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 2qtc_1_A DATA FIRST_RESID 56 DATA SEQUENCE ISNYINTIPV EEQPEYPGNL ELERRIRSAI RWNAIMTVLR ASKKDLELGG DATA SEQUENCE HMASFQSSAT IYDVCFNHFF RARNEQDGGD LVYFQGHISP GVYARAFLEG DATA SEQUENCE RLTQEQLDNF RQEVHGNGLS SYPHPKLMPE FWQFPTVSMG LGPIGAIYQA DATA SEQUENCE KFLKYLEHRG LKDTSKQTVY AFLGDGEMDE PESKGAITIA TREKLDNLVF DATA SEQUENCE VINCNLQRLD GPVTGNGKII NELEGIFEGA GWNVIKVMWG SRWDELLRKD DATA SEQUENCE TSGKLIQLMN ETVDGDYQTF KSKDGAYVRE HFFGKYPETA ALVADWTDEQ DATA SEQUENCE IWALNRGGHD PKKIYAAFKK AQETKGKATV ILAHTIKGYG MGDAAXXXXX DATA SEQUENCE XXXXXXXXMD GVRHIRDRFN VPVSDADIEK LPYITFPEGS EEHTYLHAQR DATA SEQUENCE QKLHGYLPSR QPNFTEKLEL PSLQDFGALL EEQSKEISTT IAFVRALNVM DATA SEQUENCE LKNKSIKDRL VPIIADEART FGMEGLFRQI GIYSPXXXXX XXXXXXXXXX DATA SEQUENCE XXEDEKGQIL QEGINELGAG CSWLAAATSY STNNLPMIPF YIYYSMFGFQ DATA SEQUENCE RIGDLCWAAG DQQARGFLIG GTSGRTTLNG EGLQHEDGHS HIQSLTIPNC DATA SEQUENCE ISYDPAYAYE VAVIMHDGLE RMYGEKQENV YYYITTLNEN YHMPAMPEGA DATA SEQUENCE EEGIRKGIYK LETIEGSKGK VQLLGSGSIL RHVREAAEIL AKDYGVGSDV DATA SEQUENCE YSVTSFTELA RDGQDCERWN MLHPLETPRV PYIAQVMNDA PAVASTDYMK DATA SEQUENCE LFAEQVRTYV PADDYRVLGT DGFGRSDSRE NLRHHFEVDA SYVVVAALGE DATA SEQUENCE LAKRGEIDKK VVADAIAKFN IDADKVNPRL A 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 56 I HA 0.000 nan 4.170 nan 0.000 0.288 56 I C 0.000 176.133 176.117 0.026 0.000 1.063 56 I CA 0.000 61.312 61.300 0.021 0.000 1.566 56 I CB 0.000 38.015 38.000 0.025 0.000 1.214 57 S N 4.529 120.244 115.700 0.026 0.000 2.707 57 S HA 0.523 4.992 4.470 -0.001 0.000 0.276 57 S C 0.121 174.757 174.600 0.060 0.000 1.179 57 S CA -0.843 57.375 58.200 0.030 0.000 0.992 57 S CB 1.132 64.338 63.200 0.011 0.000 1.030 57 S HN 0.527 nan 8.310 nan 0.000 0.554 58 N N 0.206 118.946 118.700 0.067 0.000 2.344 58 N HA -0.007 4.732 4.740 -0.001 0.000 0.236 58 N C -0.720 174.885 175.510 0.159 0.000 1.279 58 N CA 0.251 53.369 53.050 0.114 0.000 0.882 58 N CB -0.202 38.344 38.487 0.100 0.000 1.110 58 N HN 0.720 nan 8.380 nan 0.000 0.436 59 Y N 2.029 122.367 120.300 0.064 0.000 2.971 59 Y HA 0.223 4.772 4.550 -0.001 0.000 0.384 59 Y C 0.327 176.315 175.900 0.146 0.000 1.166 59 Y CA -0.253 57.885 58.100 0.063 0.000 1.973 59 Y CB -0.805 37.738 38.460 0.138 0.000 2.082 59 Y HN 0.305 nan 8.280 nan 0.000 0.420 60 I N -2.570 118.012 120.570 0.019 0.000 3.264 60 I HA 0.523 4.692 4.170 -0.001 0.000 0.315 60 I C -0.636 175.421 176.117 -0.101 0.000 1.154 60 I CA -1.633 59.700 61.300 0.056 0.000 0.962 60 I CB 1.429 39.515 38.000 0.144 0.000 1.265 60 I HN -0.185 nan 8.210 nan 0.000 0.463 61 N N 1.721 120.386 118.700 -0.058 0.000 2.454 61 N HA 0.091 4.830 4.740 -0.001 0.000 0.254 61 N C 0.778 176.249 175.510 -0.064 0.000 1.228 61 N CA 0.085 53.075 53.050 -0.100 0.000 0.900 61 N CB 0.897 39.363 38.487 -0.035 0.000 1.089 61 N HN 0.682 nan 8.380 nan 0.000 0.449 62 T N 1.204 115.702 114.554 -0.092 0.000 2.857 62 T HA 0.063 4.412 4.350 -0.001 0.000 0.266 62 T C 1.041 175.719 174.700 -0.037 0.000 1.048 62 T CA 0.751 62.811 62.100 -0.067 0.000 1.139 62 T CB 0.028 68.842 68.868 -0.090 0.000 0.874 62 T HN 0.419 nan 8.240 nan 0.000 0.455 63 I N 4.256 124.805 120.570 -0.034 0.000 2.281 63 I HA 0.222 4.392 4.170 -0.001 0.000 0.293 63 I C -2.086 174.043 176.117 0.021 0.000 1.085 63 I CA -2.375 58.921 61.300 -0.007 0.000 1.257 63 I CB 0.856 38.852 38.000 -0.007 0.000 1.430 63 I HN 0.042 nan 8.210 nan 0.000 0.489 64 P HA -0.042 nan 4.420 nan 0.000 0.270 64 P C 0.927 178.264 177.300 0.062 0.000 1.223 64 P CA -0.103 63.027 63.100 0.051 0.000 0.785 64 P CB 1.769 33.498 31.700 0.047 0.000 0.923 65 V N 1.431 121.392 119.914 0.078 0.000 2.568 65 V HA -0.243 3.876 4.120 -0.001 0.000 0.253 65 V C 1.998 178.136 176.094 0.073 0.000 1.072 65 V CA 2.148 64.498 62.300 0.084 0.000 1.084 65 V CB -1.163 30.719 31.823 0.098 0.000 0.676 65 V HN 0.469 nan 8.190 nan 0.000 0.469 66 E N 0.319 120.557 120.200 0.063 0.000 2.265 66 E HA -0.142 4.207 4.350 -0.001 0.000 0.196 66 E C 1.825 178.455 176.600 0.050 0.000 0.996 66 E CA 1.278 57.711 56.400 0.054 0.000 0.832 66 E CB -0.079 29.648 29.700 0.046 0.000 0.756 66 E HN 0.774 nan 8.360 nan 0.000 0.491 67 E N -0.163 120.068 120.200 0.051 0.000 2.548 67 E HA 0.055 4.404 4.350 -0.001 0.000 0.206 67 E C -0.063 176.574 176.600 0.061 0.000 1.005 67 E CA -0.187 56.241 56.400 0.047 0.000 0.951 67 E CB 0.474 30.194 29.700 0.033 0.000 1.035 67 E HN 0.132 nan 8.360 nan 0.000 0.470 68 Q N 3.150 122.996 119.800 0.077 0.000 2.307 68 Q HA 0.151 4.490 4.340 -0.001 0.000 0.259 68 Q C -2.112 173.966 176.000 0.131 0.000 0.998 68 Q CA -2.060 53.807 55.803 0.107 0.000 0.923 68 Q CB 0.653 29.458 28.738 0.112 0.000 1.196 68 Q HN -0.052 nan 8.270 nan 0.000 0.416 69 P HA 0.017 nan 4.420 nan 0.000 0.270 69 P C -0.598 176.811 177.300 0.183 0.000 1.223 69 P CA -0.079 63.133 63.100 0.186 0.000 0.785 69 P CB 0.696 32.552 31.700 0.260 0.000 0.923 70 E N 0.682 120.944 120.200 0.103 0.000 2.384 70 E HA -0.002 4.347 4.350 -0.001 0.000 0.266 70 E C -0.442 176.130 176.600 -0.048 0.000 1.012 70 E CA -0.075 56.355 56.400 0.050 0.000 0.901 70 E CB 0.035 29.744 29.700 0.013 0.000 0.967 70 E HN 0.366 nan 8.360 nan 0.000 0.435 71 Y N 5.809 125.993 120.300 -0.194 0.000 2.544 71 Y HA 0.044 4.593 4.550 -0.001 0.000 0.330 71 Y C -1.140 174.496 175.900 -0.439 0.000 1.136 71 Y CA -1.540 56.291 58.100 -0.449 0.000 1.417 71 Y CB 0.809 39.120 38.460 -0.249 0.000 1.229 71 Y HN 0.385 nan 8.280 nan 0.000 0.532 72 P HA 0.087 nan 4.420 nan 0.000 0.236 72 P C 0.382 177.379 177.300 -0.505 0.000 1.177 72 P CA 0.615 63.274 63.100 -0.735 0.000 0.773 72 P CB 0.418 31.653 31.700 -0.775 0.000 0.878 73 G N 0.539 108.923 108.800 -0.694 0.000 2.531 73 G HA2 0.182 4.142 3.960 -0.001 0.000 0.313 73 G HA3 0.182 4.142 3.960 -0.001 0.000 0.313 73 G C -0.613 174.438 174.900 0.251 0.000 1.238 73 G CA -0.449 44.694 45.100 0.071 0.000 0.994 73 G HN 0.030 nan 8.290 nan 0.000 0.493 74 N N 0.649 119.487 118.700 0.230 0.000 2.521 74 N HA 0.117 4.856 4.740 -0.001 0.000 0.236 74 N C 1.615 177.141 175.510 0.026 0.000 1.067 74 N CA -0.285 52.793 53.050 0.047 0.000 0.939 74 N CB 0.711 39.113 38.487 -0.142 0.000 1.201 74 N HN 0.389 nan 8.380 nan 0.000 0.511 75 L N 1.395 122.672 121.223 0.090 0.000 2.013 75 L HA -0.163 4.176 4.340 -0.001 0.000 0.212 75 L C 2.330 179.184 176.870 -0.026 0.000 1.073 75 L CA 1.221 56.074 54.840 0.022 0.000 0.753 75 L CB -0.266 41.767 42.059 -0.044 0.000 0.890 75 L HN 0.535 nan 8.230 nan 0.000 0.432 76 E N 0.471 120.646 120.200 -0.041 0.000 2.110 76 E HA -0.234 4.115 4.350 -0.001 0.000 0.193 76 E C 2.172 178.718 176.600 -0.091 0.000 0.988 76 E CA 1.294 57.666 56.400 -0.048 0.000 0.804 76 E CB -0.051 29.625 29.700 -0.039 0.000 0.745 76 E HN 0.295 nan 8.360 nan 0.000 0.458 77 L N 1.671 122.789 121.223 -0.176 0.000 2.072 77 L HA -0.093 4.246 4.340 -0.001 0.000 0.205 77 L C 2.007 178.708 176.870 -0.282 0.000 1.079 77 L CA 1.787 56.459 54.840 -0.280 0.000 0.752 77 L CB -0.499 41.281 42.059 -0.466 0.000 0.906 77 L HN 0.046 nan 8.230 nan 0.000 0.436 78 E N -0.784 119.254 120.200 -0.270 0.000 2.118 78 E HA -0.245 4.104 4.350 -0.001 0.000 0.195 78 E C 2.211 178.811 176.600 0.001 0.000 0.992 78 E CA 0.775 57.114 56.400 -0.101 0.000 0.804 78 E CB -0.216 29.516 29.700 0.053 0.000 0.741 78 E HN 0.334 nan 8.360 nan 0.000 0.458 79 R N 1.268 121.772 120.500 0.005 0.000 2.115 79 R HA -0.067 4.272 4.340 -0.001 0.000 0.230 79 R C 2.061 178.409 176.300 0.080 0.000 1.111 79 R CA 0.993 57.132 56.100 0.065 0.000 0.976 79 R CB -0.045 30.296 30.300 0.069 0.000 0.870 79 R HN 0.120 nan 8.270 nan 0.000 0.445 80 R N -0.053 120.460 120.500 0.022 0.000 2.081 80 R HA -0.057 4.283 4.340 -0.001 0.000 0.235 80 R C 2.400 178.776 176.300 0.127 0.000 1.131 80 R CA 1.510 57.638 56.100 0.047 0.000 0.960 80 R CB -0.270 29.994 30.300 -0.060 0.000 0.856 80 R HN 0.240 nan 8.270 nan 0.000 0.436 81 I N -0.013 120.580 120.570 0.037 0.000 2.202 81 I HA -0.274 3.896 4.170 -0.001 0.000 0.242 81 I C 2.731 178.994 176.117 0.243 0.000 1.091 81 I CA 1.146 62.544 61.300 0.163 0.000 1.368 81 I CB -0.298 37.733 38.000 0.052 0.000 1.058 81 I HN 0.137 nan 8.210 nan 0.000 0.410 82 R N 0.728 121.328 120.500 0.167 0.000 2.105 82 R HA -0.159 4.180 4.340 -0.001 0.000 0.239 82 R C 2.380 178.774 176.300 0.156 0.000 1.135 82 R CA 1.801 58.000 56.100 0.164 0.000 0.967 82 R CB -0.093 30.290 30.300 0.138 0.000 0.861 82 R HN 0.200 nan 8.270 nan 0.000 0.442 83 S N 0.031 115.832 115.700 0.168 0.000 2.382 83 S HA -0.095 4.374 4.470 -0.001 0.000 0.228 83 S C 1.830 176.557 174.600 0.211 0.000 1.027 83 S CA 1.068 59.363 58.200 0.158 0.000 0.991 83 S CB -0.041 63.290 63.200 0.219 0.000 0.823 83 S HN 0.571 nan 8.310 nan 0.000 0.469 84 A N 1.472 124.453 122.820 0.268 0.000 1.897 84 A HA 0.035 4.355 4.320 -0.001 0.000 0.215 84 A C 2.018 179.758 177.584 0.261 0.000 1.181 84 A CA 0.948 53.133 52.037 0.246 0.000 0.620 84 A CB -0.636 18.471 19.000 0.179 0.000 0.821 84 A HN 0.476 nan 8.150 nan 0.000 0.443 85 I N -0.755 119.960 120.570 0.243 0.000 2.208 85 I HA -0.301 3.868 4.170 -0.001 0.000 0.245 85 I C 2.785 179.053 176.117 0.251 0.000 1.097 85 I CA 1.473 62.903 61.300 0.218 0.000 1.363 85 I CB -0.413 37.720 38.000 0.222 0.000 1.051 85 I HN 0.305 nan 8.210 nan 0.000 0.413 86 R N 0.020 120.669 120.500 0.247 0.000 2.083 86 R HA -0.231 4.108 4.340 -0.001 0.000 0.237 86 R C 2.276 178.691 176.300 0.192 0.000 1.137 86 R CA 2.027 58.246 56.100 0.198 0.000 0.951 86 R CB -0.542 29.684 30.300 -0.123 0.000 0.851 86 R HN 0.571 nan 8.270 nan 0.000 0.434 87 W N 2.159 123.481 121.300 0.038 0.000 2.354 87 W HA -0.212 4.448 4.660 -0.001 0.000 0.315 87 W C 1.262 177.813 176.519 0.054 0.000 1.206 87 W CA 1.416 58.791 57.345 0.048 0.000 1.290 87 W CB -0.328 29.165 29.460 0.054 0.000 1.152 87 W HN 0.121 nan 8.180 nan 0.000 0.489 88 N N 0.898 119.710 118.700 0.187 0.000 2.104 88 N HA -0.170 4.570 4.740 -0.001 0.000 0.190 88 N C 1.874 177.345 175.510 -0.064 0.000 1.024 88 N CA 2.195 55.296 53.050 0.085 0.000 0.853 88 N CB -1.095 37.477 38.487 0.143 0.000 1.008 88 N HN 0.201 nan 8.380 nan 0.000 0.424 89 A N 1.278 124.055 122.820 -0.072 0.000 1.883 89 A HA -0.100 4.220 4.320 -0.001 0.000 0.217 89 A C 2.366 179.844 177.584 -0.177 0.000 1.186 89 A CA 1.086 53.023 52.037 -0.167 0.000 0.624 89 A CB -0.751 18.152 19.000 -0.161 0.000 0.822 89 A HN 0.222 nan 8.150 nan 0.000 0.444 90 I N -0.661 119.821 120.570 -0.147 0.000 2.179 90 I HA -0.282 3.887 4.170 -0.001 0.000 0.242 90 I C 2.623 178.554 176.117 -0.310 0.000 1.088 90 I CA 1.197 62.378 61.300 -0.198 0.000 1.357 90 I CB -0.302 37.578 38.000 -0.200 0.000 1.051 90 I HN 0.269 nan 8.210 nan 0.000 0.409 91 M N -0.063 119.269 119.600 -0.446 0.000 2.108 91 M HA -0.171 4.308 4.480 -0.001 0.000 0.261 91 M C 2.437 178.588 176.300 -0.249 0.000 1.066 91 M CA 1.898 56.921 55.300 -0.461 0.000 1.107 91 M CB -1.671 30.570 32.600 -0.598 0.000 1.356 91 M HN 0.246 nan 8.290 nan 0.000 0.406 92 T N 0.857 115.330 114.554 -0.136 0.000 2.684 92 T HA -0.094 4.255 4.350 -0.001 0.000 0.267 92 T C 2.072 176.610 174.700 -0.270 0.000 1.036 92 T CA 1.518 63.518 62.100 -0.167 0.000 1.148 92 T CB -0.372 68.263 68.868 -0.388 0.000 0.863 92 T HN 0.169 nan 8.240 nan 0.000 0.436 93 V N 1.239 120.965 119.914 -0.313 0.000 2.379 93 V HA -0.042 4.078 4.120 -0.001 0.000 0.245 93 V C 2.480 178.538 176.094 -0.061 0.000 1.044 93 V CA 1.233 63.434 62.300 -0.165 0.000 1.036 93 V CB -0.636 31.119 31.823 -0.113 0.000 0.664 93 V HN 0.417 nan 8.190 nan 0.000 0.453 94 L N -0.523 120.630 121.223 -0.117 0.000 2.046 94 L HA -0.155 4.184 4.340 -0.001 0.000 0.208 94 L C 2.818 179.638 176.870 -0.084 0.000 1.077 94 L CA 1.605 56.384 54.840 -0.101 0.000 0.747 94 L CB -0.532 41.433 42.059 -0.156 0.000 0.896 94 L HN 0.244 nan 8.230 nan 0.000 0.432 95 R N -0.225 120.210 120.500 -0.108 0.000 2.096 95 R HA -0.130 4.210 4.340 -0.001 0.000 0.235 95 R C 2.381 178.673 176.300 -0.012 0.000 1.127 95 R CA 1.256 57.308 56.100 -0.080 0.000 0.968 95 R CB -0.417 29.820 30.300 -0.104 0.000 0.861 95 R HN 0.347 nan 8.270 nan 0.000 0.440 96 A N 0.607 123.454 122.820 0.045 0.000 1.930 96 A HA -0.116 4.203 4.320 -0.001 0.000 0.217 96 A C 2.183 179.796 177.584 0.048 0.000 1.175 96 A CA 1.541 53.637 52.037 0.097 0.000 0.627 96 A CB -0.303 18.860 19.000 0.272 0.000 0.815 96 A HN 0.209 nan 8.150 nan 0.000 0.443 97 S N -0.413 115.306 115.700 0.032 0.000 2.382 97 S HA -0.152 4.317 4.470 -0.001 0.000 0.228 97 S C 1.923 176.521 174.600 -0.003 0.000 1.027 97 S CA 1.574 59.781 58.200 0.012 0.000 0.991 97 S CB -0.225 62.977 63.200 0.003 0.000 0.823 97 S HN 0.680 nan 8.310 nan 0.000 0.469 98 K N 1.515 121.906 120.400 -0.014 0.000 2.211 98 K HA -0.087 4.232 4.320 -0.001 0.000 0.204 98 K C 1.718 178.308 176.600 -0.016 0.000 1.047 98 K CA 1.108 57.383 56.287 -0.021 0.000 0.935 98 K CB -0.026 32.453 32.500 -0.034 0.000 0.728 98 K HN 0.227 nan 8.250 nan 0.000 0.452 99 K N 0.320 120.713 120.400 -0.012 0.000 2.283 99 K HA -0.136 4.183 4.320 -0.001 0.000 0.202 99 K C 0.252 176.845 176.600 -0.012 0.000 1.048 99 K CA 0.972 57.252 56.287 -0.013 0.000 0.948 99 K CB -0.100 32.394 32.500 -0.011 0.000 0.742 99 K HN 0.192 nan 8.250 nan 0.000 0.458 100 D N 0.132 120.527 120.400 -0.009 0.000 2.699 100 D HA -0.169 4.470 4.640 -0.001 0.000 0.239 100 D C -0.539 175.756 176.300 -0.009 0.000 1.136 100 D CA 0.512 54.508 54.000 -0.008 0.000 0.668 100 D CB -1.102 39.693 40.800 -0.009 0.000 1.060 100 D HN 0.218 nan 8.370 nan 0.000 0.429 101 L N 0.375 121.593 121.223 -0.010 0.000 3.066 101 L HA 0.200 4.539 4.340 -0.001 0.000 0.265 101 L C 0.665 177.527 176.870 -0.013 0.000 1.232 101 L CA -0.448 54.385 54.840 -0.012 0.000 1.031 101 L CB 0.313 42.362 42.059 -0.017 0.000 1.379 101 L HN -0.030 nan 8.230 nan 0.000 0.563 102 E N 0.470 120.665 120.200 -0.009 0.000 2.360 102 E HA -0.241 4.108 4.350 -0.001 0.000 0.238 102 E C 1.030 177.620 176.600 -0.017 0.000 1.186 102 E CA 0.496 56.891 56.400 -0.009 0.000 0.719 102 E CB -1.579 28.117 29.700 -0.006 0.000 1.236 102 E HN 0.543 nan 8.360 nan 0.000 0.386 103 L N -1.037 120.173 121.223 -0.021 0.000 2.109 103 L HA -0.031 4.309 4.340 -0.001 0.000 0.207 103 L C 1.610 178.449 176.870 -0.052 0.000 1.086 103 L CA 1.195 56.006 54.840 -0.049 0.000 0.760 103 L CB -0.430 41.599 42.059 -0.050 0.000 0.910 103 L HN 0.540 nan 8.230 nan 0.000 0.437 104 G N -0.727 108.068 108.800 -0.010 0.000 2.681 104 G HA2 0.181 4.140 3.960 -0.001 0.000 0.220 104 G HA3 0.181 4.140 3.960 -0.001 0.000 0.220 104 G C -0.016 174.923 174.900 0.064 0.000 1.353 104 G CA -0.389 44.706 45.100 -0.009 0.000 0.872 104 G HN 0.878 nan 8.290 nan 0.000 0.557 105 G N -2.511 106.299 108.800 0.016 0.000 2.362 105 G HA2 0.602 4.561 3.960 -0.001 0.000 0.656 105 G HA3 0.602 4.561 3.960 -0.001 0.000 0.656 105 G C -1.020 173.844 174.900 -0.060 0.000 1.376 105 G CA 0.439 45.665 45.100 0.209 0.000 0.971 105 G HN 1.870 nan 8.290 nan 0.000 0.636 106 H N -0.811 118.414 119.070 0.258 0.000 2.834 106 H HA 0.838 5.393 4.556 -0.001 0.000 0.369 106 H C 1.119 176.552 175.328 0.176 0.000 1.174 106 H CA -0.774 55.412 56.048 0.229 0.000 1.165 106 H CB 1.990 31.945 29.762 0.321 0.000 1.820 106 H HN 0.489 nan 8.280 nan 0.000 0.558 107 M N -0.401 119.379 119.600 0.301 0.000 2.049 107 M HA 0.233 4.712 4.480 -0.001 0.000 0.223 107 M C 1.942 178.405 176.300 0.272 0.000 1.356 107 M CA 0.682 56.123 55.300 0.236 0.000 1.017 107 M CB 0.399 33.088 32.600 0.148 0.000 1.639 107 M HN 0.622 nan 8.290 nan 0.000 0.583 108 A N 0.271 123.247 122.820 0.261 0.000 1.908 108 A HA -0.177 4.142 4.320 -0.001 0.000 0.218 108 A C 2.177 179.914 177.584 0.255 0.000 1.181 108 A CA 2.547 54.731 52.037 0.245 0.000 0.627 108 A CB -0.904 18.230 19.000 0.223 0.000 0.818 108 A HN 0.457 nan 8.150 nan 0.000 0.445 109 S N -1.557 114.312 115.700 0.283 0.000 2.348 109 S HA -0.169 4.301 4.470 -0.001 0.000 0.221 109 S C 1.790 176.525 174.600 0.226 0.000 1.033 109 S CA 1.668 60.005 58.200 0.229 0.000 1.010 109 S CB -0.524 62.782 63.200 0.177 0.000 0.891 109 S HN 0.604 nan 8.310 nan 0.000 0.442 110 F N 2.323 122.351 119.950 0.130 0.000 2.216 110 F HA -0.013 4.514 4.527 -0.001 0.000 0.300 110 F C 2.497 178.402 175.800 0.174 0.000 1.085 110 F CA 1.574 59.656 58.000 0.136 0.000 1.326 110 F CB -0.524 38.526 39.000 0.082 0.000 1.027 110 F HN 0.229 nan 8.300 nan 0.000 0.497 111 Q N 0.050 119.914 119.800 0.107 0.000 2.170 111 Q HA -0.170 4.169 4.340 -0.001 0.000 0.203 111 Q C 2.564 178.658 176.000 0.156 0.000 0.976 111 Q CA 1.746 57.599 55.803 0.084 0.000 0.858 111 Q CB -0.649 28.228 28.738 0.232 0.000 0.907 111 Q HN 0.582 nan 8.270 nan 0.000 0.433 112 S N -0.610 115.185 115.700 0.157 0.000 2.470 112 S HA -0.028 4.441 4.470 -0.001 0.000 0.225 112 S C 1.793 176.364 174.600 -0.049 0.000 1.006 112 S CA 0.959 59.255 58.200 0.159 0.000 0.934 112 S CB 0.038 63.331 63.200 0.155 0.000 0.778 112 S HN 0.293 nan 8.310 nan 0.000 0.517 113 S N 0.202 115.866 115.700 -0.060 0.000 2.559 113 S HA 0.606 5.075 4.470 -0.001 0.000 0.226 113 S C 1.784 176.343 174.600 -0.067 0.000 1.000 113 S CA 0.145 58.307 58.200 -0.063 0.000 0.948 113 S CB 0.077 63.336 63.200 0.098 0.000 0.870 113 S HN 0.623 nan 8.310 nan 0.000 0.497 114 A N 2.609 125.230 122.820 -0.331 0.000 1.903 114 A HA -0.125 4.194 4.320 -0.001 0.000 0.219 114 A C 2.286 179.843 177.584 -0.044 0.000 1.191 114 A CA 2.464 54.223 52.037 -0.464 0.000 0.638 114 A CB -1.762 16.788 19.000 -0.750 0.000 0.823 114 A HN 0.546 nan 8.150 nan 0.000 0.451 115 T N 0.059 114.585 114.554 -0.048 0.000 2.915 115 T HA -0.017 4.333 4.350 -0.001 0.000 0.269 115 T C 1.740 176.459 174.700 0.032 0.000 1.071 115 T CA 1.305 63.419 62.100 0.024 0.000 1.132 115 T CB -0.379 68.493 68.868 0.007 0.000 0.878 115 T HN 0.460 nan 8.240 nan 0.000 0.479 116 I N -0.169 120.385 120.570 -0.025 0.000 2.163 116 I HA -0.158 4.012 4.170 -0.001 0.000 0.240 116 I C 2.132 178.204 176.117 -0.076 0.000 1.081 116 I CA 1.490 62.769 61.300 -0.036 0.000 1.353 116 I CB -0.420 37.543 38.000 -0.062 0.000 1.054 116 I HN 0.181 nan 8.210 nan 0.000 0.407 117 Y N 0.793 121.132 120.300 0.066 0.000 2.181 117 Y HA -0.292 4.257 4.550 -0.001 0.000 0.288 117 Y C 2.332 178.306 175.900 0.123 0.000 1.146 117 Y CA 1.788 59.921 58.100 0.056 0.000 1.164 117 Y CB -0.692 37.949 38.460 0.301 0.000 0.982 117 Y HN 0.208 nan 8.280 nan 0.000 0.515 118 D N -0.447 120.154 120.400 0.336 0.000 2.123 118 D HA -0.164 4.475 4.640 -0.001 0.000 0.196 118 D C 2.163 178.585 176.300 0.204 0.000 0.992 118 D CA 1.221 55.401 54.000 0.301 0.000 0.833 118 D CB -0.128 40.809 40.800 0.228 0.000 0.954 118 D HN 0.094 nan 8.370 nan 0.000 0.455 119 V N -0.367 119.633 119.914 0.144 0.000 2.427 119 V HA -0.267 3.853 4.120 -0.001 0.000 0.248 119 V C 2.618 178.742 176.094 0.050 0.000 1.051 119 V CA 1.404 63.846 62.300 0.236 0.000 1.048 119 V CB -0.337 31.655 31.823 0.282 0.000 0.666 119 V HN 0.453 nan 8.190 nan 0.000 0.456 120 C N -0.779 118.277 119.300 -0.406 0.000 2.446 120 C HA -0.104 4.356 4.460 -0.001 0.000 0.277 120 C C 2.476 176.980 174.990 -0.810 0.000 1.275 120 C CA 0.577 59.007 59.018 -0.980 0.000 1.727 120 C CB -1.214 25.206 27.740 -2.199 0.000 2.010 120 C HN 0.533 nan 8.230 nan 0.000 0.486 121 F N 1.613 121.335 119.950 -0.380 0.000 2.293 121 F HA -0.054 4.473 4.527 -0.001 0.000 0.300 121 F C 2.308 178.029 175.800 -0.131 0.000 1.086 121 F CA 1.229 59.186 58.000 -0.072 0.000 1.375 121 F CB -0.472 38.582 39.000 0.090 0.000 1.045 121 F HN 0.300 nan 8.300 nan 0.000 0.516 122 N N -1.524 117.150 118.700 -0.044 0.000 2.395 122 N HA -0.055 4.684 4.740 -0.001 0.000 0.175 122 N C 1.136 176.205 175.510 -0.736 0.000 1.029 122 N CA 1.010 53.834 53.050 -0.378 0.000 0.897 122 N CB -0.079 38.142 38.487 -0.445 0.000 0.991 122 N HN 0.362 nan 8.380 nan 0.000 0.441 123 H N -2.576 116.437 119.070 -0.095 0.000 3.398 123 H HA 0.247 4.803 4.556 -0.001 0.000 0.260 123 H C 0.409 175.369 175.328 -0.614 0.000 1.189 123 H CA -0.029 55.827 56.048 -0.320 0.000 1.145 123 H CB 0.588 30.155 29.762 -0.324 0.000 1.599 123 H HN 0.107 nan 8.280 nan 0.000 0.615 124 F N -0.598 119.294 119.950 -0.097 0.000 2.334 124 F HA 0.175 4.701 4.527 -0.001 0.000 0.269 124 F C 0.353 176.196 175.800 0.072 0.000 0.879 124 F CA -0.440 57.530 58.000 -0.050 0.000 1.102 124 F CB 0.077 38.989 39.000 -0.147 0.000 1.032 124 F HN -0.188 nan 8.300 nan 0.000 0.782 125 F N 4.010 124.000 119.950 0.067 0.000 2.506 125 F HA 0.074 4.601 4.527 -0.001 0.000 0.387 125 F C 0.772 176.588 175.800 0.027 0.000 1.053 125 F CA -0.309 57.691 58.000 -0.000 0.000 1.083 125 F CB -0.725 38.150 39.000 -0.209 0.000 1.010 125 F HN -0.202 nan 8.300 nan 0.000 0.551 126 R N 2.388 123.049 120.500 0.269 0.000 2.265 126 R HA 0.600 4.939 4.340 -0.001 0.000 0.314 126 R C 0.240 176.635 176.300 0.158 0.000 1.053 126 R CA -0.546 55.645 56.100 0.152 0.000 0.931 126 R CB 0.933 31.340 30.300 0.177 0.000 1.024 126 R HN 0.685 nan 8.270 nan 0.000 0.457 127 A N 2.961 125.864 122.820 0.137 0.000 2.259 127 A HA 0.268 4.587 4.320 -0.001 0.000 0.278 127 A C 0.091 177.755 177.584 0.133 0.000 1.107 127 A CA -0.555 51.554 52.037 0.120 0.000 0.828 127 A CB 0.390 19.438 19.000 0.079 0.000 1.111 127 A HN 0.801 nan 8.150 nan 0.000 0.498 128 R N 0.169 120.724 120.500 0.091 0.000 2.623 128 R HA 0.168 4.507 4.340 -0.001 0.000 0.271 128 R C -0.168 176.167 176.300 0.059 0.000 1.043 128 R CA 0.945 57.088 56.100 0.070 0.000 1.083 128 R CB -0.034 30.293 30.300 0.046 0.000 0.974 128 R HN 0.991 nan 8.270 nan 0.000 0.436 129 N N 0.107 118.821 118.700 0.024 0.000 3.278 129 N HA 0.072 4.812 4.740 -0.001 0.000 0.307 129 N C -0.374 175.111 175.510 -0.041 0.000 1.551 129 N CA -0.755 52.269 53.050 -0.044 0.000 0.794 129 N CB 0.640 39.012 38.487 -0.191 0.000 1.770 129 N HN 0.577 nan 8.380 nan 0.000 0.612 130 E N -1.075 119.082 120.200 -0.071 0.000 2.208 130 E HA -0.149 4.200 4.350 -0.001 0.000 0.193 130 E C 1.035 177.616 176.600 -0.032 0.000 0.988 130 E CA 0.989 57.366 56.400 -0.040 0.000 0.828 130 E CB -0.135 29.539 29.700 -0.043 0.000 0.763 130 E HN 0.448 nan 8.360 nan 0.000 0.478 131 Q N 0.967 120.736 119.800 -0.051 0.000 2.061 131 Q HA 0.035 4.375 4.340 -0.001 0.000 0.195 131 Q C -0.034 175.963 176.000 -0.005 0.000 0.967 131 Q CA 1.772 57.557 55.803 -0.029 0.000 0.829 131 Q CB 0.323 29.037 28.738 -0.039 0.000 0.900 131 Q HN 0.558 nan 8.270 nan 0.000 0.450 132 D N -3.910 116.493 120.400 0.004 0.000 2.744 132 D HA 0.390 5.030 4.640 -0.001 0.000 0.304 132 D C 0.394 176.722 176.300 0.046 0.000 1.179 132 D CA -0.484 53.533 54.000 0.029 0.000 1.024 132 D CB 0.175 40.997 40.800 0.037 0.000 1.453 132 D HN -0.027 nan 8.370 nan 0.000 0.529 133 G N -1.552 107.286 108.800 0.064 0.000 3.026 133 G HA2 0.474 4.433 3.960 -0.001 0.000 0.208 133 G HA3 0.474 4.433 3.960 -0.001 0.000 0.208 133 G C 0.921 175.877 174.900 0.092 0.000 1.169 133 G CA 0.270 45.414 45.100 0.073 0.000 0.788 133 G HN 1.049 nan 8.290 nan 0.000 0.533 134 G N 0.036 108.899 108.800 0.105 0.000 2.725 134 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.220 134 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.220 134 G C -0.822 174.161 174.900 0.138 0.000 1.357 134 G CA -0.390 44.790 45.100 0.133 0.000 0.866 134 G HN 0.221 nan 8.290 nan 0.000 0.548 135 D N 0.133 120.627 120.400 0.157 0.000 2.372 135 D HA 0.433 5.073 4.640 -0.001 0.000 0.243 135 D C 0.724 177.111 176.300 0.146 0.000 1.121 135 D CA 0.198 54.304 54.000 0.178 0.000 0.898 135 D CB 0.869 41.857 40.800 0.313 0.000 1.202 135 D HN 0.457 nan 8.370 nan 0.000 0.428 136 L N 2.058 123.385 121.223 0.173 0.000 2.272 136 L HA 0.277 4.616 4.340 -0.001 0.000 0.284 136 L C -0.447 176.535 176.870 0.187 0.000 1.045 136 L CA -0.817 54.163 54.840 0.233 0.000 0.842 136 L CB 1.028 43.204 42.059 0.194 0.000 1.224 136 L HN -0.048 nan 8.230 nan 0.000 0.430 137 V N 3.391 123.358 119.914 0.088 0.000 2.364 137 V HA 0.173 4.292 4.120 -0.001 0.000 0.272 137 V C -0.475 175.612 176.094 -0.012 0.000 1.036 137 V CA -0.419 61.795 62.300 -0.143 0.000 0.880 137 V CB 0.858 32.066 31.823 -1.025 0.000 0.991 137 V HN 0.398 nan 8.190 nan 0.000 0.460 138 Y N 4.909 125.225 120.300 0.028 0.000 2.802 138 Y HA 0.432 4.981 4.550 -0.001 0.000 0.330 138 Y C 0.310 176.338 175.900 0.213 0.000 1.193 138 Y CA -1.116 57.075 58.100 0.153 0.000 1.427 138 Y CB -0.254 38.232 38.460 0.043 0.000 1.357 138 Y HN 0.508 nan 8.280 nan 0.000 0.501 139 F N 1.148 121.292 119.950 0.324 0.000 2.608 139 F HA -0.029 4.497 4.527 -0.001 0.000 0.380 139 F C 1.119 177.035 175.800 0.193 0.000 1.083 139 F CA 0.017 58.149 58.000 0.219 0.000 1.266 139 F CB 0.399 39.477 39.000 0.129 0.000 1.076 139 F HN 0.354 nan 8.300 nan 0.000 0.574 140 Q N 2.689 122.747 119.800 0.430 0.000 2.263 140 Q HA 0.025 4.364 4.340 -0.001 0.000 0.289 140 Q C 1.385 177.450 176.000 0.107 0.000 1.061 140 Q CA 0.361 56.310 55.803 0.244 0.000 0.927 140 Q CB 0.979 29.843 28.738 0.210 0.000 1.154 140 Q HN 0.977 nan 8.270 nan 0.000 0.378 141 G N 3.632 112.468 108.800 0.061 0.000 2.476 141 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.218 141 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.218 141 G C 0.925 175.876 174.900 0.084 0.000 1.164 141 G CA 1.072 46.146 45.100 -0.042 0.000 0.768 141 G HN 0.963 nan 8.290 nan 0.000 0.560 142 H N 0.630 119.656 119.070 -0.074 0.000 2.553 142 H HA 0.115 4.671 4.556 -0.001 0.000 0.269 142 H C 1.707 177.098 175.328 0.104 0.000 1.011 142 H CA 0.598 56.665 