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 2pee_1_B DATA FIRST_RESID 36 DATA SEQUENCE VQAANLMDRI KANPVSEKNI DEKFIYNTAD FSIELFKNSI DDKENSLISP DATA SEQUENCE LSAMLALAMT ANGADNETLA QMEKALGKDI SIEDLNKYLY TYMKKLPNEE DATA SEQUENCE KSKLTIANSI WFKENDFMPS KDFLQIIADY YKADIFKAAF DSSTVSDINN DATA SEQUENCE WVKSKTNGMI DKILNKIDPE DVMYLINAVA FDAEWETVYE KASVHEDIFT DATA SEQUENCE DVYGNRQKVE FMNSEENLYI EEENAIGFVK PYAKNHYSFV AILPDENISV DATA SEQUENCE NEYIKTLTGQ KFIDLIKNAK ITLVRASLPK FKYEYTIKMN ETLESLGMTD DATA SEQUENCE AFLPDKADFS KLGKSDIGNL YISEVLHKTF ISVDELGTKA GAVTSVDITA DATA SEQUENCE AGIPVNFKTV KLNRPFIFAI IDNSTNLPIF IGTVLSL 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 36 V HA 0.000 nan 4.120 nan 0.000 0.244 36 V C 0.000 176.149 176.094 0.092 0.000 1.182 36 V CA 0.000 62.361 62.300 0.101 0.000 1.235 36 V CB 0.000 31.905 31.823 0.137 0.000 1.184 37 Q N 2.168 122.017 119.800 0.082 0.000 2.432 37 Q HA 0.741 5.081 4.340 -0.000 0.000 0.205 37 Q C 1.049 177.110 176.000 0.103 0.000 0.945 37 Q CA 2.081 57.932 55.803 0.081 0.000 0.924 37 Q CB 0.144 28.922 28.738 0.067 0.000 1.016 37 Q HN 2.738 nan 8.270 nan 0.000 0.503 38 A N -0.181 122.709 122.820 0.117 0.000 2.257 38 A HA 0.851 5.170 4.320 -0.000 0.000 0.289 38 A C 0.277 177.965 177.584 0.174 0.000 1.095 38 A CA -0.064 52.058 52.037 0.142 0.000 0.836 38 A CB 0.707 19.778 19.000 0.118 0.000 1.111 38 A HN 1.127 nan 8.150 nan 0.000 0.497 39 A N 0.944 123.886 122.820 0.203 0.000 2.288 39 A HA 0.563 4.883 4.320 -0.000 0.000 0.320 39 A C -0.269 177.410 177.584 0.159 0.000 1.217 39 A CA -0.650 51.488 52.037 0.169 0.000 0.840 39 A CB 0.261 19.326 19.000 0.108 0.000 1.179 39 A HN 0.709 nan 8.150 nan 0.000 0.504 40 N N 2.550 121.278 118.700 0.047 0.000 2.406 40 N HA 0.229 4.969 4.740 -0.000 0.000 0.251 40 N C 0.450 175.843 175.510 -0.195 0.000 1.069 40 N CA -0.309 52.572 53.050 -0.282 0.000 0.947 40 N CB 0.592 38.928 38.487 -0.251 0.000 1.111 40 N HN 0.612 nan 8.380 nan 0.000 0.497 41 L N 2.519 123.609 121.223 -0.222 0.000 2.650 41 L HA 0.066 4.406 4.340 -0.000 0.000 0.235 41 L C 1.235 178.051 176.870 -0.090 0.000 1.149 41 L CA 0.412 55.193 54.840 -0.098 0.000 0.887 41 L CB -0.178 41.863 42.059 -0.030 0.000 1.021 41 L HN 0.494 nan 8.230 nan 0.000 0.441 42 M N -1.650 117.870 119.600 -0.134 0.000 2.333 42 M HA 0.090 4.570 4.480 -0.000 0.000 0.257 42 M C 0.909 177.175 176.300 -0.056 0.000 1.078 42 M CA 0.395 55.643 55.300 -0.086 0.000 1.005 42 M CB -0.032 32.507 32.600 -0.102 0.000 1.444 42 M HN 0.091 nan 8.290 nan 0.000 0.496 43 D N 1.495 121.863 120.400 -0.053 0.000 2.149 43 D HA -0.082 4.558 4.640 -0.000 0.000 0.201 43 D C 2.312 178.601 176.300 -0.018 0.000 0.972 43 D CA 1.389 55.374 54.000 -0.025 0.000 0.835 43 D CB -0.106 40.686 40.800 -0.013 0.000 0.966 43 D HN 0.429 nan 8.370 nan 0.000 0.476 44 R N 0.897 121.384 120.500 -0.022 0.000 2.240 44 R HA 0.293 4.633 4.340 -0.000 0.000 0.203 44 R C 1.440 177.728 176.300 -0.020 0.000 1.011 44 R CA 0.945 57.034 56.100 -0.018 0.000 1.007 44 R CB -1.428 28.861 30.300 -0.019 0.000 0.911 44 R HN 0.282 nan 8.270 nan 0.000 0.468 45 I N 1.970 122.526 120.570 -0.023 0.000 2.308 45 I HA 0.708 4.878 4.170 -0.000 0.000 0.293 45 I C 0.769 176.873 176.117 -0.023 0.000 1.078 45 I CA -0.820 60.466 61.300 -0.022 0.000 1.292 45 I CB -0.493 37.495 38.000 -0.021 0.000 1.423 45 I HN 0.695 nan 8.210 nan 0.000 0.493 46 K N 4.293 124.678 120.400 -0.025 0.000 2.126 46 K HA 0.909 5.229 4.320 -0.000 0.000 0.257 46 K C 0.284 176.861 176.600 -0.039 0.000 1.007 46 K CA -0.008 56.263 56.287 -0.027 0.000 0.928 46 K CB 0.966 33.450 32.500 -0.026 0.000 1.013 46 K HN 2.445 nan 8.250 nan 0.000 0.473 47 A N 1.378 124.171 122.820 -0.046 0.000 2.337 47 A HA 0.704 5.024 4.320 -0.000 0.000 0.331 47 A C -0.908 176.621 177.584 -0.092 0.000 1.137 47 A CA -0.781 51.213 52.037 -0.071 0.000 0.807 47 A CB 0.851 19.815 19.000 -0.060 0.000 1.250 47 A HN 0.738 nan 8.150 nan 0.000 0.468 48 N N 2.266 120.882 118.700 -0.141 0.000 2.727 48 N HA 0.375 5.115 4.740 -0.000 0.000 0.252 48 N C -2.730 172.656 175.510 -0.207 0.000 1.283 48 N CA -0.894 52.070 53.050 -0.142 0.000 0.782 48 N CB 0.827 39.244 38.487 -0.117 0.000 1.199 48 N HN 0.568 nan 8.380 nan 0.000 0.520 49 P HA 0.172 nan 4.420 nan 0.000 0.271 49 P C -0.006 177.109 177.300 -0.307 0.000 1.212 49 P CA -0.058 62.887 63.100 -0.257 0.000 0.788 49 P CB 0.720 32.338 31.700 -0.136 0.000 0.865 50 V N -1.623 118.040 119.914 -0.418 0.000 4.646 50 V HA 0.620 4.740 4.120 -0.000 0.000 0.314 50 V C 0.369 176.330 176.094 -0.222 0.000 1.636 50 V CA 0.003 62.143 62.300 -0.267 0.000 0.841 50 V CB -0.283 31.404 31.823 -0.227 0.000 1.163 50 V HN 0.608 nan 8.190 nan 0.000 0.461 51 S N 1.381 117.006 115.700 -0.125 0.000 2.078 51 S HA 0.577 5.047 4.470 -0.000 0.000 0.168 51 S C 0.074 174.692 174.600 0.029 0.000 1.542 51 S CA -0.216 57.966 58.200 -0.029 0.000 1.223 51 S CB -0.577 62.606 63.200 -0.028 0.000 1.152 51 S HN 0.695 nan 8.310 nan 0.000 0.452 52 E N 1.725 121.982 120.200 0.095 0.000 3.666 52 E HA -0.167 4.183 4.350 -0.000 0.000 0.292 52 E C -0.186 176.452 176.600 0.063 0.000 0.764 52 E CA 0.830 57.311 56.400 0.134 0.000 1.027 52 E CB 0.156 29.923 29.700 0.112 0.000 0.873 52 E HN 0.566 nan 8.360 nan 0.000 0.551 53 K N 2.119 122.547 120.400 0.047 0.000 2.248 53 K HA 0.165 4.485 4.320 -0.000 0.000 0.281 53 K C 0.099 176.743 176.600 0.072 0.000 1.054 53 K CA 0.053 56.334 56.287 -0.011 0.000 0.903 53 K CB 0.456 32.837 32.500 -0.198 0.000 1.077 53 K HN 0.580 nan 8.250 nan 0.000 0.474 54 N N 4.803 123.552 118.700 0.080 0.000 2.513 54 N HA 0.101 4.841 4.740 -0.000 0.000 0.268 54 N C 0.173 175.771 175.510 0.145 0.000 1.180 54 N CA -0.337 52.771 53.050 0.096 0.000 0.948 54 N CB 0.223 38.753 38.487 0.072 0.000 1.083 54 N HN 0.363 nan 8.380 nan 0.000 0.455 55 I N 1.800 122.417 120.570 0.079 0.000 2.588 55 I HA 0.254 4.424 4.170 -0.000 0.000 0.283 55 I C 0.145 176.296 176.117 0.058 0.000 1.119 55 I CA -0.009 61.287 61.300 -0.006 0.000 1.419 55 I CB 0.331 38.319 38.000 -0.021 0.000 1.394 55 I HN 0.924 nan 8.210 nan 0.000 0.562 56 D N 4.023 124.454 120.400 0.051 0.000 2.812 56 D HA 0.155 4.794 4.640 -0.000 0.000 0.318 56 D C 0.512 176.862 176.300 0.083 0.000 1.234 56 D CA -0.462 53.590 54.000 0.087 0.000 0.989 56 D CB 0.607 41.478 40.800 0.119 0.000 1.442 56 D HN 0.190 nan 8.370 nan 0.000 0.537 57 E N -0.422 119.826 120.200 0.080 0.000 2.085 57 E HA -0.140 4.209 4.350 -0.000 0.000 0.194 57 E C 2.127 178.779 176.600 0.087 0.000 0.994 57 E CA 3.091 59.537 56.400 0.076 0.000 0.801 57 E CB -0.593 29.139 29.700 0.054 0.000 0.743 57 E HN 0.529 nan 8.360 nan 0.000 0.453 58 K N 0.018 120.471 120.400 0.087 0.000 2.026 58 K HA -0.154 4.166 4.320 -0.000 0.000 0.208 58 K C 2.136 178.782 176.600 0.075 0.000 1.048 58 K CA 1.608 57.956 56.287 0.100 0.000 0.929 58 K CB -1.328 31.257 32.500 0.142 0.000 0.713 58 K HN 0.314 nan 8.250 nan 0.000 0.439 59 F N 0.838 120.652 119.950 -0.228 0.000 2.113 59 F HA 0.021 4.548 4.527 -0.000 0.000 0.297 59 F C 2.127 177.781 175.800 -0.243 0.000 1.103 59 F CA 1.341 59.083 58.000 -0.429 0.000 1.248 59 F CB -0.052 38.356 39.000 -0.987 0.000 0.999 59 F HN 0.127 nan 8.300 nan 0.000 0.475 60 I N -0.573 119.937 120.570 -0.098 0.000 2.151 60 I HA -0.372 3.798 4.170 -0.000 0.000 0.243 60 I C 2.340 178.381 176.117 -0.127 0.000 1.080 60 I CA 2.058 63.281 61.300 -0.128 0.000 1.339 60 I CB -0.798 37.217 38.000 0.025 0.000 1.039 60 I HN 0.268 nan 8.210 nan 0.000 0.409 61 Y N 1.888 122.113 120.300 -0.124 0.000 2.181 61 Y HA -0.310 4.240 4.550 -0.000 0.000 0.288 61 Y C 2.349 178.178 175.900 -0.119 0.000 1.146 61 Y CA 2.039 60.088 58.100 -0.085 0.000 1.164 61 Y CB -0.315 38.122 38.460 -0.040 0.000 0.982 61 Y HN 0.158 nan 8.280 nan 0.000 0.515 62 N N -0.757 117.892 118.700 -0.084 0.000 2.084 62 N HA -0.151 4.589 4.740 -0.000 0.000 0.190 62 N C 1.755 177.094 175.510 -0.286 0.000 1.030 62 N CA 2.179 55.130 53.050 -0.166 0.000 0.849 62 N CB -0.586 37.835 38.487 -0.109 0.000 1.012 62 N HN 0.347 nan 8.380 nan 0.000 0.423 63 T N -0.064 114.200 114.554 -0.482 0.000 2.821 63 T HA -0.032 4.318 4.350 -0.000 0.000 0.267 63 T C 1.848 176.408 174.700 -0.233 0.000 1.046 63 T CA 1.197 63.023 62.100 -0.457 0.000 1.139 63 T CB -0.383 67.971 68.868 -0.857 0.000 0.871 63 T HN 0.324 nan 8.240 nan 0.000 0.454 64 A N 1.545 124.213 122.820 -0.254 0.000 1.898 64 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 64 A C 2.108 179.563 177.584 -0.216 0.000 1.181 64 A CA 1.931 53.856 52.037 -0.187 0.000 0.620 64 A CB -0.746 18.174 19.000 -0.133 0.000 0.819 64 A HN 0.474 nan 8.150 nan 0.000 0.442 65 D N -1.202 119.018 120.400 -0.301 0.000 2.084 65 D HA -0.176 4.463 4.640 -0.000 0.000 0.194 65 D C 1.694 177.921 176.300 -0.122 0.000 0.990 65 D CA 1.587 55.428 54.000 -0.265 0.000 0.826 65 D CB -0.328 40.251 40.800 -0.368 0.000 0.971 65 D HN 0.358 nan 8.370 nan 0.000 0.453 66 F N 0.911 120.742 119.950 -0.199 0.000 2.091 66 F HA -0.226 4.301 4.527 -0.000 0.000 0.299 66 F C 2.410 178.134 175.800 -0.127 0.000 1.103 66 F CA 1.912 59.831 58.000 -0.134 0.000 1.228 66 F CB -0.556 38.373 39.000 -0.119 0.000 0.984 66 F HN -0.096 nan 8.300 nan 0.000 0.477 67 S N 1.181 116.824 115.700 -0.095 0.000 2.359 67 S HA -0.213 4.257 4.470 -0.000 0.000 0.222 67 S C 2.004 176.433 174.600 -0.286 0.000 1.038 67 S CA 1.678 59.748 58.200 -0.217 0.000 1.051 67 S CB -0.566 62.531 63.200 -0.171 0.000 0.944 67 S HN 0.331 nan 8.310 nan 0.000 0.433 68 I N 1.897 122.315 120.570 -0.254 0.000 2.226 68 I HA -0.107 4.063 4.170 -0.000 0.000 0.245 68 I C 2.443 178.470 176.117 -0.149 0.000 1.100 68 I CA 1.281 62.471 61.300 -0.183 0.000 1.374 68 I CB -1.527 36.369 38.000 -0.174 0.000 1.057 68 I HN 0.250 nan 8.210 nan 0.000 0.413 69 E N 0.544 120.621 120.200 -0.205 0.000 2.077 69 E HA -0.215 4.135 4.350 -0.000 0.000 0.193 69 E C 2.238 178.688 176.600 -0.250 0.000 0.989 69 E CA 0.891 57.168 56.400 -0.205 0.000 0.800 69 E CB -0.586 29.005 29.700 -0.182 0.000 0.746 69 E HN 0.346 nan 8.360 nan 0.000 0.452 70 L N 0.410 121.397 121.223 -0.394 0.000 2.012 70 L HA -0.168 4.172 4.340 -0.000 0.000 0.210 70 L C 2.278 179.055 176.870 -0.154 0.000 1.073 70 L CA 1.417 56.032 54.840 -0.374 0.000 0.748 70 L CB -0.586 41.103 42.059 -0.616 0.000 0.891 70 L HN 0.017 nan 8.230 nan 0.000 0.431 71 F N 1.534 121.305 119.950 -0.298 0.000 2.069 71 F HA -0.262 4.264 4.527 -0.000 0.000 0.298 71 F C 2.451 178.143 175.800 -0.180 0.000 1.113 71 F CA 2.295 60.154 58.000 -0.233 0.000 1.214 71 F CB -0.677 38.167 39.000 -0.261 0.000 0.978 71 F HN 0.282 nan 8.300 nan 0.000 0.474 72 K N -0.468 119.744 120.400 -0.314 0.000 2.504 72 K HA -0.086 4.233 4.320 -0.000 0.000 0.195 72 K C 0.890 177.332 176.600 -0.264 0.000 1.036 72 K CA 1.372 57.427 56.287 -0.386 0.000 0.984 72 K CB -0.646 31.689 32.500 -0.275 0.000 0.788 72 K HN 0.406 nan 8.250 nan 0.000 0.488 73 N N 1.162 119.741 118.700 -0.202 0.000 2.230 73 N HA 0.009 4.748 4.740 -0.000 0.000 0.202 73 N C 0.016 175.458 175.510 -0.114 0.000 1.119 73 N CA 0.362 53.326 53.050 -0.144 0.000 0.851 73 N CB 0.848 39.263 38.487 -0.121 0.000 0.990 73 N HN 0.328 nan 8.380 nan 0.000 0.497 74 S N -0.282 115.343 115.700 -0.124 0.000 2.952 74 S HA 0.299 4.769 4.470 -0.000 0.000 0.251 74 S C 0.159 174.732 174.600 -0.047 0.000 1.021 74 S CA -0.537 57.636 58.200 -0.045 0.000 1.067 74 S CB -0.473 62.736 63.200 0.015 0.000 1.002 74 S HN 0.061 nan 8.310 nan 0.000 0.574 75 I N 2.591 123.067 120.570 -0.157 0.000 2.505 75 I HA 0.200 4.370 4.170 -0.000 0.000 0.287 75 I C 0.297 176.372 176.117 -0.071 0.000 1.104 75 I CA -0.183 61.010 61.300 -0.178 0.000 1.387 75 I CB 0.197 38.036 38.000 -0.269 0.000 1.404 75 I HN 0.170 nan 8.210 nan 0.000 0.528 76 D N 5.952 126.337 120.400 -0.024 0.000 2.390 76 D HA -0.012 4.628 4.640 -0.000 0.000 0.249 76 D C 0.518 176.806 176.300 -0.021 0.000 1.144 76 D CA -0.011 54.002 54.000 0.023 0.000 0.880 76 D CB 1.217 42.065 40.800 0.080 0.000 1.182 76 D HN 0.490 nan 8.370 nan 0.000 0.451 77 D N 2.675 123.070 120.400 -0.008 0.000 2.234 77 D HA -0.044 4.596 4.640 -0.000 0.000 0.205 77 D C 1.265 177.554 176.300 -0.019 0.000 0.962 77 D CA 0.976 54.959 54.000 -0.027 0.000 0.855 77 D CB 0.466 41.257 40.800 -0.014 0.000 0.951 77 D HN 0.421 nan 8.370 nan 0.000 0.500 78 K N -0.509 119.916 120.400 0.042 0.000 2.387 78 K HA 0.169 4.489 4.320 -0.000 0.000 0.197 78 K C 0.374 177.056 176.600 0.138 0.000 1.127 78 K CA 0.024 56.391 56.287 0.132 0.000 0.950 78 K CB 1.126 33.721 32.500 0.159 0.000 1.017 78 K HN -0.094 nan 8.250 nan 0.000 0.519 79 E N 1.012 121.256 120.200 0.073 0.000 2.244 79 E HA 0.221 4.571 4.350 -0.000 0.000 0.266 79 E C -1.097 175.458 176.600 -0.074 0.000 0.914 79 E CA -0.710 55.716 56.400 0.043 0.000 0.794 79 E CB 1.035 30.808 29.700 0.122 0.000 1.210 79 E HN -0.051 nan 8.360 nan 0.000 0.414 80 N N 0.884 119.456 118.700 -0.214 0.000 2.411 80 N HA 0.071 4.811 4.740 -0.000 0.000 0.261 80 N C -0.854 174.396 175.510 -0.434 0.000 1.248 80 N CA 0.124 52.906 53.050 -0.448 0.000 0.885 80 N CB 0.435 38.310 38.487 -1.019 0.000 1.062 80 N HN 0.412 nan 8.380 nan 0.000 0.471 81 S N 1.468 116.925 115.700 -0.405 0.000 2.568 81 S HA 0.784 5.254 4.470 -0.000 0.000 0.302 81 S C -0.738 173.667 174.600 -0.325 0.000 1.082 81 S CA -0.897 56.774 58.200 -0.882 0.000 1.009 81 S CB 1.836 64.637 63.200 -0.664 0.000 1.069 81 S HN 0.403 nan 8.310 nan 0.000 0.500 82 L N 2.595 123.573 121.223 -0.408 0.000 2.543 82 L HA 0.725 5.065 4.340 -0.000 0.000 0.265 82 L C -1.264 175.722 176.870 0.193 0.000 0.945 82 L CA -0.558 54.289 54.840 0.012 0.000 0.869 82 L CB 1.652 43.790 42.059 0.132 0.000 1.294 82 L HN 0.980 nan 8.230 nan 0.000 0.405 83 I N 0.409 121.053 120.570 0.124 