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 1r1l_1_I DATA FIRST_RESID 5 DATA SEQUENCE VDIcTAKPRD IPMNPMcIYR SPEKKXXXXX XXXXXXPEAT NRRVWELSKA DATA SEQUENCE NSRFATTFYQ HLADSKNDND NIFLSPLSIS TAFAMTKLGA cNDTLQQLME DATA SEQUENCE VFKFDTISEK TSDQIHFFFA KLNcRLYRKA NKSSKLVSAN RLFGDKSLTF DATA SEQUENCE NETYQDISEL VYGAKLQPLD FKENAEQSRA AINKWVSNKT EGRITDVIPS DATA SEQUENCE EAINELTVLV LVNTIYFKGL WKSKFSPENT RKELFYKADG EScSASMMYQ DATA SEQUENCE EGKFRYRRVA EGTQVLELPF KGDDITMVLI LPKPEKSLAK VEKELTPEVL DATA SEQUENCE QEWLDELEEM MLVVHMPRFR IEDGFSLKEQ LQDMGLVDLF SPEKSKLPGI DATA SEQUENCE VAEGRDDLYV SDAFHKAFLE VNEEGSEAAA STAVVIAGRS LNPNRVTFKA DATA SEQUENCE NRPFLVFIRE VPLNTIIFMG RVANPcV 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 5 V HA 0.000 nan 4.120 nan 0.000 0.244 5 V C 0.000 176.103 176.094 0.015 0.000 1.182 5 V CA 0.000 62.309 62.300 0.016 0.000 1.235 5 V CB 0.000 31.834 31.823 0.018 0.000 1.184 6 D N 3.731 124.142 120.400 0.019 0.000 2.295 6 D HA 0.286 4.946 4.640 0.033 0.000 0.248 6 D C 1.022 177.334 176.300 0.019 0.000 1.154 6 D CA -0.190 53.818 54.000 0.014 0.000 0.857 6 D CB 1.871 42.680 40.800 0.015 0.000 1.117 6 D HN 0.597 nan 8.370 nan 0.000 0.468 7 I N 3.335 123.905 120.570 0.000 0.000 2.361 7 I HA -0.278 3.912 4.170 0.033 0.000 0.251 7 I C 1.870 177.959 176.117 -0.046 0.000 1.133 7 I CA 0.888 62.178 61.300 -0.016 0.000 1.413 7 I CB 0.273 38.231 38.000 -0.070 0.000 1.073 7 I HN 0.450 nan 8.210 nan 0.000 0.424 8 c N 0.461 119.044 118.600 -0.029 0.000 2.437 8 c HA -0.063 4.527 4.570 0.033 0.000 0.283 8 c C 2.267 176.361 174.090 0.005 0.000 1.424 8 c CA 1.422 57.737 56.329 -0.025 0.000 1.782 8 c CB -1.555 40.955 42.510 0.000 0.000 1.833 8 c HN 0.719 nan 8.230 nan 0.000 0.532 9 T N -2.870 111.702 114.554 0.030 0.000 3.091 9 T HA 0.517 4.887 4.350 0.033 0.000 0.277 9 T C 0.274 175.026 174.700 0.088 0.000 0.996 9 T CA 0.377 62.509 62.100 0.053 0.000 0.897 9 T CB 0.002 68.895 68.868 0.042 0.000 1.109 9 T HN 0.327 nan 8.240 nan 0.000 0.534 10 A N 1.980 124.870 122.820 0.116 0.000 2.322 10 A HA 0.647 4.987 4.320 0.033 0.000 0.269 10 A C 0.177 177.944 177.584 0.305 0.000 1.094 10 A CA -0.609 51.536 52.037 0.180 0.000 0.807 10 A CB 0.517 19.635 19.000 0.196 0.000 1.047 10 A HN 0.242 nan 8.150 nan 0.000 0.487 11 K N 2.058 122.575 120.400 0.195 0.000 2.118 11 K HA 0.290 4.631 4.320 0.033 0.000 0.267 11 K C -1.861 174.694 176.600 -0.075 0.000 0.991 11 K CA -2.237 54.120 56.287 0.117 0.000 0.916 11 K CB 0.987 33.507 32.500 0.034 0.000 1.041 11 K HN 0.396 nan 8.250 nan 0.000 0.455 12 P HA -0.249 nan 4.420 nan 0.000 0.218 12 P C 0.864 177.897 177.300 -0.445 0.000 1.146 12 P CA 1.565 64.003 63.100 -1.102 0.000 0.820 12 P CB 0.177 31.291 31.700 -0.978 0.000 0.778 13 R N -0.022 120.341 120.500 -0.227 0.000 2.280 13 R HA -0.030 4.330 4.340 0.033 0.000 0.207 13 R C 0.995 177.255 176.300 -0.066 0.000 1.043 13 R CA 1.174 57.200 56.100 -0.123 0.000 1.006 13 R CB -0.728 29.526 30.300 -0.078 0.000 0.885 13 R HN 0.055 nan 8.270 nan 0.000 0.467 14 D N 0.761 121.140 120.400 -0.035 0.000 2.340 14 D HA 0.112 4.772 4.640 0.033 0.000 0.220 14 D C 0.243 176.560 176.300 0.028 0.000 1.039 14 D CA 0.501 54.507 54.000 0.011 0.000 0.866 14 D CB 0.432 41.259 40.800 0.045 0.000 0.913 14 D HN 0.338 nan 8.370 nan 0.000 0.523 15 I N 1.930 122.512 120.570 0.021 0.000 2.595 15 I HA 0.197 4.387 4.170 0.033 0.000 0.275 15 I C -2.538 173.582 176.117 0.004 0.000 1.092 15 I CA -1.811 59.518 61.300 0.048 0.000 1.145 15 I CB 1.732 39.837 38.000 0.175 0.000 1.276 15 I HN -0.427 nan 8.210 nan 0.000 0.497 16 P HA 0.188 nan 4.420 nan 0.000 0.271 16 P C 0.645 177.936 177.300 -0.014 0.000 1.233 16 P CA -0.175 62.913 63.100 -0.020 0.000 0.764 16 P CB 0.685 32.375 31.700 -0.017 0.000 0.825 17 M N 1.605 121.196 119.600 -0.015 0.000 2.394 17 M HA -0.006 4.494 4.480 0.033 0.000 0.266 17 M C 0.575 176.871 176.300 -0.008 0.000 1.098 17 M CA 0.595 55.889 55.300 -0.011 0.000 1.149 17 M CB -1.473 31.130 32.600 0.004 0.000 1.369 17 M HN 0.412 nan 8.290 nan 0.000 0.450 18 N N 1.897 120.594 118.700 -0.004 0.000 2.698 18 N HA -0.104 4.656 4.740 0.033 0.000 0.258 18 N C -2.378 173.139 175.510 0.012 0.000 0.978 18 N CA 0.162 53.214 53.050 0.003 0.000 0.777 18 N CB -0.711 37.777 38.487 0.002 0.000 0.907 18 N HN 0.245 nan 8.380 nan 0.000 0.543 19 P HA 0.015 nan 4.420 nan 0.000 0.275 19 P C 1.098 178.417 177.300 0.033 0.000 1.228 19 P CA -0.382 62.737 63.100 0.031 0.000 0.786 19 P CB 0.831 32.561 31.700 0.050 0.000 0.927 20 M N 2.173 121.793 119.600 0.033 0.000 2.213 20 M HA -0.058 4.442 4.480 0.033 0.000 0.263 20 M C -0.031 176.289 176.300 0.033 0.000 1.062 20 M CA 1.870 57.186 55.300 0.026 0.000 1.105 20 M CB -0.160 32.450 32.600 0.016 0.000 1.385 20 M HN 0.358 nan 8.290 nan 0.000 0.417 21 c N -0.691 117.938 118.600 0.048 0.000 3.236 21 c HA 0.717 5.307 4.570 0.033 0.000 0.312 21 c C -0.674 173.468 174.090 0.087 0.000 1.374 21 c CA -1.465 54.901 56.329 0.062 0.000 1.455 21 c CB 1.864 44.412 42.510 0.063 0.000 1.834 21 c HN 0.281 nan 8.230 nan 0.000 0.460 22 I N 0.781 121.413 120.570 0.103 0.000 2.802 22 I HA 0.426 4.616 4.170 0.033 0.000 0.298 22 I C -1.430 174.800 176.117 0.188 0.000 1.176 22 I CA -0.401 60.975 61.300 0.126 0.000 1.025 22 I CB 1.848 39.894 38.000 0.077 0.000 1.243 22 I HN 0.823 nan 8.210 nan 0.000 0.424 23 Y N 4.425 124.763 120.300 0.064 0.000 2.406 23 Y HA 0.618 5.188 4.550 0.033 0.000 0.340 23 Y C -0.596 175.344 175.900 0.066 0.000 0.975 23 Y CA -1.057 57.083 58.100 0.067 0.000 1.056 23 Y CB 1.474 39.984 38.460 0.084 0.000 1.210 23 Y HN 0.520 nan 8.280 nan 0.000 0.448 24 R N 3.211 123.331 120.500 -0.633 0.000 2.198 24 R HA 0.426 4.786 4.340 0.033 0.000 0.339 24 R C -0.602 175.212 176.300 -0.810 0.000 1.020 24 R CA -0.172 55.625 56.100 -0.505 0.000 0.864 24 R CB 0.744 30.886 30.300 -0.263 0.000 1.105 24 R HN 0.720 nan 8.270 nan 0.000 0.463 25 S N 6.828 122.259 115.700 -0.448 0.000 2.525 25 S HA 0.122 4.612 4.470 0.033 0.000 0.285 25 S C -1.964 172.563 174.600 -0.123 0.000 1.283 25 S CA -0.768 57.309 58.200 -0.204 0.000 1.072 25 S CB 0.401 63.629 63.200 0.047 0.000 0.867 25 S HN 0.502 nan 8.310 nan 0.000 0.492 26 P HA 0.038 nan 4.420 nan 0.000 0.271 26 P C -0.216 177.093 177.300 0.016 0.000 1.233 26 P CA -0.327 62.769 63.100 -0.007 0.000 0.789 26 P CB 0.530 32.258 31.700 0.046 0.000 0.951 27 E N 0.698 120.908 120.200 0.015 0.000 2.384 27 E HA 0.004 4.374 4.350 0.033 0.000 0.266 27 E C 0.885 177.504 176.600 0.032 0.000 1.012 27 E CA -0.346 56.067 56.400 0.022 0.000 0.901 27 E CB 0.519 30.229 29.700 0.017 0.000 0.967 27 E HN 0.323 nan 8.360 nan 0.000 0.435 28 K N 3.483 123.904 120.400 0.036 0.000 2.251 28 K HA -0.133 4.207 4.320 0.033 0.000 0.250 28 K C -0.090 176.529 176.600 0.033 0.000 1.110 28 K CA 0.121 56.432 56.287 0.039 0.000 0.766 28 K CB 0.185 32.707 32.500 0.038 0.000 1.048 28 K HN 0.537 nan 8.250 nan 0.000 0.527 42 E N -0.346 119.634 120.200 -0.367 0.000 6.476 42 E HA 0.293 4.663 4.350 0.033 0.000 0.192 42 E C 0.246 176.741 176.600 -0.175 0.000 1.038 42 E CA 1.852 58.114 56.400 -0.231 0.000 1.477 42 E CB -1.672 27.906 29.700 -0.204 0.000 0.945 42 E HN 1.278 nan 8.360 nan 0.000 0.332 43 A N 1.232 123.974 122.820 -0.130 0.000 2.901 43 A HA -0.325 4.015 4.320 0.033 0.000 0.283 43 A C 1.064 178.606 177.584 -0.070 0.000 1.298 43 A CA 2.708 54.696 52.037 -0.083 0.000 1.013 43 A CB -2.356 16.614 19.000 -0.050 0.000 0.926 43 A HN 1.551 nan 8.150 nan 0.000 0.628 44 T N -2.068 112.423 114.554 -0.105 0.000 2.884 44 T HA 0.514 4.884 4.350 0.033 0.000 0.277 44 T C 0.030 174.704 174.700 -0.043 0.000 0.976 44 T CA -0.306 61.768 62.100 -0.044 0.000 0.956 44 T CB 0.747 69.623 68.868 0.014 0.000 1.113 44 T HN 0.490 nan 8.240 nan 0.000 0.554 45 N N 0.113 118.823 118.700 0.016 0.000 2.470 45 N HA 0.054 4.814 4.740 0.033 0.000 0.268 45 N C 1.098 176.620 175.510 0.020 0.000 1.136 45 N CA -0.293 52.765 53.050 0.014 0.000 0.961 45 N CB 1.192 39.698 38.487 0.033 0.000 1.067 45 N HN 0.629 nan 8.380 nan 0.000 0.468 46 R N 3.631 124.116 120.500 -0.026 0.000 2.112 46 R HA -0.106 4.254 4.340 0.033 0.000 0.242 46 R C 1.692 177.973 176.300 -0.031 0.000 1.137 46 R CA 1.826 57.911 56.100 -0.025 0.000 0.944 46 R CB -0.062 30.208 30.300 -0.050 0.000 0.857 46 R HN 0.578 nan 8.270 nan 0.000 0.435 47 R N -0.091 120.288 120.500 -0.202 0.000 2.066 47 R HA -0.052 4.308 4.340 0.033 0.000 0.232 47 R C 2.312 178.387 176.300 -0.374 0.000 1.131 47 R CA 1.533 57.309 56.100 -0.540 0.000 0.955 47 R CB -1.492 28.027 30.300 -1.301 0.000 0.851 47 R HN 0.430 nan 8.270 nan 0.000 0.432 48 V N -0.423 119.393 119.914 -0.164 0.000 2.759 48 V HA -0.090 4.050 4.120 0.033 0.000 0.256 48 V C 1.887 177.986 176.094 0.009 0.000 1.080 48 V CA 1.233 63.502 62.300 -0.052 0.000 1.101 48 V CB -0.523 31.307 31.823 0.011 0.000 0.698 48 V HN 0.418 nan 8.190 nan 0.000 0.477 49 W N 1.412 122.641 121.300 -0.118 0.000 2.418 49 W HA -0.058 4.621 4.660 0.033 0.000 0.292 49 W C 2.108 178.584 176.519 -0.071 0.000 1.213 49 W CA 1.724 59.022 57.345 -0.078 0.000 1.283 49 W CB 0.069 29.489 29.460 -0.066 0.000 1.119 49 W HN 0.424 nan 8.180 nan 0.000 0.542 50 E N 0.561 120.781 120.200 0.033 0.000 2.106 50 E HA -0.240 4.130 4.350 0.033 0.000 0.192 50 E C 2.063 178.617 176.600 -0.077 0.000 0.984 50 E CA 1.204 57.586 56.400 -0.030 0.000 0.806 50 E CB -0.603 29.099 29.700 0.004 0.000 0.750 50 E HN 0.154 nan 8.360 nan 0.000 0.458 51 L N 0.934 122.108 121.223 -0.081 0.000 2.141 51 L HA -0.096 4.264 4.340 0.033 0.000 0.209 51 L C 2.328 179.118 176.870 -0.133 0.000 1.094 51 L CA 1.561 56.363 54.840 -0.062 0.000 0.763 51 L CB -0.508 41.490 42.059 -0.102 0.000 0.908 51 L HN -0.058 nan 8.230 nan 0.000 0.437 52 S N -0.815 114.760 115.700 -0.209 0.000 2.368 52 S HA -0.213 4.277 4.470 0.033 0.000 0.225 52 S C 2.088 176.532 174.600 -0.259 0.000 1.030 52 S CA 1.509 59.555 58.200 -0.257 0.000 0.999 52 S CB -0.138 62.840 63.200 -0.370 0.000 0.844 52 S HN 0.514 nan 8.310 nan 0.000 0.459 53 K N 0.687 120.894 120.400 -0.321 0.000 2.026 53 K HA -0.024 4.316 4.320 0.033 0.000 0.208 53 K C 2.368 178.909 176.600 -0.098 0.000 1.048 53 K CA 1.198 57.339 56.287 -0.242 0.000 0.929 53 K CB -0.394 31.970 32.500 -0.226 0.000 0.713 53 K HN 0.399 nan 8.250 nan 0.000 0.439 54 A N 2.059 124.853 122.820 -0.044 0.000 1.851 54 A HA -0.234 4.106 4.320 0.033 0.000 0.216 54 A C 1.785 179.392 177.584 0.037 0.000 1.195 54 A CA 1.931 53.982 52.037 0.023 0.000 0.622 54 A CB -0.718 18.347 19.000 0.109 0.000 0.831 54 A HN 0.270 nan 8.150 nan 0.000 0.444 55 N N 0.470 119.196 118.700 0.043 0.000 2.137 55 N HA -0.118 4.642 4.740 0.033 0.000 0.190 55 N C 1.891 177.479 175.510 0.131 0.000 1.017 55 N CA 1.690 54.804 53.050 0.108 0.000 0.859 55 N CB -0.548 37.976 38.487 0.061 0.000 1.002 55 N HN 0.474 nan 8.380 nan 0.000 0.428 56 S N 0.635 116.358 115.700 0.038 0.000 2.406 56 S HA 0.052 4.542 4.470 0.033 0.000 0.228 56 S C 1.859 176.478 174.600 0.032 0.000 1.020 56 S CA 0.485 58.703 58.200 0.028 0.000 0.965 56 S CB 0.131 63.306 63.200 -0.041 0.000 0.798 56 S HN 0.352 nan 8.310 nan 0.000 0.488 57 R N 0.121 120.636 120.500 0.025 0.000 2.081 57 R HA -0.047 4.313 4.340 0.033 0.000 0.235 57 R C 2.080 178.397 176.300 0.030 0.000 1.131 57 R CA 1.390 57.499 56.100 0.014 0.000 0.960 57 R CB -0.489 29.818 30.300 0.011 0.000 0.856 57 R HN 0.460 nan 8.270 nan 0.000 0.436 58 F N 1.692 121.613 119.950 -0.049 0.000 2.146 58 F HA -0.098 4.449 4.527 0.033 0.000 0.298 58 F C 2.259 178.079 175.800 0.033 0.000 1.096 58 F CA 1.046 59.007 58.000 -0.065 0.000 1.275 58 F CB -0.415 38.511 39.000 -0.123 0.000 1.008 58 F HN -0.030 nan 8.300 nan 0.000 0.480 59 A N 0.143 122.947 122.820 -0.026 0.000 1.849 59 A HA -0.244 4.096 4.320 0.033 0.000 0.217 59 A C 2.239 179.817 177.584 -0.010 0.000 1.202 59 A CA 2.824 54.846 52.037 -0.026 0.000 0.629 59 A CB -1.583 17.478 19.000 0.101 0.000 0.834 59 A HN 0.451 nan 8.150 nan 0.000 0.447 60 T N -0.214 114.359 114.554 0.032 0.000 2.635 60 T HA -0.158 4.213 4.350 0.033 0.000 0.267 60 T C 2.041 176.766 174.700 0.041 0.000 1.040 60 T CA 2.112 64.256 62.100 0.074 0.000 1.156 60 T CB -0.761 68.129 68.868 0.036 0.000 0.863 60 T HN 0.597 nan 8.240 nan 0.000 0.430 61 T N 1.697 116.224 114.554 -0.045 0.000 2.622 61 T HA -0.094 4.276 4.350 0.033 0.000 0.266 61 T C 1.570 176.237 174.700 -0.055 0.000 1.047 61 T CA 1.403 63.471 62.100 -0.053 0.000 1.159 61 T CB -0.660 68.171 68.868 -0.062 0.000 0.863 61 T HN 0.380 nan 8.240 nan 0.000 0.422 62 F N 0.585 120.294 119.950 -0.403 0.000 2.202 62 F HA -0.147 4.400 4.527 0.033 0.000 0.301 62 F C 2.138 177.798 175.800 -0.233 0.000 1.082 62 F CA 1.034 58.764 58.000 -0.450 0.000 1.313 62 F CB -0.370 38.041 39.000 -0.983 0.000 1.024 62 F HN 0.212 nan 8.300 nan 0.000 0.495 63 Y N 1.084 121.318 120.300 -0.111 0.000 2.200 63 Y HA -0.205 4.365 4.550 0.033 0.000 0.290 63 Y C 2.435 178.222 175.900 -0.189 0.000 1.137 63 Y CA 1.973 60.001 58.100 -0.120 0.000 1.163 63 Y CB -0.668 37.764 38.460 -0.047 0.000 0.988 63 Y HN 0.165 nan 8.280 nan 0.000 0.518 64 Q N -0.864 118.827 119.800 -0.181 0.000 2.061 64 Q HA -0.257 4.103 4.340 0.033 0.000 0.204 64 Q C 2.116 177.872 176.000 -0.407 0.000 0.984 64 Q CA 1.717 57.364 55.803 -0.260 0.000 0.846 64 Q CB -0.451 28.180 28.738 -0.178 0.000 0.902 64 Q HN 0.638 nan 8.270 nan 0.000 0.421 65 H N 0.312 119.131 119.070 -0.420 0.000 2.293 65 H HA -0.135 4.441 4.556 0.033 0.000 0.300 65 H C 2.276 177.275 175.328 -0.547 0.000 1.082 65 H CA 1.496 57.274 56.048 -0.450 0.000 1.308 65 H CB -0.227 29.233 29.762 -0.503 0.000 1.375 65 H HN 0.154 nan 8.280 nan 0.000 0.495 66 L N 1.033 121.880 121.223 -0.626 0.000 2.042 66 L HA -0.138 4.222 4.340 0.033 0.000 0.210 66 L C 2.555 179.087 176.870 -0.564 0.000 1.076 66 L CA 1.990 56.418 54.840 -0.687 0.000 0.749 66 L CB -0.840 40.721 42.059 -0.830 0.000 0.893 66 L HN 0.197 nan 8.230 nan 0.000 0.432 67 A N -1.235 121.182 122.820 -0.673 0.000 1.969 67 A HA -0.239 4.101 4.320 0.033 0.000 0.218 67 A C 2.060 179.446 177.584 -0.330 0.000 1.169 67 A CA 1.670 53.384 52.037 -0.539 0.000 0.635 67 A CB -0.877 17.709 19.000 -0.689 0.000 0.810 67 A HN 0.563 nan 8.150 nan 0.000 0.445 68 D N -0.067 120.144 120.400 -0.316 0.000 2.178 68 D HA -0.118 4.542 4.640 0.033 0.000 0.202 68 D C 2.055 178.244 176.300 -0.184 0.000 0.974 68 D CA 1.572 55.439 54.000 -0.223 0.000 0.841 68 D CB 0.008 40.671 40.800 -0.228 0.000 0.953 68 D HN 0.489 nan 8.370 nan 0.000 0.478 69 S N -1.764 113.810 115.700 -0.210 0.000 2.593 