56.048 0.031 0.000 1.150 142 H CB -0.447 29.070 29.762 -0.408 0.000 1.339 142 H HN 0.545 nan 8.280 nan 0.000 0.604 143 I N -0.645 119.900 120.570 -0.040 0.000 3.861 143 I HA 0.159 4.329 4.170 -0.001 0.000 0.329 143 I C 1.906 177.930 176.117 -0.156 0.000 1.321 143 I CA -0.024 61.282 61.300 0.009 0.000 1.126 143 I CB -0.049 38.058 38.000 0.178 0.000 1.018 143 I HN 0.079 nan 8.210 nan 0.000 0.407 144 S N 1.414 117.054 115.700 -0.100 0.000 2.392 144 S HA -0.071 4.398 4.470 -0.001 0.000 0.232 144 S C -0.320 174.020 174.600 -0.434 0.000 1.041 144 S CA 1.257 59.309 58.200 -0.246 0.000 1.026 144 S CB -2.154 60.931 63.200 -0.192 0.000 0.845 144 S HN 0.365 nan 8.310 nan 0.000 0.465 145 P HA 0.024 nan 4.420 nan 0.000 0.218 145 P C 1.816 178.801 177.300 -0.524 0.000 1.148 145 P CA 1.627 64.534 63.100 -0.322 0.000 0.822 145 P CB -0.694 30.816 31.700 -0.317 0.000 0.784 146 G N -0.630 107.572 108.800 -0.998 0.000 2.403 146 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.216 146 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.216 146 G C 1.576 176.013 174.900 -0.772 0.000 1.154 146 G CA 0.455 44.569 45.100 -1.643 0.000 0.784 146 G HN 0.142 nan 8.290 nan 0.000 0.538 147 V N 0.177 119.731 119.914 -0.599 0.000 2.307 147 V HA -0.172 3.947 4.120 -0.001 0.000 0.245 147 V C 2.455 178.429 176.094 -0.200 0.000 1.045 147 V CA 1.307 63.359 62.300 -0.414 0.000 1.024 147 V CB -0.734 30.813 31.823 -0.460 0.000 0.651 147 V HN 0.367 nan 8.190 nan 0.000 0.449 148 Y N 0.839 121.037 120.300 -0.169 0.000 2.224 148 Y HA -0.153 4.396 4.550 -0.001 0.000 0.289 148 Y C 2.546 178.345 175.900 -0.168 0.000 1.146 148 Y CA 0.756 58.754 58.100 -0.171 0.000 1.182 148 Y CB -1.407 36.944 38.460 -0.183 0.000 0.983 148 Y HN 0.204 nan 8.280 nan 0.000 0.524 149 A N 0.277 123.063 122.820 -0.057 0.000 1.858 149 A HA -0.232 4.087 4.320 -0.001 0.000 0.216 149 A C 2.433 180.034 177.584 0.028 0.000 1.190 149 A CA 1.922 53.935 52.037 -0.040 0.000 0.617 149 A CB -0.785 18.159 19.000 -0.095 0.000 0.827 149 A HN 0.418 nan 8.150 nan 0.000 0.443 150 R N -0.270 120.185 120.500 -0.075 0.000 2.083 150 R HA -0.110 4.230 4.340 -0.001 0.000 0.237 150 R C 2.232 178.474 176.300 -0.096 0.000 1.137 150 R CA 1.671 57.698 56.100 -0.122 0.000 0.951 150 R CB -0.487 29.611 30.300 -0.336 0.000 0.851 150 R HN 0.402 nan 8.270 nan 0.000 0.434 151 A N 0.413 123.203 122.820 -0.050 0.000 1.933 151 A HA -0.181 4.138 4.320 -0.001 0.000 0.218 151 A C 1.979 179.560 177.584 -0.004 0.000 1.175 151 A CA 1.313 53.353 52.037 0.006 0.000 0.628 151 A CB -0.786 18.325 19.000 0.185 0.000 0.814 151 A HN 0.588 nan 8.150 nan 0.000 0.444 152 F N 0.057 119.934 119.950 -0.121 0.000 2.113 152 F HA -0.106 4.420 4.527 -0.001 0.000 0.297 152 F C 1.752 177.491 175.800 -0.101 0.000 1.103 152 F CA 1.638 59.547 58.000 -0.151 0.000 1.248 152 F CB -0.452 38.412 39.000 -0.227 0.000 0.999 152 F HN 0.160 nan 8.300 nan 0.000 0.475 153 L N 0.945 122.063 121.223 -0.175 0.000 2.127 153 L HA -0.182 4.158 4.340 -0.001 0.000 0.211 153 L C 1.927 178.684 176.870 -0.188 0.000 1.089 153 L CA 1.842 56.554 54.840 -0.214 0.000 0.757 153 L CB -0.865 41.195 42.059 0.002 0.000 0.899 153 L HN 0.253 nan 8.230 nan 0.000 0.434 154 E N -0.993 119.101 120.200 -0.176 0.000 2.502 154 E HA 0.156 4.505 4.350 -0.001 0.000 0.194 154 E C 1.228 177.755 176.600 -0.122 0.000 1.062 154 E CA 0.496 56.804 56.400 -0.153 0.000 0.867 154 E CB -0.149 29.429 29.700 -0.203 0.000 0.888 154 E HN 0.522 nan 8.360 nan 0.000 0.510 155 G N 1.942 110.612 108.800 -0.217 0.000 2.160 155 G HA2 -0.353 3.606 3.960 -0.001 0.000 0.251 155 G HA3 -0.353 3.606 3.960 -0.001 0.000 0.251 155 G C 0.840 175.629 174.900 -0.185 0.000 1.008 155 G CA 0.407 45.373 45.100 -0.223 0.000 0.724 155 G HN 0.275 nan 8.290 nan 0.000 0.514 156 R N -1.205 119.195 120.500 -0.166 0.000 2.254 156 R HA 0.375 4.714 4.340 -0.001 0.000 0.195 156 R C 0.888 177.151 176.300 -0.062 0.000 0.957 156 R CA 0.473 56.507 56.100 -0.110 0.000 1.024 156 R CB 0.336 30.591 30.300 -0.074 0.000 0.952 156 R HN 0.439 nan 8.270 nan 0.000 0.484 157 L N 0.328 121.519 121.223 -0.053 0.000 2.370 157 L HA 0.328 4.667 4.340 -0.001 0.000 0.266 157 L C 0.240 177.148 176.870 0.062 0.000 1.002 157 L CA -0.889 53.920 54.840 -0.051 0.000 0.818 157 L CB 2.267 44.261 42.059 -0.109 0.000 1.325 157 L HN -0.009 nan 8.230 nan 0.000 0.418 158 T N -2.717 111.852 114.554 0.024 0.000 2.881 158 T HA 0.160 4.510 4.350 -0.001 0.000 0.278 158 T C 0.576 175.316 174.700 0.067 0.000 0.982 158 T CA -0.433 61.720 62.100 0.088 0.000 0.989 158 T CB 1.635 70.508 68.868 0.009 0.000 1.058 158 T HN 0.720 nan 8.240 nan 0.000 0.529 159 Q N -0.011 119.852 119.800 0.105 0.000 2.167 159 Q HA -0.162 4.178 4.340 -0.001 0.000 0.202 159 Q C 2.107 178.034 176.000 -0.123 0.000 0.970 159 Q CA 1.886 57.609 55.803 -0.134 0.000 0.855 159 Q CB -0.164 28.610 28.738 0.059 0.000 0.911 159 Q HN 0.942 nan 8.270 nan 0.000 0.438 160 E N -0.268 119.904 120.200 -0.046 0.000 2.204 160 E HA -0.236 4.113 4.350 -0.001 0.000 0.194 160 E C 1.842 178.390 176.600 -0.086 0.000 0.989 160 E CA 1.057 57.430 56.400 -0.045 0.000 0.824 160 E CB -0.066 29.618 29.700 -0.026 0.000 0.756 160 E HN 0.455 nan 8.360 nan 0.000 0.477 161 Q N 0.541 120.264 119.800 -0.128 0.000 2.046 161 Q HA -0.051 4.288 4.340 -0.001 0.000 0.200 161 Q C 2.437 178.302 176.000 -0.225 0.000 0.975 161 Q CA 1.406 57.101 55.803 -0.179 0.000 0.836 161 Q CB -0.038 28.570 28.738 -0.217 0.000 0.896 161 Q HN 0.383 nan 8.270 nan 0.000 0.428 162 L N 0.798 121.830 121.223 -0.319 0.000 2.079 162 L HA -0.215 4.124 4.340 -0.001 0.000 0.210 162 L C 1.556 178.357 176.870 -0.114 0.000 1.081 162 L CA 0.886 55.506 54.840 -0.368 0.000 0.752 162 L CB -0.379 41.158 42.059 -0.870 0.000 0.896 162 L HN 0.201 nan 8.230 nan 0.000 0.433 163 D N -0.201 120.166 120.400 -0.055 0.000 2.350 163 D HA -0.096 4.543 4.640 -0.001 0.000 0.216 163 D C 1.128 177.439 176.300 0.017 0.000 0.968 163 D CA 0.741 54.765 54.000 0.040 0.000 0.894 163 D CB -0.089 40.737 40.800 0.044 0.000 0.909 163 D HN 0.258 nan 8.370 nan 0.000 0.520 164 N N 0.171 118.860 118.700 -0.019 0.000 2.273 164 N HA -0.003 4.736 4.740 -0.001 0.000 0.231 164 N C -0.209 175.291 175.510 -0.017 0.000 1.134 164 N CA -0.350 52.684 53.050 -0.028 0.000 0.856 164 N CB 0.006 38.458 38.487 -0.058 0.000 1.068 164 N HN 0.087 nan 8.380 nan 0.000 0.510 165 F N 2.618 122.487 119.950 -0.134 0.000 2.590 165 F HA -0.025 4.501 4.527 -0.001 0.000 0.389 165 F C 1.199 176.957 175.800 -0.070 0.000 1.049 165 F CA 0.365 58.290 58.000 -0.125 0.000 1.199 165 F CB 0.218 39.168 39.000 -0.084 0.000 1.058 165 F HN 0.155 nan 8.300 nan 0.000 0.556 166 R N 2.702 122.822 120.500 -0.633 0.000 3.878 166 R HA -0.218 4.121 4.340 -0.001 0.000 0.330 166 R C -0.677 175.479 176.300 -0.240 0.000 1.186 166 R CA 1.034 56.808 56.100 -0.542 0.000 0.885 166 R CB -1.827 28.034 30.300 -0.732 0.000 1.377 166 R HN 0.795 nan 8.270 nan 0.000 0.523 167 Q N 0.107 119.817 119.800 -0.150 0.000 2.616 167 Q HA 0.143 4.483 4.340 -0.001 0.000 0.250 167 Q C -0.142 175.834 176.000 -0.040 0.000 0.991 167 Q CA -0.243 55.518 55.803 -0.069 0.000 0.707 167 Q CB 1.249 29.959 28.738 -0.047 0.000 1.247 167 Q HN 0.305 nan 8.270 nan 0.000 0.491 168 E N 0.271 120.452 120.200 -0.031 0.000 2.473 168 E HA 0.003 4.352 4.350 -0.001 0.000 0.204 168 E C 1.436 178.040 176.600 0.006 0.000 0.994 168 E CA 0.123 56.513 56.400 -0.016 0.000 0.945 168 E CB 0.655 30.342 29.700 -0.022 0.000 0.990 168 E HN 0.194 nan 8.360 nan 0.000 0.493 169 V N 1.330 121.255 119.914 0.019 0.000 2.380 169 V HA -0.271 3.849 4.120 -0.001 0.000 0.251 169 V C 1.438 177.473 176.094 -0.099 0.000 1.063 169 V CA 2.041 64.320 62.300 -0.036 0.000 1.055 169 V CB -0.568 31.226 31.823 -0.049 0.000 0.657 169 V HN 0.346 nan 8.190 nan 0.000 0.455 170 H N -0.475 118.577 119.070 -0.030 0.000 2.543 170 H HA 0.352 4.908 4.556 -0.001 0.000 0.269 170 H C 1.699 177.010 175.328 -0.029 0.000 1.005 170 H CA 0.716 56.748 56.048 -0.027 0.000 1.146 170 H CB 0.073 29.818 29.762 -0.028 0.000 1.353 170 H HN 0.485 nan 8.280 nan 0.000 0.595 171 G N 0.513 109.339 108.800 0.043 0.000 2.213 171 G HA2 -0.321 3.639 3.960 -0.001 0.000 0.236 171 G HA3 -0.321 3.639 3.960 -0.001 0.000 0.236 171 G C 0.641 175.537 174.900 -0.007 0.000 0.991 171 G CA 0.182 45.288 45.100 0.010 0.000 0.629 171 G HN 0.526 nan 8.290 nan 0.000 0.517 172 N N 0.545 119.240 118.700 -0.009 0.000 2.598 172 N HA 0.459 5.199 4.740 -0.001 0.000 0.309 172 N C 0.723 176.189 175.510 -0.073 0.000 1.645 172 N CA 0.491 53.515 53.050 -0.043 0.000 0.936 172 N CB 0.175 38.640 38.487 -0.037 0.000 1.323 172 N HN 0.524 nan 8.380 nan 0.000 0.497 173 G N 0.155 108.909 108.800 -0.077 0.000 3.016 173 G HA2 0.682 4.642 3.960 -0.001 0.000 0.270 173 G HA3 0.682 4.642 3.960 -0.001 0.000 0.270 173 G C -1.022 173.777 174.900 -0.168 0.000 1.352 173 G CA -0.443 44.592 45.100 -0.109 0.000 1.060 173 G HN 0.131 nan 8.290 nan 0.000 0.538 174 L N 0.335 121.440 121.223 -0.196 0.000 2.386 174 L HA 0.408 4.747 4.340 -0.001 0.000 0.271 174 L C 0.198 177.018 176.870 -0.083 0.000 0.993 174 L CA -0.742 53.941 54.840 -0.260 0.000 0.819 174 L CB 2.286 43.947 42.059 -0.664 0.000 1.294 174 L HN 0.404 nan 8.230 nan 0.000 0.414 175 S N 0.192 115.961 115.700 0.115 0.000 2.573 175 S HA 0.008 4.477 4.470 -0.001 0.000 0.277 175 S C 1.290 175.931 174.600 0.070 0.000 1.346 175 S CA -0.050 58.233 58.200 0.138 0.000 1.034 175 S CB 1.359 64.744 63.200 0.307 0.000 0.879 175 S HN 0.854 nan 8.310 nan 0.000 0.528 176 S N 1.245 116.824 115.700 -0.202 0.000 2.370 176 S HA -0.108 4.361 4.470 -0.001 0.000 0.226 176 S C 0.134 174.385 174.600 -0.581 0.000 1.033 176 S CA 1.164 59.016 58.200 -0.579 0.000 1.011 176 S CB -0.498 62.139 63.200 -0.937 0.000 0.852 176 S HN 0.687 nan 8.310 nan 0.000 0.457 177 Y N 0.253 120.512 120.300 -0.068 0.000 2.705 177 Y HA 0.576 5.125 4.550 -0.001 0.000 0.332 177 Y C -3.026 172.229 175.900 -1.075 0.000 1.157 177 Y CA -3.199 54.614 58.100 -0.478 0.000 1.091 177 Y CB -0.100 38.110 38.460 -0.416 0.000 1.301 177 Y HN -0.203 nan 8.280 nan 0.000 0.488 178 P HA 0.101 nan 4.420 nan 0.000 0.263 178 P C -1.098 175.716 177.300 -0.810 0.000 1.276 178 P CA 0.720 62.793 63.100 -1.712 0.000 0.986 178 P CB -0.196 30.854 31.700 -1.082 0.000 1.105 179 H N 4.293 123.250 119.070 -0.188 0.000 2.866 179 H HA 0.199 4.754 4.556 -0.001 0.000 0.287 179 H C -1.914 173.536 175.328 0.202 0.000 1.106 179 H CA -2.088 54.001 56.048 0.068 0.000 1.396 179 H CB 1.329 31.141 29.762 0.083 0.000 1.469 179 H HN 0.210 nan 8.280 nan 0.000 0.500 180 P HA -0.193 nan 4.420 nan 0.000 0.216 180 P C 1.798 179.201 177.300 0.173 0.000 1.150 180 P CA 1.306 64.538 63.100 0.220 0.000 0.837 180 P CB 0.639 32.407 31.700 0.114 0.000 0.786 181 K N -0.385 120.099 120.400 0.140 0.000 2.152 181 K HA -0.127 4.192 4.320 -0.001 0.000 0.206 181 K C 1.575 178.228 176.600 0.089 0.000 1.048 181 K CA 1.524 57.860 56.287 0.081 0.000 0.933 181 K CB -0.963 31.547 32.500 0.017 0.000 0.721 181 K HN 0.003 nan 8.250 nan 0.000 0.447 182 L N -0.526 120.782 121.223 0.142 0.000 2.249 182 L HA 0.231 4.570 4.340 -0.001 0.000 0.207 182 L C 0.797 177.758 176.870 0.150 0.000 1.090 182 L CA 1.026 55.946 54.840 0.133 0.000 0.802 182 L CB -0.031 42.125 42.059 0.162 0.000 0.947 182 L HN 0.093 nan 8.230 nan 0.000 0.453 183 M N 0.748 120.485 119.600 0.227 0.000 2.389 183 M HA 0.239 4.718 4.480 -0.001 0.000 0.206 183 M C -1.749 174.674 176.300 0.204 0.000 0.976 183 M CA -1.044 54.380 55.300 0.206 0.000 0.648 183 M CB 1.724 34.498 32.600 0.290 0.000 1.474 183 M HN -0.187 nan 8.290 nan 0.000 0.398 184 P HA -0.147 nan 4.420 nan 0.000 0.223 184 P C 0.274 177.623 177.300 0.082 0.000 1.144 184 P CA 1.407 64.570 63.100 0.105 0.000 0.783 184 P CB 0.247 31.994 31.700 0.078 0.000 0.771 185 E N -3.028 117.226 120.200 0.090 0.000 2.498 185 E HA 0.135 4.484 4.350 -0.001 0.000 0.203 185 E C 0.926 177.576 176.600 0.084 0.000 1.013 185 E CA -0.203 56.237 56.400 0.067 0.000 0.927 185 E CB 0.071 29.805 29.700 0.057 0.000 1.012 185 E HN 0.228 nan 8.360 nan 0.000 0.482 186 F N -0.756 119.138 119.950 -0.093 0.000 2.495 186 F HA 0.261 4.788 4.527 -0.001 0.000 0.271 186 F C -0.232 175.419 175.800 -0.247 0.000 0.889 186 F CA -0.277 57.584 58.000 -0.232 0.000 1.129 186 F CB 0.349 39.130 39.000 -0.366 0.000 1.169 186 F HN -0.143 nan 8.300 nan 0.000 0.781 187 W N 2.161 123.593 121.300 0.221 0.000 2.184 187 W HA 0.326 4.985 4.660 -0.001 0.000 0.338 187 W C 1.028 177.465 176.519 -0.136 0.000 1.257 187 W CA -0.140 57.233 57.345 0.047 0.000 1.243 187 W CB 0.764 30.309 29.460 0.141 0.000 1.122 187 W HN 0.155 nan 8.180 nan 0.000 0.585 188 Q N 0.533 120.345 119.800 0.020 0.000 2.534 188 Q HA 0.158 4.497 4.340 -0.001 0.000 0.252 188 Q C -0.606 174.910 176.000 -0.807 0.000 0.850 188 Q CA 0.283 55.744 55.803 -0.570 0.000 0.974 188 Q CB 0.660 28.748 28.738 -1.082 0.000 1.205 188 Q HN 0.293 nan 8.270 nan 0.000 0.593 189 F N 1.804 121.749 119.950 -0.008 0.000 2.460 189 F HA 0.401 4.927 4.527 -0.001 0.000 0.341 189 F C -2.408 173.382 175.800 -0.016 0.000 1.130 189 F CA -3.177 54.750 58.000 -0.123 0.000 0.962 189 F CB 1.202 39.838 39.000 -0.606 0.000 1.171 189 F HN -0.193 nan 8.300 nan 0.000 0.436 190 P HA 0.152 nan 4.420 nan 0.000 0.274 190 P C 0.636 178.040 177.300 0.174 0.000 1.291 190 P CA 0.040 63.228 63.100 0.147 0.000 0.815 190 P CB 0.590 32.426 31.700 0.228 0.000 0.897 191 T N -1.541 113.067 114.554 0.091 0.000 3.003 191 T HA 0.029 4.379 4.350 -0.001 0.000 0.261 191 T C 1.397 176.116 174.700 0.032 0.000 1.003 191 T CA 0.089 62.262 62.100 0.122 0.000 0.917 191 T CB -0.478 68.491 68.868 0.170 0.000 1.084 191 T HN 0.070 nan 8.240 nan 0.000 0.522 192 V N 2.059 121.934 119.914 -0.064 0.000 2.720 192 V HA 0.080 4.199 4.120 -0.001 0.000 0.256 192 V C 1.324 177.358 176.094 -0.099 0.000 1.082 192 V CA 1.379 63.563 62.300 -0.194 0.000 1.101 192 V CB -0.273 31.232 31.823 -0.529 0.000 0.693 192 V HN 0.609 nan 8.190 nan 0.000 0.479 193 S N 1.224 116.935 115.700 0.018 0.000 2.416 193 S HA 0.333 4.802 4.470 -0.001 0.000 0.302 193 S C 0.161 174.779 174.600 0.029 0.000 1.120 193 S CA -0.517 57.704 58.200 0.035 0.000 1.067 193 S CB -0.218 63.039 63.200 0.094 0.000 1.057 193 S HN 0.452 nan 8.310 nan 0.000 0.518 194 M N 3.978 123.577 119.600 -0.002 0.000 2.245 194 M HA 0.165 4.645 4.480 -0.001 0.000 0.335 194 M C 1.662 177.972 176.300 0.016 0.000 1.155 194 M CA 1.588 56.892 55.300 0.007 0.000 1.055 194 M CB 0.046 32.641 32.600 -0.008 0.000 1.670 194 M HN 0.969 nan 8.290 nan 0.000 0.447 195 G N 1.649 110.457 108.800 0.013 0.000 2.299 195 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.237 195 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.237 195 G C 0.607 175.525 174.900 0.030 0.000 1.027 195 G CA 0.321 45.430 45.100 0.014 0.000 0.619 195 G HN 0.646 nan 8.290 nan 0.000 0.513 196 L N 1.072 122.326 121.223 0.052 0.000 2.179 196 L HA 0.209 4.548 4.340 -0.001 0.000 0.208 196 L C 3.043 179.963 176.870 0.082 0.000 1.096 196 L CA 1.289 56.176 54.840 0.078 0.000 0.779 196 L CB -0.771 41.356 42.059 0.113 0.000 0.922 196 L HN 0.350 nan 8.230 nan 0.000 0.443 197 G N 1.384 110.230 108.800 0.077 0.000 2.421 197 G HA2 -0.179 3.781 3.960 -0.001 0.000 0.216 197 G HA3 -0.179 3.781 3.960 -0.001 0.000 0.216 197 G C -0.515 174.295 174.900 -0.150 0.000 1.171 197 G CA 0.693 45.828 45.100 0.059 0.000 0.775 197 G HN 0.300 nan 8.290 nan 0.000 0.543 198 P HA -0.083 nan 4.420 nan 0.000 0.215 198 P C 2.045 179.413 177.300 0.113 0.000 1.157 198 P CA 0.821 63.807 63.100 -0.190 0.000 0.863 198 P CB -0.036 31.522 31.700 -0.237 0.000 0.787 199 I N -0.378 120.268 120.570 0.126 0.000 2.439 199 I HA -0.076 4.093 4.170 -0.001 0.000 0.251 199 I C 2.278 178.521 176.117 0.210 0.000 1.139 199 I CA 1.489 62.921 61.300 0.220 0.000 1.438 199 I CB -0.702 37.408 38.000 0.183 0.000 1.085 199 I HN -0.099 nan 8.210 nan 0.000 0.427 200 G N 0.339 109.186 108.800 0.078 0.000 2.418 200 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.217 200 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.217 200 G C 1.739 176.576 174.900 -0.105 0.000 1.158 200 G CA 0.731 45.870 45.100 0.065 0.000 0.771 200 G HN 0.544 nan 8.290 nan 0.000 0.545 201 A N 0.679 123.209 122.820 -0.483 0.000 1.902 201 A HA 0.055 4.375 4.320 -0.001 0.000 0.217 201 A C 2.402 179.897 177.584 -0.149 0.000 1.181 201 A CA 1.249 52.890 52.037 -0.660 0.000 0.623 201 A CB -0.350 18.191 19.000 -0.765 0.000 0.818 201 A HN 0.381 nan 8.150 nan 0.000 0.443 202 I N -2.011 118.568 120.570 0.015 0.000 2.163 202 I HA -0.298 3.872 4.170 -0.001 0.000 0.243 202 I C 2.269 178.263 176.117 -0.206 0.000 1.085 202 I CA 1.591 62.850 61.300 -0.069 0.000 1.347 202 I CB -0.365 37.596 38.000 -0.065 0.000 1.044 202 I HN 0.416 nan 8.210 nan 0.000 0.408 203 Y N 0.053 120.358 120.300 0.008 0.000 2.457 203 Y HA -0.197 4.352 4.550 -0.001 0.000 0.292 203 Y C 2.598 178.537 175.900 0.065 0.000 1.125 203 Y CA 0.912 59.030 58.100 0.029 0.000 1.254 203 Y CB -0.255 38.211 38.460 0.010 0.000 1.012 203 Y HN 0.192 nan 8.280 nan 0.000 0.555 204 Q N 0.688 120.572 119.800 0.139 0.000 2.083 204 Q HA -0.106 4.233 4.340 -0.001 0.000 0.198 204 Q C 2.301 178.381 176.000 0.134 0.000 0.969 204 Q CA 1.749 57.645 55.803 0.155 0.000 0.838 204 Q CB -0.416 28.390 28.738 0.114 0.000 0.900 204 Q HN 0.351 nan 8.270 nan 0.000 0.436 205 A N 0.521 123.356 122.820 0.026 0.000 1.933 205 A HA -0.182 4.137 4.320 -0.001 0.000 0.218 205 A C 2.076 179.652 177.584 -0.012 0.000 1.175 205 A CA 1.679 53.700 52.037 -0.025 0.000 0.628 205 A CB -0.559 18.377 19.000 -0.108 0.000 0.814 205 A HN 0.397 nan 8.150 nan 0.000 0.444 206 K N -1.745 118.653 120.400 -0.004 0.000 2.057 206 K HA -0.110 4.209 4.320 -0.001 0.000 0.206 206 K C 1.739 178.420 176.600 0.135 0.000 1.050 206 K CA 1.389 57.701 56.287 0.042 0.000 0.935 206 K CB -0.288 32.209 32.500 -0.005 0.000 0.715 206 K HN 0.380 nan 8.250 nan 0.000 0.439 207 F N 1.701 121.667 119.950 0.028 0.000 2.171 207 F HA -0.128 4.399 4.527 -0.001 0.000 0.300 207 F C 1.623 177.466 175.800 0.071 0.000 1.090 207 F CA 1.183 59.205 58.000 0.036 0.000 1.293 207 F CB -0.081 38.936 39.000 0.028 0.000 1.013 207 F HN -0.026 nan 8.300 nan 0.000 0.486 208 L N -0.235 121.013 121.223 0.043 0.000 2.046 208 L HA -0.240 4.099 4.340 -0.001 0.000 0.208 208 L C 2.539 179.318 176.870 -0.151 0.000 1.077 208 L CA 1.223 56.030 54.840 -0.056 0.000 0.747 208 L CB -0.726 41.333 42.059 0.001 0.000 0.896 208 L HN 0.003 nan 8.230 nan 0.000 0.432 209 K N -0.411 119.917 120.400 -0.120 0.000 2.057 209 K HA -0.219 4.100 4.320 -0.001 0.000 0.207 209 K C 2.054 178.513 176.600 -0.235 0.000 1.049 209 K CA 1.460 57.620 56.287 -0.212 0.000 0.931 209 K CB -0.594 31.853 32.500 -0.088 0.000 0.714 209 K HN 0.268 nan 8.250 nan 0.000 0.440 210 Y N 1.572 121.684 120.300 -0.314 0.000 2.165 210 Y HA -0.236 4.314 4.550 -0.001 0.000 0.286 210 Y C 2.017 177.612 175.900 -0.508 0.000 1.155 210 Y CA 1.180 58.922 58.100 -0.598 0.000 1.164 210 Y CB -0.305 37.626 38.460 -0.882 0.000 0.978 210 Y HN -0.123 nan 8.280 nan 0.000 0.513 211 L N 0.925 121.838 121.223 -0.517 0.000 2.083 211 L HA -0.187 4.152 4.340 -0.001 0.000 0.209 211 L C 2.521 179.195 176.870 -0.327 0.000 1.083 211 L CA 2.190 56.744 54.840 -0.477 0.000 0.752 211 L CB -1.198 40.644 42.059 -0.361 0.000 0.899 211 L HN 0.465 nan 8.230 nan 0.000 0.433 212 E N -1.342 118.688 120.200 -0.284 0.000 2.046 212 E HA -0.215 4.134 4.350 -0.001 0.000 0.190 212 E C 2.117 178.635 176.600 -0.137 0.000 0.982 212 E CA 1.182 57.453 56.400 -0.216 0.000 0.800 212 E CB -0.150 29.399 29.700 -0.252 0.000 0.756 212 E HN 0.640 nan 8.360 nan 0.000 0.449 213 H N -0.571 118.435 119.070 -0.105 0.000 2.421 213 H HA 0.022 4.578 4.556 -0.000 0.000 0.298 213 H C 1.889 177.134 175.328 -0.137 0.000 1.087 213 H CA 0.721 56.736 56.048 -0.055 0.000 1.330 213 H CB 0.232 30.064 29.762 0.116 0.000 1.388 213 H HN -0.011 nan 8.280 nan 0.000 0.526 214 R N 0.218 120.601 120.500 -0.195 0.000 2.307 214 R HA 0.014 4.353 4.340 -0.001 0.000 0.199 214 R C 1.185 177.383 176.300 -0.170 0.000 1.000 214 R CA 0.753 56.685 56.100 -0.280 0.000 1.023 214 R CB -0.078 29.870 30.300 -0.587 0.000 0.908 214 R HN 0.557 nan 8.270 nan 0.000 0.473 215 G N 0.745 109.468 108.800 -0.128 0.000 2.143 215 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.248 215 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.248 215 G C 0.567 175.409 174.900 -0.096 0.000 0.991 215 G CA 0.071 45.119 45.100 -0.087 0.000 0.689 215 G HN 0.186 nan 8.290 nan 0.000 0.522 216 L N -0.411 120.729 121.223 -0.138 0.000 2.202 216 L HA 0.465 4.804 4.340 -0.001 0.000 0.205 216 L C 1.365 178.186 176.870 -0.082 0.000 1.083 216 L CA 1.871 56.643 54.840 -0.113 0.000 0.790 216 L CB -0.163 41.805 42.059 -0.152 0.000 0.942 216 L HN 0.478 nan 8.230 nan 0.000 0.452 217 K N -0.430 119.912 120.400 -0.096 0.000 2.557 217 K HA 0.114 4.434 4.320 -0.001 0.000 0.261 217 K C -1.518 175.040 176.600 -0.070 0.000 0.932 217 K CA -0.592 55.657 56.287 -0.063 0.000 0.829 217 K CB 1.744 34.218 32.500 -0.044 0.000 1.358 217 K HN -0.229 nan 8.250 nan 0.000 0.430 218 D N 2.596 122.968 120.400 -0.046 0.000 2.402 218 D HA 0.050 4.690 4.640 -0.001 0.000 0.235 218 D C 0.506 176.785 176.300 -0.036 0.000 1.226 218 D CA 0.052 54.026 54.000 -0.045 0.000 0.918 218 D CB 0.870 41.653 40.800 -0.028 0.000 1.043 218 D HN 0.549 nan 8.370 nan 0.000 0.506 219 T N -0.655 113.867 114.554 -0.053 0.000 3.145 219 T HA -0.007 4.342 4.350 -0.001 0.000 0.255 219 T C 1.701 176.381 174.700 -0.034 0.000 1.039 219 T CA 0.243 62.322 62.100 -0.035 0.000 0.928 219 T CB -0.217 68.621 68.868 -0.050 0.000 1.029 219 T HN 0.199 nan 8.240 nan 0.000 0.554 220 S N 2.156 117.832 115.700 -0.040 0.000 2.440 220 S HA -0.116 4.353 4.470 -0.001 0.000 0.238 220 S C 1.674 176.268 174.600 -0.010 0.000 1.010 220 S CA 0.624 58.802 58.200 -0.036 0.000 0.972 220 S CB -0.510 62.671 63.200 -0.032 0.000 0.774 220 S HN 0.623 nan 8.310 nan 0.000 0.501 221 K N 0.758 121.166 120.400 0.013 0.000 2.404 221 K HA 0.199 4.519 4.320 -0.001 0.000 0.194 221 K C 0.246 176.883 176.600 0.060 0.000 1.023 221 K CA 0.055 56.368 56.287 0.043 0.000 1.094 221 K CB 0.169 32.709 32.500 0.066 0.000 0.841 221 K HN 0.544 nan 8.250 nan 0.000 0.523 222 Q N 0.941 120.765 119.800 0.040 0.000 2.256 222 Q HA 0.178 4.517 4.340 -0.001 0.000 0.254 222 Q C -0.712 175.292 176.000 0.008 0.000 0.916 222 Q CA 0.026 55.860 55.803 0.051 0.000 0.932 222 Q CB 1.736 30.505 28.738 0.051 0.000 1.207 222 Q HN -0.087 nan 8.270 nan 0.000 0.426 223 T N 1.513 116.070 114.554 0.005 0.000 2.829 223 T HA 0.417 4.767 4.350 -0.001 0.000 0.280 223 T C -0.554 174.052 174.700 -0.156 0.000 0.999 223 T CA -0.576 61.439 62.100 -0.142 0.000 0.983 223 T CB 1.324 70.037 68.868 -0.258 0.000 0.968 223 T HN 0.241 nan 8.240 nan 0.000 0.446 224 V N 3.789 123.582 119.914 -0.201 0.000 2.370 224 V HA 0.383 4.502 4.120 -0.001 0.000 0.279 224 V C -1.123 174.873 176.094 -0.164 0.000 1.029 224 V CA -0.750 61.503 62.300 -0.079 0.000 0.870 224 V CB 0.406 32.203 31.823 -0.042 0.000 0.984 224 V HN 0.775 nan 8.190 nan 0.000 0.451 225 Y N 2.850 123.231 120.300 0.134 0.000 2.331 225 Y HA 0.685 5.235 4.550 -0.001 0.000 0.338 225 Y C 0.424 176.414 175.900 0.150 0.000 0.976 225 Y CA -0.616 57.575 58.100 0.152 0.000 1.137 225 Y CB 1.915 40.565 38.460 0.316 0.000 1.172 225 Y HN 0.669 nan 8.280 nan 0.000 0.478 226 A N 4.785 127.697 122.820 0.153 0.000 2.285 226 A HA 0.640 4.959 4.320 -0.001 0.000 0.310 226 A C -1.482 176.028 177.584 -0.124 0.000 1.266 226 A CA -0.507 51.527 52.037 -0.005 0.000 0.832 226 A CB -0.208 18.604 19.000 -0.313 0.000 1.163 226 A HN 0.593 nan 8.150 nan 0.000 0.499 227 F N 3.040 123.013 119.950 0.038 0.000 2.390 227 F HA 0.495 5.022 4.527 -0.001 0.000 0.361 227 F C 0.186 175.978 175.800 -0.013 0.000 1.124 227 F CA -0.027 57.992 58.000 0.032 0.000 1.149 227 F CB 0.937 40.039 39.000 0.169 0.000 1.160 227 F HN 0.384 nan 8.300 nan 0.000 0.501 228 L N 2.346 123.552 121.223 -0.029 0.000 2.303 228 L HA 0.824 5.163 4.340 -0.001 0.000 0.266 228 L C 0.546 177.410 176.870 -0.011 0.000 1.011 228 L CA -1.139 53.661 54.840 -0.066 0.000 0.818 228 L CB 1.710 43.625 42.059 -0.239 0.000 1.326 228 L HN 0.599 nan 8.230 nan 0.000 0.435 229 G N -0.796 108.015 108.800 0.019 0.000 2.434 229 G HA2 0.349 4.308 3.960 -0.001 0.000 0.330 229 G HA3 0.349 4.308 3.960 -0.001 0.000 0.330 229 G C 0.034 174.939 174.900 0.009 0.000 1.155 229 G CA -0.335 44.792 45.100 0.045 0.000 0.917 229 G HN 0.767 nan 8.290 nan 0.000 0.493 230 D N 0.390 120.797 120.400 0.012 0.000 2.183 230 D HA -0.060 4.579 4.640 -0.001 0.000 0.203 230 D C 2.164 178.474 176.300 0.017 0.000 0.969 230 D CA 1.134 55.134 54.000 -0.000 0.000 0.842 230 D CB -0.711 40.088 40.800 -0.002 0.000 0.957 230 D HN 0.481 nan 8.370 nan 0.000 0.484 231 G N 0.747 109.567 108.800 0.033 0.000 2.418 231 G HA2 -0.326 3.633 3.960 -0.001 0.000 0.217 231 G HA3 -0.326 3.633 3.960 -0.001 0.000 0.217 231 G C 1.431 176.343 174.900 0.021 0.000 1.158 231 G CA 0.748 45.867 45.100 0.031 0.000 0.771 231 G HN 0.491 nan 8.290 nan 0.000 0.545 232 E N -0.092 120.122 120.200 0.023 0.000 2.267 232 E HA -0.140 4.209 4.350 -0.001 0.000 0.197 232 E C 2.141 178.743 176.600 0.003 0.000 0.998 232 E CA 0.734 57.141 56.400 0.012 0.000 0.830 232 E CB -0.147 29.563 29.700 0.017 0.000 0.751 232 E HN 0.281 nan 8.360 nan 0.000 0.491 233 M N 0.969 120.572 119.600 