0.000 2.892 83 I HA 0.749 4.919 4.170 -0.000 0.000 0.306 83 I C -0.897 175.347 176.117 0.212 0.000 1.078 83 I CA -0.652 60.757 61.300 0.182 0.000 1.032 83 I CB 2.438 40.407 38.000 -0.051 0.000 1.229 83 I HN 0.572 nan 8.210 nan 0.000 0.435 84 S N 3.719 119.602 115.700 0.304 0.000 2.528 84 S HA 0.525 4.994 4.470 -0.000 0.000 0.303 84 S C -1.934 172.725 174.600 0.099 0.000 1.123 84 S CA -1.536 56.699 58.200 0.058 0.000 1.138 84 S CB 0.752 63.904 63.200 -0.081 0.000 0.984 84 S HN 0.578 nan 8.310 nan 0.000 0.474 85 P HA -0.052 nan 4.420 nan 0.000 0.218 85 P C 1.511 178.930 177.300 0.198 0.000 1.149 85 P CA 0.262 63.407 63.100 0.076 0.000 0.817 85 P CB 0.143 31.823 31.700 -0.034 0.000 0.785 86 L N -0.135 121.154 121.223 0.109 0.000 2.017 86 L HA -0.145 4.194 4.340 -0.000 0.000 0.208 86 L C 2.470 179.445 176.870 0.176 0.000 1.073 86 L CA 2.166 57.094 54.840 0.147 0.000 0.745 86 L CB -1.583 40.555 42.059 0.131 0.000 0.894 86 L HN -0.061 nan 8.230 nan 0.000 0.432 87 S N -0.884 114.910 115.700 0.156 0.000 2.383 87 S HA -0.190 4.280 4.470 -0.000 0.000 0.229 87 S C 2.071 176.826 174.600 0.258 0.000 1.030 87 S CA 1.334 59.646 58.200 0.187 0.000 1.002 87 S CB -0.435 62.853 63.200 0.145 0.000 0.829 87 S HN 0.626 nan 8.310 nan 0.000 0.467 88 A N 1.046 124.063 122.820 0.328 0.000 1.930 88 A HA 0.182 4.502 4.320 -0.000 0.000 0.215 88 A C 2.257 180.013 177.584 0.287 0.000 1.176 88 A CA 1.293 53.545 52.037 0.358 0.000 0.632 88 A CB -0.655 18.559 19.000 0.357 0.000 0.819 88 A HN 0.658 nan 8.150 nan 0.000 0.445 89 M N -0.441 119.291 119.600 0.219 0.000 2.132 89 M HA -0.057 4.423 4.480 -0.000 0.000 0.263 89 M C 1.857 178.187 176.300 0.050 0.000 1.065 89 M CA 1.444 56.683 55.300 -0.101 0.000 1.122 89 M CB -0.261 32.171 32.600 -0.279 0.000 1.365 89 M HN 0.405 nan 8.290 nan 0.000 0.411 90 L N -0.088 121.238 121.223 0.171 0.000 2.079 90 L HA -0.208 4.131 4.340 -0.000 0.000 0.210 90 L C 2.675 179.638 176.870 0.155 0.000 1.081 90 L CA 1.284 56.279 54.840 0.257 0.000 0.752 90 L CB -0.904 41.329 42.059 0.291 0.000 0.896 90 L HN 0.419 nan 8.230 nan 0.000 0.433 91 A N -0.092 122.818 122.820 0.150 0.000 1.873 91 A HA -0.132 4.188 4.320 -0.000 0.000 0.215 91 A C 2.214 179.845 177.584 0.078 0.000 1.186 91 A CA 1.204 53.313 52.037 0.120 0.000 0.616 91 A CB -0.560 18.549 19.000 0.182 0.000 0.823 91 A HN 0.331 nan 8.150 nan 0.000 0.442 92 L N -0.807 120.475 121.223 0.097 0.000 2.056 92 L HA -0.152 4.188 4.340 -0.000 0.000 0.207 92 L C 3.115 180.010 176.870 0.043 0.000 1.078 92 L CA 1.012 55.903 54.840 0.086 0.000 0.749 92 L CB -0.526 41.583 42.059 0.083 0.000 0.901 92 L HN 0.437 nan 8.230 nan 0.000 0.433 93 A N 0.709 123.540 122.820 0.018 0.000 1.902 93 A HA -0.251 4.069 4.320 -0.000 0.000 0.217 93 A C 2.335 179.887 177.584 -0.053 0.000 1.181 93 A CA 2.075 54.142 52.037 0.050 0.000 0.623 93 A CB -0.539 18.574 19.000 0.188 0.000 0.818 93 A HN 0.562 nan 8.150 nan 0.000 0.443 94 M N -1.807 117.571 119.600 -0.369 0.000 2.288 94 M HA -0.030 4.450 4.480 -0.000 0.000 0.266 94 M C 1.673 177.900 176.300 -0.122 0.000 1.072 94 M CA 2.169 57.038 55.300 -0.718 0.000 1.132 94 M CB -1.062 30.725 32.600 -1.354 0.000 1.386 94 M HN 0.120 nan 8.290 nan 0.000 0.432 95 T N 1.542 116.128 114.554 0.054 0.000 2.915 95 T HA 0.095 4.444 4.350 -0.000 0.000 0.269 95 T C 2.133 177.036 174.700 0.338 0.000 1.071 95 T CA 1.351 63.614 62.100 0.273 0.000 1.132 95 T CB -0.383 68.591 68.868 0.177 0.000 0.878 95 T HN 0.603 nan 8.240 nan 0.000 0.479 96 A N 2.737 125.675 122.820 0.196 0.000 1.908 96 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 96 A C 2.251 179.937 177.584 0.171 0.000 1.181 96 A CA 1.404 53.534 52.037 0.155 0.000 0.627 96 A CB -0.706 18.348 19.000 0.090 0.000 0.818 96 A HN 0.457 nan 8.150 nan 0.000 0.445 97 N N -0.084 118.732 118.700 0.193 0.000 2.184 97 N HA -0.175 4.565 4.740 -0.000 0.000 0.190 97 N C 1.587 177.300 175.510 0.339 0.000 1.011 97 N CA 1.581 54.761 53.050 0.217 0.000 0.867 97 N CB -0.386 38.188 38.487 0.146 0.000 0.993 97 N HN 0.538 nan 8.380 nan 0.000 0.433 98 G N -0.489 108.606 108.800 0.492 0.000 2.985 98 G HA2 0.339 4.299 3.960 -0.000 0.000 0.209 98 G HA3 0.339 4.299 3.960 -0.000 0.000 0.209 98 G C 0.291 175.308 174.900 0.194 0.000 1.165 98 G CA 0.215 45.518 45.100 0.337 0.000 0.776 98 G HN 0.370 nan 8.290 nan 0.000 0.541 99 A N -0.241 122.618 122.820 0.065 0.000 2.306 99 A HA 0.672 4.992 4.320 -0.000 0.000 0.330 99 A C -0.933 176.574 177.584 -0.129 0.000 1.146 99 A CA -0.499 51.398 52.037 -0.233 0.000 0.827 99 A CB 1.477 20.251 19.000 -0.377 0.000 1.178 99 A HN 0.117 nan 8.150 nan 0.000 0.490 100 D N -0.153 120.142 120.400 -0.175 0.000 2.531 100 D HA 0.341 4.981 4.640 -0.000 0.000 0.244 100 D C 0.187 176.426 176.300 -0.102 0.000 1.090 100 D CA 0.042 53.984 54.000 -0.096 0.000 0.989 100 D CB 1.153 41.917 40.800 -0.060 0.000 1.433 100 D HN 0.617 nan 8.370 nan 0.000 0.492 101 N N 0.608 119.271 118.700 -0.061 0.000 1.149 101 N HA -0.326 4.414 4.740 -0.000 0.000 0.118 101 N C 0.947 176.424 175.510 -0.056 0.000 0.756 101 N CA 1.257 54.277 53.050 -0.049 0.000 0.861 101 N CB -0.835 37.625 38.487 -0.044 0.000 1.099 101 N HN 0.561 nan 8.380 nan 0.000 0.597 102 E N 0.883 121.051 120.200 -0.052 0.000 2.204 102 E HA -0.024 4.325 4.350 -0.000 0.000 0.195 102 E C 1.676 178.238 176.600 -0.064 0.000 0.990 102 E CA 2.027 58.401 56.400 -0.043 0.000 0.821 102 E CB -0.373 29.310 29.700 -0.029 0.000 0.750 102 E HN 0.545 nan 8.360 nan 0.000 0.477 103 T N -0.293 114.188 114.554 -0.121 0.000 2.770 103 T HA -0.101 4.249 4.350 -0.000 0.000 0.263 103 T C 2.129 176.731 174.700 -0.163 0.000 1.039 103 T CA 1.765 63.752 62.100 -0.188 0.000 1.142 103 T CB -0.638 67.994 68.868 -0.393 0.000 0.868 103 T HN 0.289 nan 8.240 nan 0.000 0.435 104 L N 1.243 122.375 121.223 -0.152 0.000 2.046 104 L HA 0.323 4.663 4.340 -0.000 0.000 0.208 104 L C 3.000 179.851 176.870 -0.032 0.000 1.077 104 L CA 2.320 57.109 54.840 -0.084 0.000 0.747 104 L CB -2.097 39.924 42.059 -0.064 0.000 0.896 104 L HN 0.504 nan 8.230 nan 0.000 0.432 105 A N -1.251 121.552 122.820 -0.028 0.000 1.883 105 A HA -0.330 3.990 4.320 -0.000 0.000 0.217 105 A C 2.269 179.860 177.584 0.011 0.000 1.186 105 A CA 1.892 53.926 52.037 -0.004 0.000 0.624 105 A CB -0.672 18.325 19.000 -0.006 0.000 0.822 105 A HN 0.797 nan 8.150 nan 0.000 0.444 106 Q N -1.168 118.637 119.800 0.008 0.000 2.084 106 Q HA -0.114 4.226 4.340 -0.000 0.000 0.202 106 Q C 2.210 178.243 176.000 0.055 0.000 0.978 106 Q CA 1.716 57.540 55.803 0.035 0.000 0.844 106 Q CB -0.259 28.503 28.738 0.039 0.000 0.898 106 Q HN 0.734 nan 8.270 nan 0.000 0.426 107 M N -0.058 119.567 119.600 0.041 0.000 2.175 107 M HA -0.156 4.324 4.480 -0.000 0.000 0.264 107 M C 2.485 178.821 176.300 0.059 0.000 1.063 107 M CA 1.756 57.095 55.300 0.065 0.000 1.119 107 M CB -0.342 32.290 32.600 0.054 0.000 1.377 107 M HN 0.336 nan 8.290 nan 0.000 0.415 108 E N 1.341 121.565 120.200 0.041 0.000 2.051 108 E HA -0.182 4.168 4.350 -0.000 0.000 0.192 108 E C 2.175 178.806 176.600 0.052 0.000 0.991 108 E CA 2.186 58.611 56.400 0.040 0.000 0.799 108 E CB -1.172 28.547 29.700 0.032 0.000 0.748 108 E HN 0.633 nan 8.360 nan 0.000 0.449 109 K N 0.438 120.870 120.400 0.054 0.000 2.103 109 K HA 0.250 4.570 4.320 -0.000 0.000 0.207 109 K C 2.693 179.346 176.600 0.088 0.000 1.048 109 K CA 1.939 58.264 56.287 0.063 0.000 0.930 109 K CB -1.196 31.336 32.500 0.053 0.000 0.716 109 K HN 0.857 nan 8.250 nan 0.000 0.444 110 A N 0.692 123.578 122.820 0.111 0.000 1.908 110 A HA 0.027 4.347 4.320 -0.000 0.000 0.218 110 A C 2.473 180.202 177.584 0.242 0.000 1.181 110 A CA 1.663 53.807 52.037 0.178 0.000 0.627 110 A CB -0.285 18.841 19.000 0.210 0.000 0.818 110 A HN 0.457 nan 8.150 nan 0.000 0.445 111 L N -1.895 119.399 121.223 0.118 0.000 2.162 111 L HA 0.307 4.647 4.340 -0.000 0.000 0.205 111 L C 1.120 178.012 176.870 0.037 0.000 1.086 111 L CA 0.702 55.540 54.840 -0.003 0.000 0.778 111 L CB -0.213 41.773 42.059 -0.123 0.000 0.928 111 L HN 0.553 nan 8.230 nan 0.000 0.446 112 G N -1.127 107.709 108.800 0.059 0.000 2.661 112 G HA2 0.154 4.114 3.960 -0.000 0.000 0.262 112 G HA3 0.154 4.114 3.960 -0.000 0.000 0.262 112 G C 0.221 175.160 174.900 0.065 0.000 1.310 112 G CA -0.145 44.994 45.100 0.065 0.000 1.160 112 G HN -0.048 nan 8.290 nan 0.000 0.598 113 K N 1.352 121.790 120.400 0.065 0.000 2.074 113 K HA -0.175 4.145 4.320 -0.000 0.000 0.209 113 K C 2.033 178.668 176.600 0.059 0.000 1.048 113 K CA 2.449 58.769 56.287 0.055 0.000 0.926 113 K CB -0.715 31.815 32.500 0.049 0.000 0.713 113 K HN 0.950 nan 8.250 nan 0.000 0.444 114 D N -0.730 119.711 120.400 0.069 0.000 2.392 114 D HA -0.009 4.631 4.640 -0.000 0.000 0.228 114 D C -0.153 176.200 176.300 0.089 0.000 1.003 114 D CA 0.492 54.535 54.000 0.071 0.000 0.917 114 D CB -0.422 40.420 40.800 0.070 0.000 0.890 114 D HN 0.313 nan 8.370 nan 0.000 0.532 115 I N 0.756 121.387 120.570 0.101 0.000 2.418 115 I HA 0.486 4.656 4.170 -0.000 0.000 0.287 115 I C 1.010 177.186 176.117 0.098 0.000 1.008 115 I CA -1.187 60.194 61.300 0.134 0.000 1.104 115 I CB 0.356 38.480 38.000 0.206 0.000 1.264 115 I HN 0.284 nan 8.210 nan 0.000 0.438 116 S N 4.133 119.878 115.700 0.074 0.000 2.566 116 S HA 0.335 4.805 4.470 -0.000 0.000 0.280 116 S C 1.411 176.038 174.600 0.045 0.000 1.343 116 S CA -0.204 58.020 58.200 0.041 0.000 1.036 116 S CB 0.121 63.327 63.200 0.009 0.000 0.866 116 S HN 0.593 nan 8.310 nan 0.000 0.526 117 I N 2.443 123.031 120.570 0.031 0.000 2.179 117 I HA -0.160 4.010 4.170 -0.000 0.000 0.242 117 I C 3.007 179.114 176.117 -0.017 0.000 1.088 117 I CA 1.978 63.296 61.300 0.030 0.000 1.357 117 I CB -2.032 35.988 38.000 0.035 0.000 1.051 117 I HN 0.895 nan 8.210 nan 0.000 0.409 118 E N 0.993 121.167 120.200 -0.043 0.000 2.097 118 E HA -0.289 4.061 4.350 -0.000 0.000 0.196 118 E C 1.834 178.327 176.600 -0.179 0.000 1.000 118 E CA 2.080 58.415 56.400 -0.109 0.000 0.804 118 E CB -0.899 28.759 29.700 -0.071 0.000 0.740 118 E HN 0.527 nan 8.360 nan 0.000 0.454 119 D N -0.801 119.525 120.400 -0.124 0.000 2.234 119 D HA 0.010 4.650 4.640 -0.000 0.000 0.205 119 D C 1.794 178.013 176.300 -0.134 0.000 0.962 119 D CA 0.313 54.196 54.000 -0.194 0.000 0.855 119 D CB -0.026 40.670 40.800 -0.173 0.000 0.951 119 D HN 0.285 nan 8.370 nan 0.000 0.500 120 L N 1.141 122.383 121.223 0.031 0.000 2.046 120 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 120 L C 1.643 178.543 176.870 0.049 0.000 1.077 120 L CA 1.467 56.413 54.840 0.175 0.000 0.747 120 L CB -0.821 41.338 42.059 0.167 0.000 0.896 120 L HN 0.005 nan 8.230 nan 0.000 0.432 121 N N 0.312 118.928 118.700 -0.139 0.000 2.037 121 N HA -0.265 4.475 4.740 -0.000 0.000 0.196 121 N C 1.895 177.078 175.510 -0.545 0.000 1.034 121 N CA 2.399 55.172 53.050 -0.462 0.000 0.861 121 N CB -0.561 37.361 38.487 -0.940 0.000 1.039 121 N HN 0.468 nan 8.380 nan 0.000 0.427 122 K N 1.108 121.215 120.400 -0.489 0.000 2.002 122 K HA -0.101 4.219 4.320 -0.000 0.000 0.209 122 K C 2.132 178.747 176.600 0.026 0.000 1.048 122 K CA 1.431 57.645 56.287 -0.121 0.000 0.930 122 K CB -1.661 30.745 32.500 -0.156 0.000 0.714 122 K HN 0.370 nan 8.250 nan 0.000 0.438 123 Y N 0.460 120.689 120.300 -0.119 0.000 2.139 123 Y HA -0.218 4.332 4.550 -0.000 0.000 0.282 123 Y C 2.433 178.166 175.900 -0.279 0.000 1.179 123 Y CA 1.357 59.293 58.100 -0.274 0.000 1.161 123 Y CB -0.118 38.128 38.460 -0.357 0.000 0.970 123 Y HN 0.098 nan 8.280 nan 0.000 0.511 124 L N -1.834 119.421 121.223 0.054 0.000 2.179 124 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 124 L C 2.264 179.161 176.870 0.046 0.000 1.096 124 L CA 0.728 55.614 54.840 0.077 0.000 0.779 124 L CB -0.568 41.562 42.059 0.119 0.000 0.922 124 L HN 0.289 nan 8.230 nan 0.000 0.443 125 Y N 1.092 121.344 120.300 -0.080 0.000 2.151 125 Y HA -0.326 4.224 4.550 -0.000 0.000 0.284 125 Y C 2.498 178.397 175.900 -0.002 0.000 1.166 125 Y CA 2.334 60.412 58.100 -0.036 0.000 1.163 125 Y CB -0.516 37.995 38.460 0.086 0.000 0.974 125 Y HN 0.077 nan 8.280 nan 0.000 0.511 126 T N -0.119 114.447 114.554 0.020 0.000 2.668 126 T HA -0.251 4.099 4.350 -0.000 0.000 0.262 126 T C 1.473 176.128 174.700 -0.075 0.000 1.045 126 T CA 1.658 63.728 62.100 -0.051 0.000 1.152 126 T CB -1.118 67.797 68.868 0.078 0.000 0.864 126 T HN 0.515 nan 8.240 nan 0.000 0.419 127 Y N 1.879 122.092 120.300 -0.144 0.000 2.102 127 Y HA -0.228 4.322 4.550 -0.000 0.000 0.280 127 Y C 2.327 178.190 175.900 -0.062 0.000 1.178 127 Y CA 1.309 59.349 58.100 -0.100 0.000 1.146 127 Y CB -0.473 37.934 38.460 -0.089 0.000 0.968 127 Y HN 0.054 nan 8.280 nan 0.000 0.504 128 M N 0.250 119.776 119.600 -0.123 0.000 2.117 128 M HA -0.153 4.327 4.480 -0.000 0.000 0.262 128 M C 2.412 178.576 176.300 -0.227 0.000 1.065 128 M CA 2.287 57.479 55.300 -0.180 0.000 1.114 128 M CB -1.636 30.917 32.600 -0.077 0.000 1.361 128 M HN 0.332 nan 8.290 nan 0.000 0.408 129 K N 0.961 121.181 120.400 -0.299 0.000 2.280 129 K HA -0.079 4.240 4.320 -0.000 0.000 0.202 129 K C 2.065 178.542 176.600 -0.205 0.000 1.047 129 K CA 2.068 58.177 56.287 -0.296 0.000 0.942 129 K CB -1.248 30.978 32.500 -0.456 0.000 0.739 129 K HN 0.590 nan 8.250 nan 0.000 0.457 130 K N -0.025 120.256 120.400 -0.199 0.000 2.402 130 K HA 0.470 4.790 4.320 -0.000 0.000 0.204 130 K C 0.691 177.169 176.600 -0.204 0.000 1.056 130 K CA -0.087 56.104 56.287 -0.161 0.000 1.069 130 K CB -0.126 32.313 32.500 -0.102 0.000 0.888 130 K HN 0.381 nan 8.250 nan 0.000 0.546 131 L N 2.520 123.572 121.223 -0.285 0.000 2.578 131 L HA 0.083 4.423 4.340 -0.000 0.000 0.279 131 L C -2.162 174.613 176.870 -0.158 0.000 1.227 131 L CA -1.390 53.291 54.840 -0.265 0.000 0.900 131 L CB 