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 3o7p_1_A DATA FIRST_RESID 22 DATA SEQUENCE RSYIIPFALL CSLFFLWAVA NNLNDILLPQ FQQAFXXXXF QAGLIQSAFY DATA SEQUENCE FGYFIIPIPA GILMKKLSYK AGIITGLFLY ALGAALFWPA AEIMNYTLFL DATA SEQUENCE VGLFIIAAGL GCLETAANPF VTVLGPESSG HFRLNLAQTF ASFGAIIAVV DATA SEQUENCE FGQSLILSNV PHQSQDVLDK MSPEQLSAYK HSLVLSVQTP YMIIVAIVLL DATA SEQUENCE VALLIMLTKF PALQSDNHSD AKQGSFSASL SRLARIRHWR WAVLAQFCYV DATA SEQUENCE GAQTACWSYL IRYAVEEIPG MTAGFAANYL TGTMVCFFIG RFTGTWLISR DATA SEQUENCE FAPHKVLAAY ALIAMALCLI SAFAGGHVGL IALTLCSAFM SIQYPTIFSL DATA SEQUENCE GIKNLGQDTK YGSSFIVMTI IGGGIVTPVM GFVSDAAGNI PTAELIPALC DATA SEQUENCE FAVIFIFARF RSQT 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 22 R HA 0.000 nan 4.340 nan 0.000 0.208 22 R C 0.000 176.359 176.300 0.099 0.000 0.893 22 R CA 0.000 56.142 56.100 0.071 0.000 0.921 22 R CB 0.000 30.345 30.300 0.076 0.000 0.687 23 S N -0.146 115.647 115.700 0.154 0.000 2.575 23 S HA 0.144 4.613 4.470 -0.000 0.000 0.215 23 S C 1.074 175.682 174.600 0.013 0.000 0.966 23 S CA -0.106 58.126 58.200 0.053 0.000 0.911 23 S CB 0.034 63.229 63.200 -0.009 0.000 0.780 23 S HN 0.469 nan 8.310 nan 0.000 0.514 24 Y N 0.598 120.877 120.300 -0.035 0.000 2.490 24 Y HA 0.337 4.887 4.550 -0.000 0.000 0.281 24 Y C 1.273 177.163 175.900 -0.017 0.000 1.174 24 Y CA -0.188 57.888 58.100 -0.042 0.000 1.295 24 Y CB -0.117 38.298 38.460 -0.075 0.000 1.062 24 Y HN 0.283 nan 8.280 nan 0.000 0.522 25 I N -1.858 118.794 120.570 0.137 0.000 3.194 25 I HA -0.044 4.126 4.170 -0.000 0.000 0.271 25 I C 1.650 177.860 176.117 0.155 0.000 1.150 25 I CA 0.497 61.890 61.300 0.155 0.000 1.440 25 I CB -0.286 37.781 38.000 0.112 0.000 1.276 25 I HN -0.027 nan 8.210 nan 0.000 0.457 26 I N 1.342 121.945 120.570 0.055 0.000 2.226 26 I HA -0.131 4.038 4.170 -0.000 0.000 0.245 26 I C -0.553 175.541 176.117 -0.038 0.000 1.100 26 I CA 1.855 63.155 61.300 -0.001 0.000 1.374 26 I CB -1.716 36.259 38.000 -0.041 0.000 1.057 26 I HN 0.145 nan 8.210 nan 0.000 0.413 27 P HA -0.212 nan 4.420 nan 0.000 0.215 27 P C 1.900 179.255 177.300 0.092 0.000 1.153 27 P CA 1.355 64.376 63.100 -0.133 0.000 0.853 27 P CB -0.151 31.399 31.700 -0.250 0.000 0.788 28 F N 1.176 121.106 119.950 -0.033 0.000 2.043 28 F HA -0.239 4.287 4.527 -0.000 0.000 0.297 28 F C 2.232 177.977 175.800 -0.092 0.000 1.121 28 F CA 1.824 59.792 58.000 -0.054 0.000 1.199 28 F CB -1.227 37.744 39.000 -0.048 0.000 0.968 28 F HN -0.115 nan 8.300 nan 0.000 0.478 29 A N 0.553 123.220 122.820 -0.256 0.000 1.908 29 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 29 A C 2.191 179.580 177.584 -0.324 0.000 1.181 29 A CA 1.855 53.656 52.037 -0.393 0.000 0.627 29 A CB -1.485 17.426 19.000 -0.148 0.000 0.818 29 A HN 0.592 nan 8.150 nan 0.000 0.445 30 L N -0.415 120.712 121.223 -0.159 0.000 2.043 30 L HA -0.175 4.165 4.340 -0.000 0.000 0.212 30 L C 2.262 179.094 176.870 -0.064 0.000 1.075 30 L CA 1.887 56.677 54.840 -0.084 0.000 0.752 30 L CB -0.385 41.654 42.059 -0.034 0.000 0.891 30 L HN 0.417 nan 8.230 nan 0.000 0.432 31 L N -1.709 119.468 121.223 -0.076 0.000 2.056 31 L HA -0.250 4.090 4.340 -0.000 0.000 0.207 31 L C 2.580 179.361 176.870 -0.148 0.000 1.078 31 L CA 1.326 56.160 54.840 -0.011 0.000 0.749 31 L CB -0.476 41.597 42.059 0.023 0.000 0.901 31 L HN 0.446 nan 8.230 nan 0.000 0.433 32 C N -0.431 118.555 119.300 -0.524 0.000 2.413 32 C HA -0.189 4.270 4.460 -0.000 0.000 0.277 32 C C 3.251 177.980 174.990 -0.435 0.000 1.228 32 C CA 1.311 59.909 59.018 -0.700 0.000 1.731 32 C CB -0.951 25.971 27.740 -1.363 0.000 2.042 32 C HN 0.706 nan 8.230 nan 0.000 0.468 33 S N 0.798 116.233 115.700 -0.441 0.000 2.383 33 S HA -0.150 4.320 4.470 -0.000 0.000 0.229 33 S C 1.582 176.279 174.600 0.161 0.000 1.030 33 S CA 1.395 59.532 58.200 -0.105 0.000 1.002 33 S CB -0.542 62.600 63.200 -0.098 0.000 0.829 33 S HN 0.385 nan 8.310 nan 0.000 0.467 34 L N 0.190 121.498 121.223 0.142 0.000 2.240 34 L HA 0.345 4.685 4.340 -0.000 0.000 0.211 34 L C 2.156 179.243 176.870 0.361 0.000 1.106 34 L CA 1.049 56.030 54.840 0.234 0.000 0.793 34 L CB -1.111 41.068 42.059 0.200 0.000 0.927 34 L HN 0.306 nan 8.230 nan 0.000 0.446 35 F N -1.911 118.123 119.950 0.139 0.000 2.113 35 F HA -0.298 4.229 4.527 -0.000 0.000 0.297 35 F C 2.394 178.384 175.800 0.317 0.000 1.103 35 F CA 1.092 59.231 58.000 0.231 0.000 1.248 35 F CB -0.270 38.858 39.000 0.213 0.000 0.999 35 F HN 0.085 nan 8.300 nan 0.000 0.475 36 F N 0.744 120.930 119.950 0.394 0.000 2.025 36 F HA -0.287 4.240 4.527 -0.000 0.000 0.297 36 F C 1.962 177.857 175.800 0.158 0.000 1.132 36 F CA 1.653 59.836 58.000 0.304 0.000 1.191 36 F CB -0.789 38.417 39.000 0.342 0.000 0.963 36 F HN -0.202 nan 8.300 nan 0.000 0.481 37 L N 0.211 121.545 121.223 0.185 0.000 2.013 37 L HA -0.282 4.058 4.340 -0.000 0.000 0.212 37 L C 2.411 179.258 176.870 -0.039 0.000 1.073 37 L CA 2.142 56.998 54.840 0.027 0.000 0.753 37 L CB -1.701 40.461 42.059 0.172 0.000 0.890 37 L HN 0.589 nan 8.230 nan 0.000 0.432 38 W N 0.673 121.912 121.300 -0.102 0.000 2.318 38 W HA -0.301 4.359 4.660 -0.000 0.000 0.313 38 W C 2.261 178.658 176.519 -0.203 0.000 1.221 38 W CA 1.983 59.225 57.345 -0.172 0.000 1.266 38 W CB -0.195 29.142 29.460 -0.206 0.000 1.150 38 W HN 0.242 nan 8.180 nan 0.000 0.496 39 A N 0.516 123.158 122.820 -0.297 0.000 1.972 39 A HA -0.135 4.184 4.320 -0.000 0.000 0.219 39 A C 2.122 179.436 177.584 -0.449 0.000 1.169 39 A CA 2.197 54.007 52.037 -0.378 0.000 0.635 39 A CB -1.009 17.918 19.000 -0.122 0.000 0.810 39 A HN 0.184 nan 8.150 nan 0.000 0.446 40 V N -0.180 119.443 119.914 -0.485 0.000 2.244 40 V HA -0.210 3.910 4.120 -0.000 0.000 0.244 40 V C 3.063 178.956 176.094 -0.335 0.000 1.042 40 V CA 1.890 63.931 62.300 -0.432 0.000 1.006 40 V CB -1.468 30.080 31.823 -0.459 0.000 0.641 40 V HN 0.589 nan 8.190 nan 0.000 0.446 41 A N 0.698 123.315 122.820 -0.338 0.000 1.873 41 A HA -0.335 3.984 4.320 -0.000 0.000 0.218 41 A C 2.098 179.461 177.584 -0.367 0.000 1.193 41 A CA 2.668 54.539 52.037 -0.276 0.000 0.629 41 A CB -0.966 17.892 19.000 -0.237 0.000 0.826 41 A HN 0.620 nan 8.150 nan 0.000 0.447 42 N N -0.068 118.182 118.700 -0.751 0.000 2.142 42 N HA -0.145 4.595 4.740 -0.000 0.000 0.186 42 N C 1.499 176.830 175.510 -0.298 0.000 1.023 42 N CA 1.806 54.442 53.050 -0.691 0.000 0.852 42 N CB -0.474 37.256 38.487 -1.262 0.000 0.998 42 N HN 0.436 nan 8.380 nan 0.000 0.424 43 N N -0.005 118.512 118.700 -0.306 0.000 2.149 43 N HA -0.039 4.701 4.740 -0.000 0.000 0.188 43 N C 1.549 176.999 175.510 -0.100 0.000 1.019 43 N CA 0.728 53.673 53.050 -0.175 0.000 0.857 43 N CB -0.209 38.162 38.487 -0.194 0.000 0.997 43 N HN 0.299 nan 8.380 nan 0.000 0.426 44 L N 0.081 121.247 121.223 -0.096 0.000 2.017 44 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 44 L C 2.088 178.996 176.870 0.065 0.000 1.073 44 L CA 1.193 56.021 54.840 -0.020 0.000 0.745 44 L CB -0.648 41.409 42.059 -0.004 0.000 0.894 44 L HN 0.248 nan 8.230 nan 0.000 0.432 45 N N 0.419 119.192 118.700 0.122 0.000 2.094 45 N HA -0.245 4.495 4.740 -0.000 0.000 0.191 45 N C 1.417 177.031 175.510 0.173 0.000 1.023 45 N CA 1.907 55.113 53.050 0.259 0.000 0.857 45 N CB -0.125 38.508 38.487 0.242 0.000 1.013 45 N HN 0.211 nan 8.380 nan 0.000 0.426 46 D N -0.377 120.071 120.400 0.079 0.000 2.219 46 D HA -0.039 4.601 4.640 -0.000 0.000 0.205 46 D C 1.829 178.148 176.300 0.032 0.000 0.970 46 D CA 0.638 54.669 54.000 0.051 0.000 0.851 46 D CB -0.087 40.719 40.800 0.012 0.000 0.943 46 D HN 0.464 nan 8.370 nan 0.000 0.488 47 I N -0.011 120.567 120.570 0.013 0.000 2.500 47 I HA -0.119 4.051 4.170 -0.000 0.000 0.252 47 I C 2.072 178.184 176.117 -0.007 0.000 1.142 47 I CA 0.468 61.762 61.300 -0.009 0.000 1.451 47 I CB 0.095 38.077 38.000 -0.030 0.000 1.093 47 I HN -0.016 nan 8.210 nan 0.000 0.430 48 L N -0.252 120.976 121.223 0.007 0.000 2.209 48 L HA -0.106 4.234 4.340 -0.000 0.000 0.207 48 L C 2.463 179.370 176.870 0.063 0.000 1.094 48 L CA 0.380 55.198 54.840 -0.037 0.000 0.790 48 L CB -0.326 41.607 42.059 -0.210 0.000 0.932 48 L HN 0.265 nan 8.230 nan 0.000 0.447 49 L N 0.763 122.067 121.223 0.135 0.000 2.042 49 L HA -0.125 4.214 4.340 -0.000 0.000 0.210 49 L C 0.013 176.968 176.870 0.141 0.000 1.076 49 L CA 2.319 57.265 54.840 0.176 0.000 0.749 49 L CB -2.112 40.039 42.059 0.153 0.000 0.893 49 L HN 0.111 nan 8.230 nan 0.000 0.432 50 P HA -0.192 nan 4.420 nan 0.000 0.215 50 P C 1.531 178.856 177.300 0.043 0.000 1.157 50 P CA 1.344 64.475 63.100 0.051 0.000 0.874 50 P CB 0.122 31.832 31.700 0.016 0.000 0.790 51 Q N -1.675 118.137 119.800 0.020 0.000 1.993 51 Q HA -0.134 4.205 4.340 -0.000 0.000 0.202 51 Q C 1.994 177.996 176.000 0.003 0.000 0.984 51 Q CA 1.359 57.147 55.803 -0.025 0.000 0.837 51 Q CB -1.601 27.088 28.738 -0.082 0.000 0.902 51 Q HN 0.121 nan 8.270 nan 0.000 0.423 52 F N 1.726 121.605 119.950 -0.118 0.000 2.147 52 F HA -0.300 4.227 4.527 -0.000 0.000 0.301 52 F C 2.205 177.873 175.800 -0.220 0.000 1.084 52 F CA 2.228 60.138 58.000 -0.150 0.000 1.268 52 F CB -0.416 38.549 39.000 -0.057 0.000 1.009 52 F HN 0.305 nan 8.300 nan 0.000 0.486 53 Q N -0.825 119.056 119.800 0.136 0.000 2.204 53 Q HA -0.156 4.183 4.340 -0.000 0.000 0.198 53 Q C 2.036 178.088 176.000 0.087 0.000 0.946 53 Q CA 0.902 56.731 55.803 0.044 0.000 0.859 53 Q CB -0.931 27.853 28.738 0.077 0.000 0.946 53 Q HN 0.522 nan 8.270 nan 0.000 0.474 54 Q N 0.275 120.107 119.800 0.052 0.000 2.561 54 Q HA -0.057 4.282 4.340 -0.000 0.000 0.217 54 Q C 1.606 177.599 176.000 -0.011 0.000 0.980 54 Q CA 0.612 56.430 55.803 0.025 0.000 0.927 54 Q CB -0.114 28.625 28.738 0.002 0.000 0.980 54 Q HN 0.577 nan 8.270 nan 0.000 0.525 55 A N 0.026 122.827 122.820 -0.032 0.000 1.865 55 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 55 A C 0.520 177.895 177.584 -0.348 0.000 1.191 55 A CA 1.119 53.020 52.037 -0.226 0.000 0.623 55 A CB -0.202 18.644 19.000 -0.257 0.000 0.826 55 A HN 0.366 nan 8.150 nan 0.000 0.444 62 Q N 1.530 121.344 119.800 0.023 0.000 1.993 62 Q HA 0.051 4.391 4.340 -0.000 0.000 0.202 62 Q C 2.261 178.257 176.000 -0.008 0.000 0.984 62 Q CA 2.449 58.226 55.803 -0.043 0.000 0.837 62 Q CB -0.683 28.012 28.738 -0.072 0.000 0.902 62 Q HN 0.462 nan 8.270 nan 0.000 0.423 63 A N 0.284 123.110 122.820 0.010 0.000 2.123 63 A HA 0.157 4.477 4.320 -0.000 0.000 0.214 63 A C 2.169 179.755 177.584 0.004 0.000 1.152 63 A CA 0.921 52.980 52.037 0.035 0.000 0.728 63 A CB -0.797 18.228 19.000 0.043 0.000 0.814 63 A HN 0.427 nan 8.150 nan 0.000 0.464 64 G N 0.048 108.821 108.800 -0.045 0.000 2.422 64 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.218 64 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.218 64 G C 1.465 176.317 174.900 -0.081 0.000 1.146 64 G CA 0.911 45.977 45.100 -0.058 0.000 0.769 64 G HN 0.427 nan 8.290 nan 0.000 0.547 65 L N -0.281 120.847 121.223 -0.159 0.000 2.131 65 L HA -0.066 4.274 4.340 -0.000 0.000 0.210 65 L C 2.683 179.578 176.870 0.042 0.000 1.092 65 L CA 0.413 55.210 54.840 -0.071 0.000 0.759 65 L CB -0.224 41.767 42.059 -0.113 0.000 0.903 65 L HN 0.169 nan 8.230 nan 0.000 0.435 66 I N -0.747 119.847 120.570 0.041 0.000 2.233 66 I HA -0.271 3.899 4.170 -0.000 0.000 0.243 66 I C 2.516 178.648 176.117 0.026 0.000 1.093 66 I CA 1.164 62.480 61.300 0.027 0.000 1.380 66 I CB -0.443 37.604 38.000 0.078 0.000 1.067 66 I HN 0.157 nan 8.210 nan 0.000 0.413 67 Q N 0.499 120.341 119.800 0.071 0.000 2.181 67 Q HA -0.173 4.167 4.340 -0.000 0.000 0.205 67 Q C 2.388 178.585 176.000 0.328 0.000 0.980 67 Q CA 1.998 57.897 55.803 0.159 0.000 0.862 67 Q CB -0.305 28.505 28.738 0.121 0.000 0.905 67 Q HN 0.659 nan 8.270 nan 0.000 0.429 68 S N -1.051 114.754 115.700 0.175 0.000 2.406 68 S HA -0.011 4.459 4.470 -0.000 0.000 0.228 68 S C 2.086 176.766 174.600 0.134 0.000 1.020 68 S CA 0.653 58.976 58.200 0.205 0.000 0.965 68 S CB -0.510 62.755 63.200 0.109 0.000 0.798 68 S HN 0.412 nan 8.310 nan 0.000 0.488 69 A N 1.693 124.362 122.820 -0.252 0.000 1.986 69 A HA -0.065 4.255 4.320 -0.000 0.000 0.220 69 A C 1.908 179.490 177.584 -0.002 0.000 1.171 69 A CA 1.729 53.393 52.037 -0.623 0.000 0.640 69 A CB -1.129 17.357 19.000 -0.856 0.000 0.811 69 A HN 0.693 nan 8.150 nan 0.000 0.451 70 F N -0.832 119.149 119.950 0.052 0.000 2.084 70 F HA -0.180 4.347 4.527 -0.000 0.000 0.296 70 F C 2.113 178.060 175.800 0.246 0.000 1.111 70 F CA 1.800 59.911 58.000 0.185 0.000 1.224 70 F CB -0.550 38.545 39.000 0.159 0.000 0.991 70 F HN 0.268 nan 8.300 nan 0.000 0.471 71 Y N -0.591 119.675 120.300 -0.057 0.000 2.165 71 Y HA -0.249 4.301 4.550 -0.000 0.000 0.286 71 Y C 2.349 178.280 175.900 0.052 0.000 1.155 71 Y CA 1.818 59.844 58.100 -0.124 0.000 1.164 71 Y CB -0.924 37.562 38.460 0.044 0.000 0.978 71 Y HN 0.291 nan 8.280 nan 0.000 0.513 72 F N 0.562 120.593 119.950 0.134 0.000 2.000 72 F HA -0.202 4.325 4.527 -0.000 0.000 0.296 72 F C 2.420 178.231 175.800 0.018 0.000 1.159 72 F CA 1.937 60.003 58.000 0.111 0.000 1.183 72 F CB -1.078 37.997 39.000 0.126 0.000 0.959 72 F HN -0.020 nan 8.300 nan 0.000 0.490 73 G N -1.896 106.728 108.800 -0.294 0.000 2.475 73 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.220 73 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.220 73 G C 1.080 175.663 174.900 -0.529 0.000 1.125 73 G CA 1.130 45.903 45.100 -0.545 0.000 0.755 73 G HN 0.530 nan 8.290 nan 0.000 0.565 74 Y N -2.240 117.902 120.300 -0.263 0.000 2.507 74 Y HA 0.476 5.026 4.550 -0.000 0.000 0.254 74 Y C 1.305 177.130 175.900 -0.125 0.000 1.171 74 Y CA -0.913 57.037 58.100 -0.249 0.000 1.238 74 Y CB 0.411 38.593 38.460 -0.462 0.000 1.148 74 Y HN 0.205 nan 8.280 nan 0.000 0.525 75 F N -1.776 118.096 119.950 -0.130 0.000 2.570 75 F HA 0.133 4.660 4.527 -0.000 0.000 0.290 75 F C 1.555 177.305 175.800 -0.083 0.000 0.910 75 F CA 0.224 58.184 58.000 -0.067 0.000 1.119 75 F CB 0.211 39.212 39.000 0.002 0.000 0.922 75 F HN -0.240 nan 8.300 nan 0.000 0.703 76 I N 0.456 121.039 120.570 0.022 0.000 2.185 76 I HA -0.137 4.033 4.170 -0.000 0.000 0.235 76 I C 2.280 178.275 176.117 -0.203 0.000 1.069 76 I CA 1.130 62.392 61.300 -0.063 0.000 1.354 76 I CB -1.404 36.591 38.000 -0.008 0.000 1.093 76 I HN 0.012 nan 8.210 nan 0.000 0.411 77 I N 1.413 121.782 120.570 -0.335 0.000 2.181 77 I HA -0.223 3.947 4.170 -0.000 0.000 0.247 77 I C -0.514 175.486 176.117 -0.195 0.000 1.081 77 I CA 2.122 63.245 61.300 -0.296 0.000 1.340 77 I CB -2.119 35.643 38.000 -0.396 0.000 1.036 77 