0.005 0.000 2.549 233 M HA -0.072 4.408 4.480 -0.001 0.000 0.260 233 M C 0.817 177.126 176.300 0.014 0.000 1.076 233 M CA 0.944 56.254 55.300 0.016 0.000 1.090 233 M CB -0.533 32.089 32.600 0.037 0.000 1.418 233 M HN 0.046 nan 8.290 nan 0.000 0.486 234 D N 0.545 120.950 120.400 0.009 0.000 2.312 234 D HA -0.028 4.612 4.640 -0.001 0.000 0.211 234 D C 0.487 176.787 176.300 0.000 0.000 0.964 234 D CA 0.497 54.499 54.000 0.004 0.000 0.877 234 D CB 0.149 40.953 40.800 0.006 0.000 0.924 234 D HN 0.256 nan 8.370 nan 0.000 0.515 235 E N 0.712 120.913 120.200 0.002 0.000 2.415 235 E HA -0.006 4.343 4.350 -0.001 0.000 0.263 235 E C -1.607 174.993 176.600 -0.000 0.000 0.995 235 E CA -1.216 55.185 56.400 0.002 0.000 0.915 235 E CB 0.921 30.623 29.700 0.004 0.000 0.951 235 E HN 0.091 nan 8.360 nan 0.000 0.449 236 P HA -0.153 nan 4.420 nan 0.000 0.219 236 P C 0.578 177.877 177.300 -0.002 0.000 1.146 236 P CA 1.170 64.264 63.100 -0.010 0.000 0.808 236 P CB 0.366 32.058 31.700 -0.012 0.000 0.779 237 E N -1.110 119.096 120.200 0.009 0.000 2.274 237 E HA -0.068 4.281 4.350 -0.001 0.000 0.194 237 E C 1.990 178.618 176.600 0.045 0.000 0.996 237 E CA 0.850 57.265 56.400 0.026 0.000 0.840 237 E CB -0.717 28.999 29.700 0.027 0.000 0.772 237 E HN 0.178 nan 8.360 nan 0.000 0.491 238 S N 0.493 116.213 115.700 0.032 0.000 2.368 238 S HA -0.088 4.381 4.470 -0.001 0.000 0.225 238 S C 1.529 176.181 174.600 0.088 0.000 1.030 238 S CA 1.197 59.426 58.200 0.050 0.000 0.999 238 S CB 0.008 63.221 63.200 0.022 0.000 0.844 238 S HN 0.197 nan 8.310 nan 0.000 0.459 239 K N -0.023 120.377 120.400 -0.000 0.000 2.380 239 K HA 0.198 4.517 4.320 -0.001 0.000 0.198 239 K C 1.979 178.501 176.600 -0.130 0.000 1.070 239 K CA 0.372 56.583 56.287 -0.128 0.000 1.040 239 K CB 0.189 32.566 32.500 -0.205 0.000 0.903 239 K HN 0.320 nan 8.250 nan 0.000 0.549 240 G N 1.217 109.987 108.800 -0.050 0.000 2.498 240 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.219 240 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.219 240 G C 1.173 176.071 174.900 -0.004 0.000 1.119 240 G CA 0.979 46.058 45.100 -0.035 0.000 0.766 240 G HN 0.298 nan 8.290 nan 0.000 0.552 241 A N 0.266 123.107 122.820 0.035 0.000 2.469 241 A HA 0.395 4.714 4.320 -0.001 0.000 0.245 241 A C 1.963 179.580 177.584 0.054 0.000 1.221 241 A CA 0.279 52.370 52.037 0.090 0.000 0.946 241 A CB -0.063 19.075 19.000 0.230 0.000 1.049 241 A HN 0.498 nan 8.150 nan 0.000 0.529 242 I N -1.308 119.248 120.570 -0.022 0.000 2.335 242 I HA -0.187 3.982 4.170 -0.001 0.000 0.251 242 I C 2.085 178.313 176.117 0.186 0.000 1.129 242 I CA 2.089 63.398 61.300 0.015 0.000 1.402 242 I CB -1.085 36.602 38.000 -0.521 0.000 1.069 242 I HN 0.240 nan 8.210 nan 0.000 0.424 243 T N -0.386 114.193 114.554 0.041 0.000 2.977 243 T HA -0.038 4.312 4.350 -0.001 0.000 0.271 243 T C 1.816 176.525 174.700 0.016 0.000 1.105 243 T CA 0.836 62.966 62.100 0.050 0.000 1.116 243 T CB -0.538 68.328 68.868 -0.003 0.000 0.878 243 T HN 0.336 nan 8.240 nan 0.000 0.509 244 I N 2.211 122.777 120.570 -0.006 0.000 2.394 244 I HA 0.008 4.177 4.170 -0.001 0.000 0.251 244 I C 3.031 179.057 176.117 -0.153 0.000 1.136 244 I CA 0.874 62.125 61.300 -0.080 0.000 1.425 244 I CB -1.789 36.128 38.000 -0.137 0.000 1.079 244 I HN 0.396 nan 8.210 nan 0.000 0.425 245 A N 0.273 122.998 122.820 -0.159 0.000 1.972 245 A HA -0.157 4.163 4.320 -0.001 0.000 0.219 245 A C 2.421 179.770 177.584 -0.391 0.000 1.169 245 A CA 2.148 53.968 52.037 -0.362 0.000 0.635 245 A CB -0.831 17.784 19.000 -0.641 0.000 0.810 245 A HN 0.408 nan 8.150 nan 0.000 0.446 246 T N -0.699 113.702 114.554 -0.255 0.000 2.894 246 T HA -0.040 4.309 4.350 -0.001 0.000 0.258 246 T C 2.067 176.679 174.700 -0.146 0.000 1.043 246 T CA 1.084 63.059 62.100 -0.207 0.000 1.141 246 T CB -0.169 68.649 68.868 -0.084 0.000 0.873 246 T HN 0.494 nan 8.240 nan 0.000 0.449 247 R N 1.193 121.629 120.500 -0.108 0.000 2.091 247 R HA -0.046 4.294 4.340 -0.001 0.000 0.238 247 R C 1.927 178.163 176.300 -0.106 0.000 1.136 247 R CA 1.089 57.135 56.100 -0.090 0.000 0.959 247 R CB -0.116 30.143 30.300 -0.068 0.000 0.856 247 R HN 0.339 nan 8.270 nan 0.000 0.437 248 E N 0.716 120.840 120.200 -0.126 0.000 2.465 248 E HA 0.014 4.363 4.350 -0.001 0.000 0.191 248 E C -0.256 176.269 176.600 -0.124 0.000 1.053 248 E CA 0.028 56.361 56.400 -0.112 0.000 0.869 248 E CB 0.260 29.900 29.700 -0.099 0.000 0.977 248 E HN 0.197 nan 8.360 nan 0.000 0.483 249 K N 0.839 121.140 120.400 -0.165 0.000 3.451 249 K HA -0.172 4.148 4.320 -0.001 0.000 0.273 249 K C -0.302 176.178 176.600 -0.200 0.000 0.944 249 K CA 0.141 56.321 56.287 -0.178 0.000 0.734 249 K CB -1.687 30.744 32.500 -0.116 0.000 1.437 249 K HN 0.187 nan 8.250 nan 0.000 0.454 250 L N 2.018 123.071 121.223 -0.284 0.000 2.391 250 L HA 0.025 4.365 4.340 -0.001 0.000 0.249 250 L C 0.966 177.636 176.870 -0.333 0.000 1.308 250 L CA -0.190 54.474 54.840 -0.293 0.000 1.209 250 L CB -0.358 41.495 42.059 -0.345 0.000 1.401 250 L HN 0.289 nan 8.230 nan 0.000 0.416 251 D N -1.013 119.238 120.400 -0.248 0.000 2.338 251 D HA -0.119 4.521 4.640 -0.001 0.000 0.239 251 D C 1.024 177.204 176.300 -0.201 0.000 1.095 251 D CA 0.092 53.953 54.000 -0.231 0.000 0.888 251 D CB -0.132 40.567 40.800 -0.168 0.000 0.899 251 D HN 0.416 nan 8.370 nan 0.000 0.525 252 N N 0.107 118.684 118.700 -0.204 0.000 2.204 252 N HA 0.079 4.818 4.740 -0.001 0.000 0.219 252 N C -0.366 175.011 175.510 -0.221 0.000 1.151 252 N CA -0.463 52.481 53.050 -0.178 0.000 0.867 252 N CB 0.264 38.673 38.487 -0.131 0.000 1.043 252 N HN 0.213 nan 8.380 nan 0.000 0.516 253 L N 0.643 121.703 121.223 -0.272 0.000 2.333 253 L HA 0.610 4.949 4.340 -0.001 0.000 0.280 253 L C -1.329 175.390 176.870 -0.252 0.000 1.004 253 L CA -0.816 53.866 54.840 -0.263 0.000 0.820 253 L CB 2.050 43.921 42.059 -0.313 0.000 1.247 253 L HN -0.134 nan 8.230 nan 0.000 0.416 254 V N 5.614 125.430 119.914 -0.164 0.000 2.483 254 V HA 0.435 4.555 4.120 -0.001 0.000 0.297 254 V C -0.698 175.506 176.094 0.184 0.000 1.027 254 V CA -0.466 61.793 62.300 -0.068 0.000 0.855 254 V CB 1.363 33.090 31.823 -0.160 0.000 0.995 254 V HN 0.489 nan 8.190 nan 0.000 0.424 255 F N 4.026 123.964 119.950 -0.021 0.000 2.411 255 F HA 0.559 5.086 4.527 -0.001 0.000 0.350 255 F C 0.248 175.867 175.800 -0.302 0.000 1.114 255 F CA -0.995 56.940 58.000 -0.109 0.000 1.135 255 F CB 1.868 40.806 39.000 -0.103 0.000 1.120 255 F HN 0.183 nan 8.300 nan 0.000 0.495 256 V N 6.636 126.356 119.914 -0.323 0.000 2.304 256 V HA 0.339 4.459 4.120 -0.001 0.000 0.278 256 V C 0.054 175.926 176.094 -0.370 0.000 1.018 256 V CA -0.589 61.420 62.300 -0.485 0.000 0.814 256 V CB 0.915 32.157 31.823 -0.969 0.000 1.021 256 V HN 0.445 nan 8.190 nan 0.000 0.440 257 I N 3.956 124.347 120.570 -0.298 0.000 2.304 257 I HA 0.325 4.495 4.170 -0.001 0.000 0.291 257 I C 0.376 176.393 176.117 -0.168 0.000 1.018 257 I CA -0.374 60.793 61.300 -0.222 0.000 1.260 257 I CB 1.170 39.027 38.000 -0.238 0.000 1.390 257 I HN 0.456 nan 8.210 nan 0.000 0.475 258 N N 6.585 125.227 118.700 -0.096 0.000 2.421 258 N HA 0.082 4.822 4.740 -0.001 0.000 0.260 258 N C -0.725 174.754 175.510 -0.052 0.000 1.173 258 N CA -0.287 52.723 53.050 -0.067 0.000 0.960 258 N CB 0.323 38.808 38.487 -0.004 0.000 1.273 258 N HN 0.545 nan 8.380 nan 0.000 0.497 259 C N 4.201 123.454 119.300 -0.077 0.000 2.262 259 C HA 0.179 4.638 4.460 -0.001 0.000 0.413 259 C C 1.322 176.328 174.990 0.027 0.000 1.019 259 C CA -0.882 58.111 59.018 -0.043 0.000 1.320 259 C CB -1.941 25.738 27.740 -0.102 0.000 1.657 259 C HN 0.697 nan 8.230 nan 0.000 0.510 260 N N 1.342 120.067 118.700 0.042 0.000 2.268 260 N HA 0.094 4.834 4.740 -0.001 0.000 0.204 260 N C 0.796 176.365 175.510 0.098 0.000 1.124 260 N CA -0.237 52.857 53.050 0.073 0.000 0.838 260 N CB -0.441 38.094 38.487 0.079 0.000 0.994 260 N HN 0.666 nan 8.380 nan 0.000 0.489 261 L N -2.635 118.640 121.223 0.087 0.000 5.051 261 L HA -0.322 4.017 4.340 -0.001 0.000 0.432 261 L C -0.697 176.223 176.870 0.084 0.000 1.055 261 L CA 1.220 56.114 54.840 0.090 0.000 1.095 261 L CB -1.861 40.276 42.059 0.130 0.000 1.957 261 L HN 0.402 nan 8.230 nan 0.000 0.727 262 Q N -0.154 119.697 119.800 0.085 0.000 2.377 262 Q HA 0.666 5.005 4.340 -0.001 0.000 0.271 262 Q C -0.001 176.049 176.000 0.083 0.000 1.077 262 Q CA -0.841 55.013 55.803 0.085 0.000 0.820 262 Q CB 2.484 31.281 28.738 0.098 0.000 1.347 262 Q HN 0.293 nan 8.270 nan 0.000 0.444 263 R N 0.589 121.133 120.500 0.072 0.000 2.948 263 R HA 0.409 4.748 4.340 -0.001 0.000 0.216 263 R C 0.873 177.217 176.300 0.074 0.000 1.557 263 R CA -0.871 55.270 56.100 0.068 0.000 0.970 263 R CB -0.194 30.134 30.300 0.046 0.000 2.255 263 R HN 0.425 nan 8.270 nan 0.000 0.527 264 L N 0.334 121.591 121.223 0.057 0.000 2.044 264 L HA -0.030 4.309 4.340 -0.001 0.000 0.205 264 L C 0.514 177.422 176.870 0.064 0.000 1.075 264 L CA 2.090 56.969 54.840 0.065 0.000 0.747 264 L CB -0.812 41.275 42.059 0.045 0.000 0.903 264 L HN 0.622 nan 8.230 nan 0.000 0.435 265 D N -0.188 120.242 120.400 0.050 0.000 2.349 265 D HA 0.314 4.953 4.640 -0.001 0.000 0.214 265 D C 0.815 177.142 176.300 0.045 0.000 1.063 265 D CA 0.709 54.736 54.000 0.045 0.000 0.847 265 D CB 1.103 41.925 40.800 0.035 0.000 0.933 265 D HN 0.488 nan 8.370 nan 0.000 0.513 266 G N 0.557 109.386 108.800 0.050 0.000 2.317 266 G HA2 0.215 4.174 3.960 -0.001 0.000 0.293 266 G HA3 0.215 4.174 3.960 -0.001 0.000 0.293 266 G C -3.022 171.910 174.900 0.053 0.000 1.287 266 G CA -0.883 44.246 45.100 0.048 0.000 0.850 266 G HN -0.240 nan 8.290 nan 0.000 0.515 267 P HA 0.296 nan 4.420 nan 0.000 0.274 267 P C 1.269 178.597 177.300 0.047 0.000 1.231 267 P CA -0.192 62.942 63.100 0.056 0.000 0.790 267 P CB 1.700 33.434 31.700 0.057 0.000 0.951 268 V N 1.591 121.533 119.914 0.048 0.000 2.233 268 V HA -0.149 3.971 4.120 -0.001 0.000 0.247 268 V C 1.419 177.532 176.094 0.032 0.000 1.050 268 V CA 2.771 65.094 62.300 0.037 0.000 1.010 268 V CB -1.564 30.280 31.823 0.034 0.000 0.637 268 V HN 0.863 nan 8.190 nan 0.000 0.444 269 T N -2.817 111.758 114.554 0.035 0.000 3.160 269 T HA 0.501 4.850 4.350 -0.001 0.000 0.346 269 T C 0.722 175.443 174.700 0.036 0.000 1.027 269 T CA 0.124 62.242 62.100 0.029 0.000 1.287 269 T CB 0.789 69.670 68.868 0.023 0.000 0.997 269 T HN 0.309 nan 8.240 nan 0.000 0.518 270 G N 2.127 110.948 108.800 0.035 0.000 2.471 270 G HA2 -0.124 3.835 3.960 -0.001 0.000 0.219 270 G HA3 -0.124 3.835 3.960 -0.001 0.000 0.219 270 G C 1.237 176.154 174.900 0.028 0.000 1.125 270 G CA 0.142 45.264 45.100 0.037 0.000 0.775 270 G HN 0.625 nan 8.290 nan 0.000 0.548 271 N N 0.630 119.342 118.700 0.020 0.000 2.336 271 N HA 0.122 4.861 4.740 -0.001 0.000 0.189 271 N C 1.084 176.600 175.510 0.011 0.000 1.113 271 N CA 0.624 53.682 53.050 0.013 0.000 0.858 271 N CB 0.902 39.395 38.487 0.009 0.000 0.970 271 N HN 0.350 nan 8.380 nan 0.000 0.471 272 G N -0.017 108.793 108.800 0.017 0.000 3.257 272 G HA2 0.555 4.514 3.960 -0.001 0.000 0.205 272 G HA3 0.555 4.514 3.960 -0.001 0.000 0.205 272 G C -1.030 173.880 174.900 0.016 0.000 1.234 272 G CA -0.437 44.669 45.100 0.011 0.000 0.918 272 G HN -0.049 nan 8.290 nan 0.000 0.602 273 K N 0.298 120.702 120.400 0.007 0.000 2.664 273 K HA 0.255 4.574 4.320 -0.001 0.000 0.234 273 K C 0.266 176.880 176.600 0.023 0.000 0.980 273 K CA -0.594 55.696 56.287 0.005 0.000 0.996 273 K CB 2.109 34.570 32.500 -0.066 0.000 1.190 273 K HN 0.253 nan 8.250 nan 0.000 0.479 274 I N 2.658 123.246 120.570 0.030 0.000 2.335 274 I HA -0.241 3.929 4.170 -0.001 0.000 0.251 274 I C 1.464 177.585 176.117 0.007 0.000 1.129 274 I CA 1.552 62.863 61.300 0.019 0.000 1.402 274 I CB 0.001 38.012 38.000 0.019 0.000 1.069 274 I HN 0.647 nan 8.210 nan 0.000 0.424 275 I N 0.221 120.797 120.570 0.010 0.000 2.252 275 I HA -0.287 3.882 4.170 -0.001 0.000 0.245 275 I C 1.982 178.103 176.117 0.007 0.000 1.102 275 I CA 1.142 62.423 61.300 -0.031 0.000 1.385 275 I CB -0.602 37.343 38.000 -0.091 0.000 1.064 275 I HN 0.264 nan 8.210 nan 0.000 0.414 276 N N 0.675 119.413 118.700 0.064 0.000 2.188 276 N HA -0.210 4.530 4.740 -0.001 0.000 0.184 276 N C 1.709 177.234 175.510 0.025 0.000 1.018 276 N CA 1.048 54.128 53.050 0.049 0.000 0.858 276 N CB -0.284 38.235 38.487 0.053 0.000 0.989 276 N HN 0.420 nan 8.380 nan 0.000 0.426 277 E N 0.157 120.369 120.200 0.021 0.000 2.085 277 E HA -0.165 4.184 4.350 -0.001 0.000 0.194 277 E C 1.415 178.034 176.600 0.033 0.000 0.994 277 E CA 0.837 57.247 56.400 0.017 0.000 0.801 277 E CB 0.020 29.728 29.700 0.013 0.000 0.743 277 E HN 0.048 nan 8.360 nan 0.000 0.453 278 L N 1.543 122.791 121.223 0.042 0.000 2.027 278 L HA -0.152 4.187 4.340 -0.001 0.000 0.206 278 L C 2.437 179.386 176.870 0.132 0.000 1.074 278 L CA 2.093 56.996 54.840 0.105 0.000 0.745 278 L CB -1.073 40.987 42.059 0.003 0.000 0.898 278 L HN 0.304 nan 8.230 nan 0.000 0.433 279 E N -0.849 119.367 120.200 0.028 0.000 2.051 279 E HA -0.185 4.164 4.350 -0.001 0.000 0.192 279 E C 2.170 178.799 176.600 0.049 0.000 0.991 279 E CA 1.213 57.623 56.400 0.017 0.000 0.799 279 E CB -0.359 29.330 29.700 -0.018 0.000 0.748 279 E HN 0.437 nan 8.360 nan 0.000 0.449 280 G N 1.630 110.450 108.800 0.033 0.000 2.446 280 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.217 280 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.217 280 G C 1.626 176.526 174.900 0.001 0.000 1.168 280 G CA 0.946 46.056 45.100 0.016 0.000 0.771 280 G HN 0.417 nan 8.290 nan 0.000 0.551 281 I N -1.323 119.240 120.570 -0.013 0.000 2.500 281 I HA 0.092 4.261 4.170 -0.001 0.000 0.252 281 I C 2.290 178.291 176.117 -0.193 0.000 1.142 281 I CA 0.604 61.840 61.300 -0.106 0.000 1.451 281 I CB 0.056 37.960 38.000 -0.160 0.000 1.093 281 I HN 0.147 nan 8.210 nan 0.000 0.430 282 F N 1.250 121.082 119.950 -0.197 0.000 2.163 282 F HA -0.177 4.349 4.527 -0.001 0.000 0.297 282 F C 2.476 178.208 175.800 -0.113 0.000 1.094 282 F CA 1.618 59.437 58.000 -0.303 0.000 1.290 282 F CB -0.346 38.420 39.000 -0.390 0.000 1.017 282 F HN 0.098 nan 8.300 nan 0.000 0.483 283 E N 0.330 120.599 120.200 0.116 0.000 2.077 283 E HA -0.129 4.221 4.350 -0.001 0.000 0.193 283 E C 2.435 179.065 176.600 0.050 0.000 0.989 283 E CA 1.595 58.046 56.400 0.085 0.000 0.800 283 E CB -0.860 28.869 29.700 0.048 0.000 0.746 283 E HN 0.263 nan 8.360 nan 0.000 0.452 284 G N -0.131 108.673 108.800 0.007 0.000 2.443 284 G HA2 -0.169 3.791 3.960 -0.001 0.000 0.219 284 G HA3 -0.169 3.791 3.960 -0.001 0.000 0.219 284 G C 1.497 176.388 174.900 -0.014 0.000 1.131 284 G CA 0.683 45.775 45.100 -0.014 0.000 0.775 284 G HN 0.425 nan 8.290 nan 0.000 0.547 285 A N -0.453 122.351 122.820 -0.026 0.000 2.238 285 A HA 0.481 4.801 4.320 -0.001 0.000 0.208 285 A C 1.939 179.619 177.584 0.159 0.000 1.177 285 A CA 1.235 53.279 52.037 0.010 0.000 0.804 285 A CB -0.384 18.542 19.000 -0.122 0.000 0.823 285 A HN 1.535 nan 8.150 nan 0.000 0.482 286 G N -2.811 106.080 108.800 0.153 0.000 2.157 286 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.239 286 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.239 286 G C -0.152 174.855 174.900 0.179 0.000 0.982 286 G CA 0.006 45.182 45.100 0.126 0.000 0.650 286 G HN 0.354 nan 8.290 nan 0.000 0.527 287 W N 0.581 121.862 121.300 -0.032 0.000 2.215 287 W HA 0.629 5.289 4.660 -0.001 0.000 0.342 287 W C 0.531 177.025 176.519 -0.042 0.000 1.237 287 W CA -0.818 56.511 57.345 -0.028 0.000 1.283 287 W CB 0.431 29.934 29.460 0.072 0.000 1.131 287 W HN 0.167 nan 8.180 nan 0.000 0.606 288 N N 1.052 119.845 118.700 0.156 0.000 2.406 288 N HA 0.289 5.028 4.740 -0.001 0.000 0.251 288 N C -1.528 174.008 175.510 0.042 0.000 1.069 288 N CA -0.093 52.983 53.050 0.044 0.000 0.947 288 N CB 0.547 39.011 38.487 -0.040 0.000 1.111 288 N HN 0.124 nan 8.380 nan 0.000 0.497 289 V N 5.346 125.267 119.914 0.011 0.000 2.407 289 V HA 0.404 4.523 4.120 -0.001 0.000 0.278 289 V C 0.355 176.385 176.094 -0.107 0.000 1.037 289 V CA -0.581 61.683 62.300 -0.060 0.000 0.900 289 V CB 0.815 32.608 31.823 -0.050 0.000 0.983 289 V HN 0.562 nan 8.190 nan 0.000 0.459 290 I N 5.050 125.521 120.570 -0.166 0.000 2.411 290 I HA 0.408 4.578 4.170 -0.001 0.000 0.284 290 I C -0.104 175.878 176.117 -0.225 0.000 1.012 290 I CA -0.618 60.572 61.300 -0.183 0.000 1.119 290 I CB 1.510 39.383 38.000 -0.213 0.000 1.261 290 I HN 0.494 nan 8.210 nan 0.000 0.448 291 K N 5.217 125.489 120.400 -0.213 0.000 2.248 291 K HA 0.439 4.758 4.320 -0.001 0.000 0.281 291 K C -0.628 175.801 176.600 -0.286 0.000 1.054 291 K CA -0.392 55.731 56.287 -0.274 0.000 0.903 291 K CB 1.826 34.154 32.500 -0.287 0.000 1.077 291 K HN 0.319 nan 8.250 nan 0.000 0.474 292 V N 6.062 125.789 119.914 -0.312 0.000 2.217 292 V HA 0.057 4.176 4.120 -0.001 0.000 0.264 292 V C 0.684 176.547 176.094 -0.385 0.000 1.107 292 V CA -0.304 61.830 62.300 -0.277 0.000 0.913 292 V CB 0.561 32.255 31.823 -0.214 0.000 1.153 292 V HN 0.833 nan 8.190 nan 0.000 0.469 293 M N 1.476 120.747 119.600 -0.547 0.000 2.276 293 M HA 0.191 4.671 4.480 -0.001 0.000 0.262 293 M C 0.357 176.009 176.300 -1.080 0.000 1.098 293 M CA 1.238 55.923 55.300 -1.025 0.000 1.167 293 M CB -0.166 31.583 32.600 -1.419 0.000 1.337 293 M HN 0.492 nan 8.290 nan 0.000 0.446 294 W N -0.283 120.878 121.300 -0.232 0.000 2.761 294 W HA 0.628 5.287 4.660 -0.001 0.000 0.340 294 W C 0.592 177.108 176.519 -0.005 0.000 1.072 294 W CA -1.250 55.936 57.345 -0.266 0.000 1.215 294 W CB 0.701 29.751 29.460 -0.683 0.000 1.420 294 W HN 0.126 nan 8.180 nan 0.000 0.519 295 G N 0.162 109.245 108.800 0.471 0.000 2.653 295 G HA2 0.180 4.139 3.960 -0.001 0.000 0.265 295 G HA3 0.180 4.139 3.960 -0.001 0.000 0.265 295 G C 0.624 175.775 174.900 0.418 0.000 1.237 295 G CA -0.464 44.866 45.100 0.383 0.000 0.946 295 G HN 0.522 nan 8.290 nan 0.000 0.522 296 S N -0.602 115.259 115.700 0.268 0.000 2.442 296 S HA -0.100 4.369 4.470 -0.001 0.000 0.236 296 S C 2.315 177.058 174.600 0.238 0.000 1.007 296 S CA 0.810 59.144 58.200 0.224 0.000 0.965 296 S CB -0.142 63.140 63.200 0.136 0.000 0.773 296 S HN 0.557 nan 8.310 nan 0.000 0.504 297 R N -0.256 120.386 120.500 0.237 0.000 2.189 297 R HA -0.059 4.280 4.340 -0.001 0.000 0.223 297 R C 1.370 177.778 176.300 0.179 0.000 1.092 297 R CA 1.119 57.304 56.100 0.143 0.000 0.989 297 R CB -0.228 30.095 30.300 0.038 0.000 0.876 297 R HN 0.496 nan 8.270 nan 0.000 0.457 298 W N 0.934 122.342 121.300 0.179 0.000 2.770 298 W HA 0.028 4.688 4.660 -0.001 0.000 0.256 298 W C 1.382 177.976 176.519 0.125 0.000 1.291 298 W CA 0.065 57.491 57.345 0.135 0.000 1.396 298 W CB 0.075 29.579 29.460 0.073 0.000 1.114 298 W HN 0.003 nan 8.180 nan 0.000 0.637 299 D N 0.562 121.167 120.400 0.343 0.000 2.123 299 D HA -0.217 4.423 4.640 -0.001 0.000 0.196 299 D C 1.740 178.153 176.300 0.189 0.000 0.992 299 D CA 1.650 55.791 54.000 0.236 0.000 0.833 299 D CB -0.366 40.546 40.800 0.186 0.000 0.954 299 D HN 0.186 nan 8.370 nan 0.000 0.455 300 E N 0.346 120.654 120.200 0.180 0.000 2.106 300 E HA -0.094 4.256 4.350 -0.001 0.000 0.192 300 E C 1.949 178.643 176.600 0.156 0.000 0.984 300 E CA 0.140 56.630 56.400 0.151 0.000 0.806 300 E CB -0.258 29.528 29.700 0.145 0.000 0.750 300 E HN 0.055 nan 8.360 nan 0.000 0.458 301 L N 0.443 121.778 121.223 0.186 0.000 1.976 301 L HA -0.137 4.202 4.340 -0.001 0.000 0.209 301 L C 2.172 179.129 176.870 0.145 0.000 1.071 301 L CA 1.708 56.631 54.840 0.139 0.000 0.746 301 L CB -1.170 40.951 42.059 0.103 0.000 0.890 301 L HN 0.299 nan 8.230 nan 0.000 0.432 302 L N -0.695 120.646 121.223 0.197 0.000 2.127 302 L HA -0.248 4.091 4.340 -0.001 0.000 0.211 302 L C 2.762 179.703 176.870 0.119 0.000 1.089 302 L CA 1.237 56.176 54.840 0.166 0.000 0.757 302 L CB -0.450 41.717 42.059 0.180 0.000 0.899 302 L HN 0.305 nan 8.230 nan 0.000 0.434 303 R N -0.069 120.500 120.500 0.115 0.000 2.127 303 R HA -0.103 4.237 4.340 -0.001 0.000 0.217 303 R C 2.314 178.658 176.300 0.073 0.000 1.074 303 R CA 0.729 56.882 56.100 0.088 0.000 0.991 303 R CB 0.080 30.433 30.300 0.089 0.000 0.895 303 R HN 0.183 nan 8.270 nan 0.000 0.450 304 K N 0.629 121.076 120.400 0.078 0.000 2.211 304 K HA -0.123 4.197 4.320 -0.001 0.000 0.203 304 K C 0.163 176.791 176.600 0.046 0.000 1.050 304 K CA 0.771 57.094 56.287 0.061 0.000 0.945 304 K CB -0.068 32.471 32.500 0.066 0.000 0.732 304 K HN 0.045 nan 8.250 nan 0.000 0.451 305 D N 0.377 120.809 120.400 0.053 0.000 2.383 305 D HA -0.036 4.604 4.640 -0.001 0.000 0.252 305 D C 0.409 176.731 176.300 0.036 0.000 1.166 305 D CA 0.365 54.391 54.000 0.042 0.000 0.879 305 D CB 1.559 42.394 40.800 0.058 0.000 1.164 305 D HN 0.220 nan 8.370 nan 0.000 0.462 306 T N -0.661 113.907 114.554 0.022 0.000 2.971 306 T HA -0.015 4.334 4.350 -0.001 0.000 0.252 306 T C 1.680 176.384 174.700 0.006 0.000 1.022 306 T CA 0.398 62.508 62.100 0.017 0.000 0.980 306 T CB -0.126 68.751 68.868 0.015 0.000 1.044 306 T HN 0.302 nan 8.240 nan 0.000 0.501 307 S N 1.360 117.059 115.700 -0.001 0.000 2.489 307 S HA 0.340 4.809 4.470 -0.001 0.000 0.228 307 S C 2.109 176.693 174.600 -0.027 0.000 0.995 307 S CA 0.594 58.782 58.200 -0.020 0.000 0.934 307 S CB -0.925 62.255 63.200 -0.033 0.000 0.771 307 S HN 1.248 nan 8.310 nan 0.000 0.522 308 G N 1.231 110.027 108.800 -0.008 0.000 2.153 308 G HA2 -0.332 3.627 3.960 -0.001 0.000 0.252 308 G HA3 -0.332 3.627 3.960 -0.001 0.000 0.252 308 G C 0.678 175.560 174.900 -0.030 0.000 0.994 308 G CA 0.635 45.733 45.100 -0.003 0.000 0.698 308 G HN 0.557 nan 8.290 nan 0.000 0.521 309 K N -0.545 119.826 120.400 -0.049 0.000 2.228 309 K HA 0.291 4.610 4.320 -0.001 0.000 0.202 309 K C 2.309 178.891 176.600 -0.030 0.000 1.051 309 K CA 1.363 57.584 56.287 -0.111 0.000 0.960 309 K CB -0.217 32.211 32.500 -0.120 0.000 0.743 309 K HN 0.422 nan 8.250 nan 0.000 0.458 310 L N 0.456 121.701 121.223 0.038 0.000 2.007 310 L HA -0.073 4.266 4.340 -0.001 0.000 0.205 310 L C 1.689 178.613 176.870 0.091 0.000 1.073 310 L CA 1.510 56.403 54.840 0.089 0.000 0.744 310 L CB -0.562 41.585 42.059 0.147 0.000 0.898 310 L HN 0.099 nan 8.230 nan 0.000 0.435 311 I N 0.018 120.641 120.570 0.088 0.000 2.145 311 I HA -0.389 3.780 4.170 -0.001 0.000 0.244 311 I C 2.596 178.776 176.117 0.105 0.000 1.075 311 I CA 1.990 63.357 61.300 0.111 0.000 1.332 311 I CB -1.443 36.608 38.000 0.084 0.000 1.033 311 I HN 0.598 nan 8.210 nan 0.000 0.410 312 Q N 0.562 120.386 119.800 0.040 0.000 2.050 312 Q HA -0.251 4.089 4.340 -0.001 0.000 0.202 312 Q C 2.378 178.406 176.000 0.046 0.000 0.980 312 Q CA 1.827 57.635 55.803 0.009 0.000 0.840 312 Q CB -0.250 28.433 28.738 -0.091 0.000 0.898 312 Q HN 0.400 nan 8.270 nan 0.000 0.424 313 L N 0.589 121.841 121.223 0.048 0.000 2.013 313 L HA -0.206 4.134 4.340 -0.001 0.000 0.212 313 L C 2.203 179.120 176.870 0.078 0.000 1.073 313 L CA 2.019 56.886 54.840 0.045 0.000 0.753 313 L CB -0.530 41.450 42.059 -0.131 0.000 0.890 313 L HN 0.383 nan 8.230 nan 0.000 0.432 314 M N -0.679 119.048 119.600 0.212 0.000 2.159 314 M HA -0.192 4.287 4.480 -0.001 0.000 0.263 314 M C 1.912 178.420 176.300 0.347 0.000 1.063 314 M CA 1.593 57.184 55.300 0.485 0.000 1.110 314 M CB -0.630 32.288 32.600 0.529 0.000 1.374 314 M HN 0.347 nan 8.290 nan 0.000 0.411 315 N N 0.905 119.727 118.700 0.203 0.000 2.142 315 N HA -0.164 4.575 4.740 -0.001 0.000 0.186 315 N C 1.505 177.021 175.510 0.010 0.000 1.023 315 N CA 1.622 54.724 53.050 0.086 0.000 0.852 315 N CB -0.366 38.173 38.487 0.087 0.000 0.998 315 N HN 0.609 nan 8.380 nan 0.000 0.424 316 E N -0.380 119.845 120.200 0.042 0.000 2.371 316 E HA 0.012 4.361 4.350 -0.001 0.000 0.194 316 E C -0.136 176.465 176.600 0.002 0.000 1.012 316 E CA 0.368 56.780 56.400 0.020 0.000 0.860 316 E CB -0.211 29.515 29.700 0.045 0.000 0.811 316 E HN -0.071 nan 8.360 nan 0.000 0.502 317 T N 1.851 116.409 114.554 0.007 0.000 2.870 317 T HA 0.200 4.549 4.350 -0.001 0.000 0.300 317 T C -0.244 174.426 174.700 -0.050 0.000 0.989 317 T CA -0.400 61.653 62.100 -0.080 0.000 1.139 317 T CB 1.872 70.562 68.868 -0.298 0.000 0.920 317 T HN 0.013 nan 8.240 nan 0.000 0.537 318 V N 2.899 122.787 119.914 -0.045 0.000 2.863 318 V HA 0.132 4.251 4.120 -0.001 0.000 0.307 318 V C 1.041 177.217 176.094 0.136 0.000 1.061 318 V CA -0.359 61.959 62.300 0.030 0.000 1.024 318 V CB 1.472 33.298 31.823 0.005 0.000 1.049 318 V HN 0.875 nan 8.190 nan 0.000 0.471 319 D N 3.417 123.923 120.400 0.176 0.000 2.157 319 D HA -0.174 4.466 4.640 -0.001 0.000 0.191 319 D C 1.901 178.300 176.300 0.165 0.000 1.004 319 D CA 1.974 56.111 54.000 0.228 0.000 0.854 319 D CB -0.538 40.342 40.800 0.133 0.000 0.936 319 D HN 0.782 nan 8.370 nan 0.000 0.446 320 G N 0.822 109.662 108.800 0.067 0.000 2.440 320 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.218 320 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.218 320 G C 1.301 176.154 174.900 -0.078 0.000 1.154 320 G CA 1.126 46.233 45.100 0.012 0.000 0.767 320 G HN 0.177 nan 8.290 nan 0.000 0.552 321 D N 0.075 120.379 120.400 -0.161 0.000 2.097 321 D HA -0.114 4.526 4.640 -0.001 0.000 0.195 321 D C 2.169 177.967 176.300 -0.835 0.000 0.989 321 D CA 0.895 54.603 54.000 -0.487 0.000 0.827 321 D CB -0.478 40.086 40.800 -0.394 0.000 0.966 321 D HN 0.369 nan 8.370 nan 0.000 0.456 322 Y N 1.403 121.568 120.300 -0.225 0.000 2.207 322 Y HA -0.167 4.382 4.550 -0.001 0.000 0.287 322 Y C 2.580 178.516 175.900 0.060 0.000 1.156 322 Y CA 1.007 