0.923 42.830 42.059 -0.254 0.000 1.144 131 L HN 0.199 nan 8.230 nan 0.000 0.496 132 P HA 0.065 nan 4.420 nan 0.000 0.266 132 P C -1.052 176.259 177.300 0.017 0.000 1.195 132 P CA 0.048 63.015 63.100 -0.223 0.000 0.768 132 P CB 0.431 31.767 31.700 -0.606 0.000 0.838 133 N N 1.439 120.128 118.700 -0.018 0.000 2.519 133 N HA 0.347 5.087 4.740 -0.000 0.000 0.291 133 N C -1.505 174.007 175.510 0.003 0.000 1.107 133 N CA -0.501 52.557 53.050 0.013 0.000 0.904 133 N CB 1.321 39.797 38.487 -0.017 0.000 1.500 133 N HN 0.459 nan 8.380 nan 0.000 0.510 134 E N 1.349 121.557 120.200 0.013 0.000 2.421 134 E HA 0.031 4.381 4.350 -0.000 0.000 0.278 134 E C -0.602 175.994 176.600 -0.008 0.000 1.141 134 E CA -0.742 55.666 56.400 0.013 0.000 0.880 134 E CB 0.514 30.245 29.700 0.053 0.000 1.381 134 E HN 0.341 nan 8.360 nan 0.000 0.436 135 E N 0.014 120.208 120.200 -0.011 0.000 2.268 135 E HA -0.078 4.272 4.350 -0.000 0.000 0.195 135 E C 0.633 177.196 176.600 -0.061 0.000 0.995 135 E CA 0.925 57.301 56.400 -0.040 0.000 0.836 135 E CB 0.154 29.837 29.700 -0.027 0.000 0.763 135 E HN 0.268 nan 8.360 nan 0.000 0.491 136 K N -0.503 119.880 120.400 -0.028 0.000 2.399 136 K HA 0.177 4.496 4.320 -0.000 0.000 0.204 136 K C -0.395 176.171 176.600 -0.058 0.000 1.023 136 K CA -0.044 56.220 56.287 -0.038 0.000 1.127 136 K CB 1.106 33.618 32.500 0.021 0.000 0.856 136 K HN -0.199 nan 8.250 nan 0.000 0.514 137 S N 1.079 116.733 115.700 -0.077 0.000 2.548 137 S HA 0.174 4.644 4.470 -0.000 0.000 0.168 137 S C -1.047 173.454 174.600 -0.164 0.000 1.068 137 S CA -0.727 57.389 58.200 -0.139 0.000 1.129 137 S CB 1.042 64.413 63.200 0.285 0.000 1.435 137 S HN 0.250 nan 8.310 nan 0.000 0.410 138 K N 1.589 121.754 120.400 -0.390 0.000 2.367 138 K HA 0.758 5.078 4.320 -0.000 0.000 0.263 138 K C -0.810 175.628 176.600 -0.270 0.000 1.000 138 K CA -0.725 55.419 56.287 -0.239 0.000 0.891 138 K CB 0.897 33.291 32.500 -0.178 0.000 1.117 138 K HN 0.412 nan 8.250 nan 0.000 0.443 139 L N 1.865 123.045 121.223 -0.072 0.000 2.275 139 L HA 0.575 4.915 4.340 -0.000 0.000 0.288 139 L C -0.284 176.602 176.870 0.027 0.000 1.046 139 L CA 0.272 55.155 54.840 0.072 0.000 0.805 139 L CB 1.771 43.872 42.059 0.071 0.000 1.193 139 L HN 0.625 nan 8.230 nan 0.000 0.426 140 T N 7.065 121.649 114.554 0.050 0.000 2.788 140 T HA 0.532 4.882 4.350 -0.000 0.000 0.296 140 T C -0.060 174.656 174.700 0.028 0.000 1.009 140 T CA -0.021 62.089 62.100 0.017 0.000 0.949 140 T CB 0.220 69.082 68.868 -0.010 0.000 0.946 140 T HN 0.429 nan 8.240 nan 0.000 0.453 141 I N 3.057 123.640 120.570 0.023 0.000 2.354 141 I HA 0.519 4.689 4.170 -0.000 0.000 0.286 141 I C 0.233 176.389 176.117 0.065 0.000 1.007 141 I CA -0.873 60.452 61.300 0.041 0.000 1.167 141 I CB 1.215 39.247 38.000 0.054 0.000 1.320 141 I HN 0.614 nan 8.210 nan 0.000 0.458 142 A N 6.055 128.913 122.820 0.064 0.000 2.412 142 A HA 0.571 4.891 4.320 -0.000 0.000 0.334 142 A C -0.621 177.202 177.584 0.399 0.000 1.419 142 A CA -0.558 51.542 52.037 0.106 0.000 0.930 142 A CB -0.059 18.814 19.000 -0.211 0.000 1.149 142 A HN 0.639 nan 8.150 nan 0.000 0.515 143 N N 1.074 120.055 118.700 0.469 0.000 2.362 143 N HA 0.750 5.489 4.740 -0.000 0.000 0.298 143 N C -0.545 175.222 175.510 0.428 0.000 1.048 143 N CA -0.053 53.245 53.050 0.413 0.000 0.858 143 N CB 1.912 40.559 38.487 0.265 0.000 1.218 143 N HN 0.743 nan 8.380 nan 0.000 0.488 144 S N 0.366 116.217 115.700 0.251 0.000 2.587 144 S HA 0.639 5.109 4.470 -0.000 0.000 0.269 144 S C -1.197 173.454 174.600 0.086 0.000 1.154 144 S CA -0.911 57.319 58.200 0.051 0.000 0.824 144 S CB 0.917 63.926 63.200 -0.318 0.000 1.118 144 S HN 0.323 nan 8.310 nan 0.000 0.462 145 I N 0.509 121.054 120.570 -0.042 0.000 2.569 145 I HA 0.537 4.706 4.170 -0.000 0.000 0.296 145 I C -1.583 174.384 176.117 -0.249 0.000 1.028 145 I CA -0.506 60.718 61.300 -0.127 0.000 1.082 145 I CB 1.871 39.698 38.000 -0.288 0.000 1.264 145 I HN 0.701 nan 8.210 nan 0.000 0.429 146 W N 5.313 126.385 121.300 -0.379 0.000 2.587 146 W HA 0.511 5.171 4.660 -0.000 0.000 0.324 146 W C -0.985 175.432 176.519 -0.170 0.000 1.008 146 W CA -0.339 56.929 57.345 -0.128 0.000 1.265 146 W CB 1.183 30.637 29.460 -0.010 0.000 1.328 146 W HN 0.147 nan 8.180 nan 0.000 0.432 147 F N 2.243 122.282 119.950 0.150 0.000 2.399 147 F HA 0.381 4.908 4.527 -0.000 0.000 0.334 147 F C 0.940 176.484 175.800 -0.428 0.000 1.097 147 F CA -1.246 56.562 58.000 -0.320 0.000 1.076 147 F CB 1.197 39.714 39.000 -0.805 0.000 1.162 147 F HN 0.027 nan 8.300 nan 0.000 0.495 148 K N 2.725 122.592 120.400 -0.887 0.000 2.416 148 K HA -0.004 4.316 4.320 -0.000 0.000 0.283 148 K C 1.141 177.583 176.600 -0.264 0.000 1.037 148 K CA -0.008 55.736 56.287 -0.905 0.000 0.995 148 K CB 0.636 32.565 32.500 -0.952 0.000 0.938 148 K HN 0.870 nan 8.250 nan 0.000 0.475 149 E N 1.946 122.114 120.200 -0.054 0.000 2.107 149 E HA -0.175 4.175 4.350 -0.000 0.000 0.191 149 E C 0.442 177.082 176.600 0.066 0.000 0.982 149 E CA 0.832 57.281 56.400 0.081 0.000 0.809 149 E CB -0.462 29.306 29.700 0.114 0.000 0.756 149 E HN 0.640 nan 8.360 nan 0.000 0.459 150 N N 1.511 120.222 118.700 0.018 0.000 2.440 150 N HA 0.312 5.052 4.740 -0.000 0.000 0.265 150 N C 0.060 175.583 175.510 0.022 0.000 1.239 150 N CA 0.812 53.873 53.050 0.019 0.000 0.909 150 N CB -0.930 37.562 38.487 0.010 0.000 1.066 150 N HN 0.567 nan 8.380 nan 0.000 0.474 151 D N -0.234 120.188 120.400 0.037 0.000 3.729 151 D HA 0.178 4.817 4.640 -0.000 0.000 0.242 151 D C -0.158 176.216 176.300 0.122 0.000 1.091 151 D CA 0.830 54.857 54.000 0.045 0.000 1.096 151 D CB -2.088 38.728 40.800 0.027 0.000 0.901 151 D HN 2.131 nan 8.370 nan 0.000 0.416 152 F N -0.157 119.732 119.950 -0.102 0.000 2.922 152 F HA 0.598 5.125 4.527 -0.000 0.000 0.341 152 F C -0.391 175.309 175.800 -0.166 0.000 1.140 152 F CA -0.075 57.831 58.000 -0.156 0.000 1.203 152 F CB 0.163 39.041 39.000 -0.203 0.000 1.491 152 F HN 1.222 nan 8.300 nan 0.000 0.670 153 M N 6.654 125.810 119.600 -0.739 0.000 2.149 153 M HA 0.814 5.294 4.480 -0.000 0.000 0.342 153 M C -2.972 172.667 176.300 -1.101 0.000 1.068 153 M CA -1.827 53.007 55.300 -0.777 0.000 0.991 153 M CB 0.777 33.150 32.600 -0.377 0.000 1.596 153 M HN 0.336 nan 8.290 nan 0.000 0.439 154 P HA 0.416 nan 4.420 nan 0.000 0.286 154 P C -0.259 176.839 177.300 -0.337 0.000 1.261 154 P CA -0.285 62.352 63.100 -0.772 0.000 0.821 154 P CB 1.494 32.875 31.700 -0.531 0.000 1.013 155 S N 1.154 116.738 115.700 -0.193 0.000 2.481 155 S HA 0.301 4.771 4.470 -0.000 0.000 0.276 155 S C 1.619 176.241 174.600 0.037 0.000 1.247 155 S CA 0.016 58.186 58.200 -0.050 0.000 1.053 155 S CB -0.343 62.870 63.200 0.022 0.000 0.925 155 S HN 0.514 nan 8.310 nan 0.000 0.491 156 K N 3.947 124.349 120.400 0.003 0.000 2.280 156 K HA -0.091 4.229 4.320 -0.000 0.000 0.202 156 K C 1.321 177.951 176.600 0.049 0.000 1.047 156 K CA 1.925 58.222 56.287 0.018 0.000 0.942 156 K CB -0.884 31.610 32.500 -0.012 0.000 0.739 156 K HN 0.862 nan 8.250 nan 0.000 0.457 157 D N -0.388 120.052 120.400 0.067 0.000 2.077 157 D HA -0.099 4.540 4.640 -0.000 0.000 0.196 157 D C 1.815 178.188 176.300 0.121 0.000 0.986 157 D CA 1.237 55.284 54.000 0.079 0.000 0.829 157 D CB -0.523 40.324 40.800 0.077 0.000 0.983 157 D HN 0.418 nan 8.370 nan 0.000 0.453 158 F N 1.988 121.957 119.950 0.032 0.000 2.063 158 F HA -0.233 4.293 4.527 -0.000 0.000 0.298 158 F C 2.334 178.174 175.800 0.066 0.000 1.109 158 F CA 1.359 59.394 58.000 0.058 0.000 1.212 158 F CB -0.390 38.646 39.000 0.060 0.000 0.973 158 F HN -0.132 nan 8.300 nan 0.000 0.480 159 L N -0.156 121.199 121.223 0.219 0.000 2.043 159 L HA -0.314 4.026 4.340 -0.000 0.000 0.212 159 L C 3.021 179.884 176.870 -0.012 0.000 1.075 159 L CA 1.733 56.629 54.840 0.093 0.000 0.752 159 L CB -1.643 40.477 42.059 0.103 0.000 0.891 159 L HN 0.458 nan 8.230 nan 0.000 0.432 160 Q N 0.657 120.457 119.800 -0.001 0.000 1.948 160 Q HA -0.264 4.076 4.340 -0.000 0.000 0.205 160 Q C 2.039 178.023 176.000 -0.028 0.000 0.992 160 Q CA 2.332 58.124 55.803 -0.017 0.000 0.849 160 Q CB -1.241 27.496 28.738 -0.003 0.000 0.918 160 Q HN 0.537 nan 8.270 nan 0.000 0.421 161 I N 0.560 121.119 120.570 -0.019 0.000 2.143 161 I HA -0.311 3.859 4.170 -0.000 0.000 0.245 161 I C 2.453 178.635 176.117 0.108 0.000 1.068 161 I CA 1.552 62.899 61.300 0.078 0.000 1.326 161 I CB -0.413 37.604 38.000 0.029 0.000 1.028 161 I HN 0.432 nan 8.210 nan 0.000 0.412 162 I N 0.806 121.315 120.570 -0.101 0.000 2.185 162 I HA -0.333 3.837 4.170 -0.000 0.000 0.246 162 I C 2.594 178.770 176.117 0.099 0.000 1.088 162 I CA 2.090 63.377 61.300 -0.022 0.000 1.347 162 I CB -1.602 36.307 38.000 -0.152 0.000 1.041 162 I HN 0.273 nan 8.210 nan 0.000 0.415 163 A N -0.446 122.389 122.820 0.024 0.000 2.178 163 A HA -0.081 4.239 4.320 -0.000 0.000 0.211 163 A C 1.842 179.402 177.584 -0.040 0.000 1.157 163 A CA 0.795 52.840 52.037 0.012 0.000 0.780 163 A CB -0.305 18.686 19.000 -0.016 0.000 0.828 163 A HN 0.293 nan 8.150 nan 0.000 0.476 164 D N -1.157 119.178 120.400 -0.108 0.000 2.107 164 D HA -0.038 4.601 4.640 -0.000 0.000 0.204 164 D C 1.353 177.357 176.300 -0.494 0.000 0.978 164 D CA 1.545 55.303 54.000 -0.404 0.000 0.852 164 D CB -0.208 40.224 40.800 -0.614 0.000 1.008 164 D HN 0.572 nan 8.370 nan 0.000 0.458 165 Y N -1.800 118.468 120.300 -0.055 0.000 2.479 165 Y HA 0.103 4.653 4.550 -0.000 0.000 0.283 165 Y C 1.577 177.381 175.900 -0.160 0.000 1.109 165 Y CA 0.357 58.371 58.100 -0.144 0.000 1.239 165 Y CB 0.081 38.306 38.460 -0.391 0.000 1.108 165 Y HN 0.014 nan 8.280 nan 0.000 0.548 166 Y N -0.616 119.835 120.300 0.253 0.000 2.464 166 Y HA 0.261 4.811 4.550 -0.000 0.000 0.288 166 Y C 1.853 177.834 175.900 0.134 0.000 1.133 166 Y CA 0.449 58.659 58.100 0.183 0.000 1.223 166 Y CB -0.286 38.256 38.460 0.136 0.000 1.187 166 Y HN -0.140 nan 8.280 nan 0.000 0.539 167 K N 0.601 121.150 120.400 0.248 0.000 3.071 167 K HA -0.033 4.287 4.320 -0.000 0.000 0.265 167 K C 0.187 176.885 176.600 0.163 0.000 1.060 167 K CA 0.697 57.077 56.287 0.155 0.000 0.767 167 K CB -2.579 29.993 32.500 0.120 0.000 1.241 167 K HN 0.730 nan 8.250 nan 0.000 0.486 168 A N 0.407 123.338 122.820 0.185 0.000 2.246 168 A HA 0.638 4.958 4.320 -0.000 0.000 0.291 168 A C -0.070 177.569 177.584 0.091 0.000 1.103 168 A CA -0.045 52.100 52.037 0.181 0.000 0.844 168 A CB 0.512 19.618 19.000 0.177 0.000 1.136 168 A HN 0.527 nan 8.150 nan 0.000 0.500 169 D N -0.687 119.757 120.400 0.075 0.000 2.177 169 D HA 0.494 5.134 4.640 -0.000 0.000 0.247 169 D C -0.251 175.807 176.300 -0.403 0.000 1.063 169 D CA 0.462 54.331 54.000 -0.219 0.000 0.867 169 D CB 1.475 42.144 40.800 -0.218 0.000 1.168 169 D HN 0.632 nan 8.370 nan 0.000 0.445 170 I N 1.325 121.580 120.570 -0.525 0.000 2.474 170 I HA 0.687 4.856 4.170 -0.000 0.000 0.294 170 I C -0.938 174.767 176.117 -0.686 0.000 1.005 170 I CA -0.782 60.281 61.300 -0.396 0.000 1.113 170 I CB 0.902 38.919 38.000 0.028 0.000 1.289 170 I HN 0.297 nan 8.210 nan 0.000 0.436 171 F N 3.504 123.215 119.950 -0.399 0.000 2.577 171 F HA 0.784 5.311 4.527 -0.000 0.000 0.318 171 F C 0.530 176.302 175.800 -0.047 0.000 1.065 171 F CA -0.877 56.849 58.000 -0.456 0.000 0.929 171 F CB 2.269 40.502 39.000 -1.278 0.000 1.237 171 F HN 0.725 nan 8.300 nan 0.000 0.468 172 K N 1.477 122.024 120.400 0.246 0.000 2.507 172 K HA 0.879 5.199 4.320 -0.000 0.000 0.253 172 K C -1.270 175.489 176.600 0.265 0.000 0.969 172 K CA -0.310 56.147 56.287 0.283 0.000 0.908 172 K CB 1.126 33.776 32.500 0.250 0.000 1.127 172 K HN 0.962 nan 8.250 nan 0.000 0.437 173 A N 0.627 123.656 122.820 0.349 0.000 2.430 173 A HA 0.866 5.186 4.320 -0.000 0.000 0.300 173 A C 1.369 179.182 177.584 0.381 0.000 1.124 173 A CA 0.067 52.329 52.037 0.374 0.000 0.766 173 A CB 1.274 20.559 19.000 0.475 0.000 1.328 173 A HN 1.495 nan 8.150 nan 0.000 0.424 174 A N -0.495 122.504 122.820 0.298 0.000 1.972 174 A HA 0.271 4.590 4.320 -0.000 0.000 0.219 174 A C 0.698 178.506 177.584 0.373 0.000 1.169 174 A CA 1.794 53.976 52.037 0.242 0.000 0.635 174 A CB -0.758 18.340 19.000 0.162 0.000 0.810 174 A HN 1.639 nan 8.150 nan 0.000 0.446 175 F N -0.929 119.067 119.950 0.077 0.000 2.893 175 F HA -0.173 4.354 4.527 -0.000 0.000 0.287 175 F C 0.310 176.132 175.800 0.036 0.000 0.766 175 F CA 0.277 58.314 58.000 0.062 0.000 1.362 175 F CB -2.047 36.998 39.000 0.074 0.000 1.518 175 F HN 0.606 nan 8.300 nan 0.000 0.417 176 D N -0.946 119.533 120.400 0.131 0.000 2.509 176 D HA 0.689 5.328 4.640 -0.000 0.000 0.275 176 D C 1.744 178.041 176.300 -0.006 0.000 1.189 176 D CA 0.256 54.293 54.000 0.062 0.000 1.098 176 D CB -0.374 40.465 40.800 0.065 0.000 1.177 176 D HN 0.018 nan 8.370 nan 0.000 0.599 177 S N -0.527 115.168 115.700 -0.008 0.000 2.382 177 S HA -0.141 4.328 4.470 -0.000 0.000 0.228 177 S C 1.861 176.435 174.600 -0.044 0.000 1.027 177 S CA 2.373 60.553 58.200 -0.035 0.000 0.991 177 S CB -0.987 62.201 63.200 -0.021 0.000 0.823 177 S HN 0.549 nan 8.310 nan 0.000 0.469 178 S N 0.345 116.036 115.700 -0.016 0.000 2.447 178 S HA -0.067 4.403 4.470 -0.000 0.000 0.233 178 S C 1.794 176.378 174.600 -0.027 0.000 1.006 178 S CA 1.614 59.808 58.200 -0.010 0.000 0.957 178 S CB -0.843 62.369 63.200 0.020 0.000 0.773 178 S HN 0.491 nan 8.310 nan 0.000 0.507 179 T N 1.978 116.504 114.554 -0.047 0.000 2.896 179 T HA 0.093 4.443 4.350 -0.000 0.000 0.263 179 T C 1.887 176.422 174.700 -0.276 0.000 1.050 179 T CA 0.981 63.016 62.100 -0.109 0.000 1.140 179 T CB -0.408 68.397 68.868 -0.104 0.000 0.877 179 T HN 0.284 nan 8.240 nan 0.000 0.457 180 V N 2.777 122.541 119.914 -0.250 0.000 2.233 180 V HA -0.210 3.910 4.120 -0.000 0.000 0.247 180 V C 2.800 