I HN 0.160 nan 8.210 nan 0.000 0.417 78 P HA -0.236 nan 4.420 nan 0.000 0.214 78 P C 2.174 179.409 177.300 -0.109 0.000 1.172 78 P CA 1.841 64.863 63.100 -0.130 0.000 0.925 78 P CB -0.015 31.586 31.700 -0.164 0.000 0.793 79 I N -0.559 119.906 120.570 -0.174 0.000 2.113 79 I HA -0.170 3.999 4.170 -0.000 0.000 0.238 79 I C -0.454 175.660 176.117 -0.005 0.000 1.070 79 I CA 2.114 63.359 61.300 -0.091 0.000 1.332 79 I CB -1.949 35.923 38.000 -0.213 0.000 1.044 79 I HN 0.072 nan 8.210 nan 0.000 0.402 80 P HA -0.231 nan 4.420 nan 0.000 0.215 80 P C 1.454 178.737 177.300 -0.028 0.000 1.157 80 P CA 2.304 65.371 63.100 -0.056 0.000 0.874 80 P CB -0.142 31.511 31.700 -0.079 0.000 0.790 81 A N 0.333 123.119 122.820 -0.057 0.000 1.917 81 A HA -0.155 4.165 4.320 -0.000 0.000 0.219 81 A C 2.645 180.202 177.584 -0.044 0.000 1.182 81 A CA 2.415 54.416 52.037 -0.061 0.000 0.633 81 A CB -1.986 16.965 19.000 -0.080 0.000 0.819 81 A HN 0.322 nan 8.150 nan 0.000 0.448 82 G N -0.252 108.557 108.800 0.015 0.000 2.432 82 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.219 82 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.219 82 G C 1.380 176.304 174.900 0.040 0.000 1.135 82 G CA 1.009 46.121 45.100 0.020 0.000 0.767 82 G HN 0.401 nan 8.290 nan 0.000 0.550 83 I N 0.754 121.470 120.570 0.244 0.000 2.226 83 I HA -0.093 4.077 4.170 -0.000 0.000 0.245 83 I C 2.652 178.777 176.117 0.013 0.000 1.100 83 I CA 0.667 62.116 61.300 0.248 0.000 1.374 83 I CB -1.039 37.046 38.000 0.142 0.000 1.057 83 I HN 0.127 nan 8.210 nan 0.000 0.413 84 L N 0.770 121.967 121.223 -0.042 0.000 1.989 84 L HA -0.241 4.099 4.340 -0.000 0.000 0.211 84 L C 2.664 179.425 176.870 -0.182 0.000 1.071 84 L CA 1.978 56.758 54.840 -0.100 0.000 0.749 84 L CB -0.468 41.535 42.059 -0.092 0.000 0.890 84 L HN 0.216 nan 8.230 nan 0.000 0.431 85 M N -0.480 118.983 119.600 -0.229 0.000 2.073 85 M HA -0.275 4.204 4.480 -0.000 0.000 0.258 85 M C 2.202 178.241 176.300 -0.435 0.000 1.070 85 M CA 1.863 56.949 55.300 -0.356 0.000 1.103 85 M CB -0.956 31.392 32.600 -0.419 0.000 1.321 85 M HN 0.119 nan 8.290 nan 0.000 0.405 86 K N 0.918 121.060 120.400 -0.430 0.000 2.103 86 K HA -0.048 4.272 4.320 -0.000 0.000 0.204 86 K C 1.761 178.103 176.600 -0.431 0.000 1.052 86 K CA 1.400 57.423 56.287 -0.440 0.000 0.945 86 K CB -0.066 32.160 32.500 -0.456 0.000 0.722 86 K HN 0.278 nan 8.250 nan 0.000 0.443 87 K N -0.446 119.765 120.400 -0.316 0.000 2.296 87 K HA 0.058 4.378 4.320 -0.000 0.000 0.200 87 K C 1.148 177.493 176.600 -0.424 0.000 1.048 87 K CA 0.559 56.667 56.287 -0.298 0.000 0.966 87 K CB 0.221 32.653 32.500 -0.113 0.000 0.754 87 K HN 0.092 nan 8.250 nan 0.000 0.466 88 L N -0.610 120.376 121.223 -0.395 0.000 2.666 88 L HA 0.187 4.527 4.340 -0.000 0.000 0.213 88 L C 0.665 177.343 176.870 -0.320 0.000 1.734 88 L CA -0.504 54.168 54.840 -0.280 0.000 2.979 88 L CB 0.331 42.307 42.059 -0.138 0.000 2.784 88 L HN 0.006 nan 8.230 nan 0.000 0.797 89 S N -2.943 112.642 115.700 -0.192 0.000 2.685 89 S HA 0.377 4.847 4.470 -0.000 0.000 0.282 89 S C 0.334 174.772 174.600 -0.269 0.000 1.159 89 S CA -0.663 57.438 58.200 -0.166 0.000 0.833 89 S CB 0.737 63.937 63.200 0.001 0.000 1.151 89 S HN 0.339 nan 8.310 nan 0.000 0.485 90 Y N 1.013 121.171 120.300 -0.237 0.000 2.097 90 Y HA -0.037 4.513 4.550 -0.000 0.000 0.282 90 Y C 2.741 178.269 175.900 -0.619 0.000 1.152 90 Y CA 2.051 59.894 58.100 -0.428 0.000 1.136 90 Y CB -0.329 37.791 38.460 -0.567 0.000 0.975 90 Y HN 0.750 nan 8.280 nan 0.000 0.498 91 K N 0.488 120.555 120.400 -0.554 0.000 2.074 91 K HA -0.271 4.048 4.320 -0.000 0.000 0.209 91 K C 2.251 178.676 176.600 -0.292 0.000 1.048 91 K CA 1.217 57.184 56.287 -0.533 0.000 0.926 91 K CB -0.391 31.874 32.500 -0.392 0.000 0.713 91 K HN 0.307 nan 8.250 nan 0.000 0.444 92 A N 0.921 123.615 122.820 -0.210 0.000 1.849 92 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 92 A C 2.411 179.895 177.584 -0.166 0.000 1.202 92 A CA 2.338 54.280 52.037 -0.158 0.000 0.629 92 A CB -1.687 17.230 19.000 -0.139 0.000 0.834 92 A HN 0.563 nan 8.150 nan 0.000 0.447 93 G N 0.061 108.748 108.800 -0.188 0.000 2.513 93 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.219 93 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.219 93 G C 1.388 176.186 174.900 -0.171 0.000 1.160 93 G CA 1.392 46.393 45.100 -0.165 0.000 0.767 93 G HN 0.392 nan 8.290 nan 0.000 0.571 94 I N 1.427 121.859 120.570 -0.231 0.000 2.099 94 I HA -0.152 4.017 4.170 -0.000 0.000 0.239 94 I C 2.879 178.887 176.117 -0.181 0.000 1.066 94 I CA 0.758 61.912 61.300 -0.244 0.000 1.324 94 I CB -1.314 36.495 38.000 -0.318 0.000 1.037 94 I HN 0.098 nan 8.210 nan 0.000 0.401 95 I N 0.958 121.438 120.570 -0.150 0.000 2.069 95 I HA -0.337 3.833 4.170 -0.000 0.000 0.237 95 I C 2.877 178.976 176.117 -0.030 0.000 1.053 95 I CA 2.446 63.697 61.300 -0.081 0.000 1.311 95 I CB -1.786 36.165 38.000 -0.082 0.000 1.030 95 I HN 0.366 nan 8.210 nan 0.000 0.398 96 T N 0.290 114.814 114.554 -0.050 0.000 2.720 96 T HA -0.134 4.216 4.350 -0.000 0.000 0.268 96 T C 2.029 176.784 174.700 0.092 0.000 1.037 96 T CA 1.917 64.030 62.100 0.021 0.000 1.144 96 T CB -0.881 67.970 68.868 -0.028 0.000 0.864 96 T HN 0.413 nan 8.240 nan 0.000 0.444 97 G N 1.346 110.133 108.800 -0.023 0.000 2.446 97 G HA2 -0.103 3.856 3.960 -0.000 0.000 0.217 97 G HA3 -0.103 3.856 3.960 -0.000 0.000 0.217 97 G C 1.611 176.482 174.900 -0.048 0.000 1.168 97 G CA 0.944 46.008 45.100 -0.061 0.000 0.771 97 G HN 0.553 nan 8.290 nan 0.000 0.551 98 L N -0.620 120.554 121.223 -0.081 0.000 2.191 98 L HA 0.031 4.371 4.340 -0.000 0.000 0.212 98 L C 2.459 179.387 176.870 0.096 0.000 1.103 98 L CA 0.768 55.578 54.840 -0.049 0.000 0.769 98 L CB -0.274 41.744 42.059 -0.068 0.000 0.908 98 L HN 0.318 nan 8.230 nan 0.000 0.438 99 F N 0.229 120.165 119.950 -0.025 0.000 2.098 99 F HA -0.166 4.361 4.527 -0.000 0.000 0.294 99 F C 2.055 177.857 175.800 0.004 0.000 1.107 99 F CA 1.353 59.347 58.000 -0.010 0.000 1.234 99 F CB -0.266 38.715 39.000 -0.030 0.000 1.002 99 F HN -0.158 nan 8.300 nan 0.000 0.472 100 L N -0.480 120.669 121.223 -0.123 0.000 2.043 100 L HA -0.278 4.062 4.340 -0.000 0.000 0.212 100 L C 2.356 179.100 176.870 -0.210 0.000 1.075 100 L CA 2.179 56.883 54.840 -0.227 0.000 0.752 100 L CB -1.278 40.769 42.059 -0.020 0.000 0.891 100 L HN 0.288 nan 8.230 nan 0.000 0.432 101 Y N 0.024 120.222 120.300 -0.170 0.000 2.114 101 Y HA -0.317 4.233 4.550 -0.000 0.000 0.284 101 Y C 2.467 178.247 175.900 -0.200 0.000 1.143 101 Y CA 1.634 59.669 58.100 -0.107 0.000 1.135 101 Y CB -0.294 38.219 38.460 0.089 0.000 0.980 101 Y HN 0.126 nan 8.280 nan 0.000 0.499 102 A N -0.216 122.608 122.820 0.006 0.000 1.933 102 A HA -0.177 4.142 4.320 -0.000 0.000 0.218 102 A C 2.124 179.518 177.584 -0.317 0.000 1.175 102 A CA 1.627 53.594 52.037 -0.116 0.000 0.628 102 A CB -1.167 17.817 19.000 -0.027 0.000 0.814 102 A HN 0.552 nan 8.150 nan 0.000 0.444 103 L N 0.261 121.216 121.223 -0.448 0.000 1.970 103 L HA -0.064 4.276 4.340 -0.000 0.000 0.212 103 L C 2.439 179.042 176.870 -0.446 0.000 1.071 103 L CA 2.583 57.136 54.840 -0.478 0.000 0.751 103 L CB -1.319 40.341 42.059 -0.665 0.000 0.889 103 L HN 0.297 nan 8.230 nan 0.000 0.432 104 G N -1.246 107.261 108.800 -0.489 0.000 2.442 104 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.219 104 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.219 104 G C 1.565 175.858 174.900 -1.012 0.000 1.141 104 G CA 1.048 45.787 45.100 -0.602 0.000 0.763 104 G HN 0.705 nan 8.290 nan 0.000 0.554 105 A N 1.177 123.427 122.820 -0.950 0.000 1.855 105 A HA 0.325 4.645 4.320 -0.000 0.000 0.215 105 A C 2.844 179.893 177.584 -0.892 0.000 1.191 105 A CA 2.218 53.568 52.037 -1.145 0.000 0.613 105 A CB -0.884 17.691 19.000 -0.708 0.000 0.829 105 A HN 0.814 nan 8.150 nan 0.000 0.442 106 A N -0.617 121.912 122.820 -0.486 0.000 1.933 106 A HA -0.033 4.286 4.320 -0.000 0.000 0.218 106 A C 1.840 179.344 177.584 -0.133 0.000 1.175 106 A CA 1.537 53.443 52.037 -0.218 0.000 0.628 106 A CB -0.550 18.349 19.000 -0.170 0.000 0.814 106 A HN 0.382 nan 8.150 nan 0.000 0.444 107 L N -0.909 120.147 121.223 -0.278 0.000 2.357 107 L HA -0.180 4.160 4.340 -0.000 0.000 0.220 107 L C 1.964 178.914 176.870 0.133 0.000 1.123 107 L CA 1.400 56.165 54.840 -0.125 0.000 0.782 107 L CB -1.569 40.351 42.059 -0.232 0.000 0.910 107 L HN 0.405 nan 8.230 nan 0.000 0.442 108 F N -2.382 117.580 119.950 0.020 0.000 2.187 108 F HA -0.183 4.344 4.527 -0.000 0.000 0.295 108 F C 2.211 178.266 175.800 0.424 0.000 1.091 108 F CA 0.105 58.221 58.000 0.192 0.000 1.308 108 F CB -1.287 37.780 39.000 0.112 0.000 1.030 108 F HN 0.235 nan 8.300 nan 0.000 0.487 109 W N 3.982 125.499 121.300 0.363 0.000 2.298 109 W HA -0.215 4.445 4.660 -0.000 0.000 0.328 109 W C -0.839 175.811 176.519 0.217 0.000 1.259 109 W CA 2.557 60.058 57.345 0.260 0.000 1.251 109 W CB -1.882 27.669 29.460 0.152 0.000 1.161 109 W HN -0.018 nan 8.180 nan 0.000 0.466 110 P HA -0.160 nan 4.420 nan 0.000 0.215 110 P C 1.664 179.136 177.300 0.287 0.000 1.157 110 P CA 3.131 66.453 63.100 0.370 0.000 0.863 110 P CB -0.436 31.434 31.700 0.284 0.000 0.787 111 A N 0.684 123.709 122.820 0.341 0.000 1.883 111 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 111 A C 2.438 180.252 177.584 0.383 0.000 1.186 111 A CA 2.575 54.829 52.037 0.362 0.000 0.624 111 A CB -1.635 17.636 19.000 0.451 0.000 0.822 111 A HN 0.256 nan 8.150 nan 0.000 0.444 112 A N 0.764 123.873 122.820 0.481 0.000 1.844 112 A HA -0.254 4.066 4.320 -0.000 0.000 0.214 112 A C 1.924 179.518 177.584 0.016 0.000 1.217 112 A CA 2.308 54.456 52.037 0.184 0.000 0.644 112 A CB -1.263 17.719 19.000 -0.029 0.000 0.850 112 A HN 0.777 nan 8.150 nan 0.000 0.456 113 E N -0.011 120.142 120.200 -0.079 0.000 2.233 113 E HA -0.259 4.091 4.350 -0.000 0.000 0.210 113 E C 1.541 178.216 176.600 0.124 0.000 1.046 113 E CA 1.928 58.297 56.400 -0.053 0.000 0.844 113 E CB -0.579 29.083 29.700 -0.063 0.000 0.741 113 E HN 0.717 nan 8.360 nan 0.000 0.465 114 I N -1.078 119.573 120.570 0.135 0.000 3.976 114 I HA 0.126 4.296 4.170 -0.000 0.000 0.337 114 I C -0.159 176.048 176.117 0.150 0.000 1.359 114 I CA -0.062 61.324 61.300 0.143 0.000 1.098 114 I CB 0.080 38.160 38.000 0.132 0.000 1.027 114 I HN 0.035 nan 8.210 nan 0.000 0.394 115 M N 1.396 121.097 119.600 0.167 0.000 2.297 115 M HA -0.224 4.256 4.480 -0.000 0.000 0.200 115 M C -0.466 175.943 176.300 0.182 0.000 0.414 115 M CA 0.577 55.996 55.300 0.198 0.000 0.449 115 M CB -3.317 29.411 32.600 0.214 0.000 1.436 115 M HN 0.551 nan 8.290 nan 0.000 0.912 116 N N 0.342 119.155 118.700 0.188 0.000 2.439 116 N HA 0.315 5.055 4.740 -0.000 0.000 0.249 116 N C 0.428 176.062 175.510 0.206 0.000 1.003 116 N CA -0.306 52.848 53.050 0.173 0.000 0.942 116 N CB 0.532 39.109 38.487 0.149 0.000 1.115 116 N HN 0.361 nan 8.380 nan 0.000 0.505 117 Y N 3.174 123.490 120.300 0.026 0.000 2.200 117 Y HA -0.197 4.352 4.550 -0.000 0.000 0.290 117 Y C 1.789 177.770 175.900 0.136 0.000 1.137 117 Y CA 2.232 60.339 58.100 0.013 0.000 1.163 117 Y CB -0.394 37.968 38.460 -0.163 0.000 0.988 117 Y HN 0.537 nan 8.280 nan 0.000 0.518 118 T N 0.271 114.843 114.554 0.031 0.000 2.720 118 T HA -0.259 4.091 4.350 -0.000 0.000 0.268 118 T C 1.735 176.394 174.700 -0.068 0.000 1.037 118 T CA 1.507 63.555 62.100 -0.086 0.000 1.144 118 T CB -0.923 67.985 68.868 0.066 0.000 0.864 118 T HN 0.330 nan 8.240 nan 0.000 0.444 119 L N 0.344 121.593 121.223 0.043 0.000 2.046 119 L HA 0.115 4.455 4.340 -0.000 0.000 0.208 119 L C 2.167 179.102 176.870 0.109 0.000 1.077 119 L CA 1.322 56.209 54.840 0.077 0.000 0.747 119 L CB -1.079 41.062 42.059 0.138 0.000 0.896 119 L HN 0.265 nan 8.230 nan 0.000 0.432 120 F N -0.694 119.242 119.950 -0.023 0.000 2.069 120 F HA -0.284 4.242 4.527 -0.000 0.000 0.298 120 F C 2.297 178.054 175.800 -0.072 0.000 1.113 120 F CA 1.981 59.945 58.000 -0.060 0.000 1.214 120 F CB -0.474 38.387 39.000 -0.232 0.000 0.978 120 F HN 0.125 nan 8.300 nan 0.000 0.474 121 L N -0.250 120.885 121.223 -0.147 0.000 2.042 121 L HA -0.185 4.155 4.340 -0.000 0.000 0.210 121 L C 2.239 179.110 176.870 0.002 0.000 1.076 121 L CA 1.520 56.264 54.840 -0.160 0.000 0.749 121 L CB -0.772 41.058 42.059 -0.382 0.000 0.893 121 L HN 0.098 nan 8.230 nan 0.000 0.432 122 V N -0.278 119.585 119.914 -0.085 0.000 2.307 122 V HA -0.200 3.919 4.120 -0.000 0.000 0.245 122 V C 2.555 178.609 176.094 -0.067 0.000 1.045 122 V CA 1.827 64.076 62.300 -0.085 0.000 1.024 122 V CB -1.266 30.489 31.823 -0.113 0.000 0.651 122 V HN 0.643 nan 8.190 nan 0.000 0.449 123 G N -0.342 108.378 108.800 -0.134 0.000 2.440 123 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.218 123 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.218 123 G C 1.560 176.267 174.900 -0.320 0.000 1.154 123 G CA 1.238 46.148 45.100 -0.315 0.000 0.767 123 G HN 0.419 nan 8.290 nan 0.000 0.552 124 L N -0.112 121.003 121.223 -0.180 0.000 1.955 124 L HA 0.056 4.395 4.340 -0.000 0.000 0.213 124 L C 2.615 179.437 176.870 -0.080 0.000 1.072 124 L CA 1.781 56.523 54.840 -0.163 0.000 0.755 124 L CB -0.875 41.043 42.059 -0.235 0.000 0.888 124 L HN 0.225 nan 8.230 nan 0.000 0.432 125 F N -0.445 119.438 119.950 -0.112 0.000 2.154 125 F HA -0.294 4.233 4.527 -0.000 0.000 0.301 125 F C 2.359 178.217 175.800 0.098 0.000 1.087 125 F CA 1.808 59.807 58.000 -0.002 0.000 1.274 125 F CB -0.403 38.479 39.000 -0.197 0.000 1.009 125 F HN 0.124 nan 8.300 nan 0.000 0.485 126 I N -0.305 120.343 120.570 0.130 0.000 2.202 126 I HA -0.296 3.874 4.170 -0.000 0.000 0.242 126 I C 2.263 178.338 176.117 -0.070 0.000 1.091 126 I CA 1.301 62.617 61.300 0.025 0.000 1.368 126 I CB -0.485 37.448 38.000 -0.112 0.000 1.058 126 I HN 0.068 nan 8.210 nan 0.000 0.410 127 I N 1.082 121.527 120.570 -0.209 0.000 2.194 127 I HA -0.336 3.834 4.170 -0.000 0.000 0.246 127 I C 2.833 178.904 176.117 -0.076 0.000 1.093 127 I CA 1.466 62.593 61.300 -0.289 0.000 1.355 127 I CB -0.581 37.114 38.000 -0.509 0.000 1.046 127 I HN 0.204 nan 8.210 nan 0.000 0.413 128 A N 0.792 123.586 122.820 -0.045 0.000 1.908 128 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 128 A C 2.545 180.032 177.584 -0.161 0.000 1.181 128 A CA 2.085 54.091 52.037 -0.051 0.000 0.627 128 A CB -0.847 18.162 19.000 0.015 0.000 0.818 128 A HN 0.459 nan 8.150 nan 0.000 0.445 129 A N -0.692 122.073 122.820 -0.091 0.000 1.969 129 A HA 0.196 4.515 4.320 -0.000 0.000 0.218 129 A C 2.371 