810 222 A HN 0.326 nan 8.150 nan 0.000 0.445 223 G N -0.584 108.174 108.800 -0.069 0.000 2.394 223 G HA2 -0.199 3.775 3.960 0.023 0.000 0.215 223 G HA3 -0.199 3.775 3.960 0.023 0.000 0.215 223 G C 1.699 176.480 174.900 -0.198 0.000 1.165 223 G CA 0.883 45.918 45.100 -0.108 0.000 0.784 223 G HN 0.547 nan 8.290 nan 0.000 0.535 224 R N -0.665 119.622 120.500 -0.356 0.000 2.105 224 R HA -0.044 4.310 4.340 0.023 0.000 0.239 224 R C 1.672 177.705 176.300 -0.445 0.000 1.135 224 R CA 1.244 57.058 56.100 -0.477 0.000 0.967 224 R CB -0.328 29.555 30.300 -0.695 0.000 0.861 224 R HN 0.365 nan 8.270 nan 0.000 0.442 225 F N -0.268 119.567 119.950 -0.192 0.000 2.765 225 F HA 0.307 4.847 4.527 0.021 0.000 0.302 225 F C 1.526 177.205 175.800 -0.203 0.000 1.111 225 F CA 0.661 58.541 58.000 -0.199 0.000 1.359 225 F CB 0.601 39.392 39.000 -0.349 0.000 1.097 225 F HN 0.295 nan 8.300 nan 0.000 0.577 226 G N 1.625 110.416 108.800 -0.014 0.000 2.179 226 G HA2 -0.328 3.645 3.960 0.023 0.000 0.257 226 G HA3 -0.328 3.645 3.960 0.023 0.000 0.257 226 G C 0.705 175.615 174.900 0.017 0.000 1.010 226 G CA 0.632 45.745 45.100 0.021 0.000 0.736 226 G HN 0.612 nan 8.290 nan 0.000 0.513 227 I N -3.856 116.649 120.570 -0.108 0.000 3.707 227 I HA 0.491 4.674 4.170 0.023 0.000 0.330 227 I C 1.553 177.516 176.117 -0.255 0.000 1.572 227 I CA -0.806 60.312 61.300 -0.302 0.000 1.104 227 I CB -0.127 37.549 38.000 -0.540 0.000 1.240 227 I HN 0.043 nan 8.210 nan 0.000 0.475 228 Y N 3.365 123.607 120.300 -0.097 0.000 2.165 228 Y HA -0.348 4.214 4.550 0.021 0.000 0.286 228 Y C 2.888 178.808 175.900 0.032 0.000 1.155 228 Y CA 2.529 60.629 58.100 -0.001 0.000 1.164 228 Y CB -0.264 38.231 38.460 0.058 0.000 0.978 228 Y HN 0.537 nan 8.280 nan 0.000 0.513 229 H N -0.662 118.410 119.070 0.003 0.000 2.389 229 H HA -0.057 4.513 4.556 0.023 0.000 0.299 229 H C 2.066 177.301 175.328 -0.155 0.000 1.081 229 H CA 1.616 57.633 56.048 -0.051 0.000 1.345 229 H CB -0.757 29.058 29.762 0.088 0.000 1.393 229 H HN 0.347 nan 8.280 nan 0.000 0.520 230 R N -0.037 120.036 120.500 -0.712 0.000 2.075 230 R HA -0.147 4.207 4.340 0.023 0.000 0.232 230 R C 2.399 178.312 176.300 -0.646 0.000 1.126 230 R CA 1.431 57.059 56.100 -0.786 0.000 0.963 230 R CB -0.641 28.978 30.300 -1.135 0.000 0.858 230 R HN 0.323 nan 8.270 nan 0.000 0.435 231 Y N 1.157 121.096 120.300 -0.602 0.000 2.165 231 Y HA -0.302 4.261 4.550 0.022 0.000 0.286 231 Y C 2.283 177.964 175.900 -0.365 0.000 1.155 231 Y CA 1.115 58.949 58.100 -0.444 0.000 1.164 231 Y CB -0.437 37.806 38.460 -0.362 0.000 0.978 231 Y HN 0.038 nan 8.280 nan 0.000 0.513 232 C N 0.250 119.253 119.300 -0.495 0.000 2.425 232 C HA -0.178 4.296 4.460 0.023 0.000 0.277 232 C C 2.763 177.535 174.990 -0.364 0.000 1.280 232 C CA 1.269 60.001 59.018 -0.477 0.000 1.744 232 C CB -1.402 26.096 27.740 -0.404 0.000 1.989 232 C HN 0.630 nan 8.230 nan 0.000 0.491 233 I N 0.634 121.053 120.570 -0.251 0.000 2.142 233 I HA -0.229 3.954 4.170 0.023 0.000 0.240 233 I C 2.672 178.682 176.117 -0.178 0.000 1.078 233 I CA 1.824 63.047 61.300 -0.129 0.000 1.343 233 I CB -0.654 37.417 38.000 0.119 0.000 1.046 233 I HN 0.415 nan 8.210 nan 0.000 0.405 234 E N 1.047 121.143 120.200 -0.173 0.000 2.085 234 E HA -0.298 4.065 4.350 0.023 0.000 0.194 234 E C 2.384 178.823 176.600 -0.267 0.000 0.994 234 E CA 1.384 57.728 56.400 -0.093 0.000 0.801 234 E CB -0.006 29.650 29.700 -0.074 0.000 0.743 234 E HN 0.280 nan 8.360 nan 0.000 0.453 235 R N -0.243 119.977 120.500 -0.466 0.000 2.073 235 R HA -0.067 4.286 4.340 0.023 0.000 0.229 235 R C 2.235 178.392 176.300 -0.238 0.000 1.120 235 R CA 1.118 56.974 56.100 -0.407 0.000 0.967 235 R CB -0.214 29.721 30.300 -0.609 0.000 0.862 235 R HN 0.184 nan 8.270 nan 0.000 0.436 236 A N 0.963 123.607 122.820 -0.292 0.000 1.877 236 A HA -0.114 4.219 4.320 0.023 0.000 0.216 236 A C 2.375 179.755 177.584 -0.339 0.000 1.186 236 A CA 1.694 53.576 52.037 -0.258 0.000 0.620 236 A CB -0.876 17.968 19.000 -0.259 0.000 0.822 236 A HN 0.523 nan 8.150 nan 0.000 0.443 237 A N -0.064 122.453 122.820 -0.505 0.000 1.917 237 A HA 0.056 4.390 4.320 0.023 0.000 0.219 237 A C 2.494 179.612 177.584 -0.776 0.000 1.182 237 A CA 2.416 53.950 52.037 -0.837 0.000 0.633 237 A CB -1.072 17.058 19.000 -1.449 0.000 0.819 237 A HN 1.175 nan 8.150 nan 0.000 0.448 238 A N -1.608 120.821 122.820 -0.651 0.000 2.015 238 A HA -0.097 4.236 4.320 0.023 0.000 0.219 238 A C 1.896 179.052 177.584 -0.713 0.000 1.163 238 A CA 1.857 53.447 52.037 -0.746 0.000 0.646 238 A CB -0.657 17.704 19.000 -1.065 0.000 0.806 238 A HN 0.723 nan 8.150 nan 0.000 0.448 239 H N -1.409 117.419 119.070 -0.404 0.000 2.486 239 H HA 0.116 4.685 4.556 0.022 0.000 0.287 239 H C 2.282 177.482 175.328 -0.212 0.000 1.010 239 H CA 1.154 57.034 56.048 -0.280 0.000 1.324 239 H CB 0.389 30.005 29.762 -0.244 0.000 1.446 239 H HN 0.463 nan 8.280 nan 0.000 0.537 240 S N 0.342 115.965 115.700 -0.128 0.000 2.461 240 S HA 0.123 4.606 4.470 0.023 0.000 0.228 240 S C 1.198 175.733 174.600 -0.108 0.000 1.005 240 S CA 0.337 58.457 58.200 -0.133 0.000 0.942 240 S CB 0.049 63.134 63.200 -0.192 0.000 0.776 240 S HN 0.433 nan 8.310 nan 0.000 0.514 241 A N 1.955 124.716 122.820 -0.099 0.000 2.425 241 A HA 0.198 4.532 4.320 0.023 0.000 0.249 241 A C 0.879 178.461 177.584 -0.003 0.000 1.084 241 A CA -0.401 51.628 52.037 -0.013 0.000 0.781 241 A CB 0.175 19.234 19.000 0.098 0.000 1.019 241 A HN 0.161 nan 8.150 nan 0.000 0.490 242 D N 0.480 120.879 120.400 -0.002 0.000 2.178 242 D HA -0.035 4.618 4.640 0.023 0.000 0.202 242 D C 0.160 176.456 176.300 -0.006 0.000 0.974 242 D CA 1.574 55.561 54.000 -0.022 0.000 0.841 242 D CB 0.119 40.895 40.800 -0.040 0.000 0.953 242 D HN 0.265 nan 8.370 nan 0.000 0.478 243 V N 1.016 120.940 119.914 0.016 0.000 2.638 243 V HA 0.286 4.419 4.120 0.023 0.000 0.306 243 V C -0.847 175.319 176.094 0.121 0.000 1.052 243 V CA -0.983 61.332 62.300 0.025 0.000 0.885 243 V CB 2.395 34.191 31.823 -0.046 0.000 0.999 243 V HN -0.108 nan 8.190 nan 0.000 0.424 244 F N 4.416 124.338 119.950 -0.047 0.000 2.467 244 F HA 0.813 5.354 4.527 0.022 0.000 0.336 244 F C 0.142 175.903 175.800 -0.064 0.000 1.123 244 F CA -0.513 57.477 58.000 -0.017 0.000 0.964 244 F CB 1.704 40.698 39.000 -0.010 0.000 1.136 244 F HN 0.646 nan 8.300 nan 0.000 0.447 245 T N 1.685 115.941 114.554 -0.497 0.000 2.906 245 T HA 0.810 5.173 4.350 0.023 0.000 0.295 245 T C -0.337 173.978 174.700 -0.641 0.000 1.061 245 T CA -0.476 61.294 62.100 -0.550 0.000 1.000 245 T CB 1.713 70.379 68.868 -0.336 0.000 1.103 245 T HN 0.761 nan 8.240 nan 0.000 0.486 246 T N -1.743 112.522 114.554 -0.482 0.000 2.910 246 T HA 0.574 4.937 4.350 0.023 0.000 0.287 246 T C 1.259 175.793 174.700 -0.278 0.000 1.050 246 T CA -0.173 61.720 62.100 -0.345 0.000 1.011 246 T CB 1.141 69.870 68.868 -0.232 0.000 1.195 246 T HN 1.209 nan 8.240 nan 0.000 0.540 247 V N -1.265 118.505 119.914 -0.240 0.000 3.649 247 V HA 0.423 4.557 4.120 0.023 0.000 0.275 247 V C 0.484 176.528 176.094 -0.083 0.000 1.281 247 V CA 0.494 62.649 62.300 -0.241 0.000 1.143 247 V CB -1.549 30.110 31.823 -0.274 0.000 0.892 247 V HN 1.216 nan 8.190 nan 0.000 0.441 248 S N -2.493 113.201 115.700 -0.011 0.000 2.567 248 S HA 0.373 4.857 4.470 0.023 0.000 0.270 248 S C 0.111 174.752 174.600 0.068 0.000 1.152 248 S CA -0.559 57.693 58.200 0.087 0.000 0.835 248 S CB 1.803 65.106 63.200 0.171 0.000 1.115 248 S HN -0.016 nan 8.310 nan 0.000 0.459 249 Q N 0.315 120.167 119.800 0.087 0.000 2.135 249 Q HA -0.055 4.299 4.340 0.023 0.000 0.204 249 Q C 1.819 177.889 176.000 0.116 0.000 0.981 249 Q CA 1.712 57.564 55.803 0.082 0.000 0.856 249 Q CB -0.554 28.222 28.738 0.065 0.000 0.902 249 Q HN 0.820 nan 8.270 nan 0.000 0.425 250 I N 0.445 121.075 120.570 0.100 0.000 2.226 250 I HA -0.219 3.965 4.170 0.023 0.000 0.245 250 I C 1.716 177.988 176.117 0.258 0.000 1.100 250 I CA 1.636 63.015 61.300 0.132 0.000 1.374 250 I CB -0.467 37.555 38.000 0.037 0.000 1.057 250 I HN 0.089 nan 8.210 nan 0.000 0.413 251 T N 0.795 115.461 114.554 0.188 0.000 2.951 251 T HA -0.002 4.361 4.350 0.023 0.000 0.268 251 T C 1.968 176.786 174.700 0.197 0.000 1.073 251 T CA 1.051 63.275 62.100 0.206 0.000 1.134 251 T CB -0.515 68.427 68.868 0.122 0.000 0.884 251 T HN 0.473 nan 8.240 nan 0.000 0.479 252 A N 1.129 124.036 122.820 0.145 0.000 1.933 252 A HA -0.034 4.299 4.320 0.023 0.000 0.218 252 A C 1.956 179.676 177.584 0.227 0.000 1.175 252 A CA 1.190 53.295 52.037 0.113 0.000 0.628 252 A CB -0.979 18.061 19.000 0.066 0.000 0.814 252 A HN 0.537 nan 8.150 nan 0.000 0.444 253 F N 1.502 121.541 119.950 0.149 0.000 2.046 253 F HA -0.266 4.274 4.527 0.023 0.000 0.297 253 F C 2.534 178.495 175.800 0.269 0.000 1.123 253 F CA 2.313 60.435 58.000 0.203 0.000 1.199 253 F CB -0.216 38.881 39.000 0.162 0.000 0.972 253 F HN 0.510 nan 8.300 nan 0.000 0.474 254 E N 0.574 120.881 120.200 0.179 0.000 2.150 254 E HA -0.147 4.216 4.350 0.023 0.000 0.193 254 E C 2.132 178.837 176.600 0.174 0.000 0.985 254 E CA 0.945 57.404 56.400 0.098 0.000 0.814 254 E CB -0.597 29.341 29.700 0.398 0.000 0.752 254 E HN 0.441 nan 8.360 nan 0.000 0.466 255 A N 1.814 124.767 122.820 0.223 0.000 1.902 255 A HA -0.246 4.088 4.320 0.023 0.000 0.217 255 A C 2.173 179.897 177.584 0.233 0.000 1.181 255 A CA 1.607 53.809 52.037 0.275 0.000 0.623 255 A CB -0.609 18.558 19.000 0.279 0.000 0.818 255 A HN 0.463 nan 8.150 nan 0.000 0.443 256 E N -1.054 119.235 120.200 0.149 0.000 2.077 256 E HA -0.264 4.100 4.350 0.023 0.000 0.193 256 E C 1.705 178.246 176.600 -0.097 0.000 0.989 256 E CA 1.629 58.042 56.400 0.023 0.000 0.800 256 E CB -0.163 29.505 29.700 -0.054 0.000 0.746 256 E HN 0.803 nan 8.360 nan 0.000 0.452 257 H N -0.809 118.225 119.070 -0.060 0.000 2.497 257 H HA 0.158 4.728 4.556 0.022 0.000 0.282 257 H C 1.664 177.003 175.328 0.019 0.000 1.003 257 H CA 0.836 56.844 56.048 -0.066 0.000 1.307 257 H CB 0.379 30.012 29.762 -0.214 0.000 1.437 257 H HN 0.138 nan 8.280 nan 0.000 0.544 258 L N -0.534 120.797 121.223 0.181 0.000 2.408 258 L HA 0.118 4.471 4.340 0.023 0.000 0.215 258 L C 1.167 178.217 176.870 0.300 0.000 1.081 258 L CA 0.508 55.482 54.840 0.223 0.000 0.840 258 L CB 0.261 42.468 42.059 0.246 0.000 1.002 258 L HN 0.241 nan 8.230 nan 0.000 0.468 259 L N -0.881 120.479 121.223 0.227 0.000 2.664 259 L HA 0.146 4.500 4.340 0.023 0.000 0.233 259 L C 0.342 177.266 176.870 0.089 0.000 1.113 259 L CA -0.070 54.855 54.840 0.143 0.000 0.896 259 L CB 0.356 42.465 42.059 0.082 0.000 1.163 259 L HN 0.093 nan 8.230 nan 0.000 0.497 260 K N 0.987 121.447 120.400 0.099 0.000 3.251 260 K HA -0.167 4.166 4.320 0.023 0.000 0.282 260 K C -0.023 176.594 176.600 0.027 0.000 1.201 260 K CA 0.693 57.036 56.287 0.093 0.000 0.827 260 K CB -1.597 31.013 32.500 0.184 0.000 1.286 260 K HN 0.472 nan 8.250 nan 0.000 0.503 261 R N 0.405 120.867 120.500 -0.062 0.000 2.535 261 R HA 0.264 4.617 4.340 0.023 0.000 0.274 261 R C -1.140 175.234 176.300 0.124 0.000 1.090 261 R CA -0.784 55.268 56.100 -0.081 0.000 0.930 261 R CB 1.413 31.454 30.300 -0.431 0.000 1.223 261 R HN 0.073 nan 8.270 nan 0.000 0.441 262 K N 5.136 125.592 120.400 0.093 0.000 2.349 262 K HA 0.249 4.583 4.320 0.023 0.000 0.289 262 K C -2.173 174.522 176.600 0.158 0.000 1.064 262 K CA -1.689 54.663 56.287 0.108 0.000 0.947 262 K CB 0.811 33.340 32.500 0.048 0.000 1.007 262 K HN 0.340 nan 8.250 nan 0.000 0.478 263 P HA -0.051 nan 4.420 nan 0.000 0.266 263 P C -0.405 176.859 177.300 -0.060 0.000 1.195 263 P CA 0.032 63.048 63.100 -0.140 0.000 0.768 263 P CB 0.558 32.025 31.700 -0.389 0.000 0.838 264 D N 0.872 121.237 120.400 -0.058 0.000 2.347 264 D HA 0.089 4.743 4.640 0.023 0.000 0.215 264 D C 1.125 177.387 176.300 -0.063 0.000 0.976 264 D CA 1.053 55.031 54.000 -0.037 0.000 0.884 264 D CB 0.271 41.057 40.800 -0.024 0.000 0.915 264 D HN 0.566 nan 8.370 nan 0.000 0.526 265 G N -0.223 108.512 108.800 -0.109 0.000 2.322 265 G HA2 0.318 4.291 3.960 0.023 0.000 0.295 265 G HA3 0.318 4.291 3.960 0.023 0.000 0.295 265 G C -1.785 173.035 174.900 -0.133 0.000 1.369 265 G CA -0.769 44.276 45.100 -0.093 0.000 0.821 265 G HN -0.084 nan 8.290 nan 0.000 0.536 266 I N 0.586 121.101 120.570 -0.091 0.000 2.412 266 I HA 0.472 4.656 4.170 0.023 0.000 0.296 266 I C -0.084 175.961 176.117 -0.120 0.000 0.987 266 I CA -0.879 60.362 61.300 -0.100 0.000 1.180 266 I CB 1.290 39.278 38.000 -0.021 0.000 1.340 266 I HN 0.372 nan 8.210 nan 0.000 0.455 267 L N 7.377 128.487 121.223 -0.187 0.000 2.506 267 L HA 0.334 4.688 4.340 0.023 0.000 0.247 267 L C -2.308 174.429 176.870 -0.221 0.000 1.141 267 L CA -1.539 53.187 54.840 -0.190 0.000 0.973 267 L CB 0.857 42.700 42.059 -0.360 0.000 1.319 267 L HN 0.257 nan 8.230 nan 0.000 0.455 268 P HA 0.003 nan 4.420 nan 0.000 0.267 268 P C -0.581 176.170 177.300 -0.915 0.000 1.200 268 P CA -0.082 62.558 63.100 -0.766 0.000 0.772 268 P CB 0.454 31.602 31.700 -0.921 0.000 0.855 269 N N 0.975 118.728 118.700 -1.579 0.000 2.470 269 N HA 0.278 5.032 4.740 0.023 0.000 0.268 269 N C 0.643 175.417 175.510 -1.227 0.000 1.136 269 N CA 0.276 52.611 53.050 -1.190 0.000 0.961 269 N CB 0.622 38.349 38.487 -1.268 0.000 1.067 269 N HN 0.448 nan 8.380 nan 0.000 0.468 270 G N 0.898 108.641 108.800 -1.761 0.000 2.511 270 G HA2 0.700 4.674 3.960 0.023 0.000 0.316 270 G HA3 0.700 4.674 3.960 0.023 0.000 0.316 270 G C -0.515 173.619 174.900 -1.276 0.000 1.210 270 G CA -0.478 43.466 45.100 -1.926 0.000 0.969 270 G HN 0.409 nan 8.290 nan 0.000 0.492 271 L N -0.371 120.378 121.223 -0.791 0.000 2.354 271 L HA 0.352 4.705 4.340 0.023 0.000 0.264 271 L C -0.523 176.294 176.870 -0.088 0.000 1.008 271 L CA -1.071 53.612 54.840 -0.261 0.000 0.819 271 L CB 2.417 44.419 42.059 -0.095 0.000 1.339 271 L HN 0.439 nan 8.230 nan 0.000 0.420 272 N N 1.191 119.951 118.700 0.099 0.000 2.807 272 N HA 0.191 4.945 4.740 0.023 0.000 0.259 272 N C -0.956 174.558 175.510 0.007 0.000 1.149 272 N CA -0.214 52.898 53.050 0.103 0.000 1.042 272 N CB 0.382 38.925 38.487 0.092 0.000 1.367 272 N HN 0.242 nan 8.380 nan 0.000 0.516 273 V N 3.889 123.793 119.914 -0.017 0.000 2.439 273 V HA 0.083 4.217 4.120 0.023 0.000 0.271 273 V C 0.556 176.604 176.094 -0.077 0.000 1.040 273 V CA -0.535 61.734 62.300 -0.050 0.000 1.002 273 V CB 0.131 31.925 31.823 -0.047 0.000 1.000 273 V HN 0.445 nan 8.190 nan 0.000 0.477 274 I N 7.572 128.068 120.570 -0.123 0.000 2.301 274 I HA 0.333 4.516 4.170 0.023 0.000 0.292 274 I C 0.344 176.289 176.117 -0.288 0.000 1.046 274 I CA -0.214 60.977 61.300 -0.181 0.000 1.282 274 I CB 0.211 38.091 38.000 -0.199 0.000 1.409 