178.742 176.094 -0.253 0.000 1.050 180 V CA 2.267 64.391 62.300 -0.292 0.000 1.010 180 V CB -1.091 30.609 31.823 -0.206 0.000 0.637 180 V HN 0.618 nan 8.190 nan 0.000 0.444 181 S N -0.615 114.990 115.700 -0.159 0.000 2.442 181 S HA -0.215 4.255 4.470 -0.000 0.000 0.236 181 S C 1.602 176.140 174.600 -0.103 0.000 1.007 181 S CA 1.380 59.511 58.200 -0.114 0.000 0.965 181 S CB -0.485 62.675 63.200 -0.067 0.000 0.773 181 S HN 0.579 nan 8.310 nan 0.000 0.504 182 D N 1.894 122.222 120.400 -0.121 0.000 2.117 182 D HA 0.056 4.696 4.640 -0.000 0.000 0.198 182 D C 1.819 178.030 176.300 -0.150 0.000 0.982 182 D CA 0.964 54.927 54.000 -0.062 0.000 0.828 182 D CB -0.255 40.560 40.800 0.026 0.000 0.967 182 D HN 0.459 nan 8.370 nan 0.000 0.464 183 I N 0.929 121.192 120.570 -0.511 0.000 2.286 183 I HA -0.185 3.985 4.170 -0.000 0.000 0.245 183 I C 1.963 177.944 176.117 -0.226 0.000 1.104 183 I CA 0.583 61.443 61.300 -0.732 0.000 1.397 183 I CB -0.178 37.123 38.000 -1.165 0.000 1.072 183 I HN -0.106 nan 8.210 nan 0.000 0.417 184 N N 1.170 119.746 118.700 -0.207 0.000 2.120 184 N HA -0.147 4.593 4.740 -0.000 0.000 0.188 184 N C 1.575 177.061 175.510 -0.040 0.000 1.024 184 N CA 1.178 54.161 53.050 -0.112 0.000 0.852 184 N CB -0.555 37.857 38.487 -0.125 0.000 1.003 184 N HN 0.365 nan 8.380 nan 0.000 0.424 185 N N 0.129 118.820 118.700 -0.015 0.000 2.142 185 N HA -0.150 4.590 4.740 -0.000 0.000 0.186 185 N C 1.611 177.167 175.510 0.077 0.000 1.023 185 N CA 0.564 53.626 53.050 0.021 0.000 0.852 185 N CB -0.523 37.983 38.487 0.032 0.000 0.998 185 N HN 0.390 nan 8.380 nan 0.000 0.424 186 W N 2.386 123.673 121.300 -0.021 0.000 2.333 186 W HA -0.205 4.455 4.660 -0.000 0.000 0.316 186 W C 2.460 179.007 176.519 0.046 0.000 1.215 186 W CA 2.682 60.064 57.345 0.061 0.000 1.278 186 W CB -0.734 28.834 29.460 0.179 0.000 1.154 186 W HN -0.026 nan 8.180 nan 0.000 0.486 187 V N 1.114 121.086 119.914 0.096 0.000 2.252 187 V HA -0.362 3.758 4.120 -0.000 0.000 0.249 187 V C 2.197 178.175 176.094 -0.193 0.000 1.056 187 V CA 3.272 65.505 62.300 -0.111 0.000 1.022 187 V CB -1.273 30.557 31.823 0.011 0.000 0.641 187 V HN 0.278 nan 8.190 nan 0.000 0.445 188 K N -0.468 119.861 120.400 -0.119 0.000 2.063 188 K HA -0.211 4.109 4.320 -0.000 0.000 0.208 188 K C 2.544 179.057 176.600 -0.145 0.000 1.048 188 K CA 1.804 58.020 56.287 -0.119 0.000 0.928 188 K CB -0.160 32.291 32.500 -0.082 0.000 0.713 188 K HN 0.609 nan 8.250 nan 0.000 0.442 189 S N -0.051 115.552 115.700 -0.161 0.000 2.338 189 S HA -0.160 4.310 4.470 -0.000 0.000 0.218 189 S C 2.255 176.716 174.600 -0.231 0.000 1.032 189 S CA 2.143 60.245 58.200 -0.162 0.000 0.999 189 S CB -0.318 62.809 63.200 -0.121 0.000 0.905 189 S HN 0.486 nan 8.310 nan 0.000 0.439 190 K N 0.223 120.378 120.400 -0.408 0.000 2.362 190 K HA -0.029 4.291 4.320 -0.000 0.000 0.200 190 K C 1.833 178.272 176.600 -0.268 0.000 1.046 190 K CA 1.796 57.835 56.287 -0.414 0.000 0.952 190 K CB -1.485 30.559 32.500 -0.759 0.000 0.753 190 K HN 0.785 nan 8.250 nan 0.000 0.466 191 T N -2.913 111.502 114.554 -0.232 0.000 3.105 191 T HA 0.160 4.510 4.350 -0.000 0.000 0.253 191 T C 0.356 174.979 174.700 -0.128 0.000 1.047 191 T CA 0.373 62.383 62.100 -0.149 0.000 0.944 191 T CB -0.642 68.151 68.868 -0.125 0.000 1.016 191 T HN 0.605 nan 8.240 nan 0.000 0.544 192 N N 0.898 119.520 118.700 -0.130 0.000 2.747 192 N HA -0.160 4.580 4.740 -0.000 0.000 0.249 192 N C 1.006 176.448 175.510 -0.114 0.000 1.107 192 N CA 0.624 53.608 53.050 -0.109 0.000 0.707 192 N CB -1.549 36.881 38.487 -0.095 0.000 1.054 192 N HN 0.829 nan 8.380 nan 0.000 0.555 193 G N -2.939 105.786 108.800 -0.124 0.000 2.217 193 G HA2 -0.433 3.527 3.960 -0.000 0.000 0.246 193 G HA3 -0.433 3.527 3.960 -0.000 0.000 0.246 193 G C 1.078 175.870 174.900 -0.180 0.000 0.990 193 G CA 0.610 45.631 45.100 -0.132 0.000 0.627 193 G HN 0.260 nan 8.290 nan 0.000 0.522 194 M N -0.242 119.237 119.600 -0.201 0.000 2.159 194 M HA 0.329 4.809 4.480 -0.000 0.000 0.263 194 M C 1.361 177.443 176.300 -0.364 0.000 1.063 194 M CA 1.546 56.654 55.300 -0.320 0.000 1.110 194 M CB -0.504 31.950 32.600 -0.243 0.000 1.374 194 M HN 0.359 nan 8.290 nan 0.000 0.411 195 I N 0.625 121.073 120.570 -0.202 0.000 2.410 195 I HA 0.273 4.443 4.170 -0.000 0.000 0.286 195 I C -0.163 175.887 176.117 -0.111 0.000 1.009 195 I CA -0.570 60.648 61.300 -0.136 0.000 1.111 195 I CB 1.707 39.678 38.000 -0.049 0.000 1.262 195 I HN 0.293 nan 8.210 nan 0.000 0.443 196 D N 3.895 124.234 120.400 -0.101 0.000 2.433 196 D HA 0.160 4.800 4.640 -0.000 0.000 0.211 196 D C 0.198 176.455 176.300 -0.072 0.000 1.114 196 D CA -0.169 53.779 54.000 -0.087 0.000 0.837 196 D CB 0.594 41.341 40.800 -0.088 0.000 0.984 196 D HN 0.231 nan 8.370 nan 0.000 0.505 197 K N 0.081 120.442 120.400 -0.065 0.000 2.557 197 K HA 0.424 4.744 4.320 -0.000 0.000 0.261 197 K C -1.204 175.356 176.600 -0.067 0.000 0.932 197 K CA -0.590 55.654 56.287 -0.070 0.000 0.829 197 K CB 2.083 34.545 32.500 -0.063 0.000 1.358 197 K HN 0.028 nan 8.250 nan 0.000 0.430 198 I N 3.058 123.569 120.570 -0.099 0.000 4.916 198 I HA 0.277 4.447 4.170 -0.000 0.000 0.335 198 I C -1.167 174.862 176.117 -0.146 0.000 1.274 198 I CA -0.134 61.105 61.300 -0.101 0.000 1.365 198 I CB 0.862 38.805 38.000 -0.094 0.000 1.395 198 I HN 0.412 nan 8.210 nan 0.000 0.485 199 L N 0.968 122.079 121.223 -0.187 0.000 2.445 199 L HA 0.324 4.663 4.340 -0.000 0.000 0.262 199 L C -0.298 176.463 176.870 -0.182 0.000 0.974 199 L CA -0.314 54.390 54.840 -0.226 0.000 0.822 199 L CB 2.048 43.883 42.059 -0.373 0.000 1.339 199 L HN 0.117 nan 8.230 nan 0.000 0.409 200 N N 0.769 119.381 118.700 -0.146 0.000 2.397 200 N HA 0.177 4.917 4.740 -0.000 0.000 0.190 200 N C -0.165 175.277 175.510 -0.112 0.000 1.099 200 N CA 0.120 53.101 53.050 -0.114 0.000 0.876 200 N CB 0.453 38.893 38.487 -0.078 0.000 1.143 200 N HN 0.361 nan 8.380 nan 0.000 0.468 201 K N 0.349 120.679 120.400 -0.118 0.000 2.527 201 K HA 0.762 5.082 4.320 -0.000 0.000 0.260 201 K C -1.587 174.954 176.600 -0.098 0.000 0.937 201 K CA -0.693 55.539 56.287 -0.091 0.000 0.826 201 K CB 1.294 33.767 32.500 -0.045 0.000 1.359 201 K HN 0.085 nan 8.250 nan 0.000 0.434 202 I N 2.473 122.996 120.570 -0.078 0.000 2.465 202 I HA 0.472 4.642 4.170 -0.000 0.000 0.291 202 I C -0.555 175.596 176.117 0.055 0.000 1.014 202 I CA -1.442 59.849 61.300 -0.015 0.000 1.093 202 I CB 1.004 38.943 38.000 -0.103 0.000 1.267 202 I HN 0.948 nan 8.210 nan 0.000 0.431 203 D N 4.973 125.437 120.400 0.106 0.000 2.277 203 D HA 0.661 5.301 4.640 -0.000 0.000 0.250 203 D C -2.870 173.512 176.300 0.137 0.000 1.032 203 D CA -2.051 52.010 54.000 0.101 0.000 0.947 203 D CB 0.402 41.253 40.800 0.085 0.000 1.159 203 D HN 0.263 nan 8.370 nan 0.000 0.460 204 P HA 0.315 nan 4.420 nan 0.000 0.272 204 P C 0.601 177.970 177.300 0.116 0.000 1.223 204 P CA 0.873 64.043 63.100 0.116 0.000 0.784 204 P CB 0.449 32.198 31.700 0.082 0.000 0.923 205 E N -0.655 119.613 120.200 0.113 0.000 4.252 205 E HA -0.181 4.169 4.350 -0.000 0.000 0.373 205 E C 0.243 176.947 176.600 0.172 0.000 0.570 205 E CA 1.030 57.510 56.400 0.133 0.000 1.570 205 E CB -2.835 26.941 29.700 0.127 0.000 1.887 205 E HN 0.621 nan 8.360 nan 0.000 0.407 206 D N -0.012 120.479 120.400 0.151 0.000 2.493 206 D HA 0.339 4.979 4.640 -0.000 0.000 0.240 206 D C 1.675 177.936 176.300 -0.066 0.000 1.142 206 D CA 1.131 55.172 54.000 0.068 0.000 0.872 206 D CB 1.611 42.554 40.800 0.238 0.000 1.173 206 D HN 1.086 nan 8.370 nan 0.000 0.467 207 V N 0.247 119.936 119.914 -0.375 0.000 3.480 207 V HA 0.349 4.468 4.120 -0.000 0.000 0.263 207 V C 0.304 176.079 176.094 -0.531 0.000 1.442 207 V CA -0.194 61.783 62.300 -0.537 0.000 1.053 207 V CB 0.339 31.906 31.823 -0.426 0.000 0.846 207 V HN 0.464 nan 8.190 nan 0.000 0.440 208 M N 0.685 119.975 119.600 -0.518 0.000 2.277 208 M HA 0.592 5.072 4.480 -0.000 0.000 0.282 208 M C -2.542 173.463 176.300 -0.491 0.000 1.074 208 M CA -0.423 54.583 55.300 -0.491 0.000 0.954 208 M CB 2.498 34.761 32.600 -0.562 0.000 1.672 208 M HN 0.253 nan 8.290 nan 0.000 0.471 209 Y N 3.816 124.017 120.300 -0.164 0.000 2.409 209 Y HA 0.541 5.091 4.550 -0.000 0.000 0.343 209 Y C -0.756 175.084 175.900 -0.101 0.000 0.973 209 Y CA -1.007 57.032 58.100 -0.101 0.000 1.064 209 Y CB 1.994 40.394 38.460 -0.100 0.000 1.207 209 Y HN 0.453 nan 8.280 nan 0.000 0.452 210 L N 5.480 126.785 121.223 0.136 0.000 2.265 210 L HA 0.453 4.793 4.340 -0.000 0.000 0.289 210 L C -0.695 176.273 176.870 0.163 0.000 1.033 210 L CA -0.352 54.562 54.840 0.123 0.000 0.814 210 L CB 0.700 42.829 42.059 0.116 0.000 1.203 210 L HN 0.611 nan 8.230 nan 0.000 0.423 211 I N 4.335 124.999 120.570 0.157 0.000 2.389 211 I HA 0.301 4.471 4.170 -0.000 0.000 0.288 211 I C -0.234 176.009 176.117 0.211 0.000 0.999 211 I CA -0.226 61.151 61.300 0.129 0.000 1.129 211 I CB 1.536 39.539 38.000 0.006 0.000 1.288 211 I HN 0.568 nan 8.210 nan 0.000 0.444 212 N N 5.158 123.944 118.700 0.143 0.000 2.284 212 N HA 0.820 5.560 4.740 -0.000 0.000 0.300 212 N C -1.136 174.362 175.510 -0.020 0.000 1.047 212 N CA -0.750 52.346 53.050 0.077 0.000 0.821 212 N CB 2.309 40.760 38.487 -0.059 0.000 1.337 212 N HN 0.592 nan 8.380 nan 0.000 0.482 213 A N 1.320 124.159 122.820 0.032 0.000 2.375 213 A HA 0.765 5.085 4.320 -0.000 0.000 0.295 213 A C -0.875 176.715 177.584 0.010 0.000 1.066 213 A CA -0.594 51.440 52.037 -0.005 0.000 0.722 213 A CB 0.721 19.733 19.000 0.019 0.000 1.206 213 A HN 0.614 nan 8.150 nan 0.000 0.435 214 V N 0.815 120.763 119.914 0.057 0.000 2.487 214 V HA 0.906 5.025 4.120 -0.000 0.000 0.298 214 V C 0.131 176.441 176.094 0.360 0.000 1.028 214 V CA -0.212 62.172 62.300 0.141 0.000 0.860 214 V CB 1.169 33.004 31.823 0.019 0.000 0.991 214 V HN 1.793 nan 8.190 nan 0.000 0.427 215 A N 3.919 126.927 122.820 0.313 0.000 2.435 215 A HA 1.018 5.338 4.320 -0.000 0.000 0.296 215 A C -1.324 176.513 177.584 0.422 0.000 1.147 215 A CA -0.637 51.624 52.037 0.374 0.000 0.775 215 A CB 1.802 20.912 19.000 0.182 0.000 1.340 215 A HN 1.807 nan 8.150 nan 0.000 0.427 216 F N 0.605 120.654 119.950 0.166 0.000 2.588 216 F HA 0.532 5.059 4.527 -0.000 0.000 0.318 216 F C -1.698 174.065 175.800 -0.061 0.000 1.155 216 F CA -0.472 57.562 58.000 0.056 0.000 0.967 216 F CB 1.922 41.033 39.000 0.186 0.000 1.236 216 F HN 0.511 nan 8.300 nan 0.000 0.455 217 D N 4.501 124.450 120.400 -0.752 0.000 2.593 217 D HA 0.757 5.397 4.640 -0.000 0.000 0.251 217 D C -1.444 174.365 176.300 -0.818 0.000 1.140 217 D CA 0.014 53.675 54.000 -0.565 0.000 0.855 217 D CB 2.089 42.701 40.800 -0.315 0.000 1.267 217 D HN 0.867 nan 8.370 nan 0.000 0.532 218 A N 2.899 125.353 122.820 -0.611 0.000 2.605 218 A HA 0.536 4.855 4.320 -0.000 0.000 0.294 218 A C -1.077 176.355 177.584 -0.252 0.000 1.062 218 A CA -0.736 50.999 52.037 -0.504 0.000 0.682 218 A CB 1.589 20.130 19.000 -0.764 0.000 1.278 218 A HN 0.451 nan 8.150 nan 0.000 0.410 219 E N 0.581 120.725 120.200 -0.092 0.000 2.191 219 E HA 0.490 4.840 4.350 -0.000 0.000 0.274 219 E C -1.091 175.591 176.600 0.137 0.000 0.948 219 E CA -0.569 55.819 56.400 -0.019 0.000 0.802 219 E CB 0.854 30.567 29.700 0.022 0.000 1.137 219 E HN 0.580 nan 8.360 nan 0.000 0.397 220 W N 2.464 123.867 121.300 0.172 0.000 2.158 220 W HA 0.045 4.705 4.660 -0.000 0.000 0.339 220 W C 1.531 178.067 176.519 0.029 0.000 1.294 220 W CA -0.132 57.249 57.345 0.060 0.000 1.231 220 W CB 0.502 29.905 29.460 -0.095 0.000 1.143 220 W HN 0.757 nan 8.180 nan 0.000 0.571 221 E N 0.707 121.078 120.200 0.285 0.000 2.118 221 E HA -0.156 4.194 4.350 -0.000 0.000 0.195 221 E C 0.251 176.899 176.600 0.080 0.000 0.992 221 E CA 1.350 57.837 56.400 0.145 0.000 0.804 221 E CB 0.016 29.779 29.700 0.105 0.000 0.741 221 E HN 0.237 nan 8.360 nan 0.000 0.458 222 T N 2.080 116.656 114.554 0.037 0.000 2.991 222 T HA 0.342 4.692 4.350 -0.000 0.000 0.347 222 T C -0.669 173.946 174.700 -0.142 0.000 1.122 222 T CA -0.289 61.769 62.100 -0.071 0.000 1.062 222 T CB 1.002 69.776 68.868 -0.156 0.000 1.043 222 T HN 0.220 nan 8.240 nan 0.000 0.491 223 V N 2.070 121.986 119.914 0.003 0.000 2.999 223 V HA 0.380 4.500 4.120 -0.000 0.000 0.307 223 V C -0.412 175.627 176.094 -0.093 0.000 1.084 223 V CA -0.487 61.854 62.300 0.068 0.000 1.155 223 V CB -0.182 31.727 31.823 0.144 0.000 0.975 223 V HN 0.672 nan 8.190 nan 0.000 0.490 224 Y N 1.132 121.440 120.300 0.013 0.000 2.335 224 Y HA 0.525 5.075 4.550 -0.000 0.000 0.331 224 Y C 1.110 176.994 175.900 -0.028 0.000 1.094 224 Y CA 0.776 58.842 58.100 -0.057 0.000 1.253 224 Y CB 0.325 38.735 38.460 -0.083 0.000 1.203 224 Y HN 1.022 nan 8.280 nan 0.000 0.508 225 E N 2.823 123.089 120.200 0.109 0.000 2.374 225 E HA 0.125 4.475 4.350 -0.000 0.000 0.260 225 E C 0.806 177.425 176.600 0.030 0.000 1.101 225 E CA -0.450 55.981 56.400 0.053 0.000 0.907 225 E CB 0.432 30.144 29.700 0.020 0.000 1.014 225 E HN 0.846 nan 8.360 nan 0.000 0.427 226 K N 0.250 120.652 120.400 0.002 0.000 2.074 226 K HA -0.156 4.164 4.320 -0.000 0.000 0.209 226 K C 2.181 178.728 176.600 -0.089 0.000 1.048 226 K CA 1.675 57.941 56.287 -0.035 0.000 0.926 226 K CB -0.138 32.348 32.500 -0.024 0.000 0.713 226 K HN 0.619 nan 8.250 nan 0.000 0.444 227 A N 0.304 123.085 122.820 -0.065 0.000 2.209 227 A HA -0.022 4.297 4.320 -0.000 0.000 0.212 227 A C 1.652 179.151 177.584 -0.143 0.000 1.158 227 A CA 1.010 52.995 52.037 -0.086 0.000 0.742 227 A CB -0.045 18.953 19.000 -0.003 0.000 0.790 227 A HN 0.118 nan 8.150 nan 0.000 0.472 228 S N -0.639 114.997 115.700 -0.106 0.000 2.575 228 S HA 0.214 4.684 4.470 -0.000 0.000 0.215 228 S C 0.237 174.726 174.600 -0.185 0.000 0.966 228 S CA -0.011 58.155 58.200 -0.057 