69 S HA 0.117 4.607 4.470 0.033 0.000 0.217 69 S C 0.679 175.186 174.600 -0.155 0.000 0.966 69 S CA -0.382 57.718 58.200 -0.168 0.000 0.914 69 S CB 0.220 63.310 63.200 -0.184 0.000 0.776 69 S HN -0.071 nan 8.310 nan 0.000 0.523 70 K N 2.550 122.847 120.400 -0.172 0.000 2.203 70 K HA 0.370 4.710 4.320 0.033 0.000 0.251 70 K C -0.569 175.972 176.600 -0.097 0.000 0.944 70 K CA -0.875 55.329 56.287 -0.138 0.000 0.829 70 K CB 1.021 33.416 32.500 -0.175 0.000 1.125 70 K HN 0.149 nan 8.250 nan 0.000 0.430 71 N N 2.236 120.897 118.700 -0.065 0.000 2.513 71 N HA -0.030 4.730 4.740 0.033 0.000 0.268 71 N C -0.310 175.178 175.510 -0.036 0.000 1.180 71 N CA 0.151 53.175 53.050 -0.044 0.000 0.948 71 N CB 0.893 39.364 38.487 -0.027 0.000 1.083 71 N HN 0.519 nan 8.380 nan 0.000 0.455 72 D N 1.904 122.287 120.400 -0.027 0.000 2.315 72 D HA -0.138 4.522 4.640 0.033 0.000 0.211 72 D C 0.488 176.790 176.300 0.004 0.000 0.977 72 D CA 1.039 55.032 54.000 -0.013 0.000 0.894 72 D CB 0.119 40.915 40.800 -0.006 0.000 0.910 72 D HN 0.570 nan 8.370 nan 0.000 0.490 73 N N 1.013 119.716 118.700 0.004 0.000 2.336 73 N HA -0.022 4.739 4.740 0.033 0.000 0.189 73 N C -0.326 175.187 175.510 0.005 0.000 1.113 73 N CA 0.223 53.283 53.050 0.017 0.000 0.858 73 N CB 0.652 39.150 38.487 0.019 0.000 0.970 73 N HN 0.196 nan 8.380 nan 0.000 0.471 74 D N 0.843 121.239 120.400 -0.007 0.000 2.175 74 D HA 0.204 4.864 4.640 0.033 0.000 0.248 74 D C 0.179 176.470 176.300 -0.015 0.000 1.047 74 D CA -0.207 53.787 54.000 -0.009 0.000 0.883 74 D CB 1.030 41.825 40.800 -0.008 0.000 1.180 74 D HN -0.107 nan 8.370 nan 0.000 0.438 75 N N 0.850 119.540 118.700 -0.017 0.000 2.513 75 N HA 0.423 5.183 4.740 0.033 0.000 0.274 75 N C -0.199 175.346 175.510 0.059 0.000 1.189 75 N CA -0.095 52.940 53.050 -0.026 0.000 0.975 75 N CB 1.429 39.876 38.487 -0.066 0.000 1.157 75 N HN 0.343 nan 8.380 nan 0.000 0.465 76 I N 0.900 121.539 120.570 0.116 0.000 2.686 76 I HA 0.458 4.648 4.170 0.033 0.000 0.295 76 I C -1.270 175.080 176.117 0.388 0.000 1.114 76 I CA -0.729 60.701 61.300 0.217 0.000 1.038 76 I CB 1.983 40.086 38.000 0.172 0.000 1.238 76 I HN 0.292 nan 8.210 nan 0.000 0.420 77 F N 7.024 127.138 119.950 0.272 0.000 2.650 77 F HA 0.771 5.321 4.527 0.039 0.000 0.310 77 F C -1.658 174.421 175.800 0.466 0.000 1.112 77 F CA -0.594 57.586 58.000 0.300 0.000 0.986 77 F CB 1.610 40.738 39.000 0.214 0.000 1.285 77 F HN 0.371 nan 8.300 nan 0.000 0.440 78 L N 1.266 122.292 121.223 -0.329 0.000 3.064 78 L HA 0.774 5.134 4.340 0.033 0.000 0.282 78 L C -1.665 175.187 176.870 -0.030 0.000 1.045 78 L CA -0.951 53.963 54.840 0.124 0.000 0.986 78 L CB 1.624 43.879 42.059 0.327 0.000 1.571 78 L HN 0.490 nan 8.230 nan 0.000 0.377 79 S N -0.382 115.445 115.700 0.210 0.000 2.718 79 S HA 0.614 5.104 4.470 0.033 0.000 0.294 79 S C -2.229 172.346 174.600 -0.041 0.000 1.157 79 S CA -1.240 56.930 58.200 -0.050 0.000 1.121 79 S CB 1.307 64.429 63.200 -0.129 0.000 1.015 79 S HN 0.581 nan 8.310 nan 0.000 0.479 80 P HA -0.061 nan 4.420 nan 0.000 0.217 80 P C 1.537 178.930 177.300 0.153 0.000 1.150 80 P CA 0.303 63.461 63.100 0.097 0.000 0.832 80 P CB 0.149 31.930 31.700 0.134 0.000 0.787 81 L N -0.337 120.935 121.223 0.081 0.000 2.046 81 L HA -0.132 4.228 4.340 0.033 0.000 0.208 81 L C 2.454 179.426 176.870 0.170 0.000 1.077 81 L CA 2.056 56.980 54.840 0.141 0.000 0.747 81 L CB -1.632 40.467 42.059 0.067 0.000 0.896 81 L HN -0.067 nan 8.230 nan 0.000 0.432 82 S N -0.599 115.165 115.700 0.107 0.000 2.359 82 S HA -0.202 4.288 4.470 0.033 0.000 0.224 82 S C 2.064 176.763 174.600 0.164 0.000 1.035 82 S CA 1.843 60.134 58.200 0.151 0.000 1.018 82 S CB -0.462 62.879 63.200 0.235 0.000 0.876 82 S HN 0.485 nan 8.310 nan 0.000 0.448 83 I N 1.041 121.708 120.570 0.162 0.000 2.142 83 I HA -0.144 4.046 4.170 0.033 0.000 0.240 83 I C 2.723 178.917 176.117 0.128 0.000 1.078 83 I CA 1.324 62.733 61.300 0.181 0.000 1.343 83 I CB -0.630 37.409 38.000 0.065 0.000 1.046 83 I HN 0.289 nan 8.210 nan 0.000 0.405 84 S N 0.302 116.052 115.700 0.082 0.000 2.374 84 S HA -0.205 4.285 4.470 0.033 0.000 0.227 84 S C 2.057 176.734 174.600 0.128 0.000 1.037 84 S CA 2.119 60.353 58.200 0.057 0.000 1.024 84 S CB -0.490 62.892 63.200 0.303 0.000 0.861 84 S HN 0.484 nan 8.310 nan 0.000 0.456 85 T N 2.314 116.938 114.554 0.117 0.000 2.708 85 T HA -0.057 4.313 4.350 0.033 0.000 0.266 85 T C 2.160 176.627 174.700 -0.388 0.000 1.037 85 T CA 1.266 63.211 62.100 -0.258 0.000 1.146 85 T CB -0.570 68.220 68.868 -0.130 0.000 0.865 85 T HN 0.475 nan 8.240 nan 0.000 0.435 86 A N 1.065 123.770 122.820 -0.191 0.000 1.858 86 A HA -0.021 4.319 4.320 0.033 0.000 0.216 86 A C 1.983 179.335 177.584 -0.387 0.000 1.190 86 A CA 1.461 53.339 52.037 -0.265 0.000 0.617 86 A CB -1.067 17.843 19.000 -0.151 0.000 0.827 86 A HN 0.465 nan 8.150 nan 0.000 0.443 87 F N 0.086 119.794 119.950 -0.403 0.000 2.293 87 F HA 0.009 4.555 4.527 0.033 0.000 0.300 87 F C 2.701 178.269 175.800 -0.387 0.000 1.086 87 F CA 0.768 58.472 58.000 -0.492 0.000 1.375 87 F CB -0.373 38.016 39.000 -1.018 0.000 1.045 87 F HN 0.255 nan 8.300 nan 0.000 0.516 88 A N -0.546 122.156 122.820 -0.198 0.000 1.969 88 A HA -0.166 4.174 4.320 0.033 0.000 0.218 88 A C 2.224 179.696 177.584 -0.188 0.000 1.169 88 A CA 1.327 53.297 52.037 -0.112 0.000 0.635 88 A CB -0.648 18.244 19.000 -0.179 0.000 0.810 88 A HN 0.359 nan 8.150 nan 0.000 0.445 89 M N -0.982 118.314 119.600 -0.506 0.000 2.200 89 M HA -0.093 4.407 4.480 0.033 0.000 0.265 89 M C 2.029 178.219 176.300 -0.183 0.000 1.066 89 M CA 1.722 56.699 55.300 -0.539 0.000 1.127 89 M CB -0.148 32.066 32.600 -0.643 0.000 1.379 89 M HN 0.412 nan 8.290 nan 0.000 0.420 90 T N -0.252 114.189 114.554 -0.187 0.000 2.904 90 T HA -0.117 4.253 4.350 0.033 0.000 0.267 90 T C 1.663 176.347 174.700 -0.026 0.000 1.059 90 T CA 0.932 62.961 62.100 -0.118 0.000 1.137 90 T CB -0.135 68.572 68.868 -0.269 0.000 0.879 90 T HN 0.348 nan 8.240 nan 0.000 0.467 91 K N 1.005 121.421 120.400 0.027 0.000 2.280 91 K HA 0.027 4.367 4.320 0.033 0.000 0.202 91 K C 2.018 178.691 176.600 0.121 0.000 1.047 91 K CA 0.692 57.049 56.287 0.116 0.000 0.942 91 K CB -0.310 32.318 32.500 0.214 0.000 0.739 91 K HN 0.318 nan 8.250 nan 0.000 0.457 92 L N -0.385 120.880 121.223 0.070 0.000 2.189 92 L HA -0.158 4.202 4.340 0.033 0.000 0.214 92 L C 1.942 178.867 176.870 0.092 0.000 1.097 92 L CA 1.416 56.259 54.840 0.006 0.000 0.764 92 L CB -0.212 41.852 42.059 0.007 0.000 0.900 92 L HN 0.370 nan 8.230 nan 0.000 0.436 93 G N -1.451 107.374 108.800 0.041 0.000 3.453 93 G HA2 0.440 4.420 3.960 0.033 0.000 0.263 93 G HA3 0.440 4.420 3.960 0.033 0.000 0.263 93 G C 0.351 175.216 174.900 -0.060 0.000 1.060 93 G CA 0.341 45.394 45.100 -0.078 0.000 0.793 93 G HN 0.277 nan 8.290 nan 0.000 0.532 94 A N -0.527 122.290 122.820 -0.004 0.000 2.322 94 A HA 0.675 5.015 4.320 0.033 0.000 0.269 94 A C -0.310 177.290 177.584 0.026 0.000 1.094 94 A CA -0.333 51.708 52.037 0.006 0.000 0.807 94 A CB 0.915 19.936 19.000 0.035 0.000 1.047 94 A HN 0.562 nan 8.150 nan 0.000 0.487 95 c N 0.978 119.589 118.600 0.018 0.000 3.241 95 c HA 0.646 5.236 4.570 0.033 0.000 0.312 95 c C 0.532 174.637 174.090 0.024 0.000 1.350 95 c CA -0.005 56.342 56.329 0.029 0.000 1.415 95 c CB 0.141 42.662 42.510 0.018 0.000 1.770 95 c HN 1.277 nan 8.230 nan 0.000 0.466 96 N N 1.346 120.067 118.700 0.035 0.000 1.192 96 N HA -0.242 4.518 4.740 0.033 0.000 0.127 96 N C -0.009 175.505 175.510 0.006 0.000 0.811 96 N CA 1.740 54.807 53.050 0.029 0.000 0.897 96 N CB -0.697 37.803 38.487 0.021 0.000 1.110 96 N HN 0.849 nan 8.380 nan 0.000 0.573 97 D N -0.800 119.601 120.400 0.003 0.000 2.218 97 D HA -0.016 4.644 4.640 0.033 0.000 0.204 97 D C 1.597 177.890 176.300 -0.012 0.000 0.976 97 D CA 1.574 55.567 54.000 -0.011 0.000 0.853 97 D CB -0.341 40.461 40.800 0.003 0.000 0.939 97 D HN 0.405 nan 8.370 nan 0.000 0.481 98 T N 0.450 115.005 114.554 0.002 0.000 2.812 98 T HA -0.084 4.286 4.350 0.033 0.000 0.264 98 T C 1.789 176.499 174.700 0.017 0.000 1.042 98 T CA 0.358 62.466 62.100 0.013 0.000 1.140 98 T CB -0.195 68.677 68.868 0.006 0.000 0.870 98 T HN 0.062 nan 8.240 nan 0.000 0.445 99 L N 1.301 122.529 121.223 0.008 0.000 2.046 99 L HA -0.034 4.326 4.340 0.033 0.000 0.208 99 L C 2.487 179.316 176.870 -0.069 0.000 1.077 99 L CA 1.834 56.685 54.840 0.018 0.000 0.747 99 L CB -0.808 41.276 42.059 0.043 0.000 0.896 99 L HN 0.235 nan 8.230 nan 0.000 0.432 100 Q N -0.970 118.720 119.800 -0.183 0.000 2.016 100 Q HA -0.259 4.101 4.340 0.033 0.000 0.200 100 Q C 2.248 178.110 176.000 -0.231 0.000 0.978 100 Q CA 2.041 57.580 55.803 -0.440 0.000 0.833 100 Q CB -0.183 28.320 28.738 -0.391 0.000 0.895 100 Q HN 0.662 nan 8.270 nan 0.000 0.427 101 Q N 0.202 119.950 119.800 -0.087 0.000 2.112 101 Q HA -0.192 4.168 4.340 0.033 0.000 0.206 101 Q C 2.260 178.297 176.000 0.061 0.000 0.987 101 Q CA 1.653 57.450 55.803 -0.010 0.000 0.858 101 Q CB -0.168 28.588 28.738 0.030 0.000 0.905 101 Q HN 0.417 nan 8.270 nan 0.000 0.420 102 L N -0.230 121.067 121.223 0.123 0.000 2.012 102 L HA -0.232 4.128 4.340 0.033 0.000 0.210 102 L C 2.478 179.535 176.870 0.312 0.000 1.073 102 L CA 0.888 55.898 54.840 0.284 0.000 0.748 102 L CB -0.375 41.833 42.059 0.247 0.000 0.891 102 L HN 0.381 nan 8.230 nan 0.000 0.431 103 M N -0.772 118.949 119.600 0.203 0.000 2.213 103 M HA -0.177 4.323 4.480 0.033 0.000 0.263 103 M C 2.075 178.466 176.300 0.152 0.000 1.062 103 M CA 1.674 57.134 55.300 0.266 0.000 1.105 103 M CB -0.811 31.903 32.600 0.190 0.000 1.385 103 M HN 0.334 nan 8.290 nan 0.000 0.417 104 E N -0.474 119.757 120.200 0.052 0.000 2.060 104 E HA -0.079 4.291 4.350 0.033 0.000 0.189 104 E C 2.161 178.742 176.600 -0.031 0.000 0.974 104 E CA 0.825 57.239 56.400 0.024 0.000 0.808 104 E CB -0.029 29.671 29.700 -0.000 0.000 0.768 104 E HN 0.214 nan 8.360 nan 0.000 0.453 105 V N 0.990 120.858 119.914 -0.075 0.000 2.287 105 V HA -0.233 3.907 4.120 0.033 0.000 0.248 105 V C 1.719 177.580 176.094 -0.388 0.000 1.053 105 V CA 1.692 63.854 62.300 -0.231 0.000 1.027 105 V CB -0.476 31.135 31.823 -0.352 0.000 0.646 105 V HN 0.196 nan 8.190 nan 0.000 0.447 106 F N 0.184 119.940 119.950 -0.322 0.000 2.769 106 F HA 0.211 4.758 4.527 0.033 0.000 0.304 106 F C 1.312 176.693 175.800 -0.698 0.000 1.158 106 F CA -0.047 57.525 58.000 -0.714 0.000 1.398 106 F CB -0.320 37.947 39.000 -1.221 0.000 1.094 106 F HN 0.030 nan 8.300 nan 0.000 0.553 107 K N -1.321 118.944 120.400 -0.225 0.000 3.130 107 K HA -0.257 4.083 4.320 0.033 0.000 0.282 107 K C 0.665 177.266 176.600 0.001 0.000 1.145 107 K CA 0.623 56.863 56.287 -0.078 0.000 0.831 107 K CB -2.578 29.907 32.500 -0.024 0.000 1.226 107 K HN 0.313 nan 8.250 nan 0.000 0.478 108 F N 1.564 121.611 119.950 0.161 0.000 2.365 108 F HA -0.097 4.450 4.527 0.033 0.000 0.300 108 F C 2.185 178.081 175.800 0.161 0.000 1.090 108 F CA 1.435 59.522 58.000 0.146 0.000 1.408 108 F CB -0.379 38.708 39.000 0.145 0.000 1.060 108 F HN 0.192 nan 8.300 nan 0.000 0.534 109 D N -0.508 120.090 120.400 0.330 0.000 2.371 109 D HA -0.118 4.542 4.640 0.033 0.000 0.221 109 D C 1.463 177.886 176.300 0.205 0.000 0.986 109 D CA 1.260 55.444 54.000 0.307 0.000 0.899 109 D CB -1.305 39.709 40.800 0.358 0.000 0.902 109 D HN 0.347 nan 8.370 nan 0.000 0.530 110 T N -1.749 112.907 114.554 0.169 0.000 3.219 110 T HA 0.226 4.596 4.350 0.033 0.000 0.249 110 T C 0.980 175.751 174.700 0.117 0.000 1.099 110 T CA -0.465 61.707 62.100 0.119 0.000 0.988 110 T CB -0.692 68.227 68.868 0.085 0.000 0.999 110 T HN 0.144 nan 8.240 nan 0.000 0.550 111 I N 2.648 123.309 120.570 0.152 0.000 2.417 111 I HA 0.211 4.402 4.170 0.033 0.000 0.283 111 I C 0.050 176.246 176.117 0.131 0.000 1.121 111 I CA -0.686 60.698 61.300 0.141 0.000 1.211 111 I CB 0.095 38.212 38.000 0.195 0.000 1.492 111 I HN 0.128 nan 8.210 nan 0.000 0.522 112 S N 3.964 119.721 115.700 0.096 0.000 3.116 112 S HA -0.178 4.312 4.470 0.033 0.000 0.373 112 S C 1.108 175.747 174.600 0.065 0.000 1.193 112 S CA 0.590 58.833 58.200 0.072 0.000 0.972 112 S CB -0.124 63.110 63.200 0.056 0.000 0.671 112 S HN 0.760 nan 8.310 nan 0.000 0.488 113 E N -0.950 119.271 120.200 0.036 0.000 2.885 113 E HA -0.271 4.099 4.350 0.033 0.000 0.267 113 E C -0.340 176.278 176.600 0.030 0.000 1.100 113 E CA 0.962 57.370 56.400 0.014 0.000 0.779 113 E CB -0.550 29.160 29.700 0.017 0.000 1.383 113 E HN 0.368 nan 8.360 nan 0.000 0.443 114 K N 1.381 121.823 120.400 0.069 0.000 2.172 114 K HA 0.187 4.527 4.320 0.033 0.000 0.276 114 K C 0.454 177.087 176.600 0.055 0.000 1.013 114 K CA -0.086 56.264 56.287 0.104 0.000 0.913 114 K CB 1.200 33.831 32.500 0.220 0.000 1.055 114 K HN 0.154 nan 8.250 nan 0.000 0.461 115 T N -1.653 112.918 114.554 0.029 0.000 2.899 115 T HA 0.028 4.398 4.350 0.033 0.000 0.295 115 T C 1.505 176.239 174.700 0.057 0.000 1.033 115 T CA -0.349 61.762 62.100 0.018 0.000 1.084 115 T CB 0.822 69.694 68.868 0.006 0.000 0.979 115 T HN 0.496 nan 8.240 nan 0.000 0.532 116 S N 0.990 116.763 115.700 0.123 0.000 2.420 116 S HA -0.236 4.254 4.470 0.033 0.000 0.237 116 S C 1.532 176.188 174.600 0.093 0.000 1.023 116 S CA 1.359 59.651 58.200 0.152 0.000 0.991 116 S CB -0.694 62.659 63.200 0.255 0.000 0.792 116 S HN 0.932 nan 8.310 nan 0.000 0.488 117 D N 0.946 121.410 120.400 0.106 0.000 2.249 117 D HA -0.135 4.525 4.640 0.033 0.000 0.205 117 D C 1.832 178.159 176.300 0.046 0.000 0.962 117 D CA 0.682 54.781 54.000 0.166 0.000 0.860 117 D CB -0.525 40.331 40.800 0.093 0.000 0.955 117 D HN 0.517 nan 8.370 nan 0.000 0.505 118 Q N -0.241 119.494 119.800 -0.108 0.000 2.224 118 Q HA -0.030 4.330 4.340 0.033 0.000 0.203 118 Q C 2.094 177.755 176.000 -0.564 0.000 0.970 118 Q CA 0.450 56.032 55.803 -0.369 0.000 0.865 118 Q CB -0.020 28.497 28.738 -0.369 0.000 0.922 118 Q HN 0.203 nan 8.270 nan 0.000 0.445 119 I N 0.387 120.771 120.570 -0.309 0.000 2.208 119 I HA -0.311 3.879 4.170 0.033 0.000 0.245 119 I C 2.029 178.002 176.117 -0.240 0.000 1.097 119 I CA 1.582 62.721 61.300 -0.269 0.000 1.363 119 I CB -0.472 37.257 38.000 -0.452 0.000 1.051 119 I HN 0.312 nan 8.210 nan 0.000 0.413 120 H N -1.580 117.466 119.070 -0.041 0.000 2.423 120 H HA -0.166 4.410 4.556 0.033 0.000 0.297 120 H C 2.162 177.460 175.328 -0.050 0.000 1.075 120 H CA 1.609 57.660 56.048 0.005 0.000 1.342 120 H CB -0.552 29.200 29.762 -0.016 0.000 1.395 120 H HN 0.341 nan 8.280 nan 0.000 0.530 121 F N 1.043 120.914 119.950 -0.132 0.000 2.146 