179.870 177.584 -0.143 0.000 1.169 129 A CA 1.693 53.602 52.037 -0.212 0.000 0.635 129 A CB -1.261 17.680 19.000 -0.098 0.000 0.810 129 A HN 0.742 nan 8.150 nan 0.000 0.445 130 G N -0.181 108.594 108.800 -0.041 0.000 2.432 130 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.219 130 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.219 130 G C 1.516 176.414 174.900 -0.004 0.000 1.135 130 G CA 1.079 46.192 45.100 0.021 0.000 0.767 130 G HN 0.439 nan 8.290 nan 0.000 0.550 131 L N 0.457 121.683 121.223 0.006 0.000 2.049 131 L HA 0.136 4.475 4.340 -0.000 0.000 0.203 131 L C 3.204 179.941 176.870 -0.222 0.000 1.074 131 L CA 0.974 55.799 54.840 -0.025 0.000 0.749 131 L CB -0.817 41.239 42.059 -0.005 0.000 0.907 131 L HN 0.258 nan 8.230 nan 0.000 0.439 132 G N -0.858 107.640 108.800 -0.504 0.000 2.475 132 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.220 132 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.220 132 G C 1.774 176.574 174.900 -0.166 0.000 1.125 132 G CA 1.030 45.882 45.100 -0.413 0.000 0.755 132 G HN 0.452 nan 8.290 nan 0.000 0.565 133 C N 0.150 119.349 119.300 -0.168 0.000 2.496 133 C HA 0.104 4.564 4.460 -0.000 0.000 0.281 133 C C 2.974 177.898 174.990 -0.109 0.000 1.250 133 C CA 0.974 59.919 59.018 -0.121 0.000 1.717 133 C CB -1.124 26.549 27.740 -0.112 0.000 2.082 133 C HN 0.436 nan 8.230 nan 0.000 0.472 134 L N 0.702 121.826 121.223 -0.165 0.000 2.079 134 L HA -0.146 4.193 4.340 -0.000 0.000 0.210 134 L C 2.850 179.655 176.870 -0.108 0.000 1.081 134 L CA 1.522 56.223 54.840 -0.231 0.000 0.752 134 L CB -0.896 40.872 42.059 -0.485 0.000 0.896 134 L HN 0.458 nan 8.230 nan 0.000 0.433 135 E N 0.088 120.288 120.200 -0.000 0.000 2.017 135 E HA -0.209 4.141 4.350 -0.000 0.000 0.193 135 E C 2.294 179.010 176.600 0.195 0.000 0.997 135 E CA 2.114 58.610 56.400 0.160 0.000 0.804 135 E CB -0.366 29.536 29.700 0.337 0.000 0.757 135 E HN 0.534 nan 8.360 nan 0.000 0.448 136 T N -1.250 113.405 114.554 0.167 0.000 3.007 136 T HA 0.047 4.397 4.350 -0.000 0.000 0.270 136 T C 1.740 176.535 174.700 0.158 0.000 1.107 136 T CA 1.305 63.527 62.100 0.203 0.000 1.118 136 T CB 0.102 69.043 68.868 0.121 0.000 0.889 136 T HN 0.120 nan 8.240 nan 0.000 0.506 137 A N 1.017 123.882 122.820 0.076 0.000 1.909 137 A HA 0.745 5.065 4.320 -0.000 0.000 0.209 137 A C 2.707 180.351 177.584 0.101 0.000 1.247 137 A CA 0.853 52.926 52.037 0.061 0.000 0.660 137 A CB -1.113 17.848 19.000 -0.064 0.000 0.910 137 A HN 0.655 nan 8.150 nan 0.000 0.465 138 A N 0.417 123.265 122.820 0.047 0.000 1.968 138 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 138 A C 1.876 179.594 177.584 0.222 0.000 1.169 138 A CA 1.469 53.586 52.037 0.133 0.000 0.638 138 A CB -0.535 18.489 19.000 0.040 0.000 0.812 138 A HN 0.526 nan 8.150 nan 0.000 0.446 139 N N 0.259 119.006 118.700 0.079 0.000 2.062 139 N HA -0.090 4.650 4.740 -0.000 0.000 0.191 139 N C -0.797 174.610 175.510 -0.171 0.000 1.042 139 N CA 1.809 54.781 53.050 -0.130 0.000 0.845 139 N CB -1.470 36.633 38.487 -0.640 0.000 1.024 139 N HN 0.363 nan 8.380 nan 0.000 0.424 140 P HA -0.123 nan 4.420 nan 0.000 0.218 140 P C 1.531 178.769 177.300 -0.105 0.000 1.149 140 P CA 0.838 63.950 63.100 0.020 0.000 0.817 140 P CB -0.174 31.692 31.700 0.277 0.000 0.785 141 F N 1.210 120.978 119.950 -0.302 0.000 2.126 141 F HA -0.176 4.350 4.527 -0.000 0.000 0.299 141 F C 2.192 177.824 175.800 -0.280 0.000 1.096 141 F CA 1.238 58.931 58.000 -0.512 0.000 1.255 141 F CB -0.994 37.807 39.000 -0.331 0.000 0.997 141 F HN -0.295 nan 8.300 nan 0.000 0.479 142 V N -0.222 119.626 119.914 -0.110 0.000 2.307 142 V HA -0.283 3.837 4.120 -0.000 0.000 0.245 142 V C 2.623 178.616 176.094 -0.169 0.000 1.045 142 V CA 2.236 64.459 62.300 -0.129 0.000 1.024 142 V CB -1.404 30.374 31.823 -0.075 0.000 0.651 142 V HN 0.569 nan 8.190 nan 0.000 0.449 143 T N -1.846 112.618 114.554 -0.151 0.000 2.881 143 T HA -0.127 4.222 4.350 -0.000 0.000 0.270 143 T C 1.655 176.249 174.700 -0.177 0.000 1.068 143 T CA 1.740 63.748 62.100 -0.154 0.000 1.131 143 T CB -0.279 68.517 68.868 -0.119 0.000 0.871 143 T HN 0.244 nan 8.240 nan 0.000 0.479 144 V N 0.864 120.652 119.914 -0.210 0.000 3.235 144 V HA 0.308 4.428 4.120 -0.000 0.000 0.259 144 V C 1.803 177.766 176.094 -0.220 0.000 1.133 144 V CA 0.264 62.444 62.300 -0.201 0.000 1.128 144 V CB -0.341 31.346 31.823 -0.226 0.000 0.757 144 V HN 0.516 nan 8.190 nan 0.000 0.469 145 L N 1.900 122.941 121.223 -0.303 0.000 3.053 145 L HA 0.351 4.690 4.340 -0.000 0.000 0.244 145 L C 0.600 177.435 176.870 -0.057 0.000 1.430 145 L CA 1.110 55.791 54.840 -0.266 0.000 1.143 145 L CB -1.424 40.444 42.059 -0.319 0.000 1.539 145 L HN 0.479 nan 8.230 nan 0.000 0.442 146 G N 0.904 109.725 108.800 0.035 0.000 2.350 146 G HA2 -0.022 3.937 3.960 -0.000 0.000 0.282 146 G HA3 -0.022 3.937 3.960 -0.000 0.000 0.282 146 G C -3.049 171.775 174.900 -0.127 0.000 1.314 146 G CA -1.044 44.050 45.100 -0.010 0.000 0.915 146 G HN 0.087 nan 8.290 nan 0.000 0.499 147 P HA 0.189 nan 4.420 nan 0.000 0.261 147 P C 0.767 177.994 177.300 -0.121 0.000 1.173 147 P CA 0.638 63.642 63.100 -0.160 0.000 0.760 147 P CB 1.026 32.627 31.700 -0.166 0.000 0.783 148 E N 3.811 123.953 120.200 -0.096 0.000 2.097 148 E HA -0.262 4.088 4.350 -0.000 0.000 0.196 148 E C 1.612 178.165 176.600 -0.078 0.000 1.000 148 E CA 2.429 58.778 56.400 -0.085 0.000 0.804 148 E CB -0.663 29.006 29.700 -0.051 0.000 0.740 148 E HN 0.421 nan 8.360 nan 0.000 0.454 149 S N -0.202 115.474 115.700 -0.040 0.000 2.368 149 S HA -0.179 4.291 4.470 -0.000 0.000 0.225 149 S C 2.037 176.680 174.600 0.072 0.000 1.030 149 S CA 1.255 59.470 58.200 0.025 0.000 0.999 149 S CB -0.803 62.387 63.200 -0.017 0.000 0.844 149 S HN 0.370 nan 8.310 nan 0.000 0.459 150 S N 0.682 116.373 115.700 -0.015 0.000 2.634 150 S HA 0.409 4.879 4.470 -0.000 0.000 0.221 150 S C 1.699 176.298 174.600 -0.001 0.000 0.952 150 S CA 0.063 58.271 58.200 0.014 0.000 0.930 150 S CB -0.261 62.901 63.200 -0.064 0.000 0.780 150 S HN 0.610 nan 8.310 nan 0.000 0.498 151 G N 2.275 111.000 108.800 -0.124 0.000 2.440 151 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.218 151 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.218 151 G C 1.416 176.210 174.900 -0.177 0.000 1.154 151 G CA 0.870 45.840 45.100 -0.218 0.000 0.767 151 G HN 0.656 nan 8.290 nan 0.000 0.552 152 H N -0.488 118.611 119.070 0.049 0.000 2.293 152 H HA -0.087 4.469 4.556 -0.000 0.000 0.300 152 H C 2.351 177.728 175.328 0.081 0.000 1.082 152 H CA 1.336 57.427 56.048 0.070 0.000 1.308 152 H CB -0.759 29.050 29.762 0.079 0.000 1.375 152 H HN 0.416 nan 8.280 nan 0.000 0.495 153 F N 2.414 122.425 119.950 0.101 0.000 2.161 153 F HA -0.163 4.364 4.527 -0.000 0.000 0.300 153 F C 2.684 178.509 175.800 0.041 0.000 1.089 153 F CA 1.105 59.127 58.000 0.036 0.000 1.282 153 F CB -0.155 38.836 39.000 -0.014 0.000 1.010 153 F HN -0.129 nan 8.300 nan 0.000 0.485 154 R N 0.024 120.523 120.500 -0.002 0.000 2.103 154 R HA -0.231 4.109 4.340 -0.000 0.000 0.234 154 R C 2.201 178.496 176.300 -0.007 0.000 1.132 154 R CA 2.031 58.066 56.100 -0.107 0.000 0.925 154 R CB -1.206 28.951 30.300 -0.238 0.000 0.842 154 R HN 0.368 nan 8.270 nan 0.000 0.430 155 L N 1.897 123.102 121.223 -0.030 0.000 2.043 155 L HA -0.233 4.107 4.340 -0.000 0.000 0.212 155 L C 1.713 178.586 176.870 0.005 0.000 1.075 155 L CA 1.824 56.653 54.840 -0.019 0.000 0.752 155 L CB -0.854 41.202 42.059 -0.006 0.000 0.891 155 L HN 0.226 nan 8.230 nan 0.000 0.432 156 N N -0.591 118.094 118.700 -0.026 0.000 2.104 156 N HA -0.197 4.542 4.740 -0.000 0.000 0.190 156 N C 1.817 177.279 175.510 -0.081 0.000 1.024 156 N CA 1.666 54.701 53.050 -0.026 0.000 0.853 156 N CB -0.268 38.187 38.487 -0.053 0.000 1.008 156 N HN 0.304 nan 8.380 nan 0.000 0.424 157 L N 1.566 122.636 121.223 -0.255 0.000 2.046 157 L HA -0.032 4.308 4.340 -0.000 0.000 0.208 157 L C 2.225 179.159 176.870 0.105 0.000 1.077 157 L CA 1.516 56.241 54.840 -0.191 0.000 0.747 157 L CB -1.064 40.786 42.059 -0.348 0.000 0.896 157 L HN 0.063 nan 8.230 nan 0.000 0.432 158 A N -1.300 121.518 122.820 -0.003 0.000 1.933 158 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 158 A C 2.133 179.891 177.584 0.289 0.000 1.175 158 A CA 1.402 53.357 52.037 -0.137 0.000 0.628 158 A CB -0.466 18.053 19.000 -0.801 0.000 0.814 158 A HN 0.571 nan 8.150 nan 0.000 0.444 159 Q N -0.356 119.643 119.800 0.332 0.000 2.084 159 Q HA -0.118 4.221 4.340 -0.000 0.000 0.202 159 Q C 2.216 178.497 176.000 0.468 0.000 0.978 159 Q CA 2.073 58.170 55.803 0.491 0.000 0.844 159 Q CB -1.182 27.796 28.738 0.398 0.000 0.898 159 Q HN 0.676 nan 8.270 nan 0.000 0.426 160 T N 0.938 115.687 114.554 0.325 0.000 2.759 160 T HA -0.123 4.227 4.350 -0.000 0.000 0.269 160 T C 1.613 176.602 174.700 0.482 0.000 1.042 160 T CA 1.072 63.355 62.100 0.304 0.000 1.140 160 T CB -0.359 68.509 68.868 0.001 0.000 0.864 160 T HN 0.127 nan 8.240 nan 0.000 0.455 161 F N 1.657 121.867 119.950 0.432 0.000 2.134 161 F HA 0.006 4.533 4.527 -0.000 0.000 0.299 161 F C 2.648 178.838 175.800 0.651 0.000 1.097 161 F CA 0.890 59.224 58.000 0.558 0.000 1.264 161 F CB -0.842 38.383 39.000 0.375 0.000 1.001 161 F HN 0.123 nan 8.300 nan 0.000 0.479 162 A N -0.992 122.270 122.820 0.736 0.000 1.865 162 A HA -0.265 4.055 4.320 -0.000 0.000 0.217 162 A C 2.381 180.191 177.584 0.377 0.000 1.191 162 A CA 2.244 54.581 52.037 0.500 0.000 0.623 162 A CB -1.454 17.838 19.000 0.487 0.000 0.826 162 A HN 0.330 nan 8.150 nan 0.000 0.444 163 S N -1.549 114.447 115.700 0.493 0.000 2.365 163 S HA -0.191 4.279 4.470 -0.000 0.000 0.225 163 S C 1.757 176.579 174.600 0.370 0.000 1.039 163 S CA 1.823 60.326 58.200 0.505 0.000 1.033 163 S CB -0.536 63.115 63.200 0.752 0.000 0.887 163 S HN 0.604 nan 8.310 nan 0.000 0.447 164 F N 2.367 122.471 119.950 0.257 0.000 2.171 164 F HA 0.081 4.608 4.527 -0.000 0.000 0.300 164 F C 2.182 178.030 175.800 0.079 0.000 1.090 164 F CA 1.285 59.203 58.000 -0.136 0.000 1.293 164 F CB -1.243 37.824 39.000 0.111 0.000 1.013 164 F HN 0.232 nan 8.300 nan 0.000 0.486 165 G N -0.004 108.754 108.800 -0.070 0.000 2.459 165 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.217 165 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.217 165 G C 1.904 176.490 174.900 -0.523 0.000 1.183 165 G CA 1.205 45.779 45.100 -0.877 0.000 0.776 165 G HN 0.620 nan 8.290 nan 0.000 0.552 166 A N 0.794 123.463 122.820 -0.251 0.000 1.940 166 A HA -0.023 4.297 4.320 -0.000 0.000 0.219 166 A C 2.362 179.827 177.584 -0.198 0.000 1.176 166 A CA 1.451 53.375 52.037 -0.189 0.000 0.631 166 A CB -0.309 18.644 19.000 -0.078 0.000 0.814 166 A HN 0.293 nan 8.150 nan 0.000 0.446 167 I N 0.232 120.683 120.570 -0.198 0.000 2.052 167 I HA -0.265 3.905 4.170 -0.000 0.000 0.235 167 I C 2.501 178.450 176.117 -0.280 0.000 1.046 167 I CA 1.353 62.524 61.300 -0.215 0.000 1.308 167 I CB -1.258 36.592 38.000 -0.251 0.000 1.031 167 I HN 0.233 nan 8.210 nan 0.000 0.395 168 I N 1.041 121.360 120.570 -0.419 0.000 2.091 168 I HA -0.374 3.796 4.170 -0.000 0.000 0.240 168 I C 2.830 178.768 176.117 -0.297 0.000 1.046 168 I CA 2.024 63.038 61.300 -0.476 0.000 1.306 168 I CB -1.416 36.269 38.000 -0.526 0.000 1.018 168 I HN 0.242 nan 8.210 nan 0.000 0.404 169 A N 0.607 123.255 122.820 -0.287 0.000 1.870 169 A HA -0.264 4.056 4.320 -0.000 0.000 0.219 169 A C 2.459 179.973 177.584 -0.117 0.000 1.224 169 A CA 3.224 55.146 52.037 -0.192 0.000 0.650 169 A CB -1.267 17.603 19.000 -0.217 0.000 0.836 169 A HN 0.288 nan 8.150 nan 0.000 0.454 170 V N -0.633 119.205 119.914 -0.126 0.000 2.216 170 V HA -0.258 3.862 4.120 -0.000 0.000 0.242 170 V C 2.414 178.479 176.094 -0.048 0.000 1.042 170 V CA 1.905 64.153 62.300 -0.086 0.000 0.991 170 V CB -1.449 30.314 31.823 -0.099 0.000 0.633 170 V HN 0.396 nan 8.190 nan 0.000 0.449 171 V N -0.312 119.559 119.914 -0.071 0.000 2.265 171 V HA -0.340 3.780 4.120 -0.000 0.000 0.247 171 V C 2.141 178.327 176.094 0.153 0.000 1.024 171 V CA 2.736 65.029 62.300 -0.010 0.000 1.038 171 V CB -0.901 30.844 31.823 -0.130 0.000 0.675 171 V HN 0.376 nan 8.190 nan 0.000 0.485 172 F N 1.247 121.169 119.950 -0.046 0.000 1.997 172 F HA -0.082 4.445 4.527 -0.000 0.000 0.296 172 F C 2.546 178.323 175.800 -0.038 0.000 1.160 172 F CA 1.609 59.589 58.000 -0.034 0.000 1.176 172 F CB -1.859 37.124 39.000 -0.029 0.000 0.964 172 F HN 0.271 nan 8.300 nan 0.000 0.484 173 G N -0.976 107.927 108.800 0.172 0.000 2.476 173 G HA2 -0.324 3.635 3.960 -0.000 0.000 0.218 173 G HA3 -0.324 3.635 3.960 -0.000 0.000 0.218 173 G C 1.587 176.504 174.900 0.028 0.000 1.164 173 G CA 0.985 46.125 45.100 0.066 0.000 0.768 173 G HN 0.422 nan 8.290 nan 0.000 0.560 174 Q N 0.697 120.507 119.800 0.016 0.000 1.956 174 Q HA -0.220 4.120 4.340 -0.000 0.000 0.208 174 Q C 2.976 178.978 176.000 0.003 0.000 0.998 174 Q CA 2.873 58.673 55.803 -0.005 0.000 0.855 174 Q CB -0.300 28.428 28.738 -0.016 0.000 0.928 174 Q HN 0.594 nan 8.270 nan 0.000 0.418 175 S N 0.539 116.250 115.700 0.018 0.000 2.353 175 S HA -0.117 4.353 4.470 -0.000 0.000 0.222 175 S C 1.483 176.090 174.600 0.011 0.000 1.035 175 S CA 0.855 59.066 58.200 0.018 0.000 1.025 175 S CB -0.410 62.805 63.200 0.026 0.000 0.902 175 S HN 0.407 nan 8.310 nan 0.000 0.440 176 L N 1.324 122.553 121.223 0.010 0.000 2.930 176 L HA 0.391 4.730 4.340 -0.000 0.000 0.250 176 L C 0.508 177.374 176.870 -0.006 0.000 1.320 176 L CA 0.690 55.525 54.840 -0.008 0.000 1.163 176 L CB -0.798 41.243 42.059 -0.032 0.000 1.542 176 L HN 0.405 nan 8.230 nan 0.000 0.428 177 I N -1.597 118.968 120.570 -0.008 0.000 4.592 177 I HA -0.005 4.165 4.170 -0.000 0.000 0.404 177 I C 1.110 177.208 176.117 -0.030 0.000 1.013 177 I CA 0.462 61.750 61.300 -0.020 0.000 1.376 177 I CB 0.459 38.446 38.000 -0.022 0.000 2.588 177 I HN 0.048 nan 8.210 nan 0.000 0.794 178 L N -0.180 121.033 121.223 -0.018 0.000 2.628 178 L HA 0.258 4.598 4.340 -0.000 0.000 0.229 178 L C 1.136 178.018 176.870 0.020 0.000 1.137 178 L CA 0.320 55.148 54.840 -0.020 0.000 0.909 178 L CB -0.107 41.938 42.059 -0.023 0.000 1.137 178 L HN 0.033 nan 8.230 nan 0.000 0.470 179 S N -0.095 115.617 115.700 0.020 0.000 2.577 179 S HA 0.107 4.577 4.470 -0.000 0.000 0.219 179 S C 1.118 175.729 174.600 0.018 0.000 0.962 179 S CA -0.005 58.217 58.200 0.037 0.000 0.921 179 S CB 0.015 63.225 63.200 0.018 0.000 0.789 179 S HN 0.447 nan 8.310 nan 0.000 0.497 180 N N 0.724 119.419 118.700 -0.007 0.000 2.184 180 N HA 0.155 4.894 4.740 -0.000 0.000 0.206 180 N C -0.300 175.181 175.510 -0.049 0.000 1.151 180 N CA 0.122 53.155 53.050 -0.029 0.000 0.878 180 N CB 0.685 39.144 38.487 -0.046 0.000 1.014 180 N HN 0.131 nan 8.380 nan 0.000 0.512 181 V N 3.217 123.107 119.914 -0.040 0.000 2.406 181 V HA 0.267 4.387 4.120 -0.000 0.000 0.272 181 V C -2.073 174.013 176.094 -0.012 0.000 1.043 181 V CA -1.556 60.699 62.300 -0.076 0.000 0.915 181 V CB 1.318 33.072 31.823 -0.115 0.000 0.988 181 V HN -0.070 nan 8.190 nan 0.000 0.466 182 P HA 0.057 nan 4.420 nan 0.000 0.259 182 P C -0.031 177.365 177.300 0.160 0.000 1.211 182 P CA 0.212 63.374 63.100 0.103 0.000 0.810 182 P CB -0.149 31.598 31.700 0.078 0.000 0.815 183 H N 3.916 123.025 119.070 0.065 0.000 2.886 183 H HA 0.134 4.690 4.556 -0.000 0.000 0.329 183 H C 0.400 175.756 175.328 0.047 0.000 1.044 183 H CA 0.510 56.586 56.048 0.046 0.000 1.456 183 H CB 0.655 30.426 29.762 0.015 0.000 1.464 183 H HN 0.376 nan 8.280 nan 0.000 0.573 184 Q N 2.275 122.130 119.800 0.092 0.000 2.334 184 Q HA 0.101 4.440 4.340 -0.000 0.000 0.249 184 Q C -0.595 175.373 176.000 -0.053 0.000 0.909 184 Q CA -0.614 55.170 55.803 -0.032 0.000 0.823 184 Q CB 2.033 30.625 28.738 -0.245 0.000 1.353 184 Q HN 0.770 nan 8.270 nan 0.000 0.433 185 S N 1.273 116.947 115.700 -0.044 0.000 2.537 185 S HA 0.027 4.497 4.470 -0.000 0.000 0.286 185 S C 1.121 175.674 174.600 -0.079 0.000 1.299 185 S CA -0.204 57.970 58.200 -0.044 0.000 1.067 185 S CB 1.334 64.515 63.200 -0.032 0.000 0.864 185 S HN 0.509 nan 8.310 nan 0.000 0.494 186 Q N 1.385 121.147 119.800 -0.063 0.000 2.197 186 Q HA -0.169 4.171 4.340 -0.000 0.000 0.207 186 Q C 1.537 177.492 176.000 -0.074 0.000 0.984 186 Q CA 1.922 57.681 55.803 -0.072 0.000 0.869 186 Q CB -0.514 28.196 28.738 -0.046 0.000 0.906 186 Q HN 0.930 nan 8.270 nan 0.000 0.426 187 D N -1.106 119.259 120.400 -0.058 0.000 2.355 187 D HA -0.209 4.431 4.640 -0.000 0.000 0.192 187 D C 1.583 177.841 176.300 -0.071 0.000 1.014 187 D CA 2.162 56.130 54.000 -0.053 0.000 0.862 187 D CB -0.330 40.445 40.800 -0.042 0.000 0.986 187 D HN 0.166 nan 8.370 nan 0.000 0.456 188 V N 0.631 120.490 119.914 -0.091 0.000 2.237 188 V HA -0.215 3.905 4.120 -0.000 0.000 0.245 188 V C 2.905 178.907 176.094 -0.153 0.000 1.046 188 V CA 1.592 63.822 62.300 -0.116 0.000 1.007 188 V CB -0.736 31.004 31.823 -0.138 0.000 0.638 188 V HN 0.293 nan 8.190 nan 0.000 0.445 189 L N 0.308 121.404 121.223 -0.211 0.000 2.085 189 L HA -0.317 4.023 4.340 -0.000 0.000 0.218 189 L C 2.427 179.210 176.870 -0.145 0.000 1.080 189 L CA 1.982 56.677 54.840 -0.242 0.000 0.776 189 L CB -0.794 41.123 42.059 -0.237 0.000 0.891 189 L HN 0.455 nan 8.230 nan 0.000 0.437 190 D N -0.450 119.889 120.400 -0.103 0.000 2.123 190 D HA -0.154 4.485 4.640 -0.000 0.000 0.200 190 D C 2.176 178.438 176.300 -0.063 0.000 0.976 190 D CA 1.124 55.083 54.000 -0.070 0.000 0.831 190 D CB -0.082 40.687 40.800 -0.052 0.000 0.974 190 D HN 0.170 nan 8.370 nan 0.000 0.469 191 K N -0.130 120.229 120.400 -0.068 0.000 2.288 191 K HA 0.088 4.407 4.320 -0.000 0.000 0.201 191 K C 0.905 177.470 176.600 -0.058 0.000 1.048 191 K CA 0.075 56.328 56.287 -0.056 0.000 0.956 191 K CB -0.024 32.444 32.500 -0.053 0.000 0.746 191 K HN 0.147 nan 8.250 nan 0.000 0.461 192 M N 1.255 120.808 119.600 -0.077 0.000 2.252 192 M HA -0.056 4.424 4.480 -0.000 0.000 0.329 192 M C 0.660 176.931 176.300 -0.047 0.000 1.101 192 M CA 0.072 55.330 55.300 -0.070 0.000 1.117 192 M CB 0.599 33.142 32.600 -0.096 0.000 1.563 192 M HN 0.105 nan 8.290 nan 0.000 0.445 193 S N 3.485 119.164 115.700 -0.035 0.000 2.608 193 S HA 0.268 4.738 4.470 -0.000 0.000 0.261 193 S C -1.735 172.853 174.600 -0.021 0.000 1.314 193 S CA -1.139 57.046 58.200 -0.025 0.000 0.992 193 S CB 0.369 63.557 63.200 -0.020 0.000 0.935 193 S HN 0.553 nan 8.310 nan 0.000 0.564 194 P HA -0.149 nan 4.420 nan 0.000 0.215 194 P C 1.286 178.582 177.300 -0.007 0.000 1.157 194 P CA 1.677 64.772 63.100 -0.009 0.000 0.863 194 P CB -0.261 31.437 31.700 -0.004 0.000 0.787 195 E N 0.345 120.540 120.200 -0.008 0.000 2.153 195 E HA -0.203 4.147 4.350 -0.000 0.000 0.194 195 E C 2.195 178.792 176.600 -0.005 0.000 0.988 195 E CA 0.818 57.212 56.400 -0.009 0.000 0.811 195 E CB -0.792 28.901 29.700 -0.011 0.000 0.746 195 E HN 0.312 nan 8.360 nan 0.000 0.466 196 Q N 0.192 119.989 119.800 -0.006 0.000 2.016 196 Q HA -0.120 4.219 4.340 -0.000 0.000 0.200 196 Q C 2.290 178.303 176.000 0.022 0.000 0.978 196 Q CA 1.016 56.820 55.803 0.001 0.000 0.833 196 Q CB -0.206 28.523 28.738 -0.016 0.000 0.895 196 Q HN 0.247 nan 8.270 nan 0.000 0.427 197 L N 1.188 122.413 121.223 0.003 0.000 2.012 197 L HA -0.229 4.110 4.340 -0.000 0.000 0.210 197 L C 2.519 179.413 176.870 0.039 0.000 1.073 197 L CA 2.310 57.160 54.840 0.016 0.000 0.748 197 L CB -1.458 40.587 42.059 -0.023 0.000 0.891 197 L HN 0.246 nan 8.230 nan 0.000 0.431 198 S N -0.383 115.323 115.700 0.011 0.000 2.389 198 S HA -0.335 4.135 4.470 -0.000 0.000 0.229 198 S C 2.176 176.785 174.600 0.015 0.000 1.048 198 S CA 2.558 60.761 58.200 0.005 0.000 1.117 198 S CB -0.774 62.424 63.200 -0.003 0.000 1.020 198 S HN 0.616 nan 8.310 nan 0.000 0.430 199 A N 0.402 123.234 122.820 0.019 0.000 1.892 199 A HA -0.090 4.230 4.320 -0.000 0.000 0.218 199 A C 2.124 179.738 177.584 0.051 0.000 1.188 199 A CA 2.020 54.070 52.037 0.023 0.000 0.631 199 A CB -1.558 17.453 19.000 0.018 0.000 0.822 199 A HN 0.875 nan 8.150 nan 0.000 0.447 200 Y N 0.965 121.233 120.300 -0.054 0.000 2.030 200 Y HA -0.287 4.262 4.550 -0.000 0.000 0.274 200 Y C 2.276 178.118 175.900 -0.097 0.000 1.153 200 Y CA 2.441 60.498 58.100 -0.072 0.000 1.115 200 Y CB -0.488 37.921 38.460 -0.085 0.000 0.969 200 Y HN 0.306 nan 8.280 nan 0.000 0.488 201 K N -0.971 119.333 120.400 -0.160 0.000 2.077 201 K HA -0.328 3.992 4.320 -0.000 0.000 0.213 201 K C 2.260 178.669 176.600 -0.317 0.000 1.051 201 K CA 1.859 57.953 56.287 -0.321 0.000 0.929 201 K CB -0.662 31.692 32.500 -0.244 0.000 0.715 201 K HN 0.550 nan 8.250 nan 0.000 0.451 202 H N 0.665 119.583 119.070 -0.254 0.000 2.421 202 H HA -0.074 4.482 4.556 -0.000 0.000 0.298 202 H C 2.203 177.374 175.328 -0.262 0.000 1.087 202 H CA 1.792 57.704 56.048 -0.227 0.000 1.330 202 H CB 0.233 29.908 29.762 -0.145 0.000 1.388 202 H HN 0.281 nan 8.280 nan 0.000 0.526 203 S N 0.313 115.894 115.700 -0.198 0.000 2.402 203 S HA -0.097 4.372 4.470 -0.000 0.000 0.229 203 S C 2.398 176.791 174.600 -0.344 0.000 1.021 203 S CA 0.733 58.795 58.200 -0.230 0.000 0.974 203 S CB -0.702 62.388 63.200 -0.184 0.000 0.800 203 S HN 0.333 nan 8.310 nan 0.000 0.484 204 L N 1.790 122.732 121.223 -0.468 0.000 1.989 204 L HA -0.099 4.240 4.340 -0.000 0.000 0.211 204 L C 2.959 179.548 176.870 -0.469 0.000 1.071 204 L CA 1.800 56.355 54.840 -0.474 0.000 0.749 204 L CB -1.058 40.677 42.059 -0.540 0.000 0.890 204 L HN 0.473 nan 8.230 nan 0.000 0.431 205 V N -2.717 116.854 119.914 -0.571 0.000 2.594 205 V HA -0.187 3.933 4.120 -0.000 0.000 0.253 205 V C 2.184 177.967 176.094 -0.518 0.000 1.069 205 V CA 1.178 63.084 62.300 -0.656 0.000 1.082 205 V CB -0.597 30.776 31.823 -0.751 0.000 0.680 205 V HN 0.265 nan 8.190 nan 0.000 0.469 206 L N 1.240 122.183 121.223 -0.467 0.000 2.551 206 L HA 0.092 4.432 4.340 -0.000 0.000 0.228 206 L C 2.474 179.196 176.870 -0.247 0.000 1.153 206 L CA 1.558 56.188 54.840 -0.349 0.000 0.851 206 L CB -1.174 40.730 42.059 -0.259 0.000 0.959 206 L HN 0.472 nan 8.230 nan 0.000 0.451 207 S N -0.988 114.557 115.700 -0.259 0.000 2.412 207 S HA -0.056 4.414 4.470 -0.000 0.000 0.223 207 S C 1.984 176.470 174.600 -0.189 0.000 1.048 207 S CA 0.941 59.024 58.200 -0.195 0.000 0.954 207 S CB -0.358 62.722 63.200 -0.200 0.000 0.840 207 S HN 0.348 nan 8.310 nan 0.000 0.503 208 V N 0.949 120.710 119.914 -0.256 0.000 2.490 208 V HA -0.052 4.068 4.120 -0.000 0.000 0.250 208 V C 0.898 176.938 176.094 -0.089 0.000 1.061 208 V CA 1.339 63.461 62.300 -0.296 0.000 1.064 208 V CB -1.045 30.561 31.823 -0.362 0.000 0.670 208 V HN 0.405 nan 8.190 nan 0.000 0.461 209 Q N 1.098 120.863 119.800 -0.060 0.000 3.223 209 Q HA 0.239 4.578 4.340 -0.000 0.000 0.299 209 Q C 1.034 177.106 176.000 0.119 0.000 1.385 209 Q CA 0.683 56.517 55.803 0.052 0.000 0.942 209 Q CB 0.034 28.531 28.738 -0.401 0.000 1.748 209 Q HN 0.917 nan 8.270 nan 0.000 0.523 210 T N -3.205 111.440 114.554 0.153 0.000 3.792 210 T HA 0.073 4.423 4.350 -0.000 0.000 0.290 210 T C -1.567 173.225 174.700 0.152 0.000 0.946 210 T CA 0.146 62.338 62.100 0.154 0.000 1.172 210 T CB -0.526 68.386 68.868 0.073 0.000 1.095 210 T HN 0.122 nan 8.240 nan 0.000 0.453 211 P HA 0.055 nan 4.420 nan 0.000 0.223 211 P C 1.072 178.511 177.300 0.231 0.000 1.151 211 P CA 0.767 63.928 63.100 0.102 0.000 0.787 211 P CB -0.278 31.432 31.700 0.016 0.000 0.788 212 Y N -0.835 119.549 120.300 0.139 0.000 2.242 212 Y HA -0.154 4.396 4.550 -0.000 0.000 0.291 212 Y C 2.714 178.717 175.900 0.171 0.000 1.137 212 Y CA 0.450 58.658 58.100 0.180 0.000 1.181 212 Y CB -0.265 38.352 38.460 0.262 0.000 0.989 212 Y HN -0.094 nan 8.280 nan 0.000 0.527 213 M N 0.630 120.442 119.600 0.353 0.000 2.086 213 M HA -0.215 4.265 4.480 -0.000 0.000 0.261 213 M C 1.884 178.279 176.300 0.159 0.000 1.067 213 M CA 1.603 57.037 55.300 0.223 0.000 1.116 213 M CB -0.824 31.904 32.600 0.213 0.000 1.348 213 M HN 0.202 nan 8.290 nan 0.000 0.407 214 I N -0.471 120.195 120.570 0.159 0.000 2.118 214 I HA -0.384 3.785 4.170 -0.000 0.000 0.241 214 I C 2.280 178.468 176.117 0.119 0.000 1.070 214 I CA 1.633 63.005 61.300 0.120 0.000 1.327 214 I CB -0.613 37.450 38.000 0.105 0.000 1.034 214 I HN 0.322 nan 8.210 nan 0.000 0.405 215 I N 0.001 120.667 120.570 0.160 0.000 2.069 215 I HA -0.323 3.847 4.170 -0.000 0.000 0.237 215 I C 2.636 178.827 176.117 0.122 0.000 1.053 215 I CA 1.552 62.939 61.300 0.146 0.000 1.311 215 I CB -0.540 37.597 38.000 0.229 0.000 1.030 215 I HN 0.032 nan 8.210 nan 0.000 0.398 216 V N 1.045 121.025 119.914 0.110 0.000 2.282 216 V HA -0.378 3.742 4.120 -0.000 0.000 0.249 216 V C 2.716 178.856 176.094 0.077 0.000 1.057 216 V CA 2.157 64.501 62.300 0.075 0.000 1.032 216 V CB -0.990 30.846 31.823 0.023 0.000 0.645 216 V HN 0.563 nan 8.190 nan 0.000 0.447 217 A N 0.144 123.009 122.820 0.075 0.000 1.870 217 A HA -0.299 4.021 4.320 -0.000 0.000 0.219 217 A C 2.102 179.731 177.584 0.074 0.000 1.224 217 A CA 2.648 54.725 52.037 0.066 0.000 0.650 217 A CB -0.789 18.252 19.000 0.067 0.000 0.836 217 A HN 0.542 nan 8.150 nan 0.000 0.454 218 I N -0.211 120.407 120.570 0.080 0.000 2.145 218 I HA -0.303 3.866 4.170 -0.000 0.000 0.244 218 I C 2.348 178.527 176.117 0.104 0.000 1.075 218 I CA 1.753 63.103 61.300 0.083 0.000 1.332 218 I CB -0.739 37.299 38.000 0.065 0.000 1.033 218 I HN 0.218 nan 8.210 nan 0.000 0.410 219 V N 1.176 121.164 119.914 0.123 0.000 2.332 219 V HA -0.286 3.834 4.120 -0.000 0.000 0.248 219 V C 2.412 178.575 176.094 0.116 0.000 1.055 219 V CA 1.858 64.253 62.300 0.158 0.000 1.038 219 V CB -0.728 31.218 31.823 0.206 0.000 0.651 219 V HN 0.389 nan 8.190 nan 0.000 0.450 220 L N -0.736 120.543 121.223 0.094 0.000 2.056 220 L HA -0.151 4.188 4.340 -0.000 0.000 0.207 220 L C 2.538 179.451 176.870 0.072 0.000 1.078 220 L CA 1.212 56.098 54.840 0.077 0.000 0.749 220 L CB -0.635 41.462 42.059 0.062 0.000 0.901 220 L HN 0.320 nan 8.230 nan 0.000 0.433 221 L N -0.039 121.228 121.223 0.073 0.000 2.013 221 L HA -0.246 4.094 4.340 -0.000 0.000 0.212 221 L C 2.561 179.477 176.870 0.076 0.000 1.073 221 L CA 1.836 56.719 54.840 0.071 0.000 0.753 221 L CB -0.259 41.844 42.059 0.074 0.000 0.890 221 L HN 0.071 nan 8.230 nan 0.000 0.432 222 V N 0.484 120.451 119.914 0.089 0.000 2.214 222 V HA -0.337 3.783 4.120 -0.000 0.000 0.245 222 V C 2.919 179.056 176.094 0.070 0.000 1.047 222 V CA 2.035 64.388 62.300 0.089 0.000 0.998 222 V CB -1.245 30.636 31.823 0.098 0.000 0.633 222 V HN 0.630 nan 8.190 nan 0.000 0.446 223 A N -0.284 122.570 122.820 0.056 0.000 1.929 223 A HA -0.319 4.001 4.320 -0.000 0.000 0.221 223 A C 2.173 179.788 177.584 0.052 0.000 1.211 223 A CA 2.707 54.770 52.037 0.044 0.000 0.657 223 A CB -0.866 18.168 19.000 0.056 0.000 0.827 223 A HN 0.473 nan 8.150 nan 0.000 0.462 224 L N -0.517 120.740 121.223 0.056 0.000 1.933 224 L HA -0.192 4.147 4.340 -0.000 0.000 0.220 224 L C 2.404 179.311 176.870 0.061 0.000 1.078 224 L CA 2.346 57.218 54.840 0.052 0.000 0.773 224 L CB -0.913 41.176 42.059 0.049 0.000 0.890 224 L HN 0.433 nan 8.230 nan 0.000 0.434 225 L N -0.828 120.436 121.223 0.067 0.000 2.064 225 L HA -0.333 4.007 4.340 -0.000 0.000 0.216 225 L C 2.462 179.398 176.870 0.109 0.000 1.077 225 L CA 1.420 56.304 54.840 0.075 0.000 0.766 225 L CB -0.725 41.382 42.059 0.079 0.000 0.890 225 L HN 0.384 nan 8.230 nan 0.000 0.435 226 I N -0.757 119.892 120.570 0.131 0.000 2.113 226 I HA -0.324 3.845 4.170 -0.000 0.000 0.238 226 I C 2.580 178.814 176.117 0.195 0.000 1.070 226 I CA 1.883 63.305 61.300 0.204 0.000 1.332 226 I CB -1.004 37.062 38.000 0.110 0.000 1.044 226 I HN 0.333 nan 8.210 nan 0.000 0.402 227 M N 0.070 119.733 119.600 0.105 0.000 2.144 227 M HA -0.243 4.236 4.480 -0.000 0.000 0.260 227 M C 2.308 178.659 176.300 0.085 0.000 1.067 227 M CA 1.806 57.154 55.300 0.079 0.000 1.095 227 M CB -0.433 32.193 32.600 0.043 0.000 1.365 227 M HN 0.215 nan 8.290 nan 0.000 0.406 228 L N -0.644 120.623 121.223 0.074 0.000 2.034 228 L HA -0.033 4.307 4.340 -0.000 0.000 0.203 228 L C 1.420 178.309 176.870 0.033 0.000 1.074 228 L CA 0.808 55.676 54.840 0.046 0.000 0.748 228 L CB -1.462 40.615 42.059 0.030 0.000 0.905 228 L HN 0.310 nan 8.230 nan 0.000 0.439 229 T N 0.229 114.795 114.554 0.020 0.000 2.831 229 T HA -0.007 4.342 4.350 -0.000 0.000 0.291 229 T C 0.082 174.704 174.700 -0.130 0.000 0.981 229 T CA -0.371 61.660 62.100 -0.114 0.000 1.174 229 T CB 0.635 69.363 68.868 -0.234 0.000 0.929 229 T HN 0.045 nan 8.240 nan 0.000 0.532 230 K N 3.637 123.937 120.400 -0.166 0.000 2.227 230 K HA 0.295 4.615 4.320 -0.000 0.000 0.280 230 K C -1.142 175.335 176.600 -0.206 0.000 1.041 230 K CA -0.593 55.660 56.287 -0.057 0.000 0.905 230 K CB 0.324 32.808 32.500 -0.026 0.000 1.068 230 K HN 0.649 nan 8.250 nan 0.000 0.470 231 F N 4.641 124.594 119.950 0.005 0.000 2.440 231 F HA 0.407 4.934 4.527 -0.000 0.000 0.328 231 F C -1.268 174.468 175.800 -0.107 0.000 1.070 231 F CA -1.806 56.170 58.000 -0.040 0.000 1.011 231 F CB 0.950 39.994 39.000 0.074 0.000 1.226 231 F HN 0.491 nan 8.300 nan 0.000 0.491 232 P