0.000 0.911 228 S CB 0.022 63.272 63.200 0.083 0.000 0.780 228 S HN 0.228 nan 8.310 nan 0.000 0.514 229 V N 2.120 121.807 119.914 -0.379 0.000 2.459 229 V HA 0.515 4.635 4.120 -0.000 0.000 0.295 229 V C -0.722 175.030 176.094 -0.569 0.000 1.029 229 V CA -0.636 61.458 62.300 -0.344 0.000 0.874 229 V CB 1.291 32.979 31.823 -0.224 0.000 0.985 229 V HN 0.381 nan 8.190 nan 0.000 0.438 230 H N 0.919 120.008 119.070 0.033 0.000 2.996 230 H HA 0.596 5.152 4.556 -0.000 0.000 0.368 230 H C 0.047 175.445 175.328 0.118 0.000 1.185 230 H CA -0.356 55.724 56.048 0.054 0.000 1.160 230 H CB 1.356 31.138 29.762 0.032 0.000 1.820 230 H HN 0.729 nan 8.280 nan 0.000 0.547 231 E N 1.765 122.108 120.200 0.239 0.000 2.290 231 E HA 0.280 4.630 4.350 -0.000 0.000 0.277 231 E C -0.656 176.072 176.600 0.214 0.000 1.035 231 E CA -0.170 56.361 56.400 0.218 0.000 0.873 231 E CB 0.649 30.435 29.700 0.143 0.000 1.029 231 E HN 0.558 nan 8.360 nan 0.000 0.419 232 D N 0.528 121.122 120.400 0.324 0.000 2.837 232 D HA 0.491 5.130 4.640 -0.000 0.000 0.294 232 D C -0.946 175.545 176.300 0.318 0.000 1.158 232 D CA -0.554 53.531 54.000 0.142 0.000 1.073 232 D CB 1.243 41.869 40.800 -0.290 0.000 1.419 232 D HN 0.313 nan 8.370 nan 0.000 0.584 233 I N 1.884 122.570 120.570 0.193 0.000 2.339 233 I HA 0.277 4.447 4.170 -0.000 0.000 0.290 233 I C -0.388 175.981 176.117 0.420 0.000 0.994 233 I CA -0.582 60.879 61.300 0.269 0.000 1.191 233 I CB 0.468 38.541 38.000 0.121 0.000 1.343 233 I HN 0.255 nan 8.210 nan 0.000 0.458 234 F N 6.002 126.176 119.950 0.373 0.000 2.411 234 F HA 0.359 4.886 4.527 -0.000 0.000 0.350 234 F C 0.346 176.257 175.800 0.184 0.000 1.114 234 F CA -0.178 58.017 58.000 0.326 0.000 1.135 234 F CB 0.976 40.133 39.000 0.262 0.000 1.120 234 F HN 0.391 nan 8.300 nan 0.000 0.495 235 T N 5.545 119.928 114.554 -0.285 0.000 2.738 235 T HA 0.226 4.575 4.350 -0.000 0.000 0.298 235 T C -0.350 174.111 174.700 -0.399 0.000 0.962 235 T CA -0.854 61.121 62.100 -0.208 0.000 0.972 235 T CB 0.327 69.113 68.868 -0.137 0.000 0.928 235 T HN 0.595 nan 8.240 nan 0.000 0.474 236 D N 2.001 122.334 120.400 -0.112 0.000 2.414 236 D HA 0.037 4.677 4.640 -0.000 0.000 0.251 236 D C 1.389 177.663 176.300 -0.044 0.000 1.252 236 D CA -0.943 53.056 54.000 -0.001 0.000 0.999 236 D CB 0.329 41.305 40.800 0.293 0.000 1.093 236 D HN 0.154 nan 8.370 nan 0.000 0.515 237 V N -0.202 119.668 119.914 -0.073 0.000 2.913 237 V HA -0.186 3.934 4.120 -0.000 0.000 0.260 237 V C 0.888 176.784 176.094 -0.331 0.000 1.098 237 V CA 1.316 63.466 62.300 -0.251 0.000 1.121 237 V CB -0.976 30.631 31.823 -0.360 0.000 0.714 237 V HN 0.517 nan 8.190 nan 0.000 0.487 238 Y N -0.434 119.862 120.300 -0.005 0.000 2.462 238 Y HA 0.441 4.991 4.550 -0.000 0.000 0.261 238 Y C 1.895 177.792 175.900 -0.005 0.000 1.146 238 Y CA 0.525 58.623 58.100 -0.002 0.000 1.283 238 Y CB 0.475 38.939 38.460 0.006 0.000 1.090 238 Y HN 0.264 nan 8.280 nan 0.000 0.526 239 G N 0.361 109.224 108.800 0.105 0.000 2.175 239 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.244 239 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.244 239 G C -0.110 174.830 174.900 0.067 0.000 0.982 239 G CA -0.182 44.952 45.100 0.057 0.000 0.641 239 G HN 0.453 nan 8.290 nan 0.000 0.527 240 N N 0.922 119.686 118.700 0.106 0.000 2.412 240 N HA 0.323 5.063 4.740 -0.000 0.000 0.254 240 N C 0.317 175.882 175.510 0.092 0.000 1.232 240 N CA 0.145 53.252 53.050 0.095 0.000 0.880 240 N CB 0.299 38.853 38.487 0.113 0.000 1.076 240 N HN 0.241 nan 8.380 nan 0.000 0.458 241 R N 2.567 123.117 120.500 0.083 0.000 2.239 241 R HA 0.162 4.502 4.340 -0.000 0.000 0.332 241 R C -0.697 175.679 176.300 0.127 0.000 0.988 241 R CA -0.397 55.761 56.100 0.096 0.000 0.859 241 R CB 0.973 31.313 30.300 0.067 0.000 1.148 241 R HN 0.536 nan 8.270 nan 0.000 0.482 242 Q N 1.559 121.473 119.800 0.191 0.000 2.290 242 Q HA 0.245 4.585 4.340 -0.000 0.000 0.259 242 Q C -0.010 176.114 176.000 0.208 0.000 0.941 242 Q CA -0.461 55.457 55.803 0.191 0.000 0.912 242 Q CB 1.611 30.483 28.738 0.223 0.000 1.244 242 Q HN 0.449 nan 8.270 nan 0.000 0.441 243 K N 1.942 122.433 120.400 0.151 0.000 2.363 243 K HA 0.374 4.693 4.320 -0.000 0.000 0.289 243 K C -0.607 176.079 176.600 0.143 0.000 1.063 243 K CA -0.035 56.343 56.287 0.151 0.000 0.967 243 K CB 0.201 32.764 32.500 0.105 0.000 0.987 243 K HN 0.423 nan 8.250 nan 0.000 0.473 244 V N 2.380 122.411 119.914 0.196 0.000 3.007 244 V HA 0.312 4.432 4.120 -0.000 0.000 0.311 244 V C -0.256 175.910 176.094 0.119 0.000 1.120 244 V CA -1.041 61.313 62.300 0.089 0.000 0.980 244 V CB 2.300 34.105 31.823 -0.031 0.000 1.033 244 V HN 0.931 nan 8.190 nan 0.000 0.429 245 E N 2.389 122.588 120.200 -0.003 0.000 2.129 245 E HA 0.332 4.682 4.350 -0.000 0.000 0.283 245 E C -1.341 175.197 176.600 -0.103 0.000 1.080 245 E CA 0.018 56.425 56.400 0.013 0.000 0.867 245 E CB 0.671 30.350 29.700 -0.035 0.000 1.056 245 E HN 0.407 nan 8.360 nan 0.000 0.404 246 F N 2.572 122.511 119.950 -0.017 0.000 2.379 246 F HA 0.352 4.879 4.527 -0.000 0.000 0.332 246 F C 0.630 176.333 175.800 -0.161 0.000 1.096 246 F CA -0.608 57.363 58.000 -0.049 0.000 1.105 246 F CB 0.990 40.001 39.000 0.017 0.000 1.189 246 F HN 0.184 nan 8.300 nan 0.000 0.515 247 M N 3.499 123.017 119.600 -0.137 0.000 2.125 247 M HA 0.329 4.809 4.480 -0.000 0.000 0.321 247 M C -0.996 175.130 176.300 -0.290 0.000 0.983 247 M CA -0.633 54.354 55.300 -0.522 0.000 0.934 247 M CB 1.295 33.117 32.600 -1.296 0.000 1.542 247 M HN 0.453 nan 8.290 nan 0.000 0.424 248 N N 2.254 120.916 118.700 -0.063 0.000 2.456 248 N HA 0.599 5.339 4.740 -0.000 0.000 0.288 248 N C -0.912 174.704 175.510 0.176 0.000 1.059 248 N CA -0.089 53.004 53.050 0.071 0.000 0.946 248 N CB 2.032 40.562 38.487 0.070 0.000 1.150 248 N HN 0.779 nan 8.380 nan 0.000 0.479 249 S N 0.269 115.990 115.700 0.034 0.000 2.596 249 S HA 0.423 4.893 4.470 -0.000 0.000 0.270 249 S C -1.107 173.397 174.600 -0.159 0.000 1.155 249 S CA -0.932 57.216 58.200 -0.087 0.000 0.827 249 S CB 1.956 65.015 63.200 -0.235 0.000 1.130 249 S HN 0.324 nan 8.310 nan 0.000 0.467 250 E N 1.186 121.293 120.200 -0.156 0.000 2.115 250 E HA 0.507 4.857 4.350 -0.000 0.000 0.282 250 E C -0.432 176.082 176.600 -0.144 0.000 0.987 250 E CA -0.326 55.993 56.400 -0.136 0.000 0.797 250 E CB 0.783 30.420 29.700 -0.105 0.000 1.086 250 E HN 0.458 nan 8.360 nan 0.000 0.397 251 E N 1.444 121.564 120.200 -0.133 0.000 2.281 251 E HA 0.252 4.602 4.350 -0.000 0.000 0.257 251 E C 0.099 176.697 176.600 -0.003 0.000 0.971 251 E CA -0.517 55.836 56.400 -0.078 0.000 0.839 251 E CB 1.252 30.903 29.700 -0.082 0.000 1.238 251 E HN 0.443 nan 8.360 nan 0.000 0.412 252 N N -0.237 118.488 118.700 0.042 0.000 2.273 252 N HA 0.152 4.892 4.740 -0.000 0.000 0.192 252 N C -0.501 175.070 175.510 0.101 0.000 1.132 252 N CA 0.117 53.200 53.050 0.056 0.000 0.887 252 N CB 0.604 39.116 38.487 0.041 0.000 1.048 252 N HN 0.173 nan 8.380 nan 0.000 0.490 253 L N 1.833 123.144 121.223 0.147 0.000 2.342 253 L HA 0.325 4.665 4.340 -0.000 0.000 0.276 253 L C -1.405 175.615 176.870 0.250 0.000 0.997 253 L CA -0.812 54.128 54.840 0.167 0.000 0.838 253 L CB 1.293 43.430 42.059 0.129 0.000 1.224 253 L HN 0.077 nan 8.230 nan 0.000 0.416 254 Y N 4.656 125.007 120.300 0.084 0.000 2.331 254 Y HA 0.549 5.099 4.550 -0.000 0.000 0.338 254 Y C -0.336 175.601 175.900 0.061 0.000 0.992 254 Y CA -0.795 57.359 58.100 0.089 0.000 1.121 254 Y CB 1.105 39.603 38.460 0.065 0.000 1.184 254 Y HN 0.390 nan 8.280 nan 0.000 0.469 255 I N 5.936 126.247 120.570 -0.433 0.000 2.342 255 I HA 0.250 4.420 4.170 -0.000 0.000 0.291 255 I C -0.500 175.218 176.117 -0.665 0.000 1.010 255 I CA -0.156 60.907 61.300 -0.396 0.000 1.308 255 I CB 1.090 38.946 38.000 -0.241 0.000 1.400 255 I HN 0.615 nan 8.210 nan 0.000 0.488 256 E N 5.675 125.640 120.200 -0.392 0.000 2.283 256 E HA 0.551 4.901 4.350 -0.000 0.000 0.258 256 E C -0.776 175.767 176.600 -0.094 0.000 0.893 256 E CA -0.190 56.045 56.400 -0.275 0.000 0.798 256 E CB 1.137 30.746 29.700 -0.152 0.000 1.242 256 E HN 0.682 nan 8.360 nan 0.000 0.414 257 E N 1.933 122.104 120.200 -0.048 0.000 2.370 257 E HA 0.518 4.867 4.350 -0.000 0.000 0.259 257 E C 0.722 177.346 176.600 0.040 0.000 0.947 257 E CA 0.257 56.668 56.400 0.019 0.000 0.809 257 E CB 0.212 29.961 29.700 0.081 0.000 1.300 257 E HN 0.525 nan 8.360 nan 0.000 0.419 258 E N 0.147 120.379 120.200 0.054 0.000 2.110 258 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 258 E C 1.274 177.917 176.600 0.072 0.000 0.988 258 E CA 1.813 58.244 56.400 0.052 0.000 0.804 258 E CB -0.261 29.464 29.700 0.042 0.000 0.745 258 E HN 0.434 nan 8.360 nan 0.000 0.458 259 N N -0.680 118.096 118.700 0.126 0.000 2.187 259 N HA 0.488 5.228 4.740 -0.000 0.000 0.212 259 N C -0.421 175.162 175.510 0.121 0.000 1.152 259 N CA 0.824 53.968 53.050 0.157 0.000 0.872 259 N CB 1.518 40.140 38.487 0.225 0.000 1.025 259 N HN 0.591 nan 8.380 nan 0.000 0.514 260 A N 0.157 123.010 122.820 0.056 0.000 2.601 260 A HA 0.677 4.996 4.320 -0.000 0.000 0.291 260 A C -0.986 176.549 177.584 -0.081 0.000 1.075 260 A CA -0.761 51.225 52.037 -0.085 0.000 0.671 260 A CB 0.814 19.609 19.000 -0.343 0.000 1.277 260 A HN 0.087 nan 8.150 nan 0.000 0.417 261 I N -2.130 118.378 120.570 -0.103 0.000 3.294 261 I HA 1.049 5.218 4.170 -0.000 0.000 0.311 261 I C 0.256 176.286 176.117 -0.145 0.000 1.111 261 I CA -0.765 60.439 61.300 -0.159 0.000 0.976 261 I CB 2.128 40.114 38.000 -0.023 0.000 1.260 261 I HN 1.484 nan 8.210 nan 0.000 0.474 262 G N 0.733 109.431 108.800 -0.170 0.000 2.321 262 G HA2 0.509 4.469 3.960 -0.000 0.000 0.296 262 G HA3 0.509 4.469 3.960 -0.000 0.000 0.296 262 G C -1.789 173.176 174.900 0.108 0.000 1.287 262 G CA -0.406 44.665 45.100 -0.047 0.000 0.846 262 G HN 1.122 nan 8.290 nan 0.000 0.508 263 F N -1.822 118.150 119.950 0.037 0.000 2.685 263 F HA 0.857 5.384 4.527 -0.000 0.000 0.315 263 F C -1.165 174.683 175.800 0.081 0.000 1.126 263 F CA -1.521 56.530 58.000 0.084 0.000 0.950 263 F CB 1.717 40.796 39.000 0.131 0.000 1.360 263 F HN 0.479 nan 8.300 nan 0.000 0.469 264 V N 1.766 121.862 119.914 0.303 0.000 2.444 264 V HA 0.480 4.600 4.120 -0.000 0.000 0.294 264 V C -0.810 175.483 176.094 0.332 0.000 1.022 264 V CA -0.838 61.583 62.300 0.202 0.000 0.850 264 V CB 1.506 33.395 31.823 0.110 0.000 0.992 264 V HN 0.824 nan 8.190 nan 0.000 0.426 265 K N 7.117 127.733 120.400 0.359 0.000 2.358 265 K HA 0.549 4.869 4.320 -0.000 0.000 0.260 265 K C -2.732 173.986 176.600 0.196 0.000 0.956 265 K CA -2.037 54.397 56.287 0.246 0.000 0.834 265 K CB 2.369 34.977 32.500 0.179 0.000 1.102 265 K HN 0.390 nan 8.250 nan 0.000 0.431 266 P HA 0.025 nan 4.420 nan 0.000 0.275 266 P C -0.966 176.452 177.300 0.196 0.000 1.227 266 P CA 0.037 63.245 63.100 0.180 0.000 0.781 266 P CB 0.500 32.281 31.700 0.135 0.000 0.906 267 Y N 0.747 121.288 120.300 0.401 0.000 2.418 267 Y HA 0.419 4.969 4.550 -0.000 0.000 0.327 267 Y C 1.474 177.503 175.900 0.215 0.000 1.309 267 Y CA -0.784 57.525 58.100 0.349 0.000 1.423 267 Y CB 0.206 38.887 38.460 0.369 0.000 1.423 267 Y HN 0.399 nan 8.280 nan 0.000 0.532 268 A N 0.652 123.681 122.820 0.348 0.000 2.561 268 A HA 0.349 4.669 4.320 -0.000 0.000 0.234 268 A C 1.175 178.794 177.584 0.058 0.000 1.055 268 A CA 0.364 52.504 52.037 0.171 0.000 0.756 268 A CB -1.094 17.989 19.000 0.138 0.000 0.986 268 A HN 1.240 nan 8.150 nan 0.000 0.505 269 K N 1.211 121.588 120.400 -0.037 0.000 3.013 269 K HA -0.324 3.996 4.320 -0.000 0.000 0.275 269 K C 0.582 176.960 176.600 -0.369 0.000 1.086 269 K CA 2.483 58.641 56.287 -0.215 0.000 0.814 269 K CB -2.740 29.597 32.500 -0.271 0.000 1.212 269 K HN 2.263 nan 8.250 nan 0.000 0.468 270 N N -2.399 116.229 118.700 -0.121 0.000 2.828 270 N HA -0.236 4.504 4.740 -0.000 0.000 0.248 270 N C 0.869 176.379 175.510 -0.001 0.000 1.044 270 N CA 1.546 54.583 53.050 -0.023 0.000 0.851 270 N CB -1.039 37.436 38.487 -0.020 0.000 1.136 270 N HN 0.874 nan 8.380 nan 0.000 0.572 271 H N -1.550 117.565 119.070 0.075 0.000 2.321 271 H HA 0.009 4.565 4.556 -0.000 0.000 0.300 271 H C 0.241 175.413 175.328 -0.261 0.000 1.087 271 H CA 1.611 57.582 56.048 -0.128 0.000 1.319 271 H CB -0.151 29.492 29.762 -0.198 0.000 1.379 271 H HN 0.384 nan 8.280 nan 0.000 0.501 272 Y N -0.823 119.723 120.300 0.409 0.000 2.549 272 Y HA 0.479 5.029 4.550 -0.000 0.000 0.339 272 Y C 0.189 176.432 175.900 0.573 0.000 1.053 272 Y CA -0.761 57.590 58.100 0.418 0.000 1.105 272 Y CB 1.933 40.611 38.460 0.364 0.000 1.258 272 Y HN -0.215 nan 8.280 nan 0.000 0.478 273 S N 1.190 117.295 115.700 0.675 0.000 2.541 273 S HA 0.424 4.894 4.470 -0.000 0.000 0.280 273 S C -1.705 173.248 174.600 0.589 0.000 1.112 273 S CA -0.747 57.779 58.200 0.543 0.000 0.925 273 S CB 1.083 64.470 63.200 0.312 0.000 1.067 273 S HN 0.478 nan 8.310 nan 0.000 0.479 274 F N 3.461 123.634 119.950 0.371 0.000 2.420 274 F HA 0.606 5.132 4.527 -0.000 0.000 0.352 274 F C -0.590 175.346 175.800 0.227 0.000 1.108 274 F CA -0.257 57.989 58.000 0.410 0.000 1.162 274 F CB 0.544 39.845 39.000 0.502 0.000 1.118 274 F HN 0.243 nan 8.300 nan 0.000 0.510 275 V N 6.321 125.991 119.914 -0.408 0.000 2.417 275 V HA 0.734 4.854 4.120 -0.000 0.000 0.291 275 V C -0.207 175.561 176.094 -0.544 0.000 1.024 275 V CA -0.652 61.448 62.300 -0.333 0.000 0.861 275 V CB 1.086 32.822 31.823 -0.146 0.000 0.985 275 V HN 0.979 nan 8.190 nan 0.000 0.436 276 A N 6.393 128.887 122.820 -0.544 0.000 2.342 276 A HA 0.930 5.250 4.320 -0.000 0.000 0.323 276 A C -0.855 176.579 177.584 -0.251 0.000 1.125 276 A CA -0.521 51.277 52.037 -0.399 0.000 0.785 276 A CB 0.910 19.525 19.000 -0.642 0.000 1.221 276 A HN 0.769 nan 