121 F HA -0.122 4.425 4.527 0.034 0.000 0.298 121 F C 2.159 177.974 175.800 0.025 0.000 1.096 121 F CA 1.027 58.946 58.000 -0.135 0.000 1.275 121 F CB -0.634 38.209 39.000 -0.263 0.000 1.008 121 F HN -0.048 nan 8.300 nan 0.000 0.480 122 F N -1.425 118.597 119.950 0.119 0.000 2.171 122 F HA -0.198 4.349 4.527 0.033 0.000 0.300 122 F C 2.385 178.170 175.800 -0.025 0.000 1.090 122 F CA 0.723 58.738 58.000 0.026 0.000 1.293 122 F CB -0.756 38.280 39.000 0.060 0.000 1.013 122 F HN -0.023 nan 8.300 nan 0.000 0.486 123 F N 0.497 120.490 119.950 0.072 0.000 2.234 123 F HA -0.165 4.381 4.527 0.033 0.000 0.299 123 F C 2.400 178.175 175.800 -0.043 0.000 1.087 123 F CA 0.652 58.676 58.000 0.040 0.000 1.340 123 F CB -0.058 38.991 39.000 0.080 0.000 1.031 123 F HN -0.071 nan 8.300 nan 0.000 0.500 124 A N -0.078 122.768 122.820 0.043 0.000 1.897 124 A HA -0.140 4.200 4.320 0.033 0.000 0.215 124 A C 2.151 179.693 177.584 -0.070 0.000 1.181 124 A CA 1.103 53.072 52.037 -0.114 0.000 0.620 124 A CB -0.365 18.456 19.000 -0.299 0.000 0.821 124 A HN 0.126 nan 8.150 nan 0.000 0.443 125 K N -0.448 119.871 120.400 -0.135 0.000 2.147 125 K HA -0.087 4.253 4.320 0.033 0.000 0.205 125 K C 1.850 178.450 176.600 0.000 0.000 1.049 125 K CA 1.138 57.369 56.287 -0.094 0.000 0.936 125 K CB -0.723 31.718 32.500 -0.099 0.000 0.722 125 K HN 0.472 nan 8.250 nan 0.000 0.446 126 L N 1.752 123.000 121.223 0.042 0.000 2.056 126 L HA -0.107 4.253 4.340 0.033 0.000 0.207 126 L C 1.419 178.319 176.870 0.051 0.000 1.078 126 L CA 1.760 56.617 54.840 0.029 0.000 0.749 126 L CB -0.674 41.371 42.059 -0.023 0.000 0.901 126 L HN 0.172 nan 8.230 nan 0.000 0.433 127 N N -1.541 117.262 118.700 0.172 0.000 2.188 127 N HA -0.191 4.569 4.740 0.033 0.000 0.184 127 N C 1.853 177.455 175.510 0.154 0.000 1.018 127 N CA 1.328 54.521 53.050 0.238 0.000 0.858 127 N CB -0.280 38.453 38.487 0.409 0.000 0.989 127 N HN 0.414 nan 8.380 nan 0.000 0.426 128 c N 0.788 119.444 118.600 0.094 0.000 2.413 128 c HA -0.056 4.534 4.570 0.033 0.000 0.277 128 c C 2.680 176.790 174.090 0.034 0.000 1.228 128 c CA 0.648 57.019 56.329 0.069 0.000 1.731 128 c CB -0.947 41.576 42.510 0.022 0.000 2.042 128 c HN 0.408 nan 8.230 nan 0.000 0.468 129 R N 0.599 121.098 120.500 -0.001 0.000 2.080 129 R HA -0.057 4.303 4.340 0.033 0.000 0.236 129 R C 2.112 178.367 176.300 -0.075 0.000 1.137 129 R CA 1.386 57.476 56.100 -0.016 0.000 0.943 129 R CB -0.742 29.554 30.300 -0.007 0.000 0.846 129 R HN 0.508 nan 8.270 nan 0.000 0.431 130 L N -0.966 120.134 121.223 -0.205 0.000 2.013 130 L HA -0.213 4.147 4.340 0.033 0.000 0.212 130 L C 0.804 177.389 176.870 -0.476 0.000 1.073 130 L CA 1.367 55.944 54.840 -0.439 0.000 0.753 130 L CB -0.285 41.286 42.059 -0.813 0.000 0.890 130 L HN 0.305 nan 8.230 nan 0.000 0.432 131 Y N -0.248 120.108 120.300 0.095 0.000 2.897 131 Y HA 0.156 4.726 4.550 0.032 0.000 0.372 131 Y C 1.709 177.653 175.900 0.073 0.000 1.034 131 Y CA -0.708 57.447 58.100 0.092 0.000 1.627 131 Y CB -0.473 38.042 38.460 0.091 0.000 1.474 131 Y HN 0.122 nan 8.280 nan 0.000 0.517 132 R N 1.525 122.086 120.500 0.103 0.000 2.133 132 R HA -0.288 4.072 4.340 0.033 0.000 0.247 132 R C 1.337 177.696 176.300 0.098 0.000 1.151 132 R CA 1.965 58.116 56.100 0.085 0.000 0.971 132 R CB -0.343 29.993 30.300 0.060 0.000 0.866 132 R HN 0.400 nan 8.270 nan 0.000 0.447 133 K N -0.588 119.881 120.400 0.116 0.000 3.529 133 K HA -0.230 4.110 4.320 0.033 0.000 0.313 133 K C 0.228 176.871 176.600 0.071 0.000 1.316 133 K CA 0.589 56.935 56.287 0.100 0.000 0.988 133 K CB -1.486 31.071 32.500 0.095 0.000 1.252 133 K HN 0.537 nan 8.250 nan 0.000 0.438 134 A N 1.053 123.913 122.820 0.066 0.000 2.454 134 A HA 0.010 4.350 4.320 0.033 0.000 0.256 134 A C 0.464 178.078 177.584 0.049 0.000 1.132 134 A CA 0.800 52.869 52.037 0.053 0.000 0.810 134 A CB -0.059 18.971 19.000 0.051 0.000 1.083 134 A HN 0.470 nan 8.150 nan 0.000 0.516 135 N N -0.002 118.723 118.700 0.041 0.000 3.117 135 N HA 0.023 4.783 4.740 0.033 0.000 0.323 135 N C -0.031 175.504 175.510 0.042 0.000 1.245 135 N CA 0.311 53.383 53.050 0.037 0.000 1.191 135 N CB -0.342 38.163 38.487 0.031 0.000 1.451 135 N HN 0.389 nan 8.380 nan 0.000 0.555 136 K N -0.665 119.765 120.400 0.051 0.000 2.362 136 K HA 0.311 4.651 4.320 0.033 0.000 0.245 136 K C 0.817 177.450 176.600 0.053 0.000 1.040 136 K CA -0.444 55.879 56.287 0.059 0.000 0.961 136 K CB 0.497 33.042 32.500 0.074 0.000 1.252 136 K HN 0.079 nan 8.250 nan 0.000 0.503 137 S N -0.354 115.383 115.700 0.063 0.000 2.566 137 S HA 0.076 4.566 4.470 0.033 0.000 0.234 137 S C 0.511 175.132 174.600 0.035 0.000 1.075 137 S CA -0.024 58.207 58.200 0.052 0.000 0.926 137 S CB 0.361 63.603 63.200 0.070 0.000 0.811 137 S HN 0.423 nan 8.310 nan 0.000 0.518 138 S N 1.699 117.433 115.700 0.056 0.000 2.585 138 S HA 0.372 4.862 4.470 0.033 0.000 0.277 138 S C -0.290 174.317 174.600 0.012 0.000 1.241 138 S CA -0.477 57.723 58.200 -0.000 0.000 1.041 138 S CB 1.142 64.396 63.200 0.090 0.000 0.987 138 S HN 0.240 nan 8.310 nan 0.000 0.512 139 K N 2.352 122.703 120.400 -0.082 0.000 2.263 139 K HA 0.464 4.804 4.320 0.033 0.000 0.272 139 K C -1.547 175.124 176.600 0.119 0.000 1.033 139 K CA -0.576 55.724 56.287 0.021 0.000 0.884 139 K CB 0.460 32.968 32.500 0.014 0.000 1.107 139 K HN 0.375 nan 8.250 nan 0.000 0.460 140 L N 6.592 127.967 121.223 0.254 0.000 2.427 140 L HA 0.361 4.721 4.340 0.033 0.000 0.264 140 L C -1.302 175.835 176.870 0.445 0.000 0.989 140 L CA -0.643 54.437 54.840 0.400 0.000 0.865 140 L CB 1.459 43.758 42.059 0.401 0.000 1.209 140 L HN 0.402 nan 8.230 nan 0.000 0.430 141 V N 1.261 121.399 119.914 0.374 0.000 3.046 141 V HA 0.973 5.114 4.120 0.033 0.000 0.316 141 V C -0.412 175.666 176.094 -0.027 0.000 1.104 141 V CA -0.475 61.935 62.300 0.183 0.000 1.006 141 V CB 1.806 33.694 31.823 0.108 0.000 1.058 141 V HN 0.766 nan 8.190 nan 0.000 0.440 142 S N 0.865 116.326 115.700 -0.399 0.000 2.546 142 S HA 0.902 5.392 4.470 0.033 0.000 0.274 142 S C -0.795 173.647 174.600 -0.262 0.000 1.121 142 S CA 0.101 58.032 58.200 -0.449 0.000 0.887 142 S CB 1.661 64.206 63.200 -1.092 0.000 1.094 142 S HN 2.212 nan 8.310 nan 0.000 0.474 143 A N 3.731 126.487 122.820 -0.108 0.000 2.408 143 A HA 0.745 5.085 4.320 0.033 0.000 0.295 143 A C -1.311 176.420 177.584 0.244 0.000 1.040 143 A CA -0.819 51.236 52.037 0.030 0.000 0.707 143 A CB 1.067 19.996 19.000 -0.118 0.000 1.235 143 A HN 0.725 nan 8.150 nan 0.000 0.418 144 N N 1.375 120.217 118.700 0.237 0.000 2.314 144 N HA 0.721 5.481 4.740 0.033 0.000 0.304 144 N C -0.650 174.860 175.510 -0.001 0.000 1.073 144 N CA -0.454 52.680 53.050 0.141 0.000 0.822 144 N CB 2.389 40.877 38.487 0.003 0.000 1.280 144 N HN 0.800 nan 8.380 nan 0.000 0.489 145 R N 1.413 121.774 120.500 -0.232 0.000 2.594 145 R HA 0.410 4.771 4.340 0.033 0.000 0.265 145 R C -1.735 174.191 176.300 -0.624 0.000 1.070 145 R CA -0.548 55.162 56.100 -0.651 0.000 0.909 145 R CB 1.192 30.607 30.300 -1.476 0.000 1.243 145 R HN 0.455 nan 8.270 nan 0.000 0.455 146 L N 4.575 125.400 121.223 -0.664 0.000 2.282 146 L HA 0.507 4.867 4.340 0.033 0.000 0.288 146 L C -0.951 175.530 176.870 -0.649 0.000 1.033 146 L CA -0.567 53.979 54.840 -0.489 0.000 0.807 146 L CB 1.168 42.981 42.059 -0.409 0.000 1.209 146 L HN 0.549 nan 8.230 nan 0.000 0.423 147 F N 1.757 121.597 119.950 -0.184 0.000 2.311 147 F HA 0.506 5.053 4.527 0.033 0.000 0.371 147 F C 0.903 176.765 175.800 0.103 0.000 1.083 147 F CA -0.558 57.393 58.000 -0.083 0.000 1.113 147 F CB 1.428 40.447 39.000 0.031 0.000 1.349 147 F HN 0.422 nan 8.300 nan 0.000 0.470 148 G N 1.362 110.206 108.800 0.073 0.000 2.461 148 G HA2 0.203 4.183 3.960 0.033 0.000 0.329 148 G HA3 0.203 4.183 3.960 0.033 0.000 0.329 148 G C -1.323 173.780 174.900 0.337 0.000 1.170 148 G CA -0.575 44.691 45.100 0.278 0.000 0.935 148 G HN 0.416 nan 8.290 nan 0.000 0.492 149 D N 0.259 120.979 120.400 0.532 0.000 2.351 149 D HA 0.018 4.678 4.640 0.033 0.000 0.251 149 D C 1.623 178.031 176.300 0.180 0.000 1.137 149 D CA -0.280 53.882 54.000 0.270 0.000 0.879 149 D CB 1.168 42.179 40.800 0.351 0.000 1.181 149 D HN 0.547 nan 8.370 nan 0.000 0.448 150 K N 1.327 121.750 120.400 0.037 0.000 2.160 150 K HA -0.211 4.129 4.320 0.033 0.000 0.206 150 K C 1.596 178.228 176.600 0.053 0.000 1.047 150 K CA 1.723 58.030 56.287 0.034 0.000 0.930 150 K CB -0.202 32.286 32.500 -0.022 0.000 0.720 150 K HN 0.296 nan 8.250 nan 0.000 0.450 151 S N 0.976 116.703 115.700 0.046 0.000 2.436 151 S HA 0.038 4.528 4.470 0.033 0.000 0.228 151 S C 1.141 175.744 174.600 0.004 0.000 1.014 151 S CA -0.175 58.038 58.200 0.023 0.000 0.950 151 S CB -0.463 62.746 63.200 0.016 0.000 0.784 151 S HN 0.214 nan 8.310 nan 0.000 0.504 152 L N 2.339 123.561 121.223 -0.002 0.000 2.472 152 L HA 0.296 4.656 4.340 0.033 0.000 0.260 152 L C 0.342 177.136 176.870 -0.127 0.000 1.209 152 L CA -0.155 54.599 54.840 -0.143 0.000 0.817 152 L CB 0.561 42.402 42.059 -0.364 0.000 1.106 152 L HN 0.330 nan 8.230 nan 0.000 0.479 153 T N -1.269 113.155 114.554 -0.217 0.000 2.893 153 T HA 0.481 4.851 4.350 0.033 0.000 0.324 153 T C -0.464 174.138 174.700 -0.163 0.000 1.082 153 T CA -0.607 61.438 62.100 -0.092 0.000 0.983 153 T CB -0.036 68.799 68.868 -0.055 0.000 1.005 153 T HN 0.096 nan 8.240 nan 0.000 0.475 154 F N 2.472 122.429 119.950 0.012 0.000 2.410 154 F HA 0.351 4.898 4.527 0.034 0.000 0.334 154 F C 1.298 177.121 175.800 0.040 0.000 1.134 154 F CA -0.951 57.067 58.000 0.031 0.000 1.227 154 F CB 0.539 39.587 39.000 0.080 0.000 1.194 154 F HN 0.523 nan 8.300 nan 0.000 0.571 155 N N 2.187 121.023 118.700 0.228 0.000 2.412 155 N HA -0.093 4.667 4.740 0.033 0.000 0.258 155 N C 0.820 176.436 175.510 0.176 0.000 1.236 155 N CA 0.393 53.538 53.050 0.158 0.000 0.882 155 N CB 0.495 39.067 38.487 0.142 0.000 1.066 155 N HN 0.683 nan 8.380 nan 0.000 0.465 156 E N 1.996 122.256 120.200 0.099 0.000 2.110 156 E HA -0.143 4.227 4.350 0.033 0.000 0.193 156 E C 1.120 177.748 176.600 0.046 0.000 0.988 156 E CA 1.548 57.986 56.400 0.062 0.000 0.804 156 E CB -0.013 29.707 29.700 0.034 0.000 0.745 156 E HN 0.678 nan 8.360 nan 0.000 0.458 157 T N 0.543 115.131 114.554 0.057 0.000 2.821 157 T HA -0.166 4.204 4.350 0.033 0.000 0.267 157 T C 1.581 176.305 174.700 0.041 0.000 1.046 157 T CA 1.013 63.134 62.100 0.035 0.000 1.139 157 T CB -0.389 68.501 68.868 0.038 0.000 0.871 157 T HN 0.235 nan 8.240 nan 0.000 0.454 158 Y N 1.898 122.186 120.300 -0.020 0.000 2.128 158 Y HA -0.189 4.381 4.550 0.033 0.000 0.284 158 Y C 2.704 178.574 175.900 -0.049 0.000 1.154 158 Y CA 1.639 59.720 58.100 -0.030 0.000 1.149 158 Y CB -0.528 37.936 38.460 0.007 0.000 0.976 158 Y HN 0.178 nan 8.280 nan 0.000 0.505 159 Q N -0.112 119.636 119.800 -0.086 0.000 2.030 159 Q HA -0.229 4.131 4.340 0.033 0.000 0.204 159 Q C 1.745 177.620 176.000 -0.208 0.000 0.986 159 Q CA 2.148 57.836 55.803 -0.193 0.000 0.843 159 Q CB -0.188 28.515 28.738 -0.058 0.000 0.904 159 Q HN 0.483 nan 8.270 nan 0.000 0.420 160 D N 0.379 120.705 120.400 -0.124 0.000 2.092 160 D HA -0.169 4.491 4.640 0.033 0.000 0.193 160 D C 1.912 178.130 176.300 -0.137 0.000 0.994 160 D CA 1.017 54.950 54.000 -0.110 0.000 0.828 160 D CB -0.237 40.524 40.800 -0.065 0.000 0.963 160 D HN 0.284 nan 8.370 nan 0.000 0.450 161 I N 0.904 121.385 120.570 -0.148 0.000 2.226 161 I HA -0.181 4.009 4.170 0.033 0.000 0.245 161 I C 2.268 178.269 176.117 -0.193 0.000 1.100 161 I CA 0.945 62.150 61.300 -0.158 0.000 1.374 161 I CB -1.042 36.871 38.000 -0.145 0.000 1.057 161 I HN -0.100 nan 8.210 nan 0.000 0.413 162 S N 0.150 115.677 115.700 -0.288 0.000 2.400 162 S HA -0.231 4.259 4.470 0.033 0.000 0.232 162 S C 1.920 176.423 174.600 -0.162 0.000 1.025 162 S CA 1.500 59.542 58.200 -0.263 0.000 0.993 162 S CB -0.154 62.717 63.200 -0.549 0.000 0.808 162 S HN 0.531 nan 8.310 nan 0.000 0.478 163 E N 0.501 120.591 120.200 -0.184 0.000 2.042 163 E HA -0.056 4.314 4.350 0.033 0.000 0.189 163 E C 2.109 178.639 176.600 -0.117 0.000 0.974 163 E CA 0.551 56.866 56.400 -0.141 0.000 0.806 163 E CB -0.189 29.428 29.700 -0.140 0.000 0.769 163 E HN 0.304 nan 8.360 nan 0.000 0.451 164 L N 0.638 121.787 121.223 -0.123 0.000 2.012 164 L HA -0.137 4.223 4.340 0.033 0.000 0.210 164 L C 2.143 178.917 176.870 -0.160 0.000 1.073 164 L CA 1.515 56.287 54.840 -0.113 0.000 0.748 164 L CB -0.342 41.661 42.059 -0.093 0.000 0.891 164 L HN 0.097 nan 8.230 nan 0.000 0.431 165 V N -1.752 118.013 119.914 -0.249 0.000 2.379 165 V HA -0.174 3.966 4.120 0.033 0.000 0.243 165 V C 1.524 177.255 176.094 -0.606 0.000 1.035 165 V CA 1.468 63.485 62.300 -0.473 0.000 1.035 165 V CB -0.506 30.901 31.823 -0.694 0.000 0.673 165 V HN 0.450 nan 8.190 nan 0.000 0.457 166 Y N 0.025 120.244 120.300 -0.135 0.000 2.507 166 Y HA 0.497 5.067 4.550 0.033 0.000 0.254 166 Y C 1.817 177.648 175.900 -0.117 0.000 1.171 166 Y CA 0.364 58.380 58.100 -0.140 0.000 1.238 166 Y CB 0.349 38.688 38.460 -0.202 0.000 1.148 166 Y HN 0.292 nan 8.280 nan 0.000 0.525 167 G N 1.031 109.819 108.800 -0.021 0.000 2.187 167 G HA2 -0.291 3.689 3.960 0.033 0.000 0.261 167 G HA3 -0.291 3.689 3.960 0.033 0.000 0.261 167 G C 0.261 175.132 174.900 -0.048 0.000 1.000 167 G CA 0.216 45.296 45.100 -0.033 0.000 0.718 167 G HN 0.604 nan 8.290 nan 0.000 0.519 168 A N 0.236 123.010 122.820 -0.077 0.000 2.302 168 A HA 0.634 4.974 4.320 0.033 0.000 0.295 168 A C 0.780 178.224 177.584 -0.233 0.000 1.235 168 A CA -0.195 51.745 52.037 -0.161 0.000 0.876 168 A CB 0.568 19.451 19.000 -0.194 0.000 1.133 168 A HN 0.236 nan 8.150 nan 0.000 0.533 169 K N 1.300 121.538 120.400 -0.271 0.000 2.102 169 K HA 0.312 4.652 4.320 0.033 0.000 0.244 169 K C -0.564 175.793 176.600 -0.404 0.000 1.021 169 K CA -0.594 55.519 56.287 -0.290 0.000 0.913 169 K CB 1.029 33.372 32.500 -0.261 0.000 1.062 169 K HN 0.564 nan 8.250 nan 0.000 0.485 170 L N 2.668 123.672 121.223 -0.365 0.000 2.356 170 L HA 0.219 4.579 4.340 0.033 0.000 0.264 170 L C -0.609 176.035 176.870 -0.378 0.000 1.029 170 L CA -0.145 54.445 54.840 -0.417 0.000 0.897 170 L CB 0.744 42.584 42.059 -0.365 0.000 1.256 170 L HN 0.621 nan 8.230 nan 0.000 0.444 171 Q N 6.283 125.791 119.800 -0.486 0.000 2.296 171 Q HA 0.425 4.785 4.340 0.033 0.000 0.257 171 Q C -2.322 173.542 176.000 -0.226 0.000 0.942 171 Q CA -1.670 53.920 55.803 -0.354 0.000 0.939 171 Q CB 1.543 30.014 28.738 -0.445 0.000 1.198 171 Q HN 0.424 nan 8.270 nan 0.000 0.429 172 P HA 0.151 nan 4.420 nan 0.000 