274 I HN 0.457 nan 8.210 nan 0.000 0.484 275 K N 6.271 126.544 120.400 -0.212 0.000 2.098 275 K HA 0.310 4.644 4.320 0.023 0.000 0.257 275 K C -0.608 175.834 176.600 -0.263 0.000 0.999 275 K CA -0.351 55.821 56.287 -0.192 0.000 0.924 275 K CB 0.737 33.218 32.500 -0.032 0.000 1.028 275 K HN 0.342 nan 8.250 nan 0.000 0.466 276 F N 0.928 120.876 119.950 -0.005 0.000 2.371 276 F HA 0.076 4.617 4.527 0.023 0.000 0.329 276 F C 2.221 178.027 175.800 0.008 0.000 1.107 276 F CA -0.062 57.934 58.000 -0.007 0.000 1.137 276 F CB 0.719 39.705 39.000 -0.024 0.000 1.214 276 F HN 0.594 nan 8.300 nan 0.000 0.536 277 Q N 1.699 121.622 119.800 0.205 0.000 2.061 277 Q HA -0.072 4.282 4.340 0.023 0.000 0.204 277 Q C 0.203 176.273 176.000 0.117 0.000 0.984 277 Q CA 1.490 57.366 55.803 0.122 0.000 0.846 277 Q CB -0.017 28.775 28.738 0.090 0.000 0.902 277 Q HN 0.696 nan 8.270 nan 0.000 0.421 278 A N -0.264 122.594 122.820 0.064 0.000 2.260 278 A HA 0.236 4.570 4.320 0.023 0.000 0.308 278 A C 0.124 177.698 177.584 -0.016 0.000 1.254 278 A CA -0.531 51.479 52.037 -0.044 0.000 0.874 278 A CB 0.071 18.872 19.000 -0.332 0.000 1.153 278 A HN 0.570 nan 8.150 nan 0.000 0.527 279 F N 3.565 123.538 119.950 0.038 0.000 2.202 279 F HA -0.260 4.281 4.527 0.023 0.000 0.301 279 F C 2.258 178.212 175.800 0.256 0.000 1.082 279 F CA 2.569 60.671 58.000 0.170 0.000 1.313 279 F CB 0.068 39.187 39.000 0.198 0.000 1.024 279 F HN 0.830 nan 8.300 nan 0.000 0.495 280 H N -1.469 117.691 119.070 0.149 0.000 2.551 280 H HA 0.052 4.622 4.556 0.023 0.000 0.266 280 H C 1.750 176.962 175.328 -0.193 0.000 0.977 280 H CA 0.942 56.962 56.048 -0.046 0.000 1.163 280 H CB -0.553 29.231 29.762 0.036 0.000 1.381 280 H HN 0.362 nan 8.280 nan 0.000 0.581 281 E N 2.441 122.376 120.200 -0.441 0.000 2.118 281 E HA -0.199 4.164 4.350 0.023 0.000 0.195 281 E C 2.008 178.335 176.600 -0.455 0.000 0.992 281 E CA 1.651 57.766 56.400 -0.474 0.000 0.804 281 E CB -0.806 28.514 29.700 -0.634 0.000 0.741 281 E HN 0.615 nan 8.360 nan 0.000 0.458 282 F N 0.123 119.790 119.950 -0.472 0.000 2.269 282 F HA -0.076 4.464 4.527 0.023 0.000 0.301 282 F C 1.884 177.592 175.800 -0.153 0.000 1.082 282 F CA 0.903 58.721 58.000 -0.303 0.000 1.360 282 F CB -0.381 38.532 39.000 -0.146 0.000 1.041 282 F HN -0.033 nan 8.300 nan 0.000 0.512 283 Q N 1.198 120.395 119.800 -1.006 0.000 2.079 283 Q HA -0.135 4.219 4.340 0.023 0.000 0.200 283 Q C 1.774 177.627 176.000 -0.244 0.000 0.974 283 Q CA 1.314 56.716 55.803 -0.669 0.000 0.840 283 Q CB -0.585 27.807 28.738 -0.577 0.000 0.898 283 Q HN 0.510 nan 8.270 nan 0.000 0.430 284 N N 1.014 119.588 118.700 -0.210 0.000 2.084 284 N HA -0.099 4.655 4.740 0.023 0.000 0.190 284 N C 2.024 177.459 175.510 -0.125 0.000 1.030 284 N CA 0.816 53.791 53.050 -0.126 0.000 0.849 284 N CB -0.418 38.004 38.487 -0.110 0.000 1.012 284 N HN 0.195 nan 8.380 nan 0.000 0.423 285 L N 0.174 121.299 121.223 -0.163 0.000 2.079 285 L HA -0.223 4.130 4.340 0.023 0.000 0.210 285 L C 2.423 179.252 176.870 -0.067 0.000 1.081 285 L CA 1.377 56.147 54.840 -0.117 0.000 0.752 285 L CB -0.516 41.467 42.059 -0.126 0.000 0.896 285 L HN 0.315 nan 8.230 nan 0.000 0.433 286 H N -0.008 118.983 119.070 -0.131 0.000 2.353 286 H HA -0.151 4.419 4.556 0.022 0.000 0.300 286 H C 2.094 177.367 175.328 -0.092 0.000 1.090 286 H CA 1.688 57.669 56.048 -0.112 0.000 1.327 286 H CB 0.034 29.723 29.762 -0.121 0.000 1.383 286 H HN 0.266 nan 8.280 nan 0.000 0.508 287 A N 0.500 123.175 122.820 -0.242 0.000 1.933 287 A HA -0.068 4.266 4.320 0.023 0.000 0.218 287 A C 2.528 180.000 177.584 -0.186 0.000 1.175 287 A CA 1.502 53.396 52.037 -0.239 0.000 0.628 287 A CB -0.823 18.131 19.000 -0.077 0.000 0.814 287 A HN 0.482 nan 8.150 nan 0.000 0.444 288 L N -0.713 120.426 121.223 -0.139 0.000 2.044 288 L HA -0.136 4.218 4.340 0.023 0.000 0.205 288 L C 2.447 179.253 176.870 -0.108 0.000 1.075 288 L CA 1.191 55.972 54.840 -0.099 0.000 0.747 288 L CB -0.259 41.753 42.059 -0.078 0.000 0.903 288 L HN 0.156 nan 8.230 nan 0.000 0.435 289 K N 0.243 120.560 120.400 -0.139 0.000 2.097 289 K HA -0.175 4.159 4.320 0.023 0.000 0.205 289 K C 1.951 178.449 176.600 -0.170 0.000 1.050 289 K CA 1.067 57.271 56.287 -0.139 0.000 0.938 289 K CB -0.336 32.077 32.500 -0.145 0.000 0.718 289 K HN 0.228 nan 8.250 nan 0.000 0.442 290 K N 1.450 121.704 120.400 -0.243 0.000 2.103 290 K HA -0.212 4.122 4.320 0.023 0.000 0.207 290 K C 1.959 178.543 176.600 -0.027 0.000 1.048 290 K CA 1.554 57.735 56.287 -0.177 0.000 0.930 290 K CB 0.040 32.359 32.500 -0.301 0.000 0.716 290 K HN -0.053 nan 8.250 nan 0.000 0.444 291 E N 1.092 121.266 120.200 -0.042 0.000 2.110 291 E HA -0.167 4.197 4.350 0.023 0.000 0.193 291 E C 1.562 178.177 176.600 0.024 0.000 0.988 291 E CA 1.511 57.917 56.400 0.010 0.000 0.804 291 E CB 0.131 29.824 29.700 -0.011 0.000 0.745 291 E HN 0.199 nan 8.360 nan 0.000 0.458 292 K N 0.125 120.520 120.400 -0.008 0.000 2.057 292 K HA -0.096 4.238 4.320 0.023 0.000 0.207 292 K C 2.322 178.951 176.600 0.048 0.000 1.049 292 K CA 1.360 57.653 56.287 0.009 0.000 0.931 292 K CB -0.393 32.094 32.500 -0.021 0.000 0.714 292 K HN 0.308 nan 8.250 nan 0.000 0.440 293 I N 1.941 122.506 120.570 -0.008 0.000 2.179 293 I HA -0.298 3.886 4.170 0.023 0.000 0.242 293 I C 1.849 178.070 176.117 0.173 0.000 1.088 293 I CA 1.048 62.343 61.300 -0.008 0.000 1.357 293 I CB -0.553 37.216 38.000 -0.384 0.000 1.051 293 I HN 0.125 nan 8.210 nan 0.000 0.409 294 N N 1.136 119.954 118.700 0.196 0.000 2.060 294 N HA -0.225 4.528 4.740 0.023 0.000 0.195 294 N C 1.483 177.092 175.510 0.166 0.000 1.028 294 N CA 1.614 54.820 53.050 0.261 0.000 0.861 294 N CB -0.601 38.015 38.487 0.215 0.000 1.029 294 N HN 0.353 nan 8.380 nan 0.000 0.428 295 D N 0.025 120.501 120.400 0.126 0.000 2.106 295 D HA -0.164 4.489 4.640 0.023 0.000 0.191 295 D C 1.815 178.193 176.300 0.130 0.000 0.997 295 D CA 0.741 54.794 54.000 0.088 0.000 0.834 295 D CB -0.474 40.371 40.800 0.075 0.000 0.956 295 D HN 0.274 nan 8.370 nan 0.000 0.448 296 F N 1.540 121.543 119.950 0.088 0.000 2.134 296 F HA -0.203 4.338 4.527 0.023 0.000 0.299 296 F C 2.136 178.087 175.800 0.252 0.000 1.097 296 F CA 1.024 59.113 58.000 0.147 0.000 1.264 296 F CB -0.410 38.681 39.000 0.151 0.000 1.001 296 F HN -0.214 nan 8.300 nan 0.000 0.479 297 V N 1.411 121.344 119.914 0.031 0.000 2.343 297 V HA -0.288 3.845 4.120 0.023 0.000 0.247 297 V C 2.549 178.700 176.094 0.095 0.000 1.051 297 V CA 2.270 64.635 62.300 0.109 0.000 1.036 297 V CB -0.737 31.360 31.823 0.457 0.000 0.654 297 V HN 0.321 nan 8.190 nan 0.000 0.451 298 R N 0.119 120.553 120.500 -0.110 0.000 2.091 298 R HA -0.124 4.230 4.340 0.023 0.000 0.238 298 R C 2.487 178.692 176.300 -0.158 0.000 1.136 298 R CA 1.549 57.418 56.100 -0.385 0.000 0.959 298 R CB -0.875 29.154 30.300 -0.452 0.000 0.856 298 R HN 0.592 nan 8.270 nan 0.000 0.437 299 G N -0.113 108.635 108.800 -0.087 0.000 2.421 299 G HA2 -0.323 3.651 3.960 0.023 0.000 0.216 299 G HA3 -0.323 3.651 3.960 0.023 0.000 0.216 299 G C 1.192 176.121 174.900 0.049 0.000 1.171 299 G CA 1.111 46.200 45.100 -0.018 0.000 0.775 299 G HN 0.393 nan 8.290 nan 0.000 0.543 300 H N -0.611 118.338 119.070 -0.202 0.000 2.421 300 H HA 0.067 4.637 4.556 0.022 0.000 0.298 300 H C 1.095 176.269 175.328 -0.257 0.000 1.087 300 H CA 1.087 56.980 56.048 -0.258 0.000 1.330 300 H CB -0.109 29.327 29.762 -0.543 0.000 1.388 300 H HN 0.377 nan 8.280 nan 0.000 0.526 301 F N 0.234 120.199 119.950 0.024 0.000 2.647 301 F HA 0.136 4.677 4.527 0.023 0.000 0.300 301 F C 0.260 176.036 175.800 -0.040 0.000 1.106 301 F CA -0.513 57.518 58.000 0.052 0.000 1.313 301 F CB -0.307 38.874 39.000 0.301 0.000 1.007 301 F HN 0.267 nan 8.300 nan 0.000 0.536 302 H N -1.230 117.867 119.070 0.044 0.000 3.064 302 H HA 0.375 4.944 4.556 0.022 0.000 0.329 302 H C 1.335 176.692 175.328 0.048 0.000 1.020 302 H CA 0.045 56.098 56.048 0.009 0.000 1.402 302 H CB 0.396 30.131 29.762 -0.045 0.000 1.379 302 H HN 0.333 nan 8.280 nan 0.000 0.594 303 G N 1.436 110.295 108.800 0.098 0.000 2.234 303 G HA2 -0.340 3.633 3.960 0.023 0.000 0.260 303 G HA3 -0.340 3.633 3.960 0.023 0.000 0.260 303 G C 0.571 175.510 174.900 0.065 0.000 0.987 303 G CA 0.323 45.458 45.100 0.059 0.000 0.625 303 G HN 0.859 nan 8.290 nan 0.000 0.532 304 C N 0.108 119.480 119.300 0.120 0.000 2.913 304 C HA 0.488 4.961 4.460 0.023 0.000 0.246 304 C C 0.004 175.189 174.990 0.325 0.000 1.857 304 C CA -0.946 58.192 59.018 0.200 0.000 1.690 304 C CB -1.120 26.743 27.740 0.205 0.000 3.235 304 C HN 0.434 nan 8.230 nan 0.000 0.475 305 F N 3.883 123.858 119.950 0.041 0.000 2.384 305 F HA 0.355 4.896 4.527 0.023 0.000 0.359 305 F C 0.734 176.438 175.800 -0.159 0.000 1.143 305 F CA -0.770 57.150 58.000 -0.133 0.000 1.216 305 F CB 0.225 39.136 39.000 -0.150 0.000 1.512 305 F HN 0.413 nan 8.300 nan 0.000 0.573 306 D N 3.358 123.572 120.400 -0.310 0.000 2.535 306 D HA 0.100 4.753 4.640 0.023 0.000 0.229 306 D C -0.270 175.893 176.300 -0.229 0.000 1.238 306 D CA -0.098 53.772 54.000 -0.218 0.000 0.824 306 D CB -0.923 39.869 40.800 -0.014 0.000 1.045 306 D HN 0.221 nan 8.370 nan 0.000 0.500 307 F N -0.713 118.901 119.950 -0.559 0.000 2.618 307 F HA 0.678 5.219 4.527 0.022 0.000 0.332 307 F C -0.423 175.054 175.800 -0.538 0.000 1.061 307 F CA -1.651 56.078 58.000 -0.451 0.000 0.974 307 F CB 0.943 39.734 39.000 -0.347 0.000 1.310 307 F HN -0.308 nan 8.300 nan 0.000 0.491 308 D N 1.295 121.618 120.400 -0.128 0.000 2.317 308 D HA 0.275 4.929 4.640 0.023 0.000 0.234 308 D C 0.607 176.905 176.300 -0.004 0.000 1.112 308 D CA -0.314 53.606 54.000 -0.133 0.000 0.840 308 D CB 1.193 41.951 40.800 -0.070 0.000 1.078 308 D HN 0.695 nan 8.370 nan 0.000 0.486 309 L N 2.736 123.972 121.223 0.022 0.000 2.275 309 L HA -0.070 4.283 4.340 0.023 0.000 0.215 309 L C 1.508 178.431 176.870 0.089 0.000 1.119 309 L CA 0.676 55.601 54.840 0.142 0.000 0.790 309 L CB -0.076 42.128 42.059 0.242 0.000 0.919 309 L HN 0.543 nan 8.230 nan 0.000 0.443 310 D N 0.184 120.614 120.400 0.050 0.000 2.264 310 D HA -0.134 4.519 4.640 0.023 0.000 0.208 310 D C 0.851 177.148 176.300 -0.004 0.000 0.966 310 D CA 1.014 55.033 54.000 0.030 0.000 0.864 310 D CB 0.138 40.948 40.800 0.017 0.000 0.933 310 D HN 0.221 nan 8.370 nan 0.000 0.499 311 N N -0.361 118.327 118.700 -0.020 0.000 2.401 311 N HA 0.077 4.831 4.740 0.023 0.000 0.264 311 N C -1.331 174.124 175.510 -0.092 0.000 1.238 311 N CA 0.014 53.028 53.050 -0.059 0.000 0.889 311 N CB 0.874 39.328 38.487 -0.055 0.000 1.196 311 N HN -0.193 nan 8.380 nan 0.000 0.511 312 T N 0.164 114.654 114.554 -0.107 0.000 2.856 312 T HA 0.554 4.918 4.350 0.023 0.000 0.283 312 T C -0.415 174.063 174.700 -0.369 0.000 1.008 312 T CA -0.415 61.568 62.100 -0.195 0.000 0.997 312 T CB 1.521 70.340 68.868 -0.081 0.000 0.992 312 T HN -0.048 nan 8.240 nan 0.000 0.454 313 L N 2.646 123.646 121.223 -0.373 0.000 2.365 313 L HA 0.549 4.902 4.340 0.023 0.000 0.273 313 L C -1.256 175.599 176.870 -0.025 0.000 1.000 313 L CA -1.148 53.517 54.840 -0.293 0.000 0.819 313 L CB 1.423 43.461 42.059 -0.035 0.000 1.284 313 L HN 0.601 nan 8.230 nan 0.000 0.418 314 Y N 2.216 122.968 120.300 0.754 0.000 2.353 314 Y HA 0.480 5.044 4.550 0.023 0.000 0.340 314 Y C -0.279 176.118 175.900 0.827 0.000 0.972 314 Y CA -0.684 57.823 58.100 0.678 0.000 1.157 314 Y CB 0.696 39.483 38.460 0.546 0.000 1.157 314 Y HN 0.211 nan 8.280 nan 0.000 0.495 315 F N 4.558 124.852 119.950 0.574 0.000 2.425 315 F HA 0.591 5.132 4.527 0.022 0.000 0.331 315 F C -0.294 175.904 175.800 0.663 0.000 1.085 315 F CA -2.095 56.175 58.000 0.450 0.000 1.028 315 F CB 1.164 40.377 39.000 0.356 0.000 1.177 315 F HN 0.329 nan 8.300 nan 0.000 0.487 316 F N 1.936 122.120 119.950 0.391 0.000 2.619 316 F HA 0.725 5.265 4.527 0.022 0.000 0.308 316 F C -1.757 173.966 175.800 -0.129 0.000 1.097 316 F CA -1.457 56.753 58.000 0.351 0.000 0.953 316 F CB 1.091 40.394 39.000 0.506 0.000 1.287 316 F HN 0.389 nan 8.300 nan 0.000 0.446 317 I N 2.840 123.294 120.570 -0.193 0.000 2.493 317 I HA 0.910 5.094 4.170 0.023 0.000 0.298 317 I C -1.110 175.166 176.117 0.264 0.000 0.998 317 I CA -0.752 60.327 61.300 -0.369 0.000 1.137 317 I CB 1.616 39.187 38.000 -0.714 0.000 1.310 317 I HN 1.110 nan 8.210 nan 0.000 0.445 318 A N 4.527 127.612 122.820 0.441 0.000 2.572 318 A HA 0.971 5.304 4.320 0.023 0.000 0.295 318 A C -0.465 177.298 177.584 0.298 0.000 1.072 318 A CA 0.096 52.409 52.037 0.460 0.000 0.691 318 A CB 1.522 20.964 19.000 0.736 0.000 1.291 318 A HN 1.292 nan 8.150 nan 0.000 0.404 319 G N -0.006 108.921 108.800 0.212 0.000 2.340 319 G HA2 0.370 4.344 3.960 0.023 0.000 0.282 319 G HA3 0.370 4.344 3.960 0.023 0.000 0.282 319 G C -0.758 174.247 174.900 0.175 0.000 1.312 319 G CA -0.499 44.699 45.100 0.163 0.000 0.942 319 G HN 0.899 nan 8.290 nan 0.000 0.495 320 R N -0.712 119.891 120.500 0.172 0.000 2.590 320 R HA 0.267 4.620 4.340 0.023 0.000 0.274 320 R C -0.356 176.073 176.300 0.215 0.000 1.061 320 R CA -0.519 55.688 56.100 0.179 0.000 1.081 320 R CB 0.079 30.479 30.300 0.166 0.000 0.984 320 R HN 0.530 nan 8.270 nan 0.000 0.448 321 Y N 4.077 124.420 120.300 0.071 0.000 2.529 321 Y HA 0.005 4.569 4.550 0.023 0.000 0.342 321 Y C -0.746 175.216 175.900 0.104 0.000 1.249 321 Y CA 0.097 58.253 58.100 0.094 0.000 1.810 321 Y CB -0.213 38.294 38.460 0.077 0.000 1.653 321 Y HN 0.510 nan 8.280 nan 0.000 0.451 322 E N 4.999 125.440 120.200 0.402 0.000 2.346 322 E HA -0.023 4.340 4.350 0.023 0.000 0.239 322 E C 0.192 176.983 176.600 0.318 0.000 0.943 322 E CA -0.392 56.190 56.400 0.303 0.000 0.751 322 E CB 0.535 30.355 29.700 0.201 0.000 1.241 322 E HN 0.759 nan 8.360 nan 0.000 0.423 323 Y N 3.917 124.378 120.300 0.268 0.000 2.081 323 Y HA -0.377 4.187 4.550 0.022 0.000 0.280 323 Y C 2.334 178.308 175.900 0.123 0.000 1.163 323 Y CA 2.261 60.488 58.100 0.212 0.000 1.135 323 Y CB 0.304 38.900 38.460 0.227 0.000 0.970 323 Y HN 0.278 nan 8.280 nan 0.000 0.498 324 K N 0.134 120.578 120.400 0.074 0.000 2.078 324 K HA -0.057 4.276 4.320 0.023 0.000 0.203 324 K C 1.610 178.232 176.600 0.037 0.000 1.043 324 K CA 1.715 57.974 56.287 -0.047 0.000 0.960 324 K CB -0.418 32.081 32.500 -0.002 0.000 0.761 324 K HN 0.167 nan 8.250 nan 0.000 0.448 325 N N 0.650 119.430 118.700 0.134 0.000 2.381 325 N HA -0.081 4.673 4.740 0.023 0.000 0.182 325 N C 0.691 176.333 175.510 0.220 0.000 1.025 325 N CA 0.815 54.010 53.050 0.242 0.000 0.888 325 N CB 0.112 38.748 38.487 0.247 0.000 0.965 325 N HN 0.144 nan 8.380 nan 0.000 0.438 326 K N -0.331 120.160 120.400 0.151 0.000 2.358 326 K HA 0.211 4.545 4.320 0.023 