8.150 nan 0.000 0.463 277 I N 2.834 123.374 120.570 -0.050 0.000 2.468 277 I HA 0.277 4.447 4.170 -0.000 0.000 0.285 277 I C -0.860 175.239 176.117 -0.029 0.000 1.039 277 I CA -0.205 61.049 61.300 -0.077 0.000 1.074 277 I CB 1.723 39.681 38.000 -0.070 0.000 1.228 277 I HN 0.518 nan 8.210 nan 0.000 0.436 278 L N 8.511 129.695 121.223 -0.064 0.000 2.264 278 L HA 0.505 4.845 4.340 -0.000 0.000 0.287 278 L C -2.314 174.479 176.870 -0.129 0.000 1.039 278 L CA -1.623 53.211 54.840 -0.010 0.000 0.829 278 L CB 1.601 43.680 42.059 0.034 0.000 1.211 278 L HN 0.220 nan 8.230 nan 0.000 0.427 279 P HA 0.057 nan 4.420 nan 0.000 0.269 279 P C -0.857 176.403 177.300 -0.066 0.000 1.209 279 P CA -0.318 62.649 63.100 -0.222 0.000 0.776 279 P CB 0.549 32.159 31.700 -0.150 0.000 0.876 280 D N 1.228 121.611 120.400 -0.029 0.000 2.419 280 D HA -0.060 4.580 4.640 -0.000 0.000 0.236 280 D C 1.536 177.840 176.300 0.006 0.000 1.165 280 D CA 0.294 54.296 54.000 0.003 0.000 0.882 280 D CB 0.295 41.108 40.800 0.022 0.000 1.201 280 D HN 0.432 nan 8.370 nan 0.000 0.443 281 E N 0.997 121.201 120.200 0.006 0.000 2.086 281 E HA -0.312 4.037 4.350 -0.000 0.000 0.205 281 E C 1.546 178.145 176.600 -0.001 0.000 1.027 281 E CA 1.906 58.306 56.400 -0.000 0.000 0.830 281 E CB -0.126 29.572 29.700 -0.002 0.000 0.751 281 E HN 0.605 nan 8.360 nan 0.000 0.456 282 N N -0.144 118.559 118.700 0.005 0.000 2.270 282 N HA -0.072 4.668 4.740 -0.000 0.000 0.181 282 N C 0.895 176.411 175.510 0.009 0.000 1.016 282 N CA 0.274 53.327 53.050 0.005 0.000 0.870 282 N CB -0.086 38.405 38.487 0.007 0.000 0.979 282 N HN -0.095 nan 8.380 nan 0.000 0.431 283 I N 1.719 122.302 120.570 0.022 0.000 2.496 283 I HA 0.175 4.345 4.170 -0.000 0.000 0.285 283 I C 0.621 176.757 176.117 0.031 0.000 1.080 283 I CA -0.944 60.378 61.300 0.037 0.000 1.404 283 I CB 0.398 38.444 38.000 0.075 0.000 1.403 283 I HN 0.548 nan 8.210 nan 0.000 0.539 284 S N 5.799 121.513 115.700 0.024 0.000 2.614 284 S HA 0.258 4.728 4.470 -0.000 0.000 0.265 284 S C 1.099 175.722 174.600 0.039 0.000 1.303 284 S CA -0.391 57.814 58.200 0.008 0.000 1.000 284 S CB 1.427 64.619 63.200 -0.014 0.000 0.935 284 S HN 0.603 nan 8.310 nan 0.000 0.551 285 V N 2.141 122.066 119.914 0.019 0.000 2.307 285 V HA -0.160 3.960 4.120 -0.000 0.000 0.245 285 V C 2.857 178.978 176.094 0.045 0.000 1.045 285 V CA 2.110 64.439 62.300 0.048 0.000 1.024 285 V CB -1.222 30.609 31.823 0.014 0.000 0.651 285 V HN 1.018 nan 8.190 nan 0.000 0.449 286 N N 0.142 118.830 118.700 -0.019 0.000 2.069 286 N HA -0.267 4.473 4.740 -0.000 0.000 0.191 286 N C 2.010 177.494 175.510 -0.044 0.000 1.031 286 N CA 2.132 55.146 53.050 -0.061 0.000 0.852 286 N CB -0.076 38.367 38.487 -0.073 0.000 1.018 286 N HN 0.644 nan 8.380 nan 0.000 0.423 287 E N -0.673 119.521 120.200 -0.011 0.000 2.070 287 E HA -0.259 4.090 4.350 -0.000 0.000 0.197 287 E C 1.990 178.597 176.600 0.011 0.000 1.004 287 E CA 1.291 57.689 56.400 -0.005 0.000 0.805 287 E CB -0.286 29.423 29.700 0.015 0.000 0.744 287 E HN 0.474 nan 8.360 nan 0.000 0.451 288 Y N 1.069 121.349 120.300 -0.034 0.000 2.097 288 Y HA -0.234 4.316 4.550 -0.000 0.000 0.282 288 Y C 2.090 177.976 175.900 -0.023 0.000 1.152 288 Y CA 2.044 60.137 58.100 -0.012 0.000 1.136 288 Y CB -0.342 38.127 38.460 0.016 0.000 0.975 288 Y HN 0.029 nan 8.280 nan 0.000 0.498 289 I N 0.468 121.058 120.570 0.034 0.000 2.185 289 I HA -0.408 3.762 4.170 -0.000 0.000 0.246 289 I C 2.321 178.310 176.117 -0.213 0.000 1.088 289 I CA 1.898 63.134 61.300 -0.106 0.000 1.347 289 I CB -0.453 37.396 38.000 -0.251 0.000 1.041 289 I HN 0.235 nan 8.210 nan 0.000 0.415 290 K N 0.019 120.308 120.400 -0.185 0.000 2.283 290 K HA -0.143 4.177 4.320 -0.000 0.000 0.202 290 K C 1.984 178.483 176.600 -0.169 0.000 1.048 290 K CA 1.788 57.976 56.287 -0.166 0.000 0.948 290 K CB -0.223 32.202 32.500 -0.125 0.000 0.742 290 K HN 0.525 nan 8.250 nan 0.000 0.458 291 T N -1.037 113.380 114.554 -0.228 0.000 3.088 291 T HA 0.038 4.388 4.350 -0.000 0.000 0.259 291 T C 0.659 175.220 174.700 -0.231 0.000 1.122 291 T CA -0.114 61.850 62.100 -0.227 0.000 1.095 291 T CB 0.035 68.748 68.868 -0.257 0.000 0.930 291 T HN -0.174 nan 8.240 nan 0.000 0.508 292 L N 3.356 124.428 121.223 -0.252 0.000 2.436 292 L HA 0.523 4.863 4.340 -0.000 0.000 0.265 292 L C 0.831 177.651 176.870 -0.084 0.000 1.168 292 L CA 0.349 55.102 54.840 -0.145 0.000 0.815 292 L CB 1.127 43.139 42.059 -0.078 0.000 1.109 292 L HN 0.564 nan 8.230 nan 0.000 0.462 293 T N -1.662 112.871 114.554 -0.035 0.000 2.812 293 T HA 0.525 4.874 4.350 -0.000 0.000 0.294 293 T C 0.938 175.628 174.700 -0.017 0.000 1.159 293 T CA -0.295 61.779 62.100 -0.044 0.000 1.008 293 T CB 1.044 69.890 68.868 -0.036 0.000 1.289 293 T HN 0.547 nan 8.240 nan 0.000 0.514 294 G N -0.064 108.683 108.800 -0.088 0.000 2.514 294 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.217 294 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.217 294 G C 1.746 176.645 174.900 -0.001 0.000 1.198 294 G CA 1.959 46.999 45.100 -0.100 0.000 0.780 294 G HN 1.176 nan 8.290 nan 0.000 0.565 295 Q N 0.337 120.128 119.800 -0.014 0.000 2.061 295 Q HA -0.095 4.244 4.340 -0.000 0.000 0.204 295 Q C 2.462 178.510 176.000 0.080 0.000 0.984 295 Q CA 2.191 58.043 55.803 0.081 0.000 0.846 295 Q CB -0.686 28.146 28.738 0.156 0.000 0.902 295 Q HN 0.616 nan 8.270 nan 0.000 0.421 296 K N -1.058 119.382 120.400 0.067 0.000 2.152 296 K HA -0.043 4.276 4.320 -0.000 0.000 0.206 296 K C 1.804 178.459 176.600 0.092 0.000 1.048 296 K CA 1.487 57.809 56.287 0.059 0.000 0.933 296 K CB -0.276 32.240 32.500 0.026 0.000 0.721 296 K HN 0.560 nan 8.250 nan 0.000 0.447 297 F N 1.034 120.974 119.950 -0.017 0.000 2.149 297 F HA -0.131 4.395 4.527 -0.000 0.000 0.294 297 F C 1.732 177.532 175.800 0.000 0.000 1.095 297 F CA 0.897 58.895 58.000 -0.004 0.000 1.276 297 F CB 0.026 39.015 39.000 -0.017 0.000 1.023 297 F HN -0.134 nan 8.300 nan 0.000 0.480 298 I N 0.949 121.581 120.570 0.103 0.000 2.118 298 I HA -0.326 3.844 4.170 -0.000 0.000 0.241 298 I C 1.947 178.024 176.117 -0.067 0.000 1.070 298 I CA 1.763 63.068 61.300 0.009 0.000 1.327 298 I CB -1.447 36.602 38.000 0.082 0.000 1.034 298 I HN 0.177 nan 8.210 nan 0.000 0.405 299 D N 0.600 120.986 120.400 -0.023 0.000 2.117 299 D HA -0.142 4.498 4.640 -0.000 0.000 0.198 299 D C 2.280 178.545 176.300 -0.059 0.000 0.982 299 D CA 0.610 54.597 54.000 -0.021 0.000 0.828 299 D CB -0.442 40.364 40.800 0.010 0.000 0.967 299 D HN 0.202 nan 8.370 nan 0.000 0.464 300 L N 0.310 121.479 121.223 -0.090 0.000 2.064 300 L HA -0.237 4.102 4.340 -0.000 0.000 0.216 300 L C 2.024 178.796 176.870 -0.163 0.000 1.077 300 L CA 1.408 56.174 54.840 -0.122 0.000 0.766 300 L CB -0.064 41.897 42.059 -0.164 0.000 0.890 300 L HN 0.068 nan 8.230 nan 0.000 0.435 301 I N -1.683 118.754 120.570 -0.222 0.000 2.429 301 I HA -0.192 3.978 4.170 -0.000 0.000 0.247 301 I C 2.442 178.509 176.117 -0.083 0.000 1.099 301 I CA 0.582 61.772 61.300 -0.184 0.000 1.422 301 I CB -0.268 37.578 38.000 -0.256 0.000 1.112 301 I HN 0.100 nan 8.210 nan 0.000 0.430 302 K N 1.263 121.627 120.400 -0.061 0.000 2.009 302 K HA -0.197 4.123 4.320 -0.000 0.000 0.210 302 K C 1.678 178.272 176.600 -0.010 0.000 1.049 302 K CA 2.066 58.342 56.287 -0.018 0.000 0.929 302 K CB -0.331 32.167 32.500 -0.003 0.000 0.714 302 K HN 0.368 nan 8.250 nan 0.000 0.440 303 N N 0.521 119.210 118.700 -0.018 0.000 2.519 303 N HA -0.056 4.683 4.740 -0.000 0.000 0.186 303 N C 0.077 175.585 175.510 -0.003 0.000 1.062 303 N CA -0.156 52.890 53.050 -0.007 0.000 0.910 303 N CB -0.013 38.468 38.487 -0.010 0.000 0.958 303 N HN 0.177 nan 8.380 nan 0.000 0.445 304 A N 1.702 124.513 122.820 -0.014 0.000 2.584 304 A HA -0.074 4.246 4.320 -0.000 0.000 0.239 304 A C 0.229 177.843 177.584 0.049 0.000 1.043 304 A CA 0.471 52.508 52.037 0.000 0.000 0.756 304 A CB 0.197 19.197 19.000 0.000 0.000 0.963 304 A HN 0.196 nan 8.150 nan 0.000 0.511 305 K N 1.548 122.004 120.400 0.092 0.000 2.218 305 K HA 0.313 4.633 4.320 -0.000 0.000 0.276 305 K C -0.895 175.783 176.600 0.130 0.000 1.022 305 K CA -0.278 56.081 56.287 0.120 0.000 0.946 305 K CB 0.923 33.524 32.500 0.168 0.000 1.000 305 K HN 0.528 nan 8.250 nan 0.000 0.468 306 I N 2.133 122.757 120.570 0.089 0.000 2.308 306 I HA 0.078 4.248 4.170 -0.000 0.000 0.293 306 I C 0.286 176.442 176.117 0.065 0.000 1.078 306 I CA 0.680 62.025 61.300 0.075 0.000 1.292 306 I CB 1.048 39.079 38.000 0.053 0.000 1.423 306 I HN 0.563 nan 8.210 nan 0.000 0.493 307 T N 5.987 120.581 114.554 0.067 0.000 3.168 307 T HA 0.229 4.579 4.350 -0.000 0.000 0.373 307 T C -1.115 173.600 174.700 0.025 0.000 1.681 307 T CA -0.795 61.325 62.100 0.034 0.000 1.135 307 T CB 0.371 69.244 68.868 0.008 0.000 1.477 307 T HN 0.321 nan 8.240 nan 0.000 0.480 308 L N 4.972 126.204 121.223 0.016 0.000 2.700 308 L HA 0.344 4.683 4.340 -0.000 0.000 0.276 308 L C -0.417 176.459 176.870 0.010 0.000 1.200 308 L CA 0.824 55.674 54.840 0.018 0.000 0.951 308 L CB -0.018 42.063 42.059 0.036 0.000 1.226 308 L HN 0.521 nan 8.230 nan 0.000 0.489 309 V N 5.537 125.451 119.914 0.001 0.000 2.370 309 V HA 0.579 4.699 4.120 -0.000 0.000 0.283 309 V C 0.683 176.750 176.094 -0.046 0.000 1.023 309 V CA -0.376 61.916 62.300 -0.013 0.000 0.857 309 V CB 1.069 32.919 31.823 0.045 0.000 0.985 309 V HN 0.795 nan 8.190 nan 0.000 0.443 310 R N 3.308 123.818 120.500 0.017 0.000 2.248 310 R HA 0.770 5.110 4.340 -0.000 0.000 0.337 310 R C 0.080 176.326 176.300 -0.089 0.000 1.085 310 R CA 0.299 56.383 56.100 -0.026 0.000 0.934 310 R CB 0.456 30.787 30.300 0.052 0.000 1.034 310 R HN 1.196 nan 8.270 nan 0.000 0.465 311 A N 1.429 124.116 122.820 -0.221 0.000 2.331 311 A HA 0.713 5.033 4.320 -0.000 0.000 0.320 311 A C -0.223 177.222 177.584 -0.232 0.000 1.138 311 A CA -0.469 51.319 52.037 -0.415 0.000 0.790 311 A CB 1.686 20.031 19.000 -1.091 0.000 1.206 311 A HN 0.808 nan 8.150 nan 0.000 0.470 312 S N 1.578 117.231 115.700 -0.079 0.000 2.707 312 S HA 0.545 5.015 4.470 -0.000 0.000 0.312 312 S C -1.427 173.322 174.600 0.249 0.000 1.116 312 S CA -0.395 57.862 58.200 0.094 0.000 1.078 312 S CB 0.349 63.606 63.200 0.095 0.000 0.997 312 S HN 0.965 nan 8.310 nan 0.000 0.477 313 L N 7.938 129.262 121.223 0.168 0.000 2.343 313 L HA 0.695 5.035 4.340 -0.000 0.000 0.278 313 L C -2.554 174.266 176.870 -0.083 0.000 0.996 313 L CA -1.904 53.001 54.840 0.107 0.000 0.831 313 L CB 1.629 43.747 42.059 0.098 0.000 1.232 313 L HN 0.332 nan 8.230 nan 0.000 0.413 314 P HA 0.103 nan 4.420 nan 0.000 0.271 314 P C -1.052 176.121 177.300 -0.212 0.000 1.216 314 P CA -0.221 62.557 63.100 -0.536 0.000 0.771 314 P CB 0.532 31.812 31.700 -0.700 0.000 0.864 315 K N 3.129 123.372 120.400 -0.261 0.000 2.451 315 K HA 0.251 4.571 4.320 -0.000 0.000 0.280 315 K C 0.236 176.782 176.600 -0.090 0.000 1.020 315 K CA 0.625 56.782 56.287 -0.217 0.000 1.008 315 K CB -0.208 32.188 32.500 -0.173 0.000 0.917 315 K HN 0.500 nan 8.250 nan 0.000 0.478 316 F N -0.286 119.566 119.950 -0.163 0.000 2.686 316 F HA 0.597 5.124 4.527 -0.000 0.000 0.311 316 F C -1.388 174.328 175.800 -0.139 0.000 1.128 316 F CA -1.328 56.592 58.000 -0.133 0.000 0.946 316 F CB 1.457 40.379 39.000 -0.130 0.000 1.336 316 F HN 0.403 nan 8.300 nan 0.000 0.457 317 K N 1.161 121.659 120.400 0.163 0.000 2.562 317 K HA 0.667 4.987 4.320 -0.000 0.000 0.267 317 K C -2.415 174.249 176.600 0.106 0.000 0.938 317 K CA -0.703 55.525 56.287 -0.098 0.000 0.840 317 K CB 2.862 35.281 32.500 -0.135 0.000 1.390 317 K HN 1.310 nan 8.250 nan 0.000 0.428 318 Y N -1.957 118.193 120.300 -0.250 0.000 2.732 318 Y HA 0.389 4.939 4.550 -0.000 0.000 0.342 318 Y C -1.639 174.287 175.900 0.042 0.000 1.203 318 Y CA -1.158 56.931 58.100 -0.018 0.000 1.092 318 Y CB 0.818 39.307 38.460 0.049 0.000 1.345 318 Y HN 0.631 nan 8.280 nan 0.000 0.458 319 E N 0.927 121.407 120.200 0.467 0.000 2.248 319 E HA 0.405 4.755 4.350 -0.000 0.000 0.272 319 E C -2.020 174.900 176.600 0.534 0.000 1.008 319 E CA -1.065 55.604 56.400 0.448 0.000 0.856 319 E CB 2.284 32.195 29.700 0.351 0.000 1.120 319 E HN 0.605 nan 8.360 nan 0.000 0.397 320 Y N 0.798 121.278 120.300 0.300 0.000 2.361 320 Y HA 0.227 4.777 4.550 -0.000 0.000 0.328 320 Y C -1.170 174.862 175.900 0.220 0.000 1.044 320 Y CA -0.495 57.766 58.100 0.269 0.000 1.085 320 Y CB 1.618 40.270 38.460 0.321 0.000 1.194 320 Y HN 0.353 nan 8.280 nan 0.000 0.438 321 T N 7.542 121.956 114.554 -0.234 0.000 2.824 321 T HA 0.613 4.963 4.350 -0.000 0.000 0.280 321 T C -1.080 173.413 174.700 -0.346 0.000 0.995 321 T CA -0.502 61.500 62.100 -0.163 0.000 1.009 321 T CB 1.159 69.971 68.868 -0.093 0.000 0.955 321 T HN 0.622 nan 8.240 nan 0.000 0.452 322 I N 1.359 121.867 120.570 -0.103 0.000 2.586 322 I HA 0.572 4.742 4.170 -0.000 0.000 0.288 322 I C -0.243 175.897 176.117 0.039 0.000 1.147 322 I CA -0.838 60.418 61.300 -0.073 0.000 1.047 322 I CB 1.012 39.019 38.000 0.011 0.000 1.244 322 I HN 0.663 nan 8.210 nan 0.000 0.429 323 K N 7.169 127.575 120.400 0.010 0.000 2.363 323 K HA 0.286 4.606 4.320 -0.000 0.000 0.289 323 K C 0.056 176.671 176.600 0.024 0.000 1.063 323 K CA 0.031 56.341 56.287 0.038 0.000 0.967 323 K CB 0.363 32.874 32.500 0.018 0.000 0.987 323 K HN 0.828 nan 8.250 nan 0.000 0.473 324 M N 2.088 121.725 119.600 0.061 0.000 2.495 324 M HA -0.010 4.470 4.480 -0.000 0.000 0.237 324 M C 0.764 177.031 176.300 -0.055 0.000 1.131 324 M CA 0.168 55.490 55.300 0.035 0.000 1.032 324 M CB 0.032 32.690 32.600 0.097 0.000 1.513 324 M HN 0.808 nan 8.290 nan 0.000 0.488 325 N N 1.293 119.878 118.700 -0.191 0.000 2.018 325 N HA -0.249 4.491 4.740 -0.000 0.000 0.196 325 N C 1.477 176.674 175.510 -0.522 0.000 