0.276 172 P C -1.036 176.177 177.300 -0.146 0.000 1.243 172 P CA 0.220 63.255 63.100 -0.108 0.000 0.768 172 P CB 0.616 32.274 31.700 -0.069 0.000 0.856 173 L N 2.233 123.295 121.223 -0.268 0.000 2.301 173 L HA 0.484 4.844 4.340 0.033 0.000 0.264 173 L C 0.126 176.681 176.870 -0.525 0.000 1.016 173 L CA -0.763 53.798 54.840 -0.464 0.000 0.821 173 L CB 1.962 43.542 42.059 -0.798 0.000 1.346 173 L HN 0.181 nan 8.230 nan 0.000 0.429 174 D N 0.005 120.157 120.400 -0.413 0.000 2.540 174 D HA 0.250 4.910 4.640 0.033 0.000 0.251 174 D C 0.614 176.814 176.300 -0.166 0.000 1.159 174 D CA -0.113 53.750 54.000 -0.229 0.000 0.974 174 D CB 0.165 40.899 40.800 -0.111 0.000 0.996 174 D HN 0.274 nan 8.370 nan 0.000 0.512 175 F N 1.096 121.059 119.950 0.022 0.000 2.234 175 F HA -0.051 4.495 4.527 0.033 0.000 0.299 175 F C 2.257 178.062 175.800 0.009 0.000 1.087 175 F CA 0.485 58.493 58.000 0.014 0.000 1.340 175 F CB 0.167 39.179 39.000 0.021 0.000 1.031 175 F HN 0.165 nan 8.300 nan 0.000 0.500 176 K N 0.072 120.576 120.400 0.173 0.000 2.002 176 K HA -0.147 4.193 4.320 0.033 0.000 0.209 176 K C 1.938 178.577 176.600 0.065 0.000 1.048 176 K CA 1.420 57.768 56.287 0.100 0.000 0.930 176 K CB -0.134 32.407 32.500 0.068 0.000 0.714 176 K HN 0.149 nan 8.250 nan 0.000 0.438 177 E N 0.486 120.712 120.200 0.043 0.000 2.057 177 E HA 0.016 4.387 4.350 0.033 0.000 0.190 177 E C 0.350 176.966 176.600 0.027 0.000 0.969 177 E CA 0.747 57.163 56.400 0.026 0.000 0.812 177 E CB -0.002 29.704 29.700 0.010 0.000 0.777 177 E HN 0.319 nan 8.360 nan 0.000 0.455 178 N N 0.948 119.659 118.700 0.020 0.000 2.976 178 N HA 0.337 5.097 4.740 0.033 0.000 0.255 178 N C 0.322 175.858 175.510 0.044 0.000 1.312 178 N CA -0.048 53.012 53.050 0.018 0.000 0.897 178 N CB 1.524 40.006 38.487 -0.009 0.000 1.184 178 N HN -0.005 nan 8.380 nan 0.000 0.497 179 A N 1.133 124.009 122.820 0.094 0.000 1.855 179 A HA -0.190 4.150 4.320 0.033 0.000 0.215 179 A C 2.147 179.800 177.584 0.116 0.000 1.191 179 A CA 1.316 53.459 52.037 0.176 0.000 0.613 179 A CB -0.267 18.823 19.000 0.151 0.000 0.829 179 A HN 0.446 nan 8.150 nan 0.000 0.442 180 E N 0.044 120.281 120.200 0.061 0.000 2.070 180 E HA -0.278 4.092 4.350 0.033 0.000 0.197 180 E C 2.144 178.756 176.600 0.020 0.000 1.004 180 E CA 2.075 58.495 56.400 0.034 0.000 0.805 180 E CB -0.422 29.290 29.700 0.019 0.000 0.744 180 E HN 0.701 nan 8.360 nan 0.000 0.451 181 Q N -0.607 119.200 119.800 0.011 0.000 2.170 181 Q HA -0.109 4.251 4.340 0.033 0.000 0.203 181 Q C 1.975 177.963 176.000 -0.021 0.000 0.976 181 Q CA 1.635 57.433 55.803 -0.008 0.000 0.858 181 Q CB -0.068 28.660 28.738 -0.015 0.000 0.907 181 Q HN 0.224 nan 8.270 nan 0.000 0.433 182 S N 0.088 115.780 115.700 -0.013 0.000 2.387 182 S HA -0.098 4.392 4.470 0.033 0.000 0.226 182 S C 1.714 176.311 174.600 -0.005 0.000 1.026 182 S CA 1.020 59.192 58.200 -0.047 0.000 0.972 182 S CB -0.168 62.981 63.200 -0.084 0.000 0.814 182 S HN 0.391 nan 8.310 nan 0.000 0.477 183 R N 1.411 121.935 120.500 0.039 0.000 2.092 183 R HA 0.032 4.392 4.340 0.033 0.000 0.231 183 R C 2.221 178.495 176.300 -0.043 0.000 1.119 183 R CA 1.194 57.294 56.100 -0.000 0.000 0.970 183 R CB -0.398 29.910 30.300 0.013 0.000 0.864 183 R HN 0.351 nan 8.270 nan 0.000 0.440 184 A N 0.555 123.358 122.820 -0.028 0.000 1.969 184 A HA -0.003 4.337 4.320 0.033 0.000 0.218 184 A C 2.266 179.831 177.584 -0.031 0.000 1.169 184 A CA 1.367 53.388 52.037 -0.026 0.000 0.635 184 A CB -0.541 18.450 19.000 -0.016 0.000 0.810 184 A HN 0.532 nan 8.150 nan 0.000 0.445 185 A N 0.305 123.097 122.820 -0.047 0.000 1.855 185 A HA -0.040 4.300 4.320 0.033 0.000 0.215 185 A C 2.089 179.629 177.584 -0.074 0.000 1.191 185 A CA 1.399 53.415 52.037 -0.035 0.000 0.613 185 A CB -0.641 18.334 19.000 -0.041 0.000 0.829 185 A HN 0.456 nan 8.150 nan 0.000 0.442 186 I N 0.251 120.650 120.570 -0.285 0.000 2.091 186 I HA -0.373 3.817 4.170 0.033 0.000 0.239 186 I C 2.315 178.367 176.117 -0.110 0.000 1.061 186 I CA 2.008 62.991 61.300 -0.527 0.000 1.317 186 I CB -0.758 36.837 38.000 -0.675 0.000 1.031 186 I HN 0.462 nan 8.210 nan 0.000 0.401 187 N N 0.450 119.107 118.700 -0.072 0.000 2.094 187 N HA -0.270 4.490 4.740 0.033 0.000 0.191 187 N C 1.916 177.444 175.510 0.030 0.000 1.023 187 N CA 1.231 54.275 53.050 -0.010 0.000 0.857 187 N CB -0.150 38.321 38.487 -0.027 0.000 1.013 187 N HN 0.337 nan 8.380 nan 0.000 0.426 188 K N 0.180 120.604 120.400 0.040 0.000 2.097 188 K HA -0.192 4.148 4.320 0.033 0.000 0.206 188 K C 1.893 178.553 176.600 0.099 0.000 1.049 188 K CA 1.041 57.358 56.287 0.050 0.000 0.933 188 K CB -0.131 32.399 32.500 0.051 0.000 0.717 188 K HN 0.265 nan 8.250 nan 0.000 0.442 189 W N 1.030 122.328 121.300 -0.004 0.000 2.354 189 W HA -0.206 4.475 4.660 0.035 0.000 0.315 189 W C 1.705 178.242 176.519 0.030 0.000 1.206 189 W CA 1.413 58.788 57.345 0.050 0.000 1.290 189 W CB -0.402 29.171 29.460 0.188 0.000 1.152 189 W HN -0.182 nan 8.180 nan 0.000 0.489 190 V N -0.048 119.993 119.914 0.213 0.000 2.343 190 V HA -0.322 3.818 4.120 0.033 0.000 0.247 190 V C 2.453 178.488 176.094 -0.098 0.000 1.051 190 V CA 2.144 64.466 62.300 0.037 0.000 1.036 190 V CB -1.450 30.457 31.823 0.140 0.000 0.654 190 V HN 0.313 nan 8.190 nan 0.000 0.451 191 S N 0.331 115.992 115.700 -0.064 0.000 2.370 191 S HA -0.273 4.217 4.470 0.033 0.000 0.226 191 S C 2.113 176.611 174.600 -0.169 0.000 1.033 191 S CA 2.031 60.172 58.200 -0.097 0.000 1.011 191 S CB -0.592 62.567 63.200 -0.069 0.000 0.852 191 S HN 0.716 nan 8.310 nan 0.000 0.457 192 N N 0.788 119.367 118.700 -0.201 0.000 2.120 192 N HA -0.097 4.663 4.740 0.033 0.000 0.188 192 N C 1.283 176.577 175.510 -0.360 0.000 1.024 192 N CA 1.118 54.011 53.050 -0.260 0.000 0.852 192 N CB -0.243 38.096 38.487 -0.246 0.000 1.003 192 N HN 0.242 nan 8.380 nan 0.000 0.424 193 K N 0.229 120.342 120.400 -0.480 0.000 2.504 193 K HA -0.000 4.340 4.320 0.033 0.000 0.195 193 K C 1.004 177.411 176.600 -0.323 0.000 1.036 193 K CA 0.814 56.805 56.287 -0.495 0.000 0.984 193 K CB -0.300 31.749 32.500 -0.751 0.000 0.788 193 K HN 0.485 nan 8.250 nan 0.000 0.488 194 T N -1.465 112.929 114.554 -0.266 0.000 3.296 194 T HA 0.158 4.528 4.350 0.033 0.000 0.285 194 T C -0.224 174.290 174.700 -0.310 0.000 1.014 194 T CA -0.453 61.562 62.100 -0.141 0.000 0.920 194 T CB 0.197 69.082 68.868 0.027 0.000 1.143 194 T HN -0.033 nan 8.240 nan 0.000 0.522 195 E N 0.999 120.899 120.200 -0.501 0.000 2.403 195 E HA -0.269 4.101 4.350 0.033 0.000 0.241 195 E C 1.312 177.754 176.600 -0.264 0.000 1.201 195 E CA 1.173 57.311 56.400 -0.438 0.000 0.721 195 E CB -2.111 27.212 29.700 -0.628 0.000 1.245 195 E HN 1.202 nan 8.360 nan 0.000 0.392 196 G N -0.121 108.549 108.800 -0.217 0.000 2.184 196 G HA2 -0.451 3.529 3.960 0.033 0.000 0.264 196 G HA3 -0.451 3.529 3.960 0.033 0.000 0.264 196 G C 1.085 175.862 174.900 -0.205 0.000 0.975 196 G CA 0.689 45.684 45.100 -0.176 0.000 0.642 196 G HN 0.375 nan 8.290 nan 0.000 0.536 197 R N -0.374 119.966 120.500 -0.267 0.000 2.148 197 R HA 0.130 4.490 4.340 0.033 0.000 0.223 197 R C 0.824 176.987 176.300 -0.229 0.000 1.088 197 R CA 0.818 56.632 56.100 -0.477 0.000 0.985 197 R CB 0.092 29.939 30.300 -0.755 0.000 0.880 197 R HN 0.429 nan 8.270 nan 0.000 0.451 198 I N 2.691 123.207 120.570 -0.091 0.000 2.359 198 I HA 0.141 4.331 4.170 0.033 0.000 0.284 198 I C 0.193 176.295 176.117 -0.025 0.000 1.018 198 I CA -0.364 60.930 61.300 -0.010 0.000 1.173 198 I CB 1.264 39.286 38.000 0.037 0.000 1.326 198 I HN -0.025 nan 8.210 nan 0.000 0.462 199 T N 1.001 115.545 114.554 -0.017 0.000 2.887 199 T HA 0.427 4.797 4.350 0.033 0.000 0.288 199 T C -0.047 174.644 174.700 -0.015 0.000 1.021 199 T CA -0.614 61.473 62.100 -0.021 0.000 1.000 199 T CB 2.281 71.132 68.868 -0.029 0.000 1.034 199 T HN 0.569 nan 8.240 nan 0.000 0.467 200 D N 0.692 121.079 120.400 -0.022 0.000 2.689 200 D HA -0.171 4.489 4.640 0.033 0.000 0.237 200 D C 1.617 177.889 176.300 -0.046 0.000 1.148 200 D CA 0.882 54.861 54.000 -0.035 0.000 0.656 200 D CB -1.198 39.581 40.800 -0.035 0.000 1.050 200 D HN 0.706 nan 8.370 nan 0.000 0.426 201 V N -2.285 117.612 119.914 -0.029 0.000 2.287 201 V HA -0.154 3.986 4.120 0.033 0.000 0.248 201 V C 1.490 177.542 176.094 -0.072 0.000 1.053 201 V CA 1.182 63.467 62.300 -0.025 0.000 1.027 201 V CB -0.270 31.565 31.823 0.020 0.000 0.646 201 V HN 0.337 nan 8.190 nan 0.000 0.447 202 I N 2.619 123.146 120.570 -0.072 0.000 2.337 202 I HA 0.343 4.533 4.170 0.033 0.000 0.291 202 I C -2.327 173.684 176.117 -0.178 0.000 1.046 202 I CA -1.969 59.263 61.300 -0.114 0.000 1.324 202 I CB 1.009 38.980 38.000 -0.048 0.000 1.409 202 I HN 0.138 nan 8.210 nan 0.000 0.494 203 P HA 0.002 nan 4.420 nan 0.000 0.267 203 P C 0.770 177.987 177.300 -0.138 0.000 1.200 203 P CA -0.038 62.901 63.100 -0.269 0.000 0.772 203 P CB 0.718 32.155 31.700 -0.439 0.000 0.855 204 S N 2.811 118.457 115.700 -0.089 0.000 2.365 204 S HA -0.294 4.196 4.470 0.033 0.000 0.225 204 S C 1.599 176.181 174.600 -0.030 0.000 1.039 204 S CA 1.870 60.042 58.200 -0.046 0.000 1.033 204 S CB -1.232 61.949 63.200 -0.032 0.000 0.887 204 S HN 0.587 nan 8.310 nan 0.000 0.447 205 E N 3.737 123.920 120.200 -0.029 0.000 2.065 205 E HA -0.002 4.368 4.350 0.033 0.000 0.201 205 E C 1.238 177.846 176.600 0.013 0.000 1.016 205 E CA 1.073 57.472 56.400 -0.001 0.000 0.818 205 E CB -1.290 28.417 29.700 0.012 0.000 0.749 205 E HN 0.787 nan 8.360 nan 0.000 0.453 206 A N 1.155 123.983 122.820 0.013 0.000 2.433 206 A HA 0.284 4.624 4.320 0.033 0.000 0.250 206 A C 0.468 178.055 177.584 0.004 0.000 1.113 206 A CA 0.352 52.419 52.037 0.050 0.000 0.794 206 A CB -0.322 18.747 19.000 0.116 0.000 1.067 206 A HN 0.501 nan 8.150 nan 0.000 0.510 207 I N 0.142 120.695 120.570 -0.028 0.000 8.319 207 I HA -0.272 3.918 4.170 0.033 0.000 0.126 207 I C 0.305 176.403 176.117 -0.031 0.000 1.836 207 I CA 0.918 62.166 61.300 -0.086 0.000 2.073 207 I CB -1.501 36.472 38.000 -0.045 0.000 3.775 207 I HN 1.086 nan 8.210 nan 0.000 0.180 208 N N 3.508 122.179 118.700 -0.048 0.000 3.343 208 N HA 0.464 5.224 4.740 0.033 0.000 0.330 208 N C 0.261 175.788 175.510 0.029 0.000 1.560 208 N CA -0.881 52.173 53.050 0.006 0.000 0.752 208 N CB 0.799 39.289 38.487 0.005 0.000 1.863 208 N HN 0.264 nan 8.380 nan 0.000 0.636 209 E N -0.086 120.140 120.200 0.043 0.000 2.265 209 E HA -0.024 4.346 4.350 0.033 0.000 0.196 209 E C 1.106 177.733 176.600 0.045 0.000 0.996 209 E CA 1.039 57.476 56.400 0.062 0.000 0.832 209 E CB -0.248 29.479 29.700 0.046 0.000 0.756 209 E HN 0.408 nan 8.360 nan 0.000 0.491 210 L N 0.360 121.587 121.223 0.007 0.000 2.592 210 L HA 0.121 4.481 4.340 0.033 0.000 0.227 210 L C 0.305 177.134 176.870 -0.068 0.000 1.127 210 L CA 0.509 55.339 54.840 -0.016 0.000 0.884 210 L CB -0.390 41.659 42.059 -0.016 0.000 1.065 210 L HN -0.143 nan 8.230 nan 0.000 0.457 211 T N 0.072 114.554 114.554 -0.119 0.000 2.799 211 T HA 0.206 4.576 4.350 0.033 0.000 0.296 211 T C 1.355 175.902 174.700 -0.255 0.000 0.947 211 T CA 0.258 62.177 62.100 -0.302 0.000 1.141 211 T CB 1.418 69.943 68.868 -0.570 0.000 0.891 211 T HN 0.107 nan 8.240 nan 0.000 0.533 212 V N 2.063 121.876 119.914 -0.169 0.000 3.307 212 V HA 0.540 4.680 4.120 0.033 0.000 0.244 212 V C 0.097 176.321 176.094 0.217 0.000 1.196 212 V CA -0.007 62.336 62.300 0.071 0.000 1.132 212 V CB 0.007 31.834 31.823 0.007 0.000 0.875 212 V HN 0.524 nan 8.190 nan 0.000 0.468 213 L N 0.766 122.000 121.223 0.019 0.000 2.455 213 L HA 0.824 5.184 4.340 0.033 0.000 0.264 213 L C -1.219 175.631 176.870 -0.034 0.000 0.968 213 L CA -0.621 54.288 54.840 0.116 0.000 0.827 213 L CB 2.330 44.493 42.059 0.173 0.000 1.317 213 L HN -0.048 nan 8.230 nan 0.000 0.407 214 V N 5.929 125.889 119.914 0.078 0.000 2.398 214 V HA 0.393 4.533 4.120 0.033 0.000 0.282 214 V C -0.336 175.841 176.094 0.138 0.000 1.014 214 V CA -0.454 61.885 62.300 0.066 0.000 0.838 214 V CB 1.471 33.346 31.823 0.088 0.000 1.018 214 V HN 0.724 nan 8.190 nan 0.000 0.432 215 L N 6.043 127.281 121.223 0.025 0.000 2.292 215 L HA 0.779 5.139 4.340 0.033 0.000 0.284 215 L C -0.946 175.932 176.870 0.014 0.000 1.065 215 L CA -0.034 54.792 54.840 -0.022 0.000 0.806 215 L CB 1.406 43.400 42.059 -0.110 0.000 1.175 215 L HN 0.431 nan 8.230 nan 0.000 0.431 216 V N 4.214 124.156 119.914 0.046 0.000 2.808 216 V HA 0.418 4.558 4.120 0.033 0.000 0.308 216 V C -0.903 175.270 176.094 0.131 0.000 1.099 216 V CA -0.766 61.610 62.300 0.127 0.000 0.920 216 V CB 2.246 34.241 31.823 0.286 0.000 1.014 216 V HN 0.867 nan 8.190 nan 0.000 0.425 217 N N 2.035 120.812 118.700 0.129 0.000 2.269 217 N HA 0.802 5.562 4.740 0.033 0.000 0.304 217 N C -0.781 174.823 175.510 0.156 0.000 1.072 217 N CA -0.174 52.949 53.050 0.121 0.000 0.802 217 N CB 2.338 40.851 38.487 0.042 0.000 1.348 217 N HN 0.829 nan 8.380 nan 0.000 0.484 218 T N 0.534 115.172 114.554 0.141 0.000 2.893 218 T HA 0.650 5.020 4.350 0.033 0.000 0.293 218 T C -0.473 174.285 174.700 0.097 0.000 1.027 218 T CA -0.734 61.433 62.100 0.111 0.000 0.988 218 T CB 0.604 69.496 68.868 0.039 0.000 1.043 218 T HN 0.380 nan 8.240 nan 0.000 0.461 219 I N 2.415 123.090 120.570 0.175 0.000 2.533 219 I HA 0.476 4.666 4.170 0.033 0.000 0.290 219 I C -1.645 174.724 176.117 0.419 0.000 1.056 219 I CA -1.122 60.322 61.300 0.239 0.000 1.057 219 I CB 2.376 40.481 38.000 0.176 0.000 1.240 219 I HN 0.785 nan 8.210 nan 0.000 0.423 220 Y N 7.297 127.765 120.300 0.281 0.000 2.406 220 Y HA 0.620 5.189 4.550 0.032 0.000 0.340 220 Y C -1.803 174.303 175.900 0.344 0.000 0.975 220 Y CA -0.996 57.267 58.100 0.271 0.000 1.056 220 Y CB 1.799 40.309 38.460 0.083 0.000 1.210 220 Y HN 0.457 nan 8.280 nan 0.000 0.448 221 F N 6.503 126.085 119.950 -0.613 0.000 2.578 221 F HA 0.684 5.231 4.527 0.033 0.000 0.311 221 F C -1.798 173.603 175.800 -0.664 0.000 1.094 221 F CA -0.720 57.029 58.000 -0.419 0.000 0.923 221 F CB 1.615 40.552 39.000 -0.105 0.000 1.230 221 F HN 0.466 nan 8.300 nan 0.000 0.450 222 K N 4.216 123.688 120.400 -1.546 0.000 2.619 222 K HA 0.621 4.961 4.320 0.033 0.000 0.251 222 K C -1.412 174.394 176.600 -1.324 0.000 0.987 222 K CA -0.622 54.890 56.287 -1.292 0.000 0.844 222 K CB 1.639 33.841 32.500 -0.498 0.000 1.237 222 K HN 1.002 nan 8.250 nan 0.000 0.447 223 G N 3.202 111.172 108.800 -1.383 0.000 2.642 223 G HA2 0.635 4.615 3.960 0.033 0.000 0.293 223 G HA3 0.635 4.615 3.960 0.033 0.000 0.293 223 G C -1.375 173.312 174.900 -0.354 0.000 1.341 223 G CA -0.789 