0.000 0.197 326 K C 0.627 177.269 176.600 0.071 0.000 1.025 326 K CA -0.024 56.337 56.287 0.124 0.000 1.104 326 K CB 0.176 32.751 32.500 0.125 0.000 0.855 326 K HN 0.160 nan 8.250 nan 0.000 0.531 327 G N 1.578 110.397 108.800 0.031 0.000 2.221 327 G HA2 -0.342 3.632 3.960 0.023 0.000 0.265 327 G HA3 -0.342 3.632 3.960 0.023 0.000 0.265 327 G C 1.028 175.896 174.900 -0.054 0.000 1.041 327 G CA 0.565 45.653 45.100 -0.021 0.000 0.807 327 G HN 0.351 nan 8.290 nan 0.000 0.502 328 A N 0.459 123.213 122.820 -0.110 0.000 1.978 328 A HA -0.011 4.323 4.320 0.023 0.000 0.220 328 A C 2.267 179.766 177.584 -0.142 0.000 1.170 328 A CA 2.264 54.261 52.037 -0.066 0.000 0.636 328 A CB -0.284 18.695 19.000 -0.034 0.000 0.810 328 A HN 0.840 nan 8.150 nan 0.000 0.448 329 D N -0.320 119.790 120.400 -0.483 0.000 2.117 329 D HA -0.183 4.471 4.640 0.023 0.000 0.198 329 D C 1.902 178.133 176.300 -0.116 0.000 0.982 329 D CA 1.427 55.195 54.000 -0.386 0.000 0.828 329 D CB -0.704 39.739 40.800 -0.596 0.000 0.967 329 D HN 0.469 nan 8.370 nan 0.000 0.464 330 M N -0.789 118.765 119.600 -0.075 0.000 2.117 330 M HA -0.074 4.419 4.480 0.023 0.000 0.262 330 M C 2.142 178.485 176.300 0.071 0.000 1.065 330 M CA 1.068 56.370 55.300 0.003 0.000 1.114 330 M CB -0.362 32.253 32.600 0.025 0.000 1.361 330 M HN -0.050 nan 8.290 nan 0.000 0.408 331 F N 1.545 121.452 119.950 -0.071 0.000 2.069 331 F HA -0.223 4.317 4.527 0.023 0.000 0.298 331 F C 1.995 177.778 175.800 -0.028 0.000 1.113 331 F CA 1.635 59.606 58.000 -0.047 0.000 1.214 331 F CB -0.469 38.499 39.000 -0.053 0.000 0.978 331 F HN -0.005 nan 8.300 nan 0.000 0.474 332 I N -0.221 120.306 120.570 -0.071 0.000 2.202 332 I HA -0.229 3.954 4.170 0.023 0.000 0.242 332 I C 2.354 178.387 176.117 -0.141 0.000 1.091 332 I CA 1.574 62.770 61.300 -0.173 0.000 1.368 332 I CB -0.603 37.362 38.000 -0.058 0.000 1.058 332 I HN 0.113 nan 8.210 nan 0.000 0.410 333 E N 1.698 121.853 120.200 -0.075 0.000 2.085 333 E HA -0.228 4.136 4.350 0.023 0.000 0.194 333 E C 2.120 178.676 176.600 -0.073 0.000 0.994 333 E CA 1.875 58.237 56.400 -0.063 0.000 0.801 333 E CB -0.194 29.483 29.700 -0.037 0.000 0.743 333 E HN 0.416 nan 8.360 nan 0.000 0.453 334 A N 0.366 123.146 122.820 -0.067 0.000 1.933 334 A HA -0.106 4.228 4.320 0.023 0.000 0.218 334 A C 2.342 179.874 177.584 -0.086 0.000 1.175 334 A CA 1.358 53.364 52.037 -0.052 0.000 0.628 334 A CB -0.710 18.286 19.000 -0.007 0.000 0.814 334 A HN 0.351 nan 8.150 nan 0.000 0.444 335 L N -0.832 120.282 121.223 -0.181 0.000 2.046 335 L HA -0.210 4.143 4.340 0.023 0.000 0.208 335 L C 3.099 179.880 176.870 -0.148 0.000 1.077 335 L CA 1.061 55.771 54.840 -0.217 0.000 0.747 335 L CB -0.511 41.311 42.059 -0.395 0.000 0.896 335 L HN 0.455 nan 8.230 nan 0.000 0.432 336 A N 0.056 122.797 122.820 -0.132 0.000 1.902 336 A HA -0.213 4.120 4.320 0.023 0.000 0.217 336 A C 2.345 179.902 177.584 -0.044 0.000 1.181 336 A CA 1.551 53.531 52.037 -0.097 0.000 0.623 336 A CB -0.412 18.527 19.000 -0.102 0.000 0.818 336 A HN 0.284 nan 8.150 nan 0.000 0.443 337 R N -1.179 119.298 120.500 -0.039 0.000 2.115 337 R HA -0.014 4.340 4.340 0.023 0.000 0.230 337 R C 2.040 178.367 176.300 0.045 0.000 1.111 337 R CA 1.163 57.264 56.100 0.002 0.000 0.976 337 R CB -0.424 29.865 30.300 -0.019 0.000 0.870 337 R HN 0.506 nan 8.270 nan 0.000 0.445 338 L N 1.072 122.296 121.223 0.002 0.000 2.093 338 L HA -0.132 4.221 4.340 0.023 0.000 0.208 338 L C 1.744 178.605 176.870 -0.015 0.000 1.085 338 L CA 1.805 56.646 54.840 0.002 0.000 0.755 338 L CB -0.625 41.427 42.059 -0.012 0.000 0.904 338 L HN 0.106 nan 8.230 nan 0.000 0.435 339 N N -1.270 117.411 118.700 -0.032 0.000 2.104 339 N HA -0.331 4.423 4.740 0.023 0.000 0.190 339 N C 1.971 177.481 175.510 -0.000 0.000 1.024 339 N CA 2.007 55.031 53.050 -0.044 0.000 0.853 339 N CB -0.520 37.936 38.487 -0.053 0.000 1.008 339 N HN 0.577 nan 8.380 nan 0.000 0.424 340 Y N 1.073 121.334 120.300 -0.066 0.000 2.145 340 Y HA -0.048 4.515 4.550 0.023 0.000 0.286 340 Y C 2.236 178.110 175.900 -0.043 0.000 1.145 340 Y CA 1.634 59.704 58.100 -0.050 0.000 1.148 340 Y CB -0.184 38.250 38.460 -0.044 0.000 0.981 340 Y HN 0.037 nan 8.280 nan 0.000 0.507 341 R N -0.105 120.391 120.500 -0.007 0.000 2.081 341 R HA -0.161 4.193 4.340 0.023 0.000 0.235 341 R C 2.271 178.490 176.300 -0.135 0.000 1.131 341 R CA 1.783 57.834 56.100 -0.082 0.000 0.960 341 R CB -0.573 29.735 30.300 0.014 0.000 0.856 341 R HN 0.400 nan 8.270 nan 0.000 0.436 342 L N 0.818 121.976 121.223 -0.107 0.000 2.093 342 L HA -0.170 4.183 4.340 0.023 0.000 0.208 342 L C 2.308 179.094 176.870 -0.139 0.000 1.085 342 L CA 1.383 56.156 54.840 -0.111 0.000 0.755 342 L CB -0.344 41.651 42.059 -0.107 0.000 0.904 342 L HN 0.177 nan 8.230 nan 0.000 0.435 343 K N -0.334 119.962 120.400 -0.172 0.000 2.057 343 K HA -0.097 4.237 4.320 0.023 0.000 0.206 343 K C 2.057 178.531 176.600 -0.210 0.000 1.050 343 K CA 0.977 57.158 56.287 -0.176 0.000 0.935 343 K CB -0.306 32.092 32.500 -0.169 0.000 0.715 343 K HN 0.091 nan 8.250 nan 0.000 0.439 344 V N 2.128 121.850 119.914 -0.321 0.000 2.490 344 V HA -0.199 3.935 4.120 0.023 0.000 0.250 344 V C 2.258 178.251 176.094 -0.169 0.000 1.061 344 V CA 2.191 64.315 62.300 -0.294 0.000 1.064 344 V CB -0.389 31.182 31.823 -0.421 0.000 0.670 344 V HN 0.435 nan 8.190 nan 0.000 0.461 345 S N -0.272 115.343 115.700 -0.143 0.000 2.593 345 S HA 0.224 4.708 4.470 0.023 0.000 0.217 345 S C 1.593 176.144 174.600 -0.081 0.000 0.966 345 S CA 0.573 58.716 58.200 -0.095 0.000 0.914 345 S CB 0.243 63.396 63.200 -0.078 0.000 0.776 345 S HN 1.107 nan 8.310 nan 0.000 0.523 346 G N 1.154 109.900 108.800 -0.090 0.000 2.203 346 G HA2 -0.301 3.672 3.960 0.023 0.000 0.263 346 G HA3 -0.301 3.672 3.960 0.023 0.000 0.263 346 G C 0.118 174.976 174.900 -0.070 0.000 1.012 346 G CA 0.489 45.545 45.100 -0.074 0.000 0.749 346 G HN 0.879 nan 8.290 nan 0.000 0.512 347 S N -0.657 114.996 115.700 -0.078 0.000 2.560 347 S HA 0.436 4.919 4.470 0.023 0.000 0.284 347 S C 1.393 175.945 174.600 -0.080 0.000 1.327 347 S CA 0.085 58.239 58.200 -0.076 0.000 1.055 347 S CB 0.562 63.714 63.200 -0.081 0.000 0.868 347 S HN 0.240 nan 8.310 nan 0.000 0.506 348 K N 2.565 122.920 120.400 -0.075 0.000 2.358 348 K HA 0.194 4.527 4.320 0.023 0.000 0.197 348 K C 0.141 176.690 176.600 -0.085 0.000 1.025 348 K CA 0.174 56.417 56.287 -0.073 0.000 1.104 348 K CB 0.167 32.632 32.500 -0.059 0.000 0.855 348 K HN 0.558 nan 8.250 nan 0.000 0.531 349 K N 1.099 121.438 120.400 -0.102 0.000 2.168 349 K HA 0.213 4.547 4.320 0.023 0.000 0.258 349 K C -0.052 176.444 176.600 -0.174 0.000 1.010 349 K CA 0.141 56.353 56.287 -0.124 0.000 0.929 349 K CB 0.773 33.198 32.500 -0.125 0.000 0.998 349 K HN -0.208 nan 8.250 nan 0.000 0.479 350 T N 0.675 115.097 114.554 -0.220 0.000 2.876 350 T HA 0.305 4.668 4.350 0.023 0.000 0.289 350 T C -0.793 173.697 174.700 -0.350 0.000 1.014 350 T CA -0.721 61.170 62.100 -0.348 0.000 0.986 350 T CB 1.734 70.248 68.868 -0.591 0.000 1.021 350 T HN 0.164 nan 8.240 nan 0.000 0.458 351 V N 3.320 123.000 119.914 -0.389 0.000 2.384 351 V HA 0.413 4.547 4.120 0.023 0.000 0.287 351 V C -0.255 175.640 176.094 -0.332 0.000 1.020 351 V CA -0.676 61.359 62.300 -0.443 0.000 0.850 351 V CB 1.685 33.087 31.823 -0.701 0.000 0.987 351 V HN 0.727 nan 8.190 nan 0.000 0.436 352 V N 4.912 124.742 119.914 -0.141 0.000 2.350 352 V HA 0.680 4.814 4.120 0.023 0.000 0.276 352 V C 0.509 176.670 176.094 0.113 0.000 1.028 352 V CA -0.424 61.889 62.300 0.021 0.000 0.860 352 V CB 1.426 33.423 31.823 0.290 0.000 0.990 352 V HN 0.942 nan 8.190 nan 0.000 0.453 353 A N 5.626 128.449 122.820 0.005 0.000 2.292 353 A HA 0.843 5.176 4.320 0.023 0.000 0.319 353 A C -0.935 176.764 177.584 0.191 0.000 1.206 353 A CA -0.313 51.858 52.037 0.222 0.000 0.835 353 A CB 0.355 19.413 19.000 0.097 0.000 1.164 353 A HN 0.627 nan 8.150 nan 0.000 0.505 354 F N 1.886 122.173 119.950 0.562 0.000 2.427 354 F HA 0.500 5.041 4.527 0.022 0.000 0.346 354 F C 0.203 176.306 175.800 0.505 0.000 1.120 354 F CA -0.302 58.005 58.000 0.511 0.000 1.033 354 F CB 1.770 41.120 39.000 0.583 0.000 1.126 354 F HN 0.355 nan 8.300 nan 0.000 0.462 355 I N 4.695 125.616 120.570 0.586 0.000 2.330 355 I HA 0.275 4.459 4.170 0.023 0.000 0.286 355 I C -0.830 175.578 176.117 0.485 0.000 1.025 355 I CA -0.670 60.907 61.300 0.462 0.000 1.197 355 I CB 1.180 39.341 38.000 0.268 0.000 1.358 355 I HN 0.207 nan 8.210 nan 0.000 0.467 356 V N 7.750 127.894 119.914 0.383 0.000 2.217 356 V HA 0.412 4.545 4.120 0.023 0.000 0.264 356 V C 0.058 176.280 176.094 0.214 0.000 1.107 356 V CA -0.115 62.359 62.300 0.291 0.000 0.913 356 V CB 0.135 32.084 31.823 0.209 0.000 1.153 356 V HN 0.688 nan 8.190 nan 0.000 0.469 357 M N 5.199 124.909 119.600 0.184 0.000 2.213 357 M HA 0.445 4.939 4.480 0.023 0.000 0.286 357 M C -2.950 173.330 176.300 -0.034 0.000 1.008 357 M CA -1.666 53.665 55.300 0.052 0.000 0.937 357 M CB 3.305 35.884 32.600 -0.035 0.000 1.600 357 M HN 0.151 nan 8.290 nan 0.000 0.450 358 P HA 0.209 nan 4.420 nan 0.000 0.267 358 P C -1.190 176.109 177.300 -0.003 0.000 1.209 358 P CA 0.129 63.036 63.100 -0.322 0.000 0.763 358 P CB 0.597 31.917 31.700 -0.633 0.000 0.816 359 A N 3.386 126.187 122.820 -0.033 0.000 2.515 359 A HA 0.491 4.825 4.320 0.023 0.000 0.296 359 A C -0.691 176.859 177.584 -0.057 0.000 1.094 359 A CA -0.924 51.180 52.037 0.112 0.000 0.718 359 A CB 1.148 20.362 19.000 0.356 0.000 1.307 359 A HN 0.359 nan 8.150 nan 0.000 0.408 360 K N 1.310 121.691 120.400 -0.031 0.000 2.453 360 K HA 0.194 4.528 4.320 0.023 0.000 0.280 360 K C -0.236 176.321 176.600 -0.071 0.000 1.045 360 K CA 0.630 56.884 56.287 -0.055 0.000 1.059 360 K CB -0.046 32.432 32.500 -0.035 0.000 0.901 360 K HN 0.781 nan 8.250 nan 0.000 0.475 361 N N 0.550 119.194 118.700 -0.093 0.000 2.525 361 N HA 0.213 4.967 4.740 0.023 0.000 0.270 361 N C -0.827 174.649 175.510 -0.057 0.000 1.321 361 N CA -1.020 51.975 53.050 -0.091 0.000 0.797 361 N CB 0.946 39.330 38.487 -0.172 0.000 1.529 361 N HN 0.163 nan 8.380 nan 0.000 0.491 362 N N 0.402 119.079 118.700 -0.038 0.000 2.453 362 N HA 0.195 4.948 4.740 0.023 0.000 0.270 362 N C -0.786 174.701 175.510 -0.039 0.000 1.195 362 N CA 0.195 53.229 53.050 -0.027 0.000 0.902 362 N CB -0.188 38.291 38.487 -0.013 0.000 1.186 362 N HN 0.680 nan 8.380 nan 0.000 0.510 363 S N -0.443 115.218 115.700 -0.066 0.000 3.922 363 S HA -0.211 4.273 4.470 0.023 0.000 0.641 363 S C -0.431 173.948 174.600 -0.368 0.000 1.746 363 S CA -0.477 57.609 58.200 -0.189 0.000 1.907 363 S CB -1.016 62.145 63.200 -0.065 0.000 0.326 363 S HN 0.226 nan 8.310 nan 0.000 1.786 364 F N 2.428 122.157 119.950 -0.368 0.000 2.553 364 F HA 0.321 4.862 4.527 0.023 0.000 0.356 364 F C 1.679 177.369 175.800 -0.183 0.000 1.142 364 F CA 0.659 58.392 58.000 -0.445 0.000 1.322 364 F CB 0.125 38.937 39.000 -0.314 0.000 1.126 364 F HN 0.640 nan 8.300 nan 0.000 0.599 365 T N -0.920 113.668 114.554 0.056 0.000 2.860 365 T HA 0.182 4.546 4.350 0.023 0.000 0.299 365 T C 1.083 175.822 174.700 0.066 0.000 1.045 365 T CA -0.950 61.184 62.100 0.058 0.000 1.071 365 T CB 1.134 70.040 68.868 0.063 0.000 0.985 365 T HN 0.363 nan 8.240 nan 0.000 0.537 366 V N 1.222 121.161 119.914 0.042 0.000 2.407 366 V HA -0.105 4.029 4.120 0.023 0.000 0.248 366 V C 2.862 178.971 176.094 0.025 0.000 1.055 366 V CA 2.279 64.596 62.300 0.028 0.000 1.049 366 V CB -1.080 30.753 31.823 0.017 0.000 0.662 366 V HN 1.022 nan 8.190 nan 0.000 0.455 367 E N 0.936 121.156 120.200 0.033 0.000 2.058 367 E HA -0.218 4.146 4.350 0.023 0.000 0.194 367 E C 2.147 178.776 176.600 0.047 0.000 0.997 367 E CA 1.871 58.294 56.400 0.037 0.000 0.801 367 E CB -0.548 29.169 29.700 0.030 0.000 0.746 367 E HN 0.515 nan 8.360 nan 0.000 0.450 368 A N 0.185 123.051 122.820 0.076 0.000 1.902 368 A HA -0.134 4.199 4.320 0.023 0.000 0.217 368 A C 2.355 179.980 177.584 0.068 0.000 1.181 368 A CA 1.580 53.693 52.037 0.127 0.000 0.623 368 A CB -0.721 18.419 19.000 0.233 0.000 0.818 368 A HN 0.338 nan 8.150 nan 0.000 0.443 369 L N -1.222 120.012 121.223 0.018 0.000 2.109 369 L HA -0.105 4.249 4.340 0.023 0.000 0.207 369 L C 2.577 179.422 176.870 -0.041 0.000 1.086 369 L CA 1.648 56.466 54.840 -0.038 0.000 0.760 369 L CB -0.323 41.706 42.059 -0.051 0.000 0.910 369 L HN 0.362 nan 8.230 nan 0.000 0.437 370 K N 0.173 120.550 120.400 -0.038 0.000 2.025 370 K HA -0.112 4.222 4.320 0.023 0.000 0.207 370 K C 2.092 178.609 176.600 -0.139 0.000 1.049 370 K CA 1.309 57.552 56.287 -0.073 0.000 0.933 370 K CB -0.362 32.103 32.500 -0.059 0.000 0.714 370 K HN 0.293 nan 8.250 nan 0.000 0.438 371 G N 0.467 109.176 108.800 -0.151 0.000 2.446 371 G HA2 -0.332 3.641 3.960 0.023 0.000 0.217 371 G HA3 -0.332 3.641 3.960 0.023 0.000 0.217 371 G C 1.466 176.271 174.900 -0.159 0.000 1.168 371 G CA 1.011 45.941 45.100 -0.282 0.000 0.771 371 G HN 0.318 nan 8.290 nan 0.000 0.551 372 Q N 0.467 120.232 119.800 -0.059 0.000 2.124 372 Q HA 0.109 4.462 4.340 0.023 0.000 0.202 372 Q C 2.688 178.653 176.000 -0.058 0.000 0.977 372 Q CA 1.850 57.633 55.803 -0.032 0.000 0.850 372 Q CB -0.517 28.230 28.738 0.014 0.000 0.901 372 Q HN 0.407 nan 8.270 nan 0.000 0.429 373 A N 0.001 122.778 122.820 -0.071 0.000 1.930 373 A HA -0.181 4.153 4.320 0.023 0.000 0.217 373 A C 1.902 179.437 177.584 -0.081 0.000 1.175 373 A CA 1.530 53.526 52.037 -0.068 0.000 0.627 373 A CB -0.499 18.464 19.000 -0.062 0.000 0.815 373 A HN 0.492 nan 8.150 nan 0.000 0.443 374 E N -0.469 119.658 120.200 -0.121 0.000 2.110 374 E HA -0.120 4.244 4.350 0.023 0.000 0.193 374 E C 1.942 178.478 176.600 -0.105 0.000 0.988 374 E CA 1.290 57.611 56.400 -0.133 0.000 0.804 374 E CB -0.184 29.382 29.700 -0.223 0.000 0.745 374 E HN 0.383 nan 8.360 nan 0.000 0.458 375 V N 0.587 120.438 119.914 -0.106 0.000 2.358 375 V HA -0.226 3.907 4.120 0.023 0.000 0.246 375 V C 2.269 178.330 176.094 -0.054 0.000 1.047 375 V CA 1.685 63.939 62.300 -0.076 0.000 1.035 375 V CB -0.350 31.427 31.823 -0.077 0.000 0.658 375 V HN 0.109 nan 8.190 nan 0.000 0.452 376 R N 0.280 120.750 120.500 -0.050 0.000 2.105 376 R HA -0.155 4.198 4.340 0.023 0.000 0.239 376 R C 2.219 178.500 176.300 -0.033 0.000 1.135 376 R CA 1.698 57.775 56.100 -0.039 0.000 0.967 376 R CB -0.607 29.670 30.300 -0.038 0.000 0.861 376 R HN 0.540 nan 8.270 nan 0.000 0.442 377 A N 0.056 122.854 122.820 -0.037 0.000 1.929 377 A HA -0.095 4.238 4.320 0.023 0.000 0.216 377 A C 1.945 179.519 177.584 -0.017 0.000 1.176 377 A CA 1.047 53.068 52.037 -0.027 0.000 0.628 377 A CB -0.552 18.429 19.000 -0.032 0.000 0.816 377 A HN 0.325 