HA 0.252 nan 4.420 nan 0.000 0.274 232 P C -1.171 176.072 177.300 -0.095 0.000 1.256 232 P CA -0.455 62.508 63.100 -0.229 0.000 0.795 232 P CB 0.675 31.903 31.700 -0.787 0.000 1.038 233 A N 1.370 124.174 122.820 -0.028 0.000 2.371 233 A HA 0.530 4.849 4.320 -0.000 0.000 0.257 233 A C -0.084 177.545 177.584 0.074 0.000 1.089 233 A CA -0.280 51.787 52.037 0.049 0.000 0.794 233 A CB -0.430 18.606 19.000 0.059 0.000 1.029 233 A HN 0.492 nan 8.150 nan 0.000 0.488 234 L N 1.514 122.803 121.223 0.110 0.000 2.408 234 L HA 0.350 4.690 4.340 -0.000 0.000 0.268 234 L C 1.345 178.299 176.870 0.140 0.000 0.986 234 L CA -0.715 54.199 54.840 0.123 0.000 0.820 234 L CB 1.775 43.903 42.059 0.115 0.000 1.303 234 L HN 0.949 nan 8.230 nan 0.000 0.411 235 Q N 1.411 121.279 119.800 0.113 0.000 2.084 235 Q HA -0.145 4.194 4.340 -0.000 0.000 0.202 235 Q C 1.600 177.671 176.000 0.118 0.000 0.978 235 Q CA 2.450 58.311 55.803 0.097 0.000 0.844 235 Q CB 0.176 28.954 28.738 0.067 0.000 0.898 235 Q HN 0.889 nan 8.270 nan 0.000 0.426 236 S N 0.574 116.372 115.700 0.163 0.000 2.474 236 S HA -0.095 4.375 4.470 -0.000 0.000 0.235 236 S C 1.390 176.105 174.600 0.191 0.000 0.997 236 S CA 0.921 59.236 58.200 0.192 0.000 0.949 236 S CB -0.064 63.311 63.200 0.291 0.000 0.766 236 S HN 0.310 nan 8.310 nan 0.000 0.517 237 D N 2.190 122.763 120.400 0.288 0.000 2.075 237 D HA -0.004 4.636 4.640 -0.000 0.000 0.196 237 D C 0.153 176.537 176.300 0.139 0.000 0.985 237 D CA 0.600 54.716 54.000 0.193 0.000 0.834 237 D CB -0.781 40.200 40.800 0.300 0.000 0.987 237 D HN 0.195 nan 8.370 nan 0.000 0.452 238 N N 0.910 119.715 118.700 0.174 0.000 1.464 238 N HA -0.193 4.547 4.740 -0.000 0.000 0.385 238 N C 0.485 176.134 175.510 0.231 0.000 1.201 238 N CA 0.615 53.771 53.050 0.176 0.000 0.758 238 N CB -0.327 38.217 38.487 0.094 0.000 0.965 238 N HN 0.522 nan 8.380 nan 0.000 0.543 239 H N -1.080 117.979 119.070 -0.018 0.000 2.548 239 H HA 0.019 4.574 4.556 -0.000 0.000 0.265 239 H C 0.578 175.900 175.328 -0.009 0.000 0.969 239 H CA -0.112 55.923 56.048 -0.022 0.000 1.155 239 H CB 0.457 30.206 29.762 -0.021 0.000 1.394 239 H HN 0.357 nan 8.280 nan 0.000 0.570 240 S N 2.473 118.242 115.700 0.114 0.000 2.711 240 S HA 0.002 4.471 4.470 -0.000 0.000 0.335 240 S C -0.934 173.694 174.600 0.048 0.000 1.175 240 S CA -0.262 57.972 58.200 0.057 0.000 1.372 240 S CB -0.887 62.333 63.200 0.033 0.000 1.337 240 S HN 0.546 nan 8.310 nan 0.000 0.572 241 D N 1.737 122.166 120.400 0.047 0.000 2.530 241 D HA 0.398 5.038 4.640 -0.000 0.000 0.193 241 D C 0.081 176.402 176.300 0.034 0.000 1.243 241 D CA -0.375 53.646 54.000 0.034 0.000 0.803 241 D CB 0.347 41.166 40.800 0.032 0.000 1.955 241 D HN 0.316 nan 8.370 nan 0.000 0.529 242 A N 2.236 125.071 122.820 0.025 0.000 2.385 242 A HA 0.044 4.364 4.320 -0.000 0.000 0.197 242 A C 1.514 179.112 177.584 0.024 0.000 1.531 242 A CA 0.673 52.723 52.037 0.023 0.000 0.620 242 A CB -0.150 18.859 19.000 0.016 0.000 1.090 242 A HN 0.428 nan 8.150 nan 0.000 0.497 243 K N -0.152 120.259 120.400 0.019 0.000 2.211 243 K HA -0.016 4.303 4.320 -0.000 0.000 0.201 243 K C 1.873 178.484 176.600 0.018 0.000 1.052 243 K CA 1.277 57.576 56.287 0.019 0.000 0.973 243 K CB -0.507 32.001 32.500 0.013 0.000 0.766 243 K HN 0.731 nan 8.250 nan 0.000 0.466 244 Q N 0.277 120.085 119.800 0.013 0.000 2.437 244 Q HA 0.026 4.366 4.340 -0.000 0.000 0.210 244 Q C 1.674 177.683 176.000 0.014 0.000 0.972 244 Q CA 1.445 57.252 55.803 0.006 0.000 0.903 244 Q CB -0.979 27.758 28.738 -0.001 0.000 0.967 244 Q HN 0.225 nan 8.270 nan 0.000 0.486 245 G N 0.450 109.268 108.800 0.030 0.000 2.598 245 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.215 245 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.215 245 G C 0.527 175.480 174.900 0.088 0.000 1.131 245 G CA 0.211 45.342 45.100 0.053 0.000 0.785 245 G HN 0.440 nan 8.290 nan 0.000 0.539 246 S N -0.901 114.836 115.700 0.062 0.000 2.537 246 S HA -0.027 4.443 4.470 -0.000 0.000 0.280 246 S C 1.228 175.864 174.600 0.060 0.000 1.335 246 S CA -0.267 57.977 58.200 0.072 0.000 1.025 246 S CB 0.178 63.404 63.200 0.043 0.000 0.836 246 S HN 0.290 nan 8.310 nan 0.000 0.523 247 F N 3.509 123.389 119.950 -0.117 0.000 2.031 247 F HA -0.054 4.473 4.527 -0.000 0.000 0.295 247 F C 2.844 178.503 175.800 -0.234 0.000 1.133 247 F CA 2.430 60.218 58.000 -0.353 0.000 1.188 247 F CB -1.169 37.591 39.000 -0.400 0.000 0.974 247 F HN 0.697 nan 8.300 nan 0.000 0.473 248 S N 0.118 115.897 115.700 0.133 0.000 2.402 248 S HA -0.247 4.223 4.470 -0.000 0.000 0.233 248 S C 2.168 176.715 174.600 -0.088 0.000 1.030 248 S CA 1.316 59.541 58.200 0.041 0.000 1.003 248 S CB -0.915 62.342 63.200 0.094 0.000 0.813 248 S HN 0.585 nan 8.310 nan 0.000 0.477 249 A N 0.718 123.496 122.820 -0.069 0.000 1.845 249 A HA -0.047 4.273 4.320 -0.000 0.000 0.215 249 A C 2.480 179.982 177.584 -0.137 0.000 1.195 249 A CA 2.145 54.136 52.037 -0.076 0.000 0.616 249 A CB -1.460 17.520 19.000 -0.034 0.000 0.832 249 A HN 0.565 nan 8.150 nan 0.000 0.443 250 S N -0.703 114.898 115.700 -0.165 0.000 2.400 250 S HA -0.147 4.322 4.470 -0.000 0.000 0.232 250 S C 1.834 176.227 174.600 -0.346 0.000 1.025 250 S CA 1.457 59.541 58.200 -0.194 0.000 0.993 250 S CB -0.441 62.732 63.200 -0.045 0.000 0.808 250 S HN 0.469 nan 8.310 nan 0.000 0.478 251 L N 2.234 123.186 121.223 -0.452 0.000 1.988 251 L HA -0.074 4.266 4.340 -0.000 0.000 0.207 251 L C 2.445 179.110 176.870 -0.341 0.000 1.071 251 L CA 2.455 57.008 54.840 -0.479 0.000 0.744 251 L CB -1.328 40.475 42.059 -0.426 0.000 0.893 251 L HN 0.387 nan 8.230 nan 0.000 0.433 252 S N -0.778 114.792 115.700 -0.216 0.000 2.383 252 S HA -0.267 4.202 4.470 -0.000 0.000 0.229 252 S C 2.192 176.691 174.600 -0.168 0.000 1.030 252 S CA 1.232 59.341 58.200 -0.151 0.000 1.002 252 S CB -0.751 62.394 63.200 -0.091 0.000 0.829 252 S HN 0.498 nan 8.310 nan 0.000 0.467 253 R N 0.991 121.377 120.500 -0.190 0.000 2.083 253 R HA 0.037 4.377 4.340 -0.000 0.000 0.237 253 R C 2.368 178.508 176.300 -0.267 0.000 1.137 253 R CA 1.647 57.636 56.100 -0.185 0.000 0.951 253 R CB -0.563 29.634 30.300 -0.172 0.000 0.851 253 R HN 0.449 nan 8.270 nan 0.000 0.434 254 L N -0.048 120.909 121.223 -0.443 0.000 2.127 254 L HA -0.189 4.151 4.340 -0.000 0.000 0.211 254 L C 2.607 179.172 176.870 -0.508 0.000 1.089 254 L CA 1.246 55.621 54.840 -0.774 0.000 0.757 254 L CB -0.594 40.652 42.059 -1.354 0.000 0.899 254 L HN 0.354 nan 8.230 nan 0.000 0.434 255 A N 0.091 122.744 122.820 -0.278 0.000 1.933 255 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 255 A C 2.357 179.952 177.584 0.019 0.000 1.175 255 A CA 1.598 53.605 52.037 -0.049 0.000 0.628 255 A CB -0.449 18.515 19.000 -0.059 0.000 0.814 255 A HN 0.296 nan 8.150 nan 0.000 0.444 256 R N -0.652 119.829 120.500 -0.032 0.000 2.148 256 R HA 0.105 4.445 4.340 -0.000 0.000 0.227 256 R C -0.093 176.234 176.300 0.045 0.000 1.103 256 R CA 0.358 56.462 56.100 0.006 0.000 0.983 256 R CB -0.329 29.960 30.300 -0.019 0.000 0.874 256 R HN 0.536 nan 8.270 nan 0.000 0.451 257 I N 1.208 121.799 120.570 0.035 0.000 2.505 257 I HA -0.020 4.149 4.170 -0.000 0.000 0.287 257 I C 1.524 177.758 176.117 0.196 0.000 1.104 257 I CA 0.081 61.429 61.300 0.079 0.000 1.387 257 I CB 1.091 39.077 38.000 -0.023 0.000 1.404 257 I HN 0.072 nan 8.210 nan 0.000 0.528 258 R N 4.848 125.470 120.500 0.203 0.000 2.062 258 R HA -0.150 4.190 4.340 -0.000 0.000 0.226 258 R C 2.248 178.801 176.300 0.422 0.000 1.125 258 R CA 1.701 57.992 56.100 0.317 0.000 0.966 258 R CB -0.132 30.310 30.300 0.237 0.000 0.861 258 R HN 0.845 nan 8.270 nan 0.000 0.433 259 H N -2.364 116.883 119.070 0.294 0.000 2.428 259 H HA -0.096 4.460 4.556 -0.000 0.000 0.296 259 H C 1.853 177.435 175.328 0.425 0.000 1.062 259 H CA 1.198 57.481 56.048 0.392 0.000 1.350 259 H CB -0.764 29.137 29.762 0.232 0.000 1.403 259 H HN 0.434 nan 8.280 nan 0.000 0.533 260 W N 2.385 123.416 121.300 -0.449 0.000 2.378 260 W HA -0.089 4.570 4.660 -0.000 0.000 0.313 260 W C 2.688 179.137 176.519 -0.118 0.000 1.197 260 W CA 1.713 58.897 57.345 -0.268 0.000 1.304 260 W CB -0.175 29.091 29.460 -0.324 0.000 1.148 260 W HN 0.062 nan 8.180 nan 0.000 0.494 261 R N -0.579 119.867 120.500 -0.090 0.000 2.112 261 R HA -0.275 4.064 4.340 -0.000 0.000 0.242 261 R C 2.097 178.140 176.300 -0.428 0.000 1.137 261 R CA 2.665 58.517 56.100 -0.412 0.000 0.944 261 R CB -1.302 29.016 30.300 0.030 0.000 0.857 261 R HN 0.359 nan 8.270 nan 0.000 0.435 262 W N -0.088 121.105 121.300 -0.178 0.000 2.388 262 W HA -0.030 4.630 4.660 -0.000 0.000 0.294 262 W C 2.479 178.641 176.519 -0.595 0.000 1.212 262 W CA 1.415 58.677 57.345 -0.139 0.000 1.271 262 W CB -0.387 29.267 29.460 0.323 0.000 1.126 262 W HN 0.291 nan 8.180 nan 0.000 0.535 263 A N -0.249 122.230 122.820 -0.568 0.000 1.908 263 A HA -0.208 4.111 4.320 -0.000 0.000 0.218 263 A C 2.010 179.205 177.584 -0.648 0.000 1.181 263 A CA 2.196 53.639 52.037 -0.990 0.000 0.627 263 A CB -1.179 17.572 19.000 -0.415 0.000 0.818 263 A HN 0.092 nan 8.150 nan 0.000 0.445 264 V N -0.189 119.330 119.914 -0.658 0.000 2.287 264 V HA -0.266 3.854 4.120 -0.000 0.000 0.248 264 V C 2.522 178.406 176.094 -0.349 0.000 1.053 264 V CA 2.108 64.078 62.300 -0.550 0.000 1.027 264 V CB -0.823 30.542 31.823 -0.764 0.000 0.646 264 V HN 0.656 nan 8.190 nan 0.000 0.447 265 L N 0.922 121.905 121.223 -0.400 0.000 2.083 265 L HA -0.084 4.255 4.340 -0.000 0.000 0.209 265 L C 2.366 179.164 176.870 -0.119 0.000 1.083 265 L CA 2.383 57.051 54.840 -0.286 0.000 0.752 265 L CB -0.927 40.844 42.059 -0.480 0.000 0.899 265 L HN 0.207 nan 8.230 nan 0.000 0.433 266 A N -1.011 121.686 122.820 -0.206 0.000 1.930 266 A HA -0.239 4.081 4.320 -0.000 0.000 0.217 266 A C 2.285 179.889 177.584 0.032 0.000 1.175 266 A CA 1.679 53.665 52.037 -0.085 0.000 0.627 266 A CB -0.600 18.188 19.000 -0.353 0.000 0.815 266 A HN 0.572 nan 8.150 nan 0.000 0.443 267 Q N -1.730 118.050 119.800 -0.034 0.000 2.245 267 Q HA 0.005 4.344 4.340 -0.000 0.000 0.201 267 Q C 1.578 177.678 176.000 0.168 0.000 0.955 267 Q CA 1.165 57.017 55.803 0.082 0.000 0.870 267 Q CB -0.443 28.267 28.738 -0.046 0.000 0.945 267 Q HN 0.625 nan 8.270 nan 0.000 0.461 268 F N -0.525 119.417 119.950 -0.013 0.000 2.102 268 F HA -0.264 4.263 4.527 -0.000 0.000 0.298 268 F C 1.925 177.731 175.800 0.011 0.000 1.105 268 F CA 1.513 59.514 58.000 0.002 0.000 1.239 268 F CB -0.612 38.362 39.000 -0.043 0.000 0.991 268 F HN 0.137 nan 8.300 nan 0.000 0.474 269 C N -0.388 118.955 119.300 0.071 0.000 2.425 269 C HA -0.168 4.292 4.460 -0.000 0.000 0.277 269 C C 2.491 177.435 174.990 -0.078 0.000 1.280 269 C CA 1.091 60.089 59.018 -0.034 0.000 1.744 269 C CB -1.646 26.140 27.740 0.078 0.000 1.989 269 C HN 0.681 nan 8.230 nan 0.000 0.491 270 Y N 1.767 122.047 120.300 -0.033 0.000 2.036 270 Y HA -0.224 4.326 4.550 -0.000 0.000 0.273 270 Y C 2.423 178.276 175.900 -0.078 0.000 1.135 270 Y CA 2.103 60.216 58.100 0.021 0.000 1.106 270 Y CB -0.888 37.678 38.460 0.177 0.000 0.976 270 Y HN 0.085 nan 8.280 nan 0.000 0.483 271 V N 0.900 120.735 119.914 -0.130 0.000 2.317 271 V HA -0.384 3.736 4.120 -0.000 0.000 0.251 271 V C 2.589 178.435 176.094 -0.414 0.000 1.065 271 V CA 2.023 64.146 62.300 -0.295 0.000 1.049 271 V CB -1.780 29.992 31.823 -0.085 0.000 0.651 271 V HN 0.725 nan 8.190 nan 0.000 0.450 272 G N -0.456 108.086 108.800 -0.431 0.000 2.511 272 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.216 272 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.216 272 G C 1.787 176.442 174.900 -0.409 0.000 1.218 272 G CA 1.265 46.103 45.100 -0.436 0.000 0.788 272 G HN 0.650 nan 8.290 nan 0.000 0.560 273 A N -0.103 122.431 122.820 -0.476 0.000 1.902 273 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 273 A C 2.323 179.589 177.584 -0.531 0.000 1.181 273 A CA 2.145 53.846 52.037 -0.560 0.000 0.623 273 A CB -0.555 17.888 19.000 -0.929 0.000 0.818 273 A HN 0.487 nan 8.150 nan 0.000 0.443 274 Q N -0.245 119.143 119.800 -0.686 0.000 2.020 274 Q HA -0.191 4.149 4.340 -0.000 0.000 0.202 274 Q C 2.242 177.772 176.000 -0.783 0.000 0.982 274 Q CA 2.644 57.922 55.803 -0.874 0.000 0.838 274 Q CB -0.391 27.631 28.738 -1.194 0.000 0.899 274 Q HN 0.767 nan 8.270 nan 0.000 0.423 275 T N -1.832 112.409 114.554 -0.522 0.000 2.915 275 T HA 0.014 4.364 4.350 -0.000 0.000 0.269 275 T C 1.856 176.477 174.700 -0.131 0.000 1.071 275 T CA 1.097 63.032 62.100 -0.275 0.000 1.132 275 T CB -0.333 68.409 68.868 -0.211 0.000 0.878 275 T HN 0.347 nan 8.240 nan 0.000 0.479 276 A N 0.633 123.347 122.820 -0.176 0.000 1.933 276 A HA 0.001 4.320 4.320 -0.000 0.000 0.218 276 A C 2.771 180.357 177.584 0.004 0.000 1.175 276 A CA 1.439 53.433 52.037 -0.072 0.000 0.628 276 A CB -1.403 17.494 19.000 -0.171 0.000 0.814 276 A HN 0.718 nan 8.150 nan 0.000 0.444 277 C N -2.240 117.009 119.300 -0.085 0.000 2.496 277 C HA -0.118 4.342 4.460 -0.000 0.000 0.281 277 C C 2.485 177.616 174.990 0.234 0.000 1.250 277 C CA 0.527 59.565 59.018 0.033 0.000 1.717 277 C CB -1.633 26.098 27.740 -0.015 0.000 2.082 277 C HN 0.825 nan 8.230 nan 0.000 0.472 278 W N 1.105 122.418 121.300 0.021 0.000 2.354 278 W HA -0.090 4.570 4.660 -0.000 0.000 0.315 278 W C 2.967 179.492 176.519 0.011 0.000 1.206 278 W CA 1.365 58.714 57.345 0.007 0.000 1.290 278 W CB -1.938 27.502 29.460 -0.032 0.000 1.152 278 W HN 0.384 nan 8.180 nan 0.000 0.489 279 S N -0.070 115.780 115.700 0.249 0.000 2.389 279 S HA -0.285 4.185 4.470 -0.000 0.000 0.229 279 S C 1.633 176.269 174.600 0.060 0.000 1.048 279 S CA 1.989 60.264 58.200 0.125 0.000 1.117 279 S CB -0.894 62.407 63.200 0.167 0.000 1.020 279 S HN 0.305 nan 8.310 nan 0.000 0.430 280 Y N 1.161 121.504 120.300 0.071 0.000 2.461 280 Y HA 0.355 4.904 4.550 -0.000 0.000 0.277 280 Y C 1.725 177.695 175.900 0.116 0.000 1.182 280 Y CA -0.120 58.029 58.100 0.083 0.000 1.276 280 Y CB -0.011 38.495 38.460 0.077 0.000 1.087 280 Y HN 0.299 nan 8.280 nan 0.000 0.519 281 L N -0.113 121.241 121.223 0.218 0.000 1.989 281 L HA -0.269 4.071 4.340 -0.000 0.000 0.211 281 L C 1.999 178.961 176.870 0.154 0.000 1.071 281 L CA 1.665 56.599 54.840 0.158 0.000 0.749 281 L CB -0.249 41.897 42.059 0.146 0.000 0.890 281 L HN 0.246 nan 8.230 nan 0.000 0.431 282 I N -0.526 120.109 120.570 0.108 0.000 2.202 282 I HA -0.282 3.888 4.170 -0.000 0.000 0.242 282 I C 2.713 178.888 176.117 0.097 0.000 1.091 282 I CA 1.280 62.633 61.300 0.088 0.000 1.368 282 I CB -0.804 37.226 38.000 0.049 