43.852 45.100 -0.766 0.000 0.916 223 G HN 0.411 nan 8.290 nan 0.000 0.474 224 L N -0.342 120.862 121.223 -0.032 0.000 2.330 224 L HA 0.481 4.841 4.340 0.033 0.000 0.271 224 L C -0.459 176.573 176.870 0.269 0.000 1.013 224 L CA -0.926 53.937 54.840 0.038 0.000 0.816 224 L CB 2.076 44.171 42.059 0.059 0.000 1.287 224 L HN 0.592 nan 8.230 nan 0.000 0.435 225 W N 1.956 123.430 121.300 0.291 0.000 2.210 225 W HA 0.090 4.763 4.660 0.021 0.000 0.330 225 W C 1.415 177.996 176.519 0.104 0.000 1.334 225 W CA -0.260 57.186 57.345 0.170 0.000 1.227 225 W CB 0.785 30.348 29.460 0.171 0.000 1.178 225 W HN 0.587 nan 8.180 nan 0.000 0.560 226 K N 1.070 121.674 120.400 0.340 0.000 2.155 226 K HA -0.042 4.298 4.320 0.033 0.000 0.203 226 K C 0.305 176.957 176.600 0.087 0.000 1.052 226 K CA 0.871 57.262 56.287 0.174 0.000 0.948 226 K CB 0.082 32.654 32.500 0.119 0.000 0.728 226 K HN 0.257 nan 8.250 nan 0.000 0.448 227 S N 1.799 117.535 115.700 0.060 0.000 2.438 227 S HA 0.242 4.732 4.470 0.033 0.000 0.316 227 S C -1.091 173.472 174.600 -0.062 0.000 1.084 227 S CA -0.814 57.337 58.200 -0.082 0.000 1.107 227 S CB 1.238 64.306 63.200 -0.221 0.000 0.981 227 S HN 0.082 nan 8.310 nan 0.000 0.466 228 K N 2.405 122.788 120.400 -0.029 0.000 2.350 228 K HA 0.226 4.566 4.320 0.033 0.000 0.279 228 K C -0.722 175.838 176.600 -0.066 0.000 1.027 228 K CA 0.189 56.504 56.287 0.046 0.000 0.969 228 K CB 0.273 32.823 32.500 0.084 0.000 0.954 228 K HN 0.513 nan 8.250 nan 0.000 0.474 229 F N 1.186 121.158 119.950 0.037 0.000 2.303 229 F HA 0.051 4.597 4.527 0.032 0.000 0.368 229 F C 1.133 176.971 175.800 0.063 0.000 1.105 229 F CA -0.431 57.565 58.000 -0.007 0.000 1.153 229 F CB 1.150 40.118 39.000 -0.052 0.000 1.362 229 F HN 0.371 nan 8.300 nan 0.000 0.511 230 S N 5.321 121.151 115.700 0.216 0.000 2.525 230 S HA 0.080 4.570 4.470 0.033 0.000 0.285 230 S C -1.425 173.281 174.600 0.176 0.000 1.283 230 S CA -1.097 57.204 58.200 0.169 0.000 1.072 230 S CB 0.888 64.162 63.200 0.123 0.000 0.867 230 S HN 0.339 nan 8.310 nan 0.000 0.492 231 P HA -0.120 nan 4.420 nan 0.000 0.216 231 P C 1.032 178.392 177.300 0.099 0.000 1.150 231 P CA 1.185 64.353 63.100 0.115 0.000 0.837 231 P CB 0.045 31.800 31.700 0.091 0.000 0.786 232 E N -0.606 119.650 120.200 0.092 0.000 2.171 232 E HA -0.183 4.187 4.350 0.033 0.000 0.197 232 E C 1.143 177.792 176.600 0.082 0.000 0.997 232 E CA 0.896 57.341 56.400 0.075 0.000 0.810 232 E CB -0.623 29.116 29.700 0.066 0.000 0.738 232 E HN 0.386 nan 8.360 nan 0.000 0.467 233 N N 0.487 119.259 118.700 0.121 0.000 2.336 233 N HA -0.005 4.755 4.740 0.033 0.000 0.189 233 N C 0.001 175.597 175.510 0.143 0.000 1.113 233 N CA 0.326 53.459 53.050 0.139 0.000 0.858 233 N CB 0.475 39.115 38.487 0.255 0.000 0.970 233 N HN -0.029 nan 8.380 nan 0.000 0.471 234 T N 2.644 117.273 114.554 0.125 0.000 2.901 234 T HA 0.268 4.638 4.350 0.033 0.000 0.301 234 T C 0.719 175.464 174.700 0.075 0.000 1.012 234 T CA -0.136 62.028 62.100 0.106 0.000 1.135 234 T CB 0.838 69.752 68.868 0.077 0.000 0.936 234 T HN 0.276 nan 8.240 nan 0.000 0.539 235 R N 0.901 121.447 120.500 0.077 0.000 2.734 235 R HA 0.492 4.852 4.340 0.033 0.000 0.271 235 R C -1.486 174.846 176.300 0.054 0.000 1.021 235 R CA -1.265 54.867 56.100 0.053 0.000 0.893 235 R CB 0.947 31.269 30.300 0.037 0.000 1.244 235 R HN 0.207 nan 8.270 nan 0.000 0.464 236 K N 1.707 122.129 120.400 0.037 0.000 2.298 236 K HA 0.307 4.647 4.320 0.033 0.000 0.280 236 K C -0.441 176.179 176.600 0.033 0.000 1.032 236 K CA 0.038 56.345 56.287 0.033 0.000 0.958 236 K CB 0.793 33.305 32.500 0.020 0.000 0.978 236 K HN 0.588 nan 8.250 nan 0.000 0.472 237 E N 1.549 121.772 120.200 0.038 0.000 2.413 237 E HA 0.325 4.695 4.350 0.033 0.000 0.277 237 E C -0.641 175.969 176.600 0.016 0.000 0.958 237 E CA -0.837 55.582 56.400 0.032 0.000 0.779 237 E CB 1.904 31.635 29.700 0.051 0.000 1.278 237 E HN 0.240 nan 8.360 nan 0.000 0.456 238 L N 1.980 123.183 121.223 -0.032 0.000 2.380 238 L HA 0.326 4.686 4.340 0.033 0.000 0.273 238 L C -0.498 176.244 176.870 -0.213 0.000 1.138 238 L CA -0.159 54.572 54.840 -0.181 0.000 0.832 238 L CB 0.237 42.090 42.059 -0.343 0.000 1.124 238 L HN 0.403 nan 8.230 nan 0.000 0.454 239 F N 2.937 122.657 119.950 -0.384 0.000 2.458 239 F HA 0.388 4.936 4.527 0.035 0.000 0.336 239 F C -0.789 174.760 175.800 -0.417 0.000 1.114 239 F CA -0.653 57.197 58.000 -0.250 0.000 0.987 239 F CB 0.915 39.855 39.000 -0.100 0.000 1.130 239 F HN 0.171 nan 8.300 nan 0.000 0.458 240 Y N 5.408 125.353 120.300 -0.592 0.000 2.518 240 Y HA 0.356 4.928 4.550 0.036 0.000 0.344 240 Y C 0.273 175.920 175.900 -0.422 0.000 0.982 240 Y CA -0.771 57.105 58.100 -0.373 0.000 1.234 240 Y CB 0.425 38.722 38.460 -0.271 0.000 1.114 240 Y HN 0.456 nan 8.280 nan 0.000 0.515 241 K N 0.941 121.304 120.400 -0.061 0.000 2.187 241 K HA 0.285 4.625 4.320 0.033 0.000 0.247 241 K C 1.219 177.832 176.600 0.021 0.000 1.019 241 K CA 0.399 56.715 56.287 0.048 0.000 0.893 241 K CB 0.506 33.076 32.500 0.117 0.000 1.025 241 K HN 0.714 nan 8.250 nan 0.000 0.500 242 A N 1.454 124.295 122.820 0.035 0.000 1.972 242 A HA -0.173 4.167 4.320 0.033 0.000 0.219 242 A C 1.195 178.788 177.584 0.016 0.000 1.169 242 A CA 1.999 54.046 52.037 0.018 0.000 0.635 242 A CB -0.774 18.238 19.000 0.020 0.000 0.810 242 A HN 0.894 nan 8.150 nan 0.000 0.446 243 D N -1.411 119.004 120.400 0.024 0.000 2.358 243 D HA 0.250 4.910 4.640 0.033 0.000 0.241 243 D C 1.116 177.429 176.300 0.022 0.000 1.094 243 D CA 0.808 54.819 54.000 0.019 0.000 0.907 243 D CB -1.018 39.794 40.800 0.020 0.000 0.893 243 D HN 0.756 nan 8.370 nan 0.000 0.528 244 G N -0.834 107.982 108.800 0.028 0.000 2.155 244 G HA2 -0.285 3.695 3.960 0.033 0.000 0.257 244 G HA3 -0.285 3.695 3.960 0.033 0.000 0.257 244 G C 0.105 175.042 174.900 0.062 0.000 0.983 244 G CA 0.372 45.494 45.100 0.037 0.000 0.676 244 G HN 0.418 nan 8.290 nan 0.000 0.528 245 E N -0.164 120.071 120.200 0.058 0.000 2.285 245 E HA 0.768 5.138 4.350 0.033 0.000 0.254 245 E C 0.453 177.071 176.600 0.030 0.000 1.011 245 E CA 0.103 56.534 56.400 0.051 0.000 0.873 245 E CB 1.674 31.390 29.700 0.028 0.000 1.229 245 E HN 0.633 nan 8.360 nan 0.000 0.422 246 S N -0.978 114.701 115.700 -0.035 0.000 2.671 246 S HA 0.807 5.297 4.470 0.033 0.000 0.299 246 S C -0.230 174.304 174.600 -0.110 0.000 1.116 246 S CA -0.690 57.391 58.200 -0.199 0.000 0.912 246 S CB 1.022 63.965 63.200 -0.429 0.000 1.130 246 S HN 0.750 nan 8.310 nan 0.000 0.501 247 c N -0.535 117.999 118.600 -0.110 0.000 3.288 247 c HA 0.845 5.435 4.570 0.033 0.000 0.318 247 c C -0.111 173.961 174.090 -0.029 0.000 1.356 247 c CA -0.746 55.561 56.329 -0.036 0.000 1.359 247 c CB 0.778 43.295 42.510 0.012 0.000 1.688 247 c HN 0.951 nan 8.230 nan 0.000 0.467 248 S N 0.928 116.617 115.700 -0.019 0.000 2.474 248 S HA 0.674 5.164 4.470 0.033 0.000 0.276 248 S C 0.138 174.739 174.600 0.002 0.000 1.227 248 S CA 0.420 58.615 58.200 -0.009 0.000 1.050 248 S CB -0.118 63.078 63.200 -0.007 0.000 0.939 248 S HN 1.762 nan 8.310 nan 0.000 0.490 249 A N 4.011 126.845 122.820 0.022 0.000 2.386 249 A HA 0.760 5.100 4.320 0.033 0.000 0.308 249 A C -0.202 177.406 177.584 0.039 0.000 1.128 249 A CA -0.714 51.333 52.037 0.017 0.000 0.789 249 A CB 1.442 20.453 19.000 0.019 0.000 1.325 249 A HN 0.673 nan 8.150 nan 0.000 0.437 250 S N 1.850 117.574 115.700 0.040 0.000 2.411 250 S HA 0.401 4.891 4.470 0.033 0.000 0.294 250 S C -0.255 174.386 174.600 0.067 0.000 1.115 250 S CA -0.237 57.992 58.200 0.048 0.000 1.071 250 S CB -0.077 63.144 63.200 0.036 0.000 0.967 250 S HN 0.532 nan 8.310 nan 0.000 0.488 251 M N 4.286 123.938 119.600 0.088 0.000 2.129 251 M HA 0.378 4.878 4.480 0.033 0.000 0.348 251 M C -0.263 176.102 176.300 0.108 0.000 1.116 251 M CA 0.016 55.390 55.300 0.123 0.000 1.022 251 M CB 1.022 33.737 32.600 0.192 0.000 1.599 251 M HN 0.474 nan 8.290 nan 0.000 0.449 252 M N 3.216 122.812 119.600 -0.007 0.000 2.250 252 M HA 0.313 4.813 4.480 0.033 0.000 0.344 252 M C -0.885 175.515 176.300 0.166 0.000 1.150 252 M CA -0.256 54.982 55.300 -0.104 0.000 1.147 252 M CB 0.931 33.066 32.600 -0.775 0.000 1.498 252 M HN 0.553 nan 8.290 nan 0.000 0.461 253 Y N 2.326 122.774 120.300 0.245 0.000 2.492 253 Y HA 0.519 5.085 4.550 0.027 0.000 0.346 253 Y C -1.134 174.865 175.900 0.166 0.000 0.997 253 Y CA -0.522 57.684 58.100 0.177 0.000 1.025 253 Y CB 1.627 40.111 38.460 0.039 0.000 1.263 253 Y HN 0.760 nan 8.280 nan 0.000 0.454 254 Q N 3.214 122.497 119.800 -0.861 0.000 2.702 254 Q HA 0.484 4.844 4.340 0.033 0.000 0.289 254 Q C -2.254 173.285 176.000 -0.770 0.000 0.923 254 Q CA -1.100 54.257 55.803 -0.744 0.000 0.787 254 Q CB 2.302 30.640 28.738 -0.666 0.000 1.476 254 Q HN 0.752 nan 8.270 nan 0.000 0.402 255 E N 0.094 120.029 120.200 -0.441 0.000 2.234 255 E HA 0.766 5.136 4.350 0.033 0.000 0.266 255 E C -0.768 175.744 176.600 -0.146 0.000 0.877 255 E CA -0.774 55.469 56.400 -0.261 0.000 0.758 255 E CB 2.163 31.755 29.700 -0.180 0.000 1.170 255 E HN 0.868 nan 8.360 nan 0.000 0.415 256 G N 1.850 110.615 108.800 -0.058 0.000 2.427 256 G HA2 0.251 4.231 3.960 0.033 0.000 0.306 256 G HA3 0.251 4.231 3.960 0.033 0.000 0.306 256 G C -1.490 173.268 174.900 -0.237 0.000 1.280 256 G CA -0.928 44.054 45.100 -0.198 0.000 0.837 256 G HN 0.239 nan 8.290 nan 0.000 0.482 257 K N 0.085 120.193 120.400 -0.486 0.000 2.240 257 K HA 0.641 4.981 4.320 0.033 0.000 0.271 257 K C -1.468 174.736 176.600 -0.660 0.000 1.018 257 K CA -0.142 55.919 56.287 -0.377 0.000 0.874 257 K CB 1.159 33.509 32.500 -0.251 0.000 1.098 257 K HN 0.272 nan 8.250 nan 0.000 0.458 258 F N 0.541 120.410 119.950 -0.135 0.000 2.599 258 F HA 0.414 4.960 4.527 0.031 0.000 0.311 258 F C 0.398 176.169 175.800 -0.048 0.000 1.076 258 F CA -1.219 56.710 58.000 -0.119 0.000 0.937 258 F CB 1.271 40.161 39.000 -0.184 0.000 1.282 258 F HN 0.119 nan 8.300 nan 0.000 0.460 259 R N 1.665 122.265 120.500 0.166 0.000 2.370 259 R HA 0.244 4.604 4.340 0.033 0.000 0.309 259 R C -1.363 175.037 176.300 0.167 0.000 1.059 259 R CA -0.001 56.172 56.100 0.121 0.000 0.981 259 R CB 0.446 30.792 30.300 0.077 0.000 0.972 259 R HN 0.766 nan 8.270 nan 0.000 0.437 260 Y N 1.693 121.991 120.300 -0.004 0.000 2.644 260 Y HA 0.539 5.109 4.550 0.034 0.000 0.338 260 Y C -1.343 174.540 175.900 -0.029 0.000 1.119 260 Y CA -1.283 56.798 58.100 -0.032 0.000 1.060 260 Y CB 1.936 40.376 38.460 -0.034 0.000 1.294 260 Y HN 0.545 nan 8.280 nan 0.000 0.472 261 R N 2.906 122.785 120.500 -1.035 0.000 2.808 261 R HA 0.318 4.678 4.340 0.033 0.000 0.254 261 R C -2.359 173.388 176.300 -0.921 0.000 1.145 261 R CA -0.643 55.019 56.100 -0.730 0.000 1.066 261 R CB 1.061 31.154 30.300 -0.346 0.000 1.268 261 R HN 0.835 nan 8.270 nan 0.000 0.447 262 R N 4.335 124.498 120.500 -0.562 0.000 2.202 262 R HA 0.451 4.811 4.340 0.033 0.000 0.334 262 R C 0.090 176.204 176.300 -0.309 0.000 1.036 262 R CA -0.301 55.585 56.100 -0.357 0.000 0.878 262 R CB 0.542 30.785 30.300 -0.096 0.000 1.067 262 R HN 0.550 nan 8.270 nan 0.000 0.457 263 V N 1.631 121.293 119.914 -0.420 0.000 3.602 263 V HA 0.704 4.844 4.120 0.033 0.000 0.285 263 V C 0.441 176.400 176.094 -0.224 0.000 1.187 263 V CA -0.812 61.240 62.300 -0.414 0.000 0.940 263 V CB 0.515 31.745 31.823 -0.989 0.000 1.250 263 V HN 0.834 nan 8.190 nan 0.000 0.455 264 A N -0.491 122.278 122.820 -0.085 0.000 2.609 264 A HA 0.143 4.483 4.320 0.033 0.000 0.232 264 A C 0.758 178.336 177.584 -0.010 0.000 1.041 264 A CA 0.960 53.014 52.037 0.029 0.000 0.753 264 A CB -1.221 17.884 19.000 0.175 0.000 0.966 264 A HN 1.268 nan 8.150 nan 0.000 0.510 265 E N 0.232 120.436 120.200 0.006 0.000 2.294 265 E HA -0.251 4.119 4.350 0.033 0.000 0.228 265 E C 1.016 177.599 176.600 -0.029 0.000 1.253 265 E CA 1.023 57.422 56.400 -0.002 0.000 0.716 265 E CB -1.942 27.771 29.700 0.022 0.000 1.184 265 E HN 2.195 nan 8.360 nan 0.000 0.374 266 G N -0.123 108.647 108.800 -0.050 0.000 2.187 266 G HA2 -0.378 3.602 3.960 0.033 0.000 0.261 266 G HA3 -0.378 3.602 3.960 0.033 0.000 0.261 266 G C 0.340 175.187 174.900 -0.088 0.000 1.000 266 G CA 0.736 45.801 45.100 -0.059 0.000 0.718 266 G HN 0.337 nan 8.290 nan 0.000 0.519 267 T N 0.965 115.434 114.554 -0.142 0.000 2.851 267 T HA 0.449 4.819 4.350 0.033 0.000 0.298 267 T C 0.479 175.023 174.700 -0.260 0.000 0.977 267 T CA 0.164 62.151 62.100 -0.188 0.000 1.126 267 T CB 1.051 69.768 68.868 -0.252 0.000 0.916 267 T HN 0.417 nan 8.240 nan 0.000 0.529 268 Q N 1.929 121.646 119.800 -0.138 0.000 2.257 268 Q HA 0.544 4.904 4.340 0.033 0.000 0.255 268 Q C -0.953 175.027 176.000 -0.033 0.000 0.920 268 Q CA -0.679 55.086 55.803 -0.064 0.000 0.927 268 Q CB 1.750 30.641 28.738 0.256 0.000 1.229 268 Q HN 0.363 nan 8.270 nan 0.000 0.433 269 V N 4.129 123.891 119.914 -0.254 0.000 2.409 269 V HA 0.457 4.597 4.120 0.033 0.000 0.291 269 V C -0.922 175.104 176.094 -0.113 0.000 1.020 269 V CA -0.720 61.491 62.300 -0.149 0.000 0.848 269 V CB 1.558 33.233 31.823 -0.247 0.000 0.990 269 V HN 0.556 nan 8.190 nan 0.000 0.430 270 L N 4.211 125.407 121.223 -0.044 0.000 2.386 270 L HA 0.657 5.017 4.340 0.033 0.000 0.271 270 L C -0.505 176.297 176.870 -0.114 0.000 0.993 270 L CA -0.038 54.717 54.840 -0.142 0.000 0.819 270 L CB 2.067 43.752 42.059 -0.622 0.000 1.294 270 L HN 0.746 nan 8.230 nan 0.000 0.414 271 E N 4.905 125.074 120.200 -0.050 0.000 2.145 271 E HA 0.444 4.814 4.350 0.033 0.000 0.270 271 E C -1.621 174.992 176.600 0.022 0.000 0.906 271 E CA -0.559 55.847 56.400 0.011 0.000 0.761 271 E CB 1.068 30.802 29.700 0.057 0.000 1.116 271 E HN 0.656 nan 8.360 nan 0.000 0.408 272 L N 7.476 128.693 121.223 -0.010 0.000 2.301 272 L HA 0.438 4.798 4.340 0.033 0.000 0.278 272 L C -2.138 174.741 176.870 0.014 0.000 1.022 272 L CA -2.055 52.774 54.840 -0.019 0.000 0.854 272 L CB 1.099 42.995 42.059 -0.272 0.000 1.226 272 L HN 0.374 nan 8.230 nan 0.000 0.429 273 P HA 0.223 nan 4.420 nan 0.000 0.278 273 P C -0.890 176.422 177.300 0.021 0.000 1.238 273 P CA -0.137 62.995 63.100 0.054 0.000 0.794 273 P CB 0.903 32.663 31.700 0.100 0.000 0.955 274 F N 0.540 120.674 119.950 0.306 0.000 2.408 274 F HA 0.353 4.898 4.527 0.029 0.000 0.325 274 F C 1.488 177.398 175.800 0.183 0.000 1.082 274 F CA -0.825 57.331 58.000 0.259 0.000 1.032 274 F CB 0.767 39.904 39.000 0.229 0.000 1.259 274 F HN 0.055 nan 8.300 nan 0.000 0.503 275 K N 1.026 121.632 120.400 0.342 0.000 2.466 275 K HA 0.275 4.615 4.320 0.033 0.000 0.278 275 K C 0.729 177.445 176.600 0.194 