1.043 325 N CA 1.665 54.302 53.050 -0.689 0.000 0.856 325 N CB -0.439 37.631 38.487 -0.695 0.000 1.042 325 N HN 0.308 nan 8.380 nan 0.000 0.423 326 E N 0.207 120.239 120.200 -0.280 0.000 2.085 326 E HA -0.133 4.216 4.350 -0.000 0.000 0.194 326 E C 1.618 178.146 176.600 -0.119 0.000 0.994 326 E CA 1.784 58.080 56.400 -0.174 0.000 0.801 326 E CB -0.500 29.135 29.700 -0.108 0.000 0.743 326 E HN 0.369 nan 8.360 nan 0.000 0.453 327 T N 0.871 115.369 114.554 -0.093 0.000 2.674 327 T HA -0.122 4.228 4.350 -0.000 0.000 0.265 327 T C 1.871 176.551 174.700 -0.034 0.000 1.039 327 T CA 1.476 63.539 62.100 -0.061 0.000 1.150 327 T CB -0.328 68.512 68.868 -0.048 0.000 0.864 327 T HN 0.130 nan 8.240 nan 0.000 0.427 328 L N 0.585 121.808 121.223 -0.000 0.000 2.083 328 L HA -0.093 4.247 4.340 -0.000 0.000 0.209 328 L C 2.741 179.687 176.870 0.126 0.000 1.083 328 L CA 1.407 56.319 54.840 0.120 0.000 0.752 328 L CB -0.594 41.645 42.059 0.300 0.000 0.899 328 L HN 0.335 nan 8.230 nan 0.000 0.433 329 E N -0.634 119.584 120.200 0.030 0.000 2.160 329 E HA -0.228 4.122 4.350 -0.000 0.000 0.195 329 E C 2.287 178.906 176.600 0.033 0.000 0.991 329 E CA 1.366 57.794 56.400 0.047 0.000 0.810 329 E CB -0.023 29.644 29.700 -0.055 0.000 0.742 329 E HN 0.238 nan 8.360 nan 0.000 0.466 330 S N -0.073 115.626 115.700 -0.001 0.000 2.461 330 S HA 0.025 4.495 4.470 -0.000 0.000 0.228 330 S C 1.486 176.087 174.600 0.002 0.000 1.005 330 S CA 0.329 58.522 58.200 -0.011 0.000 0.942 330 S CB 0.101 63.279 63.200 -0.037 0.000 0.776 330 S HN 0.178 nan 8.310 nan 0.000 0.514 331 L N 0.653 121.890 121.223 0.024 0.000 2.629 331 L HA 0.299 4.639 4.340 -0.000 0.000 0.230 331 L C 1.623 178.534 176.870 0.069 0.000 1.151 331 L CA 0.439 55.302 54.840 0.037 0.000 0.924 331 L CB -0.301 41.785 42.059 0.044 0.000 1.137 331 L HN 0.518 nan 8.230 nan 0.000 0.457 332 G N 0.673 109.516 108.800 0.071 0.000 2.175 332 G HA2 -0.345 3.614 3.960 -0.000 0.000 0.244 332 G HA3 -0.345 3.614 3.960 -0.000 0.000 0.244 332 G C 0.344 175.309 174.900 0.107 0.000 0.982 332 G CA 0.164 45.310 45.100 0.076 0.000 0.641 332 G HN 0.347 nan 8.290 nan 0.000 0.527 333 M N 2.912 122.605 119.600 0.156 0.000 2.455 333 M HA 0.471 4.950 4.480 -0.000 0.000 0.331 333 M C 1.486 177.960 176.300 0.290 0.000 1.481 333 M CA 1.156 56.583 55.300 0.212 0.000 1.362 333 M CB 0.223 32.994 32.600 0.286 0.000 1.564 333 M HN 0.364 nan 8.290 nan 0.000 0.458 334 T N -0.823 113.858 114.554 0.212 0.000 3.098 334 T HA 0.158 4.508 4.350 -0.000 0.000 0.246 334 T C 1.091 175.920 174.700 0.215 0.000 0.983 334 T CA 0.158 62.397 62.100 0.232 0.000 1.094 334 T CB -0.110 68.836 68.868 0.129 0.000 1.035 334 T HN 0.491 nan 8.240 nan 0.000 0.456 335 D N 2.644 123.112 120.400 0.114 0.000 2.123 335 D HA 0.069 4.709 4.640 -0.000 0.000 0.196 335 D C 2.320 178.665 176.300 0.075 0.000 0.992 335 D CA 1.566 55.606 54.000 0.067 0.000 0.833 335 D CB -0.636 40.166 40.800 0.004 0.000 0.954 335 D HN 0.543 nan 8.370 nan 0.000 0.455 336 A N -0.412 122.422 122.820 0.024 0.000 2.076 336 A HA -0.153 4.167 4.320 -0.000 0.000 0.220 336 A C 1.590 179.115 177.584 -0.100 0.000 1.160 336 A CA 0.944 52.992 52.037 0.019 0.000 0.653 336 A CB -0.821 18.150 19.000 -0.049 0.000 0.801 336 A HN 0.248 nan 8.150 nan 0.000 0.455 337 F N -0.907 119.169 119.950 0.210 0.000 2.727 337 F HA 0.334 4.861 4.527 -0.000 0.000 0.302 337 F C 0.287 176.164 175.800 0.128 0.000 1.097 337 F CA -0.045 58.070 58.000 0.192 0.000 1.330 337 F CB 0.187 39.264 39.000 0.129 0.000 1.084 337 F HN -0.052 nan 8.300 nan 0.000 0.578 338 L N 1.551 122.888 121.223 0.191 0.000 2.272 338 L HA 0.295 4.635 4.340 -0.000 0.000 0.289 338 L C -1.564 175.267 176.870 -0.066 0.000 1.032 338 L CA -1.895 52.966 54.840 0.034 0.000 0.810 338 L CB 1.213 43.300 42.059 0.046 0.000 1.205 338 L HN -0.219 nan 8.230 nan 0.000 0.422 339 P HA -0.196 nan 4.420 nan 0.000 0.217 339 P C 0.337 177.576 177.300 -0.102 0.000 1.148 339 P CA 1.257 64.136 63.100 -0.369 0.000 0.834 339 P CB 0.066 31.461 31.700 -0.508 0.000 0.783 340 D N -2.502 117.854 120.400 -0.073 0.000 2.525 340 D HA 0.098 4.738 4.640 -0.000 0.000 0.229 340 D C 0.975 177.272 176.300 -0.005 0.000 1.202 340 D CA -0.117 53.866 54.000 -0.028 0.000 0.828 340 D CB -0.083 40.698 40.800 -0.032 0.000 1.008 340 D HN 0.138 nan 8.370 nan 0.000 0.493 341 K N -0.856 119.551 120.400 0.011 0.000 2.552 341 K HA 0.265 4.584 4.320 -0.000 0.000 0.196 341 K C -0.025 176.586 176.600 0.018 0.000 1.785 341 K CA -0.053 56.242 56.287 0.014 0.000 1.076 341 K CB 1.096 33.605 32.500 0.014 0.000 1.559 341 K HN 0.081 nan 8.250 nan 0.000 0.591 342 A N 1.677 124.533 122.820 0.059 0.000 2.498 342 A HA 0.115 4.435 4.320 -0.000 0.000 0.239 342 A C -0.509 177.088 177.584 0.021 0.000 1.068 342 A CA 0.580 52.661 52.037 0.075 0.000 0.766 342 A CB 0.244 19.411 19.000 0.279 0.000 1.003 342 A HN 0.247 nan 8.150 nan 0.000 0.497 343 D N 2.101 122.401 120.400 -0.167 0.000 2.408 343 D HA 0.394 5.034 4.640 -0.000 0.000 0.261 343 D C -1.324 174.751 176.300 -0.376 0.000 1.190 343 D CA -0.120 53.777 54.000 -0.172 0.000 0.910 343 D CB 0.177 40.884 40.800 -0.154 0.000 1.097 343 D HN 0.338 nan 8.370 nan 0.000 0.522 344 F N 1.641 121.585 119.950 -0.009 0.000 2.928 344 F HA 0.065 4.592 4.527 -0.000 0.000 0.337 344 F C 2.146 177.923 175.800 -0.038 0.000 1.259 344 F CA -0.340 57.644 58.000 -0.028 0.000 1.267 344 F CB 0.637 39.617 39.000 -0.035 0.000 0.986 344 F HN 0.228 nan 8.300 nan 0.000 0.507 345 S N -0.712 115.024 115.700 0.061 0.000 2.383 345 S HA -0.178 4.292 4.470 -0.000 0.000 0.227 345 S C 1.943 176.554 174.600 0.018 0.000 1.026 345 S CA 0.873 59.091 58.200 0.031 0.000 0.981 345 S CB -0.183 63.021 63.200 0.006 0.000 0.818 345 S HN 0.416 nan 8.310 nan 0.000 0.472 346 K N 0.940 121.358 120.400 0.030 0.000 2.280 346 K HA 0.104 4.424 4.320 -0.000 0.000 0.202 346 K C 2.064 178.696 176.600 0.053 0.000 1.047 346 K CA 1.230 57.549 56.287 0.054 0.000 0.942 346 K CB -0.332 32.219 32.500 0.085 0.000 0.739 346 K HN 0.577 nan 8.250 nan 0.000 0.457 347 L N -1.687 119.514 121.223 -0.037 0.000 2.477 347 L HA 0.208 4.548 4.340 -0.000 0.000 0.220 347 L C 0.394 177.115 176.870 -0.248 0.000 1.106 347 L CA 0.309 54.947 54.840 -0.338 0.000 0.851 347 L CB 0.563 42.233 42.059 -0.649 0.000 0.994 347 L HN 0.090 nan 8.230 nan 0.000 0.462 348 G N -0.557 108.172 108.800 -0.118 0.000 2.328 348 G HA2 0.378 4.338 3.960 -0.000 0.000 0.299 348 G HA3 0.378 4.338 3.960 -0.000 0.000 0.299 348 G C -1.719 173.128 174.900 -0.088 0.000 1.435 348 G CA -0.317 44.680 45.100 -0.171 0.000 0.865 348 G HN 0.186 nan 8.290 nan 0.000 0.601 349 K N -0.935 119.371 120.400 -0.158 0.000 2.110 349 K HA 0.906 5.225 4.320 -0.000 0.000 0.263 349 K C 0.157 176.742 176.600 -0.025 0.000 0.975 349 K CA -0.091 56.150 56.287 -0.078 0.000 0.895 349 K CB 1.811 34.252 32.500 -0.098 0.000 1.060 349 K HN 1.928 nan 8.250 nan 0.000 0.448 350 S N 0.118 115.836 115.700 0.030 0.000 2.659 350 S HA 0.504 4.974 4.470 -0.000 0.000 0.312 350 S C 0.785 175.405 174.600 0.032 0.000 1.114 350 S CA 0.428 58.667 58.200 0.066 0.000 1.063 350 S CB 0.700 63.955 63.200 0.092 0.000 0.996 350 S HN 0.859 nan 8.310 nan 0.000 0.478 351 D N 4.324 124.737 120.400 0.022 0.000 2.149 351 D HA 0.083 4.723 4.640 -0.000 0.000 0.206 351 D C 2.319 178.630 176.300 0.018 0.000 0.967 351 D CA 1.501 55.508 54.000 0.011 0.000 0.848 351 D CB -1.276 39.524 40.800 0.000 0.000 0.998 351 D HN 0.852 nan 8.370 nan 0.000 0.474 352 I N 0.482 121.067 120.570 0.024 0.000 2.068 352 I HA 0.317 4.487 4.170 -0.000 0.000 0.238 352 I C 2.466 178.601 176.117 0.030 0.000 1.046 352 I CA 3.048 64.363 61.300 0.025 0.000 1.306 352 I CB -1.180 36.834 38.000 0.024 0.000 1.023 352 I HN 0.600 nan 8.210 nan 0.000 0.399 353 G N -1.584 107.242 108.800 0.043 0.000 2.825 353 G HA2 0.456 4.416 3.960 -0.000 0.000 0.191 353 G HA3 0.456 4.416 3.960 -0.000 0.000 0.191 353 G C -0.574 174.363 174.900 0.063 0.000 1.708 353 G CA 0.604 45.734 45.100 0.050 0.000 0.813 353 G HN 0.805 nan 8.290 nan 0.000 0.799 354 N N -0.904 117.854 118.700 0.097 0.000 2.452 354 N HA 0.429 5.169 4.740 -0.000 0.000 0.277 354 N C -1.221 174.403 175.510 0.190 0.000 1.078 354 N CA -0.545 52.576 53.050 0.118 0.000 0.947 354 N CB 1.738 40.282 38.487 0.095 0.000 1.655 354 N HN 0.234 nan 8.380 nan 0.000 0.490 355 L N 3.763 125.084 121.223 0.163 0.000 2.410 355 L HA 0.288 4.627 4.340 -0.000 0.000 0.273 355 L C -0.742 176.264 176.870 0.226 0.000 1.152 355 L CA -0.026 54.886 54.840 0.120 0.000 0.855 355 L CB -0.054 42.042 42.059 0.062 0.000 1.129 355 L HN 0.657 nan 8.230 nan 0.000 0.463 356 Y N 1.794 122.072 120.300 -0.036 0.000 2.513 356 Y HA 0.570 5.120 4.550 -0.000 0.000 0.340 356 Y C -0.709 175.081 175.900 -0.184 0.000 1.055 356 Y CA -1.422 56.656 58.100 -0.036 0.000 1.020 356 Y CB 0.685 39.159 38.460 0.023 0.000 1.301 356 Y HN 0.271 nan 8.280 nan 0.000 0.453 357 I N 3.747 124.163 120.570 -0.256 0.000 2.517 357 I HA 0.036 4.206 4.170 -0.000 0.000 0.285 357 I C 0.796 176.875 176.117 -0.063 0.000 1.106 357 I CA 0.456 61.553 61.300 -0.337 0.000 1.402 357 I CB 1.175 38.932 38.000 -0.405 0.000 1.399 357 I HN 0.883 nan 8.210 nan 0.000 0.535 358 S N 4.412 119.925 115.700 -0.312 0.000 2.371 358 S HA 0.059 4.529 4.470 -0.000 0.000 0.221 358 S C 0.356 174.992 174.600 0.060 0.000 1.036 358 S CA 0.824 58.952 58.200 -0.120 0.000 0.965 358 S CB 0.103 63.018 63.200 -0.474 0.000 0.845 358 S HN 0.645 nan 8.310 nan 0.000 0.475 359 E N 0.059 120.271 120.200 0.020 0.000 2.321 359 E HA 0.345 4.695 4.350 -0.000 0.000 0.278 359 E C -1.779 175.006 176.600 0.308 0.000 0.902 359 E CA -0.343 56.213 56.400 0.260 0.000 0.758 359 E CB 2.503 32.428 29.700 0.374 0.000 1.213 359 E HN -0.105 nan 8.360 nan 0.000 0.426 360 V N 3.839 123.947 119.914 0.323 0.000 2.339 360 V HA 0.204 4.324 4.120 -0.000 0.000 0.261 360 V C -0.443 175.790 176.094 0.232 0.000 1.058 360 V CA -0.380 62.090 62.300 0.283 0.000 0.897 360 V CB 0.448 32.468 31.823 0.328 0.000 1.052 360 V HN 0.481 nan 8.190 nan 0.000 0.480 361 L N 5.615 126.957 121.223 0.199 0.000 2.262 361 L HA 0.472 4.812 4.340 -0.000 0.000 0.288 361 L C -0.154 176.811 176.870 0.157 0.000 1.035 361 L CA 0.163 55.083 54.840 0.133 0.000 0.820 361 L CB 0.492 42.565 42.059 0.023 0.000 1.204 361 L HN 0.592 nan 8.230 nan 0.000 0.424 362 H N 5.457 124.580 119.070 0.087 0.000 2.539 362 H HA 0.416 4.972 4.556 -0.000 0.000 0.332 362 H C -1.271 174.123 175.328 0.110 0.000 1.031 362 H CA -0.589 55.531 56.048 0.120 0.000 1.206 362 H CB 1.396 31.244 29.762 0.144 0.000 1.446 362 H HN 0.577 nan 8.280 nan 0.000 0.496 363 K N 3.622 124.046 120.400 0.040 0.000 2.427 363 K HA 0.361 4.681 4.320 -0.000 0.000 0.252 363 K C -1.033 175.665 176.600 0.164 0.000 0.931 363 K CA -0.585 55.783 56.287 0.135 0.000 0.793 363 K CB 1.564 34.110 32.500 0.076 0.000 1.211 363 K HN 0.726 nan 8.250 nan 0.000 0.426 364 T N -0.450 114.290 114.554 0.311 0.000 2.887 364 T HA 0.658 5.008 4.350 -0.000 0.000 0.292 364 T C -1.103 173.799 174.700 0.337 0.000 1.087 364 T CA -0.790 61.535 62.100 0.375 0.000 1.009 364 T CB 1.196 70.383 68.868 0.532 0.000 1.203 364 T HN 0.448 nan 8.240 nan 0.000 0.518 365 F N 0.651 120.639 119.950 0.063 0.000 2.588 365 F HA 0.769 5.296 4.527 -0.000 0.000 0.314 365 F C -1.796 173.848 175.800 -0.260 0.000 1.134 365 F CA -1.109 56.848 58.000 -0.071 0.000 0.961 365 F CB 1.353 40.341 39.000 -0.020 0.000 1.239 365 F HN 0.846 nan 8.300 nan 0.000 0.448 366 I N 3.870 123.800 120.570 -1.067 0.000 2.934 366 I HA 0.652 4.822 4.170 -0.000 0.000 0.306 366 I C -1.445 174.000 176.117 -1.119 0.000 1.110 366 I CA -0.564 60.193 61.300 -0.905 0.000 1.019 366 I CB 2.307 39.934 38.000 -0.621 0.000 1.227 366 I HN 0.629 nan 8.210 nan 0.000 0.434 367 S N 4.722 120.041 115.700 -0.635 0.000 2.575 367 S HA 0.674 5.143 4.470 -0.000 0.000 0.278 367 S C -1.654 172.667 174.600 -0.465 0.000 1.139 367 S CA -0.440 57.458 58.200 -0.504 0.000 0.954 367 S CB 1.650 64.730 63.200 -0.201 0.000 1.054 367 S HN 0.330 nan 8.310 nan 0.000 0.483 368 V N 4.970 124.493 119.914 -0.653 0.000 2.407 368 V HA 0.639 4.759 4.120 -0.000 0.000 0.291 368 V C -0.501 175.398 176.094 -0.326 0.000 1.018 368 V CA -0.468 61.493 62.300 -0.564 0.000 0.842 368 V CB 1.524 32.720 31.823 -1.046 0.000 0.996 368 V HN 0.962 nan 8.190 nan 0.000 0.426 369 D N 1.645 122.007 120.400 -0.064 0.000 2.752 369 D HA 0.277 4.917 4.640 -0.000 0.000 0.313 369 D C 0.936 177.393 176.300 0.262 0.000 1.225 369 D CA -0.348 53.655 54.000 0.006 0.000 0.976 369 D CB 2.014 42.792 40.800 -0.037 0.000 1.443 369 D HN 0.551 nan 8.370 nan 0.000 0.515 370 E N 0.053 120.360 120.200 0.177 0.000 2.110 370 E HA -0.116 4.234 4.350 -0.000 0.000 0.193 370 E C 1.876 178.779 176.600 0.506 0.000 0.988 370 E CA 1.014 57.608 56.400 0.323 0.000 0.804 370 E CB 0.134 29.917 29.700 0.138 0.000 0.745 370 E HN 0.324 nan 8.360 nan 0.000 0.458 371 L N -0.303 121.097 121.223 0.294 0.000 2.375 371 L HA 0.196 4.535 4.340 -0.000 0.000 0.215 371 L C 1.574 178.491 176.870 0.078 0.000 1.108 371 L CA 0.604 55.579 54.840 0.226 0.000 0.830 371 L CB 0.280 42.389 42.059 0.085 0.000 0.959 371 L HN 0.429 nan 8.230 nan 0.000 0.457 372 G N -0.415 108.267 108.800 -0.197 0.000 1.849 372 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.066 372 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.066 372 G C 0.718 175.330 174.900 -0.479 0.000 0.986 372 G CA 0.283 44.848 45.100 -0.891 0.000 1.081 372 G HN 0.049 nan 8.290 nan 0.000 0.306 373 T N -0.611 113.769 114.554 -0.291 0.000 3.069 373 T HA 0.497 4.847 4.350 -0.000 0.000 0.252 373 T C 0.652 175.289 174.700 -0.104 0.000 1.053 373 T CA 0.709 62.697 62.100 -0.186 0.000 0.964 373 T CB 0.408 69.182 68.868 -0.157 