59.173 58.100 0.111 0.000 1.182 322 Y CB -0.289 38.364 38.460 0.322 0.000 0.979 322 Y HN -0.018 nan 8.280 nan 0.000 0.521 323 Q N -0.846 119.048 119.800 0.157 0.000 2.123 323 Q HA -0.116 4.223 4.340 -0.001 0.000 0.199 323 Q C 2.294 178.322 176.000 0.047 0.000 0.966 323 Q CA 1.606 57.481 55.803 0.121 0.000 0.845 323 Q CB -0.821 27.973 28.738 0.094 0.000 0.907 323 Q HN 0.423 nan 8.270 nan 0.000 0.439 324 T N 1.320 115.811 114.554 -0.104 0.000 2.684 324 T HA -0.130 4.219 4.350 -0.001 0.000 0.267 324 T C 1.528 176.215 174.700 -0.021 0.000 1.036 324 T CA 1.297 63.316 62.100 -0.135 0.000 1.148 324 T CB -0.296 68.427 68.868 -0.242 0.000 0.863 324 T HN 0.132 nan 8.240 nan 0.000 0.436 325 F N 1.843 121.915 119.950 0.204 0.000 2.065 325 F HA -0.057 4.470 4.527 -0.001 0.000 0.298 325 F C 2.209 178.197 175.800 0.312 0.000 1.112 325 F CA 0.766 58.928 58.000 0.270 0.000 1.212 325 F CB -0.808 38.359 39.000 0.278 0.000 0.975 325 F HN -0.014 nan 8.300 nan 0.000 0.476 326 K N 0.708 121.367 120.400 0.433 0.000 2.633 326 K HA -0.038 4.281 4.320 -0.001 0.000 0.193 326 K C 1.460 178.297 176.600 0.395 0.000 1.033 326 K CA 1.051 57.537 56.287 0.332 0.000 0.980 326 K CB -0.837 31.772 32.500 0.182 0.000 0.800 326 K HN 0.464 nan 8.250 nan 0.000 0.493 327 S N -1.887 114.001 115.700 0.313 0.000 2.666 327 S HA 0.199 4.668 4.470 -0.001 0.000 0.239 327 S C 0.991 175.625 174.600 0.057 0.000 1.031 327 S CA -0.518 57.786 58.200 0.173 0.000 1.015 327 S CB 0.727 63.962 63.200 0.058 0.000 0.981 327 S HN -0.075 nan 8.310 nan 0.000 0.547 328 K N 2.124 122.558 120.400 0.055 0.000 3.861 328 K HA 0.441 4.760 4.320 -0.001 0.000 0.225 328 K C -0.117 176.242 176.600 -0.402 0.000 1.097 328 K CA 0.184 56.351 56.287 -0.200 0.000 1.792 328 K CB -0.313 31.951 32.500 -0.392 0.000 2.642 328 K HN 0.579 nan 8.250 nan 0.000 0.702 329 D N -3.022 117.096 120.400 -0.469 0.000 2.692 329 D HA 0.115 4.754 4.640 -0.001 0.000 0.290 329 D C 0.913 177.041 176.300 -0.286 0.000 1.281 329 D CA -0.162 53.163 54.000 -1.125 0.000 0.804 329 D CB 0.333 40.707 40.800 -0.711 0.000 1.331 329 D HN 0.328 nan 8.370 nan 0.000 0.432 330 G N 0.260 108.980 108.800 -0.133 0.000 2.503 330 G HA2 -0.204 3.756 3.960 -0.001 0.000 0.221 330 G HA3 -0.204 3.756 3.960 -0.001 0.000 0.221 330 G C 1.425 176.427 174.900 0.169 0.000 1.131 330 G CA 2.378 47.636 45.100 0.264 0.000 0.756 330 G HN 0.754 nan 8.290 nan 0.000 0.572 331 A N 0.358 123.210 122.820 0.054 0.000 1.849 331 A HA -0.161 4.158 4.320 -0.001 0.000 0.217 331 A C 2.250 179.898 177.584 0.106 0.000 1.202 331 A CA 1.844 53.921 52.037 0.066 0.000 0.629 331 A CB -1.007 18.003 19.000 0.018 0.000 0.834 331 A HN 0.527 nan 8.150 nan 0.000 0.447 332 Y N 0.106 120.369 120.300 -0.062 0.000 2.569 332 Y HA -0.068 4.481 4.550 -0.001 0.000 0.293 332 Y C 2.050 177.943 175.900 -0.012 0.000 1.144 332 Y CA 1.353 59.350 58.100 -0.170 0.000 1.321 332 Y CB -0.015 38.318 38.460 -0.212 0.000 0.982 332 Y HN 0.054 nan 8.280 nan 0.000 0.558 333 V N 0.808 120.889 119.914 0.279 0.000 2.575 333 V HA -0.164 3.955 4.120 -0.001 0.000 0.242 333 V C 2.214 178.452 176.094 0.240 0.000 1.045 333 V CA 1.669 64.102 62.300 0.221 0.000 1.065 333 V CB -0.308 31.687 31.823 0.286 0.000 0.717 333 V HN 0.431 nan 8.190 nan 0.000 0.467 334 R N 0.213 120.888 120.500 0.292 0.000 2.328 334 R HA -0.032 4.307 4.340 -0.001 0.000 0.207 334 R C 1.758 178.180 176.300 0.204 0.000 1.056 334 R CA 1.402 57.690 56.100 0.314 0.000 1.016 334 R CB -0.076 30.323 30.300 0.165 0.000 0.872 334 R HN 0.431 nan 8.270 nan 0.000 0.471 335 E N 0.442 120.739 120.200 0.162 0.000 2.288 335 E HA 0.028 4.377 4.350 -0.001 0.000 0.200 335 E C 0.888 177.563 176.600 0.126 0.000 0.880 335 E CA 0.333 56.817 56.400 0.141 0.000 0.971 335 E CB 0.268 30.086 29.700 0.197 0.000 0.954 335 E HN 0.595 nan 8.360 nan 0.000 0.489 336 H N -1.492 117.477 119.070 -0.169 0.000 2.524 336 H HA 0.090 4.645 4.556 -0.001 0.000 0.280 336 H C 0.669 175.988 175.328 -0.014 0.000 1.018 336 H CA 0.072 56.030 56.048 -0.150 0.000 1.165 336 H CB 0.651 30.175 29.762 -0.397 0.000 1.411 336 H HN 0.115 nan 8.280 nan 0.000 0.569 337 F N -1.166 118.660 119.950 -0.207 0.000 1.832 337 F HA 0.058 4.584 4.527 -0.001 0.000 0.236 337 F C 0.841 176.466 175.800 -0.292 0.000 1.180 337 F CA -0.282 57.454 58.000 -0.439 0.000 1.297 337 F CB -0.338 38.069 39.000 -0.988 0.000 1.748 337 F HN -0.177 nan 8.300 nan 0.000 0.453 338 F N 1.768 121.702 119.950 -0.027 0.000 2.234 338 F HA 0.181 4.707 4.527 -0.001 0.000 0.299 338 F C 2.186 177.893 175.800 -0.156 0.000 1.087 338 F CA 1.319 59.255 58.000 -0.107 0.000 1.340 338 F CB -1.009 37.983 39.000 -0.014 0.000 1.031 338 F HN 0.141 nan 8.300 nan 0.000 0.500 339 G N -0.373 108.461 108.800 0.056 0.000 3.401 339 G HA2 0.130 4.089 3.960 -0.001 0.000 0.251 339 G HA3 0.130 4.089 3.960 -0.001 0.000 0.251 339 G C 1.115 175.910 174.900 -0.174 0.000 0.960 339 G CA -0.000 45.078 45.100 -0.036 0.000 1.900 339 G HN 0.148 nan 8.290 nan 0.000 0.645 340 K N -0.210 120.012 120.400 -0.296 0.000 2.380 340 K HA 0.275 4.595 4.320 -0.001 0.000 0.200 340 K C -0.620 175.504 176.600 -0.792 0.000 1.201 340 K CA 0.326 56.243 56.287 -0.617 0.000 0.916 340 K CB 0.502 32.488 32.500 -0.857 0.000 1.187 340 K HN 0.236 nan 8.250 nan 0.000 0.498 341 Y N -0.173 120.079 120.300 -0.081 0.000 2.406 341 Y HA 0.339 4.888 4.550 -0.001 0.000 0.340 341 Y C -2.085 173.790 175.900 -0.041 0.000 0.975 341 Y CA -2.785 55.279 58.100 -0.059 0.000 1.056 341 Y CB 1.937 40.358 38.460 -0.064 0.000 1.210 341 Y HN -0.080 nan 8.280 nan 0.000 0.448 342 P HA -0.163 nan 4.420 nan 0.000 0.218 342 P C 0.505 177.835 177.300 0.049 0.000 1.146 342 P CA 1.683 64.814 63.100 0.052 0.000 0.813 342 P CB 0.448 32.171 31.700 0.039 0.000 0.778 343 E N -1.541 118.705 120.200 0.077 0.000 2.158 343 E HA -0.098 4.251 4.350 -0.001 0.000 0.191 343 E C 1.975 178.604 176.600 0.048 0.000 0.982 343 E CA 1.616 58.042 56.400 0.043 0.000 0.823 343 E CB -0.983 28.731 29.700 0.024 0.000 0.766 343 E HN 0.396 nan 8.360 nan 0.000 0.468 344 T N -1.017 113.600 114.554 0.105 0.000 2.781 344 T HA 0.071 4.420 4.350 -0.001 0.000 0.252 344 T C 2.193 176.939 174.700 0.076 0.000 1.039 344 T CA 0.722 62.900 62.100 0.131 0.000 1.147 344 T CB -0.532 68.445 68.868 0.182 0.000 0.865 344 T HN 0.119 nan 8.240 nan 0.000 0.423 345 A N 1.760 124.616 122.820 0.060 0.000 2.084 345 A HA 0.267 4.586 4.320 -0.001 0.000 0.221 345 A C 2.614 180.138 177.584 -0.100 0.000 1.161 345 A CA 1.792 53.824 52.037 -0.007 0.000 0.653 345 A CB -1.206 17.797 19.000 0.005 0.000 0.802 345 A HN 0.794 nan 8.150 nan 0.000 0.457 346 A N -0.743 122.036 122.820 -0.068 0.000 2.072 346 A HA 0.216 4.536 4.320 -0.001 0.000 0.216 346 A C 1.992 179.497 177.584 -0.132 0.000 1.156 346 A CA 0.911 52.902 52.037 -0.077 0.000 0.701 346 A CB -0.369 18.612 19.000 -0.032 0.000 0.816 346 A HN 0.451 nan 8.150 nan 0.000 0.458 347 L N -0.139 120.971 121.223 -0.188 0.000 2.141 347 L HA -0.092 4.248 4.340 -0.001 0.000 0.209 347 L C 1.847 178.406 176.870 -0.519 0.000 1.094 347 L CA 1.236 55.920 54.840 -0.259 0.000 0.763 347 L CB -0.122 41.803 42.059 -0.225 0.000 0.908 347 L HN 0.398 nan 8.230 nan 0.000 0.437 348 V N -4.413 115.059 119.914 -0.736 0.000 3.249 348 V HA 0.393 4.512 4.120 -0.001 0.000 0.338 348 V C 1.836 177.717 176.094 -0.355 0.000 1.363 348 V CA 0.342 62.039 62.300 -1.005 0.000 1.205 348 V CB -0.427 30.529 31.823 -1.447 0.000 1.164 348 V HN 0.177 nan 8.190 nan 0.000 0.458 349 A N 1.050 123.759 122.820 -0.185 0.000 1.865 349 A HA -0.133 4.187 4.320 -0.001 0.000 0.217 349 A C 1.318 178.930 177.584 0.047 0.000 1.191 349 A CA 1.930 53.936 52.037 -0.051 0.000 0.623 349 A CB -0.521 18.459 19.000 -0.032 0.000 0.826 349 A HN 0.588 nan 8.150 nan 0.000 0.444 350 D N -1.173 119.303 120.400 0.127 0.000 2.845 350 D HA 0.330 4.969 4.640 -0.001 0.000 0.235 350 D C -1.239 175.259 176.300 0.329 0.000 1.158 350 D CA 0.265 54.367 54.000 0.172 0.000 0.990 350 D CB -0.320 40.556 40.800 0.128 0.000 1.094 350 D HN 0.441 nan 8.370 nan 0.000 0.486 351 W N 0.097 121.340 121.300 -0.095 0.000 3.217 351 W HA 0.194 4.853 4.660 -0.001 0.000 0.323 351 W C -0.075 176.402 176.519 -0.070 0.000 1.216 351 W CA -0.945 56.339 57.345 -0.101 0.000 1.194 351 W CB 0.921 30.279 29.460 -0.169 0.000 1.397 351 W HN -0.213 nan 8.180 nan 0.000 0.537 352 T N -1.591 113.032 114.554 0.116 0.000 2.889 352 T HA 0.196 4.545 4.350 -0.001 0.000 0.291 352 T C 0.496 175.279 174.700 0.137 0.000 0.995 352 T CA -0.375 61.773 62.100 0.082 0.000 1.092 352 T CB 1.362 70.238 68.868 0.014 0.000 0.954 352 T HN 0.329 nan 8.240 nan 0.000 0.506 353 D N 1.364 121.832 120.400 0.113 0.000 2.315 353 D HA -0.085 4.554 4.640 -0.001 0.000 0.211 353 D C 1.613 178.019 176.300 0.177 0.000 0.977 353 D CA 1.178 55.260 54.000 0.136 0.000 0.894 353 D CB 0.006 40.848 40.800 0.071 0.000 0.910 353 D HN 0.720 nan 8.370 nan 0.000 0.490 354 E N -0.047 120.233 120.200 0.134 0.000 2.122 354 E HA -0.027 4.323 4.350 -0.001 0.000 0.190 354 E C 1.832 178.537 176.600 0.175 0.000 0.977 354 E CA 0.560 57.054 56.400 0.156 0.000 0.820 354 E CB -0.034 29.712 29.700 0.076 0.000 0.770 354 E HN 0.307 nan 8.360 nan 0.000 0.462 355 Q N -0.232 119.633 119.800 0.108 0.000 2.369 355 Q HA 0.019 4.358 4.340 -0.001 0.000 0.206 355 Q C 1.812 177.969 176.000 0.261 0.000 0.963 355 Q CA 0.602 56.423 55.803 0.029 0.000 0.894 355 Q CB 0.166 28.764 28.738 -0.234 0.000 0.965 355 Q HN 0.319 nan 8.270 nan 0.000 0.475 356 I N -0.816 119.981 120.570 0.378 0.000 2.339 356 I HA -0.183 3.986 4.170 -0.001 0.000 0.245 356 I C 1.907 178.229 176.117 0.341 0.000 1.096 356 I CA 0.536 62.076 61.300 0.400 0.000 1.408 356 I CB -0.158 38.052 38.000 0.350 0.000 1.092 356 I HN 0.461 nan 8.210 nan 0.000 0.423 357 W N 1.629 123.008 121.300 0.131 0.000 2.538 357 W HA -0.160 4.500 4.660 -0.001 0.000 0.254 357 W C 2.079 178.656 176.519 0.096 0.000 1.249 357 W CA 0.999 58.408 57.345 0.107 0.000 1.253 357 W CB 0.266 29.776 29.460 0.083 0.000 1.130 357 W HN 0.146 nan 8.180 nan 0.000 0.618 358 A N 0.347 123.242 122.820 0.126 0.000 2.067 358 A HA 0.033 4.353 4.320 -0.001 0.000 0.217 358 A C 1.035 178.616 177.584 -0.004 0.000 1.156 358 A CA 0.235 52.287 52.037 0.026 0.000 0.683 358 A CB -0.711 18.308 19.000 0.031 0.000 0.808 358 A HN 0.137 nan 8.150 nan 0.000 0.455 359 L N 1.426 122.638 121.223 -0.017 0.000 2.540 359 L HA 0.053 4.392 4.340 -0.001 0.000 0.276 359 L C 0.219 177.192 176.870 0.171 0.000 1.212 359 L CA -0.141 54.650 54.840 -0.082 0.000 0.893 359 L CB -0.013 41.755 42.059 -0.484 0.000 1.138 359 L HN 0.313 nan 8.230 nan 0.000 0.491 360 N N 2.454 121.385 118.700 0.384 0.000 2.453 360 N HA 0.437 5.176 4.740 -0.001 0.000 0.290 360 N C -0.773 175.050 175.510 0.522 0.000 1.250 360 N CA -0.781 52.482 53.050 0.355 0.000 0.815 360 N CB 1.603 40.214 38.487 0.206 0.000 1.381 360 N HN 0.374 nan 8.380 nan 0.000 0.510 361 R N -0.517 120.138 120.500 0.257 0.000 2.490 361 R HA 0.298 4.637 4.340 -0.001 0.000 0.278 361 R C 1.335 177.642 176.300 0.012 0.000 1.069 361 R CA -0.108 56.006 56.100 0.023 0.000 1.080 361 R CB 0.418 30.487 30.300 -0.386 0.000 1.030 361 R HN 0.754 nan 8.270 nan 0.000 0.491 362 G N 1.652 110.391 108.800 -0.100 0.000 2.475 362 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.220 362 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.220 362 G C 1.287 176.114 174.900 -0.122 0.000 1.125 362 G CA 0.880 45.932 45.100 -0.080 0.000 0.755 362 G HN 0.760 nan 8.290 nan 0.000 0.565 363 G N -1.106 107.555 108.800 -0.232 0.000 2.625 363 G HA2 -0.079 3.880 3.960 -0.001 0.000 0.214 363 G HA3 -0.079 3.880 3.960 -0.001 0.000 0.214 363 G C 1.302 175.917 174.900 -0.475 0.000 1.132 363 G CA 0.532 45.433 45.100 -0.331 0.000 0.782 363 G HN 0.559 nan 8.290 nan 0.000 0.538 364 H N -0.760 118.209 119.070 -0.168 0.000 2.652 364 H HA 0.116 4.671 4.556 -0.001 0.000 0.274 364 H C -0.384 174.891 175.328 -0.088 0.000 1.021 364 H CA -0.129 55.792 56.048 -0.211 0.000 1.187 364 H CB 1.025 30.568 29.762 -0.364 0.000 1.505 364 H HN 0.245 nan 8.280 nan 0.000 0.530 365 D N 1.273 121.689 120.400 0.027 0.000 2.392 365 D HA 0.140 4.780 4.640 -0.001 0.000 0.228 365 D C -1.901 174.399 176.300 0.000 0.000 1.074 365 D CA -2.260 51.760 54.000 0.033 0.000 0.838 365 D CB 2.245 43.087 40.800 0.070 0.000 1.067 365 D HN -0.015 nan 8.370 nan 0.000 0.511 366 P HA -0.123 nan 4.420 nan 0.000 0.218 366 P C 1.056 178.319 177.300 -0.061 0.000 1.148 366 P CA 1.127 64.175 63.100 -0.087 0.000 0.822 366 P CB 0.412 31.927 31.700 -0.308 0.000 0.784 367 K N -0.276 120.048 120.400 -0.127 0.000 2.057 367 K HA -0.092 4.228 4.320 -0.001 0.000 0.206 367 K C 1.848 178.558 176.600 0.185 0.000 1.050 367 K CA 1.074 57.392 56.287 0.051 0.000 0.935 367 K CB -0.244 32.266 32.500 0.017 0.000 0.715 367 K HN 0.087 nan 8.250 nan 0.000 0.439 368 K N 1.032 121.500 120.400 0.114 0.000 2.103 368 K HA -0.022 4.297 4.320 -0.001 0.000 0.204 368 K C 2.131 178.794 176.600 0.106 0.000 1.052 368 K CA 0.989 57.334 56.287 0.096 0.000 0.945 368 K CB -0.305 32.225 32.500 0.050 0.000 0.722 368 K HN 0.176 nan 8.250 nan 0.000 0.443 369 I N -0.071 120.584 120.570 0.142 0.000 2.202 369 I HA -0.292 3.878 4.170 -0.001 0.000 0.242 369 I C 2.404 178.726 176.117 0.342 0.000 1.091 369 I CA 1.109 62.531 61.300 0.203 0.000 1.368 369 I CB -0.379 37.741 38.000 0.200 0.000 1.058 369 I HN 0.012 nan 8.210 nan 0.000 0.410 370 Y N 1.851 122.340 120.300 0.314 0.000 2.128 370 Y HA -0.348 4.201 4.550 -0.001 0.000 0.284 370 Y C 2.522 178.606 175.900 0.307 0.000 1.154 370 Y CA 1.517 59.865 58.100 0.414 0.000 1.149 370 Y CB -0.489 38.260 38.460 0.482 0.000 0.976 370 Y HN 0.138 nan 8.280 nan 0.000 0.505 371 A N 0.551 123.508 122.820 0.228 0.000 1.917 371 A HA -0.210 4.109 4.320 -0.001 0.000 0.219 371 A C 2.461 180.009 177.584 -0.060 0.000 1.182 371 A CA 2.345 54.425 52.037 0.073 0.000 0.633 371 A CB -1.624 17.445 19.000 0.114 0.000 0.819 371 A HN 0.654 nan 8.150 nan 0.000 0.448 372 A N -1.151 121.617 122.820 -0.086 0.000 1.858 372 A HA -0.038 4.281 4.320 -0.001 0.000 0.216 372 A C 1.997 179.356 177.584 -0.375 0.000 1.190 372 A CA 1.615 53.506 52.037 -0.244 0.000 0.617 372 A CB -0.854 17.947 19.000 -0.331 0.000 0.827 372 A HN 0.484 nan 8.150 nan 0.000 0.443 373 F N -0.068 119.662 119.950 -0.366 0.000 2.216 373 F HA -0.117 4.409 4.527 -0.001 0.000 0.300 373 F C 2.304 177.805 175.800 -0.498 0.000 1.085 373 F CA 1.788 59.407 58.000 -0.636 0.000 1.326 373 F CB -0.059 38.139 39.000 -1.335 0.000 1.027 373 F HN 0.160 nan 8.300 nan 0.000 0.497 374 K N 1.165 121.473 120.400 -0.154 0.000 2.057 374 K HA -0.163 4.156 4.320 -0.001 0.000 0.206 374 K C 2.006 178.585 176.600 -0.034 0.000 1.050 374 K CA 1.444 57.721 56.287 -0.016 0.000 0.935 374 K CB -0.324 32.023 32.500 -0.255 0.000 0.715 374 K HN 0.084 nan 8.250 nan 0.000 0.439 375 K N -0.324 120.022 120.400 -0.090 0.000 2.097 375 K HA -0.084 4.235 4.320 -0.001 0.000 0.206 375 K C 1.894 178.436 176.600 -0.096 0.000 1.049 375 K CA 1.262 57.501 56.287 -0.079 0.000 0.933 375 K CB -0.260 32.184 32.500 -0.093 0.000 0.717 375 K HN 0.194 nan 8.250 nan 0.000 0.442 376 A N 1.152 123.883 122.820 -0.148 0.000 1.877 376 A HA -0.245 4.074 4.320 -0.001 0.000 0.216 376 A C 2.092 179.625 177.584 -0.085 0.000 1.186 376 A CA 1.701 53.646 52.037 -0.154 0.000 0.620 376 A CB -0.698 18.160 19.000 -0.236 0.000 0.822 376 A HN 0.552 nan 8.150 nan 0.000 0.443 377 Q N -0.434 119.357 119.800 -0.014 0.000 2.181 377 Q HA -0.230 4.109 4.340 -0.001 0.000 0.205 377 Q C 1.755 177.767 176.000 0.020 0.000 0.980 377 Q CA 1.871 57.708 55.803 0.057 0.000 0.862 377 Q CB -0.097 28.767 28.738 0.210 0.000 0.905 377 Q HN 0.827 nan 8.270 nan 0.000 0.429 378 E N -0.417 119.784 120.200 0.002 0.000 2.230 378 E HA -0.005 4.345 4.350 -0.001 0.000 0.192 378 E C 0.159 176.739 176.600 -0.033 0.000 0.987 378 E CA 0.477 56.872 56.400 -0.008 0.000 0.841 378 E CB 0.188 29.885 29.700 -0.006 0.000 0.783 378 E HN 0.153 nan 8.360 nan 0.000 0.481 379 T N 2.516 117.037 114.554 -0.056 0.000 2.902 379 T HA 0.085 4.435 4.350 -0.001 0.000 0.301 379 T C 0.106 174.755 174.700 -0.086 0.000 1.012 379 T CA 0.255 62.310 62.100 -0.075 0.000 1.151 379 T CB 0.546 69.356 68.868 -0.097 0.000 0.946 379 T HN -0.110 nan 8.240 nan 0.000 0.542 380 K N 1.245 121.597 120.400 -0.080 0.000 2.385 380 K HA 0.610 4.929 4.320 -0.001 0.000 0.248 380 K C 1.090 177.632 176.600 -0.096 0.000 0.955 380 K CA -0.490 55.747 56.287 -0.084 0.000 0.816 380 K CB 1.856 34.320 32.500 -0.059 0.000 1.250 380 K HN 0.760 nan 8.250 nan 0.000 0.434 381 G N 1.233 109.969 108.800 -0.107 0.000 2.241 381 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.244 381 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.244 381 G C -0.095 174.711 174.900 -0.156 0.000 0.998 381 G CA 0.922 45.955 45.100 -0.112 0.000 0.621 381 G HN 0.630 nan 8.290 nan 0.000 0.519 382 K N -0.933 119.346 120.400 -0.202 0.000 2.579 382 K HA 0.806 5.125 4.320 -0.001 0.000 0.284 382 K C -0.296 176.061 176.600 -0.406 0.000 0.990 382 K CA -0.412 55.695 56.287 -0.299 0.000 0.880 382 K CB 1.110 33.473 32.500 -0.229 0.000 1.488 382 K HN 1.185 nan 8.250 nan 0.000 0.425 383 A N 0.847 123.245 122.820 -0.704 0.000 2.286 383 A HA 0.593 4.912 4.320 -0.001 0.000 0.286 383 A C -0.527 176.745 177.584 -0.521 0.000 1.097 383 A CA -0.301 51.221 52.037 -0.859 0.000 0.821 383 A CB 0.726 18.657 19.000 -1.782 0.000 1.076 383 A HN 0.613 nan 8.150 nan 0.000 0.490 384 T N 0.341 114.720 114.554 -0.291 0.000 2.856 384 T HA 0.525 4.874 4.350 -0.001 0.000 0.283 384 T C -0.916 173.858 174.700 0.125 0.000 1.008 384 T CA -0.348 61.722 62.100 -0.051 0.000 0.997 384 T CB 1.432 70.213 68.868 -0.146 0.000 0.992 384 T HN 0.990 nan 8.240 nan 0.000 0.454 385 V N 4.552 124.520 119.914 0.089 0.000 2.487 385 V HA 0.644 4.763 4.120 -0.001 0.000 0.298 385 V C -1.163 174.769 176.094 -0.269 0.000 1.028 385 V CA -0.901 61.322 62.300 -0.127 0.000 0.860 385 V CB 1.050 32.519 31.823 -0.590 0.000 0.991 385 V HN 0.855 nan 8.190 nan 0.000 0.427 386 I N 7.493 127.863 120.570 -0.333 0.000 2.330 386 I HA 0.387 4.556 4.170 -0.001 0.000 0.289 386 I C -0.508 175.393 176.117 -0.360 0.000 1.001 386 I CA -0.462 60.605 61.300 -0.389 0.000 1.193 386 I CB 1.572 39.235 38.000 -0.562 0.000 1.345 386 I HN 0.435 nan 8.210 nan 0.000 0.461 387 L N 6.990 128.016 121.223 -0.328 0.000 2.270 387 L HA 0.531 4.870 4.340 -0.001 0.000 0.286 387 L C 0.384 177.081 176.870 -0.289 0.000 1.059 387 L CA -0.428 54.231 54.840 -0.303 0.000 0.839 387 L CB 0.917 42.800 42.059 -0.294 0.000 1.221 387 L HN 0.615 nan 8.230 nan 0.000 0.431 388 A N 2.946 125.616 122.820 -0.251 0.000 2.252 388 A HA 0.247 4.566 4.320 -0.001 0.000 0.309 388 A C -0.423 177.052 177.584 -0.180 0.000 1.285 388 A CA -0.368 51.536 52.037 -0.222 0.000 0.900 388 A CB -0.044 18.838 19.000 -0.195 0.000 1.157 388 A HN 0.791 nan 8.150 nan 0.000 0.536 389 H N 2.997 121.853 119.070 -0.358 0.000 2.723 389 H HA 0.409 4.965 4.556 -0.001 0.000 0.294 389 H C 0.284 175.425 175.328 -0.311 0.000 1.079 389 H CA 0.561 56.382 56.048 -0.378 0.000 1.411 389 H CB 0.535 29.939 29.762 -0.596 0.000 1.439 389 H HN 0.802 nan 8.280 nan 0.000 0.474 390 T N 2.299 116.729 114.554 -0.208 0.000 2.831 390 T HA 0.469 4.818 4.350 -0.001 0.000 0.287 390 T C -0.286 174.408 174.700 -0.009 0.000 1.070 390 T CA -0.992 60.968 62.100 -0.233 0.000 1.010 390 T CB 1.606 70.289 68.868 -0.308 0.000 1.264 390 T HN 0.408 nan 8.240 nan 0.000 0.532 391 I N 1.184 121.926 120.570 0.286 0.000 2.355 391 I HA 0.398 4.567 4.170 -0.001 0.000 0.288 391 I C 0.210 176.473 176.117 0.244 0.000 0.999 391 I CA -0.963 60.464 61.300 0.212 0.000 1.163 391 I CB 1.652 39.775 38.000 0.206 0.000 1.316 391 I HN 0.645 nan 8.210 nan 0.000 0.454 392 K N 4.749 125.259 120.400 0.183 0.000 2.412 392 K HA 0.289 4.608 4.320 -0.001 0.000 0.281 392 K C 1.039 177.764 176.600 0.210 0.000 1.027 392 K CA 0.843 57.244 56.287 0.189 0.000 0.989 392 K CB 0.508 33.103 32.500 0.158 0.000 0.935 392 K HN 0.892 nan 8.250 nan 0.000 0.475 393 G N 3.170 112.109 108.800 0.232 0.000 2.160 393 G HA2 -0.324 3.635 3.960 -0.001 0.000 0.251 393 G HA3 -0.324 3.635 3.960 -0.001 0.000 0.251 393 G C -0.306 174.744 174.900 0.250 0.000 1.008 393 G CA 0.326 45.559 45.100 0.221 0.000 0.724 393 G HN 0.753 nan 8.290 nan 0.000 0.514 394 Y N 0.625 121.020 120.300 0.157 0.000 2.881 394 Y HA 0.257 4.806 4.550 -0.001 0.000 0.335 394 Y C 1.617 177.666 175.900 0.248 0.000 1.263 394 Y CA 1.347 59.523 58.100 0.127 0.000 1.572 394 Y CB 0.200 38.719 38.460 0.099 0.000 1.237 394 Y HN 1.513 nan 8.280 nan 0.000 0.568 395 G N 5.185 113.801 108.800 -0.307 0.000 2.175 395 G HA2 -0.353 3.606 3.960 -0.001 0.000 0.265 395 G HA3 -0.353 3.606 3.960 -0.001 0.000 0.265 395 G C 0.712 175.746 174.900 0.222 0.000 0.979 395 G CA 0.651 45.637 45.100 -0.189 0.000 0.663 395 G HN 0.691 nan 8.290 nan 0.000 0.533 396 M N 0.548 120.266 119.600 0.197 0.000 2.495 396 M HA 0.316 4.796 4.480 -0.001 0.000 0.237 396 M C 2.060 178.368 176.300 0.014 0.000 1.131 396 M CA 0.679 56.099 55.300 0.200 0.000 1.032 396 M CB -0.021 32.679 32.600 0.168 0.000 1.513 396 M HN 0.822 nan 8.290 nan 0.000 0.488 397 G N 2.470 111.242 108.800 -0.046 0.000 2.596 397 G HA2 -0.426 3.533 3.960 -0.001 0.000 0.334 397 G HA3 -0.426 3.533 3.960 -0.001 0.000 0.334 397 G C 0.564 175.375 174.900 -0.149 0.000 1.351 397 G CA 0.750 45.714 45.100 -0.227 0.000 0.965 397 G HN 0.612 nan 8.290 nan 0.000 0.533 398 D N 0.324 120.602 120.400 -0.204 0.000 3.866 398 D HA -0.337 4.303 4.640 -0.001 0.000 0.210 398 D C 2.256 178.530 176.300 -0.043 0.000 1.279 398 D CA 3.753 57.691 54.000 -0.103 0.000 0.868 398 D CB -1.179 39.551 40.800 -0.117 0.000 0.938 398 D HN 1.457 nan 8.370 nan 0.000 0.571 399 A N 2.596 125.395 122.820 -0.035 0.000 1.994 399 A HA 0.351 4.671 4.320 -0.001 0.000 0.202 399 A C 1.712 179.317 177.584 0.035 0.000 1.286 399 A CA 1.899 53.941 52.037 0.009 0.000 0.653 399 A CB -1.173 17.842 19.000 0.025 0.000 0.926 399 A HN 0.671 nan 8.150 nan 0.000 0.494 415 D N 0.504 120.940 120.400 0.060 0.000 2.162 415 D HA 0.134 4.773 4.640 -0.001 0.000 0.203 415 D C 1.948 178.311 176.300 0.105 0.000 0.967 415 D CA 1.803 55.846 54.000 0.073 0.000 0.840 415 D CB 0.082 40.911 40.800 0.049 0.000 0.972 415 D HN 0.494 nan 8.370 nan 0.000 0.482 416 G N 0.225 109.078 108.800 0.088 0.000 2.408 416 G HA2 -0.167 3.792 3.960 -0.001 0.000 0.217 416 G HA3 -0.167 3.792 3.960 -0.001 0.000 0.217 416 G C 1.745 176.752 174.900 0.179 0.000 1.150 416 G CA 0.573 45.741 45.100 0.113 0.000 0.776 416 G HN 0.209 nan 8.290 nan 0.000 0.542 417 V N 0.803 120.803 119.914 0.142 0.000 2.358 417 V HA -0.115 4.004 4.120 -0.001 0.000 0.246 417 V C 2.975 179.238 176.094 0.280 0.000 1.047 417 V CA 1.469 63.879 62.300 0.183 0.000 1.035 417 V CB -0.394 31.499 31.823 0.117 0.000 0.658 417 V HN 0.198 nan 8.190 nan 0.000 0.452 418 R N -0.524 120.099 120.500 0.205 0.000 2.081 418 R HA -0.155 4.184 4.340 -0.001 0.000 0.235 418 R C 2.279 178.673 176.300 0.157 0.000 1.131 418 R CA 1.697 57.897 56.100 0.166 0.000 0.960 418 R CB -1.181 29.188 30.300 0.114 0.000 0.856 418 R HN 0.688 nan 8.270 nan 0.000 0.436 419 H N 0.562 119.692 119.070 0.101 0.000 2.319 419 H HA -0.097 4.458 4.556 -0.001 0.000 0.299 419 H C 2.029 177.423 175.328 0.110 0.000 1.092 419 H CA 1.884 57.977 56.048 0.074 0.000 1.302 419 H CB 0.021 29.817 29.762 0.057 0.000 1.373 419 H HN 0.022 nan 8.280 nan 0.000 0.497 420 I N 1.101 121.809 120.570 0.231 0.000 2.163 420 I HA -0.244 3.925 4.170 -0.001 0.000 0.243 420 I C 3.012 179.327 176.117 0.329 0.000 1.085 420 I CA 1.032 62.534 61.300 0.337 0.000 1.347 420 I CB -0.501 37.782 38.000 0.472 0.000 1.044 420 I HN 0.164 nan 8.210 nan 0.000 0.408 421 R N 0.861 121.553 120.500 0.320 0.000 2.083 421 R HA -0.200 4.139 4.340 -0.001 0.000 0.237 421 R C 1.673 177.960 176.300 -0.021 0.000 1.137 421 R CA 2.148 58.295 56.100 0.078 0.000 0.951 421 R CB -0.672 29.617 30.300 -0.019 0.000 0.851 421 R HN 0.364 nan 8.270 nan 0.000 0.434 422 D N -0.261 120.102 120.400 -0.062 0.000 2.103 422 D HA -0.137 4.502 4.640 -0.001 0.000 0.199 422 D C 1.978 178.155 176.300 -0.204 0.000 0.978 422 D CA 0.950 54.877 54.000 -0.122 0.000 0.829 422 D CB -0.370 40.357 40.800 -0.121 0.000 0.981 422 D HN 0.103 nan 8.370 nan 0.000 0.464 423 R N 0.290 120.563 120.500 -0.379 0.000 2.103 423 R HA -0.120 4.220 4.340 -0.001 0.000 0.242 423 R C 1.258 177.174 176.300 -0.639 0.000 1.142 423 R CA 1.289 57.017 56.100 -0.620 0.000 0.960 423 R CB -0.595 29.130 30.300 -0.959 0.000 0.858 423 R HN 0.154 nan 8.270 nan 0.000 0.439 424 F N 0.043 119.956 119.950 -0.062 0.000 2.639 424 F HA 0.320 4.847 4.527 -0.001 0.000 0.302 424 F C -0.177 175.618 175.800 -0.008 0.000 1.097 424 F CA -0.461 57.538 58.000 -0.002 0.000 1.294 424 F CB -0.352 38.688 39.000 0.066 0.000 1.027 424 F HN 0.022 nan 8.300 nan 0.000 0.550 425 N N -0.142 118.588 118.700 0.050 0.000 2.705 425 N HA -0.170 4.570 4.740 -0.001 0.000 0.255 425 N C -0.798 174.714 175.510 0.005 0.000 1.008 425 N CA 0.165 53.220 53.050 0.008 0.000 0.742 425 N CB -1.521 36.975 38.487 0.016 0.000 0.906 425 N HN 0.003 nan 8.380 nan 0.000 0.541 426 V N 0.955 120.840 119.914 -0.049 0.000 2.572 426 V HA 0.200 4.319 4.120 -0.001 0.000 0.291 426 V C -1.207 174.737 176.094 -0.249 0.000 1.039 426 V CA -0.990 61.203 62.300 -0.180 0.000 1.055 426 V CB 0.916 32.472 31.823 -0.445 0.000 0.969 426 V HN 0.191 nan 8.190 nan 0.000 0.482 427 P HA 0.208 nan 