0.000 1.048 275 K CA 1.069 57.481 56.287 0.207 0.000 1.088 275 K CB -0.224 32.368 32.500 0.152 0.000 0.884 275 K HN 0.934 nan 8.250 nan 0.000 0.478 276 G N 2.683 111.575 108.800 0.153 0.000 2.380 276 G HA2 -0.231 3.749 3.960 0.033 0.000 0.197 276 G HA3 -0.231 3.749 3.960 0.033 0.000 0.197 276 G C 0.236 175.217 174.900 0.136 0.000 1.001 276 G CA 0.041 45.222 45.100 0.136 0.000 0.668 276 G HN 0.777 nan 8.290 nan 0.000 0.483 277 D N -0.209 120.289 120.400 0.163 0.000 2.462 277 D HA -0.195 4.465 4.640 0.033 0.000 0.172 277 D C 0.917 177.310 176.300 0.155 0.000 1.218 277 D CA 1.829 55.915 54.000 0.143 0.000 1.131 277 D CB -1.271 39.586 40.800 0.095 0.000 1.155 277 D HN 0.463 nan 8.370 nan 0.000 0.443 278 D N 0.471 120.966 120.400 0.157 0.000 2.178 278 D HA 0.051 4.711 4.640 0.033 0.000 0.201 278 D C 1.082 177.486 176.300 0.174 0.000 0.980 278 D CA 0.964 55.051 54.000 0.145 0.000 0.842 278 D CB 0.259 41.137 40.800 0.130 0.000 0.948 278 D HN 0.458 nan 8.370 nan 0.000 0.472 279 I N -0.663 120.058 120.570 0.251 0.000 2.646 279 I HA 0.299 4.489 4.170 0.033 0.000 0.299 279 I C 0.167 176.563 176.117 0.464 0.000 1.036 279 I CA -0.551 60.927 61.300 0.297 0.000 1.074 279 I CB 2.388 40.550 38.000 0.270 0.000 1.258 279 I HN -0.159 nan 8.210 nan 0.000 0.430 280 T N 1.925 116.729 114.554 0.416 0.000 2.778 280 T HA 0.642 5.012 4.350 0.033 0.000 0.293 280 T C -0.857 174.095 174.700 0.419 0.000 1.144 280 T CA -0.895 61.420 62.100 0.358 0.000 1.010 280 T CB 2.170 71.156 68.868 0.197 0.000 1.325 280 T HN 0.586 nan 8.240 nan 0.000 0.515 281 M N 2.037 121.805 119.600 0.280 0.000 2.259 281 M HA 0.666 5.166 4.480 0.033 0.000 0.304 281 M C -2.007 174.450 176.300 0.262 0.000 1.019 281 M CA -0.744 54.781 55.300 0.375 0.000 0.922 281 M CB 1.615 34.505 32.600 0.484 0.000 1.600 281 M HN 0.599 nan 8.290 nan 0.000 0.433 282 V N 6.300 126.403 119.914 0.314 0.000 2.459 282 V HA 0.544 4.684 4.120 0.033 0.000 0.295 282 V C -0.499 175.818 176.094 0.373 0.000 1.029 282 V CA -0.649 61.790 62.300 0.232 0.000 0.874 282 V CB 1.715 33.599 31.823 0.102 0.000 0.985 282 V HN 0.804 nan 8.190 nan 0.000 0.438 283 L N 5.641 127.019 121.223 0.258 0.000 2.346 283 L HA 0.647 5.007 4.340 0.033 0.000 0.276 283 L C -0.744 176.344 176.870 0.364 0.000 1.006 283 L CA -0.528 54.536 54.840 0.374 0.000 0.817 283 L CB 2.193 44.394 42.059 0.236 0.000 1.272 283 L HN 0.454 nan 8.230 nan 0.000 0.421 284 I N 4.330 125.179 120.570 0.465 0.000 2.382 284 I HA 0.306 4.496 4.170 0.033 0.000 0.285 284 I C -0.994 175.328 176.117 0.341 0.000 1.007 284 I CA -0.497 61.019 61.300 0.360 0.000 1.142 284 I CB 2.040 40.300 38.000 0.432 0.000 1.289 284 I HN 0.342 nan 8.210 nan 0.000 0.453 285 L N 10.446 131.797 121.223 0.213 0.000 2.345 285 L HA 0.621 4.981 4.340 0.033 0.000 0.274 285 L C -2.434 174.436 176.870 0.000 0.000 0.999 285 L CA -1.745 53.144 54.840 0.081 0.000 0.849 285 L CB 1.358 43.286 42.059 -0.219 0.000 1.220 285 L HN 0.237 nan 8.230 nan 0.000 0.422 286 P HA 0.153 nan 4.420 nan 0.000 0.274 286 P C -1.188 176.087 177.300 -0.041 0.000 1.237 286 P CA -0.560 62.541 63.100 0.002 0.000 0.793 286 P CB 0.596 32.322 31.700 0.044 0.000 0.977 287 K N 2.718 123.090 120.400 -0.047 0.000 2.414 287 K HA 0.097 4.437 4.320 0.033 0.000 0.272 287 K C -1.578 174.984 176.600 -0.064 0.000 0.993 287 K CA -1.142 55.109 56.287 -0.061 0.000 0.964 287 K CB -0.486 31.985 32.500 -0.048 0.000 0.925 287 K HN 0.241 nan 8.250 nan 0.000 0.487 288 P HA -0.231 nan 4.420 nan 0.000 0.218 288 P C 0.287 177.536 177.300 -0.085 0.000 1.146 288 P CA 1.522 64.560 63.100 -0.103 0.000 0.820 288 P CB 0.229 31.847 31.700 -0.137 0.000 0.778 289 E N 0.548 120.708 120.200 -0.067 0.000 2.015 289 E HA -0.080 4.290 4.350 0.033 0.000 0.191 289 E C 1.169 177.747 176.600 -0.036 0.000 0.991 289 E CA 0.907 57.276 56.400 -0.052 0.000 0.802 289 E CB -0.738 28.937 29.700 -0.042 0.000 0.759 289 E HN 0.256 nan 8.360 nan 0.000 0.447 290 K N 1.645 122.030 120.400 -0.024 0.000 2.412 290 K HA 0.086 4.426 4.320 0.033 0.000 0.281 290 K C -0.328 176.271 176.600 -0.000 0.000 1.027 290 K CA -0.099 56.185 56.287 -0.006 0.000 0.989 290 K CB 0.548 33.053 32.500 0.008 0.000 0.935 290 K HN 0.121 nan 8.250 nan 0.000 0.475 291 S N 3.882 119.586 115.700 0.005 0.000 2.580 291 S HA 0.039 4.530 4.470 0.033 0.000 0.274 291 S C 1.000 175.621 174.600 0.035 0.000 1.329 291 S CA -0.842 57.364 58.200 0.011 0.000 1.036 291 S CB 1.190 64.392 63.200 0.004 0.000 0.919 291 S HN 0.701 nan 8.310 nan 0.000 0.515 292 L N 2.739 123.989 121.223 0.046 0.000 2.191 292 L HA 0.115 4.475 4.340 0.033 0.000 0.212 292 L C 2.478 179.394 176.870 0.077 0.000 1.103 292 L CA 2.069 56.956 54.840 0.079 0.000 0.769 292 L CB -1.513 40.601 42.059 0.092 0.000 0.908 292 L HN 0.960 nan 8.230 nan 0.000 0.438 293 A N -0.656 122.190 122.820 0.043 0.000 1.978 293 A HA -0.262 4.078 4.320 0.033 0.000 0.220 293 A C 2.344 179.944 177.584 0.028 0.000 1.170 293 A CA 1.909 53.960 52.037 0.023 0.000 0.636 293 A CB -0.497 18.502 19.000 -0.003 0.000 0.810 293 A HN 0.430 nan 8.150 nan 0.000 0.448 294 K N -0.306 120.116 120.400 0.036 0.000 2.031 294 K HA -0.013 4.327 4.320 0.033 0.000 0.205 294 K C 1.682 178.324 176.600 0.070 0.000 1.049 294 K CA 1.619 57.929 56.287 0.039 0.000 0.939 294 K CB -0.563 31.959 32.500 0.036 0.000 0.717 294 K HN 0.163 nan 8.250 nan 0.000 0.438 295 V N 1.529 121.508 119.914 0.109 0.000 2.407 295 V HA -0.241 3.899 4.120 0.033 0.000 0.248 295 V C 1.974 178.164 176.094 0.161 0.000 1.055 295 V CA 2.114 64.519 62.300 0.174 0.000 1.049 295 V CB -0.489 31.465 31.823 0.220 0.000 0.662 295 V HN 0.398 nan 8.190 nan 0.000 0.455 296 E N 0.029 120.315 120.200 0.143 0.000 2.072 296 E HA -0.219 4.151 4.350 0.033 0.000 0.191 296 E C 2.273 178.914 176.600 0.068 0.000 0.985 296 E CA 1.131 57.623 56.400 0.153 0.000 0.801 296 E CB -0.179 29.613 29.700 0.153 0.000 0.750 296 E HN 0.563 nan 8.360 nan 0.000 0.452 297 K N 0.695 121.108 120.400 0.022 0.000 2.209 297 K HA -0.150 4.190 4.320 0.033 0.000 0.204 297 K C 1.694 178.280 176.600 -0.024 0.000 1.048 297 K CA 1.158 57.430 56.287 -0.025 0.000 0.940 297 K CB 0.040 32.520 32.500 -0.033 0.000 0.729 297 K HN 0.182 nan 8.250 nan 0.000 0.451 298 E N 0.345 120.547 120.200 0.003 0.000 2.452 298 E HA -0.024 4.346 4.350 0.033 0.000 0.197 298 E C -0.109 176.447 176.600 -0.073 0.000 1.022 298 E CA -0.190 56.198 56.400 -0.020 0.000 0.890 298 E CB 0.242 29.955 29.700 0.023 0.000 0.918 298 E HN -0.003 nan 8.360 nan 0.000 0.496 299 L N 2.711 123.908 121.223 -0.044 0.000 2.505 299 L HA 0.037 4.397 4.340 0.033 0.000 0.275 299 L C -0.193 176.612 176.870 -0.108 0.000 1.264 299 L CA 0.861 55.638 54.840 -0.105 0.000 1.148 299 L CB -0.635 41.447 42.059 0.039 0.000 1.377 299 L HN -0.169 nan 8.230 nan 0.000 0.442 300 T N 5.425 119.872 114.554 -0.177 0.000 2.882 300 T HA 0.233 4.603 4.350 0.033 0.000 0.287 300 T C -1.540 173.069 174.700 -0.153 0.000 1.014 300 T CA -0.961 61.055 62.100 -0.140 0.000 1.049 300 T CB 1.457 70.240 68.868 -0.141 0.000 1.001 300 T HN 0.319 nan 8.240 nan 0.000 0.525 301 P HA -0.106 nan 4.420 nan 0.000 0.216 301 P C 1.490 178.717 177.300 -0.122 0.000 1.153 301 P CA 0.845 63.889 63.100 -0.092 0.000 0.848 301 P CB 0.177 31.843 31.700 -0.058 0.000 0.787 302 E N -0.502 119.628 120.200 -0.116 0.000 2.208 302 E HA -0.068 4.302 4.350 0.033 0.000 0.193 302 E C 2.020 178.509 176.600 -0.184 0.000 0.988 302 E CA 0.911 57.242 56.400 -0.114 0.000 0.828 302 E CB -1.443 28.210 29.700 -0.077 0.000 0.763 302 E HN 0.122 nan 8.360 nan 0.000 0.478 303 V N 1.812 121.559 119.914 -0.278 0.000 2.283 303 V HA -0.221 3.919 4.120 0.033 0.000 0.243 303 V C 2.492 178.171 176.094 -0.692 0.000 1.039 303 V CA 1.550 63.551 62.300 -0.498 0.000 1.016 303 V CB -0.625 30.840 31.823 -0.596 0.000 0.650 303 V HN 0.173 nan 8.190 nan 0.000 0.449 304 L N 0.026 120.911 121.223 -0.564 0.000 2.043 304 L HA -0.223 4.137 4.340 0.033 0.000 0.212 304 L C 2.414 179.159 176.870 -0.208 0.000 1.075 304 L CA 2.008 56.602 54.840 -0.410 0.000 0.752 304 L CB -0.872 41.033 42.059 -0.256 0.000 0.891 304 L HN 0.271 nan 8.230 nan 0.000 0.432 305 Q N -0.127 119.572 119.800 -0.169 0.000 2.084 305 Q HA -0.251 4.109 4.340 0.033 0.000 0.202 305 Q C 2.192 178.179 176.000 -0.023 0.000 0.978 305 Q CA 1.932 57.688 55.803 -0.078 0.000 0.844 305 Q CB -0.207 28.494 28.738 -0.061 0.000 0.898 305 Q HN 0.776 nan 8.270 nan 0.000 0.426 306 E N -0.742 119.426 120.200 -0.054 0.000 2.038 306 E HA -0.199 4.171 4.350 0.033 0.000 0.195 306 E C 1.620 178.318 176.600 0.164 0.000 1.000 306 E CA 1.166 57.585 56.400 0.032 0.000 0.803 306 E CB -0.137 29.566 29.700 0.005 0.000 0.750 306 E HN 0.304 nan 8.360 nan 0.000 0.448 307 W N 1.148 122.420 121.300 -0.046 0.000 2.318 307 W HA -0.193 4.487 4.660 0.033 0.000 0.313 307 W C 2.356 178.834 176.519 -0.068 0.000 1.221 307 W CA 0.781 58.088 57.345 -0.063 0.000 1.266 307 W CB -1.226 28.188 29.460 -0.078 0.000 1.150 307 W HN 0.208 nan 8.180 nan 0.000 0.496 308 L N -0.153 121.169 121.223 0.164 0.000 2.012 308 L HA -0.245 4.115 4.340 0.033 0.000 0.210 308 L C 2.018 178.928 176.870 0.068 0.000 1.073 308 L CA 1.673 56.555 54.840 0.070 0.000 0.748 308 L CB -1.043 41.027 42.059 0.018 0.000 0.891 308 L HN -0.063 nan 8.230 nan 0.000 0.431 309 D N 0.029 120.475 120.400 0.077 0.000 2.264 309 D HA -0.147 4.513 4.640 0.033 0.000 0.208 309 D C 1.659 177.994 176.300 0.058 0.000 0.966 309 D CA 0.984 55.025 54.000 0.069 0.000 0.864 309 D CB -0.024 40.819 40.800 0.071 0.000 0.933 309 D HN 0.537 nan 8.370 nan 0.000 0.499 310 E N 0.150 120.388 120.200 0.062 0.000 2.489 310 E HA 0.093 4.463 4.350 0.033 0.000 0.193 310 E C 0.475 177.078 176.600 0.004 0.000 1.057 310 E CA -0.183 56.239 56.400 0.035 0.000 0.866 310 E CB 0.457 30.181 29.700 0.040 0.000 0.916 310 E HN 0.255 nan 8.360 nan 0.000 0.500 311 L N 2.027 123.256 121.223 0.009 0.000 2.455 311 L HA 0.115 4.475 4.340 0.033 0.000 0.272 311 L C 0.185 177.069 176.870 0.023 0.000 1.174 311 L CA 0.252 55.091 54.840 -0.000 0.000 0.869 311 L CB 0.278 42.346 42.059 0.015 0.000 1.130 311 L HN -0.022 nan 8.230 nan 0.000 0.474 312 E N 2.321 122.544 120.200 0.037 0.000 2.272 312 E HA 0.178 4.548 4.350 0.033 0.000 0.269 312 E C -0.821 175.821 176.600 0.070 0.000 0.877 312 E CA -0.661 55.767 56.400 0.047 0.000 0.755 312 E CB 1.536 31.261 29.700 0.042 0.000 1.192 312 E HN 0.433 nan 8.360 nan 0.000 0.422 313 E N 3.971 124.197 120.200 0.044 0.000 2.465 313 E HA 0.128 4.498 4.350 0.033 0.000 0.260 313 E C -0.796 175.824 176.600 0.033 0.000 0.980 313 E CA 0.350 56.768 56.400 0.030 0.000 0.927 313 E CB 0.470 30.165 29.700 -0.009 0.000 0.934 313 E HN 0.503 nan 8.360 nan 0.000 0.459 314 M N 4.739 124.360 119.600 0.036 0.000 2.471 314 M HA 0.215 4.715 4.480 0.033 0.000 0.284 314 M C -1.506 174.779 176.300 -0.024 0.000 1.203 314 M CA -0.822 54.486 55.300 0.014 0.000 0.915 314 M CB 1.854 34.487 32.600 0.056 0.000 1.734 314 M HN 0.482 nan 8.290 nan 0.000 0.485 315 M N 5.157 124.728 119.600 -0.049 0.000 2.184 315 M HA 0.373 4.873 4.480 0.033 0.000 0.351 315 M C -1.174 175.074 176.300 -0.085 0.000 1.395 315 M CA 0.107 55.369 55.300 -0.064 0.000 1.117 315 M CB -0.273 32.290 32.600 -0.062 0.000 1.708 315 M HN 0.628 nan 8.290 nan 0.000 0.468 316 L N 3.105 124.282 121.223 -0.077 0.000 2.654 316 L HA 0.802 5.162 4.340 0.033 0.000 0.257 316 L C -1.002 175.787 176.870 -0.136 0.000 1.093 316 L CA -1.059 53.698 54.840 -0.139 0.000 0.903 316 L CB 0.819 42.708 42.059 -0.284 0.000 1.520 316 L HN 0.224 nan 8.230 nan 0.000 0.402 317 V N 0.812 120.635 119.914 -0.151 0.000 2.435 317 V HA 0.728 4.868 4.120 0.033 0.000 0.290 317 V C -0.383 175.565 176.094 -0.243 0.000 1.030 317 V CA -0.620 61.551 62.300 -0.216 0.000 0.881 317 V CB 1.616 33.391 31.823 -0.080 0.000 0.983 317 V HN 0.559 nan 8.190 nan 0.000 0.445 318 V N 4.614 124.275 119.914 -0.422 0.000 2.417 318 V HA 0.453 4.593 4.120 0.033 0.000 0.291 318 V C -0.490 175.474 176.094 -0.216 0.000 1.024 318 V CA -0.591 61.538 62.300 -0.284 0.000 0.861 318 V CB 1.390 32.937 31.823 -0.460 0.000 0.985 318 V HN 0.812 nan 8.190 nan 0.000 0.436 319 H N 6.275 125.455 119.070 0.183 0.000 2.685 319 H HA 0.544 5.118 4.556 0.030 0.000 0.307 319 H C -0.538 174.883 175.328 0.155 0.000 1.017 319 H CA -0.190 55.974 56.048 0.194 0.000 1.237 319 H CB 1.704 31.569 29.762 0.172 0.000 1.409 319 H HN 0.628 nan 8.280 nan 0.000 0.488 320 M N 6.110 125.798 119.600 0.146 0.000 2.326 320 M HA 0.413 4.913 4.480 0.033 0.000 0.292 320 M C -3.081 173.236 176.300 0.028 0.000 1.081 320 M CA -1.739 53.594 55.300 0.055 0.000 0.919 320 M CB 3.315 35.867 32.600 -0.079 0.000 1.634 320 M HN 0.171 nan 8.290 nan 0.000 0.451 321 P HA 0.272 nan 4.420 nan 0.000 0.276 321 P C -1.339 176.103 177.300 0.237 0.000 1.244 321 P CA -0.166 63.050 63.100 0.194 0.000 0.801 321 P CB 0.887 32.715 31.700 0.215 0.000 1.006 322 R N 1.395 121.967 120.500 0.120 0.000 2.560 322 R HA 0.650 5.010 4.340 0.033 0.000 0.270 322 R C -0.165 176.233 176.300 0.163 0.000 1.074 322 R CA -0.066 56.051 56.100 0.029 0.000 1.140 322 R CB 0.258 30.556 30.300 -0.004 0.000 1.073 322 R HN 0.596 nan 8.270 nan 0.000 0.527 323 F N -2.099 117.818 119.950 -0.055 0.000 2.765 323 F HA 0.390 4.937 4.527 0.033 0.000 0.313 323 F C -1.636 174.064 175.800 -0.166 0.000 1.136 323 F CA -1.281 56.654 58.000 -0.109 0.000 0.952 323 F CB 1.162 40.085 39.000 -0.129 0.000 1.268 323 F HN 0.344 nan 8.300 nan 0.000 0.441 324 R N 3.019 123.549 120.500 0.050 0.000 2.534 324 R HA 0.849 5.209 4.340 0.033 0.000 0.301 324 R C -1.977 174.272 176.300 -0.085 0.000 0.961 324 R CA -0.758 55.251 56.100 -0.151 0.000 0.871 324 R CB 1.706 31.919 30.300 -0.145 0.000 1.170 324 R HN 0.892 nan 8.270 nan 0.000 0.446 325 I N 3.214 123.642 120.570 -0.237 0.000 2.499 325 I HA 0.293 4.483 4.170 0.033 0.000 0.288 325 I C -0.747 175.284 176.117 -0.142 0.000 1.048 325 I CA -0.608 60.609 61.300 -0.139 0.000 1.062 325 I CB 2.320 40.254 38.000 -0.110 0.000 1.238 325 I HN 0.558 nan 8.210 nan 0.000 0.426 326 E N 4.597 124.810 120.200 0.022 0.000 2.220 326 E HA 0.342 4.712 4.350 0.033 0.000 0.256 326 E C -1.601 175.113 176.600 0.190 0.000 0.881 326 E CA -0.666 55.815 56.400 0.134 0.000 0.766 326 E CB 2.504 32.300 29.700 0.159 0.000 1.187 326 E HN 0.387 nan 8.360 nan 0.000 0.419 327 D N 1.436 122.002 120.400 0.276 0.000 2.481 327 D HA 0.629 5.289 4.640 0.033 0.000 0.244 327 D C -0.953 175.524 176.300 0.294 0.000 1.057 327 D CA -0.452 53.746 54.000 0.331 0.000 0.848 327 D CB 1.817 42.892 40.800 0.458 0.000 