0.000 1.005 373 T HN 0.366 nan 8.240 nan 0.000 0.532 374 K N 0.804 121.152 120.400 -0.088 0.000 2.267 374 K HA 0.778 5.098 4.320 -0.000 0.000 0.246 374 K C -0.520 176.073 176.600 -0.012 0.000 0.954 374 K CA -0.905 55.357 56.287 -0.042 0.000 0.824 374 K CB 2.154 34.628 32.500 -0.043 0.000 1.167 374 K HN 0.234 nan 8.250 nan 0.000 0.431 375 A N 0.689 123.506 122.820 -0.005 0.000 2.271 375 A HA 0.793 5.113 4.320 -0.000 0.000 0.288 375 A C -0.141 177.451 177.584 0.014 0.000 1.094 375 A CA -0.128 51.914 52.037 0.009 0.000 0.828 375 A CB 0.779 19.778 19.000 -0.002 0.000 1.091 375 A HN 0.734 nan 8.150 nan 0.000 0.493 376 G N -1.137 107.678 108.800 0.024 0.000 2.752 376 G HA2 0.675 4.634 3.960 -0.000 0.000 0.298 376 G HA3 0.675 4.634 3.960 -0.000 0.000 0.298 376 G C -0.485 174.431 174.900 0.028 0.000 1.434 376 G CA 0.109 45.226 45.100 0.028 0.000 1.004 376 G HN 1.470 nan 8.290 nan 0.000 0.560 377 A N 0.141 122.973 122.820 0.019 0.000 2.386 377 A HA 0.891 5.211 4.320 -0.000 0.000 0.248 377 A C 0.419 178.017 177.584 0.025 0.000 1.082 377 A CA 0.178 52.225 52.037 0.017 0.000 0.789 377 A CB 1.229 20.235 19.000 0.010 0.000 1.025 377 A HN 2.365 nan 8.150 nan 0.000 0.490 378 V N 0.714 120.641 119.914 0.022 0.000 3.155 378 V HA 0.586 4.706 4.120 -0.000 0.000 0.272 378 V C -0.642 175.459 176.094 0.012 0.000 1.639 378 V CA -0.095 62.215 62.300 0.018 0.000 1.006 378 V CB 1.768 33.605 31.823 0.024 0.000 1.244 378 V HN 1.270 nan 8.190 nan 0.000 0.458 379 T N 3.698 118.257 114.554 0.008 0.000 2.902 379 T HA 0.854 5.204 4.350 -0.000 0.000 0.283 379 T C 0.508 175.210 174.700 0.004 0.000 1.009 379 T CA 0.330 62.433 62.100 0.004 0.000 1.051 379 T CB 1.368 70.237 68.868 0.002 0.000 0.999 379 T HN 1.628 nan 8.240 nan 0.000 0.474 380 S N 1.209 116.910 115.700 0.002 0.000 2.641 380 S HA 0.607 5.077 4.470 -0.000 0.000 0.261 380 S C 0.101 174.700 174.600 -0.003 0.000 1.257 380 S CA -0.615 57.585 58.200 -0.001 0.000 0.983 380 S CB 0.237 63.435 63.200 -0.003 0.000 0.990 380 S HN 0.615 nan 8.310 nan 0.000 0.572 381 V N 1.293 121.203 119.914 -0.006 0.000 2.384 381 V HA 0.540 4.660 4.120 -0.000 0.000 0.287 381 V C 0.294 176.382 176.094 -0.009 0.000 1.020 381 V CA -0.361 61.935 62.300 -0.007 0.000 0.850 381 V CB 0.679 32.498 31.823 -0.007 0.000 0.987 381 V HN 0.922 nan 8.190 nan 0.000 0.436 382 D N 6.169 126.564 120.400 -0.008 0.000 2.435 382 D HA 0.443 5.083 4.640 -0.000 0.000 0.230 382 D C -0.018 176.275 176.300 -0.012 0.000 1.215 382 D CA -0.387 53.608 54.000 -0.010 0.000 0.947 382 D CB 0.310 41.105 40.800 -0.008 0.000 1.048 382 D HN 0.404 nan 8.370 nan 0.000 0.512 383 I N 1.990 122.551 120.570 -0.015 0.000 2.416 383 I HA 0.307 4.477 4.170 -0.000 0.000 0.288 383 I C 1.794 177.900 176.117 -0.018 0.000 1.051 383 I CA -0.570 60.720 61.300 -0.016 0.000 1.375 383 I CB 0.356 38.345 38.000 -0.019 0.000 1.407 383 I HN 0.591 nan 8.210 nan 0.000 0.516 384 T N 5.636 120.180 114.554 -0.016 0.000 2.708 384 T HA 0.298 4.647 4.350 -0.000 0.000 0.271 384 T C 0.902 175.589 174.700 -0.022 0.000 0.985 384 T CA -0.097 61.992 62.100 -0.018 0.000 1.229 384 T CB -0.158 68.700 68.868 -0.015 0.000 0.934 384 T HN 0.775 nan 8.240 nan 0.000 0.522 385 A N 3.189 125.994 122.820 -0.026 0.000 2.492 385 A HA 0.589 4.909 4.320 -0.000 0.000 0.236 385 A C 1.198 178.761 177.584 -0.035 0.000 1.078 385 A CA 0.116 52.133 52.037 -0.034 0.000 0.773 385 A CB -0.206 18.771 19.000 -0.038 0.000 1.023 385 A HN 1.924 nan 8.150 nan 0.000 0.504 386 A N 1.370 124.164 122.820 -0.043 0.000 2.484 386 A HA 0.449 4.769 4.320 -0.000 0.000 0.268 386 A C 1.480 179.038 177.584 -0.042 0.000 1.114 386 A CA 0.241 52.253 52.037 -0.041 0.000 0.780 386 A CB -0.488 18.484 19.000 -0.047 0.000 1.061 386 A HN 1.597 nan 8.150 nan 0.000 0.505 387 G N 2.333 111.113 108.800 -0.033 0.000 2.408 387 G HA2 0.197 4.157 3.960 -0.000 0.000 0.217 387 G HA3 0.197 4.157 3.960 -0.000 0.000 0.217 387 G C 0.949 175.831 174.900 -0.030 0.000 1.150 387 G CA 0.995 46.077 45.100 -0.030 0.000 0.776 387 G HN 1.389 nan 8.290 nan 0.000 0.542 388 I N 1.156 121.709 120.570 -0.028 0.000 2.556 388 I HA 0.688 4.858 4.170 -0.000 0.000 0.284 388 I C -0.317 175.781 176.117 -0.032 0.000 1.114 388 I CA -1.179 60.106 61.300 -0.024 0.000 1.418 388 I CB -0.603 37.386 38.000 -0.018 0.000 1.394 388 I HN 0.365 nan 8.210 nan 0.000 0.552 389 P HA 0.828 nan 4.420 nan 0.000 0.272 389 P C -0.501 176.795 177.300 -0.007 0.000 1.240 389 P CA 0.700 63.786 63.100 -0.023 0.000 0.791 389 P CB 0.834 32.535 31.700 0.001 0.000 0.978 390 V N 1.088 121.008 119.914 0.009 0.000 2.971 390 V HA 0.480 4.600 4.120 -0.000 0.000 0.309 390 V C -0.067 176.122 176.094 0.159 0.000 1.130 390 V CA -1.204 61.123 62.300 0.046 0.000 0.964 390 V CB 2.107 33.934 31.823 0.008 0.000 1.029 390 V HN 0.694 nan 8.190 nan 0.000 0.427 391 N N 3.372 122.143 118.700 0.117 0.000 2.452 391 N HA 0.510 5.249 4.740 -0.000 0.000 0.266 391 N C -1.269 174.335 175.510 0.158 0.000 1.209 391 N CA 0.610 53.727 53.050 0.110 0.000 0.929 391 N CB 0.605 39.104 38.487 0.019 0.000 1.063 391 N HN 0.722 nan 8.380 nan 0.000 0.472 392 F N 0.660 120.549 119.950 -0.101 0.000 2.561 392 F HA 0.534 5.061 4.527 -0.000 0.000 0.313 392 F C -0.682 175.007 175.800 -0.185 0.000 1.126 392 F CA -1.302 56.618 58.000 -0.133 0.000 0.918 392 F CB 0.964 39.901 39.000 -0.105 0.000 1.199 392 F HN -0.052 nan 8.300 nan 0.000 0.444 393 K N 2.205 122.408 120.400 -0.329 0.000 2.098 393 K HA 0.547 4.867 4.320 -0.000 0.000 0.261 393 K C -0.623 175.850 176.600 -0.212 0.000 0.987 393 K CA -0.517 55.471 56.287 -0.497 0.000 0.916 393 K CB 1.713 33.565 32.500 -1.080 0.000 1.039 393 K HN 0.868 nan 8.250 nan 0.000 0.455 394 T N -1.198 113.264 114.554 -0.152 0.000 2.792 394 T HA 0.444 4.794 4.350 -0.000 0.000 0.280 394 T C -0.258 174.486 174.700 0.072 0.000 0.990 394 T CA -0.841 61.264 62.100 0.008 0.000 0.960 394 T CB 1.181 70.058 68.868 0.015 0.000 0.939 394 T HN 0.144 nan 8.240 nan 0.000 0.439 395 V N 3.426 123.404 119.914 0.107 0.000 2.398 395 V HA 0.463 4.583 4.120 -0.000 0.000 0.282 395 V C -0.136 176.045 176.094 0.145 0.000 1.014 395 V CA -0.776 61.637 62.300 0.189 0.000 0.838 395 V CB 1.328 33.383 31.823 0.386 0.000 1.018 395 V HN 0.905 nan 8.190 nan 0.000 0.432 396 K N 5.362 125.831 120.400 0.114 0.000 2.367 396 K HA 0.551 4.871 4.320 -0.000 0.000 0.263 396 K C -0.561 176.135 176.600 0.160 0.000 1.000 396 K CA -0.698 55.650 56.287 0.102 0.000 0.891 396 K CB 1.114 33.619 32.500 0.008 0.000 1.117 396 K HN 0.627 nan 8.250 nan 0.000 0.443 397 L N 4.908 126.273 121.223 0.235 0.000 2.391 397 L HA 0.099 4.439 4.340 -0.000 0.000 0.249 397 L C 0.872 178.099 176.870 0.594 0.000 1.308 397 L CA -0.374 54.577 54.840 0.186 0.000 1.209 397 L CB -0.429 41.409 42.059 -0.368 0.000 1.401 397 L HN 0.644 nan 8.230 nan 0.000 0.416 398 N N 2.235 121.178 118.700 0.405 0.000 2.373 398 N HA 0.042 4.782 4.740 -0.000 0.000 0.181 398 N C 0.227 175.708 175.510 -0.047 0.000 1.082 398 N CA 0.215 53.446 53.050 0.302 0.000 0.885 398 N CB 0.427 38.962 38.487 0.079 0.000 0.977 398 N HN 0.581 nan 8.380 nan 0.000 0.462 399 R N -1.842 118.615 120.500 -0.073 0.000 2.741 399 R HA 0.450 4.790 4.340 -0.000 0.000 0.274 399 R C -3.117 173.250 176.300 0.112 0.000 1.029 399 R CA -1.460 54.369 56.100 -0.451 0.000 0.880 399 R CB -0.031 30.142 30.300 -0.213 0.000 1.264 399 R HN -0.276 nan 8.270 nan 0.000 0.465 400 P HA -0.026 nan 4.420 nan 0.000 0.263 400 P C -1.191 176.298 177.300 0.315 0.000 1.168 400 P CA 0.561 63.783 63.100 0.203 0.000 0.759 400 P CB 0.034 31.753 31.700 0.032 0.000 0.782 401 F N 0.262 120.307 119.950 0.159 0.000 2.662 401 F HA 0.727 5.254 4.527 -0.000 0.000 0.312 401 F C -1.072 174.824 175.800 0.161 0.000 1.113 401 F CA -1.410 56.665 58.000 0.125 0.000 0.951 401 F CB 0.758 39.852 39.000 0.156 0.000 1.344 401 F HN -0.036 nan 8.300 nan 0.000 0.462 402 I N 1.910 122.677 120.570 0.327 0.000 2.498 402 I HA 0.731 4.901 4.170 -0.000 0.000 0.301 402 I C -0.393 175.959 176.117 0.391 0.000 0.984 402 I CA -0.919 60.543 61.300 0.269 0.000 1.204 402 I CB 1.079 39.234 38.000 0.258 0.000 1.362 402 I HN 0.747 nan 8.210 nan 0.000 0.471 403 F N 2.608 122.594 119.950 0.060 0.000 2.662 403 F HA 0.967 5.494 4.527 -0.000 0.000 0.312 403 F C -0.418 175.286 175.800 -0.160 0.000 1.113 403 F CA -0.858 57.103 58.000 -0.064 0.000 0.951 403 F CB 1.285 40.322 39.000 0.061 0.000 1.344 403 F HN 0.749 nan 8.300 nan 0.000 0.462 404 A N 1.889 124.533 122.820 -0.293 0.000 2.594 404 A HA 0.824 5.144 4.320 -0.000 0.000 0.291 404 A C -1.893 175.671 177.584 -0.034 0.000 1.105 404 A CA -0.874 51.017 52.037 -0.243 0.000 0.694 404 A CB 1.608 20.585 19.000 -0.038 0.000 1.291 404 A HN 0.841 nan 8.150 nan 0.000 0.410 405 I N 2.051 122.666 120.570 0.075 0.000 2.410 405 I HA 0.400 4.570 4.170 -0.000 0.000 0.286 405 I C -0.546 175.666 176.117 0.158 0.000 1.009 405 I CA -0.420 60.985 61.300 0.175 0.000 1.111 405 I CB 1.327 39.358 38.000 0.052 0.000 1.262 405 I HN 0.663 nan 8.210 nan 0.000 0.443 406 I N 1.881 122.609 120.570 0.263 0.000 2.525 406 I HA 0.566 4.736 4.170 -0.000 0.000 0.301 406 I C -0.491 175.850 176.117 0.372 0.000 0.992 406 I CA -0.721 60.744 61.300 0.276 0.000 1.162 406 I CB 1.832 39.972 38.000 0.233 0.000 1.332 406 I HN 0.414 nan 8.210 nan 0.000 0.458 407 D N 3.969 124.571 120.400 0.337 0.000 2.317 407 D HA 0.131 4.771 4.640 -0.000 0.000 0.252 407 D C 0.420 176.807 176.300 0.145 0.000 1.174 407 D CA -0.135 54.003 54.000 0.230 0.000 0.866 407 D CB 0.827 41.796 40.800 0.281 0.000 1.127 407 D HN 0.507 nan 8.370 nan 0.000 0.467 408 N N 1.941 120.682 118.700 0.068 0.000 2.396 408 N HA -0.135 4.605 4.740 -0.000 0.000 0.180 408 N C 1.447 177.008 175.510 0.085 0.000 1.028 408 N CA 0.827 53.932 53.050 0.092 0.000 0.893 408 N CB -0.003 38.542 38.487 0.095 0.000 0.967 408 N HN 0.585 nan 8.380 nan 0.000 0.440 409 S N -0.806 114.942 115.700 0.080 0.000 2.453 409 S HA -0.048 4.422 4.470 -0.000 0.000 0.231 409 S C 1.789 176.459 174.600 0.117 0.000 1.005 409 S CA 1.378 59.634 58.200 0.093 0.000 0.949 409 S CB -0.237 63.015 63.200 0.086 0.000 0.774 409 S HN 0.427 nan 8.310 nan 0.000 0.510 410 T N -2.528 112.112 114.554 0.145 0.000 2.964 410 T HA 0.277 4.627 4.350 -0.000 0.000 0.250 410 T C 0.407 175.177 174.700 0.117 0.000 0.982 410 T CA 0.160 62.342 62.100 0.137 0.000 0.959 410 T CB -0.203 68.766 68.868 0.167 0.000 1.141 410 T HN 0.259 nan 8.240 nan 0.000 0.494 411 N N 1.100 119.879 118.700 0.131 0.000 2.829 411 N HA -0.102 4.638 4.740 -0.000 0.000 0.250 411 N C -0.583 175.052 175.510 0.209 0.000 1.090 411 N CA 0.324 53.455 53.050 0.134 0.000 0.781 411 N CB -2.067 36.460 38.487 0.067 0.000 1.124 411 N HN 0.534 nan 8.380 nan 0.000 0.559 412 L N 1.258 122.599 121.223 0.196 0.000 2.397 412 L HA 0.307 4.647 4.340 -0.000 0.000 0.271 412 L C -1.734 175.252 176.870 0.194 0.000 1.148 412 L CA -1.337 53.608 54.840 0.175 0.000 0.825 412 L CB 0.512 42.646 42.059 0.125 0.000 1.117 412 L HN -0.168 nan 8.230 nan 0.000 0.456 413 P HA 0.159 nan 4.420 nan 0.000 0.292 413 P C 0.425 177.706 177.300 -0.032 0.000 1.326 413 P CA -0.448 62.665 63.100 0.021 0.000 0.787 413 P CB 1.008 32.585 31.700 -0.206 0.000 0.903 414 I N 2.293 122.848 120.570 -0.026 0.000 2.353 414 I HA 0.026 4.196 4.170 -0.000 0.000 0.248 414 I C 0.876 176.737 176.117 -0.427 0.000 1.119 414 I CA 1.049 62.239 61.300 -0.183 0.000 1.417 414 I CB -0.916 36.949 38.000 -0.226 0.000 1.078 414 I HN 0.230 nan 8.210 nan 0.000 0.421 415 F N -0.511 119.339 119.950 -0.165 0.000 2.588 415 F HA 0.601 5.128 4.527 -0.000 0.000 0.310 415 F C -0.300 175.270 175.800 -0.383 0.000 1.082 415 F CA -0.821 57.049 58.000 -0.216 0.000 0.929 415 F CB 2.905 41.795 39.000 -0.185 0.000 1.254 415 F HN -0.328 nan 8.300 nan 0.000 0.455 416 I N 1.646 122.022 120.570 -0.323 0.000 2.692 416 I HA 0.833 5.003 4.170 -0.000 0.000 0.293 416 I C -0.960 174.607 176.117 -0.917 0.000 1.200 416 I CA -0.022 60.814 61.300 -0.773 0.000 1.036 416 I CB 1.885 39.304 38.000 -0.968 0.000 1.258 416 I HN 0.657 nan 8.210 nan 0.000 0.421 417 G N 3.125 111.216 108.800 -1.182 0.000 2.687 417 G HA2 0.688 4.648 3.960 -0.000 0.000 0.291 417 G HA3 0.688 4.648 3.960 -0.000 0.000 0.291 417 G C -1.377 173.366 174.900 -0.261 0.000 1.420 417 G CA -0.242 44.426 45.100 -0.719 0.000 0.796 417 G HN 0.637 nan 8.290 nan 0.000 0.485 418 T N -2.592 112.003 114.554 0.069 0.000 2.912 418 T HA 0.650 5.000 4.350 -0.000 0.000 0.299 418 T C -1.188 173.444 174.700 -0.113 0.000 1.052 418 T CA -0.654 61.480 62.100 0.056 0.000 0.996 418 T CB 1.787 70.680 68.868 0.041 0.000 1.070 418 T HN 0.810 nan 8.240 nan 0.000 0.465 419 V N 4.675 124.335 119.914 -0.425 0.000 2.357 419 V HA 0.404 4.524 4.120 -0.000 0.000 0.284 419 V C 0.615 176.514 176.094 -0.324 0.000 1.018 419 V CA -0.679 61.243 62.300 -0.630 0.000 0.841 419 V CB 0.982 32.038 31.823 -1.279 0.000 0.991 419 V HN 0.952 nan 8.190 nan 0.000 0.437 420 L N 2.293 123.410 121.223 -0.176 0.000 2.500 420 L HA 0.379 4.719 4.340 -0.000 0.000 0.219 420 L C 0.854 177.825 176.870 0.169 0.000 1.057 420 L CA 0.629 55.461 54.840 -0.013 0.000 0.854 420 L CB 0.824 42.843 42.059 -0.068 0.000 1.078 420 L HN 0.647 nan 8.230 nan 0.000 0.480 421 S N -0.432 115.316 115.700 0.080 0.000 2.533 421 S HA 0.651 5.120 4.470 -0.000 0.000 0.271 421 S C -1.285 173.288 174.600 -0.046 0.000 1.143 421 S CA -0.456 57.844 58.200 0.166 0.000 0.891 421 S CB 1.609 64.923 63.200 0.190 0.000 1.105 421 S HN -0.104 nan 8.310 nan 0.000 0.468 422 L N 0.000 121.212 121.223 -0.019 0.000 2.949 422 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 422 L CA 0.000 54.766 54.840 -0.123 0.000 0.813 422 L CB 0.000 41.869 42.059 -0.317 0.000 0.961 422 L HN 0.000 nan 8.230 nan 0.000 0.502