0.000 1.058 282 I HN 0.335 nan 8.210 nan 0.000 0.410 283 R N 0.048 120.598 120.500 0.084 0.000 2.103 283 R HA -0.257 4.083 4.340 -0.000 0.000 0.242 283 R C 2.423 178.802 176.300 0.132 0.000 1.142 283 R CA 2.045 58.195 56.100 0.084 0.000 0.960 283 R CB -0.674 29.664 30.300 0.064 0.000 0.858 283 R HN 0.355 nan 8.270 nan 0.000 0.439 284 Y N 0.839 121.176 120.300 0.062 0.000 2.128 284 Y HA -0.330 4.220 4.550 -0.000 0.000 0.284 284 Y C 2.289 178.177 175.900 -0.021 0.000 1.154 284 Y CA 1.715 59.835 58.100 0.034 0.000 1.149 284 Y CB -0.314 38.172 38.460 0.044 0.000 0.976 284 Y HN 0.118 nan 8.280 nan 0.000 0.505 285 A N -0.576 122.380 122.820 0.227 0.000 1.865 285 A HA -0.205 4.114 4.320 -0.000 0.000 0.217 285 A C 2.299 179.880 177.584 -0.006 0.000 1.191 285 A CA 2.238 54.319 52.037 0.073 0.000 0.623 285 A CB -1.392 17.620 19.000 0.019 0.000 0.826 285 A HN 0.350 nan 8.150 nan 0.000 0.444 286 V N 0.102 120.028 119.914 0.021 0.000 2.515 286 V HA -0.207 3.913 4.120 -0.000 0.000 0.250 286 V C 2.430 178.503 176.094 -0.036 0.000 1.058 286 V CA 2.153 64.457 62.300 0.006 0.000 1.064 286 V CB -0.583 31.255 31.823 0.025 0.000 0.675 286 V HN 0.774 nan 8.190 nan 0.000 0.461 287 E N -0.428 119.734 120.200 -0.064 0.000 2.371 287 E HA -0.180 4.170 4.350 -0.000 0.000 0.194 287 E C 1.939 178.443 176.600 -0.160 0.000 1.012 287 E CA 0.731 57.071 56.400 -0.100 0.000 0.860 287 E CB 0.325 29.964 29.700 -0.102 0.000 0.811 287 E HN 0.579 nan 8.360 nan 0.000 0.502 288 E N -0.348 119.728 120.200 -0.208 0.000 2.434 288 E HA 0.231 4.580 4.350 -0.000 0.000 0.207 288 E C -0.307 176.174 176.600 -0.198 0.000 0.929 288 E CA 0.206 56.448 56.400 -0.265 0.000 1.001 288 E CB 0.689 30.111 29.700 -0.463 0.000 1.016 288 E HN 0.124 nan 8.360 nan 0.000 0.502 289 I N 2.710 123.180 120.570 -0.167 0.000 2.439 289 I HA 0.336 4.506 4.170 -0.000 0.000 0.283 289 I C -2.462 173.600 176.117 -0.091 0.000 1.023 289 I CA -2.328 58.865 61.300 -0.178 0.000 1.100 289 I CB 2.210 40.058 38.000 -0.254 0.000 1.238 289 I HN -0.126 nan 8.210 nan 0.000 0.445 290 P HA 0.267 nan 4.420 nan 0.000 0.293 290 P C -0.234 177.054 177.300 -0.020 0.000 1.300 290 P CA -0.293 62.785 63.100 -0.036 0.000 0.792 290 P CB 1.578 33.260 31.700 -0.030 0.000 0.925 291 G N 3.516 112.301 108.800 -0.026 0.000 2.716 291 G HA2 0.447 4.407 3.960 -0.000 0.000 0.333 291 G HA3 0.447 4.407 3.960 -0.000 0.000 0.333 291 G C -0.422 174.459 174.900 -0.031 0.000 1.168 291 G CA -0.416 44.667 45.100 -0.028 0.000 1.064 291 G HN 0.379 nan 8.290 nan 0.000 0.479 292 M N 3.181 122.775 119.600 -0.009 0.000 2.217 292 M HA 0.404 4.883 4.480 -0.000 0.000 0.354 292 M C 0.880 177.216 176.300 0.060 0.000 1.225 292 M CA -0.386 54.938 55.300 0.039 0.000 1.137 292 M CB 0.805 33.440 32.600 0.058 0.000 1.576 292 M HN 0.444 nan 8.290 nan 0.000 0.461 293 T N 2.269 116.892 114.554 0.114 0.000 2.902 293 T HA 0.728 5.077 4.350 -0.000 0.000 0.283 293 T C 0.979 175.767 174.700 0.148 0.000 1.009 293 T CA -0.478 61.690 62.100 0.114 0.000 1.051 293 T CB 1.325 70.264 68.868 0.118 0.000 0.999 293 T HN 0.739 nan 8.240 nan 0.000 0.474 294 A N 2.328 125.206 122.820 0.096 0.000 1.940 294 A HA 0.124 4.444 4.320 -0.000 0.000 0.219 294 A C 2.347 179.989 177.584 0.096 0.000 1.176 294 A CA 1.933 54.019 52.037 0.082 0.000 0.631 294 A CB -1.601 17.426 19.000 0.046 0.000 0.814 294 A HN 1.115 nan 8.150 nan 0.000 0.446 295 G N -1.336 107.529 108.800 0.108 0.000 2.433 295 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.216 295 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.216 295 G C 1.477 176.458 174.900 0.135 0.000 1.186 295 G CA 1.118 46.279 45.100 0.103 0.000 0.779 295 G HN 0.485 nan 8.290 nan 0.000 0.543 296 F N 2.345 122.335 119.950 0.067 0.000 2.146 296 F HA 0.107 4.634 4.527 -0.000 0.000 0.298 296 F C 2.851 178.745 175.800 0.157 0.000 1.096 296 F CA 1.278 59.335 58.000 0.096 0.000 1.275 296 F CB -0.204 38.860 39.000 0.107 0.000 1.008 296 F HN 0.227 nan 8.300 nan 0.000 0.480 297 A N 0.542 123.554 122.820 0.320 0.000 1.986 297 A HA -0.202 4.118 4.320 -0.000 0.000 0.220 297 A C 2.353 180.023 177.584 0.143 0.000 1.171 297 A CA 1.733 53.939 52.037 0.282 0.000 0.640 297 A CB -1.599 17.513 19.000 0.187 0.000 0.811 297 A HN 0.512 nan 8.150 nan 0.000 0.451 298 A N 0.061 122.905 122.820 0.040 0.000 2.139 298 A HA -0.215 4.105 4.320 -0.000 0.000 0.221 298 A C 1.853 179.385 177.584 -0.086 0.000 1.159 298 A CA 1.697 53.722 52.037 -0.020 0.000 0.662 298 A CB -0.592 18.390 19.000 -0.030 0.000 0.796 298 A HN 0.614 nan 8.150 nan 0.000 0.463 299 N N -1.103 117.484 118.700 -0.188 0.000 2.171 299 N HA -0.128 4.612 4.740 -0.000 0.000 0.184 299 N C 1.424 176.803 175.510 -0.219 0.000 1.021 299 N CA 1.475 54.344 53.050 -0.301 0.000 0.854 299 N CB -0.536 37.571 38.487 -0.634 0.000 0.994 299 N HN 0.658 nan 8.380 nan 0.000 0.426 300 Y N 0.899 121.113 120.300 -0.143 0.000 2.274 300 Y HA -0.103 4.447 4.550 -0.000 0.000 0.290 300 Y C 2.189 178.050 175.900 -0.065 0.000 1.145 300 Y CA 0.489 58.557 58.100 -0.053 0.000 1.203 300 Y CB -0.204 38.269 38.460 0.021 0.000 0.984 300 Y HN 0.003 nan 8.280 nan 0.000 0.533 301 L N -0.179 121.077 121.223 0.055 0.000 2.005 301 L HA -0.183 4.157 4.340 -0.000 0.000 0.207 301 L C 2.591 179.378 176.870 -0.139 0.000 1.072 301 L CA 2.509 57.314 54.840 -0.059 0.000 0.744 301 L CB -1.278 40.740 42.059 -0.069 0.000 0.895 301 L HN 0.372 nan 8.230 nan 0.000 0.433 302 T N -3.135 111.344 114.554 -0.125 0.000 2.720 302 T HA -0.161 4.188 4.350 -0.000 0.000 0.268 302 T C 1.980 176.616 174.700 -0.106 0.000 1.037 302 T CA 1.100 63.121 62.100 -0.132 0.000 1.144 302 T CB -1.662 67.135 68.868 -0.118 0.000 0.864 302 T HN 0.406 nan 8.240 nan 0.000 0.444 303 G N 0.943 109.686 108.800 -0.094 0.000 2.476 303 G HA2 -0.276 3.683 3.960 -0.000 0.000 0.218 303 G HA3 -0.276 3.683 3.960 -0.000 0.000 0.218 303 G C 1.717 176.611 174.900 -0.010 0.000 1.164 303 G CA 1.529 46.594 45.100 -0.057 0.000 0.768 303 G HN 0.507 nan 8.290 nan 0.000 0.560 304 T N 0.396 114.940 114.554 -0.017 0.000 2.721 304 T HA -0.185 4.165 4.350 -0.000 0.000 0.268 304 T C 2.454 177.144 174.700 -0.016 0.000 1.038 304 T CA 1.822 63.923 62.100 0.002 0.000 1.145 304 T CB -0.205 68.606 68.868 -0.096 0.000 0.858 304 T HN 0.150 nan 8.240 nan 0.000 0.459 305 M N 0.111 119.631 119.600 -0.134 0.000 2.175 305 M HA 0.037 4.517 4.480 -0.000 0.000 0.264 305 M C 2.129 178.505 176.300 0.126 0.000 1.063 305 M CA 0.894 56.145 55.300 -0.082 0.000 1.119 305 M CB -0.346 32.146 32.600 -0.181 0.000 1.377 305 M HN 0.083 nan 8.290 nan 0.000 0.415 306 V N -1.534 118.430 119.914 0.085 0.000 2.427 306 V HA -0.295 3.825 4.120 -0.000 0.000 0.248 306 V C 2.345 178.547 176.094 0.179 0.000 1.051 306 V CA 1.487 63.870 62.300 0.138 0.000 1.048 306 V CB -0.694 31.165 31.823 0.060 0.000 0.666 306 V HN 0.533 nan 8.190 nan 0.000 0.456 307 C N -0.677 118.708 119.300 0.142 0.000 2.436 307 C HA -0.179 4.280 4.460 -0.000 0.000 0.277 307 C C 2.524 177.619 174.990 0.175 0.000 1.241 307 C CA 1.283 60.375 59.018 0.124 0.000 1.721 307 C CB -1.096 26.721 27.740 0.130 0.000 2.043 307 C HN 0.630 nan 8.230 nan 0.000 0.472 308 F N 0.758 120.799 119.950 0.152 0.000 2.043 308 F HA -0.223 4.303 4.527 -0.000 0.000 0.297 308 F C 2.105 178.045 175.800 0.234 0.000 1.121 308 F CA 2.332 60.473 58.000 0.236 0.000 1.199 308 F CB -0.725 38.458 39.000 0.305 0.000 0.968 308 F HN 0.274 nan 8.300 nan 0.000 0.478 309 F N 0.902 121.040 119.950 0.313 0.000 2.046 309 F HA -0.230 4.297 4.527 -0.000 0.000 0.297 309 F C 2.233 178.104 175.800 0.119 0.000 1.123 309 F CA 2.013 60.147 58.000 0.224 0.000 1.199 309 F CB -0.902 38.234 39.000 0.226 0.000 0.972 309 F HN -0.012 nan 8.300 nan 0.000 0.474 310 I N 0.525 121.067 120.570 -0.046 0.000 2.185 310 I HA -0.336 3.834 4.170 -0.000 0.000 0.246 310 I C 2.707 178.722 176.117 -0.170 0.000 1.088 310 I CA 1.571 62.761 61.300 -0.182 0.000 1.347 310 I CB -1.523 36.447 38.000 -0.050 0.000 1.041 310 I HN 0.403 nan 8.210 nan 0.000 0.415 311 G N 0.504 109.215 108.800 -0.147 0.000 2.446 311 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.217 311 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.217 311 G C 1.845 176.681 174.900 -0.107 0.000 1.168 311 G CA 0.490 45.475 45.100 -0.191 0.000 0.771 311 G HN 0.307 nan 8.290 nan 0.000 0.551 312 R N -1.071 119.316 120.500 -0.188 0.000 2.075 312 R HA 0.029 4.369 4.340 -0.000 0.000 0.232 312 R C 2.285 178.514 176.300 -0.118 0.000 1.126 312 R CA 0.996 57.006 56.100 -0.149 0.000 0.963 312 R CB -0.483 29.728 30.300 -0.148 0.000 0.858 312 R HN 0.394 nan 8.270 nan 0.000 0.435 313 F N 1.708 121.423 119.950 -0.392 0.000 2.026 313 F HA -0.300 4.227 4.527 -0.000 0.000 0.296 313 F C 2.639 178.381 175.800 -0.096 0.000 1.133 313 F CA 2.318 60.108 58.000 -0.350 0.000 1.188 313 F CB -0.839 37.814 39.000 -0.579 0.000 0.968 313 F HN 0.070 nan 8.300 nan 0.000 0.476 314 T N -1.832 112.906 114.554 0.308 0.000 2.684 314 T HA -0.145 4.205 4.350 -0.000 0.000 0.267 314 T C 2.325 177.233 174.700 0.347 0.000 1.036 314 T CA 1.399 63.703 62.100 0.340 0.000 1.148 314 T CB -1.774 67.226 68.868 0.220 0.000 0.863 314 T HN 0.365 nan 8.240 nan 0.000 0.436 315 G N 1.155 110.083 108.800 0.214 0.000 2.476 315 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.218 315 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.218 315 G C 1.751 176.672 174.900 0.036 0.000 1.164 315 G CA 1.559 46.722 45.100 0.106 0.000 0.768 315 G HN 0.550 nan 8.290 nan 0.000 0.560 316 T N -0.403 114.168 114.554 0.027 0.000 2.821 316 T HA -0.130 4.220 4.350 -0.000 0.000 0.267 316 T C 1.802 176.602 174.700 0.166 0.000 1.046 316 T CA 1.240 63.356 62.100 0.027 0.000 1.139 316 T CB -0.260 68.533 68.868 -0.125 0.000 0.871 316 T HN 0.570 nan 8.240 nan 0.000 0.454 317 W N 1.777 123.072 121.300 -0.007 0.000 2.350 317 W HA -0.037 4.623 4.660 -0.000 0.000 0.289 317 W C 1.475 178.023 176.519 0.048 0.000 1.215 317 W CA 0.724 58.090 57.345 0.035 0.000 1.236 317 W CB -0.513 28.964 29.460 0.029 0.000 1.130 317 W HN 0.187 nan 8.180 nan 0.000 0.541 318 L N 0.420 121.577 121.223 -0.110 0.000 2.141 318 L HA -0.215 4.124 4.340 -0.000 0.000 0.209 318 L C 2.223 178.991 176.870 -0.172 0.000 1.094 318 L CA 0.644 55.344 54.840 -0.234 0.000 0.763 318 L CB -0.693 41.409 42.059 0.072 0.000 0.908 318 L HN -0.013 nan 8.230 nan 0.000 0.437 319 I N -0.788 119.737 120.570 -0.076 0.000 2.830 319 I HA -0.136 4.034 4.170 -0.000 0.000 0.263 319 I C 2.388 178.450 176.117 -0.090 0.000 1.230 319 I CA 0.808 62.099 61.300 -0.015 0.000 1.480 319 I CB -0.879 37.184 38.000 0.104 0.000 1.095 319 I HN 0.205 nan 8.210 nan 0.000 0.455 320 S N 1.277 116.835 115.700 -0.236 0.000 2.345 320 S HA -0.060 4.409 4.470 -0.000 0.000 0.220 320 S C 2.008 176.300 174.600 -0.513 0.000 1.031 320 S CA 0.809 58.739 58.200 -0.449 0.000 0.996 320 S CB -0.106 62.796 63.200 -0.496 0.000 0.882 320 S HN 0.394 nan 8.310 nan 0.000 0.445 321 R N 0.233 120.283 120.500 -0.750 0.000 2.153 321 R HA 0.264 4.604 4.340 -0.000 0.000 0.218 321 R C -0.316 175.360 176.300 -1.039 0.000 1.072 321 R CA 0.574 56.036 56.100 -1.064 0.000 0.990 321 R CB -0.398 28.880 30.300 -1.702 0.000 0.889 321 R HN 0.381 nan 8.270 nan 0.000 0.452 322 F N -0.821 118.981 119.950 -0.247 0.000 2.620 322 F HA 0.550 5.077 4.527 -0.000 0.000 0.320 322 F C 0.014 175.715 175.800 -0.166 0.000 1.069 322 F CA -2.019 55.865 58.000 -0.193 0.000 0.953 322 F CB 0.653 39.535 39.000 -0.197 0.000 1.322 322 F HN -0.211 nan 8.300 nan 0.000 0.479 323 A N 2.385 125.251 122.820 0.075 0.000 2.522 323 A HA 0.329 4.649 4.320 -0.000 0.000 0.256 323 A C -1.866 175.678 177.584 -0.067 0.000 1.086 323 A CA -0.883 51.155 52.037 0.002 0.000 0.763 323 A CB -0.321 18.704 19.000 0.042 0.000 1.024 323 A HN 0.578 nan 8.150 nan 0.000 0.502 324 P HA -0.291 nan 4.420 nan 0.000 0.217 324 P C 1.344 178.597 177.300 -0.078 0.000 1.162 324 P CA 2.214 65.245 63.100 -0.115 0.000 0.901 324 P CB -0.214 31.294 31.700 -0.320 0.000 0.793 325 H N -0.015 118.943 119.070 -0.186 0.000 2.387 325 H HA -0.034 4.522 4.556 -0.000 0.000 0.299 325 H C 1.543 176.812 175.328 -0.099 0.000 1.090 325 H CA 1.552 57.503 56.048 -0.163 0.000 1.332 325 H CB -0.997 28.628 29.762 -0.228 0.000 1.386 325 H HN 0.119 nan 8.280 nan 0.000 0.516 326 K N 0.653 120.630 120.400 -0.706 0.000 2.025 326 K HA -0.034 4.286 4.320 -0.000 0.000 0.207 326 K C 2.525 179.002 176.600 -0.206 0.000 1.049 326 K CA 1.437 57.453 56.287 -0.452 0.000 0.933 326 K CB 0.094 32.312 32.500 -0.471 0.000 0.714 326 K HN 0.116 nan 8.250 nan 0.000 0.438 327 V N 1.446 121.249 119.914 -0.185 0.000 2.515 327 V HA -0.205 3.915 4.120 -0.000 0.000 0.250 327 V C 2.094 178.102 176.094 -0.143 0.000 1.058 327 V CA 1.212 63.410 62.300 -0.170 0.000 1.064 327 V CB -0.518 31.180 31.823 -0.208 0.000 0.675 327 V HN 0.229 nan 8.190 nan 0.000 0.461 328 L N 1.375 122.554 121.223 -0.073 0.000 2.007 328 L HA 0.047 4.386 4.340 -0.000 0.000 0.205 328 L C 2.530 179.494 176.870 0.156 0.000 1.073 328 L CA 2.330 57.197 54.840 0.045 0.000 0.744 328 L CB -1.197 40.904 42.059 0.070 0.000 0.898 328 L HN 0.180 nan 8.230 nan 0.000 0.435 329 A N -0.219 122.676 122.820 0.125 0.000 1.908 329 A HA -0.174 4.145 4.320 -0.000 0.000 0.218 329 A C 2.461 180.187 177.584 0.236 0.000 1.181 329 A CA 2.234 54.422 52.037 0.253 0.000 0.627 329 A CB -1.331 17.790 19.000 0.201 0.000 0.818 329 A HN 0.639 nan 8.150 nan 0.000 0.445 330 A N -1.359 121.548 122.820 0.145 0.000 1.865 330 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 330 A C 2.166 179.863 177.584 0.188 0.000 1.191 330 A CA 1.687 53.804 52.037 0.133 0.000 0.623 330 A CB -0.970 18.118 19.000 0.147 0.000 0.826 330 A HN 0.661 nan 8.150 nan 0.000 0.444 331 Y N -0.468 119.866 120.300 0.056 0.000 2.242 331 Y HA -0.099 4.451 4.550 -0.000 0.000 0.291 331 Y C 2.933 178.838 175.900 0.009 0.000 1.137 331 Y CA 0.448 58.615 58.100 0.112 0.000 1.181 331 Y CB -0.149 38.441 38.460 0.217 0.000 0.989 331 Y HN 0.402 nan 8.280 nan 0.000 0.527 332 A N 0.364 123.327 122.820 0.239 0.000 1.865 332 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 332 A C 2.172 179.769 177.584 0.022 0.000 1.191 332 A CA 1.613 53.765 52.037 0.192 0.000 0.623 332 A CB -1.096 18.120 19.000 0.361 0.000 0.826 332 A HN 0.463 nan 8.150 nan 0.000 0.444 333 L N -0.515 120.692 121.223 -0.027 0.000 2.017 333 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 333 L C 2.583 179.305 176.870 -0.246 0.000 1.073 333 L CA 1.442 56.164 54.840 -0.197 0.000 0.745 333 L CB -0.507 41.370 42.059 -0.304 0.000 0.894 333 L HN 0.422 nan 8.230 nan 0.000 0.432 334 I N -0.267 120.104 120.570 -0.332 0.000 2.118 334 I HA -0.360 3.810 4.170 -0.000 0.000 0.241 334 I C 2.828 178.633 176.117 -0.519 0.000 1.070 334 I CA 1.394 62.365 61.300 -0.548 0.000 1.327 334 I CB -0.609 36.755 38.000 -1.060 0.000 1.034 334 I HN 0.252 nan 8.210 nan 0.000 0.405 335 A N 0.880 123.383 122.820 -0.529 0.000 1.892 335 A HA -0.308 4.012 4.320 -0.000 0.000 0.218 335 A C 2.460 179.764 177.584 -0.466 0.000 1.188 335 A CA 2.294 53.970 52.037 -0.601 0.000 0.631 335 A CB -0.832 17.539 19.000 -1.047 0.000 0.822 335 A HN 0.561 nan 8.150 nan 0.000 0.447 336 M N -0.280 119.150 119.600 -0.284 0.000 2.108 336 M HA -0.165 4.315 4.480 -0.000 0.000 0.261 336 M C 2.182 178.494 176.300 0.020 0.000 1.066 336 M CA 2.056 57.425 55.300 0.116 0.000 1.107 336 M CB -0.357 32.332 32.600 0.149 0.000 1.356 336 M HN 0.393 nan 8.290 nan 0.000 0.406 337 A N 1.119 123.887 122.820 -0.087 0.000 1.877 337 A HA -0.121 4.199 4.320 -0.000 0.000 0.216 337 A C 2.069 179.623 177.584 -0.051 0.000 1.186 337 A CA 1.641 53.633 52.037 -0.074 0.000 0.620 337 A CB -1.072 17.849 19.000 -0.132 0.000 0.822 337 A HN 0.632 nan 8.150 nan 0.000 0.443 338 L N -0.743 120.426 121.223 -0.089 0.000 2.043 338 L HA -0.298 4.041 4.340 -0.000 0.000 0.212 338 L C 2.753 179.625 176.870 0.002 0.000 1.075 338 L CA 1.486 56.304 54.840 -0.038 0.000 0.752 338 L CB -0.766 41.272 42.059 -0.036 0.000 0.891 338 L HN 0.510 nan 8.230 nan 0.000 0.432 339 C N -0.324 118.993 119.300 0.028 0.000 2.446 339 C HA -0.127 4.332 4.460 -0.000 0.000 0.277 339 C C 2.744 177.702 174.990 -0.053 0.000 1.275 339 C CA 0.408 59.447 59.018 0.035 0.000 1.727 339 C CB -0.738 27.088 27.740 0.142 0.000 2.010 339 C HN 0.431 nan 8.230 nan 0.000 0.486 340 L N 0.425 121.616 121.223 -0.053 0.000 2.046 340 L HA -0.144 4.195 4.340 -0.000 0.000 0.208 340 L C 2.428 179.274 176.870 -0.038 0.000 1.077 340 L CA 1.490 56.248 54.840 -0.137 0.000 0.747 340 L CB -0.593 41.493 42.059 0.045 0.000 0.896 340 L HN 0.364 nan 8.230 nan 0.000 0.432 341 I N -0.991 119.609 120.570 0.050 0.000 2.179 341 I HA -0.305 3.865 4.170 -0.000 0.000 0.242 341 I C 2.850 179.016 176.117 0.081 0.000 1.088 341 I CA 1.318 62.677 61.300 0.100 0.000 1.357 341 I CB -0.451 37.592 38.000 0.072 0.000 1.051 341 I HN 0.218 nan 8.210 nan 0.000 0.409 342 S N 0.626 116.343 115.700 0.028 0.000 2.353 342 S HA -0.229 4.241 4.470 -0.000 0.000 0.222 342 S C 2.220 176.867 174.600 0.078 0.000 1.035 342 S CA 1.732 59.949 58.200 0.028 0.000 1.025 342 S CB -0.259 62.899 63.200 -0.070 0.000 0.902 342 S HN 0.501 nan 8.310 nan 0.000 0.440 343 A N 0.073 122.849 122.820 -0.074 0.000 1.902 343 A HA 0.037 4.357 4.320 -0.000 0.000 0.217 343 A C 1.852 179.360 177.584 -0.127 0.000 1.181 343 A CA 1.562 53.493 52.037 -0.177 0.000 0.623 343 A CB -0.753 17.960 19.000 -0.479 0.000 0.818 343 A HN 0.596 nan 8.150 nan 0.000 0.443 344 F N -0.506 119.492 119.950 0.079 0.000 2.317 344 F HA 0.378 4.905 4.527 -0.000 0.000 0.293 344 F C 2.070 177.904 175.800 0.056 0.000 1.085 344 F CA -0.302 57.732 58.000 0.056 0.000 1.390 344 F CB -0.954 38.071 39.000 0.041 0.000 1.077 344 F HN 0.243 nan 8.300 nan 0.000 0.517 345 A N -0.129 122.840 122.820 0.249 0.000 2.662 345 A HA 0.605 4.925 4.320 -0.000 0.000 0.234 345 A C 1.145 178.815 177.584 0.143 0.000 1.851 345 A CA 0.641 52.782 52.037 0.172 0.000 0.877 345 A CB -0.949 18.142 19.000 0.153 0.000 1.697 345 A HN 0.398 nan 8.150 nan 0.000 0.700 346 G N -3.987 104.886 108.800 0.121 0.000 2.635 346 G HA2 0.566 4.526 3.960 -0.000 0.000 0.194 346 G HA3 0.566 4.526 3.960 -0.000 0.000 0.194 346 G C 0.766 175.702 174.900 0.060 0.000 1.198 346 G CA 0.572 45.712 45.100 0.066 0.000 0.972 346 G HN 2.086 nan 8.290 nan 0.000 0.520 347 G N -0.323 108.455 108.800 -0.037 0.000 2.561 347 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.451 347 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.451 347 G C 1.066 175.903 174.900 -0.105 0.000 1.381 347 G CA 1.351 46.376 45.100 -0.125 0.000 0.942 347 G HN 0.935 nan 8.290 nan 0.000 0.518 348 H N -0.603 118.520 119.070 0.089 0.000 2.395 348 H HA -0.019 4.537 4.556 -0.000 0.000 0.299 348 H C 2.961 178.362 175.328 0.122 0.000 1.070 348 H CA 1.412 57.524 56.048 0.107 0.000 1.356 348 H CB -0.621 29.222 29.762 0.136 0.000 1.401 348 H HN 0.218 nan 8.280 nan 0.000 0.524 349 V N 1.030 121.087 119.914 0.239 0.000 2.250 349 V HA -0.266 3.854 4.120 -0.000 0.000 0.250 349 V C 2.820 179.005 176.094 0.152 0.000 1.060 349 V CA 2.136 64.540 62.300 0.175 0.000 1.030 349 V CB -1.191 30.717 31.823 0.142 0.000 0.643 349 V HN 0.558 nan 8.190 nan 0.000 0.445 350 G N -1.170 107.733 108.800 0.171 0.000 2.408 350 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.217 350 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.217 350 G C 1.599 176.543 174.900 0.074 0.000 1.150 350 G CA 0.811 46.018 45.100 0.178 0.000 0.776 350 G HN 0.421 nan 8.290 nan 0.000 0.542 351 L N 0.175 121.481 121.223 0.139 0.000 1.988 351 L HA 0.016 4.355 4.340 -0.000 0.000 0.207 351 L C 2.870 179.754 176.870 0.024 0.000 1.071 351 L CA 1.268 56.099 54.840 -0.015 0.000 0.744 351 L CB -0.315 41.738 42.059 -0.011 0.000 0.893 351 L HN 0.197 nan 8.230 nan 0.000 0.433 352 I N 0.157 120.816 120.570 0.148 0.000 2.248 352 I HA -0.344 3.826 4.170 -0.000 0.000 0.248 352 I C 2.756 178.951 176.117 0.131 0.000 1.107 352 I CA 1.271 62.688 61.300 0.196 0.000 1.373 352 I CB -0.468 37.662 38.000 0.217 0.000 1.055 352 I HN 0.347 nan 8.210 nan 0.000 0.418 353 A N 0.546 123.420 122.820 0.090 0.000 1.902 353 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 353 A C 2.233 179.850 177.584 0.055 0.000 1.181 353 A CA 1.506 53.584 52.037 0.068 0.000 0.623 353 A CB -0.763 18.266 19.000 0.049 0.000 0.818 353 A HN 0.372 nan 8.150 nan 0.000 0.443 354 L N -0.010 121.205 121.223 -0.013 0.000 1.989 354 L HA -0.136 4.204 4.340 -0.000 0.000 0.211 354 L C 2.710 179.643 176.870 0.104 0.000 1.071 354 L CA 3.009 57.833 54.840 -0.027 0.000 0.749 354 L CB -1.109 40.803 42.059 -0.245 0.000 0.890 354 L HN 0.490 nan 8.230 nan 0.000 0.431 355 T N -2.046 112.581 114.554 0.121 0.000 2.904 355 T HA -0.144 4.206 4.350 -0.000 0.000 0.267 355 T C 1.864 176.682 174.700 0.198 0.000 1.059 355 T CA 1.157 63.367 62.100 0.184 0.000 1.137 355 T CB -0.300 68.695 68.868 0.211 0.000 0.879 355 T HN 0.199 nan 8.240 nan 0.000 0.467 356 L N 0.863 122.190 121.223 0.174 0.000 2.376 356 L HA 0.225 4.565 4.340 -0.000 0.000 0.219 356 L C 2.685 179.697 176.870 0.237 0.000 1.133 356 L CA 0.821 55.769 54.840 0.179 0.000 0.816 356 L CB -1.214 40.943 42.059 0.163 0.000 0.933 356 L HN 0.539 nan 8.230 nan 0.000 0.449 357 C N -1.083 118.356 119.300 0.231 0.000 2.425 357 C HA -0.157 4.303 4.460 -0.000 0.000 0.277 357 C C 2.954 178.135 174.990 0.320 0.000 1.280 357 C CA 1.269 60.434 59.018 0.244 0.000 1.744 357 C CB -0.954 26.904 27.740 0.196 0.000 1.989 357 C HN 0.698 nan 8.230 nan 0.000 0.491 358 S N 1.415 117.365 115.700 0.416 0.000 2.400 358 S HA -0.122 4.348 4.470 -0.000 0.000 0.232 358 S C 2.146 176.969 174.600 0.372 0.000 1.025 358 S CA 1.250 59.819 58.200 0.616 0.000 0.993 358 S CB -0.674 63.004 63.200 0.795 0.000 0.808 358 S HN 0.846 nan 8.310 nan 0.000 0.478 359 A N 0.621 123.526 122.820 0.142 0.000 2.032 359 A HA -0.062 4.258 4.320 -0.000 0.000 0.221 359 A C 1.655 178.930 177.584 -0.514 0.000 1.165 359 A CA 1.441 53.349 52.037 -0.215 0.000 0.645 359 A CB -0.674 18.108 19.000 -0.364 0.000 0.807 359 A HN 0.544 nan 8.150 nan 0.000 0.453 360 F N -2.176 117.748 119.950 -0.043 0.000 2.712 360 F HA 0.259 4.786 4.527 -0.000 0.000 0.297 360 F C 2.184 178.047 175.800 0.106 0.000 1.114 360 F CA 0.281 58.195 58.000 -0.144 0.000 1.305 360 F CB -0.244 38.549 39.000 -0.345 0.000 1.086 360 F HN 0.014 nan 8.300 nan 0.000 0.599 361 M N 0.292 120.092 119.600 0.333 0.000 2.149 361 M HA -0.206 4.273 4.480 -0.000 0.000 0.261 361 M C 2.364 178.911 176.300 0.411 0.000 1.064 361 M CA 1.623 57.244 55.300 0.535 0.000 1.102 361 M CB -0.761 32.264 32.600 0.710 0.000 1.369 361 M HN 0.277 nan 8.290 nan 0.000 0.408 362 S N 1.735 117.440 115.700 0.009 0.000 2.355 362 S HA -0.290 4.180 4.470 -0.000 0.000 0.318 362 S C 1.567 176.097 174.600 -0.117 0.000 1.057 362 S CA 1.953 59.810 58.200 -0.571 0.000 1.684 362 S CB -1.163 61.799 63.200 -0.397 0.000 1.408 362 S HN 0.363 nan 8.310 nan 0.000 0.465 363 I N 3.042 123.633 120.570 0.035 0.000 2.761 363 I HA -0.155 4.015 4.170 -0.000 0.000 0.266 363 I C 2.707 178.863 176.117 0.066 0.000 1.239 363 I CA 1.096 62.409 61.300 0.023 0.000 1.451 363 I CB -0.853 37.065 38.000 -0.137 0.000 1.096 363 I HN 0.447 nan 8.210 nan 0.000 0.465 364 Q N -1.539 118.319 119.800 0.096 0.000 2.049 364 Q HA -0.233 4.106 4.340 -0.000 0.000 0.198 364 Q C 2.154 178.079 176.000 -0.125 0.000 0.971 364 Q CA 1.674 57.486 55.803 0.015 0.000 0.833 364 Q CB -0.417 28.365 28.738 0.075 0.000 0.896 364 Q HN 0.546 nan 8.270 nan 0.000 0.434 365 Y N 1.949 121.995 120.300 -0.423 0.000 2.097 365 Y HA -0.191 4.359 4.550 -0.000 0.000 0.282 365 Y C -0.920 175.046 175.900 0.110 0.000 1.152 365 Y CA 1.876 59.822 58.100 -0.257 0.000 1.136 365 Y CB -1.116 37.318 38.460 -0.044 0.000 0.975 365 Y HN 0.066 nan 8.280 nan 0.000 0.498 366 P HA -0.157 nan 4.420 nan 0.000 0.213 366 P C 1.661 179.059 177.300 0.164 0.000 1.170 366 P CA 3.035 66.236 63.100 0.169 0.000 0.898 366 P CB -0.271 31.547 31.700 0.197 0.000 0.787 367 T N -0.002 114.642 114.554 0.151 0.000 2.720 367 T HA -0.134 4.215 4.350 -0.000 0.000 0.268 367 T C 1.805 176.658 174.700 0.256 0.000 1.037 367 T CA 1.211 63.425 62.100 0.190 0.000 1.144 367 T CB -1.061 67.879 68.868 0.118 0.000 0.864 367 T HN 0.080 nan 8.240 nan 0.000 0.444 368 I N -0.040 120.658 120.570 0.214 0.000 2.264 368 I HA -0.150 4.020 4.170 -0.000 0.000 0.248 368 I C 2.152 178.401 176.117 0.220 0.000 1.111 368 I CA 1.483 62.946 61.300 0.272 0.000 1.382 368 I CB -0.459 37.601 38.000 0.100 0.000 1.060 368 I HN 0.184 nan 8.210 nan 0.000 0.418 369 F N 1.739 121.685 119.950 -0.007 0.000 2.084 369 F HA -0.265 4.262 4.527 -0.000 0.000 0.296 369 F C 2.933 178.801 175.800 0.114 0.000 1.111 369 F CA 1.782 59.770 58.000 -0.019 0.000 1.224 369 F CB 0.008 38.909 39.000 -0.166 0.000 0.991 369 F HN 0.084 nan 8.300 nan 0.000 0.471 370 S N 1.093 117.049 115.700 0.426 0.000 2.343 370 S HA -0.246 4.224 4.470 -0.000 0.000 0.219 370 S C 2.009 176.845 174.600 0.393 0.000 1.033 370 S CA 1.488 59.874 58.200 0.311 0.000 1.014 370 S CB -1.265 62.049 63.200 0.191 0.000 0.915 370 S HN 0.420 nan 8.310 nan 0.000 0.435 371 L N 1.818 123.342 121.223 0.501 0.000 2.051 371 L HA -0.145 4.194 4.340 -0.000 0.000 0.214 371 L C 2.973 180.158 176.870 0.525 0.000 1.076 371 L CA 1.486 56.597 54.840 0.452 0.000 0.758 371 L CB -1.528 40.729 42.059 0.329 0.000 0.890 371 L HN 0.571 nan 8.230 nan 0.000 0.433 372 G N 0.620 109.722 108.800 0.503 0.000 2.418 372 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.217 372 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.217 372 G C 1.471 176.630 174.900 0.432 0.000 1.158 372 G CA 1.172 46.526 45.100 0.422 0.000 0.771 372 G HN 0.547 nan 8.290 nan 0.000 0.545 373 I N -2.152 118.661 120.570 0.404 0.000 2.594 373 I HA 0.250 4.419 4.170 -0.000 0.000 0.237 373 I C 0.311 176.620 176.117 0.321 0.000 1.071 373 I CA -0.122 61.392 61.300 0.356 0.000 1.427 373 I CB -0.448 37.755 38.000 0.339 0.000 1.218 373 I HN -0.264 nan 8.210 nan 0.000 0.444 374 K N 4.471 125.011 120.400 0.233 0.000 2.323 374 K HA -0.082 4.238 4.320 -0.000 0.000 0.262 374 K C -0.914 175.806 176.600 0.200 0.000 1.238 374 K CA 0.609 56.982 56.287 0.142 0.000 1.249 374 K CB -1.277 31.227 32.500 0.007 0.000 0.805 374 K HN 0.682 nan 8.250 nan 0.000 0.489 375 N N 2.512 121.320 118.700 0.179 0.000 2.531 375 N HA 0.187 4.927 4.740 -0.000 0.000 0.268 375 N C 0.227 175.811 175.510 0.123 0.000 1.023 375 N CA -0.617 52.504 53.050 0.118 0.000 0.896 375 N CB 1.147 39.667 38.487 0.055 0.000 1.233 375 N HN 0.299 nan 8.380 nan 0.000 0.512 376 L N 1.258 122.547 121.223 0.111 0.000 2.416 376 L HA 0.293 4.632 4.340 -0.000 0.000 0.216 376 L C 1.472 178.359 176.870 0.028 0.000 1.098 376 L CA 0.681 55.557 54.840 0.061 0.000 0.840 376 L CB -0.574 41.517 42.059 0.053 0.000 0.981 376 L HN 0.941 nan 8.230 nan 0.000 0.462 377 G N 1.220 110.048 108.800 0.047 0.000 2.596 377 G HA2 -0.463 3.497 3.960 -0.000 0.000 0.295 377 G HA3 -0.463 3.497 3.960 -0.000 0.000 0.295 377 G C 0.778 175.697 174.900 0.031 0.000 1.240 377 G CA 0.740 45.864 45.100 0.039 0.000 0.985 377 G HN 0.492 nan 8.290 nan 0.000 0.555 378 Q N -0.758 119.048 119.800 0.010 0.000 2.173 378 Q HA -0.156 4.184 4.340 -0.000 0.000 0.208 378 Q C 1.510 177.481 176.000 -0.049 0.000 0.989 378 Q CA 2.408 58.202 55.803 -0.014 0.000 0.872 378 Q CB -0.301 28.429 28.738 -0.013 0.000 0.909 378 Q HN 0.579 nan 8.270 nan 0.000 0.420 379 D N 0.244 120.613 120.400 -0.051 0.000 2.349 379 D HA -0.000 4.639 4.640 -0.000 0.000 0.224 379 D C 1.259 177.520 176.300 -0.064 0.000 1.029 379 D CA 0.665 54.615 54.000 -0.084 0.000 0.879 379 D CB -0.018 40.687 40.800 -0.158 0.000 0.906 379 D HN 0.286 nan 8.370 nan 0.000 0.528 380 T N 0.940 115.495 114.554 0.002 0.000 2.624 380 T HA -0.205 4.144 4.350 -0.000 0.000 0.268 380 T C 1.868 176.627 174.700 0.098 0.000 1.041 380 T CA 1.376 63.532 62.100 0.095 0.000 1.159 380 T CB 0.086 69.063 68.868 0.182 0.000 0.863 380 T HN 0.241 nan 8.240 nan 0.000 0.434 381 K N -0.198 120.179 120.400 -0.037 0.000 2.002 381 K HA -0.085 4.235 4.320 -0.000 0.000 0.209 381 K C 2.194 178.756 176.600 -0.064 0.000 1.048 381 K CA 1.512 57.718 56.287 -0.136 0.000 0.930 381 K CB -0.347 31.880 32.500 -0.455 0.000 0.714 381 K HN 0.352 nan 8.250 nan 0.000 0.438 382 Y N 0.822 121.135 120.300 0.021 0.000 2.352 382 Y HA -0.074 4.476 4.550 -0.000 0.000 0.292 382 Y C 2.486 178.523 175.900 0.229 0.000 1.136 382 Y CA 0.895 59.038 58.100 0.072 0.000 1.227 382 Y CB -1.113 37.292 38.460 -0.093 0.000 0.991 382 Y HN 0.174 nan 8.280 nan 0.000 0.545 383 G N -0.809 108.126 108.800 0.225 0.000 2.440 383 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.218 383 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.218 383 G C 1.909 177.120 174.900 0.518 0.000 1.154 383 G CA 1.326 46.588 45.100 0.270 0.000 0.767 383 G HN 0.395 nan 8.290 nan 0.000 0.552 384 S N 0.900 116.830 115.700 0.382 0.000 2.343 384 S HA -0.123 4.347 4.470 -0.000 0.000 0.219 384 S C 2.620 177.396 174.600 0.293 0.000 1.033 384 S CA 