1.388 327 D HN 0.486 nan 8.370 nan 0.000 0.475 328 G N 1.407 110.388 108.800 0.303 0.000 2.753 328 G HA2 0.648 4.628 3.960 0.033 0.000 0.297 328 G HA3 0.648 4.628 3.960 0.033 0.000 0.297 328 G C -1.462 173.618 174.900 0.299 0.000 1.430 328 G CA -0.823 44.369 45.100 0.154 0.000 1.040 328 G HN 0.403 nan 8.290 nan 0.000 0.530 329 F N -0.421 119.699 119.950 0.284 0.000 2.807 329 F HA 0.816 5.363 4.527 0.032 0.000 0.316 329 F C -0.459 175.572 175.800 0.385 0.000 1.162 329 F CA -1.511 56.661 58.000 0.285 0.000 0.910 329 F CB 1.377 40.510 39.000 0.223 0.000 1.314 329 F HN 0.591 nan 8.300 nan 0.000 0.454 330 S N 0.873 116.929 115.700 0.594 0.000 2.525 330 S HA 0.537 5.027 4.470 0.033 0.000 0.278 330 S C 0.236 175.085 174.600 0.415 0.000 1.234 330 S CA -0.698 57.739 58.200 0.396 0.000 1.058 330 S CB 0.773 64.131 63.200 0.264 0.000 0.983 330 S HN 0.756 nan 8.310 nan 0.000 0.495 331 L N 4.445 125.865 121.223 0.328 0.000 2.509 331 L HA 0.200 4.560 4.340 0.033 0.000 0.222 331 L C 2.453 179.434 176.870 0.185 0.000 1.123 331 L CA 0.188 55.270 54.840 0.404 0.000 0.856 331 L CB -0.340 41.981 42.059 0.437 0.000 0.985 331 L HN 0.718 nan 8.230 nan 0.000 0.456 332 K N 1.062 121.460 120.400 -0.002 0.000 2.015 332 K HA -0.303 4.037 4.320 0.033 0.000 0.216 332 K C 2.057 178.426 176.600 -0.386 0.000 1.052 332 K CA 2.170 58.218 56.287 -0.398 0.000 0.937 332 K CB -0.029 32.240 32.500 -0.384 0.000 0.719 332 K HN 0.283 nan 8.250 nan 0.000 0.446 333 E N -0.418 119.670 120.200 -0.187 0.000 2.031 333 E HA -0.228 4.142 4.350 0.033 0.000 0.193 333 E C 2.202 178.707 176.600 -0.158 0.000 0.994 333 E CA 1.267 57.570 56.400 -0.162 0.000 0.800 333 E CB 0.108 29.751 29.700 -0.095 0.000 0.752 333 E HN 0.309 nan 8.360 nan 0.000 0.447 334 Q N 0.386 120.112 119.800 -0.123 0.000 2.061 334 Q HA -0.168 4.192 4.340 0.033 0.000 0.204 334 Q C 2.468 178.359 176.000 -0.182 0.000 0.984 334 Q CA 1.118 56.793 55.803 -0.213 0.000 0.846 334 Q CB -0.491 28.063 28.738 -0.307 0.000 0.902 334 Q HN 0.407 nan 8.270 nan 0.000 0.421 335 L N 0.453 121.672 121.223 -0.006 0.000 2.083 335 L HA -0.225 4.135 4.340 0.033 0.000 0.209 335 L C 2.590 179.427 176.870 -0.055 0.000 1.083 335 L CA 1.152 56.002 54.840 0.018 0.000 0.752 335 L CB -0.316 41.824 42.059 0.136 0.000 0.899 335 L HN 0.313 nan 8.230 nan 0.000 0.433 336 Q N -0.283 119.438 119.800 -0.132 0.000 2.046 336 Q HA -0.196 4.164 4.340 0.033 0.000 0.200 336 Q C 1.699 177.636 176.000 -0.104 0.000 0.975 336 Q CA 1.494 57.232 55.803 -0.108 0.000 0.836 336 Q CB 0.034 28.657 28.738 -0.191 0.000 0.896 336 Q HN 0.485 nan 8.270 nan 0.000 0.428 337 D N -0.013 120.293 120.400 -0.157 0.000 2.310 337 D HA -0.123 4.537 4.640 0.033 0.000 0.212 337 D C 1.361 177.543 176.300 -0.197 0.000 0.965 337 D CA 1.058 54.966 54.000 -0.154 0.000 0.879 337 D CB 0.017 40.718 40.800 -0.166 0.000 0.921 337 D HN 0.345 nan 8.370 nan 0.000 0.510 338 M N -0.941 118.499 119.600 -0.266 0.000 2.561 338 M HA 0.156 4.656 4.480 0.033 0.000 0.238 338 M C 1.148 177.378 176.300 -0.118 0.000 1.131 338 M CA 0.486 55.630 55.300 -0.261 0.000 1.046 338 M CB 0.901 33.301 32.600 -0.334 0.000 1.532 338 M HN 0.147 nan 8.290 nan 0.000 0.497 339 G N 0.872 109.631 108.800 -0.069 0.000 2.229 339 G HA2 -0.173 3.807 3.960 0.033 0.000 0.189 339 G HA3 -0.173 3.807 3.960 0.033 0.000 0.189 339 G C -0.279 174.637 174.900 0.027 0.000 1.000 339 G CA -0.662 44.426 45.100 -0.021 0.000 0.663 339 G HN 0.283 nan 8.290 nan 0.000 0.493 340 L N 2.989 124.252 121.223 0.066 0.000 2.328 340 L HA 0.623 4.983 4.340 0.033 0.000 0.280 340 L C 1.526 178.575 176.870 0.299 0.000 1.111 340 L CA 0.363 55.318 54.840 0.192 0.000 0.909 340 L CB 1.022 43.255 42.059 0.288 0.000 1.277 340 L HN 0.480 nan 8.230 nan 0.000 0.433 341 V N -0.300 119.740 119.914 0.210 0.000 2.721 341 V HA 0.158 4.298 4.120 0.033 0.000 0.236 341 V C 1.591 177.816 176.094 0.219 0.000 1.116 341 V CA 0.572 63.004 62.300 0.219 0.000 1.148 341 V CB -0.599 31.285 31.823 0.101 0.000 0.886 341 V HN 0.465 nan 8.190 nan 0.000 0.490 342 D N 1.185 121.656 120.400 0.119 0.000 2.133 342 D HA -0.217 4.443 4.640 0.033 0.000 0.192 342 D C 1.955 178.285 176.300 0.050 0.000 1.001 342 D CA 2.067 56.108 54.000 0.068 0.000 0.844 342 D CB -0.491 40.332 40.800 0.037 0.000 0.944 342 D HN 0.406 nan 8.370 nan 0.000 0.447 343 L N -0.522 120.703 121.223 0.004 0.000 2.089 343 L HA -0.185 4.175 4.340 0.033 0.000 0.213 343 L C 1.548 178.282 176.870 -0.227 0.000 1.079 343 L CA 1.636 56.372 54.840 -0.172 0.000 0.758 343 L CB -0.362 41.486 42.059 -0.352 0.000 0.891 343 L HN 0.039 nan 8.230 nan 0.000 0.433 344 F N -2.057 117.974 119.950 0.135 0.000 2.776 344 F HA 0.224 4.771 4.527 0.033 0.000 0.300 344 F C 1.451 177.278 175.800 0.046 0.000 1.116 344 F CA 0.182 58.276 58.000 0.155 0.000 1.375 344 F CB -0.317 38.752 39.000 0.114 0.000 1.109 344 F HN -0.036 nan 8.300 nan 0.000 0.585 345 S N 1.526 117.280 115.700 0.090 0.000 2.430 345 S HA 0.219 4.709 4.470 0.033 0.000 0.289 345 S C -1.657 172.744 174.600 -0.332 0.000 1.143 345 S CA -1.565 56.572 58.200 -0.104 0.000 1.067 345 S CB 0.921 64.100 63.200 -0.036 0.000 0.964 345 S HN -0.136 nan 8.310 nan 0.000 0.485 346 P HA -0.077 nan 4.420 nan 0.000 0.219 346 P C 0.545 177.673 177.300 -0.287 0.000 1.146 346 P CA 1.112 63.670 63.100 -0.902 0.000 0.808 346 P CB 0.214 31.395 31.700 -0.864 0.000 0.779 347 E N -0.998 119.084 120.200 -0.196 0.000 2.190 347 E HA -0.007 4.363 4.350 0.033 0.000 0.191 347 E C 1.629 178.196 176.600 -0.055 0.000 0.978 347 E CA 0.935 57.279 56.400 -0.093 0.000 0.839 347 E CB -0.251 29.406 29.700 -0.073 0.000 0.787 347 E HN 0.228 nan 8.360 nan 0.000 0.473 348 K N 0.204 120.574 120.400 -0.051 0.000 2.348 348 K HA 0.206 4.546 4.320 0.033 0.000 0.194 348 K C 0.706 177.304 176.600 -0.004 0.000 1.052 348 K CA 0.005 56.281 56.287 -0.019 0.000 1.004 348 K CB 0.593 33.089 32.500 -0.007 0.000 0.873 348 K HN -0.084 nan 8.250 nan 0.000 0.523 349 S N 1.782 117.482 115.700 -0.001 0.000 2.558 349 S HA -0.024 4.466 4.470 0.033 0.000 0.293 349 S C -0.294 174.314 174.600 0.013 0.000 1.292 349 S CA 0.219 58.431 58.200 0.021 0.000 1.063 349 S CB 0.263 63.511 63.200 0.079 0.000 0.831 349 S HN -0.011 nan 8.310 nan 0.000 0.499 350 K N 5.295 125.696 120.400 0.002 0.000 2.621 350 K HA 0.372 4.712 4.320 0.033 0.000 0.233 350 K C -0.903 175.683 176.600 -0.022 0.000 0.972 350 K CA -0.124 56.160 56.287 -0.006 0.000 0.988 350 K CB 1.000 33.500 32.500 0.000 0.000 1.187 350 K HN 0.643 nan 8.250 nan 0.000 0.471 351 L N 3.976 125.174 121.223 -0.041 0.000 3.059 351 L HA 0.211 4.571 4.340 0.033 0.000 0.298 351 L C -1.298 175.512 176.870 -0.100 0.000 1.304 351 L CA -1.053 53.739 54.840 -0.081 0.000 0.855 351 L CB 1.168 43.161 42.059 -0.109 0.000 1.266 351 L HN 0.184 nan 8.230 nan 0.000 0.572 352 P HA -0.120 nan 4.420 nan 0.000 0.225 352 P C 1.302 178.552 177.300 -0.083 0.000 1.148 352 P CA 1.082 64.141 63.100 -0.068 0.000 0.779 352 P CB 0.312 31.990 31.700 -0.037 0.000 0.780 353 G N -0.726 108.018 108.800 -0.094 0.000 2.920 353 G HA2 0.049 4.029 3.960 0.033 0.000 0.208 353 G HA3 0.049 4.029 3.960 0.033 0.000 0.208 353 G C 1.372 176.155 174.900 -0.195 0.000 1.159 353 G CA -0.071 44.977 45.100 -0.086 0.000 0.784 353 G HN 0.246 nan 8.290 nan 0.000 0.535 354 I N -0.284 120.083 120.570 -0.339 0.000 2.499 354 I HA 0.088 4.278 4.170 0.033 0.000 0.243 354 I C 0.357 176.343 176.117 -0.219 0.000 1.085 354 I CA 0.454 61.387 61.300 -0.612 0.000 1.422 354 I CB 0.138 37.730 38.000 -0.679 0.000 1.165 354 I HN -0.201 nan 8.210 nan 0.000 0.440 355 V N 2.493 122.281 119.914 -0.209 0.000 2.370 355 V HA 0.503 4.643 4.120 0.033 0.000 0.279 355 V C 0.286 176.279 176.094 -0.168 0.000 1.029 355 V CA -0.865 61.278 62.300 -0.260 0.000 0.870 355 V CB 1.095 32.696 31.823 -0.370 0.000 0.984 355 V HN 0.283 nan 8.190 nan 0.000 0.451 356 A N 4.023 126.767 122.820 -0.126 0.000 2.371 356 A HA 0.560 4.900 4.320 0.033 0.000 0.257 356 A C 0.478 178.010 177.584 -0.087 0.000 1.089 356 A CA -0.004 51.989 52.037 -0.075 0.000 0.794 356 A CB 0.029 19.011 19.000 -0.030 0.000 1.029 356 A HN 1.192 nan 8.150 nan 0.000 0.488 357 E N 0.340 120.504 120.200 -0.060 0.000 5.642 357 E HA 0.023 4.393 4.350 0.033 0.000 0.186 357 E C 0.529 177.089 176.600 -0.065 0.000 1.588 357 E CA 0.842 57.210 56.400 -0.054 0.000 1.263 357 E CB -1.303 28.367 29.700 -0.050 0.000 1.005 357 E HN 2.780 nan 8.360 nan 0.000 0.322 358 G N 3.693 112.460 108.800 -0.054 0.000 2.698 358 G HA2 -0.373 3.607 3.960 0.033 0.000 0.233 358 G HA3 -0.373 3.607 3.960 0.033 0.000 0.233 358 G C -0.022 174.837 174.900 -0.068 0.000 1.352 358 G CA 0.652 45.720 45.100 -0.053 0.000 0.879 358 G HN 1.274 nan 8.290 nan 0.000 0.567 359 R N -0.626 119.838 120.500 -0.060 0.000 3.184 359 R HA -0.217 4.143 4.340 0.033 0.000 0.242 359 R C 1.399 177.659 176.300 -0.068 0.000 0.907 359 R CA 1.625 57.686 56.100 -0.064 0.000 0.618 359 R CB -1.532 28.712 30.300 -0.095 0.000 1.016 359 R HN 0.784 nan 8.270 nan 0.000 0.469 360 D N -0.737 119.634 120.400 -0.047 0.000 2.348 360 D HA -0.083 4.577 4.640 0.033 0.000 0.211 360 D C 0.154 176.439 176.300 -0.024 0.000 0.998 360 D CA 0.685 54.658 54.000 -0.045 0.000 0.873 360 D CB 0.054 40.833 40.800 -0.035 0.000 0.925 360 D HN 0.595 nan 8.370 nan 0.000 0.524 361 D N 1.025 121.423 120.400 -0.003 0.000 2.690 361 D HA 0.146 4.806 4.640 0.033 0.000 0.236 361 D C 0.356 176.709 176.300 0.088 0.000 1.218 361 D CA -0.586 53.434 54.000 0.033 0.000 0.829 361 D CB -0.194 40.627 40.800 0.035 0.000 1.009 361 D HN 0.086 nan 8.370 nan 0.000 0.482 362 L N 1.949 123.189 121.223 0.028 0.000 2.410 362 L HA 0.298 4.658 4.340 0.033 0.000 0.273 362 L C -0.734 176.165 176.870 0.049 0.000 1.152 362 L CA -0.284 54.551 54.840 -0.008 0.000 0.855 362 L CB -0.136 41.867 42.059 -0.094 0.000 1.129 362 L HN 0.289 nan 8.230 nan 0.000 0.463 363 Y N 2.325 122.580 120.300 -0.075 0.000 2.638 363 Y HA 0.749 5.319 4.550 0.033 0.000 0.339 363 Y C -1.041 174.799 175.900 -0.099 0.000 1.084 363 Y CA -1.638 56.409 58.100 -0.088 0.000 1.068 363 Y CB 0.861 39.292 38.460 -0.048 0.000 1.294 363 Y HN 0.210 nan 8.280 nan 0.000 0.480 364 V N 2.447 122.300 119.914 -0.101 0.000 2.408 364 V HA 0.108 4.248 4.120 0.033 0.000 0.267 364 V C 0.923 177.044 176.094 0.045 0.000 1.047 364 V CA 0.547 62.745 62.300 -0.170 0.000 0.937 364 V CB 0.711 32.354 31.823 -0.299 0.000 0.999 364 V HN 1.047 nan 8.190 nan 0.000 0.472 365 S N 3.086 118.730 115.700 -0.094 0.000 2.395 365 S HA 0.013 4.503 4.470 0.033 0.000 0.225 365 S C 0.569 175.255 174.600 0.144 0.000 1.027 365 S CA 0.906 59.147 58.200 0.068 0.000 0.965 365 S CB 0.017 63.176 63.200 -0.069 0.000 0.812 365 S HN 0.898 nan 8.310 nan 0.000 0.482 366 D N -1.451 118.979 120.400 0.049 0.000 2.653 366 D HA 0.572 5.232 4.640 0.033 0.000 0.258 366 D C -1.781 174.403 176.300 -0.194 0.000 1.252 366 D CA -0.190 53.743 54.000 -0.112 0.000 0.777 366 D CB 2.133 42.768 40.800 -0.276 0.000 1.339 366 D HN 0.233 nan 8.370 nan 0.000 0.422 367 A N 1.491 124.081 122.820 -0.382 0.000 2.442 367 A HA 0.641 4.981 4.320 0.033 0.000 0.284 367 A C -1.674 175.710 177.584 -0.333 0.000 1.058 367 A CA -0.539 51.400 52.037 -0.164 0.000 0.738 367 A CB 0.373 19.547 19.000 0.291 0.000 1.242 367 A HN 0.268 nan 8.150 nan 0.000 0.421 368 F N 0.917 120.965 119.950 0.164 0.000 2.480 368 F HA 0.617 5.164 4.527 0.033 0.000 0.329 368 F C 0.304 176.156 175.800 0.087 0.000 1.091 368 F CA -0.357 57.711 58.000 0.114 0.000 0.972 368 F CB 1.997 41.035 39.000 0.063 0.000 1.150 368 F HN 0.724 nan 8.300 nan 0.000 0.467 369 H N 1.841 120.922 119.070 0.018 0.000 2.572 369 H HA 0.589 5.165 4.556 0.033 0.000 0.359 369 H C -1.298 173.893 175.328 -0.227 0.000 1.134 369 H CA -0.900 55.050 56.048 -0.164 0.000 1.187 369 H CB 1.640 31.160 29.762 -0.404 0.000 1.597 369 H HN 0.623 nan 8.280 nan 0.000 0.524 370 K N 3.298 123.429 120.400 -0.449 0.000 2.535 370 K HA 0.743 5.083 4.320 0.033 0.000 0.250 370 K C -1.939 174.562 176.600 -0.165 0.000 0.948 370 K CA -0.681 55.493 56.287 -0.188 0.000 0.796 370 K CB 1.419 33.885 32.500 -0.057 0.000 1.216 370 K HN 0.659 nan 8.250 nan 0.000 0.432 371 A N 3.444 126.323 122.820 0.099 0.000 2.454 371 A HA 0.790 5.130 4.320 0.033 0.000 0.302 371 A C -1.890 175.997 177.584 0.505 0.000 1.079 371 A CA -0.665 51.575 52.037 0.338 0.000 0.731 371 A CB 0.915 20.183 19.000 0.448 0.000 1.299 371 A HN 0.670 nan 8.150 nan 0.000 0.413 372 F N 1.271 121.438 119.950 0.362 0.000 2.565 372 F HA 0.773 5.318 4.527 0.030 0.000 0.313 372 F C -1.535 174.244 175.800 -0.035 0.000 1.091 372 F CA -1.053 57.045 58.000 0.163 0.000 0.915 372 F CB 1.976 41.031 39.000 0.092 0.000 1.208 372 F HN 0.602 nan 8.300 nan 0.000 0.453 373 L N 4.949 125.519 121.223 -1.088 0.000 2.543 373 L HA 0.500 4.860 4.340 0.033 0.000 0.265 373 L C -1.841 174.415 176.870 -1.024 0.000 0.945 373 L CA -0.123 54.080 54.840 -1.062 0.000 0.869 373 L CB 2.020 43.161 42.059 -1.529 0.000 1.294 373 L HN 0.759 nan 8.230 nan 0.000 0.405 374 E N 3.555 123.323 120.200 -0.719 0.000 2.224 374 E HA 0.746 5.116 4.350 0.033 0.000 0.265 374 E C -1.865 174.461 176.600 -0.457 0.000 0.878 374 E CA -0.709 55.375 56.400 -0.525 0.000 0.759 374 E CB 2.129 31.690 29.700 -0.232 0.000 1.164 374 E HN 0.516 nan 8.360 nan 0.000 0.414 375 V N 4.914 124.460 119.914 -0.613 0.000 2.531 375 V HA 0.521 4.661 4.120 0.033 0.000 0.301 375 V C -0.570 175.364 176.094 -0.267 0.000 1.034 375 V CA -0.676 61.339 62.300 -0.475 0.000 0.865 375 V CB 1.488 32.836 31.823 -0.791 0.000 0.995 375 V HN 0.880 nan 8.190 nan 0.000 0.424 376 N N 2.683 121.364 118.700 -0.031 0.000 3.449 376 N HA 0.353 5.113 4.740 0.033 0.000 0.312 376 N C 0.268 175.921 175.510 0.239 0.000 1.557 376 N CA -0.812 52.263 53.050 0.042 0.000 0.864 376 N CB 0.953 39.436 38.487 -0.006 0.000 1.799 376 N HN 0.215 nan 8.380 nan 0.000 0.554 377 E N 0.399 120.714 120.200 0.191 0.000 2.001 377 E HA -0.041 4.329 4.350 0.033 0.000 0.193 377 E C 0.759 177.555 176.600 0.325 0.000 0.994 377 E CA 1.735 58.325 56.400 0.318 0.000 0.815 377 E CB -0.188 29.642 29.700 0.217 0.000 0.770 377 E HN 0.725 nan 8.360 nan 0.000 0.453 378 E N -0.957 119.346 120.200 0.171 0.000 2.435 378 E HA 0.136 4.506 4.350 0.033 0.000 0.195 378 E C 0.992 177.614 176.600 0.037 0.000 1.029 378 E CA 0.413 56.882 56.400 0.115 0.000 0.865 378 E CB 0.418 30.167 29.700 0.082 0.000 0.833 378 E HN 0.404 nan 8.360 nan 0.000 0.510 379 G N 1.317 110.117 108.800 0.000 0.000 2.253 379 G HA2 -0.317 3.664 3.960 0.033 0.000 0.251 379 G HA3 -0.317 3.664 