nan 8.150 nan 0.000 0.444 378 L N 0.444 121.653 121.223 -0.024 0.000 2.012 378 L HA -0.188 4.166 4.340 0.023 0.000 0.210 378 L C 2.138 179.007 176.870 -0.002 0.000 1.073 378 L CA 2.544 57.376 54.840 -0.013 0.000 0.748 378 L CB -0.820 41.227 42.059 -0.020 0.000 0.891 378 L HN 0.537 nan 8.230 nan 0.000 0.431 379 E N -0.429 119.766 120.200 -0.008 0.000 2.070 379 E HA -0.253 4.110 4.350 0.023 0.000 0.197 379 E C 1.927 178.543 176.600 0.026 0.000 1.004 379 E CA 1.480 57.881 56.400 0.002 0.000 0.805 379 E CB -0.285 29.405 29.700 -0.016 0.000 0.744 379 E HN 0.575 nan 8.360 nan 0.000 0.451 380 N N 0.205 118.915 118.700 0.016 0.000 2.084 380 N HA -0.117 4.637 4.740 0.023 0.000 0.190 380 N C 1.929 177.482 175.510 0.072 0.000 1.030 380 N CA 1.555 54.629 53.050 0.041 0.000 0.849 380 N CB -0.749 37.747 38.487 0.016 0.000 1.012 380 N HN 0.109 nan 8.380 nan 0.000 0.423 381 T N 1.177 115.754 114.554 0.039 0.000 2.788 381 T HA -0.046 4.317 4.350 0.023 0.000 0.268 381 T C 2.156 176.878 174.700 0.036 0.000 1.044 381 T CA 0.760 62.878 62.100 0.031 0.000 1.139 381 T CB -0.300 68.576 68.868 0.014 0.000 0.867 381 T HN -0.015 nan 8.240 nan 0.000 0.454 382 V N 0.970 120.910 119.914 0.043 0.000 2.343 382 V HA -0.209 3.925 4.120 0.023 0.000 0.247 382 V C 2.274 178.404 176.094 0.061 0.000 1.051 382 V CA 2.013 64.338 62.300 0.041 0.000 1.036 382 V CB -0.688 31.159 31.823 0.040 0.000 0.654 382 V HN 0.556 nan 8.190 nan 0.000 0.451 383 H N 0.522 119.587 119.070 -0.007 0.000 2.352 383 H HA -0.164 4.406 4.556 0.023 0.000 0.299 383 H C 2.280 177.604 175.328 -0.006 0.000 1.097 383 H CA 2.274 58.318 56.048 -0.007 0.000 1.311 383 H CB 0.007 29.763 29.762 -0.009 0.000 1.377 383 H HN 0.528 nan 8.280 nan 0.000 0.504 384 E N -0.596 119.584 120.200 -0.033 0.000 2.031 384 E HA -0.149 4.215 4.350 0.023 0.000 0.193 384 E C 2.424 178.971 176.600 -0.090 0.000 0.994 384 E CA 1.448 57.800 56.400 -0.081 0.000 0.800 384 E CB -0.038 29.655 29.700 -0.012 0.000 0.752 384 E HN 0.275 nan 8.360 nan 0.000 0.447 385 V N 1.423 121.309 119.914 -0.047 0.000 2.287 385 V HA -0.290 3.843 4.120 0.023 0.000 0.248 385 V C 2.742 178.805 176.094 -0.051 0.000 1.053 385 V CA 2.267 64.545 62.300 -0.036 0.000 1.027 385 V CB -1.081 30.733 31.823 -0.015 0.000 0.646 385 V HN 0.536 nan 8.190 nan 0.000 0.447 386 T N -3.321 111.193 114.554 -0.065 0.000 2.915 386 T HA -0.190 4.174 4.350 0.023 0.000 0.269 386 T C 1.749 176.390 174.700 -0.099 0.000 1.071 386 T CA 1.863 63.925 62.100 -0.064 0.000 1.132 386 T CB -0.592 68.250 68.868 -0.043 0.000 0.878 386 T HN 0.441 nan 8.240 nan 0.000 0.479 387 T N 2.111 116.562 114.554 -0.172 0.000 2.746 387 T HA -0.070 4.294 4.350 0.023 0.000 0.267 387 T C 2.389 177.037 174.700 -0.087 0.000 1.039 387 T CA 1.593 63.592 62.100 -0.168 0.000 1.142 387 T CB -0.551 68.174 68.868 -0.238 0.000 0.866 387 T HN 0.514 nan 8.240 nan 0.000 0.444 388 S N 1.262 116.922 115.700 -0.067 0.000 2.356 388 S HA 0.006 4.490 4.470 0.023 0.000 0.223 388 S C 2.058 176.651 174.600 -0.011 0.000 1.032 388 S CA 0.890 59.072 58.200 -0.030 0.000 1.005 388 S CB -0.433 62.753 63.200 -0.023 0.000 0.867 388 S HN 0.420 nan 8.310 nan 0.000 0.449 389 I N 1.675 122.235 120.570 -0.016 0.000 2.208 389 I HA -0.181 4.002 4.170 0.023 0.000 0.245 389 I C 2.712 178.837 176.117 0.014 0.000 1.097 389 I CA 1.259 62.558 61.300 -0.002 0.000 1.363 389 I CB -0.970 37.024 38.000 -0.010 0.000 1.051 389 I HN 0.389 nan 8.210 nan 0.000 0.413 390 G N 0.660 109.462 108.800 0.003 0.000 2.418 390 G HA2 -0.252 3.722 3.960 0.023 0.000 0.217 390 G HA3 -0.252 3.722 3.960 0.023 0.000 0.217 390 G C 1.671 176.614 174.900 0.073 0.000 1.158 390 G CA 0.616 45.731 45.100 0.026 0.000 0.771 390 G HN 0.173 nan 8.290 nan 0.000 0.545 391 K N 0.497 120.924 120.400 0.046 0.000 2.032 391 K HA -0.007 4.327 4.320 0.023 0.000 0.209 391 K C 2.627 179.315 176.600 0.148 0.000 1.048 391 K CA 1.022 57.361 56.287 0.086 0.000 0.927 391 K CB -0.355 32.169 32.500 0.040 0.000 0.712 391 K HN 0.254 nan 8.250 nan 0.000 0.441 392 R N -0.228 120.330 120.500 0.098 0.000 2.115 392 R HA 0.079 4.432 4.340 0.023 0.000 0.226 392 R C 2.332 178.702 176.300 0.117 0.000 1.100 392 R CA 1.133 57.293 56.100 0.099 0.000 0.980 392 R CB -0.258 30.079 30.300 0.061 0.000 0.875 392 R HN 0.165 nan 8.270 nan 0.000 0.445 393 I N -0.213 120.418 120.570 0.102 0.000 2.252 393 I HA -0.250 3.933 4.170 0.023 0.000 0.245 393 I C 2.068 178.270 176.117 0.142 0.000 1.102 393 I CA 1.038 62.389 61.300 0.085 0.000 1.385 393 I CB -0.238 37.793 38.000 0.052 0.000 1.064 393 I HN 0.077 nan 8.210 nan 0.000 0.414 394 F N 2.187 122.161 119.950 0.040 0.000 2.069 394 F HA -0.318 4.223 4.527 0.023 0.000 0.298 394 F C 2.152 177.993 175.800 0.068 0.000 1.113 394 F CA 2.312 60.339 58.000 0.045 0.000 1.214 394 F CB -0.414 38.602 39.000 0.028 0.000 0.978 394 F HN 0.099 nan 8.300 nan 0.000 0.474 395 D N -1.197 119.282 120.400 0.131 0.000 2.104 395 D HA -0.302 4.352 4.640 0.023 0.000 0.194 395 D C 2.181 178.468 176.300 -0.021 0.000 0.994 395 D CA 1.970 55.986 54.000 0.027 0.000 0.830 395 D CB -0.337 40.529 40.800 0.110 0.000 0.959 395 D HN 0.546 nan 8.370 nan 0.000 0.452 396 H N -0.756 118.293 119.070 -0.034 0.000 2.319 396 H HA -0.080 4.489 4.556 0.023 0.000 0.299 396 H C 1.953 177.250 175.328 -0.051 0.000 1.092 396 H CA 2.170 58.206 56.048 -0.022 0.000 1.302 396 H CB -0.245 29.511 29.762 -0.011 0.000 1.373 396 H HN 0.201 nan 8.280 nan 0.000 0.497 397 A N 0.104 122.963 122.820 0.064 0.000 1.933 397 A HA -0.142 4.192 4.320 0.023 0.000 0.218 397 A C 2.353 179.865 177.584 -0.121 0.000 1.175 397 A CA 1.682 53.701 52.037 -0.031 0.000 0.628 397 A CB -0.644 18.307 19.000 -0.081 0.000 0.814 397 A HN 0.542 nan 8.150 nan 0.000 0.444 398 I N -0.343 120.051 120.570 -0.294 0.000 2.876 398 I HA -0.072 4.111 4.170 0.023 0.000 0.264 398 I C 2.262 178.320 176.117 -0.098 0.000 1.204 398 I CA 1.179 62.306 61.300 -0.287 0.000 1.485 398 I CB -0.059 37.614 38.000 -0.545 0.000 1.103 398 I HN 0.472 nan 8.210 nan 0.000 0.446 399 R N -0.876 119.585 120.500 -0.065 0.000 2.308 399 R HA -0.014 4.339 4.340 0.023 0.000 0.202 399 R C 0.543 176.852 176.300 0.015 0.000 0.898 399 R CA -0.375 55.733 56.100 0.013 0.000 1.046 399 R CB -0.713 29.577 30.300 -0.015 0.000 1.026 399 R HN 0.243 nan 8.270 nan 0.000 0.512 400 Y N 3.900 124.100 120.300 -0.167 0.000 2.712 400 Y HA 0.088 4.652 4.550 0.023 0.000 0.333 400 Y C -1.932 173.794 175.900 -0.291 0.000 1.225 400 Y CA -1.489 56.482 58.100 -0.214 0.000 1.499 400 Y CB 0.991 39.366 38.460 -0.141 0.000 1.288 400 Y HN 0.031 nan 8.280 nan 0.000 0.575 401 P HA 0.201 nan 4.420 nan 0.000 0.257 401 P C -1.300 175.611 177.300 -0.648 0.000 1.737 401 P CA -0.006 62.362 63.100 -1.219 0.000 1.130 401 P CB -0.005 30.824 31.700 -1.453 0.000 1.572 402 H N -0.185 118.740 119.070 -0.241 0.000 2.534 402 H HA 0.315 4.884 4.556 0.023 0.000 0.364 402 H C 0.989 176.246 175.328 -0.119 0.000 1.328 402 H CA -0.349 55.607 56.048 -0.153 0.000 1.415 402 H CB 0.227 29.919 29.762 -0.116 0.000 1.573 402 H HN -0.134 nan 8.280 nan 0.000 0.601 403 N N 0.162 118.897 118.700 0.058 0.000 2.714 403 N HA -0.198 4.556 4.740 0.023 0.000 0.250 403 N C 0.838 176.339 175.510 -0.015 0.000 1.117 403 N CA 1.245 54.300 53.050 0.008 0.000 0.719 403 N CB -1.413 37.074 38.487 0.001 0.000 1.081 403 N HN 1.113 nan 8.380 nan 0.000 0.557 404 G N -0.910 107.875 108.800 -0.025 0.000 2.143 404 G HA2 -0.314 3.660 3.960 0.023 0.000 0.249 404 G HA3 -0.314 3.660 3.960 0.023 0.000 0.249 404 G C -0.005 174.884 174.900 -0.018 0.000 0.981 404 G CA 0.282 45.370 45.100 -0.021 0.000 0.665 404 G HN 0.409 nan 8.290 nan 0.000 0.528 405 L N 2.024 123.219 121.223 -0.047 0.000 2.407 405 L HA 0.286 4.640 4.340 0.023 0.000 0.282 405 L C 1.977 178.896 176.870 0.081 0.000 1.110 405 L CA 0.417 55.251 54.840 -0.009 0.000 0.863 405 L CB 0.656 42.635 42.059 -0.134 0.000 1.207 405 L HN 0.365 nan 8.230 nan 0.000 0.454 406 T N -2.512 112.117 114.554 0.125 0.000 3.081 406 T HA 0.019 4.383 4.350 0.023 0.000 0.255 406 T C 0.791 175.644 174.700 0.255 0.000 1.113 406 T CA 0.199 62.383 62.100 0.140 0.000 1.082 406 T CB -0.158 68.758 68.868 0.080 0.000 0.939 406 T HN 0.614 nan 8.240 nan 0.000 0.506 407 T N -0.689 114.036 114.554 0.285 0.000 2.908 407 T HA 0.499 4.862 4.350 0.023 0.000 0.290 407 T C 0.508 175.176 174.700 -0.053 0.000 1.034 407 T CA -0.966 61.223 62.100 0.148 0.000 1.010 407 T CB 2.562 71.468 68.868 0.063 0.000 1.068 407 T HN 0.052 nan 8.240 nan 0.000 0.481 408 E N 0.424 120.309 120.200 -0.525 0.000 2.110 408 E HA 0.042 4.405 4.350 0.023 0.000 0.193 408 E C 0.312 176.752 176.600 -0.268 0.000 0.988 408 E CA 0.897 56.768 56.400 -0.882 0.000 0.804 408 E CB -0.091 29.219 29.700 -0.649 0.000 0.745 408 E HN 0.493 nan 8.360 nan 0.000 0.458 409 L N 0.287 121.380 121.223 -0.217 0.000 2.323 409 L HA 0.440 4.794 4.340 0.023 0.000 0.265 409 L C -2.481 174.034 176.870 -0.592 0.000 1.012 409 L CA -2.854 51.782 54.840 -0.340 0.000 0.820 409 L CB 1.346 43.276 42.059 -0.215 0.000 1.334 409 L HN -0.296 nan 8.230 nan 0.000 0.427 410 P HA 0.066 nan 4.420 nan 0.000 0.269 410 P C 0.142 177.305 177.300 -0.229 0.000 1.209 410 P CA -0.053 62.742 63.100 -0.508 0.000 0.776 410 P CB 0.668 32.165 31.700 -0.337 0.000 0.876 411 T N -2.942 111.537 114.554 -0.127 0.000 2.954 411 T HA 0.161 4.525 4.350 0.023 0.000 0.252 411 T C 0.100 174.772 174.700 -0.046 0.000 0.983 411 T CA 0.067 62.123 62.100 -0.073 0.000 0.941 411 T CB -0.349 68.493 68.868 -0.044 0.000 1.141 411 T HN 0.263 nan 8.240 nan 0.000 0.500 412 D N 1.000 121.377 120.400 -0.038 0.000 2.280 412 D HA 0.392 5.045 4.640 0.023 0.000 0.236 412 D C 1.070 177.357 176.300 -0.022 0.000 1.082 412 D CA -0.689 53.299 54.000 -0.020 0.000 0.834 412 D CB 1.381 42.179 40.800 -0.004 0.000 1.100 412 D HN -0.026 nan 8.370 nan 0.000 0.486 413 L N 4.225 125.437 121.223 -0.019 0.000 2.189 413 L HA 0.032 4.385 4.340 0.023 0.000 0.214 413 L C 1.992 178.857 176.870 -0.009 0.000 1.097 413 L CA 2.178 57.008 54.840 -0.016 0.000 0.764 413 L CB -0.789 41.263 42.059 -0.012 0.000 0.900 413 L HN 0.650 nan 8.230 nan 0.000 0.436 414 G N -1.418 107.380 108.800 -0.003 0.000 2.471 414 G HA2 -0.271 3.703 3.960 0.023 0.000 0.219 414 G HA3 -0.271 3.703 3.960 0.023 0.000 0.219 414 G C 1.482 176.387 174.900 0.008 0.000 1.125 414 G CA 0.617 45.719 45.100 0.003 0.000 0.775 414 G HN 0.571 nan 8.290 nan 0.000 0.548 415 E N -0.358 119.846 120.200 0.007 0.000 2.274 415 E HA 0.047 4.411 4.350 0.023 0.000 0.194 415 E C 2.104 178.714 176.600 0.016 0.000 0.996 415 E CA 0.332 56.743 56.400 0.019 0.000 0.840 415 E CB -0.024 29.689 29.700 0.023 0.000 0.772 415 E HN 0.485 nan 8.360 nan 0.000 0.491 416 L N -0.040 121.184 121.223 0.002 0.000 2.537 416 L HA 0.183 4.537 4.340 0.023 0.000 0.224 416 L C 0.285 177.157 176.870 0.002 0.000 1.065 416 L CA -0.169 54.672 54.840 0.001 0.000 0.860 416 L CB 0.620 42.672 42.059 -0.013 0.000 1.086 416 L HN 0.066 nan 8.230 nan 0.000 0.482 417 L N 1.300 122.524 121.223 0.001 0.000 2.316 417 L HA 0.431 4.784 4.340 0.023 0.000 0.280 417 L C -0.346 176.526 176.870 0.003 0.000 1.006 417 L CA -0.278 54.563 54.840 0.001 0.000 0.836 417 L CB 0.616 42.674 42.059 -0.001 0.000 1.221 417 L HN -0.171 nan 8.230 nan 0.000 0.418 418 K N 1.517 121.919 120.400 0.004 0.000 2.109 418 K HA 0.376 4.710 4.320 0.023 0.000 0.243 418 K C 1.234 177.836 176.600 0.004 0.000 1.006 418 K CA 0.260 56.550 56.287 0.005 0.000 0.917 418 K CB 1.297 33.801 32.500 0.006 0.000 1.081 418 K HN 0.627 nan 8.250 nan 0.000 0.468 419 S N -0.487 115.216 115.700 0.005 0.000 2.402 419 S HA -0.166 4.317 4.470 0.023 0.000 0.229 419 S C 1.816 176.418 174.600 0.003 0.000 1.021 419 S CA 1.760 59.962 58.200 0.004 0.000 0.974 419 S CB -0.308 62.894 63.200 0.005 0.000 0.800 419 S HN 0.599 nan 8.310 nan 0.000 0.484 420 S N 1.816 117.518 115.700 0.003 0.000 2.383 420 S HA -0.115 4.368 4.470 0.023 0.000 0.227 420 S C 1.489 176.090 174.600 0.001 0.000 1.026 420 S CA 1.055 59.256 58.200 0.002 0.000 0.981 420 S CB -0.762 62.439 63.200 0.002 0.000 0.818 420 S HN 0.489 nan 8.310 nan 0.000 0.472 421 D N 2.037 122.437 120.400 0.001 0.000 2.149 421 D HA -0.056 4.597 4.640 0.023 0.000 0.198 421 D C 2.011 178.311 176.300 0.001 0.000 0.990 421 D CA 1.218 55.217 54.000 -0.000 0.000 0.839 421 D CB -0.188 40.611 40.800 -0.002 0.000 0.948 421 D HN 0.567 nan 8.370 nan 0.000 0.460 422 K N 0.376 120.778 120.400 0.002 0.000 2.062 422 K HA -0.020 4.313 4.320 0.023 0.000 0.205 422 K C 2.276 178.878 176.600 0.004 0.000 1.051 422 K CA 0.407 56.696 56.287 0.003 0.000 0.941 422 K CB -0.074 32.428 32.500 0.004 0.000 0.719 422 K HN -0.009 nan 8.250 nan 0.000 0.440 423 V N 2.051 121.967 119.914 0.003 0.000 2.287 423 V HA -0.304 3.830 4.120 0.023 0.000 0.248 423 V C 2.412 178.508 176.094 0.002 0.000 1.053 423 V CA 1.731 64.033 62.300 0.003 0.000 1.027 423 V CB -0.399 31.426 31.823 0.002 0.000 0.646 423 V HN 0.353 nan 8.190 nan 0.000 0.447 424 M N -0.808 118.793 119.600 0.002 0.000 2.082 424 M HA -0.233 4.260 4.480 0.023 0.000 0.258 424 M C 2.167 178.468 176.300 0.002 0.000 1.071 424 M CA 2.160 57.461 55.300 0.002 0.000 1.103 424 M CB -0.277 32.324 32.600 0.001 0.000 1.307 424 M HN 0.263 nan 8.290 nan 0.000 0.409 425 L N -0.407 120.818 121.223 0.003 0.000 2.046 425 L HA -0.245 4.109 4.340 0.023 0.000 0.208 425 L C 2.326 179.200 176.870 0.005 0.000 1.077 425 L CA 1.387 56.230 54.840 0.005 0.000 0.747 425 L CB -0.581 41.481 42.059 0.006 0.000 0.896 425 L HN 0.266 nan 8.230 nan 0.000 0.432 426 K N -0.263 120.140 120.400 0.006 0.000 2.209 426 K HA -0.154 4.180 4.320 0.023 0.000 0.204 426 K C 2.227 178.831 176.600 0.006 0.000 1.048 426 K CA 1.102 57.393 56.287 0.007 0.000 0.940 426 K CB -0.085 32.419 32.500 0.007 0.000 0.729 426 K HN 0.290 nan 8.250 nan 0.000 0.451 427 R N 0.238 120.740 120.500 0.003 0.000 2.090 427 R HA 0.016 4.370 4.340 0.023 0.000 0.228 427 R C 2.200 178.499 176.300 -0.002 0.000 1.110 427 R CA 0.758 56.859 56.100 0.001 0.000 0.973 427 R CB -0.010 30.289 30.300 -0.001 0.000 0.869 427 R HN 0.031 nan 8.270 nan 0.000 0.440 428 R N 0.730 121.228 120.500 -0.003 0.000 2.115 428 R HA -0.027 4.326 4.340 0.023 0.000 0.230 428 R C 2.132 178.429 176.300 -0.005 0.000 1.111 428 R CA 1.056 57.151 56.100 -0.009 0.000 0.976 428 R CB -0.491 29.804 30.300 -0.008 0.000 0.870 428 R HN 0.315 nan 8.270 nan 0.000 0.445 429 I N 0.564 121.137 120.570 0.005 0.000 2.286 429 I HA -0.240 3.943 4.170 0.023 0.000 0.245 429 I C 2.263 178.392 176.117 0.020 0.000 1.104 429 I CA 0.642 61.952 61.300 0.015 0.000 1.397 429 I CB -0.270 37.741 38.000 0.019 0.000 1.072 429 I HN 0.030 nan 8.210 nan 0.000 0.417 