4.420 nan 0.000 0.237 427 P C -0.796 176.366 177.300 -0.231 0.000 1.788 427 P CA 0.160 63.174 63.100 -0.144 0.000 1.061 427 P CB 0.222 31.905 31.700 -0.029 0.000 1.967 428 V N 1.890 121.622 119.914 -0.303 0.000 2.569 428 V HA 0.228 4.347 4.120 -0.001 0.000 0.301 428 V C 0.649 176.640 176.094 -0.170 0.000 1.044 428 V CA -0.616 61.512 62.300 -0.287 0.000 0.874 428 V CB 2.076 33.573 31.823 -0.543 0.000 1.002 428 V HN 0.423 nan 8.190 nan 0.000 0.424 429 S N 1.924 117.569 115.700 -0.090 0.000 2.632 429 S HA 0.241 4.710 4.470 -0.001 0.000 0.267 429 S C 0.694 175.275 174.600 -0.030 0.000 1.276 429 S CA -0.415 57.753 58.200 -0.053 0.000 0.998 429 S CB 1.136 64.317 63.200 -0.031 0.000 0.953 429 S HN 0.658 nan 8.310 nan 0.000 0.547 430 D N 1.476 121.865 120.400 -0.018 0.000 2.149 430 D HA -0.056 4.583 4.640 -0.001 0.000 0.198 430 D C 2.123 178.428 176.300 0.008 0.000 0.990 430 D CA 1.795 55.795 54.000 0.000 0.000 0.839 430 D CB -0.723 40.077 40.800 0.001 0.000 0.948 430 D HN 0.722 nan 8.370 nan 0.000 0.460 431 A N 0.508 123.329 122.820 0.002 0.000 1.969 431 A HA -0.151 4.168 4.320 -0.001 0.000 0.218 431 A C 1.646 179.237 177.584 0.011 0.000 1.169 431 A CA 1.488 53.528 52.037 0.006 0.000 0.635 431 A CB -0.088 18.913 19.000 0.002 0.000 0.810 431 A HN 0.046 nan 8.150 nan 0.000 0.445 432 D N -0.990 119.417 120.400 0.012 0.000 2.366 432 D HA 0.077 4.717 4.640 -0.001 0.000 0.205 432 D C 1.679 178.011 176.300 0.054 0.000 1.022 432 D CA 0.029 54.043 54.000 0.024 0.000 0.868 432 D CB -0.079 40.731 40.800 0.017 0.000 0.953 432 D HN 0.464 nan 8.370 nan 0.000 0.514 433 I N 1.295 121.904 120.570 0.065 0.000 2.248 433 I HA -0.308 3.861 4.170 -0.001 0.000 0.248 433 I C 1.293 177.481 176.117 0.118 0.000 1.107 433 I CA 1.484 62.865 61.300 0.135 0.000 1.373 433 I CB 0.249 38.326 38.000 0.127 0.000 1.055 433 I HN -0.143 nan 8.210 nan 0.000 0.418 434 E N 0.569 120.806 120.200 0.062 0.000 2.409 434 E HA -0.178 4.171 4.350 -0.001 0.000 0.198 434 E C 1.572 178.179 176.600 0.011 0.000 1.024 434 E CA 0.691 57.112 56.400 0.035 0.000 0.861 434 E CB -0.026 29.687 29.700 0.021 0.000 0.788 434 E HN 0.464 nan 8.360 nan 0.000 0.521 435 K N 0.326 120.734 120.400 0.014 0.000 2.444 435 K HA 0.175 4.495 4.320 -0.001 0.000 0.193 435 K C -0.069 176.495 176.600 -0.060 0.000 1.024 435 K CA -0.021 56.254 56.287 -0.020 0.000 1.077 435 K CB 0.168 32.661 32.500 -0.012 0.000 0.833 435 K HN 0.026 nan 8.250 nan 0.000 0.517 436 L N 1.369 122.573 121.223 -0.031 0.000 3.739 436 L HA -0.170 4.169 4.340 -0.001 0.000 0.442 436 L C -2.107 174.635 176.870 -0.213 0.000 1.241 436 L CA -0.557 54.210 54.840 -0.121 0.000 0.819 436 L CB -1.578 40.348 42.059 -0.220 0.000 1.679 436 L HN 0.145 nan 8.230 nan 0.000 0.889 437 P HA 0.081 nan 4.420 nan 0.000 0.271 437 P C -0.439 176.888 177.300 0.045 0.000 1.218 437 P CA 0.042 63.116 63.100 -0.043 0.000 0.780 437 P CB 0.595 32.345 31.700 0.084 0.000 0.901 438 Y N 0.876 121.236 120.300 0.100 0.000 2.307 438 Y HA 0.367 4.917 4.550 -0.001 0.000 0.324 438 Y C 1.149 177.164 175.900 0.193 0.000 1.238 438 Y CA -0.374 57.781 58.100 0.090 0.000 1.280 438 Y CB 0.492 38.842 38.460 -0.184 0.000 1.248 438 Y HN 0.173 nan 8.280 nan 0.000 0.508 439 I N 1.480 122.285 120.570 0.392 0.000 2.525 439 I HA 0.507 4.676 4.170 -0.001 0.000 0.301 439 I C -0.170 175.978 176.117 0.052 0.000 0.992 439 I CA -0.521 60.846 61.300 0.111 0.000 1.162 439 I CB 1.918 39.875 38.000 -0.072 0.000 1.332 439 I HN 0.710 nan 8.210 nan 0.000 0.458 440 T N 0.882 115.344 114.554 -0.155 0.000 2.896 440 T HA 0.610 4.960 4.350 -0.001 0.000 0.297 440 T C -0.988 173.516 174.700 -0.327 0.000 1.108 440 T CA -0.661 61.308 62.100 -0.219 0.000 1.004 440 T CB 1.566 70.387 68.868 -0.078 0.000 1.159 440 T HN 0.119 nan 8.240 nan 0.000 0.499 441 F N 2.745 122.745 119.950 0.083 0.000 2.403 441 F HA 0.497 5.023 4.527 -0.001 0.000 0.355 441 F C -1.989 173.884 175.800 0.121 0.000 1.119 441 F CA -2.529 55.539 58.000 0.114 0.000 1.007 441 F CB 1.455 40.543 39.000 0.146 0.000 1.194 441 F HN 0.393 nan 8.300 nan 0.000 0.443 442 P HA -0.041 nan 4.420 nan 0.000 0.267 442 P C -0.212 176.977 177.300 -0.184 0.000 1.200 442 P CA -0.183 62.925 63.100 0.014 0.000 0.772 442 P CB 0.934 32.648 31.700 0.022 0.000 0.855 443 E N 0.605 120.540 120.200 -0.441 0.000 2.414 443 E HA 0.198 4.547 4.350 -0.001 0.000 0.263 443 E C 1.134 177.571 176.600 -0.272 0.000 1.000 443 E CA 0.842 56.806 56.400 -0.727 0.000 0.914 443 E CB -0.423 29.003 29.700 -0.456 0.000 0.948 443 E HN 0.777 nan 8.360 nan 0.000 0.444 444 G N 3.034 111.742 108.800 -0.153 0.000 2.279 444 G HA2 -0.307 3.652 3.960 -0.001 0.000 0.223 444 G HA3 -0.307 3.652 3.960 -0.001 0.000 0.223 444 G C 0.205 175.117 174.900 0.019 0.000 1.015 444 G CA 0.181 45.262 45.100 -0.032 0.000 0.621 444 G HN 0.869 nan 8.290 nan 0.000 0.506 445 S N 0.445 116.168 115.700 0.039 0.000 2.585 445 S HA 0.549 5.018 4.470 -0.001 0.000 0.273 445 S C 1.013 175.655 174.600 0.071 0.000 1.339 445 S CA 0.575 58.813 58.200 0.064 0.000 1.028 445 S CB 2.004 65.268 63.200 0.107 0.000 0.906 445 S HN 0.349 nan 8.310 nan 0.000 0.528 446 E N 1.206 121.416 120.200 0.016 0.000 2.058 446 E HA -0.208 4.141 4.350 -0.001 0.000 0.194 446 E C 1.785 178.370 176.600 -0.026 0.000 0.997 446 E CA 1.785 58.188 56.400 0.005 0.000 0.801 446 E CB -0.157 29.520 29.700 -0.037 0.000 0.746 446 E HN 0.803 nan 8.360 nan 0.000 0.450 447 E N -0.205 119.881 120.200 -0.190 0.000 2.058 447 E HA -0.210 4.140 4.350 -0.001 0.000 0.194 447 E C 2.027 178.541 176.600 -0.142 0.000 0.997 447 E CA 1.195 57.342 56.400 -0.422 0.000 0.801 447 E CB -0.319 28.554 29.700 -1.377 0.000 0.746 447 E HN 0.309 nan 8.360 nan 0.000 0.450 448 H N 0.223 119.265 119.070 -0.046 0.000 2.353 448 H HA -0.076 4.479 4.556 -0.001 0.000 0.300 448 H C 1.717 177.168 175.328 0.204 0.000 1.090 448 H CA 1.942 58.085 56.048 0.158 0.000 1.327 448 H CB 0.012 29.898 29.762 0.207 0.000 1.383 448 H HN 0.136 nan 8.280 nan 0.000 0.508 449 T N 0.341 115.077 114.554 0.304 0.000 2.708 449 T HA -0.198 4.151 4.350 -0.001 0.000 0.266 449 T C 1.804 176.589 174.700 0.142 0.000 1.037 449 T CA 1.633 63.874 62.100 0.235 0.000 1.146 449 T CB -0.763 68.212 68.868 0.178 0.000 0.865 449 T HN 0.410 nan 8.240 nan 0.000 0.435 450 Y N 1.448 121.745 120.300 -0.006 0.000 2.145 450 Y HA -0.084 4.465 4.550 -0.001 0.000 0.286 450 Y C 2.204 178.056 175.900 -0.080 0.000 1.145 450 Y CA 0.925 59.000 58.100 -0.041 0.000 1.148 450 Y CB -0.532 37.892 38.460 -0.060 0.000 0.981 450 Y HN 0.083 nan 8.280 nan 0.000 0.507 451 L N -0.052 121.210 121.223 0.066 0.000 1.978 451 L HA -0.335 4.004 4.340 -0.001 0.000 0.218 451 L C 2.406 179.128 176.870 -0.246 0.000 1.075 451 L CA 2.341 57.112 54.840 -0.115 0.000 0.767 451 L CB -1.150 40.756 42.059 -0.255 0.000 0.890 451 L HN 0.327 nan 8.230 nan 0.000 0.434 452 H N -0.655 118.369 119.070 -0.077 0.000 2.395 452 H HA 0.038 4.594 4.556 -0.001 0.000 0.299 452 H C 2.144 177.420 175.328 -0.086 0.000 1.070 452 H CA 1.235 57.264 56.048 -0.033 0.000 1.356 452 H CB -0.392 29.336 29.762 -0.058 0.000 1.401 452 H HN 0.559 nan 8.280 nan 0.000 0.524 453 A N 1.506 124.304 122.820 -0.035 0.000 1.883 453 A HA -0.198 4.122 4.320 -0.001 0.000 0.217 453 A C 2.388 179.842 177.584 -0.216 0.000 1.186 453 A CA 1.426 53.392 52.037 -0.119 0.000 0.624 453 A CB -0.274 18.627 19.000 -0.165 0.000 0.822 453 A HN 0.292 nan 8.150 nan 0.000 0.444 454 Q N -0.578 119.018 119.800 -0.341 0.000 2.084 454 Q HA -0.136 4.204 4.340 -0.001 0.000 0.202 454 Q C 2.212 178.072 176.000 -0.234 0.000 0.978 454 Q CA 1.212 56.803 55.803 -0.354 0.000 0.844 454 Q CB -0.446 28.024 28.738 -0.446 0.000 0.898 454 Q HN 0.503 nan 8.270 nan 0.000 0.426 455 R N 0.603 120.984 120.500 -0.198 0.000 2.092 455 R HA -0.048 4.292 4.340 -0.001 0.000 0.231 455 R C 2.103 178.242 176.300 -0.269 0.000 1.119 455 R CA 0.841 56.798 56.100 -0.238 0.000 0.970 455 R CB -0.366 29.726 30.300 -0.345 0.000 0.864 455 R HN 0.331 nan 8.270 nan 0.000 0.440 456 Q N 0.868 120.553 119.800 -0.191 0.000 2.124 456 Q HA -0.065 4.274 4.340 -0.001 0.000 0.202 456 Q C 1.844 177.783 176.000 -0.102 0.000 0.977 456 Q CA 1.200 56.929 55.803 -0.125 0.000 0.850 456 Q CB -0.136 28.577 28.738 -0.042 0.000 0.901 456 Q HN 0.332 nan 8.270 nan 0.000 0.429 457 K N 0.117 120.437 120.400 -0.132 0.000 2.280 457 K HA -0.038 4.281 4.320 -0.001 0.000 0.202 457 K C 1.166 177.624 176.600 -0.237 0.000 1.047 457 K CA 0.551 56.754 56.287 -0.140 0.000 0.942 457 K CB 0.097 32.508 32.500 -0.149 0.000 0.739 457 K HN 0.152 nan 8.250 nan 0.000 0.457 458 L N 0.239 121.307 121.223 -0.259 0.000 2.928 458 L HA 0.168 4.508 4.340 -0.001 0.000 0.246 458 L C -0.509 176.173 176.870 -0.313 0.000 1.239 458 L CA -0.000 54.623 54.840 -0.361 0.000 1.035 458 L CB -0.439 41.512 42.059 -0.181 0.000 1.360 458 L HN 0.361 nan 8.230 nan 0.000 0.529 459 H N -1.791 117.241 119.070 -0.064 0.000 3.237 459 H HA -0.168 4.388 4.556 -0.001 0.000 0.231 459 H C 0.996 176.266 175.328 -0.097 0.000 1.148 459 H CA 0.156 56.171 56.048 -0.056 0.000 1.155 459 H CB -1.180 28.575 29.762 -0.013 0.000 1.210 459 H HN 0.640 nan 8.280 nan 0.000 0.317 460 G N -1.172 107.542 108.800 -0.142 0.000 2.265 460 G HA2 0.012 3.971 3.960 -0.001 0.000 0.246 460 G HA3 0.012 3.971 3.960 -0.001 0.000 0.246 460 G C -1.528 173.028 174.900 -0.574 0.000 1.299 460 G CA -0.515 44.374 45.100 -0.352 0.000 1.117 460 G HN 0.170 nan 8.290 nan 0.000 0.485 461 Y N 0.464 120.813 120.300 0.081 0.000 2.446 461 Y HA 0.797 5.347 4.550 -0.001 0.000 0.338 461 Y C 0.789 176.720 175.900 0.051 0.000 1.055 461 Y CA -0.583 57.562 58.100 0.075 0.000 1.101 461 Y CB 1.912 40.390 38.460 0.031 0.000 1.221 461 Y HN 0.811 nan 8.280 nan 0.000 0.460 462 L N 1.147 122.506 121.223 0.228 0.000 2.465 462 L HA 0.843 5.182 4.340 -0.001 0.000 0.257 462 L C -3.113 173.813 176.870 0.093 0.000 0.988 462 L CA -2.365 52.542 54.840 0.111 0.000 0.827 462 L CB 2.647 44.789 42.059 0.138 0.000 1.397 462 L HN 0.287 nan 8.230 nan 0.000 0.410 463 P HA 0.316 nan 4.420 nan 0.000 0.276 463 P C -0.949 176.020 177.300 -0.551 0.000 1.244 463 P CA -0.133 62.771 63.100 -0.326 0.000 0.801 463 P CB 1.706 33.158 31.700 -0.414 0.000 1.006 464 S N 0.802 116.316 115.700 -0.310 0.000 2.565 464 S HA 0.666 5.136 4.470 -0.001 0.000 0.269 464 S C -1.200 173.313 174.600 -0.145 0.000 1.153 464 S CA -0.927 57.133 58.200 -0.233 0.000 0.835 464 S CB 2.340 65.484 63.200 -0.094 0.000 1.122 464 S HN 0.688 nan 8.310 nan 0.000 0.462 465 R N 0.903 121.349 120.500 -0.091 0.000 2.651 465 R HA 0.449 4.788 4.340 -0.001 0.000 0.278 465 R C -1.643 174.642 176.300 -0.026 0.000 1.010 465 R CA -0.437 55.619 56.100 -0.073 0.000 0.896 465 R CB 2.008 32.264 30.300 -0.072 0.000 1.211 465 R HN 0.852 nan 8.270 nan 0.000 0.456 466 Q N 5.611 125.397 119.800 -0.024 0.000 2.368 466 Q HA 0.312 4.651 4.340 -0.001 0.000 0.256 466 Q C -1.754 174.265 176.000 0.032 0.000 0.980 466 Q CA -2.166 53.645 55.803 0.014 0.000 0.887 466 Q CB 1.562 30.316 28.738 0.026 0.000 1.221 466 Q HN 0.424 nan 8.270 nan 0.000 0.458 467 P HA -0.077 nan 4.420 nan 0.000 0.221 467 P C -0.482 176.950 177.300 0.221 0.000 1.150 467 P CA 0.869 64.037 63.100 0.113 0.000 0.800 467 P CB 0.515 32.261 31.700 0.076 0.000 0.787 468 N N -0.154 118.641 118.700 0.158 0.000 2.265 468 N HA 0.308 5.047 4.740 -0.001 0.000 0.300 468 N C -0.382 175.243 175.510 0.192 0.000 1.148 468 N CA -0.645 52.488 53.050 0.139 0.000 0.772 468 N CB 1.411 39.858 38.487 -0.066 0.000 1.434 468 N HN -0.061 nan 8.380 nan 0.000 0.481 469 F N -1.215 118.865 119.950 0.218 0.000 2.371 469 F HA 0.464 4.990 4.527 -0.001 0.000 0.329 469 F C 1.752 177.620 175.800 0.114 0.000 1.107 469 F CA -0.707 57.406 58.000 0.189 0.000 1.137 469 F CB 0.209 39.362 39.000 0.255 0.000 1.214 469 F HN 0.484 nan 8.300 nan 0.000 0.536 470 T N -2.108 112.579 114.554 0.222 0.000 3.031 470 T HA 0.063 4.413 4.350 -0.001 0.000 0.254 470 T C 0.476 175.261 174.700 0.141 0.000 1.060 470 T CA 0.333 62.490 62.100 0.094 0.000 1.135 470 T CB -0.686 68.236 68.868 0.089 0.000 0.896 470 T HN 0.811 nan 8.240 nan 0.000 0.472 471 E N 1.584 121.959 120.200 0.293 0.000 2.422 471 E HA 0.150 4.499 4.350 -0.001 0.000 0.260 471 E C -0.304 176.475 176.600 0.299 0.000 1.108 471 E CA -0.666 55.886 56.400 0.253 0.000 0.943 471 E CB 0.572 30.410 29.700 0.229 0.000 0.961 471 E HN 0.403 nan 8.360 nan 0.000 0.443 472 K N 2.971 123.491 120.400 0.199 0.000 2.307 472 K HA 0.286 4.606 4.320 -0.001 0.000 0.263 472 K C -0.938 175.776 176.600 0.190 0.000 0.973 472 K CA -0.604 55.796 56.287 0.190 0.000 0.846 472 K CB 0.780 33.340 32.500 0.101 0.000 1.100 472 K HN 0.535 nan 8.250 nan 0.000 0.438 473 L N 3.114 124.482 121.223 0.241 0.000 2.375 473 L HA 0.290 4.629 4.340 -0.001 0.000 0.271 473 L C 0.252 177.200 176.870 0.130 0.000 1.107 473 L CA -0.667 54.275 54.840 0.169 0.000 0.806 473 L CB 1.172 43.340 42.059 0.182 0.000 1.146 473 L HN 0.576 nan 8.230 nan 0.000 0.447 474 E N 4.118 124.375 120.200 0.094 0.000 2.167 474 E HA 0.324 4.673 4.350 -0.001 0.000 0.247 474 E C -0.509 176.140 176.600 0.080 0.000 0.961 474 E CA -0.293 56.154 56.400 0.079 0.000 0.797 474 E CB 0.810 30.543 29.700 0.056 0.000 1.182 474 E HN 0.432 nan 8.360 nan 0.000 0.437 475 L N 3.715 125.002 121.223 0.106 0.000 2.461 475 L HA 0.172 4.511 4.340 -0.001 0.000 0.272 475 L C -1.553 175.396 176.870 0.131 0.000 1.197 475 L CA -1.471 53.444 54.840 0.125 0.000 0.836 475 L CB -0.184 41.963 42.059 0.147 0.000 1.105 475 L HN 0.112 nan 8.230 nan 0.000 0.477 476 P HA 0.052 nan 4.420 nan 0.000 0.269 476 P C -0.596 176.856 177.300 0.253 0.000 1.209 476 P CA -0.369 62.784 63.100 0.088 0.000 0.776 476 P CB 0.902 32.568 31.700 -0.057 0.000 0.876 477 S N 1.575 117.358 115.700 0.137 0.000 2.681 477 S HA 0.155 4.624 4.470 -0.001 0.000 0.270 477 S C 1.096 175.720 174.600 0.040 0.000 1.209 477 S CA -0.690 57.600 58.200 0.150 0.000 0.988 477 S CB 0.388 63.617 63.200 0.050 0.000 1.006 477 S HN 0.355 nan 8.310 nan 0.000 0.558 478 L N 0.954 121.985 121.223 -0.319 0.000 2.291 478 L HA -0.009 4.331 4.340 -0.001 0.000 0.214 478 L C 2.702 179.570 176.870 -0.004 0.000 1.120 478 L CA 1.767 56.404 54.840 -0.339 0.000 0.799 478 L CB -1.085 40.656 42.059 -0.530 0.000 0.925 478 L HN 0.966 nan 8.230 nan 0.000 0.446 479 Q N -1.208 118.570 119.800 -0.037 0.000 2.167 479 Q HA -0.222 4.118 4.340 -0.001 0.000 0.202 479 Q C 1.069 177.047 176.000 -0.037 0.000 0.970 479 Q CA 1.753 57.542 55.803 -0.024 0.000 0.855 479 Q CB -0.410 28.309 28.738 -0.031 0.000 0.911 479 Q HN 0.473 nan 8.270 nan 0.000 0.438 480 D N 0.123 120.466 120.400 -0.095 0.000 2.309 480 D HA -0.094 4.545 4.640 -0.001 0.000 0.212 480 D C 0.249 176.340 176.300 -0.349 0.000 0.968 480 D CA 0.786 54.635 54.000 -0.250 0.000 0.882 480 D CB -0.049 40.525 40.800 -0.377 0.000 0.918 480 D HN 0.339 nan 8.370 nan 0.000 0.503 481 F N -0.144 119.773 119.950 -0.055 0.000 2.750 481 F HA 0.305 4.832 4.527 -0.001 0.000 0.297 481 F C 2.094 177.868 175.800 -0.043 0.000 1.138 481 F CA -0.578 57.395 58.000 -0.046 0.000 1.346 481 F CB 0.362 39.339 39.000 -0.039 0.000 0.965 481 F HN -0.152 nan 8.300 nan 0.000 0.514 482 G N 0.533 109.376 108.800 0.072 0.000 2.440 482 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.218 482 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.218 482 G C 1.935 176.855 174.900 0.034 0.000 1.154 482 G CA 1.004 46.125 45.100 0.036 0.000 0.767 482 G HN 0.441 nan 8.290 nan 0.000 0.552 483 A N 0.433 123.269 122.820 0.027 0.000 1.933 483 A HA 0.098 4.418 4.320 -0.001 0.000 0.218 483 A C 2.383 179.990 177.584 0.039 0.000 1.175 483 A CA 1.216 53.264 52.037 0.019 0.000 0.628 483 A CB -0.341 18.661 19.000 0.003 0.000 0.814 483 A HN 0.374 nan 8.150 nan 0.000 0.444 484 L N -0.734 120.534 121.223 0.074 0.000 2.291 484 L HA -0.049 4.290 4.340 -0.001 0.000 0.214 484 L C 1.975 178.910 176.870 0.109 0.000 1.120 484 L CA 0.464 55.355 54.840 0.086 0.000 0.799 484 L CB -0.269 41.856 42.059 0.110 0.000 0.925 484 L HN 0.373 nan 8.230 nan 0.000 0.446 485 L N -1.087 120.191 121.223 0.091 0.000 2.492 485 L HA 0.029 4.368 4.340 -0.001 0.000 0.223 485 L C 0.860 177.743 176.870 0.023 0.000 1.132 485 L CA 0.203 55.086 54.840 0.072 0.000 0.850 485 L CB -0.220 41.848 42.059 0.014 0.000 0.966 485 L HN 0.229 nan 8.230 nan 0.000 0.454 486 E N 0.590 120.803 120.200 0.023 0.000 2.312 486 E HA 0.132 4.482 4.350 -0.001 0.000 0.259 486 E C -0.226 176.378 176.600 0.008 0.000 1.122 486 E CA -0.604 55.796 56.400 0.000 0.000 0.922 486 E CB 0.949 30.648 29.700 -0.002 0.000 1.109 486 E HN 0.071 nan 8.360 nan 0.000 0.442 487 E N 1.337 121.533 120.200 -0.007 0.000 2.414 487 E HA -0.084 4.265 4.350 -0.001 0.000 0.263 487 E C -0.615 175.966 176.600 -0.032 0.000 1.000 487 E CA -0.206 56.179 56.400 -0.025 0.000 0.914 487 E CB 0.552 30.264 29.700 0.019 0.000 0.948 487 E HN 0.190 nan 8.360 nan 0.000 0.444 488 Q N 2.473 122.221 119.800 -0.087 0.000 2.243 488 Q HA 0.047 4.386 4.340 -0.001 0.000 0.252 488 Q C 0.475 176.462 176.000 -0.021 0.000 0.909 488 Q CA -0.035 55.733 55.803 -0.057 0.000 0.922 488 Q CB 1.816 30.506 28.738 -0.080 0.000 1.215 488 Q HN 0.694 nan 8.270 nan 0.000 0.427 489 S N 2.898 118.603 115.700 0.008 0.000 2.357 489 S HA -0.059 4.410 4.470 -0.001 0.000 0.221 489 S C 0.635 175.261 174.600 0.043 0.000 1.031 489 S CA 1.019 59.240 58.200 0.035 0.000 0.982 489 S CB 0.287 63.500 63.200 0.022 0.000 0.853 489 S HN 0.462 nan 8.310 nan 0.000 0.458 490 K N 1.530 121.941 120.400 0.019 0.000 2.144 490 K HA 0.214 4.533 4.320 -0.001 0.000 0.270 490 K C -0.574 176.035 176.600 0.015 0.000 1.005 490 K CA -0.251 56.048 56.287 0.019 0.000 0.932 490 K CB 0.693 33.194 32.500 0.002 0.000 1.021 490 K HN 0.353 nan 8.250 nan 0.000 0.462 491 E N 3.724 123.943 120.200 0.032 0.000 2.259 491 E HA 0.180 4.529 4.350 -0.001 0.000 0.281 491 E C -0.119 176.464 176.600 -0.028 0.000 1.037 491 E CA -0.145 56.272 56.400 0.027 0.000 0.854 491 E CB 0.626 30.371 29.700 0.076 0.000 1.051 491 E HN 0.421 nan 8.360 nan 0.000 0.409 492 I N -1.336 119.181 120.570 -0.089 0.000 3.466 492 I HA 0.592 4.762 4.170 -0.001 0.000 0.311 492 I C -0.275 175.698 176.117 -0.240 0.000 1.155 492 I CA -1.011 60.219 61.300 -0.117 0.000 0.959 492 I CB 2.082 40.032 38.000 -0.083 0.000 1.332 492 I HN 0.419 nan 8.210 nan 0.000 0.483 493 S N -0.795 114.789 115.700 -0.194 0.000 2.726 493 S HA 0.402 4.871 4.470 -0.001 0.000 0.308 493 S C 0.779 175.290 174.600 -0.148 0.000 1.115 493 S CA 0.151 58.201 58.200 -0.250 0.000 0.965 493 S CB 1.311 64.430 63.200 -0.134 0.000 1.145 493 S HN 0.866 nan 8.310 nan 0.000 0.532 494 T N -2.201 112.285 114.554 -0.114 0.000 3.035 494 T HA -0.024 4.325 4.350 -0.001 0.000 0.268 494 T C 1.489 176.205 174.700 0.026 0.000 1.109 494 T CA 1.478 63.560 62.100 -0.030 0.000 1.119 494 T CB -1.044 67.822 68.868 -0.005 0.000 0.900 494 T HN 0.604 nan 8.240 nan 0.000 0.503 495 T N 1.892 116.463 114.554 0.028 0.000 2.896 495 T HA 0.242 4.592 4.350 -0.001 0.000 0.263 495 T C 1.844 176.622 174.700 0.130 0.000 1.050 495 T CA 0.664 62.827 62.100 0.104 0.000 1.140 495 T CB -0.310 68.621 68.868 0.106 0.000 0.877 495 T HN 0.370 nan 8.240 nan 0.000 0.457 496 I N 1.402 121.997 120.570 0.042 0.000 2.286 496 I HA -0.157 4.012 4.170 -0.001 0.000 0.248 496 I C 2.856 178.967 176.117 -0.010 0.000 1.115 496 I CA 0.872 62.174 61.300 0.004 0.000 1.392 496 I CB -0.394 37.589 38.000 -0.027 0.000 1.065 496 I HN 0.189 nan 8.210 nan 0.000 0.418 497 A N 1.011 123.834 122.820 0.005 0.000 1.883 497 A HA -0.283 4.036 4.320 -0.001 0.000 0.217 497 A C 2.229 179.821 177.584 0.014 0.000 1.186 497 A CA 1.701 53.741 52.037 0.006 0.000 0.624 497 A CB -1.025 17.983 19.000 0.012 0.000 0.822 497 A HN 0.491 nan 8.150 nan 0.000 0.444 498 F N 0.970 120.879 119.950 -0.069 0.000 2.095 498 F HA -0.160 4.367 4.527 -0.000 0.000 0.298 498 F C 2.093 177.825 175.800 -0.115 0.000 1.104 498 F CA 2.029 59.971 58.000 -0.096 0.000 1.232 498 F CB -0.611 38.335 39.000 -0.089 0.000 0.987 498 F HN 0.011 nan 8.300 nan 0.000 0.475 499 V N 1.157 120.773 119.914 -0.498 0.000 2.427 499 V HA -0.251 3.868 4.120 -0.001 0.000 0.248 499 V C 2.579 178.435 176.094 -0.396 0.000 1.051 499 V CA 2.163 64.108 62.300 -0.591 0.000 1.048 499 V CB -0.704 30.974 31.823 -0.240 0.000 0.666 499 V HN 0.305 nan 8.190 nan 0.000 0.456 500 R N -0.033 120.330 120.500 -0.228 0.000 2.092 500 R HA -0.069 4.270 4.340 -0.001 0.000 0.231 500 R C 2.407 178.637 176.300 -0.117 0.000 1.119 500 R CA 1.353 57.370 56.100 -0.139 0.000 0.970 500 R CB -0.478 29.782 30.300 -0.067 0.000 0.864 500 R HN 0.536 nan 8.270 nan 0.000 0.440 501 A N 1.113 123.859 122.820 -0.123 0.000 1.930 501 A HA -0.135 4.184 4.320 -0.001 0.000 0.217 501 A C 2.036 179.554 177.584 -0.110 0.000 1.175 501 A CA 0.861 52.916 52.037 0.030 0.000 0.627 501 A CB -0.376 18.602 19.000 -0.037 0.000 0.815 501 A HN 0.209 nan 8.150 nan 0.000 0.443 502 L N 0.707 121.665 121.223 -0.441 0.000 2.017 502 L HA -0.185 4.154 4.340 -0.001 0.000 0.208 502 L C 1.943 178.636 176.870 -0.296 0.000 1.073 502 L CA 2.129 56.644 54.840 -0.542 0.000 0.745 502 L CB -0.839 40.743 42.059 -0.795 0.000 0.894 502 L HN 0.369 nan 8.230 nan 0.000 0.432 503 N N -0.585 117.969 118.700 -0.243 0.000 2.149 503 N HA -0.177 4.562 4.740 -0.001 0.000 0.188 503 N C 1.860 177.283 175.510 -0.145 0.000 1.019 503 N CA 1.754 54.707 53.050 -0.162 0.000 0.857 503 N CB -0.267 38.137 38.487 -0.137 0.000 0.997 503 N HN 0.295 nan 8.380 nan 0.000 0.426 504 V N 2.035 121.857 119.914 -0.153 0.000 2.295 504 V HA -0.220 3.900 4.120 -0.001 0.000 0.246 504 V C 2.416 178.369 176.094 -0.234 0.000 1.049 504 V CA 1.438 63.595 62.300 -0.238 0.000 1.024 504 V CB -0.406 31.173 31.823 -0.407 0.000 0.648 504 V HN 0.289 nan 8.190 nan 0.000 0.447 505 M N -0.823 118.682 119.600 -0.158 0.000 2.149 505 M HA -0.172 4.307 4.480 -0.001 0.000 0.261 505 M C 2.084 178.335 176.300 -0.082 0.000 1.064 505 M CA 1.809 57.054 55.300 -0.093 0.000 1.102 505 M CB -0.508 32.062 32.600 -0.049 0.000 1.369 505 M HN 0.260 nan 8.290 nan 0.000 0.408 506 L N -0.078 121.087 121.223 -0.096 0.000 2.549 506 L HA -0.134 4.205 4.340 -0.001 0.000 0.229 506 L C 1.875 178.710 176.870 -0.059 0.000 1.158 506 L CA 0.574 55.376 54.840 -0.064 0.000 0.842 506 L CB -0.333 41.687 42.059 -0.065 0.000 0.952 506 L HN 0.192 nan 8.230 nan 0.000 0.452 507 K N -0.532 119.819 120.400 -0.083 0.000 2.358 507 K HA 0.126 4.446 4.320 -0.001 0.000 0.197 507 K C 0.300 176.859 176.600 -0.070 0.000 1.025 507 K CA -0.022 56.220 56.287 -0.075 0.000 1.104 507 K CB -0.028 32.417 32.500 -0.091 0.000 0.855 507 K HN 0.158 nan 8.250 nan 0.000 0.531 508 N N 1.818 120.478 118.700 -0.066 0.000 2.408 508 N HA 0.023 4.763 4.740 -0.001 0.000 0.257 508 N C 0.442 175.938 175.510 -0.024 0.000 1.064 508 N CA 0.161 53.182 53.050 -0.048 0.000 0.952 508 N CB 1.180 39.641 38.487 -0.042 0.000 1.093 508 N HN -0.245 nan 8.380 nan 0.000 0.490 509 K N 1.429 121.818 120.400 -0.019 0.000 2.074 509 K HA -0.126 4.193 4.320 -0.001 0.000 0.209 509 K C 1.831 178.430 176.600 -0.001 0.000 1.048 509 K CA 1.259 57.540 56.287 -0.010 0.000 0.926 509 K CB -0.447 32.049 32.500 -0.007 0.000 0.713 509 K HN 0.509 nan 8.250 nan 0.000 0.444 510 S N 0.116 115.820 115.700 0.007 0.000 2.383 510 S HA -0.043 4.426 4.470 -0.001 0.000 0.227 510 S C 1.605 176.210 174.600 0.009 0.000 1.026 510 S CA 1.295 59.504 58.200 0.016 0.000 0.981 510 S CB -0.095 63.125 63.200 0.033 0.000 0.818 510 S HN 0.418 nan 8.310 nan 0.000 0.472 511 I N -1.445 119.128 120.570 0.006 0.000 4.227 511 I HA 0.302 4.471 4.170 -0.001 0.000 0.334 511 I C 1.643 177.763 176.117 0.006 0.000 1.341 511 I CA -0.133 61.166 61.300 -0.002 0.000 1.123 511 I CB -0.140 37.864 38.000 0.007 0.000 1.097 511 I HN 0.095 nan 8.210 nan 0.000 0.399 512 K N 1.333 121.734 120.400 0.002 0.000 2.089 512 K HA -0.193 4.126 4.320 -0.001 0.000 0.210 512 K C 0.842 177.453 176.600 0.018 0.000 1.048 512 K CA 2.268 58.557 56.287 0.004 0.000 0.926 512 K CB -0.564 31.930 32.500 -0.009 0.000 0.714 512 K HN 0.341 nan 8.250 nan 0.000 0.448 513 D N -0.076 120.328 120.400 0.008 0.000 2.339 513 D HA 0.036 4.676 4.640 -0.001 0.000 0.217 513 D C 1.296 177.606 176.300 0.016 0.000 1.050 513 D CA 0.164 54.168 54.000 0.007 0.000 0.856 513 D CB 0.356 41.144 40.800 -0.020 0.000 0.922 513 D HN 0.202 nan 8.370 nan 0.000 0.518 514 R N 0.122 120.634 120.500 0.020 0.000 2.290 514 R HA 0.205 4.544 4.340 -0.001 0.000 0.197 514 R C 0.836 177.180 176.300 0.073 0.000 0.913 514 R CA -0.096 56.015 56.100 0.019 0.000 1.040 514 R CB 0.195 30.462 30.300 -0.055 0.000 0.992 514 R HN 0.189 nan 8.270 nan 0.000 0.500 515 L N 1.336 122.627 121.223 0.114 0.000 2.426 515 L HA 0.162 4.501 4.340 -0.001 0.000 0.271 515 L C 0.137 177.165 176.870 0.264 0.000 1.169 515 L CA -0.216 54.753 54.840 0.215 0.000 0.836 515 L CB 0.898 43.084 42.059 0.212 0.000 1.112 515 L HN -0.294 nan 8.230 nan 0.000 0.465 516 V N 3.721 123.826 119.914 0.320 0.000 2.320 516 V HA 0.250 4.370 4.120 -0.001 0.000 0.268 516 V C -2.307 173.999 176.094 0.355 0.000 1.021 516 V CA -1.474 61.009 62.300 0.306 0.000 0.813 516 V CB 1.064 33.032 31.823 0.242 0.000 1.054 516 V HN 0.597 nan 8.190 nan 0.000 0.444 517 P HA 0.384 nan 4.420 nan 0.000 0.276 517 P C -0.524 176.981 177.300 0.341 0.000 1.235 517 P CA 0.249 63.587 63.100 0.396 0.000 0.772 517 P CB 0.733 32.623 31.700 0.316 0.000 0.871 518 I N 4.315 125.122 120.570 0.396 0.000 2.498 518 I HA 0.443 4.613 4.170 -0.001 0.000 0.290 518 I C -0.304 176.075 176.117 0.437 0.000 1.032 518 I CA -0.727 60.765 61.300 0.320 0.000 1.073 518 I CB 1.809 39.937 38.000 0.214 0.000 1.251 518 I HN 0.133 nan 8.210 nan 0.000 0.426 519 I N 4.238 125.021 120.570 0.355 0.000 2.828 519 I HA 0.559 4.728 4.170 -0.001 0.000 0.302 519 I C -0.095 176.238 176.117 0.361 0.000 1.101 519 I CA -0.345 61.213 61.300 0.430 0.000 1.031 519 I CB 2.279 40.526 38.000 0.412 0.000 1.231 519 I HN 0.600 nan 8.210 nan 0.000 0.427 520 A N 3.144 126.233 122.820 0.448 0.000 2.937 520 A HA 0.602 4.921 4.320 -0.001 0.000 0.338 520 A C 0.363 178.141 177.584 0.323 0.000 1.273 520 A CA 0.015 52.256 52.037 0.340 0.000 0.937 520 A CB -0.279 18.958 19.000 0.395 0.000 1.133 520 A HN 0.847 nan 8.150 nan 0.000 0.491 521 D N 0.588 121.142 120.400 0.258 0.000 4.195 521 D HA -0.190 4.449 4.640 -0.001 0.000 0.198 521 D C 0.169 176.630 176.300 0.269 0.000 1.063 521 D CA 2.220 56.355 54.000 0.224 0.000 2.321 521 D CB -1.329 39.585 40.800 0.191 0.000 1.163 521 D HN 0.626 nan 8.370 nan 0.000 0.415 522 E N 1.216 121.608 120.200 0.320 0.000 2.406 522 E HA 0.383 4.732 4.350 -0.001 0.000 0.258 522 E C 0.499 177.316 176.600 0.362 0.000 1.043 522 E CA 0.763 57.334 56.400 0.283 0.000 0.929 522 E CB 1.094 30.954 29.700 0.268 0.000 0.969 522 E HN 0.465 nan 8.360 nan 0.000 0.462 523 A N 4.105 127.100 122.820 0.291 0.000 1.917 523 A HA 0.018 4.337 4.320 -0.001 0.000 0.200 523 A C 1.968 179.640 177.584 0.148 0.000 1.671 523 A CA 0.155 52.403 52.037 0.351 0.000 1.034 523 A CB 0.013 19.342 19.000 0.548 0.000 1.057 523 A HN 0.509 nan 8.150 nan 0.000 0.507 524 R N 0.098 120.642 120.500 0.074 0.000 2.127 524 R HA -0.116 4.224 4.340 -0.001 0.000 0.238 524 R C 1.676 177.923 176.300 -0.088 0.000 1.134 524 R CA 2.150 58.242 56.100 -0.013 0.000 0.975 524 R CB -0.431 29.877 30.300 0.012 0.000 0.865 524 R HN 0.422 nan 8.270 nan 0.000 0.447 525 T N -0.055 114.375 114.554 -0.208 0.000 2.915 525 T HA -0.076 4.273 4.350 -0.001 0.000 0.269 525 T C 0.487 174.876 174.700 -0.517 0.000 1.071 525 T CA 1.022 62.859 62.100 -0.439 0.000 1.132 525 T CB -0.071 68.347 68.868 -0.749 0.000 0.878 525 T HN 0.170 nan 8.240 nan 0.000 0.479 526 F N 0.347 120.282 119.950 -0.025 0.000 2.641 526 F HA 0.431 4.957 4.527 -0.002 0.000 0.302 526 F C 1.705 177.505 175.800 -0.001 0.000 1.098 526 F CA -0.978 57.010 58.000 -0.021 0.000 1.318 526 F CB -0.464 38.541 39.000 0.007 0.000 1.035 526 F HN 0.169 nan 8.300 nan 0.000 0.551 527 G N 0.571 109.417 108.800 0.077 0.000 2.249 527 G HA2 -0.317 3.643 3.960 -0.001 0.000 0.273 527 G HA3 -0.317 3.643 3.960 -0.001 0.000 0.273 527 G C 1.077 175.973 174.900 -0.007 0.000 1.036 527 G CA 0.532 45.640 45.100 0.014 0.000 0.824 527 G HN 0.177 nan 8.290 nan 0.000 0.504 528 M N 0.224 119.831 119.600 0.012 0.000 2.514 528 M HA 0.049 4.528 4.480 -0.001 0.000 0.258 528 M C 2.470 178.532 176.300 -0.397 0.000 1.119 528 M CA 1.349 56.626 55.300 -0.037 0.000 1.111 528 M CB -0.532 32.174 32.600 0.177 0.000 1.390 528 M HN 0.643 nan 8.290 nan 0.000 0.475 529 E N 0.328 120.200 120.200 -0.547 0.000 2.187 529 E HA -0.188 4.161 4.350 -0.001 0.000 0.199 529 E C 1.795 178.005 176.600 -0.650 0.000 1.004 529 E CA 1.926 57.757 56.400 -0.948 0.000 0.813 529 E CB -1.090 28.341 29.700 -0.449 0.000 0.736 529 E HN 0.469 nan 8.360 nan 0.000 0.468 530 G N 1.279 109.883 108.800 -0.327 0.000 2.470 530 G HA2 -0.129 3.830 3.960 -0.001 0.000 0.220 530 G HA3 -0.129 3.830 3.960 -0.001 0.000 0.220 530 G C 1.728 176.552 174.900 -0.126 0.000 1.121 530 G CA 0.568 45.560 45.100 -0.180 0.000 0.766 530 G HN 0.238 nan 8.290 nan 0.000 0.553 531 L N -0.358 120.778 121.223 -0.147 0.000 2.240 531 L HA 0.092 4.431 4.340 -0.001 0.000 0.211 531 L C 2.442 179.439 176.870 0.213 0.000 1.106 531 L CA 0.125 54.978 54.840 0.022 0.000 0.793 531 L CB -0.295 41.806 42.059 0.071 0.000 0.927 531 L HN 0.071 nan 8.230 nan 0.000 0.446 532 F N 0.637 120.616 119.950 0.048 0.000 2.134 532 F HA -0.165 4.361 4.527 -0.003 0.000 0.299 532 F C 2.648 178.472 175.800 0.040 0.000 1.097 532 F CA 0.935 58.968 58.000 0.056 0.000 1.264 532 F CB -1.147 37.889 39.000 0.059 0.000 1.001 532 F HN 0.042 nan 8.300 nan 0.000 0.479 533 R N 0.164 120.787 120.500 0.205 0.000 2.081 533 R HA -0.173 4.166 4.340 -0.001 0.000 0.235 533 R C 2.116 178.468 176.300 0.087 0.000 1.131 533 R CA 1.445 57.613 56.100 0.114 0.000 0.960 533 R CB -0.653 29.681 30.300 0.056 0.000 0.856 533 R HN 0.422 nan 8.270 nan 0.000 0.436 534 Q N 0.385 120.231 119.800 0.077 0.000 2.016 534 Q HA -0.095 4.244 4.340 -0.001 0.000 0.200 534 Q C 2.117 178.157 176.000 0.068 0.000 0.978 534 Q CA 1.661 57.496 55.803 0.053 0.000 0.833 534 Q CB 0.096 28.853 28.738 0.031 0.000 0.895 534 Q HN 0.505 nan 8.270 nan 0.000 0.427 535 I N -4.946 115.686 120.570 0.104 0.000 4.240 535 I HA 0.432 4.601 4.170 -0.001 0.000 0.331 535 I C 0.684 176.873 176.117 0.120 0.000 1.381 535 I CA 0.093 61.455 61.300 0.103 0.000 1.136 535 I CB 0.543 38.608 38.000 0.108 0.000 1.137 535 I HN 0.152 nan 8.210 nan 0.000 0.411 536 G N 2.771 111.656 108.800 0.143 0.000 2.860 536 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.553 536 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.553 536 G C -0.777 174.163 174.900 0.066 0.000 1.439 536 G CA -0.352 44.810 45.100 0.102 0.000 0.879 536 G HN 0.343 nan 8.290 nan 0.000 0.545 537 I N 0.531 121.089 120.570 -0.020 0.000 2.354 537 I HA 0.269 4.438 4.170 -0.001 0.000 0.292 537 I C 0.240 176.409 176.117 0.088 0.000 0.989 537 I CA -0.863 60.412 61.300 -0.042 0.000 1.188 537 I CB 1.609 39.471 38.000 -0.230 0.000 1.342 537 I HN 0.567 nan 8.210 nan 0.000 0.457 538 Y N 6.212 126.545 120.300 0.056 0.000 2.677 538 Y HA 0.096 4.645 4.550 -0.002 0.000 0.335 538 Y C 0.348 176.275 175.900 0.046 0.000 1.162 538 Y CA 0.210 58.377 58.100 0.111 0.000 1.483 538 Y CB 0.451 39.060 38.460 0.248 0.000 1.209 538 Y HN 0.483 nan 8.280 nan 0.000 0.528 539 S N 8.539 124.013 115.700 -0.375 0.000 2.413 539 S HA 0.423 4.892 4.470 -0.001 0.000 0.170 539 S C -2.804 171.547 174.600 -0.416 0.000 1.294 539 S CA -1.121 56.849 58.200 -0.384 0.000 1.201 539 S CB 0.196 63.287 63.200 -0.182 0.000 1.328 539 S HN 0.517 nan 8.310 nan 0.000 0.418 559 D N -0.223 120.148 120.400 -0.048 0.000 2.752 559 D HA 0.182 4.822 4.640 -0.001 0.000 0.313 559 D C 0.579 176.830 176.300 -0.081 0.000 1.225 559 D CA -0.650 53.302 54.000 -0.080 0.000 0.976 559 D CB 0.244 41.010 40.800 -0.056 0.000 1.443 559 D HN 0.046 nan 8.370 nan 0.000 0.515 560 E N -0.776 119.342 120.200 -0.136 0.000 2.516 560 E HA 0.005 4.354 4.350 -0.001 0.000 0.199 560 E C 1.062 177.747 176.600 0.141 0.000 1.069 560 E CA 0.738 57.081 56.400 -0.096 0.000 0.876 560 E CB -0.117 29.306 29.700 -0.460 0.000 0.843 560 E HN 0.342 nan 8.360 nan 0.000 0.530 561 K N 0.720 121.165 120.400 0.075 0.000 2.353 561 K HA 0.222 4.542 4.320 -0.001 0.000 0.195 561 K C 0.743 177.401 176.600 0.096 0.000 1.031 561 K CA 0.405 56.726 56.287 0.057 0.000 1.079 561 K CB 0.256 32.764 32.500 0.013 0.000 0.857 561 K HN 0.182 nan 8.250 nan 0.000 0.535 562 G N 0.886 109.788 108.800 0.171 0.000 2.353 562 G HA2 -0.106 3.853 3.960 -0.001 0.000 0.239 562 G HA3 -0.106 3.853 3.960 -0.001 0.000 0.239 562 G C 0.131 175.198 174.900 0.278 0.000 1.295 562 G CA -0.181 45.034 45.100 0.193 0.000 0.884 562 G HN 0.417 nan 8.290 nan 0.000 0.537 563 Q N 1.540 121.473 119.800 0.222 0.000 2.250 563 Q HA 0.124 4.463 4.340 -0.001 0.000 0.200 563 Q C 0.978 177.178 176.000 0.334 0.000 0.941 563 Q CA 0.157 56.124 55.803 0.273 0.000 0.872 563 Q CB 0.044 28.891 28.738 0.183 0.000 0.965 563 Q HN 0.663 nan 8.270 nan 0.000 0.480 564 I N 2.115 122.836 120.570 0.253 0.000 2.441 564 I HA 0.061 4.230 4.170 -0.001 0.000 0.287 564 I C -0.472 175.763 176.117 0.197 0.000 1.049 564 I CA -0.232 61.199 61.300 0.218 0.000 1.381 564 I CB 0.961 39.075 38.000 0.189 0.000 1.409 564 I HN 0.137 nan 8.210 nan 0.000 0.523 565 L N 6.423 127.738 121.223 0.154 0.000 2.260 565 L HA 0.269 4.608 4.340 -0.001 0.000 0.289 565 L C -0.125 176.826 176.870 0.136 0.000 1.057 565 L CA -0.474 54.443 54.840 0.127 0.000 0.811 565 L CB 0.936 43.012 42.059 0.027 0.000 1.184 565 L HN 0.554 nan 8.230 nan 0.000 0.429 566 Q N 3.050 122.924 119.800 0.122 0.000 2.431 566 Q HA 0.146 4.485 4.340 -0.001 0.000 0.249 566 Q C 0.025 176.091 176.000 0.110 0.000 1.025 566 Q CA -0.062 55.804 55.803 0.106 0.000 0.835 566 Q CB 1.037 29.798 28.738 0.039 0.000 1.207 566 Q HN 0.391 nan 8.270 nan 0.000 0.490 567 E N 3.137 123.405 120.200 0.113 0.000 2.465 567 E HA 0.220 4.570 4.350 -0.001 0.000 0.191 567 E C 0.642 177.302 176.600 0.100 0.000 1.053 567 E CA 0.541 57.004 56.400 0.105 0.000 0.869 567 E CB 0.161 29.884 29.700 0.038 0.000 0.977 567 E HN 0.922 nan 8.360 nan 0.000 0.483 568 G N 1.859 110.724 108.800 0.108 0.000 2.645 568 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.239 568 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.239 568 G C 0.024 174.985 174.900 0.102 0.000 1.331 568 G CA -0.284 44.875 45.100 0.098 0.000 0.890 568 G HN 0.235 nan 8.290 nan 0.000 0.572 569 I N 2.173 122.788 120.570 0.074 0.000 2.227 569 I HA 0.302 4.471 4.170 -0.001 0.000 0.297 569 I C 0.459 176.586 176.117 0.017 0.000 1.173 569 I CA 0.070 61.401 61.300 0.052 0.000 1.356 569 I CB -0.032 37.981 38.000 0.021 0.000 1.485 569 I HN 0.435 nan 8.210 nan 0.000 0.604 570 N N 4.007 122.720 118.700 0.021 0.000 2.976 570 N HA 0.081 4.820 4.740 -0.001 0.000 0.220 570 N C 0.361 175.839 175.510 -0.054 0.000 1.428 570 N CA -0.146 52.890 53.050 -0.022 0.000 0.748 570 N CB 0.717 39.204 38.487 0.001 0.000 1.484 570 N HN 0.223 nan 8.380 nan 0.000 0.578 571 E N 0.580 120.757 120.200 -0.038 0.000 2.150 571 E HA -0.045 4.305 4.350 -0.001 0.000 0.193 571 E C 1.504 178.015 176.600 -0.147 0.000 0.985 571 E CA 0.699 57.085 56.400 -0.024 0.000 0.814 571 E CB 0.228 29.926 29.700 -0.004 0.000 0.752 571 E HN 0.480 nan 8.360 nan 0.000 0.466 572 L N 0.014 121.145 121.223 -0.154 0.000 2.056 572 L HA 0.037 4.376 4.340 -0.001 0.000 0.207 572 L C 2.061 178.730 176.870 -0.336 0.000 1.078 572 L CA 2.026 56.755 54.840 -0.186 0.000 0.749 572 L CB -0.946 41.046 42.059 -0.111 0.000 0.901 572 L HN 0.186 nan 8.230 nan 0.000 0.433 573 G N -1.117 107.429 108.800 -0.423 0.000 2.421 573 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.216 573 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.216 573 G C 1.629 175.954 174.900 -0.959 0.000 1.171 573 G CA 0.849 45.343 45.100 -1.010 0.000 0.775 573 G HN 0.593 nan 8.290 nan 0.000 0.543 574 A N 0.947 123.418 122.820 -0.582 0.000 1.883 574 A HA 0.087 4.407 4.320 -0.001 0.000 0.217 574 A C 2.737 179.877 177.584 -0.740 0.000 1.186 574 A CA 2.280 53.911 52.037 -0.676 0.000 0.624 574 A CB -1.205 17.293 19.000 -0.837 0.000 0.822 574 A HN 0.592 nan 8.150 nan 0.000 0.444 575 G N -1.126 107.321 108.800 -0.589 0.000 2.422 575 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.218 575 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.218 575 G C 1.559 176.380 174.900 -0.132 0.000 1.146 575 G CA 1.307 46.218 45.100 -0.315 0.000 0.769 575 G HN 0.537 nan 8.290 nan 0.000 0.547 576 C N 0.432 119.579 119.300 -0.254 0.000 2.440 576 C HA 0.043 4.502 4.460 -0.001 0.000 0.278 576 C C 3.372 178.314 174.990 -0.080 0.000 1.295 576 C CA 1.140 60.077 59.018 -0.135 0.000 1.738 576 C CB -0.776 26.861 27.740 -0.172 0.000 1.987 576 C HN 0.403 nan 8.230 nan 0.000 0.492 577 S N -0.719 114.876 115.700 -0.175 0.000 2.368 577 S HA -0.201 4.268 4.470 -0.001 0.000 0.224 577 S C 1.434 175.937 174.600 -0.160 0.000 1.029 577 S CA 1.329 59.484 58.200 -0.075 0.000 0.988 577 S CB -0.403 62.779 63.200 -0.031 0.000 0.838 577 S HN 0.840 nan 8.310 nan 0.000 0.462 578 W N 2.037 123.155 121.300 -0.303 0.000 2.358 578 W HA -0.125 4.534 4.660 -0.002 0.000 0.303 578 W C 1.800 178.186 176.519 -0.222 0.000 1.208 578 W CA 0.973 58.179 57.345 -0.232 0.000 1.274 578 W CB -0.414 28.946 29.460 -0.167 0.000 1.138 578 W HN 0.260 nan 8.180 nan 0.000 0.515 579 L N 1.600 122.841 121.223 0.031 0.000 2.056 579 L HA 0.019 4.358 4.340 -0.001 0.000 0.207 579 L C 2.463 179.176 176.870 -0.262 0.000 1.078 579 L CA 2.642 57.401 54.840 -0.134 0.000 0.749 579 L CB -1.474 40.645 42.059 0.100 0.000 0.901 579 L HN 0.065 nan 8.230 nan 0.000 0.433 580 A N -0.425 122.235 122.820 -0.265 0.000 1.908 580 A HA -0.123 4.196 4.320 -0.001 0.000 0.218 580 A C 2.437 179.548 177.584 -0.788 0.000 1.181 580 A CA 1.961 53.778 52.037 -0.367 0.000 0.627 580 A CB -1.142 17.670 19.000 -0.313 0.000 0.818 580 A HN 0.574 nan 8.150 nan 0.000 0.445 581 A N -0.294 121.855 122.820 -1.119 0.000 1.872 581 A HA 0.264 4.584 4.320 -0.001 0.000 0.214 581 A C 2.436 179.745 177.584 -0.458 0.000 1.187 581 A CA 1.745 53.167 52.037 -1.025 0.000 0.614 581 A CB -1.001 17.560 19.000 -0.732 0.000 0.826 581 A HN 1.124 nan 8.150 nan 0.000 0.442 582 A N -0.411 122.065 122.820 -0.575 0.000 2.178 582 A HA 0.016 4.335 4.320 -0.001 0.000 0.218 582 A C 1.889 179.437 177.584 -0.059 0.000 1.157 582 A CA 2.051 53.819 52.037 -0.447 0.000 0.689 582 A CB -0.842 17.499 19.000 -1.100 0.000 0.787 582 A HN 0.811 nan 8.150 nan 0.000 0.465 583 T N -4.916 109.566 114.554 -0.119 0.000 3.145 583 T HA 0.223 4.572 4.350 -0.001 0.000 0.281 583 T C 1.338 175.910 174.700 -0.213 0.000 1.003 583 T CA 0.668 62.679 62.100 -0.148 0.000 0.901 583 T CB 0.157 68.951 68.868 -0.122 0.000 1.112 583 T HN 0.166 nan 8.240 nan 0.000 0.535 584 S N 1.429 117.105 115.700 -0.041 0.000 2.423 584 S HA -0.121 4.348 4.470 -0.001 0.000 0.231 584 S C 1.858 176.482 174.600 0.039 0.000 1.014 584 S CA 1.218 59.458 58.200 0.067 0.000 0.965 584 S CB -0.632 62.708 63.200 0.233 0.000 0.785 584 S HN 0.817 nan 8.310 nan 0.000 0.495 585 Y N 0.830 121.187 120.300 0.095 0.000 2.256 585 Y HA 0.045 4.594 4.550 -0.001 0.000 0.288 585 Y C 2.532 178.540 175.900 0.180 0.000 1.155 585 Y CA 1.491 59.669 58.100 0.130 0.000 1.203 585 Y CB -1.094 37.469 38.460 0.172 0.000 0.980 585 Y HN 0.299 nan 8.280 nan 0.000 0.530 586 S N -0.135 115.096 115.700 -0.782 0.000 2.355 586 S HA -0.103 4.366 4.470 -0.001 0.000 0.216 586 S C 1.939 176.426 174.600 -0.189 0.000 1.037 586 S CA 1.328 59.251 58.200 -0.463 0.000 0.955 586 S CB -0.953 61.848 63.200 -0.664 0.000 0.877 586 S HN 0.594 nan 8.310 nan 0.000 0.488 587 T N 2.906 117.352 114.554 -0.180 0.000 2.699 587 T HA -0.036 4.314 4.350 -0.001 0.000 0.268 587 T C 1.113 175.835 174.700 0.037 0.000 1.036 587 T CA 1.572 63.654 62.100 -0.031 0.000 1.147 587 T CB -0.315 68.595 68.868 0.070 0.000 0.862 587 T HN 0.480 nan 8.240 nan 0.000 0.446 588 N N 0.463 119.194 118.700 0.053 0.000 2.177 588 N HA 0.102 4.841 4.740 -0.001 0.000 0.218 588 N C 0.144 175.702 175.510 0.080 0.000 1.182 588 N CA -0.022 53.073 53.050 0.076 0.000 0.882 588 N CB 0.264 38.810 38.487 0.098 0.000 1.052 588 N HN 0.205 nan 8.380 nan 0.000 0.519 589 N N 0.868 119.623 118.700 0.092 0.000 2.721 589 N HA -0.216 4.523 4.740 -0.001 0.000 0.249 589 N C -1.227 174.376 175.510 0.155 0.000 1.072 589 N CA 0.309 53.449 53.050 0.151 0.000 0.710 589 N CB -1.261 37.302 38.487 0.126 0.000 0.993 589 N HN 0.333 nan 8.380 nan 0.000 0.547 590 L N 0.549 121.850 121.223 0.130 0.000 2.492 590 L HA 0.560 4.899 4.340 -0.001 0.000 0.258 590 L C -2.401 174.508 176.870 0.064 0.000 1.028 590 L CA -1.550 53.341 54.840 0.086 0.000 0.900 590 L CB 1.494 43.596 42.059 0.072 0.000 1.191 590 L HN -0.054 nan 8.230 nan 0.000 0.459 591 P HA 0.169 nan 4.420 nan 0.000 0.267 591 P C -1.085 176.125 177.300 -0.150 0.000 1.205 591 P CA 0.050 63.065 63.100 -0.142 0.000 0.765 591 P CB 0.901 32.224 31.700 -0.627 0.000 0.828 592 M N 3.938 123.477 119.600 -0.101 0.000 2.457 592 M HA 0.453 4.932 4.480 -0.001 0.000 0.300 592 M C -0.091 176.063 176.300 -0.243 0.000 1.141 592 M CA -0.763 54.499 55.300 -0.064 0.000 0.901 592 M CB 2.028 34.744 32.600 0.193 0.000 1.687 592 M HN 0.231 nan 8.290 nan 0.000 0.449 593 I N 5.046 125.480 120.570 -0.227 0.000 2.428 593 I HA 0.310 4.479 4.170 -0.001 0.000 0.279 593 I C -2.196 173.867 176.117 -0.090 0.000 1.040 593 I CA -1.581 59.558 61.300 -0.268 0.000 1.171 593 I CB 1.602 39.442 38.000 -0.268 0.000 1.312 593 I HN 0.243 nan 8.210 nan 0.000 0.470 594 P HA 0.321 nan 4.420 nan 0.000 0.282 594 P C -1.081 176.216 177.300 -0.006 0.000 1.249 594 P CA -0.288 62.813 63.100 0.002 0.000 0.806 594 P CB 1.015 32.617 31.700 -0.163 0.000 0.984 595 F N 2.230 122.474 119.950 0.490 0.000 2.610 595 F HA 0.245 4.772 4.527 -0.001 0.000 0.355 595 F C -0.264 175.846 175.800 0.516 0.000 1.140 595 F CA -0.727 57.588 58.000 0.525 0.000 1.037 595 F CB 1.154 40.430 39.000 0.459 0.000 1.287 595 F HN 0.233 nan 8.300 nan 0.000 0.457 596 Y N 5.686 126.243 120.300 0.428 0.000 2.353 596 Y HA 0.634 5.183 4.550 -0.001 0.000 0.340 596 Y C -1.131 174.866 175.900 0.162 0.000 0.972 596 Y CA -2.134 56.130 58.100 0.273 0.000 1.157 596 Y CB 0.831 39.359 38.460 0.113 0.000 1.157 596 Y HN 0.551 nan 8.280 nan 0.000 0.495 597 I N 9.282 129.868 120.570 0.026 0.000 2.404 597 I HA 0.529 4.698 4.170 -0.001 0.000 0.293 597 I C -1.753 174.015 176.117 -0.582 0.000 0.992 597 I CA -0.678 60.298 61.300 -0.540 0.000 1.149 597 I CB 0.955 38.620 38.000 -0.557 0.000 1.315 597 I HN 0.674 nan 8.210 nan 0.000 0.446 598 Y N 3.704 123.538 120.300 -0.777 0.000 2.750 598 Y HA 0.427 4.976 4.550 -0.001 0.000 0.335 598 Y C -1.824 174.015 175.900 -0.102 0.000 1.252 598 Y CA -1.528 56.400 58.100 -0.287 0.000 1.064 598 Y CB 0.190 38.479 38.460 -0.285 0.000 1.321 598 Y HN 0.350 nan 8.280 nan 0.000 0.451 599 Y N 2.252 122.792 120.300 0.400 0.000 2.677 599 Y HA 0.128 4.677 4.550 -0.001 0.000 0.335 599 Y C 1.931 177.858 175.900 0.044 0.000 1.162 599 Y CA 1.103 59.346 58.100 0.239 0.000 1.483 599 Y CB 0.880 39.472 38.460 0.219 0.000 1.209 599 Y HN 0.815 nan 8.280 nan 0.000 0.528 600 S N 2.261 117.947 115.700 -0.023 0.000 2.392 600 S HA -0.374 4.095 4.470 -0.001 0.000 0.232 600 S C 1.960 176.614 174.600 0.089 0.000 1.041 600 S CA 1.656 59.874 58.200 0.031 0.000 1.026 600 S CB -0.404 62.812 63.200 0.027 0.000 0.845 600 S HN 0.834 nan 8.310 nan 0.000 0.465 601 M N 1.057 120.574 119.600 -0.138 0.000 2.202 601 M HA 0.097 4.577 4.480 -0.001 0.000 0.262 601 M C 0.432 176.611 176.300 -0.202 0.000 1.063 601 M CA 1.364 56.482 55.300 -0.303 0.000 1.097 601 M CB -0.694 31.553 32.600 -0.588 0.000 1.382 601 M HN 0.320 nan 8.290 nan 0.000 0.413 602 F N -0.361 119.689 119.950 0.167 0.000 2.701 602 F HA 0.423 4.949 4.527 -0.001 0.000 0.295 602 F C 1.542 177.299 175.800 -0.071 0.000 1.165 602 F CA -0.368 57.673 58.000 0.068 0.000 1.399 602 F CB -1.604 37.446 39.000 0.083 0.000 0.996 602 F HN 0.116 nan 8.300 nan 0.000 0.513 603 G N -0.282 108.568 108.800 0.083 0.000 3.348 603 G HA2 0.047 4.006 3.960 -0.001 0.000 0.180 603 G HA3 0.047 4.006 3.960 -0.001 0.000 0.180 603 G C 1.114 175.842 174.900 -0.286 0.000 1.915 603 G CA -0.168 44.764 45.100 -0.280 0.000 0.937 603 G HN 0.116 nan 8.290 nan 0.000 0.564 604 F N 0.910 120.768 119.950 -0.154 0.000 2.184 604 F HA -0.150 4.376 4.527 -0.001 0.000 0.301 604 F C 2.923 178.705 175.800 -0.031 0.000 1.076 604 F CA 1.892 59.825 58.000 -0.113 0.000 1.295 604 F CB -0.249 38.657 39.000 -0.156 0.000 1.026 604 F HN 0.333 nan 8.300 nan 0.000 0.494 605 Q N 0.262 120.166 119.800 0.173 0.000 2.124 605 Q HA -0.236 4.103 4.340 -0.001 0.000 0.202 605 Q C 2.260 178.330 176.000 0.117 0.000 0.977 605 Q CA 1.566 57.464 55.803 0.158 0.000 0.850 605 Q CB -0.006 28.844 28.738 0.186 0.000 0.901 605 Q HN 0.171 nan 8.270 nan 0.000 0.429 606 R N 0.514 121.069 120.500 0.092 0.000 2.156 606 R HA 0.120 4.460 4.340 -0.001 0.000 0.207 606 R C 1.364 177.662 176.300 -0.003 0.000 1.040 606 R CA 1.130 57.266 56.100 0.060 0.000 1.013 606 R CB 0.183 30.540 30.300 0.095 0.000 0.931 606 R HN 0.492 nan 8.270 nan 0.000 0.465 607 I N -3.370 117.167 120.570 -0.054 0.000 3.491 607 I HA 0.523 4.693 4.170 -0.001 0.000 0.332 607 I C 0.947 177.038 176.117 -0.045 0.000 1.565 607 I CA -0.228 61.026 61.300 -0.077 0.000 1.050 607 I CB 0.885 38.791 38.000 -0.156 0.000 1.348 607 I HN 0.031 nan 8.210 nan 0.000 0.506 608 G N 1.217 110.035 108.800 0.030 0.000 2.450 608 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.220 608 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.220 608 G C 1.126 176.126 174.900 0.167 0.000 1.130 608 G CA 1.370 46.551 45.100 0.134 0.000 0.760 608 G HN 0.466 nan 8.290 nan 0.000 0.557 609 D N -0.278 120.189 120.400 0.112 0.000 2.144 609 D HA -0.045 4.595 4.640 -0.001 0.000 0.200 609 D C 2.360 178.779 176.300 0.197 0.000 0.978 609 D CA 0.320 54.406 54.000 0.143 0.000 0.833 609 D CB -0.159 40.690 40.800 0.082 0.000 0.961 609 D HN 0.214 nan 8.370 nan 0.000 0.470 610 L N -0.188 121.108 121.223 0.121 0.000 2.093 610 L HA -0.082 4.257 4.340 -0.001 0.000 0.208 610 L C 2.202 179.157 176.870 0.142 0.000 1.085 610 L CA 1.306 56.213 54.840 0.112 0.000 0.755 610 L CB -0.349 41.726 42.059 0.026 0.000 0.904 610 L HN 0.118 nan 8.230 nan 0.000 0.435 611 C N -1.333 118.043 119.300 0.126 0.000 2.425 611 C HA -0.193 4.266 4.460 -0.001 0.000 0.277 611 C C 2.521 177.747 174.990 0.394 0.000 1.280 611 C CA 0.680 59.812 59.018 0.189 0.000 1.744 611 C CB -1.373 26.487 27.740 0.200 0.000 1.989 611 C HN 0.807 nan 8.230 nan 0.000 0.491 612 W N 1.578 122.998 121.300 0.201 0.000 2.355 612 W HA -0.131 4.528 4.660 -0.001 0.000 0.309 612 W C 2.420 179.055 176.519 0.193 0.000 1.206 612 W CA 1.621 59.080 57.345 0.189 0.000 1.284 612 W CB -0.481 29.056 29.460 0.127 0.000 1.145 612 W HN 0.329 nan 8.180 nan 0.000 0.502 613 A N 0.774 123.795 122.820 0.336 0.000 1.972 613 A HA -0.073 4.246 4.320 -0.001 0.000 0.219 613 A C 2.085 179.777 177.584 0.181 0.000 1.169 613 A CA 2.300 54.479 52.037 0.237 0.000 0.635 613 A CB -1.137 18.015 19.000 0.255 0.000 0.810 613 A HN 0.310 nan 8.150 nan 0.000 0.446 614 A N -0.552 122.391 122.820 0.205 0.000 1.968 614 A HA 0.208 4.527 4.320 -0.001 0.000 0.217 614 A C 2.341 180.073 177.584 0.247 0.000 1.169 614 A CA 1.641 53.801 52.037 0.206 0.000 0.638 614 A CB -1.168 17.954 19.000 0.204 0.000 0.812 614 A HN 0.656 nan 8.150 nan 0.000 0.446 615 G N -0.129 108.837 108.800 0.277 0.000 2.418 615 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.217 615 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.217 615 G C 1.341 176.249 174.900 0.013 0.000 1.158 615 G CA 1.343 46.554 45.100 0.184 0.000 0.771 615 G HN 0.502 nan 8.290 nan 0.000 0.545 616 D N 0.113 120.478 120.400 -0.058 0.000 2.144 616 D HA -0.108 4.531 4.640 -0.001 0.000 0.199 616 D C 2.265 178.613 176.300 0.081 0.000 0.984 616 D CA 0.858 54.850 54.000 -0.013 0.000 0.834 616 D CB -0.271 40.552 40.800 0.037 0.000 0.955 616 D HN 0.427 nan 8.370 nan 0.000 0.465 617 Q N -0.540 119.325 119.800 0.109 0.000 2.482 617 Q HA -0.006 4.333 4.340 -0.001 0.000 0.209 617 Q C -0.197 175.862 176.000 0.099 0.000 0.961 617 Q CA 0.126 55.989 55.803 0.100 0.000 0.945 617 Q CB 0.107 28.918 28.738 0.122 0.000 1.012 617 Q HN 0.173 nan 8.270 nan 0.000 0.515 618 Q N -1.666 118.212 119.800 0.131 0.000 2.478 618 Q HA -0.206 4.133 4.340 -0.001 0.000 0.286 618 Q C -0.611 175.531 176.000 0.237 0.000 1.299 618 Q CA 0.900 56.808 55.803 0.175 0.000 0.826 618 Q CB -2.381 26.468 28.738 0.185 0.000 1.199 618 Q HN 0.482 nan 8.270 nan 0.000 0.451 619 A N 1.170 124.108 122.820 0.197 0.000 2.511 619 A HA 0.377 4.697 4.320 -0.001 0.000 0.242 619 A C 0.432 178.091 177.584 0.125 0.000 1.069 619 A CA 0.281 52.365 52.037 0.079 0.000 0.763 619 A CB 0.388 19.305 19.000 -0.139 0.000 1.001 619 A HN 0.313 nan 8.150 nan 0.000 0.498 620 R N 1.742 122.246 120.500 0.006 0.000 2.422 620 R HA 0.572 4.911 4.340 -0.001 0.000 0.307 620 R C 0.102 176.384 176.300 -0.029 0.000 1.004 620 R CA 0.121 56.188 56.100 -0.056 0.000 0.882 620 R CB 1.929 31.966 30.300 -0.438 0.000 1.164 620 R HN 1.046 nan 8.270 nan 0.000 0.489 621 G N 1.697 110.496 108.800 -0.002 0.000 2.488 621 G HA2 0.490 4.449 3.960 -0.001 0.000 0.301 621 G HA3 0.490 4.449 3.960 -0.001 0.000 0.301 621 G C -1.832 173.187 174.900 0.199 0.000 1.339 621 G CA -0.605 44.486 45.100 -0.014 0.000 0.803 621 G HN 0.220 nan 8.290 nan 0.000 0.482 622 F N 0.067 120.255 119.950 0.397 0.000 2.482 622 F HA 0.650 5.177 4.527 -0.001 0.000 0.331 622 F C 0.180 176.248 175.800 0.447 0.000 1.115 622 F CA -0.661 57.576 58.000 0.395 0.000 0.955 622 F CB 2.237 41.290 39.000 0.089 0.000 1.136 622 F HN 0.104 nan 8.300 nan 0.000 0.452 623 L N 5.229 126.715 121.223 0.439 0.000 2.298 623 L HA 0.495 4.834 4.340 -0.001 0.000 0.284 623 L C -0.863 176.124 176.870 0.195 0.000 1.013 623 L CA -0.627 54.301 54.840 0.147 0.000 0.824 623 L CB 1.266 43.329 42.059 0.007 0.000 1.221 623 L HN 0.422 nan 8.230 nan 0.000 0.418 624 I N 3.269 123.768 120.570 -0.119 0.000 2.330 624 I HA 0.239 4.409 4.170 -0.001 0.000 0.286 624 I C 0.844 176.499 176.117 -0.770 0.000 1.025 624 I CA -0.219 60.824 61.300 -0.428 0.000 1.197 624 I CB 1.276 38.818 38.000 -0.763 0.000 1.358 624 I HN 0.591 nan 8.210 nan 0.000 0.467 625 G N 5.595 114.067 108.800 -0.547 0.000 2.621 625 G HA2 0.435 4.395 3.960 -0.001 0.000 0.306 625 G HA3 0.435 4.395 3.960 -0.001 0.000 0.306 625 G C 0.589 175.187 174.900 -0.503 0.000 0.893 625 G CA -0.295 44.454 45.100 -0.586 0.000 1.486 625 G HN 0.735 nan 8.290 nan 0.000 0.477 626 G N 1.388 109.780 108.800 -0.681 0.000 2.653 626 G HA2 0.442 4.402 3.960 -0.001 0.000 0.265 626 G HA3 0.442 4.402 3.960 -0.001 0.000 0.265 626 G C 0.994 175.842 174.900 -0.087 0.000 