3.960 0.033 0.000 0.251 379 G C 0.517 175.387 174.900 -0.049 0.000 0.998 379 G CA 0.457 45.510 45.100 -0.079 0.000 0.621 379 G HN 0.344 nan 8.290 nan 0.000 0.524 380 S N -0.175 115.517 115.700 -0.013 0.000 2.617 380 S HA 0.584 5.074 4.470 0.033 0.000 0.283 380 S C 1.024 175.628 174.600 0.006 0.000 1.189 380 S CA 0.332 58.529 58.200 -0.005 0.000 1.036 380 S CB 1.462 64.664 63.200 0.004 0.000 1.014 380 S HN 0.320 nan 8.310 nan 0.000 0.522 381 E N 1.553 121.758 120.200 0.009 0.000 2.479 381 E HA 0.205 4.575 4.350 0.033 0.000 0.193 381 E C 0.842 177.451 176.600 0.015 0.000 1.049 381 E CA -0.123 56.286 56.400 0.015 0.000 0.870 381 E CB 0.318 30.032 29.700 0.023 0.000 0.944 381 E HN 0.674 nan 8.360 nan 0.000 0.492 382 A N 1.450 124.277 122.820 0.013 0.000 2.262 382 A HA 0.518 4.858 4.320 0.033 0.000 0.273 382 A C 0.802 178.398 177.584 0.019 0.000 1.202 382 A CA 0.167 52.213 52.037 0.014 0.000 0.811 382 A CB 0.051 19.057 19.000 0.011 0.000 1.159 382 A HN 0.219 nan 8.150 nan 0.000 0.505 383 A N -0.828 122.004 122.820 0.020 0.000 2.311 383 A HA 0.547 4.887 4.320 0.033 0.000 0.269 383 A C 0.763 178.365 177.584 0.031 0.000 1.514 383 A CA 0.403 52.455 52.037 0.024 0.000 0.827 383 A CB -0.695 18.317 19.000 0.021 0.000 1.358 383 A HN 2.190 nan 8.150 nan 0.000 0.549 384 A N -1.203 121.637 122.820 0.034 0.000 2.292 384 A HA 0.563 4.903 4.320 0.033 0.000 0.319 384 A C 0.517 178.124 177.584 0.039 0.000 1.206 384 A CA 0.229 52.292 52.037 0.043 0.000 0.835 384 A CB 0.636 19.665 19.000 0.049 0.000 1.164 384 A HN 1.738 nan 8.150 nan 0.000 0.505 385 S N 0.172 115.897 115.700 0.042 0.000 2.900 385 S HA 0.300 4.790 4.470 0.033 0.000 0.253 385 S C 0.295 174.921 174.600 0.042 0.000 1.029 385 S CA 0.453 58.675 58.200 0.037 0.000 1.096 385 S CB -0.501 62.717 63.200 0.031 0.000 1.067 385 S HN 1.359 nan 8.310 nan 0.000 0.610 386 T N -1.084 113.502 114.554 0.053 0.000 2.901 386 T HA 0.931 5.301 4.350 0.033 0.000 0.293 386 T C -0.488 174.249 174.700 0.062 0.000 1.084 386 T CA -0.413 61.722 62.100 0.058 0.000 1.008 386 T CB 1.679 70.590 68.868 0.072 0.000 1.170 386 T HN 0.861 nan 8.240 nan 0.000 0.509 387 A N 0.403 123.257 122.820 0.058 0.000 2.588 387 A HA 0.852 5.192 4.320 0.033 0.000 0.290 387 A C -1.566 176.049 177.584 0.052 0.000 1.136 387 A CA -0.839 51.232 52.037 0.057 0.000 0.681 387 A CB 1.525 20.552 19.000 0.045 0.000 1.282 387 A HN 1.144 nan 8.150 nan 0.000 0.421 388 V N 0.101 120.044 119.914 0.049 0.000 2.733 388 V HA 0.557 4.697 4.120 0.033 0.000 0.306 388 V C -1.077 175.034 176.094 0.029 0.000 1.084 388 V CA -0.486 61.835 62.300 0.035 0.000 0.905 388 V CB 1.756 33.599 31.823 0.032 0.000 1.010 388 V HN 0.775 nan 8.190 nan 0.000 0.424 389 V N 6.113 126.038 119.914 0.018 0.000 2.407 389 V HA 0.534 4.674 4.120 0.033 0.000 0.291 389 V C -0.378 175.720 176.094 0.005 0.000 1.018 389 V CA -0.300 62.009 62.300 0.015 0.000 0.842 389 V CB 1.785 33.617 31.823 0.014 0.000 0.996 389 V HN 0.716 nan 8.190 nan 0.000 0.426 390 I N 4.839 125.412 120.570 0.006 0.000 2.428 390 I HA 0.607 4.797 4.170 0.033 0.000 0.279 390 I C 0.454 176.571 176.117 -0.001 0.000 1.040 390 I CA -0.332 60.965 61.300 -0.004 0.000 1.171 390 I CB 1.395 39.389 38.000 -0.010 0.000 1.312 390 I HN 0.647 nan 8.210 nan 0.000 0.470 391 A N 3.988 126.807 122.820 -0.003 0.000 2.306 391 A HA 0.697 5.037 4.320 0.033 0.000 0.314 391 A C 1.015 178.596 177.584 -0.005 0.000 1.164 391 A CA 0.183 52.219 52.037 -0.001 0.000 0.822 391 A CB 0.798 19.798 19.000 -0.000 0.000 1.130 391 A HN 1.086 nan 8.150 nan 0.000 0.496 392 G N 0.822 109.620 108.800 -0.003 0.000 2.198 392 G HA2 -0.220 3.760 3.960 0.033 0.000 0.257 392 G HA3 -0.220 3.760 3.960 0.033 0.000 0.257 392 G C 0.204 175.099 174.900 -0.008 0.000 1.042 392 G CA 0.646 45.743 45.100 -0.005 0.000 0.791 392 G HN 1.111 nan 8.290 nan 0.000 0.502 393 R N -0.464 120.031 120.500 -0.007 0.000 2.393 393 R HA 0.672 5.032 4.340 0.033 0.000 0.310 393 R C -0.747 175.550 176.300 -0.005 0.000 0.968 393 R CA -0.101 55.992 56.100 -0.011 0.000 0.867 393 R CB 1.420 31.712 30.300 -0.014 0.000 1.124 393 R HN 0.220 nan 8.270 nan 0.000 0.450 394 S N 5.669 121.364 115.700 -0.008 0.000 2.620 394 S HA 0.338 4.828 4.470 0.033 0.000 0.244 394 S C -0.684 173.911 174.600 -0.008 0.000 1.192 394 S CA -0.709 57.488 58.200 -0.004 0.000 1.148 394 S CB 0.332 63.530 63.200 -0.003 0.000 1.106 394 S HN 0.556 nan 8.310 nan 0.000 0.474 395 L N 2.790 124.009 121.223 -0.006 0.000 2.456 395 L HA 0.489 4.850 4.340 0.033 0.000 0.257 395 L C 1.094 177.960 176.870 -0.007 0.000 1.162 395 L CA -0.996 53.837 54.840 -0.012 0.000 0.808 395 L CB 0.335 42.386 42.059 -0.015 0.000 1.136 395 L HN 0.527 nan 8.230 nan 0.000 0.466 396 N N 2.703 121.396 118.700 -0.011 0.000 2.440 396 N HA 0.005 4.765 4.740 0.033 0.000 0.265 396 N C -1.587 173.922 175.510 -0.002 0.000 1.239 396 N CA -1.142 51.904 53.050 -0.007 0.000 0.909 396 N CB 1.122 39.602 38.487 -0.011 0.000 1.066 396 N HN 0.351 nan 8.380 nan 0.000 0.474 397 P HA -0.097 nan 4.420 nan 0.000 0.223 397 P C -0.232 177.072 177.300 0.007 0.000 1.144 397 P CA 1.018 64.122 63.100 0.007 0.000 0.783 397 P CB 0.379 32.083 31.700 0.006 0.000 0.771 398 N N 0.475 119.176 118.700 0.002 0.000 2.453 398 N HA 0.074 4.834 4.740 0.033 0.000 0.270 398 N C 0.412 175.919 175.510 -0.006 0.000 1.195 398 N CA -0.169 52.881 53.050 0.001 0.000 0.902 398 N CB 0.179 38.667 38.487 0.000 0.000 1.186 398 N HN 0.420 nan 8.380 nan 0.000 0.510 399 R N -0.689 119.806 120.500 -0.009 0.000 2.594 399 R HA 0.318 4.678 4.340 0.033 0.000 0.272 399 R C 0.441 176.719 176.300 -0.037 0.000 1.074 399 R CA -0.533 55.551 56.100 -0.027 0.000 1.105 399 R CB 0.771 31.053 30.300 -0.031 0.000 1.008 399 R HN -0.165 nan 8.270 nan 0.000 0.472 400 V N 1.749 121.618 119.914 -0.075 0.000 2.763 400 V HA 0.098 4.238 4.120 0.033 0.000 0.306 400 V C -0.162 175.868 176.094 -0.107 0.000 1.059 400 V CA 0.694 62.930 62.300 -0.106 0.000 1.138 400 V CB 1.317 33.008 31.823 -0.220 0.000 0.940 400 V HN 0.925 nan 8.190 nan 0.000 0.489 401 T N 6.714 121.243 114.554 -0.042 0.000 2.824 401 T HA 0.537 4.907 4.350 0.033 0.000 0.282 401 T C -1.153 173.594 174.700 0.079 0.000 0.993 401 T CA -0.513 61.603 62.100 0.027 0.000 0.967 401 T CB 0.809 69.722 68.868 0.076 0.000 0.960 401 T HN 0.672 nan 8.240 nan 0.000 0.441 402 F N 5.148 125.066 119.950 -0.054 0.000 2.366 402 F HA 0.561 5.107 4.527 0.030 0.000 0.366 402 F C -0.163 175.671 175.800 0.058 0.000 1.096 402 F CA -0.832 57.149 58.000 -0.032 0.000 1.060 402 F CB 0.839 39.769 39.000 -0.117 0.000 1.282 402 F HN 0.474 nan 8.300 nan 0.000 0.450 403 K N 5.170 125.490 120.400 -0.133 0.000 2.414 403 K HA 0.617 4.957 4.320 0.033 0.000 0.251 403 K C -0.534 175.944 176.600 -0.204 0.000 1.037 403 K CA -0.530 55.746 56.287 -0.019 0.000 0.980 403 K CB 1.020 33.481 32.500 -0.065 0.000 1.280 403 K HN 0.654 nan 8.250 nan 0.000 0.451 404 A N 4.307 127.047 122.820 -0.133 0.000 3.091 404 A HA 0.089 4.429 4.320 0.033 0.000 0.264 404 A C -0.138 177.570 177.584 0.207 0.000 1.673 404 A CA -0.515 51.442 52.037 -0.132 0.000 1.362 404 A CB -0.787 18.018 19.000 -0.325 0.000 1.137 404 A HN 0.844 nan 8.150 nan 0.000 0.617 405 N N 0.471 119.252 118.700 0.133 0.000 2.321 405 N HA 0.167 4.927 4.740 0.033 0.000 0.242 405 N C -0.003 175.275 175.510 -0.386 0.000 1.141 405 N CA -0.454 52.702 53.050 0.176 0.000 0.864 405 N CB 0.116 38.684 38.487 0.135 0.000 1.100 405 N HN 0.696 nan 8.380 nan 0.000 0.510 406 R N -2.461 117.859 120.500 -0.300 0.000 2.764 406 R HA 0.600 4.960 4.340 0.033 0.000 0.270 406 R C -3.302 173.024 176.300 0.043 0.000 1.014 406 R CA -2.035 53.740 56.100 -0.541 0.000 0.904 406 R CB 0.169 30.342 30.300 -0.212 0.000 1.236 406 R HN -0.207 nan 8.270 nan 0.000 0.466 407 P HA -0.053 nan 4.420 nan 0.000 0.263 407 P C -1.235 176.230 177.300 0.275 0.000 1.175 407 P CA 0.481 63.723 63.100 0.236 0.000 0.761 407 P CB 0.129 31.898 31.700 0.115 0.000 0.794 408 F N 0.520 120.560 119.950 0.149 0.000 2.662 408 F HA 0.628 5.173 4.527 0.030 0.000 0.312 408 F C -1.641 174.242 175.800 0.139 0.000 1.113 408 F CA -1.510 56.576 58.000 0.144 0.000 0.951 408 F CB 0.760 39.863 39.000 0.171 0.000 1.344 408 F HN -0.048 nan 8.300 nan 0.000 0.462 409 L N 2.333 123.796 121.223 0.399 0.000 2.360 409 L HA 0.836 5.196 4.340 0.033 0.000 0.271 409 L C -0.565 176.543 176.870 0.396 0.000 1.057 409 L CA -1.369 53.608 54.840 0.229 0.000 0.803 409 L CB 1.707 43.919 42.059 0.255 0.000 1.207 409 L HN 0.722 nan 8.230 nan 0.000 0.445 410 V N 1.919 121.894 119.914 0.101 0.000 2.888 410 V HA 0.630 4.770 4.120 0.033 0.000 0.309 410 V C -1.600 174.503 176.094 0.014 0.000 1.114 410 V CA -0.315 62.175 62.300 0.317 0.000 0.940 410 V CB 2.065 34.149 31.823 0.434 0.000 1.021 410 V HN 0.518 nan 8.190 nan 0.000 0.426 411 F N 5.326 125.443 119.950 0.278 0.000 2.588 411 F HA 0.682 5.229 4.527 0.033 0.000 0.310 411 F C -0.187 175.779 175.800 0.277 0.000 1.082 411 F CA -0.962 57.180 58.000 0.238 0.000 0.929 411 F CB 2.162 41.254 39.000 0.153 0.000 1.254 411 F HN 0.299 nan 8.300 nan 0.000 0.455 412 I N 3.493 124.331 120.570 0.446 0.000 2.448 412 I HA 0.447 4.637 4.170 0.033 0.000 0.281 412 I C -0.621 175.639 176.117 0.239 0.000 1.027 412 I CA -0.602 60.891 61.300 0.321 0.000 1.111 412 I CB 1.352 39.460 38.000 0.180 0.000 1.236 412 I HN 0.648 nan 8.210 nan 0.000 0.452 413 R N 4.218 124.845 120.500 0.211 0.000 2.873 413 R HA 0.586 4.946 4.340 0.033 0.000 0.264 413 R C -0.675 175.691 176.300 0.110 0.000 1.026 413 R CA -0.855 55.330 56.100 0.140 0.000 1.002 413 R CB 2.074 32.449 30.300 0.124 0.000 1.174 413 R HN 0.261 nan 8.270 nan 0.000 0.488 414 E N 2.353 122.595 120.200 0.070 0.000 2.035 414 E HA 0.116 4.486 4.350 0.033 0.000 0.271 414 E C 0.708 177.350 176.600 0.070 0.000 0.953 414 E CA -0.391 56.048 56.400 0.065 0.000 0.777 414 E CB 1.671 31.383 29.700 0.020 0.000 1.104 414 E HN 0.595 nan 8.360 nan 0.000 0.408 415 V N 6.648 126.621 119.914 0.098 0.000 2.237 415 V HA -0.167 3.973 4.120 0.033 0.000 0.245 415 V C -0.726 175.441 176.094 0.122 0.000 1.046 415 V CA 1.781 64.143 62.300 0.103 0.000 1.007 415 V CB -1.477 30.412 31.823 0.110 0.000 0.638 415 V HN 0.569 nan 8.190 nan 0.000 0.445 416 P HA -0.188 nan 4.420 nan 0.000 0.218 416 P C 1.578 178.997 177.300 0.199 0.000 1.150 416 P CA 1.795 64.977 63.100 0.136 0.000 0.841 416 P CB -0.050 31.708 31.700 0.097 0.000 0.784 417 L N -1.652 119.652 121.223 0.136 0.000 2.556 417 L HA 0.128 4.488 4.340 0.033 0.000 0.226 417 L C 0.350 177.193 176.870 -0.044 0.000 1.089 417 L CA 0.478 55.383 54.840 0.109 0.000 0.864 417 L CB -0.871 41.203 42.059 0.024 0.000 1.067 417 L HN 0.067 nan 8.230 nan 0.000 0.477 418 N N -0.223 118.466 118.700 -0.017 0.000 2.756 418 N HA -0.171 4.589 4.740 0.033 0.000 0.248 418 N C -0.564 174.856 175.510 -0.149 0.000 1.062 418 N CA 0.917 53.898 53.050 -0.115 0.000 0.696 418 N CB -2.703 35.605 38.487 -0.297 0.000 0.946 418 N HN 0.119 nan 8.380 nan 0.000 0.548 419 T N 1.163 115.676 114.554 -0.068 0.000 2.824 419 T HA 0.563 4.933 4.350 0.033 0.000 0.280 419 T C 0.789 175.492 174.700 0.006 0.000 0.995 419 T CA -0.645 61.423 62.100 -0.053 0.000 1.009 419 T CB 1.135 69.974 68.868 -0.048 0.000 0.955 419 T HN 0.280 nan 8.240 nan 0.000 0.452 420 I N 4.537 125.125 120.570 0.031 0.000 2.291 420 I HA 0.237 4.427 4.170 0.033 0.000 0.292 420 I C 1.139 177.282 176.117 0.043 0.000 1.064 420 I CA -0.254 61.105 61.300 0.098 0.000 1.269 420 I CB 0.720 38.813 38.000 0.155 0.000 1.418 420 I HN 0.687 nan 8.210 nan 0.000 0.485 421 I N 5.272 125.859 120.570 0.028 0.000 2.400 421 I HA 0.016 4.206 4.170 0.033 0.000 0.248 421 I C 0.190 176.047 176.117 -0.435 0.000 1.109 421 I CA 1.183 62.383 61.300 -0.166 0.000 1.425 421 I CB 0.030 37.976 38.000 -0.091 0.000 1.094 421 I HN 0.313 nan 8.210 nan 0.000 0.425 422 F N 0.474 120.450 119.950 0.042 0.000 2.629 422 F HA 0.647 5.197 4.527 0.038 0.000 0.316 422 F C -0.147 175.616 175.800 -0.063 0.000 1.081 422 F CA -0.988 56.974 58.000 -0.063 0.000 0.954 422 F CB 1.777 40.788 39.000 0.017 0.000 1.337 422 F HN -0.203 nan 8.300 nan 0.000 0.474 423 M N 0.567 120.132 119.600 -0.058 0.000 2.643 423 M HA 0.931 5.431 4.480 0.033 0.000 0.276 423 M C -1.134 175.089 176.300 -0.128 0.000 1.200 423 M CA -0.434 54.751 55.300 -0.192 0.000 0.863 423 M CB 2.454 34.819 32.600 -0.393 0.000 1.711 423 M HN 0.851 nan 8.290 nan 0.000 0.492 424 G N 0.902 109.610 108.800 -0.153 0.000 2.341 424 G HA2 0.521 4.501 3.960 0.033 0.000 0.299 424 G HA3 0.521 4.501 3.960 0.033 0.000 0.299 424 G C -2.432 172.470 174.900 0.004 0.000 1.274 424 G CA -0.931 44.250 45.100 0.134 0.000 0.853 424 G HN 0.915 nan 8.290 nan 0.000 0.493 425 R N -0.401 120.153 120.500 0.090 0.000 2.621 425 R HA 0.590 4.950 4.340 0.033 0.000 0.284 425 R C -1.694 174.473 176.300 -0.222 0.000 0.998 425 R CA -0.530 55.543 56.100 -0.044 0.000 0.895 425 R CB 2.206 32.562 30.300 0.093 0.000 1.195 425 R HN 0.408 nan 8.270 nan 0.000 0.450 426 V N 4.659 124.242 119.914 -0.553 0.000 2.259 426 V HA 0.294 4.434 4.120 0.033 0.000 0.267 426 V C 0.850 176.626 176.094 -0.529 0.000 1.051 426 V CA 0.052 61.865 62.300 -0.812 0.000 0.830 426 V CB 0.767 31.646 31.823 -1.574 0.000 1.080 426 V HN 0.943 nan 8.190 nan 0.000 0.467 427 A N 3.901 126.565 122.820 -0.260 0.000 2.147 427 A HA 0.226 4.566 4.320 0.033 0.000 0.211 427 A C 0.957 178.567 177.584 0.044 0.000 1.160 427 A CA 0.450 52.474 52.037 -0.023 0.000 0.781 427 A CB 0.067 19.062 19.000 -0.007 0.000 0.842 427 A HN 0.628 nan 8.150 nan 0.000 0.475 428 N N -0.646 117.898 118.700 -0.261 0.000 2.875 428 N HA 0.143 4.903 4.740 0.033 0.000 0.253 428 N C -3.011 172.199 175.510 -0.499 0.000 1.296 428 N CA -0.807 52.029 53.050 -0.356 0.000 0.816 428 N CB 1.679 40.102 38.487 -0.107 0.000 1.504 428 N HN -0.043 nan 8.380 nan 0.000 0.582 429 P HA 0.196 nan 4.420 nan 0.000 0.255 429 P C 0.433 177.582 177.300 -0.251 0.000 1.248 429 P CA 0.029 62.847 63.100 -0.470 0.000 0.807 429 P CB 0.146 31.534 31.700 -0.519 0.000 1.150 430 c N 0.859 119.303 118.600 -0.260 0.000 2.767 430 c HA 0.270 4.860 4.570 0.033 0.000 0.353 430 c C 1.459 175.510 174.090 -0.065 0.000 1.376 430 c CA -0.348 55.909 56.329 -0.119 0.000 2.284 430 c CB 0.401 42.864 42.510 -0.078 0.000 2.535 430 c HN 0.198 nan 8.230 nan 0.000 0.745 431 V N 0.000 119.894 119.914 -0.034 0.000 2.409 431 V HA 0.000 4.140 4.120 0.033 0.000 0.244 431 V CA 0.000 62.290 62.300 -0.017 0.000 1.235 431 V CB 0.000 31.819 31.823 -0.007 0.000 1.184 431 V HN 0.000 nan 8.190 nan 0.000 0.556