430 L N 1.314 122.545 121.223 0.014 0.000 2.131 430 L HA -0.123 4.231 4.340 0.023 0.000 0.210 430 L C 2.433 179.311 176.870 0.014 0.000 1.092 430 L CA 1.988 56.837 54.840 0.015 0.000 0.759 430 L CB -0.641 41.424 42.059 0.010 0.000 0.903 430 L HN 0.172 nan 8.230 nan 0.000 0.435 431 A N -0.981 121.839 122.820 -0.000 0.000 2.119 431 A HA -0.029 4.304 4.320 0.023 0.000 0.217 431 A C 2.126 179.695 177.584 -0.026 0.000 1.153 431 A CA 1.356 53.383 52.037 -0.018 0.000 0.692 431 A CB -0.682 18.297 19.000 -0.036 0.000 0.799 431 A HN 0.511 nan 8.150 nan 0.000 0.458 432 L N -1.215 120.012 121.223 0.007 0.000 2.509 432 L HA 0.109 4.463 4.340 0.023 0.000 0.222 432 L C 1.304 178.305 176.870 0.217 0.000 1.123 432 L CA -0.172 54.708 54.840 0.067 0.000 0.856 432 L CB -0.144 41.956 42.059 0.069 0.000 0.985 432 L HN 0.261 nan 8.230 nan 0.000 0.456 433 R N 1.403 121.973 120.500 0.116 0.000 2.522 433 R HA 0.090 4.444 4.340 0.023 0.000 0.284 433 R C -0.070 176.296 176.300 0.111 0.000 1.032 433 R CA 0.055 56.214 56.100 0.098 0.000 1.049 433 R CB 0.458 30.791 30.300 0.055 0.000 0.956 433 R HN 0.140 nan 8.270 nan 0.000 0.422 434 R N 4.639 125.182 120.500 0.072 0.000 2.500 434 R HA 0.251 4.605 4.340 0.023 0.000 0.275 434 R C -2.089 174.224 176.300 0.022 0.000 1.051 434 R CA -1.848 54.273 56.100 0.036 0.000 1.088 434 R CB 0.365 30.630 30.300 -0.058 0.000 1.063 434 R HN 0.505 nan 8.270 nan 0.000 0.511 435 P HA -0.118 nan 4.420 nan 0.000 0.262 435 P C -0.513 176.787 177.300 -0.000 0.000 1.182 435 P CA 0.284 63.389 63.100 0.007 0.000 0.761 435 P CB 0.372 32.073 31.700 0.002 0.000 0.795 436 E N 2.151 122.353 120.200 0.003 0.000 2.529 436 E HA 0.083 4.446 4.350 0.023 0.000 0.259 436 E C 1.192 177.789 176.600 -0.005 0.000 0.966 436 E CA 1.042 57.444 56.400 0.002 0.000 0.937 436 E CB -0.359 29.343 29.700 0.004 0.000 0.923 436 E HN 0.776 nan 8.360 nan 0.000 0.468 437 G N 3.365 112.162 108.800 -0.004 0.000 2.195 437 G HA2 -0.343 3.631 3.960 0.023 0.000 0.246 437 G HA3 -0.343 3.631 3.960 0.023 0.000 0.246 437 G C 0.202 175.090 174.900 -0.021 0.000 0.984 437 G CA 0.441 45.535 45.100 -0.010 0.000 0.633 437 G HN 0.620 nan 8.290 nan 0.000 0.525 438 Q N 0.653 120.438 119.800 -0.025 0.000 2.267 438 Q HA 0.656 5.009 4.340 0.023 0.000 0.255 438 Q C 0.058 176.031 176.000 -0.045 0.000 0.923 438 Q CA -0.534 55.245 55.803 -0.040 0.000 0.925 438 Q CB 0.489 29.201 28.738 -0.043 0.000 1.195 438 Q HN 0.466 nan 8.270 nan 0.000 0.417 439 L N 5.068 126.263 121.223 -0.046 0.000 2.352 439 L HA 0.545 4.899 4.340 0.023 0.000 0.269 439 L C -2.096 174.718 176.870 -0.093 0.000 1.034 439 L CA -2.631 52.190 54.840 -0.030 0.000 0.806 439 L CB 1.356 43.429 42.059 0.024 0.000 1.244 439 L HN 0.628 nan 8.230 nan 0.000 0.447 440 P HA 0.103 nan 4.420 nan 0.000 0.264 440 P C -2.477 174.719 177.300 -0.173 0.000 1.193 440 P CA -0.715 62.177 63.100 -0.347 0.000 0.763 440 P CB -0.141 31.183 31.700 -0.626 0.000 0.810 441 P HA 0.085 nan 4.420 nan 0.000 0.271 441 P C 0.722 178.156 177.300 0.222 0.000 1.233 441 P CA 0.032 63.156 63.100 0.039 0.000 0.789 441 P CB 0.255 31.972 31.700 0.029 0.000 0.951 442 I N -1.495 119.211 120.570 0.228 0.000 3.883 442 I HA 0.348 4.532 4.170 0.023 0.000 0.326 442 I C 0.103 176.398 176.117 0.297 0.000 1.283 442 I CA 0.076 61.527 61.300 0.252 0.000 1.161 442 I CB 0.337 38.478 38.000 0.235 0.000 1.012 442 I HN -0.022 nan 8.210 nan 0.000 0.421 443 V N 0.859 120.951 119.914 0.297 0.000 2.969 443 V HA 0.298 4.432 4.120 0.023 0.000 0.304 443 V C 0.918 177.184 176.094 0.287 0.000 1.192 443 V CA 0.156 62.618 62.300 0.271 0.000 0.962 443 V CB 2.439 34.383 31.823 0.202 0.000 1.045 443 V HN 0.362 nan 8.190 nan 0.000 0.428 444 T N 1.207 115.947 114.554 0.309 0.000 3.081 444 T HA 0.332 4.696 4.350 0.023 0.000 0.250 444 T C 0.373 175.184 174.700 0.185 0.000 1.100 444 T CA 0.633 62.960 62.100 0.378 0.000 1.038 444 T CB -0.279 68.915 68.868 0.543 0.000 0.962 444 T HN 0.715 nan 8.240 nan 0.000 0.516 445 H N 0.648 119.674 119.070 -0.073 0.000 2.731 445 H HA 0.557 5.126 4.556 0.022 0.000 0.368 445 H C -0.438 174.833 175.328 -0.095 0.000 1.168 445 H CA -1.163 54.785 56.048 -0.167 0.000 1.181 445 H CB 0.871 30.407 29.762 -0.376 0.000 1.743 445 H HN -0.019 nan 8.280 nan 0.000 0.547 446 N N 1.853 120.567 118.700 0.025 0.000 2.458 446 N HA 0.117 4.871 4.740 0.023 0.000 0.270 446 N C -0.520 174.992 175.510 0.003 0.000 1.102 446 N CA -0.112 52.948 53.050 0.016 0.000 0.967 446 N CB 0.710 39.201 38.487 0.006 0.000 1.078 446 N HN 0.377 nan 8.380 nan 0.000 0.471 447 M N 1.906 121.510 119.600 0.007 0.000 2.318 447 M HA 0.195 4.689 4.480 0.023 0.000 0.347 447 M C 1.547 177.849 176.300 0.003 0.000 1.175 447 M CA -0.582 54.716 55.300 -0.003 0.000 1.075 447 M CB 1.510 34.126 32.600 0.028 0.000 1.614 447 M HN 0.164 nan 8.290 nan 0.000 0.456 448 V N 1.169 121.079 119.914 -0.006 0.000 2.261 448 V HA -0.176 3.957 4.120 0.023 0.000 0.246 448 V C 0.740 176.837 176.094 0.006 0.000 1.047 448 V CA 1.985 64.283 62.300 -0.004 0.000 1.015 448 V CB -0.285 31.531 31.823 -0.012 0.000 0.642 448 V HN 0.846 nan 8.190 nan 0.000 0.446 449 D N -1.105 119.302 120.400 0.012 0.000 2.502 449 D HA 0.139 4.792 4.640 0.023 0.000 0.301 449 D C 0.831 177.152 176.300 0.034 0.000 1.202 449 D CA -0.183 53.826 54.000 0.016 0.000 0.878 449 D CB 0.281 41.084 40.800 0.004 0.000 1.062 449 D HN 0.109 nan 8.370 nan 0.000 0.499 450 D N 1.436 121.861 120.400 0.041 0.000 2.123 450 D HA -0.175 4.478 4.640 0.023 0.000 0.196 450 D C 1.718 178.054 176.300 0.061 0.000 0.992 450 D CA 1.209 55.247 54.000 0.062 0.000 0.833 450 D CB 0.317 41.151 40.800 0.057 0.000 0.954 450 D HN 0.410 nan 8.370 nan 0.000 0.455 451 A N 0.134 122.978 122.820 0.041 0.000 2.019 451 A HA -0.121 4.212 4.320 0.023 0.000 0.219 451 A C 1.777 179.377 177.584 0.026 0.000 1.164 451 A CA 1.106 53.164 52.037 0.035 0.000 0.644 451 A CB -0.192 18.823 19.000 0.024 0.000 0.805 451 A HN 0.242 nan 8.150 nan 0.000 0.449 452 N N -0.023 118.688 118.700 0.019 0.000 2.214 452 N HA 0.046 4.799 4.740 0.023 0.000 0.214 452 N C -0.735 174.771 175.510 -0.006 0.000 1.132 452 N CA -0.058 52.992 53.050 -0.000 0.000 0.856 452 N CB 0.211 38.691 38.487 -0.011 0.000 1.020 452 N HN 0.500 nan 8.380 nan 0.000 0.509 453 D N 0.847 121.269 120.400 0.036 0.000 2.417 453 D HA 0.071 4.724 4.640 0.023 0.000 0.250 453 D C 1.565 177.870 176.300 0.009 0.000 1.166 453 D CA -0.090 53.957 54.000 0.077 0.000 0.881 453 D CB 0.970 41.885 40.800 0.191 0.000 1.164 453 D HN -0.039 nan 8.370 nan 0.000 0.467 454 L N 3.723 124.907 121.223 -0.065 0.000 1.989 454 L HA -0.194 4.160 4.340 0.023 0.000 0.211 454 L C 2.253 178.942 176.870 -0.302 0.000 1.071 454 L CA 0.985 55.603 54.840 -0.368 0.000 0.749 454 L CB -0.390 41.232 42.059 -0.728 0.000 0.890 454 L HN 0.652 nan 8.230 nan 0.000 0.431 455 I N -0.447 120.070 120.570 -0.088 0.000 2.179 455 I HA -0.313 3.871 4.170 0.023 0.000 0.242 455 I C 2.466 178.537 176.117 -0.077 0.000 1.088 455 I CA 1.321 62.554 61.300 -0.111 0.000 1.357 455 I CB -0.171 37.497 38.000 -0.552 0.000 1.051 455 I HN 0.206 nan 8.210 nan 0.000 0.409 456 L N 0.364 121.592 121.223 0.009 0.000 2.083 456 L HA -0.218 4.135 4.340 0.023 0.000 0.209 456 L C 2.245 179.160 176.870 0.074 0.000 1.083 456 L CA 1.150 56.050 54.840 0.101 0.000 0.752 456 L CB -0.708 41.471 42.059 0.200 0.000 0.899 456 L HN 0.319 nan 8.230 nan 0.000 0.433 457 N N -0.217 118.507 118.700 0.040 0.000 2.223 457 N HA -0.174 4.579 4.740 0.023 0.000 0.185 457 N C 1.839 177.367 175.510 0.029 0.000 1.016 457 N CA 0.903 53.972 53.050 0.032 0.000 0.863 457 N CB -0.152 38.333 38.487 -0.003 0.000 0.983 457 N HN 0.144 nan 8.380 nan 0.000 0.429 458 K N 1.451 121.868 120.400 0.027 0.000 2.025 458 K HA 0.060 4.394 4.320 0.023 0.000 0.207 458 K C 2.046 178.651 176.600 0.008 0.000 1.049 458 K CA 0.596 56.919 56.287 0.061 0.000 0.933 458 K CB -0.484 32.120 32.500 0.174 0.000 0.714 458 K HN 0.186 nan 8.250 nan 0.000 0.438 459 I N 0.612 121.178 120.570 -0.006 0.000 2.208 459 I HA -0.299 3.885 4.170 0.023 0.000 0.245 459 I C 2.428 178.473 176.117 -0.121 0.000 1.097 459 I CA 1.274 62.536 61.300 -0.063 0.000 1.363 459 I CB -0.171 37.820 38.000 -0.016 0.000 1.051 459 I HN 0.134 nan 8.210 nan 0.000 0.413 460 R N 0.044 120.549 120.500 0.009 0.000 2.115 460 R HA -0.176 4.178 4.340 0.023 0.000 0.230 460 R C 2.327 178.648 176.300 0.035 0.000 1.111 460 R CA 0.965 57.129 56.100 0.107 0.000 0.976 460 R CB -0.307 30.117 30.300 0.207 0.000 0.870 460 R HN 0.440 nan 8.270 nan 0.000 0.445 461 Q N 1.093 120.895 119.800 0.004 0.000 2.083 461 Q HA -0.095 4.258 4.340 0.023 0.000 0.198 461 Q C 1.956 177.926 176.000 -0.051 0.000 0.969 461 Q CA 1.847 57.651 55.803 0.002 0.000 0.838 461 Q CB 0.205 28.952 28.738 0.015 0.000 0.900 461 Q HN 0.357 nan 8.270 nan 0.000 0.436 462 V N -1.799 118.053 119.914 -0.103 0.000 3.461 462 V HA 0.063 4.197 4.120 0.023 0.000 0.267 462 V C 0.368 176.322 176.094 -0.234 0.000 1.186 462 V CA 0.786 63.006 62.300 -0.132 0.000 1.154 462 V CB -0.519 31.232 31.823 -0.120 0.000 0.802 462 V HN 0.419 nan 8.190 nan 0.000 0.474 463 Q N -0.123 119.426 119.800 -0.418 0.000 2.470 463 Q HA -0.164 4.190 4.340 0.023 0.000 0.294 463 Q C -0.277 175.213 176.000 -0.849 0.000 1.356 463 Q CA 0.594 55.861 55.803 -0.893 0.000 0.805 463 Q CB -1.885 26.656 28.738 -0.329 0.000 1.157 463 Q HN 0.686 nan 8.270 nan 0.000 0.431 464 L N 0.984 121.803 121.223 -0.674 0.000 2.356 464 L HA 0.202 4.556 4.340 0.023 0.000 0.282 464 L C 0.375 177.049 176.870 -0.327 0.000 1.132 464 L CA -0.106 54.506 54.840 -0.379 0.000 0.923 464 L CB 0.011 41.939 42.059 -0.218 0.000 1.278 464 L HN 0.209 nan 8.230 nan 0.000 0.436 465 F N 1.080 121.048 119.950 0.031 0.000 2.639 465 F HA 0.210 4.750 4.527 0.022 0.000 0.302 465 F C 0.899 176.732 175.800 0.055 0.000 1.097 465 F CA -0.746 57.278 58.000 0.041 0.000 1.294 465 F CB -0.274 38.745 39.000 0.032 0.000 1.027 465 F HN 0.468 nan 8.300 nan 0.000 0.550 466 N N 0.240 119.058 118.700 0.197 0.000 2.754 466 N HA -0.186 4.568 4.740 0.023 0.000 0.248 466 N C 0.239 175.874 175.510 0.208 0.000 1.093 466 N CA 0.930 54.108 53.050 0.212 0.000 0.699 466 N CB -1.656 36.968 38.487 0.229 0.000 1.016 466 N HN 0.386 nan 8.380 nan 0.000 0.552 467 S N -1.023 114.780 115.700 0.171 0.000 2.593 467 S HA 0.418 4.902 4.470 0.023 0.000 0.269 467 S C -1.120 173.551 174.600 0.117 0.000 1.334 467 S CA -0.925 57.359 58.200 0.140 0.000 1.015 467 S CB 1.715 64.991 63.200 0.126 0.000 0.912 467 S HN -0.131 nan 8.310 nan 0.000 0.541 468 P HA -0.098 nan 4.420 nan 0.000 0.217 468 P C 1.443 178.770 177.300 0.045 0.000 1.148 468 P CA 1.535 64.693 63.100 0.095 0.000 0.828 468 P CB -0.185 31.563 31.700 0.080 0.000 0.783 469 S N -2.801 112.919 115.700 0.034 0.000 2.562 469 S HA 0.011 4.495 4.470 0.023 0.000 0.221 469 S C 0.655 175.244 174.600 -0.017 0.000 0.975 469 S CA 0.018 58.222 58.200 0.005 0.000 0.918 469 S CB -0.743 62.464 63.200 0.013 0.000 0.772 469 S HN 0.006 nan 8.310 nan 0.000 0.531 470 D N 2.091 122.484 120.400 -0.012 0.000 2.348 470 D HA 0.248 4.901 4.640 0.023 0.000 0.253 470 D C 0.850 177.081 176.300 -0.115 0.000 1.161 470 D CA -0.198 53.773 54.000 -0.048 0.000 0.876 470 D CB 0.837 41.623 40.800 -0.023 0.000 1.160 470 D HN 0.112 nan 8.370 nan 0.000 0.459 471 R N 1.113 121.529 120.500 -0.139 0.000 2.280 471 R HA 0.116 4.469 4.340 0.023 0.000 0.195 471 R C -0.057 176.094 176.300 -0.249 0.000 0.935 471 R CA 0.076 56.056 56.100 -0.201 0.000 1.033 471 R CB 0.489 30.689 30.300 -0.167 0.000 0.964 471 R HN 0.189 nan 8.270 nan 0.000 0.489 472 V N 3.242 123.033 119.914 -0.204 0.000 2.384 472 V HA 0.228 4.361 4.120 0.023 0.000 0.287 472 V C -0.080 175.915 176.094 -0.165 0.000 1.020 472 V CA -0.777 61.389 62.300 -0.224 0.000 0.850 472 V CB 1.948 33.648 31.823 -0.206 0.000 0.987 472 V HN -0.057 nan 8.190 nan 0.000 0.436 473 K N 5.026 125.332 120.400 -0.157 0.000 2.118 473 K HA 0.689 5.022 4.320 0.023 0.000 0.254 473 K C -0.804 175.790 176.600 -0.011 0.000 0.961 473 K CA -0.752 55.530 56.287 -0.008 0.000 0.876 473 K CB 1.911 34.492 32.500 0.136 0.000 1.077 473 K HN 0.402 nan 8.250 nan 0.000 0.440 474 M N 2.821 122.447 119.600 0.043 0.000 2.321 474 M HA 0.490 4.984 4.480 0.023 0.000 0.315 474 M C -0.518 175.824 176.300 0.069 0.000 1.052 474 M CA -0.488 54.828 55.300 0.025 0.000 0.936 474 M CB 0.989 33.596 32.600 0.011 0.000 1.639 474 M HN 0.469 nan 8.290 nan 0.000 0.433 475 I N 3.669 124.268 120.570 0.049 0.000 2.517 475 I HA 0.264 4.448 4.170 0.023 0.000 0.280 475 I C -1.073 175.235 176.117 0.319 0.000 1.061 475 I CA -0.542 60.822 61.300 0.106 0.000 1.091 475 I CB 1.694 39.630 38.000 -0.108 0.000 1.205 475 I HN 0.437 nan 8.210 nan 0.000 0.459 476 F N 6.627 126.678 119.950 0.168 0.000 2.424 476 F HA 0.294 4.834 4.527 0.022 0.000 0.356 476 F C 0.066 175.990 175.800 0.207 0.000 1.110 476 F CA -0.239 57.862 58.000 0.169 0.000 1.161 476 F CB 0.277 39.341 39.000 0.107 0.000 1.115 476 F HN 0.412 nan 8.300 nan 0.000 0.507 477 H N 8.620 127.787 119.070 0.161 0.000 2.530 477 H HA 0.317 4.887 4.556 0.023 0.000 0.246 477 H C -2.480 172.589 175.328 -0.431 0.000 1.346 477 H CA -2.119 53.863 56.048 -0.110 0.000 1.424 477 H CB 1.195 30.992 29.762 0.059 0.000 1.445 477 H HN 0.357 nan 8.280 nan 0.000 0.511 478 P HA 0.096 nan 4.420 nan 0.000 0.249 478 P C -0.308 176.533 177.300 -0.765 0.000 1.686 478 P CA 0.383 62.910 63.100 -0.956 0.000 0.873 478 P CB -0.057 30.942 31.700 -1.169 0.000 1.828 479 E N 0.223 120.062 120.200 -0.601 0.000 2.380 479 E HA 0.284 4.647 4.350 0.023 0.000 0.281 479 E C -1.000 175.542 176.600 -0.095 0.000 0.999 479 E CA -0.808 55.320 56.400 -0.454 0.000 0.800 479 E CB 1.025 30.377 29.700 -0.581 0.000 1.228 479 E HN -0.212 nan 8.360 nan 0.000 0.436 480 F N 2.055 122.005 119.950 -0.001 0.000 2.595 480 F HA 0.120 4.660 4.527 0.022 0.000 0.359 480 F C 0.707 176.548 175.800 0.068 0.000 1.147 480 F CA 0.139 58.147 58.000 0.013 0.000 1.341 480 F CB 0.242 39.227 39.000 -0.025 0.000 1.104 480 F HN 0.318 nan 8.300 nan 0.000 0.603 481 L N 3.550 124.907 121.223 0.223 0.000 2.397 481 L HA 0.245 4.598 4.340 0.023 0.000 0.271 481 L C 0.246 177.173 176.870 0.095 0.000 1.148 481 L CA -0.116 54.757 54.840 0.054 0.000 0.825 481 L CB 0.431 42.409 42.059 -0.134 0.000 1.117 481 L HN 0.596 nan 8.230 nan 0.000 0.456 482 N N 0.820 119.567 118.700 0.077 0.000 2.371 482 N HA 0.249 5.002 4.740 0.023 0.000 0.280 482 N C 0.162 175.699 175.510 0.045 0.000 1.084 482 N CA -0.097 52.995 53.050 0.070 0.000 0.892 482 N CB 2.145 40.692 38.487 0.100 0.000 1.653 482 N HN 0.601 nan 8.380 nan 0.000 0.480 483 A N 3.146 125.982 122.820 0.027 0.000 2.076 483 A HA -0.141 4.193 4.320 0.023 0.000 0.220 483 A C 1.510 179.105 177.584 0.018 0.000 1.160 483 A CA 1.386 53.431 52.037 0.013 0.000 0.653 483 A CB -0.579 18.426 19.000 0.008 0.000 0.801 483 A HN 0.860 nan 8.150 nan 0.000 0.455 484 N N 0.007 118.728 118.700 0.035 0.000 2.459 484 N HA -0.065 4.688 4.740 0.023 0.000 0.181 484 N C -0.226 175.309 175.510 0.043 0.000 1.046 484 N CA -0.163 52.909 53.050 0.037 0.000 0.904 484 N CB -0.066 38.449 38.487 0.048 0.000 0.964 484 N HN 0.419 nan 8.380 nan 0.000 0.444 485 N N 1.183 119.924 118.700 0.068 0.000 2.479 485 N HA 0.021 4.774 4.740 0.023 0.000 0.257 485 N C -1.719 173.748 175.510 -0.072 0.000 1.232 485 N CA -0.919 52.175 53.050 0.075 0.000 0.920 485 N CB 0.674 39.300 38.487 0.232 0.000 1.105 485 N HN 0.054 nan 8.380 nan 0.000 0.444 486 P HA 0.105 nan 4.420 nan 0.000 0.235 486 P C 1.115 178.269 177.300 -0.243 0.000 1.177 486 P CA 0.597 63.538 63.100 -0.264 0.000 0.785 486 P CB 0.270 31.755 31.700 -0.358 0.000 0.885 487 I N -5.179 115.224 120.570 -0.279 0.000 3.718 487 I HA 0.269 4.453 4.170 0.023 0.000 0.297 487 I C 0.347 176.503 176.117 0.065 0.000 1.220 487 I CA 0.221 61.492 61.300 -0.049 0.000 1.381 487 I CB 0.287 38.306 38.000 0.031 0.000 1.238 487 I HN -0.279 nan 8.210 nan 0.000 0.448 488 L N 2.929 124.119 121.223 -0.057 0.000 2.488 488 L HA 0.605 4.959 4.340 0.023 0.000 0.250 488 L C 0.431 177.240 176.870 -0.101 0.000 1.280 488 L CA -0.297 54.452 54.840 -0.151 0.000 0.929 488 L CB 0.793 42.573 42.059 -0.465 0.000 1.200 488 L HN 0.161 nan 8.230 nan 0.000 0.495 489 G N 4.345 113.117 108.800 -0.047 0.000 3.090 489 G HA2 0.331 4.305 3.960 0.023 0.000 0.259 489 G HA3 0.331 4.305 3.960 0.023 0.000 0.259 489 G C -0.253 174.628 174.900 -0.032 0.000 0.797 489 G CA -0.015 45.066 45.100 -0.031 0.000 2.032 489 G HN 0.409 nan 8.290 nan 0.000 0.614 490 L N 0.608 121.801 121.223 -0.050 0.000 2.408 490 L HA 0.371 4.724 4.340 0.023 0.000 0.268 490 L C -0.644 176.213 176.870 -0.022 0.000 0.986 490 L CA -1.244 53.574 54.840 -0.036 0.000 0.820 490 L CB 2.258 44.296 42.059 -0.035 0.000 1.303 490 L HN 0.078 nan 8.230 nan 0.000 0.411 491 D N 0.163 120.565 120.400 0.004 0.000 2.360 491 D HA -0.037 4.617 4.640 0.023 0.000 0.242 491 D C 0.534 176.870 176.300 0.059 0.000 1.184 491 D CA 0.022 54.042 54.000 0.034 0.000 0.930 491 D CB 0.987 41.808 40.800 0.034 0.000 1.161 491 D HN 0.400 nan 8.370 nan 0.000 0.447 492 Y N 1.472 121.751 120.300 -0.035 0.000 2.128 492 Y HA -0.274 4.290 4.550 0.023 0.000 0.284 492 Y C 1.962 177.874 175.900 0.020 0.000 1.154 492 Y CA 2.346 60.434 58.100 -0.020 0.000 1.149 492 Y CB -0.083 38.361 38.460 -0.027 0.000 0.976 492 Y HN 0.467 nan 8.280 nan 0.000 0.505 493 D N -0.480 119.890 120.400 -0.050 0.000 2.144 493 D HA -0.224 4.430 4.640 0.023 0.000 0.199 493 D C 1.616 177.840 176.300 -0.127 0.000 0.984 493 D CA 1.799 55.723 54.000 -0.126 0.000 0.834 493 D CB -0.653 40.146 40.800 -0.001 0.000 0.955 493 D HN 0.599 nan 8.370 nan 0.000 0.465 494 E N -0.257 119.903 120.200 -0.067 0.000 2.051 494 E HA -0.149 4.214 4.350 0.023 0.000 0.192 494 E C 2.012 178.536 176.600 -0.126 0.000 0.991 494 E CA 0.864 57.224 56.400 -0.066 0.000 0.799 494 E CB -0.384 29.296 29.700 -0.033 0.000 0.748 494 E HN 0.319 nan 8.360 nan 0.000 0.449 495 F N 1.452 121.215 119.950 -0.311 0.000 2.102 495 F HA -0.224 4.317 4.527 0.023 0.000 0.298 495 F C 2.125 177.611 175.800 -0.522 0.000 1.105 495 F CA 1.099 58.842 58.000 -0.429 0.000 1.239 495 F CB -0.271 38.437 39.000 -0.485 0.000 0.991 495 F HN -0.214 nan 8.300 nan 0.000 0.474 496 V N 1.272 120.819 119.914 -0.612 0.000 2.287 496 V HA -0.339 3.794 4.120 0.023 0.000 0.248 496 V C 2.524 178.405 176.094 -0.355 0.000 1.053 496 V CA 2.382 64.276 62.300 -0.677 0.000 1.027 496 V CB -0.806 30.724 31.823 -0.488 0.000 0.646 496 V HN 0.306 nan 8.190 nan 0.000 0.447 497 R N 0.165 120.540 120.500 -0.209 0.000 2.105 497 R HA -0.139 4.215 4.340 0.023 0.000 0.239 497 R C 2.356 178.663 176.300 0.011 0.000 1.135 497 R CA 1.520 57.596 56.100 -0.039 0.000 0.967 497 R CB -0.729 29.569 30.300 -0.003 0.000 0.861 497 R HN 0.612 nan 8.270 nan 0.000 0.442 498 G N 0.134 108.809 108.800 -0.208 0.000 2.572 498 G HA2 -0.099 3.874 3.960 0.023 0.000 0.216 498 G HA3 -0.099 3.874 3.960 0.023 0.000 0.216 498 G C 0.567 175.326 174.900 -0.236 0.000 1.133 498 G CA -0.049 44.887 45.100 -0.272 0.000 0.791 498 G HN 0.214 nan 8.290 nan 0.000 0.538 499 C N -0.667 118.447 119.300 -0.309 0.000 2.553 499 C HA 0.479 4.952 4.460 0.023 0.000 0.345 499 C C 1.580 176.570 174.990 -0.001 0.000 1.369 499 C CA -0.079 58.870 59.018 -0.115 0.000 2.447 499 C CB 0.711 28.334 27.740 -0.197 0.000 2.358 499 C HN 0.603 nan 8.230 nan 0.000 0.676 500 H N -0.936 118.354 119.070 0.367 0.000 2.615 500 H HA 0.441 5.010 4.556 0.023 0.000 0.275 500 H C -0.299 175.052 175.328 0.039 0.000 0.981 500 H CA 0.130 56.367 56.048 0.314 0.000 1.252 500 H CB 0.280 30.345 29.762 0.505 0.000 1.447 500 H HN 0.312 nan 8.280 nan 0.000 0.498 501 L N 0.620 121.864 121.223 0.035 0.000 2.505 501 L HA 0.577 4.931 4.340 0.023 0.000 0.266 501 L C -0.399 176.218 176.870 -0.421 0.000 0.954 501 L CA -0.689 53.879 54.840 -0.453 0.000 0.852 501 L CB 1.769 43.093 42.059 -1.225 0.000 1.282 501 L HN 0.131 nan 8.230 nan 0.000 0.403 502 G N 3.558 112.038 108.800 -0.533 0.000 2.356 502 G HA2 0.576 4.549 3.960 0.023 0.000 0.298 502 G HA3 0.576 4.549 3.960 0.023 0.000 0.298 502 G C -1.324 172.762 174.900 -1.356 0.000 1.145 502 G CA -0.406 43.956 45.100 -1.230 0.000 0.850 502 G HN 0.507 nan 8.290 nan 0.000 0.487 503 V N 2.514 121.335 119.914 -1.821 0.000 2.419 503 V HA 0.386 4.519 4.120 0.023 0.000 0.287 503 V C -1.197 174.092 176.094 -1.341 0.000 1.017 503 V CA -0.584 60.979 62.300 -1.229 0.000 0.844 503 V CB 0.790 32.207 31.823 -0.677 0.000 1.011 503 V HN 0.646 nan 8.190 nan 0.000 0.429 504 F N 5.490 125.256 119.950 -0.307 0.000 2.550 504 F HA 0.442 4.983 4.527 0.023 0.000 0.348 504 F C -2.410 173.322 175.800 -0.114 0.000 1.219 504 F CA -2.510 55.352 58.000 -0.231 0.000 1.203 504 F CB 1.386 40.259 39.000 -0.212 0.000 1.436 504 F HN 0.293 nan 8.300 nan 0.000 0.541 505 P HA 0.123 nan 4.420 nan 0.000 0.226 505 P C -0.058 177.300 177.300 0.098 0.000 1.783 505 P CA 0.142 63.280 63.100 0.063 0.000 0.980 505 P CB 0.136 31.869 31.700 0.056 0.000 1.967 506 S N 0.467 116.234 115.700 0.111 0.000 2.579 506 S HA 0.036 4.520 4.470 0.023 0.000 0.275 506 S C 0.545 175.262 174.600 0.196 0.000 1.345 506 S CA -0.012 58.270 58.200 0.137 0.000 1.031 506 S CB 0.509 63.764 63.200 0.092 0.000 0.892 506 S HN 0.363 nan 8.310 nan 0.000 0.529 507 Y N 1.137 121.517 120.300 0.133 0.000 2.539 507 Y HA 0.336 4.899 4.550 0.022 0.000 0.284 507 Y C -0.136 175.983 175.900 0.364 0.000 1.134 507 Y CA 0.094 58.325 58.100 0.218 0.000 1.251 507 Y CB 0.334 38.919 38.460 0.208 0.000 1.260 507 Y HN 0.685 nan 8.280 nan 0.000 0.528 508 Y N 1.898 122.322 120.300 0.206 0.000 2.326 508 Y HA 0.482 5.045 4.550 0.023 0.000 0.329 508 Y C -1.129 174.842 175.900 0.119 0.000 0.973 508 Y CA -1.039 57.131 58.100 0.117 0.000 1.162 508 Y CB 1.100 39.587 38.460 0.043 0.000 1.147 508 Y HN 0.185 nan 8.280 nan 0.000 0.456 509 E N 8.160 128.114 120.200 -0.411 0.000 2.656 509 E HA 0.215 4.578 4.350 0.023 0.000 0.395 509 E C -2.671 173.803 176.600 -0.211 0.000 1.028 509 E CA -1.321 54.958 56.400 -0.203 0.000 0.728 509 E CB 1.036 30.699 29.700 -0.061 0.000 1.577 509 E HN 0.395 nan 8.360 nan 0.000 0.384 510 P HA -0.125 nan 4.420 nan 0.000 0.216 510 P C -0.417 176.960 177.300 0.127 0.000 1.153 510 P CA 1.110 64.186 63.100 -0.041 0.000 0.858 510 P CB 0.156 31.887 31.700 0.052 0.000 0.789 511 W N -0.471 120.760 121.300 -0.114 0.000 2.957 511 W HA 0.489 5.162 4.660 0.022 0.000 0.336 511 W C -0.717 175.661 176.519 -0.235 0.000 1.087 511 W CA -0.924 56.291 57.345 -0.216 0.000 1.235 511 W CB 1.941 31.162 29.460 -0.399 0.000 1.399 511 W HN -0.170 nan 8.180 nan 0.000 0.480 512 G N 4.334 112.494 108.800 -1.068 0.000 3.064 512 G HA2 0.089 4.062 3.960 0.023 0.000 0.286 512 G HA3 0.089 4.062 3.960 0.023 0.000 0.286 512 G C 0.046 174.385 174.900 -0.936 0.000 0.834 512 G CA -0.090 44.516 45.100 -0.823 0.000 1.856 512 G HN 0.649 nan 8.290 nan 0.000 0.559 513 Y N 1.357 121.434 120.300 -0.372 0.000 2.165 513 Y HA -0.219 4.345 4.550 0.023 0.000 0.286 513 Y C 3.077 178.803 175.900 -0.290 0.000 1.155 513 Y CA 2.086 60.115 58.100 -0.118 0.000 1.164 513 Y CB -0.419 38.071 38.460 0.051 0.000 0.978 513 Y HN 0.432 nan 8.280 nan 0.000 0.513 514 T N 1.052 115.455 114.554 -0.252 0.000 2.643 514 T HA -0.119 4.244 4.350 0.023 0.000 0.264 514 T C -0.395 173.854 174.700 -0.751 0.000 1.045 514 T CA 1.783 63.614 62.100 -0.447 0.000 1.155 514 T CB -1.416 67.085 68.868 -0.611 0.000 0.863 514 T HN 0.267 nan 8.240 nan 0.000 0.420 515 P HA 0.098 nan 4.420 nan 0.000 0.223 515 P C 1.310 178.014 177.300 -0.994 0.000 1.151 515 P CA 0.996 63.504 63.100 -0.986 0.000 0.787 515 P CB -0.126 30.979 31.700 -0.992 0.000 0.788 516 A N 0.902 123.096 122.820 -1.042 0.000 1.855 516 A HA -0.190 4.144 4.320 0.023 0.000 0.215 516 A C 2.348 179.821 177.584 -0.184 0.000 1.191 516 A CA 1.485 53.190 52.037 -0.553 0.000 0.613 516 A CB -1.364 17.510 19.000 -0.210 0.000 0.829 516 A HN 0.108 nan 8.150 nan 0.000 0.442 517 E N -0.998 119.131 120.200 -0.119 0.000 2.058 517 E HA -0.238 4.125 4.350 0.023 0.000 0.194 517 E C 2.117 178.714 176.600 -0.004 0.000 0.997 517 E CA 1.279 57.676 56.400 -0.005 0.000 0.801 517 E CB -0.331 29.415 29.700 0.078 0.000 0.746 517 E HN 0.656 nan 8.360 nan 0.000 0.450 518 C N 0.437 119.721 119.300 -0.027 0.000 2.413 518 C HA -0.170 4.303 4.460 0.023 0.000 0.276 518 C C 2.829 177.848 174.990 0.049 0.000 1.248 518 C CA 1.738 60.799 59.018 0.072 0.000 1.742 518 C CB -1.073 26.758 27.740 0.152 0.000 2.017 518 C HN 0.509 nan 8.230 nan 0.000 0.481 519 T N -0.003 114.552 114.554 0.002 0.000 2.746 519 T HA -0.154 4.210 4.350 0.023 0.000 0.267 519 T C 1.727 176.443 174.700 0.028 0.000 1.039 519 T CA 1.783 63.916 62.100 0.056 0.000 1.142 519 T CB -0.357 68.587 68.868 0.127 0.000 0.866 519 T HN 0.418 nan 8.240 nan 0.000 0.444 520 V N 1.930 121.850 119.914 0.010 0.000 2.490 520 V HA -0.099 4.034 4.120 0.023 0.000 0.250 520 V C 2.277 178.347 176.094 -0.040 0.000 1.061 520 V CA 1.205 63.494 62.300 -0.018 0.000 1.064 520 V CB -0.587 31.230 31.823 -0.010 0.000 0.670 520 V HN 0.531 nan 8.190 nan 0.000 0.461 521 M N -0.341 119.258 119.600 -0.001 0.000 2.659 521 M HA 0.197 4.690 4.480 0.023 0.000 0.243 521 M C 1.634 177.960 176.300 0.043 0.000 1.111 521 M CA 1.142 56.460 55.300 0.030 0.000 1.070 521 M CB -0.776 31.850 32.600 0.043 0.000 1.525 521 M HN 0.524 nan 8.290 nan 0.000 0.517 522 G N 1.452 110.236 108.800 -0.027 0.000 2.176 522 G HA2 -0.188 3.785 3.960 0.023 0.000 0.252 522 G HA3 -0.188 3.785 3.960 0.023 0.000 0.252 522 G C -0.129 174.863 174.900 0.153 0.000 1.024 522 G CA -0.046 45.051 45.100 -0.005 0.000 0.755 522 G HN 0.367 nan 8.290 nan 0.000 0.507 523 V N 0.891 120.878 119.914 0.120 0.000 2.417 523 V HA 0.483 4.617 4.120 0.023 0.000 0.291 523 V C -1.655 174.511 176.094 0.119 0.000 1.024 523 V CA -1.920 60.457 62.300 0.129 0.000 0.861 523 V CB 1.942 33.855 31.823 0.150 0.000 0.985 523 V HN 0.102 nan 8.190 nan 0.000 0.436 524 P HA 0.212 nan 4.420 nan 0.000 0.267 524 P C -0.492 176.814 177.300 0.011 0.000 1.200 524 P CA 0.202 63.362 63.100 0.099 0.000 0.772 524 P CB 0.581 32.357 31.700 0.127 0.000 0.855 525 S N 1.148 116.892 115.700 0.073 0.000 2.579 525 S HA 0.668 5.151 4.470 0.023 0.000 0.272 525 S C -0.963 173.682 174.600 0.075 0.000 1.141 525 S CA -0.884 57.322 58.200 0.010 0.000 0.843 525 S CB 0.904 64.210 63.200 0.178 0.000 1.122 525 S HN 0.202 nan 8.310 nan 0.000 0.468 526 I N 1.926 122.454 120.570 -0.071 0.000 2.362 526 I HA 0.518 4.702 4.170 0.023 0.000 0.289 526 I C 0.379 176.554 176.117 0.096 0.000 0.994 526 I CA -0.285 61.025 61.300 0.017 0.000 1.158 526 I CB 1.846 39.789 38.000 -0.095 0.000 1.315 526 I HN 0.827 nan 8.210 nan 0.000 0.451 527 T N 3.495 118.149 114.554 0.166 0.000 2.762 527 T HA 0.685 5.049 4.350 0.023 0.000 0.272 527 T C -0.316 174.460 174.700 0.126 0.000 0.982 527 T CA -0.279 61.925 62.100 0.174 0.000 1.013 527 T CB 1.833 70.857 68.868 0.260 0.000 1.309 527 T HN 0.743 nan 8.240 nan 0.000 0.572 528 T N -0.146 114.458 114.554 0.083 0.000 2.907 528 T HA 0.419 4.783 4.350 0.023 0.000 0.290 528 T C 0.658 175.346 174.700 -0.020 0.000 1.066 528 T CA -0.711 61.413 62.100 0.040 0.000 1.012 528 T CB 1.257 70.139 68.868 0.023 0.000 1.184 528 T HN 0.603 nan 8.240 nan 0.000 0.522 529 N N 0.410 119.071 118.700 -0.064 0.000 2.467 529 N HA -0.053 4.700 4.740 0.023 0.000 0.184 529 N C 1.438 176.819 175.510 -0.215 0.000 1.106 529 N CA 0.903 53.885 53.050 -0.114 0.000 0.892 529 N CB -0.590 37.842 38.487 -0.092 0.000 0.969 529 N HN 0.645 nan 8.380 nan 0.000 0.454 530 V N -3.812 115.939 119.914 -0.273 0.000 3.647 530 V HA 0.287 4.421 4.120 0.023 0.000 0.279 530 V C 0.675 176.655 176.094 -0.190 0.000 1.314 530 V CA -0.399 61.662 62.300 -0.399 0.000 1.125 530 V CB -0.756 30.609 31.823 -0.764 0.000 0.907 530 V HN 0.230 nan 8.190 nan 0.000 0.434 531 S N 0.905 116.535 115.700 -0.117 0.000 2.525 531 S HA 0.595 5.078 4.470 0.023 0.000 0.278 531 S C 1.553 176.106 174.600 -0.079 0.000 1.234 531 S CA 0.211 58.360 58.200 -0.085 0.000 1.058 531 S CB 1.306 64.475 63.200 -0.050 0.000 0.983 531 S HN 0.587 nan 8.310 nan 0.000 0.495 532 G N 3.378 112.135 108.800 -0.072 0.000 2.450 532 G HA2 -0.185 3.789 3.960 0.023 0.000 0.220 532 G HA3 -0.185 3.789 3.960 0.023 0.000 0.220 532 G C 1.007 175.860 174.900 -0.078 0.000 1.130 532 G CA 0.854 45.968 45.100 0.024 0.000 0.760 532 G HN 0.784 nan 8.290 nan 0.000 0.557 533 F N 2.000 121.600 119.950 -0.583 0.000 2.234 533 F HA 0.182 4.722 4.527 0.023 0.000 0.296 533 F C 2.478 178.131 175.800 -0.245 0.000 1.089 533 F CA 1.358 58.915 58.000 -0.738 0.000 1.343 533 F CB -0.249 38.180 39.000 -0.952 0.000 1.040 533 F HN 0.082 nan 8.300 nan 0.000 0.498 534 G N -0.329 108.393 108.800 -0.130 0.000 2.408 534 G HA2 -0.268 3.706 3.960 0.023 0.000 0.217 534 G HA3 -0.268 3.706 3.960 0.023 0.000 0.217 534 G C 1.751 176.552 174.900 -0.164 0.000 1.150 534 G CA 1.015 46.026 45.100 -0.148 0.000 0.776 534 G HN 0.499 nan 8.290 nan 0.000 0.542 535 S N -0.510 115.133 115.700 -0.096 0.000 2.406 535 S HA -0.121 4.363 4.470 0.023 0.000 0.228 535 S C 2.175 176.752 174.600 -0.037 0.000 1.020 535 S CA 1.283 59.449 58.200 -0.056 0.000 0.965 535 S CB -0.584 62.606 63.200 -0.017 0.000 0.798 535 S HN 0.464 nan 8.310 nan 0.000 0.488 536 Y N 1.288 121.505 120.300 -0.140 0.000 2.242 536 Y HA 0.114 4.678 4.550 