1.322 59.748 58.200 0.376 0.000 1.014 384 S CB -0.609 62.877 63.200 0.478 0.000 0.915 384 S HN 0.361 nan 8.310 nan 0.000 0.435 385 S N 1.122 116.966 115.700 0.241 0.000 2.408 385 S HA -0.214 4.255 4.470 -0.000 0.000 0.241 385 S C 1.521 176.093 174.600 -0.047 0.000 1.080 385 S CA 1.883 60.126 58.200 0.070 0.000 1.109 385 S CB -0.591 62.623 63.200 0.023 0.000 0.966 385 S HN 0.452 nan 8.310 nan 0.000 0.449 386 F N 0.823 120.855 119.950 0.137 0.000 2.074 386 F HA 0.051 4.577 4.527 -0.000 0.000 0.293 386 F C 2.233 178.018 175.800 -0.025 0.000 1.116 386 F CA 0.795 58.839 58.000 0.074 0.000 1.212 386 F CB -0.627 38.519 39.000 0.244 0.000 0.998 386 F HN 0.123 nan 8.300 nan 0.000 0.471 387 I N -0.092 120.563 120.570 0.141 0.000 2.143 387 I HA -0.375 3.794 4.170 -0.000 0.000 0.245 387 I C 2.244 178.319 176.117 -0.070 0.000 1.068 387 I CA 1.447 62.653 61.300 -0.156 0.000 1.326 387 I CB -0.674 37.000 38.000 -0.543 0.000 1.028 387 I HN -0.024 nan 8.210 nan 0.000 0.412 388 V N 0.245 120.185 119.914 0.044 0.000 2.407 388 V HA -0.313 3.807 4.120 -0.000 0.000 0.248 388 V C 2.368 178.544 176.094 0.136 0.000 1.055 388 V CA 1.929 64.337 62.300 0.180 0.000 1.049 388 V CB -0.532 31.445 31.823 0.256 0.000 0.662 388 V HN 0.415 nan 8.190 nan 0.000 0.455 389 M N 0.757 120.373 119.600 0.027 0.000 2.279 389 M HA -0.154 4.326 4.480 -0.000 0.000 0.264 389 M C 2.236 178.653 176.300 0.195 0.000 1.062 389 M CA 2.042 57.320 55.300 -0.037 0.000 1.099 389 M CB -0.812 31.509 32.600 -0.466 0.000 1.394 389 M HN 0.624 nan 8.290 nan 0.000 0.426 390 T N -1.101 113.566 114.554 0.190 0.000 3.139 390 T HA -0.063 4.287 4.350 -0.000 0.000 0.267 390 T C 1.336 176.191 174.700 0.258 0.000 1.164 390 T CA 0.689 62.979 62.100 0.316 0.000 1.075 390 T CB -0.843 68.169 68.868 0.240 0.000 0.904 390 T HN 0.451 nan 8.240 nan 0.000 0.540 391 I N -0.173 120.495 120.570 0.164 0.000 3.083 391 I HA -0.006 4.164 4.170 -0.000 0.000 0.273 391 I C 1.877 178.027 176.117 0.054 0.000 1.297 391 I CA 0.317 61.649 61.300 0.053 0.000 1.452 391 I CB -0.441 37.489 38.000 -0.117 0.000 1.078 391 I HN 0.235 nan 8.210 nan 0.000 0.484 392 I N 1.543 122.191 120.570 0.130 0.000 2.700 392 I HA -0.168 4.002 4.170 -0.000 0.000 0.261 392 I C 2.429 178.626 176.117 0.133 0.000 1.219 392 I CA 0.929 62.277 61.300 0.079 0.000 1.463 392 I CB -0.907 37.229 38.000 0.225 0.000 1.092 392 I HN 0.146 nan 8.210 nan 0.000 0.452 393 G N -0.287 108.518 108.800 0.008 0.000 2.422 393 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.218 393 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.218 393 G C 1.805 176.527 174.900 -0.296 0.000 1.146 393 G CA 0.625 45.420 45.100 -0.509 0.000 0.769 393 G HN 0.491 nan 8.290 nan 0.000 0.547 394 G N 0.663 109.371 108.800 -0.152 0.000 2.450 394 G HA2 0.044 4.003 3.960 -0.000 0.000 0.220 394 G HA3 0.044 4.003 3.960 -0.000 0.000 0.220 394 G C 1.651 176.486 174.900 -0.108 0.000 1.130 394 G CA 1.388 46.398 45.100 -0.151 0.000 0.760 394 G HN 0.589 nan 8.290 nan 0.000 0.557 395 G N 0.513 109.309 108.800 -0.007 0.000 2.459 395 G HA2 0.023 3.983 3.960 -0.000 0.000 0.213 395 G HA3 0.023 3.983 3.960 -0.000 0.000 0.213 395 G C 1.681 176.665 174.900 0.140 0.000 1.155 395 G CA 0.299 45.463 45.100 0.106 0.000 0.811 395 G HN 0.419 nan 8.290 nan 0.000 0.534 396 I N 0.464 121.108 120.570 0.123 0.000 2.493 396 I HA -0.077 4.093 4.170 -0.000 0.000 0.254 396 I C 2.577 178.719 176.117 0.041 0.000 1.160 396 I CA 0.270 61.644 61.300 0.123 0.000 1.445 396 I CB 0.072 38.200 38.000 0.214 0.000 1.086 396 I HN 0.099 nan 8.210 nan 0.000 0.433 397 V N 0.652 120.544 119.914 -0.037 0.000 2.453 397 V HA -0.227 3.892 4.120 -0.000 0.000 0.247 397 V C 2.411 178.503 176.094 -0.004 0.000 1.048 397 V CA 2.454 64.716 62.300 -0.062 0.000 1.049 397 V CB -0.315 31.422 31.823 -0.143 0.000 0.672 397 V HN 0.452 nan 8.190 nan 0.000 0.457 398 T N 1.905 116.485 114.554 0.044 0.000 2.624 398 T HA -0.138 4.212 4.350 -0.000 0.000 0.268 398 T C -0.132 174.652 174.700 0.140 0.000 1.041 398 T CA 2.117 64.297 62.100 0.133 0.000 1.159 398 T CB -1.690 67.253 68.868 0.125 0.000 0.863 398 T HN 0.579 nan 8.240 nan 0.000 0.434 399 P HA 0.019 nan 4.420 nan 0.000 0.217 399 P C 1.666 179.037 177.300 0.118 0.000 1.150 399 P CA 0.788 63.956 63.100 0.113 0.000 0.832 399 P CB -0.307 31.442 31.700 0.082 0.000 0.787 400 V N -0.135 119.812 119.914 0.056 0.000 2.343 400 V HA -0.225 3.895 4.120 -0.000 0.000 0.247 400 V C 2.832 178.962 176.094 0.060 0.000 1.051 400 V CA 1.644 63.966 62.300 0.036 0.000 1.036 400 V CB -1.157 30.649 31.823 -0.027 0.000 0.654 400 V HN 0.022 nan 8.190 nan 0.000 0.451 401 M N 0.556 120.130 119.600 -0.043 0.000 2.067 401 M HA -0.095 4.385 4.480 -0.000 0.000 0.260 401 M C 2.408 178.562 176.300 -0.244 0.000 1.069 401 M CA 2.291 57.437 55.300 -0.257 0.000 1.117 401 M CB -1.687 30.627 32.600 -0.476 0.000 1.334 401 M HN 0.461 nan 8.290 nan 0.000 0.407 402 G N -0.553 108.236 108.800 -0.018 0.000 2.440 402 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.218 402 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.218 402 G C 1.460 176.413 174.900 0.089 0.000 1.154 402 G CA 0.832 46.007 45.100 0.126 0.000 0.767 402 G HN 0.417 nan 8.290 nan 0.000 0.552 403 F N 1.388 121.331 119.950 -0.012 0.000 2.010 403 F HA -0.177 4.350 4.527 -0.000 0.000 0.296 403 F C 2.770 178.554 175.800 -0.027 0.000 1.146 403 F CA 2.242 60.236 58.000 -0.010 0.000 1.181 403 F CB -0.649 38.346 39.000 -0.008 0.000 0.965 403 F HN 0.002 nan 8.300 nan 0.000 0.480 404 V N 0.102 120.160 119.914 0.241 0.000 2.278 404 V HA -0.381 3.738 4.120 -0.000 0.000 0.251 404 V C 2.690 178.720 176.094 -0.108 0.000 1.062 404 V CA 2.199 64.536 62.300 0.062 0.000 1.038 404 V CB -1.441 30.452 31.823 0.117 0.000 0.646 404 V HN 0.631 nan 8.190 nan 0.000 0.447 405 S N -0.456 115.185 115.700 -0.098 0.000 2.365 405 S HA -0.274 4.196 4.470 -0.000 0.000 0.225 405 S C 1.788 176.331 174.600 -0.095 0.000 1.039 405 S CA 2.107 60.251 58.200 -0.094 0.000 1.033 405 S CB -0.467 62.682 63.200 -0.085 0.000 0.887 405 S HN 0.683 nan 8.310 nan 0.000 0.447 406 D N 1.026 121.347 120.400 -0.133 0.000 2.123 406 D HA 0.064 4.704 4.640 -0.000 0.000 0.200 406 D C 2.295 178.481 176.300 -0.189 0.000 0.976 406 D CA 1.234 55.151 54.000 -0.138 0.000 0.831 406 D CB -0.657 40.059 40.800 -0.139 0.000 0.974 406 D HN 0.506 nan 8.370 nan 0.000 0.469 407 A N 1.195 123.825 122.820 -0.316 0.000 1.933 407 A HA -0.070 4.250 4.320 -0.000 0.000 0.218 407 A C 2.303 179.801 177.584 -0.144 0.000 1.175 407 A CA 2.161 54.030 52.037 -0.279 0.000 0.628 407 A CB -0.570 18.184 19.000 -0.410 0.000 0.814 407 A HN 0.239 nan 8.150 nan 0.000 0.444 408 A N -2.038 120.712 122.820 -0.117 0.000 1.898 408 A HA 0.316 4.636 4.320 -0.000 0.000 0.216 408 A C 2.244 179.798 177.584 -0.049 0.000 1.181 408 A CA 1.885 53.885 52.037 -0.061 0.000 0.620 408 A CB -0.951 18.021 19.000 -0.048 0.000 0.819 408 A HN 1.924 nan 8.150 nan 0.000 0.442 409 G N -1.150 107.616 108.800 -0.057 0.000 2.176 409 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.232 409 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.232 409 G C -0.092 174.783 174.900 -0.041 0.000 0.986 409 G CA 0.757 45.830 45.100 -0.044 0.000 0.643 409 G HN 1.518 nan 8.290 nan 0.000 0.522 410 N N -1.277 117.397 118.700 -0.042 0.000 2.484 410 N HA 0.649 5.388 4.740 -0.000 0.000 0.269 410 N C 0.810 176.296 175.510 -0.040 0.000 1.237 410 N CA -0.898 52.122 53.050 -0.051 0.000 0.838 410 N CB 0.697 39.149 38.487 -0.059 0.000 1.593 410 N HN -0.134 nan 8.380 nan 0.000 0.485 411 I N -0.148 120.397 120.570 -0.041 0.000 2.252 411 I HA -0.016 4.154 4.170 -0.000 0.000 0.245 411 I C -0.844 175.315 176.117 0.070 0.000 1.102 411 I CA 0.583 61.901 61.300 0.030 0.000 1.385 411 I CB -2.289 35.781 38.000 0.116 0.000 1.064 411 I HN 0.533 nan 8.210 nan 0.000 0.414 412 P HA -0.178 nan 4.420 nan 0.000 0.215 412 P C 1.828 179.155 177.300 0.045 0.000 1.163 412 P CA 2.611 65.816 63.100 0.174 0.000 0.894 412 P CB -0.326 31.410 31.700 0.061 0.000 0.791 413 T N -3.226 111.325 114.554 -0.004 0.000 2.962 413 T HA -0.024 4.325 4.350 -0.000 0.000 0.270 413 T C 1.822 176.490 174.700 -0.052 0.000 1.088 413 T CA 1.104 63.181 62.100 -0.038 0.000 1.127 413 T CB -1.077 67.793 68.868 0.004 0.000 0.883 413 T HN 0.025 nan 8.240 nan 0.000 0.493 414 A N 1.730 124.520 122.820 -0.049 0.000 2.015 414 A HA -0.002 4.317 4.320 -0.000 0.000 0.219 414 A C 2.311 179.837 177.584 -0.097 0.000 1.163 414 A CA 0.896 52.881 52.037 -0.086 0.000 0.646 414 A CB -0.424 18.486 19.000 -0.150 0.000 0.806 414 A HN 0.426 nan 8.150 nan 0.000 0.448 415 E N 0.187 120.352 120.200 -0.059 0.000 2.401 415 E HA -0.117 4.233 4.350 -0.000 0.000 0.199 415 E C 1.681 178.222 176.600 -0.097 0.000 1.023 415 E CA 0.412 56.773 56.400 -0.064 0.000 0.859 415 E CB -0.357 29.329 29.700 -0.024 0.000 0.780 415 E HN 0.706 nan 8.360 nan 0.000 0.523 416 L N 0.280 121.433 121.223 -0.116 0.000 2.191 416 L HA -0.173 4.167 4.340 -0.000 0.000 0.212 416 L C 2.187 179.007 176.870 -0.084 0.000 1.103 416 L CA 0.433 55.205 54.840 -0.115 0.000 0.769 416 L CB -0.313 41.685 42.059 -0.102 0.000 0.908 416 L HN 0.140 nan 8.230 nan 0.000 0.438 417 I N 0.154 120.667 120.570 -0.094 0.000 2.127 417 I HA -0.178 3.992 4.170 -0.000 0.000 0.241 417 I C 0.068 176.081 176.117 -0.173 0.000 1.075 417 I CA 1.778 63.013 61.300 -0.109 0.000 1.334 417 I CB -2.574 35.357 38.000 -0.115 0.000 1.040 417 I HN 0.140 nan 8.210 nan 0.000 0.405 418 P HA -0.187 nan 4.420 nan 0.000 0.213 418 P C 1.777 178.819 177.300 -0.429 0.000 1.176 418 P CA 2.471 65.325 63.100 -0.410 0.000 0.919 418 P CB -0.146 31.402 31.700 -0.253 0.000 0.791 419 A N -0.786 121.983 122.820 -0.085 0.000 1.940 419 A HA -0.252 4.068 4.320 -0.000 0.000 0.221 419 A C 2.164 179.783 177.584 0.058 0.000 1.190 419 A CA 2.094 54.201 52.037 0.116 0.000 0.647 419 A CB -1.782 17.253 19.000 0.058 0.000 0.821 419 A HN 0.206 nan 8.150 nan 0.000 0.457 420 L N -0.536 120.669 121.223 -0.029 0.000 2.093 420 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 420 L C 2.425 179.294 176.870 -0.002 0.000 1.085 420 L CA 1.935 56.778 54.840 0.004 0.000 0.755 420 L CB -0.956 41.095 42.059 -0.014 0.000 0.904 420 L HN 0.494 nan 8.230 nan 0.000 0.435 421 C N -0.870 118.351 119.300 -0.133 0.000 2.453 421 C HA -0.112 4.347 4.460 -0.000 0.000 0.277 421 C C 2.505 177.505 174.990 0.018 0.000 1.262 421 C CA 0.336 59.275 59.018 -0.133 0.000 1.718 421 C CB -1.233 26.305 27.740 -0.336 0.000 2.031 421 C HN 0.523 nan 8.230 nan 0.000 0.480 422 F N 2.139 122.160 119.950 0.119 0.000 2.161 422 F HA -0.118 4.408 4.527 -0.000 0.000 0.300 422 F C 2.530 178.455 175.800 0.208 0.000 1.089 422 F CA 1.150 59.249 58.000 0.165 0.000 1.282 422 F CB -1.496 37.572 39.000 0.114 0.000 1.010 422 F HN 0.193 nan 8.300 nan 0.000 0.485 423 A N 0.271 123.298 122.820 0.345 0.000 1.859 423 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 423 A C 2.470 180.283 177.584 0.382 0.000 1.198 423 A CA 2.376 54.605 52.037 0.319 0.000 0.629 423 A CB -1.327 17.801 19.000 0.214 0.000 0.830 423 A HN 0.163 nan 8.150 nan 0.000 0.446 424 V N 0.097 120.185 119.914 0.290 0.000 2.282 424 V HA -0.317 3.803 4.120 -0.000 0.000 0.249 424 V C 2.439 178.756 176.094 0.373 0.000 1.057 424 V CA 2.297 64.774 62.300 0.295 0.000 1.032 424 V CB -0.809 31.140 31.823 0.211 0.000 0.645 424 V HN 0.574 nan 8.190 nan 0.000 0.447 425 I N -0.545 120.257 120.570 0.388 0.000 2.361 425 I HA -0.262 3.908 4.170 -0.000 0.000 0.251 425 I C 2.257 178.653 176.117 0.466 0.000 1.133 425 I CA 1.828 63.400 61.300 0.454 0.000 1.413 425 I CB -0.462 37.821 38.000 0.473 0.000 1.073 425 I HN 0.405 nan 8.210 nan 0.000 0.424 426 F N 1.348 121.469 119.950 0.284 0.000 2.186 426 F HA -0.179 4.348 4.527 -0.000 0.000 0.299 426 F C 2.089 177.980 175.800 0.151 0.000 1.090 426 F CA 1.412 59.528 58.000 0.193 0.000 1.307 426 F CB -0.275 38.812 39.000 0.145 0.000 1.019 426 F HN -0.110 nan 8.300 nan 0.000 0.489 427 I N 0.403 120.850 120.570 -0.206 0.000 2.127 427 I HA -0.256 3.914 4.170 -0.000 0.000 0.241 427 I C 2.329 178.297 176.117 -0.249 0.000 1.075 427 I CA 1.539 62.606 61.300 -0.388 0.000 1.334 427 I CB -1.354 36.574 38.000 -0.120 0.000 1.040 427 I HN 0.296 nan 8.210 nan 0.000 0.405 428 F N 1.723 121.631 119.950 -0.070 0.000 2.120 428 F HA -0.307 4.220 4.527 -0.000 0.000 0.300 428 F C 2.343 178.152 175.800 0.014 0.000 1.095 428 F CA 1.580 59.613 58.000 0.054 0.000 1.249 428 F CB -0.702 38.473 39.000 0.292 0.000 0.995 428 F HN 0.058 nan 8.300 nan 0.000 0.480 429 A N 0.296 122.951 122.820 -0.274 0.000 2.015 429 A HA -0.083 4.237 4.320 -0.000 0.000 0.219 429 A C 1.880 179.312 177.584 -0.253 0.000 1.163 429 A CA 1.054 52.904 52.037 -0.313 0.000 0.646 429 A CB -0.537 18.429 19.000 -0.056 0.000 0.806 429 A HN 0.448 nan 8.150 nan 0.000 0.448 430 R N -2.304 117.990 120.500 -0.343 0.000 3.863 430 R HA 0.449 4.788 4.340 -0.000 0.000 0.304 430 R C -0.791 175.423 176.300 -0.143 0.000 1.485 430 R CA -0.071 55.883 56.100 -0.244 0.000 1.355 430 R CB -0.265 29.845 30.300 -0.316 0.000 1.457 430 R HN 0.450 nan 8.270 nan 0.000 0.669 431 F N -0.348 119.349 119.950 -0.421 0.000 3.084 431 F HA 0.026 4.553 4.527 -0.000 0.000 0.297 431 F C 0.650 176.198 175.800 -0.420 0.000 1.152 431 F CA -0.277 57.450 58.000 -0.454 0.000 0.748 431 F CB 0.118 38.726 39.000 -0.653 0.000 1.756 431 F HN -0.014 nan 8.300 nan 0.000 0.464 432 R N -0.123 120.098 120.500 -0.466 0.000 2.280 432 R HA 0.416 4.756 4.340 -0.000 0.000 0.195 432 R C 0.512 176.604 176.300 -0.347 0.000 0.935 432 R CA 0.797 56.559 56.100 -0.564 0.000 1.033 432 R CB -0.874 28.909 30.300 -0.861 0.000 0.964 432 R HN 0.091 nan 8.270 nan 0.000 0.489 433 S N 1.078 116.533 115.700 -0.408 0.000 2.641 433 S HA 0.288 4.758 4.470 -0.000 0.000 0.261 433 S C -0.078 174.293 174.600 -0.382 0.000 1.257 433 S CA -0.661 57.289 58.200 -0.417 0.000 0.983 433 S CB 0.634 63.611 63.200 -0.371 0.000 0.990 433 S HN 0.450 nan 8.310 nan 0.000 0.572 434 Q N -0.264 119.333 119.800 -0.337 0.000 2.683 434 Q HA 0.516 4.856 4.340 -0.000 0.000 0.302 434 Q C -0.228 175.691 176.000 -0.135 0.000 1.042 434 Q CA -0.481 55.205 55.803 -0.196 0.000 0.773 434 Q CB 0.128 28.743 28.738 -0.204 0.000 1.508 434 Q HN 0.991 nan 8.270 nan 0.000 0.459 435 T N 0.000 114.511 114.554 -0.071 0.000 3.816 435 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 435 T CA 0.000 62.064 62.100 -0.060 0.000 1.349 435 T CB 0.000 68.836 68.868 -0.053 0.000 0.612 435 T HN 0.000 nan 8.240 nan 0.000 0.658