1.237 626 G CA 0.472 45.337 45.100 -0.392 0.000 0.946 626 G HN 1.610 nan 8.290 nan 0.000 0.522 627 T N -2.510 112.081 114.554 0.061 0.000 3.558 627 T HA -0.198 4.151 4.350 -0.001 0.000 0.391 627 T C 0.570 175.289 174.700 0.031 0.000 0.766 627 T CA 0.839 62.968 62.100 0.048 0.000 1.951 627 T CB -2.543 66.333 68.868 0.014 0.000 1.743 627 T HN 1.769 nan 8.240 nan 0.000 0.688 628 S N -0.228 115.475 115.700 0.006 0.000 2.693 628 S HA 0.790 5.260 4.470 -0.001 0.000 0.276 628 S C 0.761 175.339 174.600 -0.037 0.000 1.192 628 S CA -0.081 58.124 58.200 0.009 0.000 0.994 628 S CB 1.607 64.851 63.200 0.074 0.000 1.012 628 S HN 2.452 nan 8.310 nan 0.000 0.550 629 G N 0.688 109.379 108.800 -0.182 0.000 3.055 629 G HA2 -0.101 3.859 3.960 -0.001 0.000 0.686 629 G HA3 -0.101 3.859 3.960 -0.001 0.000 0.686 629 G C -0.065 174.618 174.900 -0.361 0.000 1.087 629 G CA -0.068 44.794 45.100 -0.397 0.000 0.779 629 G HN 0.876 nan 8.290 nan 0.000 0.599 630 R N 0.490 120.685 120.500 -0.509 0.000 2.073 630 R HA -0.068 4.271 4.340 -0.001 0.000 0.234 630 R C 2.973 179.105 176.300 -0.280 0.000 1.134 630 R CA 3.248 59.089 56.100 -0.431 0.000 0.952 630 R CB -0.367 29.510 30.300 -0.705 0.000 0.850 630 R HN 1.087 nan 8.270 nan 0.000 0.433 631 T N -4.067 110.342 114.554 -0.240 0.000 3.065 631 T HA 0.078 4.428 4.350 -0.001 0.000 0.252 631 T C 1.422 176.110 174.700 -0.019 0.000 1.099 631 T CA 0.883 62.943 62.100 -0.067 0.000 1.063 631 T CB 0.159 69.003 68.868 -0.039 0.000 0.948 631 T HN 0.143 nan 8.240 nan 0.000 0.506 632 T N 1.873 116.403 114.554 -0.040 0.000 2.978 632 T HA 0.225 4.575 4.350 -0.001 0.000 0.262 632 T C 0.635 175.354 174.700 0.031 0.000 1.063 632 T CA 0.139 62.248 62.100 0.014 0.000 1.140 632 T CB -0.189 68.694 68.868 0.025 0.000 0.886 632 T HN 0.262 nan 8.240 nan 0.000 0.470 633 L N 4.524 125.760 121.223 0.022 0.000 2.512 633 L HA 0.329 4.668 4.340 -0.001 0.000 0.247 633 L C 1.286 178.184 176.870 0.045 0.000 1.204 633 L CA -0.568 54.301 54.840 0.048 0.000 1.153 633 L CB -0.510 41.598 42.059 0.081 0.000 1.415 633 L HN 0.096 nan 8.230 nan 0.000 0.406 634 N N 0.893 119.620 118.700 0.045 0.000 2.142 634 N HA -0.131 4.609 4.740 -0.001 0.000 0.186 634 N C 1.355 176.892 175.510 0.044 0.000 1.023 634 N CA 1.316 54.398 53.050 0.054 0.000 0.852 634 N CB -0.363 38.159 38.487 0.059 0.000 0.998 634 N HN 0.520 nan 8.380 nan 0.000 0.424 635 G N 0.386 109.201 108.800 0.025 0.000 2.712 635 G HA2 -0.085 3.875 3.960 -0.001 0.000 0.212 635 G HA3 -0.085 3.875 3.960 -0.001 0.000 0.212 635 G C 1.399 176.287 174.900 -0.021 0.000 1.142 635 G CA -0.016 45.088 45.100 0.007 0.000 0.789 635 G HN 0.206 nan 8.290 nan 0.000 0.535 636 E N 0.516 120.693 120.200 -0.040 0.000 2.208 636 E HA 0.147 4.497 4.350 -0.001 0.000 0.193 636 E C 1.784 178.359 176.600 -0.042 0.000 0.988 636 E CA 0.744 57.057 56.400 -0.145 0.000 0.828 636 E CB -0.143 29.407 29.700 -0.251 0.000 0.763 636 E HN 0.429 nan 8.360 nan 0.000 0.478 637 G N 0.898 109.731 108.800 0.054 0.000 2.615 637 G HA2 -0.316 3.643 3.960 -0.001 0.000 0.218 637 G HA3 -0.316 3.643 3.960 -0.001 0.000 0.218 637 G C 0.597 175.601 174.900 0.173 0.000 1.339 637 G CA -0.059 45.104 45.100 0.106 0.000 0.884 637 G HN 0.291 nan 8.290 nan 0.000 0.559 638 L N -0.213 121.110 121.223 0.167 0.000 2.043 638 L HA -0.116 4.223 4.340 -0.001 0.000 0.212 638 L C 2.684 179.689 176.870 0.225 0.000 1.075 638 L CA 2.810 57.771 54.840 0.202 0.000 0.752 638 L CB -0.211 41.914 42.059 0.110 0.000 0.891 638 L HN 0.718 nan 8.230 nan 0.000 0.432 639 Q N -2.111 117.818 119.800 0.214 0.000 2.403 639 Q HA -0.058 4.281 4.340 -0.001 0.000 0.203 639 Q C 0.944 176.959 176.000 0.024 0.000 0.932 639 Q CA 0.204 56.106 55.803 0.165 0.000 0.945 639 Q CB 0.343 29.169 28.738 0.147 0.000 1.045 639 Q HN 0.644 nan 8.270 nan 0.000 0.511 640 H N -0.657 118.433 119.070 0.032 0.000 2.657 640 H HA 0.164 4.719 4.556 -0.001 0.000 0.262 640 H C -0.173 175.113 175.328 -0.069 0.000 0.965 640 H CA -0.098 55.902 56.048 -0.081 0.000 1.184 640 H CB 0.746 30.500 29.762 -0.014 0.000 1.443 640 H HN 0.049 nan 8.280 nan 0.000 0.462 641 E N 2.233 122.505 120.200 0.119 0.000 2.159 641 E HA 0.013 4.362 4.350 -0.001 0.000 0.272 641 E C -0.699 175.869 176.600 -0.053 0.000 1.138 641 E CA -0.177 56.239 56.400 0.026 0.000 0.915 641 E CB 0.376 30.103 29.700 0.044 0.000 1.028 641 E HN 0.241 nan 8.360 nan 0.000 0.423 642 D N 2.587 122.901 120.400 -0.144 0.000 2.380 642 D HA 0.173 4.813 4.640 -0.001 0.000 0.230 642 D C 0.399 176.464 176.300 -0.392 0.000 1.154 642 D CA -0.472 53.368 54.000 -0.267 0.000 0.859 642 D CB 0.785 41.458 40.800 -0.212 0.000 1.045 642 D HN 0.456 nan 8.370 nan 0.000 0.495 643 G N 2.980 111.595 108.800 -0.308 0.000 3.774 643 G HA2 0.039 3.998 3.960 -0.001 0.000 0.287 643 G HA3 0.039 3.998 3.960 -0.001 0.000 0.287 643 G C 0.499 175.428 174.900 0.049 0.000 1.030 643 G CA -0.382 44.466 45.100 -0.419 0.000 0.824 643 G HN 0.712 nan 8.290 nan 0.000 0.518 644 H N -2.203 116.927 119.070 0.101 0.000 3.770 644 H HA 0.040 4.595 4.556 -0.001 0.000 0.264 644 H C 1.592 176.990 175.328 0.117 0.000 1.164 644 H CA 0.675 56.803 56.048 0.133 0.000 1.158 644 H CB -0.478 29.295 29.762 0.019 0.000 1.653 644 H HN 0.217 nan 8.280 nan 0.000 0.795 645 S N 0.707 116.386 115.700 -0.035 0.000 2.419 645 S HA -0.200 4.269 4.470 -0.001 0.000 0.235 645 S C 1.567 176.080 174.600 -0.144 0.000 1.019 645 S CA 1.202 59.384 58.200 -0.029 0.000 0.982 645 S CB -0.840 62.423 63.200 0.104 0.000 0.789 645 S HN 0.488 nan 8.310 nan 0.000 0.490 646 H N 0.829 119.815 119.070 -0.139 0.000 2.491 646 H HA 0.119 4.674 4.556 -0.001 0.000 0.290 646 H C 1.754 176.994 175.328 -0.148 0.000 1.050 646 H CA 1.228 57.116 56.048 -0.267 0.000 1.309 646 H CB -0.021 29.230 29.762 -0.853 0.000 1.392 646 H HN 0.388 nan 8.280 nan 0.000 0.554 647 I N 0.709 121.295 120.570 0.026 0.000 2.500 647 I HA -0.154 4.015 4.170 -0.001 0.000 0.252 647 I C 2.081 178.181 176.117 -0.029 0.000 1.142 647 I CA 0.926 62.258 61.300 0.053 0.000 1.451 647 I CB -0.742 37.315 38.000 0.095 0.000 1.093 647 I HN 0.231 nan 8.210 nan 0.000 0.430 648 Q N 0.499 120.244 119.800 -0.090 0.000 2.096 648 Q HA -0.108 4.231 4.340 -0.001 0.000 0.197 648 Q C 2.374 178.117 176.000 -0.428 0.000 0.964 648 Q CA 1.884 57.592 55.803 -0.159 0.000 0.838 648 Q CB -0.140 28.562 28.738 -0.060 0.000 0.906 648 Q HN 0.552 nan 8.270 nan 0.000 0.444 649 S N 1.121 116.329 115.700 -0.821 0.000 2.423 649 S HA -0.121 4.349 4.470 -0.001 0.000 0.231 649 S C 1.931 176.271 174.600 -0.433 0.000 1.014 649 S CA 1.005 58.525 58.200 -1.133 0.000 0.965 649 S CB -0.437 61.937 63.200 -1.377 0.000 0.785 649 S HN 0.415 nan 8.310 nan 0.000 0.495 650 L N 1.855 122.951 121.223 -0.211 0.000 2.465 650 L HA 0.190 4.529 4.340 -0.001 0.000 0.224 650 L C 2.090 178.932 176.870 -0.047 0.000 1.145 650 L CA 1.492 56.282 54.840 -0.082 0.000 0.834 650 L CB -2.019 40.048 42.059 0.014 0.000 0.944 650 L HN 0.446 nan 8.230 nan 0.000 0.451 651 T N -2.665 111.867 114.554 -0.037 0.000 3.085 651 T HA 0.214 4.563 4.350 -0.001 0.000 0.263 651 T C 0.840 175.667 174.700 0.212 0.000 1.127 651 T CA 0.186 62.331 62.100 0.074 0.000 1.103 651 T CB -0.640 68.270 68.868 0.069 0.000 0.921 651 T HN 0.326 nan 8.240 nan 0.000 0.510 652 I N 2.575 123.202 120.570 0.096 0.000 2.297 652 I HA 0.261 4.430 4.170 -0.001 0.000 0.291 652 I C -1.612 174.450 176.117 -0.092 0.000 1.033 652 I CA -2.664 58.679 61.300 0.073 0.000 1.253 652 I CB 1.814 39.853 38.000 0.065 0.000 1.396 652 I HN -0.089 nan 8.210 nan 0.000 0.476 653 P HA -0.192 nan 4.420 nan 0.000 0.216 653 P C 0.578 177.775 177.300 -0.171 0.000 1.157 653 P CA 1.468 64.493 63.100 -0.125 0.000 0.880 653 P CB -0.009 31.616 31.700 -0.126 0.000 0.791 654 N N -1.915 116.649 118.700 -0.226 0.000 2.320 654 N HA 0.030 4.769 4.740 -0.001 0.000 0.237 654 N C -0.742 174.520 175.510 -0.413 0.000 1.129 654 N CA -0.355 52.554 53.050 -0.236 0.000 0.854 654 N CB -1.122 37.275 38.487 -0.151 0.000 1.083 654 N HN 0.073 nan 8.380 nan 0.000 0.504 655 C N 1.461 120.465 119.300 -0.492 0.000 2.329 655 C HA 0.607 5.066 4.460 -0.001 0.000 0.329 655 C C -0.527 174.248 174.990 -0.358 0.000 1.275 655 C CA -0.943 57.678 59.018 -0.662 0.000 1.726 655 C CB -0.550 26.834 27.740 -0.592 0.000 2.291 655 C HN 0.330 nan 8.230 nan 0.000 0.514 656 I N 6.124 126.484 120.570 -0.349 0.000 2.330 656 I HA 0.335 4.504 4.170 -0.001 0.000 0.289 656 I C 0.389 176.307 176.117 -0.332 0.000 1.001 656 I CA 0.258 61.299 61.300 -0.432 0.000 1.193 656 I CB 1.051 38.615 38.000 -0.727 0.000 1.345 656 I HN 0.681 nan 8.210 nan 0.000 0.461 657 S N 6.472 122.012 115.700 -0.266 0.000 2.475 657 S HA 0.743 5.213 4.470 -0.001 0.000 0.298 657 S C -0.964 173.510 174.600 -0.210 0.000 1.119 657 S CA -0.444 57.736 58.200 -0.032 0.000 1.085 657 S CB 1.397 64.714 63.200 0.194 0.000 1.028 657 S HN 0.367 nan 8.310 nan 0.000 0.489 658 Y N 0.487 120.876 120.300 0.148 0.000 2.553 658 Y HA 0.432 4.982 4.550 -0.001 0.000 0.347 658 Y C -0.350 175.599 175.900 0.082 0.000 1.019 658 Y CA -0.970 57.188 58.100 0.096 0.000 1.032 658 Y CB 1.804 40.306 38.460 0.069 0.000 1.284 658 Y HN 0.562 nan 8.280 nan 0.000 0.466 659 D N 3.361 123.861 120.400 0.166 0.000 2.613 659 D HA 0.267 4.907 4.640 -0.001 0.000 0.312 659 D C -2.887 173.465 176.300 0.087 0.000 1.202 659 D CA -2.095 51.938 54.000 0.056 0.000 0.825 659 D CB 0.797 41.518 40.800 -0.132 0.000 1.113 659 D HN 0.057 nan 8.370 nan 0.000 0.502 660 P HA 0.153 nan 4.420 nan 0.000 0.271 660 P C 0.158 177.445 177.300 -0.021 0.000 1.218 660 P CA -0.184 62.936 63.100 0.033 0.000 0.780 660 P CB 1.998 33.711 31.700 0.022 0.000 0.901 661 A N 2.255 124.982 122.820 -0.154 0.000 2.014 661 A HA 0.139 4.458 4.320 -0.001 0.000 0.210 661 A C 0.290 177.728 177.584 -0.244 0.000 1.188 661 A CA 0.994 52.859 52.037 -0.286 0.000 0.731 661 A CB -0.408 18.179 19.000 -0.690 0.000 0.858 661 A HN 0.533 nan 8.150 nan 0.000 0.464 662 Y N -2.563 117.691 120.300 -0.076 0.000 2.549 662 Y HA 0.620 5.169 4.550 -0.001 0.000 0.339 662 Y C 1.394 177.131 175.900 -0.270 0.000 1.053 662 Y CA -1.310 56.651 58.100 -0.231 0.000 1.105 662 Y CB 1.246 39.329 38.460 -0.629 0.000 1.258 662 Y HN 0.051 nan 8.280 nan 0.000 0.478 663 A N 1.193 124.012 122.820 -0.002 0.000 1.933 663 A HA -0.226 4.093 4.320 -0.001 0.000 0.218 663 A C 1.797 179.388 177.584 0.011 0.000 1.175 663 A CA 2.163 54.195 52.037 -0.008 0.000 0.628 663 A CB -1.332 17.672 19.000 0.007 0.000 0.814 663 A HN 0.896 nan 8.150 nan 0.000 0.444 664 Y N -0.365 119.986 120.300 0.085 0.000 2.242 664 Y HA -0.037 4.512 4.550 -0.001 0.000 0.291 664 Y C 1.834 177.751 175.900 0.028 0.000 1.137 664 Y CA 1.137 59.258 58.100 0.036 0.000 1.181 664 Y CB -0.989 37.480 38.460 0.015 0.000 0.989 664 Y HN 0.384 nan 8.280 nan 0.000 0.527 665 E N 0.850 121.000 120.200 -0.084 0.000 2.077 665 E HA -0.190 4.159 4.350 -0.001 0.000 0.193 665 E C 2.415 179.000 176.600 -0.026 0.000 0.989 665 E CA 1.542 57.949 56.400 0.011 0.000 0.800 665 E CB -0.454 29.230 29.700 -0.028 0.000 0.746 665 E HN 0.402 nan 8.360 nan 0.000 0.452 666 V N 1.274 121.168 119.914 -0.034 0.000 2.287 666 V HA -0.304 3.816 4.120 -0.001 0.000 0.248 666 V C 2.174 178.223 176.094 -0.075 0.000 1.053 666 V CA 2.351 64.635 62.300 -0.027 0.000 1.027 666 V CB -0.494 31.336 31.823 0.011 0.000 0.646 666 V HN 0.327 nan 8.190 nan 0.000 0.447 667 A N -0.630 122.134 122.820 -0.093 0.000 1.902 667 A HA -0.140 4.179 4.320 -0.001 0.000 0.217 667 A C 2.363 179.760 177.584 -0.310 0.000 1.181 667 A CA 2.269 54.144 52.037 -0.269 0.000 0.623 667 A CB -0.901 18.009 19.000 -0.149 0.000 0.818 667 A HN 0.518 nan 8.150 nan 0.000 0.443 668 V N 0.075 119.915 119.914 -0.122 0.000 2.427 668 V HA -0.244 3.876 4.120 -0.001 0.000 0.248 668 V C 2.388 178.449 176.094 -0.055 0.000 1.051 668 V CA 1.933 64.195 62.300 -0.063 0.000 1.048 668 V CB -0.606 31.215 31.823 -0.003 0.000 0.666 668 V HN 0.567 nan 8.190 nan 0.000 0.456 669 I N -0.904 119.600 120.570 -0.110 0.000 2.202 669 I HA -0.264 3.905 4.170 -0.001 0.000 0.242 669 I C 2.463 178.587 176.117 0.011 0.000 1.091 669 I CA 1.716 62.928 61.300 -0.146 0.000 1.368 669 I CB -0.253 37.563 38.000 -0.306 0.000 1.058 669 I HN 0.253 nan 8.210 nan 0.000 0.410 670 M N -0.547 119.040 119.600 -0.022 0.000 2.175 670 M HA -0.228 4.252 4.480 -0.001 0.000 0.264 670 M C 2.479 178.758 176.300 -0.036 0.000 1.063 670 M CA 1.539 56.843 55.300 0.007 0.000 1.119 670 M CB -0.722 31.787 32.600 -0.151 0.000 1.377 670 M HN 0.342 nan 8.290 nan 0.000 0.415 671 H N -0.071 118.833 119.070 -0.276 0.000 2.321 671 H HA -0.188 4.367 4.556 -0.001 0.000 0.300 671 H C 1.454 176.788 175.328 0.009 0.000 1.087 671 H CA 2.178 58.133 56.048 -0.155 0.000 1.319 671 H CB -0.065 29.562 29.762 -0.225 0.000 1.379 671 H HN 0.317 nan 8.280 nan 0.000 0.501 672 D N -0.318 120.032 120.400 -0.085 0.000 2.117 672 D HA -0.070 4.569 4.640 -0.001 0.000 0.198 672 D C 2.429 178.668 176.300 -0.101 0.000 0.982 672 D CA 1.430 55.386 54.000 -0.073 0.000 0.828 672 D CB -0.667 40.181 40.800 0.080 0.000 0.967 672 D HN 0.529 nan 8.370 nan 0.000 0.464 673 G N 0.152 108.823 108.800 -0.215 0.000 2.422 673 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.218 673 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.218 673 G C 1.536 176.306 174.900 -0.217 0.000 1.146 673 G CA 0.683 45.339 45.100 -0.740 0.000 0.769 673 G HN 0.305 nan 8.290 nan 0.000 0.547 674 L N 0.652 121.936 121.223 0.103 0.000 2.017 674 L HA 0.005 4.344 4.340 -0.001 0.000 0.208 674 L C 2.677 179.608 176.870 0.102 0.000 1.073 674 L CA 2.474 57.453 54.840 0.233 0.000 0.745 674 L CB -0.634 41.560 42.059 0.225 0.000 0.894 674 L HN 0.447 nan 8.230 nan 0.000 0.432 675 E N -0.854 119.306 120.200 -0.067 0.000 2.031 675 E HA -0.256 4.093 4.350 -0.001 0.000 0.193 675 E C 2.345 178.934 176.600 -0.019 0.000 0.994 675 E CA 1.274 57.635 56.400 -0.066 0.000 0.800 675 E CB -0.066 29.517 29.700 -0.196 0.000 0.752 675 E HN 0.408 nan 8.360 nan 0.000 0.447 676 R N -0.317 120.159 120.500 -0.039 0.000 2.083 676 R HA -0.139 4.200 4.340 -0.001 0.000 0.237 676 R C 2.516 178.772 176.300 -0.074 0.000 1.137 676 R CA 2.158 58.242 56.100 -0.027 0.000 0.951 676 R CB -0.254 30.064 30.300 0.029 0.000 0.851 676 R HN 0.322 nan 8.270 nan 0.000 0.434 677 M N -1.578 117.948 119.600 -0.124 0.000 2.236 677 M HA -0.070 4.409 4.480 -0.001 0.000 0.266 677 M C 0.819 176.801 176.300 -0.531 0.000 1.070 677 M CA 1.462 56.559 55.300 -0.338 0.000 1.137 677 M CB 0.303 32.670 32.600 -0.388 0.000 1.378 677 M HN 0.128 nan 8.290 nan 0.000 0.426 678 Y N -0.624 119.709 120.300 0.054 0.000 2.500 678 Y HA 0.382 4.932 4.550 -0.000 0.000 0.246 678 Y C 1.303 177.356 175.900 0.255 0.000 1.146 678 Y CA -0.673 57.533 58.100 0.177 0.000 1.230 678 Y CB 0.033 38.521 38.460 0.046 0.000 1.214 678 Y HN 0.036 nan 8.280 nan 0.000 0.526 679 G N -0.176 108.747 108.800 0.205 0.000 2.510 679 G HA2 0.093 4.053 3.960 -0.001 0.000 0.280 679 G HA3 0.093 4.053 3.960 -0.001 0.000 0.280 679 G C 0.713 175.655 174.900 0.070 0.000 1.386 679 G CA -0.323 44.863 45.100 0.142 0.000 1.047 679 G HN 0.230 nan 8.290 nan 0.000 0.527 680 E N -0.718 119.495 120.200 0.022 0.000 2.204 680 E HA -0.137 4.212 4.350 -0.001 0.000 0.195 680 E C 2.191 178.743 176.600 -0.079 0.000 0.990 680 E CA 0.762 57.136 56.400 -0.043 0.000 0.821 680 E CB 0.044 29.730 29.700 -0.023 0.000 0.750 680 E HN 0.486 nan 8.360 nan 0.000 0.477 681 K N 0.926 121.294 120.400 -0.053 0.000 2.147 681 K HA -0.176 4.143 4.320 -0.001 0.000 0.205 681 K C 0.382 176.922 176.600 -0.099 0.000 1.049 681 K CA 0.872 57.121 56.287 -0.063 0.000 0.936 681 K CB 0.102 32.577 32.500 -0.041 0.000 0.722 681 K HN 0.028 nan 8.250 nan 0.000 0.446 682 Q N 1.173 120.896 119.800 -0.128 0.000 2.423 682 Q HA -0.209 4.130 4.340 -0.001 0.000 0.332 682 Q C -0.887 175.012 176.000 -0.168 0.000 1.355 682 Q CA 0.639 56.328 55.803 -0.191 0.000 0.947 682 Q CB -1.378 27.205 28.738 -0.259 0.000 1.189 682 Q HN 0.455 nan 8.270 nan 0.000 0.418 683 E N 0.837 120.953 120.200 -0.139 0.000 2.360 683 E HA 0.042 4.391 4.350 -0.001 0.000 0.269 683 E C -0.082 176.446 176.600 -0.120 0.000 1.022 683 E CA -0.317 56.025 56.400 -0.097 0.000 0.887 683 E CB 0.588 30.257 29.700 -0.052 0.000 0.990 683 E HN 0.177 nan 8.360 nan 0.000 0.426 684 N N 4.496 123.154 118.700 -0.070 0.000 3.034 684 N HA 0.115 4.854 4.740 -0.001 0.000 0.265 684 N C -0.765 174.739 175.510 -0.009 0.000 1.166 684 N CA 0.052 53.079 53.050 -0.040 0.000 1.081 684 N CB 0.525 39.019 38.487 0.011 0.000 1.378 684 N HN 0.304 nan 8.380 nan 0.000 0.520 685 V N -0.829 119.086 119.914 0.002 0.000 3.130 685 V HA 0.760 4.880 4.120 -0.001 0.000 0.310 685 V C -1.113 175.080 176.094 0.165 0.000 1.158 685 V CA -1.106 61.212 62.300 0.030 0.000 1.029 685 V CB 1.846 33.674 31.823 0.009 0.000 1.057 685 V HN 0.304 nan 8.190 nan 0.000 0.436 686 Y N 0.037 120.422 120.300 0.142 0.000 2.570 686 Y HA 0.880 5.429 4.550 -0.001 0.000 0.345 686 Y C -1.543 174.529 175.900 0.287 0.000 1.014 686 Y CA -1.691 56.542 58.100 0.223 0.000 1.063 686 Y CB 1.455 40.143 38.460 0.381 0.000 1.272 686 Y HN 0.647 nan 8.280 nan 0.000 0.477 687 Y N 1.641 122.063 120.300 0.203 0.000 2.420 687 Y HA 0.455 5.005 4.550 -0.001 0.000 0.334 687 Y C -1.044 175.115 175.900 0.431 0.000 1.094 687 Y CA -1.411 56.801 58.100 0.186 0.000 1.126 687 Y CB 1.556 39.983 38.460 -0.054 0.000 1.217 687 Y HN 0.697 nan 8.280 nan 0.000 0.462 688 Y N 4.158 124.646 120.300 0.313 0.000 2.338 688 Y HA 0.662 5.211 4.550 -0.001 0.000 0.333 688 Y C -1.536 174.519 175.900 0.260 0.000 0.968 688 Y CA -1.909 56.362 58.100 0.285 0.000 1.123 688 Y CB 0.639 39.257 38.460 0.263 0.000 1.165 688 Y HN 0.486 nan 8.280 nan 0.000 0.452 689 I N 6.286 126.764 120.570 -0.154 0.000 2.447 689 I HA 0.307 4.476 4.170 -0.001 0.000 0.287 689 I C -0.407 175.428 176.117 -0.470 0.000 1.023 689 I CA -0.909 60.289 61.300 -0.172 0.000 1.083 689 I CB 2.250 40.303 38.000 0.088 0.000 1.245 689 I HN 0.642 nan 8.210 nan 0.000 0.434 690 T N 1.534 115.833 114.554 -0.425 0.000 2.856 690 T HA 0.574 4.923 4.350 -0.001 0.000 0.292 690 T C 0.119 174.738 174.700 -0.135 0.000 0.980 690 T CA -0.609 61.306 62.100 -0.309 0.000 1.091 690 T CB 1.326 70.156 68.868 -0.064 0.000 0.936 690 T HN 0.697 nan 8.240 nan 0.000 0.503 691 T N 0.720 115.184 114.554 -0.149 0.000 2.916 691 T HA 0.734 5.084 4.350 -0.001 0.000 0.292 691 T C -0.469 174.211 174.700 -0.032 0.000 1.064 691 T CA -1.116 60.934 62.100 -0.082 0.000 1.011 691 T CB 1.037 69.835 68.868 -0.118 0.000 1.152 691 T HN 0.574 nan 8.240 nan 0.000 0.510 692 L N 1.982 123.210 121.223 0.007 0.000 2.322 692 L HA 0.551 4.891 4.340 -0.001 0.000 0.269 692 L C 0.952 177.839 176.870 0.028 0.000 1.012 692 L CA -1.178 53.683 54.840 0.034 0.000 0.815 692 L CB 1.370 43.475 42.059 0.077 0.000 1.295 692 L HN 0.897 nan 8.230 nan 0.000 0.438 693 N N -0.380 118.343 118.700 0.039 0.000 2.203 693 N HA 0.001 4.740 4.740 -0.001 0.000 0.207 693 N C -0.134 175.391 175.510 0.025 0.000 1.130 693 N CA -0.179 52.886 53.050 0.027 0.000 0.861 693 N CB 0.433 38.930 38.487 0.017 0.000 1.005 693 N HN 0.686 nan 8.380 nan 0.000 0.507 694 E N 0.844 121.072 120.200 0.046 0.000 2.156 694 E HA 0.212 4.561 4.350 -0.001 0.000 0.279 694 E C -0.962 175.625 176.600 -0.021 0.000 0.965 694 E CA -0.648 55.803 56.400 0.085 0.000 0.789 694 E CB 0.634 30.460 29.700 0.210 0.000 1.098 694 E HN 0.079 nan 8.360 nan 0.000 0.397 695 N N 3.209 121.906 118.700 -0.006 0.000 2.518 695 N HA 0.270 5.009 4.740 -0.001 0.000 0.283 695 N C -1.063 174.470 175.510 0.039 0.000 1.119 695 N CA 0.102 53.095 53.050 -0.095 0.000 0.983 695 N CB 0.734 39.208 38.487 -0.023 0.000 1.139 695 N HN 0.425 nan 8.380 nan 0.000 0.465 696 Y N -2.713 117.635 120.300 0.081 0.000 2.750 696 Y HA 0.306 4.855 4.550 -0.001 0.000 0.335 696 Y C -0.286 175.685 175.900 0.117 0.000 1.252 696 Y CA -1.216 56.948 58.100 0.107 0.000 1.064 696 Y CB 0.525 39.057 38.460 0.121 0.000 1.321 696 Y HN 0.438 nan 8.280 nan 0.000 0.451 697 H N 3.183 122.451 119.070 0.329 0.000 2.964 697 H HA 0.205 4.760 4.556 -0.001 0.000 0.328 697 H C -0.920 174.549 175.328 0.234 0.000 1.030 697 H CA 0.503 56.669 56.048 0.197 0.000 1.445 697 H CB 0.724 30.561 29.762 0.125 0.000 1.449 697 H HN 0.556 nan 8.280 nan 0.000 0.581 698 M N 8.644 127.946 119.600 -0.497 0.000 2.036 698 M HA 0.239 4.718 4.480 -0.001 0.000 0.337 698 M C -2.382 173.601 176.300 -0.528 0.000 1.012 698 M CA -2.281 52.813 55.300 -0.342 0.000 0.962 698 M CB 1.174 33.681 32.600 -0.155 0.000 1.423 698 M HN 0.495 nan 8.290 nan 0.000 0.405 699 P HA 0.308 nan 4.420 nan 0.000 0.275 699 P C -0.585 176.717 177.300 0.003 0.000 1.266 699 P CA -0.408 62.593 63.100 -0.164 0.000 0.793 699 P CB 0.828 32.477 31.700 -0.084 0.000 1.074 700 A N 1.383 124.197 122.820 -0.010 0.000 2.351 700 A HA 0.375 4.694 4.320 -0.001 0.000 0.257 700 A C 0.635 178.012 177.584 -0.345 0.000 1.087 700 A CA -0.650 51.342 52.037 -0.075 0.000 0.798 700 A CB -0.278 18.677 19.000 -0.075 0.000 1.033 700 A HN 0.701 nan 8.150 nan 0.000 0.488 701 M N 2.420 121.612 119.600 -0.681 0.000 2.238 701 M HA 0.246 4.726 4.480 -0.001 0.000 0.350 701 M C -2.236 173.692 176.300 -0.620 0.000 1.321 701 M CA -1.233 53.234 55.300 -1.388 0.000 1.097 701 M CB 0.313 32.328 32.600 -0.975 0.000 1.713 701 M HN 0.324 nan 8.290 nan 0.000 0.455 702 P HA 0.044 nan 4.420 nan 0.000 0.271 702 P C -1.271 175.915 177.300 -0.191 0.000 1.216 702 P CA -0.145 62.830 63.100 -0.209 0.000 0.776 702 P CB 0.459 32.120 31.700 -0.065 0.000 0.881 703 E N 1.910 122.039 120.200 -0.118 0.000 2.529 703 E HA 0.109 4.458 4.350 -0.001 0.000 0.259 703 E C 1.016 177.571 176.600 -0.076 0.000 0.966 703 E CA 0.858 57.203 56.400 -0.091 0.000 0.937 703 E CB -0.453 29.213 29.700 -0.056 0.000 0.923 703 E HN 0.761 nan 8.360 nan 0.000 0.468 704 G N 2.915 111.670 108.800 -0.075 0.000 2.168 704 G HA2 -0.372 3.587 3.960 -0.001 0.000 0.263 704 G HA3 -0.372 3.587 3.960 -0.001 0.000 0.263 704 G C 0.779 175.641 174.900 -0.063 0.000 0.977 704 G CA 0.577 45.646 45.100 -0.051 0.000 0.659 704 G HN 0.771 nan 8.290 nan 0.000 0.533 705 A N -0.269 122.466 122.820 -0.142 0.000 2.167 705 A HA 0.393 4.712 4.320 -0.001 0.000 0.214 705 A C 1.883 179.342 177.584 -0.209 0.000 1.151 705 A CA 1.755 53.647 52.037 -0.240 0.000 0.735 705 A CB -0.209 18.471 19.000 -0.534 0.000 0.802 705 A HN 0.571 nan 8.150 nan 0.000 0.467 706 E N 0.266 120.390 120.200 -0.126 0.000 2.065 706 E HA -0.263 4.086 4.350 -0.001 0.000 0.201 706 E C 1.878 178.463 176.600 -0.024 0.000 1.016 706 E CA 1.688 58.048 56.400 -0.068 0.000 0.818 706 E CB -0.230 29.448 29.700 -0.037 0.000 0.749 706 E HN 0.609 nan 8.360 nan 0.000 0.453 707 E N 0.059 120.257 120.200 -0.004 0.000 2.110 707 E HA -0.096 4.253 4.350 -0.001 0.000 0.193 707 E C 2.069 178.682 176.600 0.022 0.000 0.988 707 E CA 1.452 57.856 56.400 0.007 0.000 0.804 707 E CB -0.680 29.032 29.700 0.019 0.000 0.745 707 E HN 0.293 nan 8.360 nan 0.000 0.458 708 G N 0.398 109.257 108.800 0.098 0.000 2.402 708 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.216 708 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.216 708 G C 1.714 176.751 174.900 0.227 0.000 1.162 708 G CA 0.774 46.023 45.100 0.248 0.000 0.777 708 G HN 0.307 nan 8.290 nan 0.000 0.539 709 I N 0.326 120.955 120.570 0.098 0.000 2.163 709 I HA -0.212 3.957 4.170 -0.001 0.000 0.243 709 I C 3.066 179.280 176.117 0.162 0.000 1.085 709 I CA 1.222 62.607 61.300 0.142 0.000 1.347 709 I CB -0.153 37.856 38.000 0.014 0.000 1.044 709 I HN 0.099 nan 8.210 nan 0.000 0.408 710 R N 0.648 121.206 120.500 0.096 0.000 2.092 710 R HA -0.112 4.228 4.340 -0.001 0.000 0.231 710 R C 2.211 178.620 176.300 0.181 0.000 1.119 710 R CA 1.071 57.254 56.100 0.138 0.000 0.970 710 R CB -0.210 30.138 30.300 0.080 0.000 0.864 710 R HN 0.318 nan 8.270 nan 0.000 0.440 711 K N -0.988 119.420 120.400 0.014 0.000 2.288 711 K HA 0.025 4.344 4.320 -0.001 0.000 0.201 711 K C 1.094 177.676 176.600 -0.030 0.000 1.048 711 K CA 1.020 57.221 56.287 -0.145 0.000 0.956 711 K CB 0.474 32.593 32.500 -0.634 0.000 0.746 711 K HN 0.457 nan 8.250 nan 0.000 0.461 712 G N 1.102 109.972 108.800 0.116 0.000 2.421 712 G HA2 -0.132 3.827 3.960 -0.001 0.000 0.188 712 G HA3 -0.132 3.827 3.960 -0.001 0.000 0.188 712 G C -0.086 174.853 174.900 0.065 0.000 1.001 712 G CA -0.309 44.835 45.100 0.074 0.000 0.693 712 G HN 0.247 nan 8.290 nan 0.000 0.479 713 I N 0.278 120.976 120.570 0.213 0.000 2.785 713 I HA 0.628 4.798 4.170 -0.001 0.000 0.293 713 I C -1.724 174.628 176.117 0.392 0.000 1.446 713 I CA -1.485 59.924 61.300 0.181 0.000 1.028 713 I CB 1.864 39.866 38.000 0.004 0.000 1.349 713 I HN 0.446 nan 8.210 nan 0.000 0.438 714 Y N 4.109 124.539 120.300 0.217 0.000 2.552 714 Y HA 0.487 5.036 4.550 -0.001 0.000 0.337 714 Y C -1.463 174.582 175.900 0.241 0.000 1.094 714 Y CA -1.325 56.913 58.100 0.229 0.000 1.028 714 Y CB 0.918 39.493 38.460 0.191 0.000 1.321 714 Y HN 0.494 nan 8.280 nan 0.000 0.456 715 K N 3.526 124.041 120.400 0.193 0.000 2.316 715 K HA 0.300 4.619 4.320 -0.001 0.000 0.289 715 K C -0.002 176.558 176.600 -0.067 0.000 1.070 715 K CA -0.224 55.955 56.287 -0.180 0.000 0.928 715 K CB 0.587 32.945 32.500 -0.236 0.000 1.039 715 K HN 1.037 nan 8.250 nan 0.000 0.480 716 L N 3.222 124.339 121.223 -0.177 0.000 2.068 716 L HA -0.075 4.264 4.340 -0.001 0.000 0.204 716 L C 0.687 177.558 176.870 0.003 0.000 1.076 716 L CA 1.285 56.129 54.840 0.007 0.000 0.753 716 L CB 0.055 42.116 42.059 