0.023 0.000 0.291 536 Y C 2.299 178.074 175.900 -0.208 0.000 1.137 536 Y CA 1.564 59.599 58.100 -0.109 0.000 1.181 536 Y CB -0.358 38.120 38.460 0.030 0.000 0.989 536 Y HN 0.273 nan 8.280 nan 0.000 0.527 537 M N 0.487 119.838 119.600 -0.414 0.000 2.288 537 M HA -0.070 4.424 4.480 0.023 0.000 0.266 537 M C 2.142 178.226 176.300 -0.359 0.000 1.072 537 M CA 1.442 56.439 55.300 -0.505 0.000 1.132 537 M CB -0.437 31.811 32.600 -0.588 0.000 1.386 537 M HN 0.350 nan 8.290 nan 0.000 0.432 538 E N -0.115 119.929 120.200 -0.261 0.000 2.058 538 E HA -0.228 4.135 4.350 0.023 0.000 0.194 538 E C 0.693 177.190 176.600 -0.172 0.000 0.997 538 E CA 1.479 57.776 56.400 -0.173 0.000 0.801 538 E CB 0.018 29.650 29.700 -0.113 0.000 0.746 538 E HN 0.443 nan 8.360 nan 0.000 0.450 539 D N -0.295 119.986 120.400 -0.198 0.000 2.349 539 D HA -0.023 4.630 4.640 0.023 0.000 0.224 539 D C 1.119 177.283 176.300 -0.227 0.000 1.029 539 D CA 0.241 54.137 54.000 -0.173 0.000 0.879 539 D CB 0.480 41.197 40.800 -0.137 0.000 0.906 539 D HN 0.156 nan 8.370 nan 0.000 0.528 540 L N -0.423 120.614 121.223 -0.309 0.000 2.672 540 L HA 0.335 4.688 4.340 0.023 0.000 0.236 540 L C 0.014 176.728 176.870 -0.260 0.000 1.092 540 L CA 0.394 55.032 54.840 -0.337 0.000 0.887 540 L CB 0.817 42.553 42.059 -0.538 0.000 1.168 540 L HN -0.194 nan 8.230 nan 0.000 0.502 541 I N -0.712 119.720 120.570 -0.229 0.000 2.722 541 I HA 0.223 4.406 4.170 0.023 0.000 0.295 541 I C -0.278 175.768 176.117 -0.119 0.000 1.161 541 I CA -0.826 60.363 61.300 -0.186 0.000 1.032 541 I CB 2.012 39.875 38.000 -0.229 0.000 1.244 541 I HN -0.150 nan 8.210 nan 0.000 0.421 542 E N 3.509 123.664 120.200 -0.075 0.000 2.442 542 E HA -0.003 4.361 4.350 0.023 0.000 0.262 542 E C 0.488 177.064 176.600 -0.039 0.000 1.004 542 E CA 0.430 56.802 56.400 -0.046 0.000 0.928 542 E CB 1.033 30.720 29.700 -0.021 0.000 0.937 542 E HN 0.718 nan 8.360 nan 0.000 0.446 543 T N 4.670 119.204 114.554 -0.033 0.000 2.531 543 T HA -0.228 4.135 4.350 0.023 0.000 0.261 543 T C 1.370 176.056 174.700 -0.024 0.000 1.141 543 T CA 1.954 64.040 62.100 -0.024 0.000 1.176 543 T CB -0.196 68.670 68.868 -0.004 0.000 0.863 543 T HN 0.503 nan 8.240 nan 0.000 0.424 544 N N 0.566 119.261 118.700 -0.009 0.000 2.457 544 N HA -0.012 4.742 4.740 0.023 0.000 0.180 544 N C 1.957 177.454 175.510 -0.020 0.000 1.050 544 N CA 0.435 53.479 53.050 -0.010 0.000 0.906 544 N CB -0.190 38.300 38.487 0.006 0.000 0.968 544 N HN 0.523 nan 8.380 nan 0.000 0.445 545 Q N 0.540 120.342 119.800 0.004 0.000 2.230 545 Q HA 0.039 4.393 4.340 0.023 0.000 0.202 545 Q C 1.867 177.937 176.000 0.117 0.000 0.963 545 Q CA 0.827 56.664 55.803 0.058 0.000 0.866 545 Q CB 0.101 28.902 28.738 0.105 0.000 0.931 545 Q HN 0.314 nan 8.270 nan 0.000 0.452 546 A N 1.278 124.108 122.820 0.018 0.000 1.877 546 A HA -0.222 4.112 4.320 0.023 0.000 0.216 546 A C 1.887 179.381 177.584 -0.150 0.000 1.186 546 A CA 1.613 53.631 52.037 -0.032 0.000 0.620 546 A CB -0.357 18.570 19.000 -0.122 0.000 0.822 546 A HN 0.276 nan 8.150 nan 0.000 0.443 547 K N -0.359 119.863 120.400 -0.296 0.000 2.103 547 K HA -0.170 4.164 4.320 0.023 0.000 0.207 547 K C 1.368 177.753 176.600 -0.359 0.000 1.048 547 K CA 1.428 57.362 56.287 -0.588 0.000 0.930 547 K CB -0.304 31.933 32.500 -0.439 0.000 0.716 547 K HN 0.420 nan 8.250 nan 0.000 0.444 548 D N -0.011 120.277 120.400 -0.186 0.000 2.218 548 D HA -0.142 4.512 4.640 0.023 0.000 0.204 548 D C 1.217 177.367 176.300 -0.250 0.000 0.976 548 D CA 1.241 55.122 54.000 -0.199 0.000 0.853 548 D CB -0.094 40.562 40.800 -0.241 0.000 0.939 548 D HN 0.290 nan 8.370 nan 0.000 0.481 549 Y N -0.276 119.959 120.300 -0.109 0.000 2.461 549 Y HA 0.277 4.841 4.550 0.023 0.000 0.277 549 Y C 1.721 177.589 175.900 -0.053 0.000 1.182 549 Y CA 0.262 58.327 58.100 -0.058 0.000 1.276 549 Y CB 0.449 38.873 38.460 -0.060 0.000 1.087 549 Y HN 0.000 nan 8.280 nan 0.000 0.519 550 G N 0.676 109.459 108.800 -0.029 0.000 2.147 550 G HA2 -0.238 3.736 3.960 0.023 0.000 0.244 550 G HA3 -0.238 3.736 3.960 0.023 0.000 0.244 550 G C -0.246 174.629 174.900 -0.041 0.000 1.005 550 G CA -0.050 45.047 45.100 -0.005 0.000 0.713 550 G HN 0.154 nan 8.290 nan 0.000 0.515 551 I N 1.033 121.492 120.570 -0.185 0.000 2.371 551 I HA 0.379 4.562 4.170 0.023 0.000 0.282 551 I C -0.205 175.732 176.117 -0.300 0.000 1.031 551 I CA -1.487 59.754 61.300 -0.100 0.000 1.180 551 I CB 0.237 38.214 38.000 -0.038 0.000 1.336 551 I HN 0.088 nan 8.210 nan 0.000 0.467 552 Y N 6.131 126.338 120.300 -0.154 0.000 2.320 552 Y HA 0.523 5.086 4.550 0.022 0.000 0.334 552 Y C 0.570 176.355 175.900 -0.191 0.000 1.055 552 Y CA -0.563 57.309 58.100 -0.381 0.000 1.143 552 Y CB 1.654 39.778 38.460 -0.559 0.000 1.193 552 Y HN 0.322 nan 8.280 nan 0.000 0.477 553 I N 4.646 125.202 120.570 -0.023 0.000 2.437 553 I HA 0.250 4.433 4.170 0.023 0.000 0.279 553 I C -0.839 175.448 176.117 0.283 0.000 1.028 553 I CA -0.804 60.564 61.300 0.114 0.000 1.142 553 I CB 1.015 39.033 38.000 0.029 0.000 1.266 553 I HN 0.305 nan 8.210 nan 0.000 0.461 554 V N 4.355 124.447 119.914 0.297 0.000 2.686 554 V HA 0.057 4.190 4.120 0.023 0.000 0.295 554 V C 0.316 176.476 176.094 0.111 0.000 1.055 554 V CA -0.118 62.328 62.300 0.245 0.000 1.050 554 V CB 1.405 33.330 31.823 0.169 0.000 0.984 554 V HN 0.623 nan 8.190 nan 0.000 0.482 555 D N 4.153 124.601 120.400 0.080 0.000 2.380 555 D HA 0.214 4.868 4.640 0.023 0.000 0.230 555 D C 0.674 176.966 176.300 -0.013 0.000 1.154 555 D CA -0.207 53.813 54.000 0.032 0.000 0.859 555 D CB 0.613 41.460 40.800 0.078 0.000 1.045 555 D HN 0.373 nan 8.370 nan 0.000 0.495 556 R N 3.173 123.624 120.500 -0.082 0.000 2.472 556 R HA 0.158 4.511 4.340 0.023 0.000 0.279 556 R C 1.381 177.573 176.300 -0.179 0.000 0.953 556 R CA -0.059 56.005 56.100 -0.061 0.000 1.088 556 R CB 0.730 31.028 30.300 -0.003 0.000 1.197 556 R HN 0.404 nan 8.270 nan 0.000 0.536 557 R N -0.772 119.496 120.500 -0.387 0.000 2.225 557 R HA 0.150 4.503 4.340 0.023 0.000 0.194 557 R C 0.171 176.019 176.300 -0.753 0.000 0.949 557 R CA 0.639 56.291 56.100 -0.746 0.000 1.088 557 R CB 0.514 30.057 30.300 -1.261 0.000 1.106 557 R HN -0.034 nan 8.270 nan 0.000 0.566 558 F N 0.524 120.444 119.950 -0.050 0.000 2.735 558 F HA 0.465 5.006 4.527 0.023 0.000 0.308 558 F C -0.265 175.527 175.800 -0.013 0.000 1.112 558 F CA -0.383 57.597 58.000 -0.032 0.000 1.235 558 F CB 0.662 39.635 39.000 -0.046 0.000 1.027 558 F HN -0.336 nan 8.300 nan 0.000 0.528 559 K N 0.623 121.075 120.400 0.086 0.000 2.340 559 K HA 0.803 5.137 4.320 0.023 0.000 0.244 559 K C -0.239 176.388 176.600 0.045 0.000 0.973 559 K CA -1.015 55.312 56.287 0.066 0.000 0.828 559 K CB 2.438 34.966 32.500 0.046 0.000 1.226 559 K HN 0.012 nan 8.250 nan 0.000 0.437 560 A N 2.273 125.116 122.820 0.038 0.000 2.407 560 A HA 0.224 4.557 4.320 0.023 0.000 0.248 560 A C -1.825 175.773 177.584 0.024 0.000 1.082 560 A CA -1.063 50.993 52.037 0.031 0.000 0.785 560 A CB -0.125 18.889 19.000 0.023 0.000 1.020 560 A HN 0.450 nan 8.150 nan 0.000 0.489 561 P HA -0.205 nan 4.420 nan 0.000 0.216 561 P C 0.817 178.120 177.300 0.006 0.000 1.157 561 P CA 1.947 65.058 63.100 0.018 0.000 0.880 561 P CB 0.158 31.864 31.700 0.010 0.000 0.791 562 D N -1.050 119.351 120.400 0.001 0.000 2.219 562 D HA -0.144 4.509 4.640 0.023 0.000 0.205 562 D C 1.743 178.036 176.300 -0.012 0.000 0.970 562 D CA 0.904 54.900 54.000 -0.008 0.000 0.851 562 D CB -0.173 40.622 40.800 -0.009 0.000 0.943 562 D HN 0.247 nan 8.370 nan 0.000 0.488 563 E N -0.562 119.634 120.200 -0.006 0.000 2.158 563 E HA -0.062 4.301 4.350 0.023 0.000 0.191 563 E C 2.096 178.683 176.600 -0.023 0.000 0.982 563 E CA 0.566 56.958 56.400 -0.013 0.000 0.823 563 E CB 0.086 29.786 29.700 -0.000 0.000 0.766 563 E HN 0.114 nan 8.360 nan 0.000 0.468 564 S N 0.712 116.407 115.700 -0.009 0.000 2.356 564 S HA -0.141 4.343 4.470 0.023 0.000 0.223 564 S C 2.237 176.823 174.600 -0.024 0.000 1.032 564 S CA 0.938 59.133 58.200 -0.009 0.000 1.005 564 S CB -0.186 63.025 63.200 0.019 0.000 0.867 564 S HN 0.061 nan 8.310 nan 0.000 0.449 565 V N 2.114 122.018 119.914 -0.017 0.000 2.332 565 V HA -0.151 3.982 4.120 0.023 0.000 0.248 565 V C 2.574 178.642 176.094 -0.042 0.000 1.055 565 V CA 1.598 63.885 62.300 -0.021 0.000 1.038 565 V CB -0.562 31.250 31.823 -0.019 0.000 0.651 565 V HN 0.388 nan 8.190 nan 0.000 0.450 566 E N -0.281 119.890 120.200 -0.049 0.000 2.110 566 E HA -0.263 4.101 4.350 0.023 0.000 0.193 566 E C 2.209 178.742 176.600 -0.111 0.000 0.988 566 E CA 1.415 57.779 56.400 -0.060 0.000 0.804 566 E CB -0.245 29.428 29.700 -0.045 0.000 0.745 566 E HN 0.721 nan 8.360 nan 0.000 0.458 567 Q N 0.384 120.090 119.800 -0.156 0.000 2.167 567 Q HA -0.090 4.264 4.340 0.023 0.000 0.202 567 Q C 2.355 178.079 176.000 -0.460 0.000 0.970 567 Q CA 0.580 56.184 55.803 -0.332 0.000 0.855 567 Q CB -0.022 28.532 28.738 -0.307 0.000 0.911 567 Q HN 0.256 nan 8.270 nan 0.000 0.438 568 L N 0.077 121.174 121.223 -0.211 0.000 2.017 568 L HA -0.190 4.163 4.340 0.023 0.000 0.208 568 L C 2.267 179.108 176.870 -0.049 0.000 1.073 568 L CA 1.201 55.991 54.840 -0.084 0.000 0.745 568 L CB -0.293 41.768 42.059 0.004 0.000 0.894 568 L HN 0.184 nan 8.230 nan 0.000 0.432 569 V N -0.054 119.832 119.914 -0.047 0.000 2.332 569 V HA -0.319 3.815 4.120 0.023 0.000 0.248 569 V C 2.188 178.280 176.094 -0.003 0.000 1.055 569 V CA 2.003 64.299 62.300 -0.007 0.000 1.038 569 V CB -0.719 31.099 31.823 -0.009 0.000 0.651 569 V HN 0.476 nan 8.190 nan 0.000 0.450 570 D N -0.730 119.629 120.400 -0.069 0.000 2.116 570 D HA -0.199 4.454 4.640 0.023 0.000 0.193 570 D C 2.087 178.435 176.300 0.081 0.000 0.998 570 D CA 1.825 55.802 54.000 -0.039 0.000 0.836 570 D CB -0.399 40.321 40.800 -0.134 0.000 0.951 570 D HN 0.601 nan 8.370 nan 0.000 0.449 571 Y N 0.328 120.636 120.300 0.012 0.000 2.114 571 Y HA -0.187 4.377 4.550 0.022 0.000 0.284 571 Y C 2.797 178.599 175.900 -0.163 0.000 1.143 571 Y CA 0.416 58.471 58.100 -0.076 0.000 1.135 571 Y CB -0.247 38.133 38.460 -0.133 0.000 0.980 571 Y HN -0.098 nan 8.280 nan 0.000 0.499 572 M N -0.008 119.634 119.600 0.070 0.000 2.106 572 M HA -0.309 4.185 4.480 0.023 0.000 0.259 572 M C 2.196 178.625 176.300 0.214 0.000 1.068 572 M CA 1.813 57.182 55.300 0.115 0.000 1.100 572 M CB -0.371 32.362 32.600 0.221 0.000 1.351 572 M HN 0.305 nan 8.290 nan 0.000 0.404 573 E N 0.115 120.404 120.200 0.148 0.000 2.152 573 E HA -0.229 4.134 4.350 0.023 0.000 0.192 573 E C 1.839 178.512 176.600 0.121 0.000 0.983 573 E CA 1.063 57.535 56.400 0.120 0.000 0.818 573 E CB 0.050 29.794 29.700 0.072 0.000 0.758 573 E HN 0.539 nan 8.360 nan 0.000 0.467 574 E N -0.261 120.027 120.200 0.147 0.000 2.077 574 E HA -0.214 4.149 4.350 0.023 0.000 0.193 574 E C 1.863 178.559 176.600 0.159 0.000 0.989 574 E CA 1.038 57.535 56.400 0.161 0.000 0.800 574 E CB -0.248 29.601 29.700 0.248 0.000 0.746 574 E HN 0.282 nan 8.360 nan 0.000 0.452 575 F N 0.625 120.586 119.950 0.019 0.000 2.146 575 F HA -0.142 4.399 4.527 0.023 0.000 0.298 575 F C 1.976 177.814 175.800 0.064 0.000 1.096 575 F CA 1.154 59.167 58.000 0.022 0.000 1.275 575 F CB -0.163 38.770 39.000 -0.111 0.000 1.008 575 F HN -0.103 nan 8.300 nan 0.000 0.480 576 V N 0.468 120.471 119.914 0.148 0.000 2.490 576 V HA -0.286 3.848 4.120 0.023 0.000 0.250 576 V C 2.128 178.165 176.094 -0.094 0.000 1.061 576 V CA 1.980 64.302 62.300 0.036 0.000 1.064 576 V CB -0.705 31.180 31.823 0.102 0.000 0.670 576 V HN 0.267 nan 8.190 nan 0.000 0.461 577 K N -0.095 120.268 120.400 -0.061 0.000 2.439 577 K HA -0.020 4.314 4.320 0.023 0.000 0.197 577 K C 0.757 177.294 176.600 -0.105 0.000 1.041 577 K CA 0.313 56.561 56.287 -0.065 0.000 0.970 577 K CB -0.007 32.479 32.500 -0.022 0.000 0.773 577 K HN 0.449 nan 8.250 nan 0.000 0.479 578 K N 1.514 121.804 120.400 -0.185 0.000 2.355 578 K HA -0.005 4.329 4.320 0.023 0.000 0.270 578 K C 0.520 177.014 176.600 -0.178 0.000 1.003 578 K CA 0.033 56.202 56.287 -0.197 0.000 0.957 578 K CB 0.744 33.054 32.500 -0.317 0.000 0.939 578 K HN 0.094 nan 8.250 nan 0.000 0.482 579 T N -1.378 113.104 114.554 -0.120 0.000 2.847 579 T HA 0.139 4.503 4.350 0.023 0.000 0.279 579 T C 1.249 175.894 174.700 -0.092 0.000 0.984 579 T CA -0.640 61.404 62.100 -0.094 0.000 0.988 579 T CB 1.319 70.151 68.868 -0.060 0.000 1.040 579 T HN 0.697 nan 8.240 nan 0.000 0.528 580 R N 0.291 120.754 120.500 -0.062 0.000 2.083 580 R HA -0.096 4.257 4.340 0.023 0.000 0.237 580 R C 2.613 178.903 176.300 -0.017 0.000 1.137 580 R CA 1.426 57.507 56.100 -0.031 0.000 0.951 580 R CB -0.247 30.049 30.300 -0.006 0.000 0.851 580 R HN 0.710 nan 8.270 nan 0.000 0.434 581 R N 0.059 120.548 120.500 -0.019 0.000 2.105 581 R HA -0.168 4.186 4.340 0.023 0.000 0.239 581 R C 2.499 178.793 176.300 -0.011 0.000 1.135 581 R CA 2.172 58.266 56.100 -0.010 0.000 0.967 581 R CB -0.158 30.135 30.300 -0.012 0.000 0.861 581 R HN 0.482 nan 8.270 nan 0.000 0.442 582 Q N -0.362 119.421 119.800 -0.028 0.000 2.079 582 Q HA -0.105 4.248 4.340 0.023 0.000 0.200 582 Q C 2.154 178.144 176.000 -0.017 0.000 0.974 582 Q CA 1.129 56.914 55.803 -0.029 0.000 0.840 582 Q CB -0.027 28.680 28.738 -0.051 0.000 0.898 582 Q HN 0.275 nan 8.270 nan 0.000 0.430 583 R N 0.393 120.868 120.500 -0.041 0.000 2.073 583 R HA -0.120 4.233 4.340 0.023 0.000 0.234 583 R C 2.286 178.624 176.300 0.064 0.000 1.134 583 R CA 1.294 57.399 56.100 0.008 0.000 0.952 583 R CB -0.367 29.927 30.300 -0.009 0.000 0.850 583 R HN 0.284 nan 8.270 nan 0.000 0.433 584 I N 1.223 121.815 120.570 0.036 0.000 2.163 584 I HA -0.312 3.871 4.170 0.023 0.000 0.243 584 I C 1.849 178.007 176.117 0.069 0.000 1.085 584 I CA 1.206 62.526 61.300 0.032 0.000 1.347 584 I CB -0.421 37.588 38.000 0.016 0.000 1.044 584 I HN 0.168 nan 8.210 nan 0.000 0.408 585 N N 0.518 119.254 118.700 0.059 0.000 2.120 585 N HA -0.236 4.518 4.740 0.023 0.000 0.188 585 N C 1.795 177.355 175.510 0.083 0.000 1.024 585 N CA 1.162 54.254 53.050 0.069 0.000 0.852 585 N CB -0.405 38.099 38.487 0.029 0.000 1.003 585 N HN 0.446 nan 8.380 nan 0.000 0.424 586 Q N 0.882 120.729 119.800 0.078 0.000 2.061 586 Q HA -0.080 4.274 4.340 0.023 0.000 0.204 586 Q C 1.922 178.019 176.000 0.161 0.000 0.984 586 Q CA 1.240 57.102 55.803 0.098 0.000 0.846 586 Q CB 0.091 28.913 28.738 0.140 0.000 0.902 586 Q HN 0.303 nan 8.270 nan 0.000 0.421 587 R N 0.043 120.659 120.500 0.193 0.000 2.105 587 R HA -0.109 4.245 4.340 0.023 0.000 0.239 587 R C 1.982 178.514 176.300 0.386 0.000 1.135 587 R CA 1.335 57.594 56.100 0.264 0.000 0.967 587 R CB -0.305 30.125 30.300 0.216 0.000 0.861 587 R HN 0.370 nan 8.270 nan 0.000 0.442 588 N N 0.740 119.676 118.700 0.393 0.000 2.223 588 N HA -0.136 4.617 4.740 0.023 0.000 0.185 588 N C 1.604 177.355 175.510 0.402 0.000 1.016 588 N CA 1.434 54.806 53.050 0.537 0.000 0.863 588 N CB -0.230 38.541 38.487 0.473 0.000 0.983 588 N HN 0.235 nan 8.380 nan 0.000 0.429 589 A N 0.328 123.293 122.820 0.242 0.000 1.854 589 A HA -0.130 4.203 4.320 0.023 0.000 0.214 589 A C 2.416 180.170 177.584 0.284 0.000 1.192 589 A CA 2.239 54.393 52.037 0.196 0.000 0.611 589 A CB -1.268 17.719 19.000 -0.022 0.000 0.832 589 A HN 0.440 nan 8.150 nan 0.000 0.442 590 T N -1.247 113.445 114.554 0.230 0.000 2.833 590 T HA -0.187 4.176 4.350 0.023 0.000 0.269 590 T C 1.734 176.505 174.700 0.117 0.000 1.054 590 T CA 1.999 64.216 62.100 0.195 0.000 1.135 590 T CB -0.276 68.691 68.868 0.166 0.000 0.869 590 T HN 0.511 nan 8.240 nan 0.000 0.466 591 E N 1.349 121.584 120.200 0.058 0.000 2.077 591 E HA 0.051 4.415 4.350 0.023 0.000 0.193 591 E C 2.326 178.949 176.600 0.037 0.000 0.989 591 E CA 1.385 57.698 56.400 -0.144 0.000 0.800 591 E CB -0.884 28.404 29.700 -0.686 0.000 0.746 591 E HN 0.640 nan 8.360 nan 0.000 0.452 592 A N 0.287 123.228 122.820 0.202 0.000 1.972 592 A HA -0.126 4.208 4.320 0.023 0.000 0.219 592 A C 2.098 179.748 177.584 0.110 0.000 1.169 592 A CA 1.255 53.408 52.037 0.194 0.000 0.635 592 A CB -0.630 18.488 19.000 0.197 0.000 0.810 592 A HN 0.383 nan 8.150 nan 0.000 0.446 593 L N 0.776 122.063 121.223 0.106 0.000 2.362 593 L HA -0.109 4.245 4.340 0.023 0.000 0.219 593 L C 2.740 179.630 176.870 0.033 0.000 1.134 593 L CA 1.998 56.857 54.840 0.031 0.000 0.807 593 L CB -0.522 41.557 42.059 0.034 0.000 0.927 593 L HN 0.564 nan 8.230 nan 0.000 0.447 594 S N -1.977 113.746 115.700 0.039 0.000 2.419 594 S HA -0.207 4.276 4.470 0.023 0.000 0.233 594 S C 1.774 176.384 174.600 0.017 0.000 1.016 594 S CA 1.175 59.390 58.200 0.025 0.000 0.974 594 S CB -0.539 62.652 63.200 -0.015 0.000 0.786 594 S HN 0.439 nan 8.310 nan 0.000 0.492 595 D N 2.022 122.434 120.400 0.019 0.000 2.133 595 D HA -0.055 4.599 4.640 0.023 0.000 0.195 595 D C 1.822 178.129 176.300 0.011 0.000 0.997 595 D CA 1.147 55.155 54.000 0.013 0.000 0.840 595 D CB -0.446 40.364 40.800 0.018 0.000 0.947 595 D HN 0.440 nan 8.370 nan 0.000 0.452 596 L N -0.170 121.065 121.223 0.020 0.000 2.265 596 L HA -0.100 4.254 4.340 0.023 0.000 0.215 596 L C 1.875 178.786 176.870 0.068 0.000 1.117 596 L CA 0.493 55.360 54.840 0.044 0.000 0.782 596 L CB -0.196 41.883 42.059 0.033 0.000 0.914 596 L HN 0.070 nan 8.230 nan 0.000 0.441 597 L N -1.101 120.145 121.223 0.038 0.000 2.607 597 L HA 0.122 4.476 4.340 0.023 0.000 0.228 597 L C 0.394 177.169 176.870 -0.158 0.000 1.123 597 L CA -0.244 54.591 54.840 -0.008 0.000 0.890 597 L CB -0.009 42.101 42.059 0.086 0.000 1.103 597 L HN 0.115 nan 8.230 nan 0.000 0.468 598 D N -1.518 118.814 120.400 -0.114 0.000 2.283 598 D HA 0.014 4.668 4.640 0.023 0.000 0.248 598 D C 0.676 176.892 176.300 -0.141 0.000 1.072 598 D CA -0.188 53.735 54.000 -0.127 0.000 0.929 598 D CB 0.879 41.661 40.800 -0.030 0.000 1.182 598 D HN -0.005 nan 8.370 nan 0.000 0.433 599 W N 1.245 122.508 121.300 -0.062 0.000 2.392 599 W HA -0.062 4.611 4.660 0.022 0.000 0.279 599 W C 1.974 178.450 176.519 -0.071 0.000 1.225 599 W CA 0.114 57.403 57.345 -0.093 0.000 1.233 599 W CB 0.089 29.469 29.460 -0.134 0.000 1.122 599 W HN 0.436 nan 8.180 nan 0.000 0.561 600 K N -0.065 120.434 120.400 0.166 0.000 2.360 600 K HA -0.193 4.141 4.320 0.023 0.000 0.201 600 K C 1.932 178.581 176.600 0.081 0.000 1.046 600 K CA 1.258 57.601 56.287 0.093 0.000 0.940 600 K CB -0.111 32.419 32.500 0.050 0.000 0.748 600 K HN 0.133 nan 8.250 nan 0.000 0.465 601 R N -0.798 119.750 120.500 0.079 0.000 2.310 601 R HA 0.150 4.504 4.340 0.023 0.000 0.199 601 R C 1.750 178.104 176.300 0.090 0.000 0.891 601 R CA 0.106 56.247 56.100 0.068 0.000 1.060 601 R CB 0.342 30.668 30.300 0.044 0.000 1.188 601 R HN -0.001 nan 8.270 nan 0.000 0.607 602 M N -0.039 119.606 119.600 0.075 0.000 2.288 602 M HA 0.139 4.633 4.480 0.023 0.000 0.266 602 M C 2.048 178.538 176.300 0.316 0.000 1.072 602 M CA 1.355 56.695 55.300 0.068 0.000 1.132 602 M CB -0.606 31.820 32.600 -0.291 0.000 1.386 602 M HN 0.333 nan 8.290 nan 0.000 0.432 603 G N 0.645 109.697 108.800 0.418 0.000 2.498 603 G HA2 -0.114 3.860 3.960 0.023 0.000 0.219 603 G HA3 -0.114 3.860 3.960 0.023 0.000 0.219 603 G C 1.634 176.686 174.900 0.254 0.000 1.119 603 G CA 0.299 45.589 45.100 0.316 0.000 0.766 603 G HN 0.373 nan 8.290 nan 0.000 0.552 604 L N 0.082 121.425 121.223 0.201 0.000 2.201 604 L HA -0.004 4.350 4.340 0.023 0.000 0.212 604 L C 2.639 179.612 176.870 0.171 0.000 1.105 604 L CA 0.677 55.610 54.840 0.156 0.000 0.775 604 L CB -0.224 41.900 42.059 0.109 0.000 0.913 604 L HN 0.148 nan 8.230 nan 0.000 0.440 605 E N -0.412 119.909 120.200 0.202 0.000 2.152 605 E HA -0.169 4.195 4.350 0.023 0.000 0.192 605 E C 2.050 178.747 176.600 0.161 0.000 0.983 605 E CA 1.103 57.594 56.400 0.152 0.000 0.818 605 E CB -0.274 29.496 29.700 0.116 0.000 0.758 605 E HN 0.503 nan 8.360 nan 0.000 0.467 606 Y N 0.723 121.097 120.300 0.125 0.000 2.181 606 Y HA -0.208 4.356 4.550 0.022 0.000 0.288 606 Y C 2.477 178.462 175.900 0.141 0.000 1.146 606 Y CA 0.918 59.104 58.100 0.143 0.000 1.164 606 Y CB -0.146 38.389 38.460 0.124 0.000 0.982 606 Y HN -0.142 nan 8.280 nan 0.000 0.515 607 V N 0.199 120.281 119.914 0.281 0.000 2.261 607 V HA -0.321 3.813 4.120 0.023 0.000 0.246 607 V C 2.053 178.243 176.094 0.159 0.000 1.047 607 V CA 1.945 64.376 62.300 0.218 0.000 1.015 607 V CB -0.528 31.397 31.823 0.170 0.000 0.642 607 V HN 0.352 nan 8.190 nan 0.000 0.446 608 K N 0.155 120.629 120.400 0.124 0.000 2.218 608 K HA -0.200 4.133 4.320 0.023 0.000 0.205 608 K C 2.161 178.791 176.600 0.049 0.000 1.046 608 K CA 1.523 57.859 56.287 0.082 0.000 0.933 608 K CB -0.340 32.197 32.500 0.062 0.000 0.728 608 K HN 0.527 nan 8.250 nan 0.000 0.454 609 A N 1.182 124.024 122.820 0.037 0.000 1.898 609 A HA -0.067 4.267 4.320 0.023 0.000 0.214 609 A C 1.970 179.554 177.584 0.000 0.000 1.183 609 A CA 0.783 52.808 52.037 -0.021 0.000 0.622 609 A CB -0.190 18.753 19.000 -0.094 0.000 0.824 609 A HN 0.152 nan 8.150 nan 0.000 0.444 610 R N -0.596 119.947 120.500 0.071 0.000 2.189 610 R HA -0.053 4.300 4.340 0.023 0.000 0.223 610 R C 1.931 178.263 176.300 0.053 0.000 1.092 610 R CA 1.366 57.517 56.100 0.085 0.000 0.989 610 R CB -0.108 30.314 30.300 0.202 0.000 0.876 610 R HN 0.631 nan 8.270 nan 0.000 0.457 611 Q N -0.409 119.438 119.800 0.079 0.000 2.384 611 Q HA 0.034 4.388 4.340 0.023 0.000 0.207 611 Q C 1.538 177.525 176.000 -0.023 0.000 0.904 611 Q CA 0.026 55.892 55.803 0.105 0.000 0.933 611 Q CB 0.391 29.261 28.738 0.219 0.000 1.077 611 Q HN 0.135 nan 8.270 nan 0.000 0.522 612 L N 0.321 121.516 121.223 -0.046 0.000 2.217 612 L HA 0.053 4.407 4.340 0.023 0.000 0.211 612 L C 1.968 178.759 176.870 -0.132 0.000 1.107 612 L CA 1.559 56.330 54.840 -0.115 0.000 0.783 612 L CB -0.461 41.555 42.059 -0.071 0.000 0.919 612 L HN 0.078 nan 8.230 nan 0.000 0.442 613 A N -0.352 122.421 122.820 -0.079 0.000 1.873 613 A HA -0.110 4.223 4.320 0.023 0.000 0.215 613 A C 2.220 179.765 177.584 -0.064 0.000 1.186 613 A CA 1.883 53.882 52.037 -0.064 0.000 0.616 613 A CB -0.771 18.211 19.000 -0.030 0.000 0.823 613 A HN 0.472 nan 8.150 nan 0.000 0.442 614 L N -1.087 120.120 121.223 -0.027 0.000 2.109 614 L HA -0.104 4.249 4.340 0.023 0.000 0.207 614 L C 2.672 179.508 176.870 -0.057 0.000 1.086 614 L CA 1.418 56.310 54.840 0.087 0.000 0.760 614 L CB -0.388 41.795 42.059 0.207 0.000 0.910 614 L HN 0.402 nan 8.230 nan 0.000 0.437 615 R N 0.680 120.873 120.500 -0.512 0.000 2.193 615 R HA -0.133 4.221 4.340 0.023 0.000 0.229 615 R C 2.131 178.197 176.300 -0.390 0.000 1.110 615 R CA 1.456 56.957 56.100 -0.999 0.000 0.988 615 R CB -0.215 29.282 30.300 -1.339 0.000 0.871 615 R HN 0.242 nan 8.270 nan 0.000 0.458 616 R N -1.364 118.987 120.500 -0.248 0.000 2.105 616 R HA 0.186 4.539 4.340 0.023 0.000 0.214 616 R C 2.228 178.425 176.300 -0.172 0.000 1.091 616 R CA 0.892 56.891 56.100 -0.168 0.000 1.007 616 R CB -0.350 29.869 30.300 -0.135 0.000 0.912 616 R HN 0.402 nan 8.270 nan 0.000 0.450 617 G N 0.453 109.124 108.800 -0.214 0.000 2.453 617 G HA2 -0.216 3.758 3.960 0.023 0.000 0.215 617 G HA3 -0.216 3.758 3.960 0.023 0.000 0.215 617 G C 0.175 174.731 174.900 -0.573 0.000 1.201 617 G CA 0.681 45.502 45.100 -0.466 0.000 0.784 617 G HN 0.274 nan 8.290 nan 0.000 0.545 618 Y N 0.767 121.084 120.300 0.028 0.000 2.747 618 Y HA 0.378 4.942 4.550 0.022 0.000 0.362 618 Y C -1.759 174.198 175.900 0.095 0.000 1.026 618 Y CA -2.262 55.877 58.100 0.065 0.000 1.135 618 Y CB 1.722 40.239 38.460 0.095 0.000 1.175 618 Y HN 0.104 nan 8.280 nan 0.000 0.643 619 P HA -0.128 nan 4.420 nan 0.000 0.217 619 P C 0.837 178.241 177.300 0.174 0.000 1.150 619 P CA 1.561 64.730 63.100 0.114 0.000 0.832 619 P CB 0.554 32.276 31.700 0.038 0.000 0.787 620 D N -0.308 120.183 120.400 0.153 0.000 2.084 620 D HA -0.153 4.500 4.640 0.023 0.000 0.196 620 D C 2.088 178.475 176.300 0.145 0.000 0.985 620 D CA 1.173 55.250 54.000 0.129 0.000 0.826 620 D CB -0.754 40.108 40.800 0.103 0.000 0.978 620 D HN 0.304 nan 8.370 nan 0.000 0.456 621 Q N -0.542 119.362 119.800 0.172 0.000 2.170 621 Q HA -0.138 4.215 4.340 0.023 0.000 0.203 621 Q C 2.089 178.176 176.000 0.146 0.000 0.976 621 Q CA 0.728 56.611 55.803 0.132 0.000 0.858 621 Q CB -0.192 28.613 28.738 0.111 0.000 0.907 621 Q HN 0.266 nan 8.270 nan 0.000 0.433 622 F N 1.418 121.416 119.950 0.080 0.000 2.128 622 F HA -0.095 4.445 4.527 0.023 0.000 0.295 622 F C 2.549 178.378 175.800 0.048 0.000 1.100 622 F CA 1.217 59.258 58.000 0.067 0.000 1.260 622 F CB 0.024 39.071 39.000 0.079 0.000 1.009 622 F HN -0.152 nan 8.300 nan 0.000 0.476 623 R N 0.307 120.971 120.500 0.274 0.000 2.159 623 R HA -0.202 4.152 4.340 0.023 0.000 0.237 623 R C 2.203 178.538 176.300 0.058 0.000 1.131 623 R CA 1.856 58.053 56.100 0.162 0.000 0.982 623 R CB -0.352 30.030 30.300 0.136 0.000 0.868 623 R HN 0.508 nan 8.270 nan 0.000 0.453 624 E N -0.094 120.130 120.200 0.039 0.000 2.045 624 E HA -0.093 4.270 4.350 0.023 0.000 0.190 624 E C 1.047 177.622 176.600 -0.042 0.000 0.968 624 E CA 0.261 56.664 56.400 0.005 0.000 0.813 624 E CB 0.098 29.809 29.700 0.018 0.000 0.780 624 E HN 0.205 nan 8.360 nan 0.000 0.455 625 L N 1.191 122.371 121.223 -0.072 0.000 2.834 625 L HA -0.041 4.312 4.340 0.023 0.000 0.252 625 L C 1.040 177.788 176.870 -0.204 0.000 1.152 625 L CA 0.630 55.397 54.840 -0.122 0.000 0.898 625 L CB -0.155 41.831 42.059 -0.123 0.000 1.078 625 L HN 0.113 nan 8.230 nan 0.000 0.439 626 V N -2.177 117.628 119.914 -0.181 0.000 4.491 626 V HA 0.623 4.757 4.120 0.023 0.000 0.164 626 V C 1.467 177.515 176.094 -0.078 0.000 1.146 626 V CA 0.585 62.779 62.300 -0.177 0.000 1.322 626 V CB 0.616 32.294 31.823 -0.242 0.000 1.741 626 V HN 0.211 nan 8.190 nan 0.000 0.542 627 G N -0.071 108.705 108.800 -0.040 0.000 4.142 627 G HA2 0.233 4.206 3.960 0.023 0.000 0.200 627 G HA3 0.233 4.206 3.960 0.023 0.000 0.200 627 G C -0.043 174.863 174.900 0.010 0.000 0.811 627 G CA 0.755 45.848 45.100 -0.012 0.000 0.855 627 G HN 0.630 nan 8.290 nan 0.000 0.455 628 E N 0.861 121.078 120.200 0.028 0.000 2.331 628 E HA 0.209 4.573 4.350 0.023 0.000 0.263 628 E C -1.698 174.953 176.600 0.085 0.000 1.224 628 E CA -0.486 55.943 56.400 0.048 0.000 0.898 628 E CB -0.278 29.445 29.700 0.038 0.000 1.591 628 E HN 0.308 nan 8.360 nan 0.000 0.463 629 E N 1.783 122.034 120.200 0.085 0.000 2.146 629 E HA 0.562 4.926 4.350 0.023 0.000 0.282 629 E C -0.227 176.429 176.600 0.094 0.000 0.989 629 E CA -0.723 55.743 56.400 0.110 0.000 0.799 629 E CB 1.006 30.756 29.700 0.084 0.000 1.088 629 E HN 0.322 nan 8.360 nan 0.000 0.397 630 L N 2.735 124.033 121.223 0.126 0.000 2.307 630 L HA 0.289 4.643 4.340 0.023 0.000 0.282 630 L C 0.518 177.417 176.870 0.048 0.000 1.051 630 L CA -1.197 53.698 54.840 0.092 0.000 0.804 630 L CB 0.694 42.833 42.059 0.133 0.000 1.197 630 L HN 0.597 nan 8.230 nan 0.000 0.431 631 N N 2.265 120.982 118.700 0.029 0.000 2.232 631 N HA -0.145 4.608 4.740 0.023 0.000 0.251 631 N C -0.093 175.408 175.510 -0.015 0.000 1.242 631 N CA 0.523 53.578 53.050 0.007 0.000 0.837 631 N CB 0.462 38.955 38.487 0.009 0.000 1.079 631 N HN 0.730 nan 8.380 nan 0.000 0.461 632 D N -0.586 119.794 120.400 -0.033 0.000 2.673 632 D HA 0.052 4.706 4.640 0.023 0.000 0.278 632 D C 0.183 176.455 176.300 -0.047 0.000 1.393 632 D CA -0.167 53.796 54.000 -0.062 0.000 0.805 632 D CB -0.853 39.882 40.800 -0.107 0.000 1.110 632 D HN 0.356 nan 8.370 nan 0.000 0.476 633 S N -0.944 114.740 115.700 -0.027 0.000 2.528 633 S HA 0.155 4.638 4.470 0.023 0.000 0.219 633 S C 0.574 175.166 174.600 -0.015 0.000 0.985 633 S CA -0.131 58.059 58.200 -0.018 0.000 0.914 633 S CB -0.008 63.188 63.200 -0.008 0.000 0.776 633 S HN 0.080 nan 8.310 nan 0.000 0.526 634 N N -0.012 118.677 118.700 -0.017 0.000 2.571 634 N HA 0.489 5.242 4.740 0.023 0.000 0.273 634 N C 0.303 175.800 175.510 -0.021 0.000 1.340 634 N CA -0.698 52.343 53.050 -0.016 0.000 0.789 634 N CB 1.128 39.611 38.487 -0.006 0.000 1.514 634 N HN 0.004 nan 8.380 nan 0.000 0.499 635 M N -0.295 119.292 119.600 -0.022 0.000 2.419 635 M HA 0.024 4.518 4.480 0.023 0.000 0.264 635 M C 0.051 176.352 176.300 0.002 0.000 1.082 635 M CA 1.142 56.432 55.300 -0.016 0.000 1.119 635 M CB -0.027 32.559 32.600 -0.023 0.000 1.398 635 M HN 0.404 nan 8.290 nan 0.000 0.453 636 D N 0.805 121.205 120.400 0.001 0.000 2.216 636 D HA 0.061 4.714 4.640 0.023 0.000 0.208 636 D C 2.057 178.364 176.300 0.012 0.000 0.960 636 D CA 0.974 54.980 54.000 0.009 0.000 0.861 636 D CB 0.121 40.925 40.800 0.006 0.000 0.985 636 D HN 0.290 nan 8.370 nan 0.000 0.493 637 A N 1.279 124.103 122.820 0.007 0.000 1.969 637 A HA -0.128 4.205 4.320 0.023 0.000 0.218 637 A C 2.132 179.726 177.584 0.017 0.000 1.169 637 A CA 0.792 52.834 52.037 0.009 0.000 0.635 637 A CB -0.485 18.517 19.000 0.003 0.000 0.810 637 A HN 0.157 nan 8.150 nan 0.000 0.445 638 L N -0.443 120.789 121.223 0.015 0.000 1.988 638 L HA 0.159 4.513 4.340 0.023 0.000 0.207 638 L C 1.651 178.557 176.870 0.060 0.000 1.071 638 L CA 1.674 56.533 54.840 0.031 0.000 0.744 638 L CB -0.915 41.150 42.059 0.009 0.000 0.893 638 L HN 0.379 nan 8.230 nan 0.000 0.433 639 A N 0.000 122.852 122.820 0.053 0.000 2.254 639 A HA 0.000 4.334 4.320 0.023 0.000 0.244 639 A CA 0.000 52.071 52.037 0.057 0.000 0.836 639 A CB 0.000 19.035 19.000 0.058 0.000 0.831 639 A HN 0.000 nan 8.150 nan 0.000 0.486