0.003 0.000 0.910 716 L HN 0.787 nan 8.230 nan 0.000 0.439 717 E N -2.520 117.626 120.200 -0.089 0.000 2.437 717 E HA 0.328 4.677 4.350 -0.001 0.000 0.280 717 E C -1.310 175.225 176.600 -0.109 0.000 1.044 717 E CA -0.837 55.526 56.400 -0.062 0.000 0.826 717 E CB 1.654 31.344 29.700 -0.017 0.000 1.358 717 E HN -0.301 nan 8.360 nan 0.000 0.459 718 T N 1.264 115.779 114.554 -0.065 0.000 2.879 718 T HA 0.501 4.851 4.350 -0.001 0.000 0.290 718 T C -0.504 174.181 174.700 -0.024 0.000 0.993 718 T CA -0.514 61.551 62.100 -0.058 0.000 0.975 718 T CB 0.549 69.389 68.868 -0.046 0.000 0.981 718 T HN 0.332 nan 8.240 nan 0.000 0.439 719 I N 2.316 122.878 120.570 -0.013 0.000 2.404 719 I HA 0.373 4.542 4.170 -0.001 0.000 0.293 719 I C 0.601 176.725 176.117 0.012 0.000 0.992 719 I CA -0.856 60.447 61.300 0.004 0.000 1.149 719 I CB 1.783 39.791 38.000 0.014 0.000 1.315 719 I HN 0.526 nan 8.210 nan 0.000 0.446 720 E N 3.412 123.620 120.200 0.013 0.000 2.373 720 E HA 0.580 4.929 4.350 -0.001 0.000 0.263 720 E C -0.282 176.333 176.600 0.025 0.000 1.073 720 E CA -0.234 56.176 56.400 0.017 0.000 0.894 720 E CB 1.398 31.105 29.700 0.013 0.000 1.008 720 E HN 0.848 nan 8.360 nan 0.000 0.420 721 G N 0.136 108.953 108.800 0.028 0.000 2.655 721 G HA2 0.197 4.157 3.960 -0.001 0.000 0.296 721 G HA3 0.197 4.157 3.960 -0.001 0.000 0.296 721 G C -0.211 174.709 174.900 0.032 0.000 1.485 721 G CA -0.103 45.019 45.100 0.036 0.000 0.869 721 G HN 0.449 nan 8.290 nan 0.000 0.540 722 S N -0.126 115.593 115.700 0.033 0.000 2.540 722 S HA 0.186 4.656 4.470 -0.001 0.000 0.222 722 S C 1.309 175.928 174.600 0.033 0.000 1.008 722 S CA -0.079 58.138 58.200 0.028 0.000 0.939 722 S CB 0.341 63.554 63.200 0.022 0.000 0.865 722 S HN 0.337 nan 8.310 nan 0.000 0.499 723 K N 1.456 121.883 120.400 0.044 0.000 2.314 723 K HA 0.387 4.707 4.320 -0.001 0.000 0.198 723 K C 1.077 177.705 176.600 0.047 0.000 1.045 723 K CA 0.807 57.123 56.287 0.049 0.000 0.988 723 K CB 0.311 32.852 32.500 0.068 0.000 0.783 723 K HN 0.532 nan 8.250 nan 0.000 0.484 724 G N 0.329 109.157 108.800 0.047 0.000 2.430 724 G HA2 0.382 4.342 3.960 -0.001 0.000 0.300 724 G HA3 0.382 4.342 3.960 -0.001 0.000 0.300 724 G C -1.830 173.096 174.900 0.042 0.000 1.330 724 G CA -0.684 44.441 45.100 0.041 0.000 0.813 724 G HN -0.049 nan 8.290 nan 0.000 0.487 725 K N -0.725 119.699 120.400 0.040 0.000 2.550 725 K HA 0.664 4.983 4.320 -0.001 0.000 0.252 725 K C -0.768 175.861 176.600 0.049 0.000 0.943 725 K CA -0.706 55.607 56.287 0.044 0.000 0.806 725 K CB 2.361 34.886 32.500 0.041 0.000 1.289 725 K HN 1.139 nan 8.250 nan 0.000 0.435 726 V N -0.640 119.309 119.914 0.058 0.000 3.158 726 V HA 0.610 4.729 4.120 -0.001 0.000 0.311 726 V C -1.365 174.790 176.094 0.102 0.000 1.181 726 V CA -0.943 61.399 62.300 0.071 0.000 1.054 726 V CB 1.961 33.820 31.823 0.059 0.000 1.085 726 V HN 0.828 nan 8.190 nan 0.000 0.446 727 Q N 0.864 120.746 119.800 0.136 0.000 2.353 727 Q HA 0.763 5.102 4.340 -0.001 0.000 0.268 727 Q C -1.612 174.513 176.000 0.209 0.000 1.045 727 Q CA -0.584 55.353 55.803 0.224 0.000 0.811 727 Q CB 2.616 31.512 28.738 0.262 0.000 1.305 727 Q HN 0.701 nan 8.270 nan 0.000 0.447 728 L N 3.303 124.668 121.223 0.237 0.000 2.381 728 L HA 0.561 4.900 4.340 -0.001 0.000 0.274 728 L C -1.288 175.731 176.870 0.249 0.000 0.988 728 L CA -0.854 54.098 54.840 0.187 0.000 0.824 728 L CB 1.302 43.431 42.059 0.116 0.000 1.263 728 L HN 0.336 nan 8.230 nan 0.000 0.410 729 L N 2.374 123.731 121.223 0.223 0.000 2.365 729 L HA 0.946 5.285 4.340 -0.001 0.000 0.273 729 L C 0.267 177.256 176.870 0.197 0.000 1.000 729 L CA -0.124 54.851 54.840 0.225 0.000 0.819 729 L CB 2.048 44.274 42.059 0.279 0.000 1.284 729 L HN 0.631 nan 8.230 nan 0.000 0.418 730 G N 0.116 108.999 108.800 0.138 0.000 2.690 730 G HA2 0.735 4.694 3.960 -0.001 0.000 0.291 730 G HA3 0.735 4.694 3.960 -0.001 0.000 0.291 730 G C -1.554 173.398 174.900 0.087 0.000 1.403 730 G CA -0.198 44.984 45.100 0.137 0.000 0.864 730 G HN 0.688 nan 8.290 nan 0.000 0.480 731 S N -0.920 114.862 115.700 0.138 0.000 2.651 731 S HA 0.877 5.346 4.470 -0.001 0.000 0.279 731 S C 0.798 175.460 174.600 0.104 0.000 1.148 731 S CA 0.744 59.001 58.200 0.096 0.000 0.837 731 S CB 1.315 64.639 63.200 0.208 0.000 1.138 731 S HN 2.733 nan 8.310 nan 0.000 0.478 732 G N 2.010 110.852 108.800 0.070 0.000 2.594 732 G HA2 -0.330 3.629 3.960 -0.001 0.000 0.297 732 G HA3 -0.330 3.629 3.960 -0.001 0.000 0.297 732 G C 1.044 175.988 174.900 0.073 0.000 1.273 732 G CA 1.436 46.595 45.100 0.099 0.000 0.974 732 G HN 2.215 nan 8.290 nan 0.000 0.552 733 S N -0.519 115.255 115.700 0.123 0.000 2.515 733 S HA 0.112 4.581 4.470 -0.001 0.000 0.231 733 S C 2.123 176.762 174.600 0.065 0.000 0.987 733 S CA 1.450 59.721 58.200 0.118 0.000 0.936 733 S CB 0.075 63.382 63.200 0.179 0.000 0.766 733 S HN 0.564 nan 8.310 nan 0.000 0.528 734 I N 1.160 121.769 120.570 0.066 0.000 3.059 734 I HA 0.124 4.293 4.170 -0.001 0.000 0.270 734 I C 2.076 178.264 176.117 0.118 0.000 1.238 734 I CA 0.300 61.652 61.300 0.086 0.000 1.478 734 I CB -1.150 36.871 38.000 0.035 0.000 1.097 734 I HN 0.341 nan 8.210 nan 0.000 0.455 735 L N 1.548 122.789 121.223 0.029 0.000 2.079 735 L HA -0.176 4.164 4.340 -0.001 0.000 0.210 735 L C 2.631 179.494 176.870 -0.011 0.000 1.081 735 L CA 1.815 56.647 54.840 -0.013 0.000 0.752 735 L CB -0.600 41.377 42.059 -0.137 0.000 0.896 735 L HN 0.092 nan 8.230 nan 0.000 0.433 736 R N -1.395 119.055 120.500 -0.084 0.000 2.103 736 R HA -0.216 4.124 4.340 -0.001 0.000 0.242 736 R C 2.156 178.346 176.300 -0.183 0.000 1.142 736 R CA 1.939 57.934 56.100 -0.175 0.000 0.960 736 R CB -0.629 29.417 30.300 -0.423 0.000 0.858 736 R HN 0.560 nan 8.270 nan 0.000 0.439 737 H N -0.778 118.259 119.070 -0.055 0.000 2.428 737 H HA -0.066 4.489 4.556 -0.001 0.000 0.296 737 H C 2.098 177.424 175.328 -0.004 0.000 1.062 737 H CA 1.366 57.402 56.048 -0.021 0.000 1.350 737 H CB -0.210 29.547 29.762 -0.008 0.000 1.403 737 H HN 0.132 nan 8.280 nan 0.000 0.533 738 V N -0.409 119.574 119.914 0.115 0.000 2.515 738 V HA -0.153 3.966 4.120 -0.001 0.000 0.250 738 V C 2.062 178.187 176.094 0.052 0.000 1.058 738 V CA 1.440 63.788 62.300 0.079 0.000 1.064 738 V CB -0.269 31.604 31.823 0.083 0.000 0.675 738 V HN 0.230 nan 8.190 nan 0.000 0.461 739 R N 0.480 121.003 120.500 0.038 0.000 2.092 739 R HA -0.119 4.221 4.340 -0.001 0.000 0.231 739 R C 2.477 178.787 176.300 0.017 0.000 1.119 739 R CA 1.701 57.821 56.100 0.032 0.000 0.970 739 R CB -0.351 29.976 30.300 0.046 0.000 0.864 739 R HN 0.786 nan 8.270 nan 0.000 0.440 740 E N 0.899 121.095 120.200 -0.008 0.000 2.106 740 E HA -0.140 4.209 4.350 -0.001 0.000 0.192 740 E C 1.860 178.467 176.600 0.012 0.000 0.984 740 E CA 0.964 57.356 56.400 -0.013 0.000 0.806 740 E CB 0.023 29.693 29.700 -0.050 0.000 0.750 740 E HN 0.323 nan 8.360 nan 0.000 0.458 741 A N 1.211 124.042 122.820 0.019 0.000 1.972 741 A HA -0.056 4.263 4.320 -0.001 0.000 0.219 741 A C 2.373 179.986 177.584 0.047 0.000 1.169 741 A CA 1.585 53.635 52.037 0.021 0.000 0.635 741 A CB -0.636 18.374 19.000 0.018 0.000 0.810 741 A HN 0.416 nan 8.150 nan 0.000 0.446 742 A N -0.184 122.663 122.820 0.045 0.000 1.902 742 A HA -0.131 4.189 4.320 -0.001 0.000 0.217 742 A C 1.975 179.593 177.584 0.057 0.000 1.181 742 A CA 2.093 54.161 52.037 0.051 0.000 0.623 742 A CB -0.452 18.571 19.000 0.039 0.000 0.818 742 A HN 0.530 nan 8.150 nan 0.000 0.443 743 E N 0.411 120.639 120.200 0.048 0.000 2.051 743 E HA -0.147 4.202 4.350 -0.001 0.000 0.192 743 E C 1.700 178.345 176.600 0.074 0.000 0.991 743 E CA 1.543 57.971 56.400 0.048 0.000 0.799 743 E CB -0.436 29.283 29.700 0.032 0.000 0.748 743 E HN 0.618 nan 8.360 nan 0.000 0.449 744 I N 0.172 120.799 120.570 0.095 0.000 2.163 744 I HA -0.295 3.874 4.170 -0.001 0.000 0.243 744 I C 2.394 178.654 176.117 0.239 0.000 1.085 744 I CA 1.009 62.404 61.300 0.158 0.000 1.347 744 I CB -0.285 37.827 38.000 0.187 0.000 1.044 744 I HN 0.172 nan 8.210 nan 0.000 0.408 745 L N 0.306 121.661 121.223 0.221 0.000 2.079 745 L HA -0.256 4.084 4.340 -0.001 0.000 0.210 745 L C 2.724 179.728 176.870 0.223 0.000 1.081 745 L CA 1.522 56.518 54.840 0.260 0.000 0.752 745 L CB -0.582 41.556 42.059 0.132 0.000 0.896 745 L HN 0.288 nan 8.230 nan 0.000 0.433 746 A N -0.605 122.296 122.820 0.135 0.000 1.874 746 A HA -0.174 4.146 4.320 -0.001 0.000 0.214 746 A C 2.388 180.013 177.584 0.069 0.000 1.189 746 A CA 1.367 53.458 52.037 0.091 0.000 0.615 746 A CB -0.324 18.712 19.000 0.060 0.000 0.830 746 A HN 0.252 nan 8.150 nan 0.000 0.443 747 K N -0.503 119.932 120.400 0.058 0.000 2.025 747 K HA -0.175 4.145 4.320 -0.001 0.000 0.207 747 K C 0.961 177.543 176.600 -0.030 0.000 1.049 747 K CA 1.808 58.106 56.287 0.019 0.000 0.933 747 K CB -0.155 32.358 32.500 0.022 0.000 0.714 747 K HN 0.359 nan 8.250 nan 0.000 0.438 748 D N -1.089 119.275 120.400 -0.059 0.000 2.271 748 D HA -0.045 4.595 4.640 -0.001 0.000 0.206 748 D C 0.822 176.793 176.300 -0.548 0.000 0.967 748 D CA 0.954 54.760 54.000 -0.324 0.000 0.867 748 D CB 0.176 40.688 40.800 -0.479 0.000 0.960 748 D HN 0.314 nan 8.370 nan 0.000 0.509 749 Y N -0.714 119.609 120.300 0.038 0.000 2.500 749 Y HA 0.350 4.899 4.550 -0.001 0.000 0.246 749 Y C 1.616 177.532 175.900 0.026 0.000 1.146 749 Y CA -0.125 57.994 58.100 0.031 0.000 1.230 749 Y CB 0.861 39.346 38.460 0.042 0.000 1.214 749 Y HN -0.044 nan 8.280 nan 0.000 0.526 750 G N 1.040 109.910 108.800 0.118 0.000 2.203 750 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.263 750 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.263 750 G C -0.219 174.737 174.900 0.095 0.000 1.012 750 G CA 0.421 45.571 45.100 0.083 0.000 0.749 750 G HN 0.153 nan 8.290 nan 0.000 0.512 751 V N 0.733 120.723 119.914 0.126 0.000 2.383 751 V HA 0.684 4.803 4.120 -0.001 0.000 0.275 751 V C 1.237 177.376 176.094 0.075 0.000 1.036 751 V CA 0.078 62.435 62.300 0.096 0.000 0.889 751 V CB 1.249 33.130 31.823 0.097 0.000 0.985 751 V HN 0.607 nan 8.190 nan 0.000 0.459 752 G N 3.650 112.483 108.800 0.055 0.000 2.547 752 G HA2 0.708 4.667 3.960 -0.001 0.000 0.291 752 G HA3 0.708 4.667 3.960 -0.001 0.000 0.291 752 G C -0.278 174.647 174.900 0.043 0.000 1.211 752 G CA 0.162 45.288 45.100 0.044 0.000 0.950 752 G HN 1.053 nan 8.290 nan 0.000 0.504 753 S N -0.944 114.774 115.700 0.031 0.000 2.578 753 S HA 0.454 4.923 4.470 -0.001 0.000 0.272 753 S C -2.087 172.511 174.600 -0.004 0.000 1.145 753 S CA -1.012 57.208 58.200 0.033 0.000 0.835 753 S CB 2.222 65.449 63.200 0.044 0.000 1.104 753 S HN 0.430 nan 8.310 nan 0.000 0.458 754 D N 1.045 121.440 120.400 -0.008 0.000 2.217 754 D HA 0.571 5.210 4.640 -0.001 0.000 0.243 754 D C -0.755 175.421 176.300 -0.207 0.000 1.054 754 D CA -0.233 53.670 54.000 -0.161 0.000 0.838 754 D CB 2.002 42.701 40.800 -0.169 0.000 1.162 754 D HN 0.427 nan 8.370 nan 0.000 0.472 755 V N 3.236 122.961 119.914 -0.315 0.000 2.417 755 V HA 0.314 4.434 4.120 -0.001 0.000 0.291 755 V C -0.887 174.984 176.094 -0.372 0.000 1.024 755 V CA -0.673 61.515 62.300 -0.187 0.000 0.861 755 V CB 0.684 32.466 31.823 -0.069 0.000 0.985 755 V HN 0.371 nan 8.190 nan 0.000 0.436 756 Y N 1.921 122.181 120.300 -0.067 0.000 2.393 756 Y HA 0.548 5.097 4.550 -0.001 0.000 0.341 756 Y C 0.548 176.309 175.900 -0.231 0.000 0.988 756 Y CA -0.580 57.420 58.100 -0.166 0.000 1.078 756 Y CB 2.116 40.501 38.460 -0.124 0.000 1.203 756 Y HN 0.553 nan 8.280 nan 0.000 0.453 757 S N 1.993 117.499 115.700 -0.322 0.000 2.499 757 S HA 0.588 5.057 4.470 -0.001 0.000 0.279 757 S C -0.989 173.463 174.600 -0.246 0.000 1.219 757 S CA -0.542 57.480 58.200 -0.297 0.000 1.062 757 S CB 0.296 63.258 63.200 -0.395 0.000 0.978 757 S HN 0.447 nan 8.310 nan 0.000 0.489 758 V N 5.857 125.644 119.914 -0.212 0.000 2.293 758 V HA 0.241 4.360 4.120 -0.001 0.000 0.275 758 V C 1.332 177.291 176.094 -0.224 0.000 1.021 758 V CA -0.283 61.801 62.300 -0.360 0.000 0.815 758 V CB 0.576 31.839 31.823 -0.933 0.000 1.025 758 V HN 1.094 nan 8.190 nan 0.000 0.448 759 T N -0.439 114.100 114.554 -0.026 0.000 3.085 759 T HA 0.036 4.385 4.350 -0.001 0.000 0.263 759 T C 0.800 175.578 174.700 0.131 0.000 1.127 759 T CA 0.727 62.906 62.100 0.132 0.000 1.103 759 T CB 0.217 69.263 68.868 0.296 0.000 0.921 759 T HN 0.578 nan 8.240 nan 0.000 0.510 760 S N -0.453 115.183 115.700 -0.106 0.000 2.357 760 S HA 0.401 4.871 4.470 -0.001 0.000 0.209 760 S C -0.219 174.183 174.600 -0.330 0.000 0.981 760 S CA -0.796 57.263 58.200 -0.235 0.000 1.106 760 S CB -0.533 62.377 63.200 -0.484 0.000 1.266 760 S HN 0.135 nan 8.310 nan 0.000 0.410 761 F N 2.289 121.982 119.950 -0.428 0.000 2.216 761 F HA -0.040 4.486 4.527 -0.001 0.000 0.300 761 F C 2.629 178.216 175.800 -0.354 0.000 1.085 761 F CA 1.875 59.565 58.000 -0.517 0.000 1.326 761 F CB -0.399 37.958 39.000 -1.071 0.000 1.027 761 F HN 0.501 nan 8.300 nan 0.000 0.497 762 T N -1.001 113.489 114.554 -0.105 0.000 2.777 762 T HA -0.134 4.216 4.350 -0.001 0.000 0.266 762 T C 1.840 176.471 174.700 -0.114 0.000 1.040 762 T CA 1.227 63.299 62.100 -0.047 0.000 1.141 762 T CB -0.147 68.744 68.868 0.038 0.000 0.868 762 T HN 0.099 nan 8.240 nan 0.000 0.444 763 E N 1.107 121.188 120.200 -0.199 0.000 2.150 763 E HA 0.017 4.366 4.350 -0.001 0.000 0.193 763 E C 2.240 178.746 176.600 -0.156 0.000 0.985 763 E CA 0.582 56.855 56.400 -0.210 0.000 0.814 763 E CB -0.332 29.191 29.700 -0.294 0.000 0.752 763 E HN 0.483 nan 8.360 nan 0.000 0.466 764 L N 0.092 121.235 121.223 -0.133 0.000 2.072 764 L HA -0.095 4.244 4.340 -0.001 0.000 0.205 764 L C 2.508 179.304 176.870 -0.124 0.000 1.079 764 L CA 1.048 55.831 54.840 -0.095 0.000 0.752 764 L CB -0.511 41.505 42.059 -0.071 0.000 0.906 764 L HN 0.042 nan 8.230 nan 0.000 0.436 765 A N 0.243 123.020 122.820 -0.072 0.000 1.898 765 A HA -0.189 4.130 4.320 -0.001 0.000 0.216 765 A C 2.385 179.864 177.584 -0.175 0.000 1.181 765 A CA 1.363 53.369 52.037 -0.052 0.000 0.620 765 A CB -0.434 18.601 19.000 0.058 0.000 0.819 765 A HN 0.299 nan 8.150 nan 0.000 0.442 766 R N -0.617 119.802 120.500 -0.135 0.000 2.081 766 R HA -0.157 4.182 4.340 -0.001 0.000 0.235 766 R C 2.016 178.203 176.300 -0.189 0.000 1.131 766 R CA 1.649 57.667 56.100 -0.135 0.000 0.960 766 R CB -0.434 29.799 30.300 -0.113 0.000 0.856 766 R HN 0.743 nan 8.270 nan 0.000 0.436 767 D N -0.453 119.823 120.400 -0.207 0.000 2.117 767 D HA -0.112 4.528 4.640 -0.001 0.000 0.197 767 D C 1.967 178.074 176.300 -0.323 0.000 0.987 767 D CA 1.514 55.391 54.000 -0.206 0.000 0.829 767 D CB -0.204 40.505 40.800 -0.151 0.000 0.961 767 D HN 0.235 nan 8.370 nan 0.000 0.460 768 G N -0.373 108.066 108.800 -0.603 0.000 2.418 768 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.217 768 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.217 768 G C 1.613 175.971 174.900 -0.904 0.000 1.158 768 G CA 0.779 45.143 45.100 -1.227 0.000 0.771 768 G HN 0.346 nan 8.290 nan 0.000 0.545 769 Q N 0.129 119.575 119.800 -0.591 0.000 2.124 769 Q HA -0.100 4.239 4.340 -0.001 0.000 0.202 769 Q C 2.201 178.169 176.000 -0.054 0.000 0.977 769 Q CA 1.390 57.115 55.803 -0.130 0.000 0.850 769 Q CB -0.077 28.639 28.738 -0.038 0.000 0.901 769 Q HN 0.361 nan 8.270 nan 0.000 0.429 770 D N -0.041 120.305 120.400 -0.091 0.000 2.117 770 D HA -0.126 4.514 4.640 -0.001 0.000 0.198 770 D C 1.937 178.259 176.300 0.037 0.000 0.982 770 D CA 0.874 54.863 54.000 -0.018 0.000 0.828 770 D CB -0.396 40.372 40.800 -0.052 0.000 0.967 770 D HN 0.268 nan 8.370 nan 0.000 0.464 771 C N 1.070 120.354 119.300 -0.027 0.000 2.432 771 C HA -0.053 4.406 4.460 -0.001 0.000 0.277 771 C C 2.544 177.624 174.990 0.150 0.000 1.249 771 C CA 0.347 59.384 59.018 0.030 0.000 1.725 771 C CB -0.520 27.200 27.740 -0.033 0.000 2.028 771 C HN 0.329 nan 8.230 nan 0.000 0.477 772 E N 0.569 120.844 120.200 0.126 0.000 2.110 772 E HA -0.177 4.173 4.350 -0.001 0.000 0.193 772 E C 2.272 178.971 176.600 0.165 0.000 0.988 772 E CA 0.834 57.338 56.400 0.174 0.000 0.804 772 E CB -0.483 29.352 29.700 0.225 0.000 0.745 772 E HN 0.632 nan 8.360 nan 0.000 0.458 773 R N -0.449 120.141 120.500 0.149 0.000 2.073 773 R HA -0.179 4.161 4.340 -0.001 0.000 0.234 773 R C 2.206 178.623 176.300 0.195 0.000 1.134 773 R CA 1.719 57.900 56.100 0.136 0.000 0.952 773 R CB -0.528 29.839 30.300 0.112 0.000 0.850 773 R HN 0.202 nan 8.270 nan 0.000 0.433 774 W N 1.987 123.326 121.300 0.064 0.000 2.355 774 W HA -0.149 4.510 4.660 -0.001 0.000 0.309 774 W C 1.659 178.282 176.519 0.173 0.000 1.206 774 W CA 1.691 59.108 57.345 0.119 0.000 1.284 774 W CB -0.199 29.264 29.460 0.004 0.000 1.145 774 W HN 0.185 nan 8.180 nan 0.000 0.502 775 N N 0.208 119.174 118.700 0.443 0.000 2.104 775 N HA -0.269 4.471 4.740 -0.001 0.000 0.190 775 N C 1.765 177.323 175.510 0.081 0.000 1.024 775 N CA 2.123 55.342 53.050 0.281 0.000 0.853 775 N CB -1.170 37.468 38.487 0.251 0.000 1.008 775 N HN 0.360 nan 8.380 nan 0.000 0.424 776 M N 0.263 119.903 119.600 0.068 0.000 2.159 776 M HA -0.065 4.415 4.480 -0.001 0.000 0.263 776 M C 1.298 177.549 176.300 -0.082 0.000 1.063 776 M CA 1.389 56.690 55.300 0.002 0.000 1.110 776 M CB 0.038 32.648 32.600 0.017 0.000 1.374 776 M HN 0.033 nan 8.290 nan 0.000 0.411 777 L N -0.937 120.208 121.223 -0.129 0.000 2.554 777 L HA -0.034 4.306 4.340 -0.001 0.000 0.226 777 L C 0.104 176.571 176.870 -0.673 0.000 1.137 777 L CA 0.317 54.962 54.840 -0.324 0.000 0.863 777 L CB -0.343 41.535 42.059 -0.303 0.000 0.985 777 L HN 0.370 nan 8.230 nan 0.000 0.451 778 H N -1.091 117.698 119.070 -0.469 0.000 2.379 778 H HA 0.161 4.717 4.556 -0.001 0.000 0.229 778 H C -1.678 173.472 175.328 -0.297 0.000 1.423 778 H CA -1.432 54.296 56.048 -0.534 0.000 1.375 778 H CB 0.364 29.430 29.762 -1.161 0.000 1.592 778 H HN -0.088 nan 8.280 nan 0.000 0.507 779 P HA -0.142 nan 4.420 nan 0.000 0.222 779 P C 0.809 178.096 177.300 -0.020 0.000 1.147 779 P CA 0.738 63.807 63.100 -0.052 0.000 0.790 779 P CB 0.623 32.286 31.700 -0.062 0.000 0.780 780 L N -0.966 120.241 121.223 -0.027 0.000 2.567 780 L HA 0.171 4.510 4.340 -0.001 0.000 0.225 780 L C 1.284 178.178 176.870 0.040 0.000 1.119 780 L CA 0.816 55.658 54.840 0.003 0.000 0.871 780 L CB -1.014 41.041 42.059 -0.006 0.000 1.036 780 L HN -0.082 nan 8.230 nan 0.000 0.459 781 E N -0.593 119.644 120.200 0.061 0.000 2.250 781 E HA 0.268 4.617 4.350 -0.001 0.000 0.265 781 E C -0.118 176.587 176.600 0.176 0.000 1.033 781 E CA -0.320 56.167 56.400 0.146 0.000 0.888 781 E CB 0.738 30.583 29.700 0.241 0.000 1.151 781 E HN -0.111 nan 8.360 nan 0.000 0.412 782 T N 3.369 118.033 114.554 0.184 0.000 2.888 782 T HA 0.185 4.535 4.350 -0.001 0.000 0.301 782 T C -2.175 172.648 174.700 0.204 0.000 1.001 782 T CA -0.830 61.355 62.100 0.142 0.000 1.147 782 T CB 0.208 69.132 68.868 0.093 0.000 0.931 782 T HN 0.095 nan 8.240 nan 0.000 0.541 783 P HA 0.181 nan 4.420 nan 0.000 0.268 783 P C 0.044 177.409 177.300 0.109 0.000 1.204 783 P CA -0.194 63.017 63.100 0.184 0.000 0.768 783 P CB 0.509 32.283 31.700 0.123 0.000 0.842 784 R N 1.439 121.994 120.500 0.092 0.000 2.539 784 R HA 0.358 4.697 4.340 -0.001 0.000 0.275 784 R C -0.522 175.770 176.300 -0.013 0.000 1.077 784 R CA -0.607 55.453 56.100 -0.067 0.000 1.097 784 R CB 0.532 30.687 30.300 -0.242 0.000 1.018 784 R HN 0.249 nan 8.270 nan 0.000 0.483 785 V N 4.736 124.628 119.914 -0.038 0.000 2.398 785 V HA 0.247 4.367 4.120 -0.001 0.000 0.286 785 V C -2.067 174.013 176.094 -0.023 0.000 1.026 785 V CA -2.295 59.996 62.300 -0.015 0.000 0.868 785 V CB 1.539 33.348 31.823 -0.022 0.000 0.982 785 V HN 0.669 nan 8.190 nan 0.000 0.443 786 P HA 0.017 nan 4.420 nan 0.000 0.266 786 P C 0.278 177.576 177.300 -0.004 0.000 1.195 786 P CA 0.111 63.191 63.100 -0.033 0.000 0.768 786 P CB 0.411 32.092 31.700 -0.031 0.000 0.838 787 Y N 3.678 123.918 120.300 -0.100 0.000 2.114 787 Y HA -0.243 4.306 4.550 -0.001 0.000 0.282 787 Y C 2.043 177.902 175.900 -0.069 0.000 1.165 787 Y CA 1.593 59.648 58.100 -0.075 0.000 1.148 787 Y CB -0.671 37.745 38.460 -0.073 0.000 0.972 787 Y HN 0.329 nan 8.280 nan 0.000 0.504 788 I N -0.248 120.291 120.570 -0.050 0.000 2.335 788 I HA -0.316 3.853 4.170 -0.001 0.000 0.251 788 I C 2.187 178.181 176.117 -0.204 0.000 1.129 788 I CA 1.679 62.890 61.300 -0.149 0.000 1.402 788 I CB -0.326 37.621 38.000 -0.088 0.000 1.069 788 I HN 0.323 nan 8.210 nan 0.000 0.424 789 A N -0.440 122.298 122.820 -0.135 0.000 2.119 789 A HA -0.134 4.185 4.320 -0.001 0.000 0.216 789 A C 2.138 179.637 177.584 -0.142 0.000 1.152 789 A CA 0.867 52.833 52.037 -0.117 0.000 0.708 789 A CB -0.329 18.642 19.000 -0.049 0.000 0.805 789 A HN 0.593 nan 8.150 nan 0.000 0.460 790 Q N -0.703 118.972 119.800 -0.208 0.000 2.187 790 Q HA -0.034 4.305 4.340 -0.001 0.000 0.199 790 Q C 1.935 177.793 176.000 -0.238 0.000 0.957 790 Q CA 1.342 57.014 55.803 -0.218 0.000 0.857 790 Q CB -0.066 28.504 28.738 -0.280 0.000 0.929 790 Q HN 0.498 nan 8.270 nan 0.000 0.453 791 V N 0.505 120.218 119.914 -0.336 0.000 2.446 791 V HA -0.083 4.037 4.120 -0.001 0.000 0.244 791 V C 1.356 177.409 176.094 -0.068 0.000 1.039 791 V CA 1.044 63.216 62.300 -0.213 0.000 1.045 791 V CB -0.104 31.554 31.823 -0.275 0.000 0.681 791 V HN 0.283 nan 8.190 nan 0.000 0.459 792 M N 0.548 120.029 119.600 -0.198 0.000 2.245 792 M HA 0.311 4.791 4.480 -0.001 0.000 0.292 792 M C 0.298 176.567 176.300 -0.052 0.000 1.176 792 M CA -0.023 55.163 55.300 -0.189 0.000 1.035 792 M CB 0.818 33.205 32.600 -0.355 0.000 1.440 792 M HN 0.470 nan 8.290 nan 0.000 0.494 793 N N -0.949 117.750 118.700 -0.002 0.000 3.369 793 N HA 0.320 5.059 4.740 -0.001 0.000 0.362 793 N C -0.676 174.834 175.510 -0.001 0.000 1.523 793 N CA -0.682 52.375 53.050 0.012 0.000 0.684 793 N CB 0.270 38.787 38.487 0.050 0.000 1.796 793 N HN 0.593 nan 8.380 nan 0.000 0.641 794 D N -1.478 118.929 120.400 0.011 0.000 2.369 794 D HA 0.216 4.855 4.640 -0.001 0.000 0.211 794 D C -0.035 176.280 176.300 0.024 0.000 1.077 794 D CA -0.400 53.605 54.000 0.008 0.000 0.842 794 D CB -0.455 40.348 40.800 0.005 0.000 0.947 794 D HN 0.652 nan 8.370 nan 0.000 0.509 795 A N 2.131 124.976 122.820 0.040 0.000 2.462 795 A HA 0.382 4.701 4.320 -0.001 0.000 0.243 795 A C -2.118 175.501 177.584 0.059 0.000 1.076 795 A CA -1.044 51.023 52.037 0.050 0.000 0.773 795 A CB -0.189 18.849 19.000 0.062 0.000 1.010 795 A HN 0.056 nan 8.150 nan 0.000 0.493 796 P HA 0.131 nan 4.420 nan 0.000 0.260 796 P C -0.382 176.970 177.300 0.086 0.000 1.172 796 P CA 0.780 63.917 63.100 0.061 0.000 0.760 796 P CB 0.349 32.074 31.700 0.042 0.000 0.773 797 A N 3.675 126.568 122.820 0.122 0.000 2.355 797 A HA 0.687 5.006 4.320 -0.001 0.000 0.324 797 A C -0.738 176.922 177.584 0.127 0.000 1.117 797 A CA -0.641 51.499 52.037 0.173 0.000 0.785 797 A CB 1.448 20.611 19.000 0.271 0.000 1.254 797 A HN 0.338 nan 8.150 nan 0.000 0.453 798 V N 0.509 120.479 119.914 0.094 0.000 2.709 798 V HA 0.793 4.913 4.120 -0.001 0.000 0.308 798 V C 0.069 176.177 176.094 0.024 0.000 1.062 798 V CA -0.172 62.119 62.300 -0.013 0.000 0.901 798 V CB 1.744 33.568 31.823 0.002 0.000 1.003 798 V HN 1.437 nan 8.190 nan 0.000 0.425 799 A N 2.633 125.401 122.820 -0.087 0.000 2.435 799 A HA 0.945 5.264 4.320 -0.001 0.000 0.304 799 A C -0.631 176.941 177.584 -0.019 0.000 1.064 799 A CA -0.585 51.470 52.037 0.030 0.000 0.727 799 A CB 2.160 21.204 19.000 0.073 0.000 1.284 799 A HN 0.825 nan 8.150 nan 0.000 0.415 800 S N -0.090 115.647 115.700 0.063 0.000 2.540 800 S HA 0.862 5.332 4.470 -0.001 0.000 0.275 800 S C -0.412 174.254 174.600 0.109 0.000 1.123 800 S CA 0.315 58.539 58.200 0.041 0.000 0.907 800 S CB 1.498 64.720 63.200 0.036 0.000 1.081 800 S HN 1.927 nan 8.310 nan 0.000 0.476 801 T N 0.342 114.958 114.554 0.102 0.000 2.754 801 T HA 0.483 4.832 4.350 -0.001 0.000 0.296 801 T C -0.552 174.200 174.700 0.088 0.000 1.205 801 T CA -0.479 61.740 62.100 0.198 0.000 1.009 801 T CB 1.320 70.444 68.868 0.427 0.000 1.368 801 T HN 0.315 nan 8.240 nan 0.000 0.509 802 D N -0.687 119.761 120.400 0.081 0.000 2.325 802 D HA 0.279 4.919 4.640 -0.001 0.000 0.225 802 D C -0.761 175.193 176.300 -0.577 0.000 1.096 802 D CA 0.082 53.946 54.000 -0.228 0.000 0.844 802 D CB -0.223 40.429 40.800 -0.247 0.000 0.925 802 D HN 0.420 nan 8.370 nan 0.000 0.513 803 Y N -0.148 120.091 120.300 -0.101 0.000 2.621 803 Y HA 0.363 4.912 4.550 -0.001 0.000 0.334 803 Y C 0.896 176.752 175.900 -0.074 0.000 1.074 803 Y CA -1.458 56.564 58.100 -0.130 0.000 1.149 803 Y CB 0.652 38.947 38.460 -0.276 0.000 1.302 803 Y HN -0.204 nan 8.280 nan 0.000 0.501 804 M N 0.077 119.727 119.600 0.082 0.000 2.252 804 M HA 0.186 4.665 4.480 -0.001 0.000 0.321 804 M C 0.559 176.894 176.300 0.058 0.000 1.070 804 M CA -0.020 55.298 55.300 0.031 0.000 1.143 804 M CB 0.447 33.059 32.600 0.021 0.000 1.498 804 M HN 0.664 nan 8.290 nan 0.000 0.445 805 K N 0.678 121.073 120.400 -0.008 0.000 2.127 805 K HA -0.207 4.112 4.320 -0.001 0.000 0.208 805 K C 1.746 178.315 176.600 -0.051 0.000 1.047 805 K CA 1.549 57.806 56.287 -0.050 0.000 0.927 805 K CB -0.557 31.897 32.500 -0.076 0.000 0.716 805 K HN 0.612 nan 8.250 nan 0.000 0.450 806 L N 0.788 122.008 121.223 -0.006 0.000 2.127 806 L HA -0.164 4.175 4.340 -0.001 0.000 0.211 806 L C 1.964 178.847 176.870 0.022 0.000 1.089 806 L CA 1.421 56.262 54.840 0.002 0.000 0.757 806 L CB -0.561 41.513 42.059 0.026 0.000 0.899 806 L HN 0.100 nan 8.230 nan 0.000 0.434 807 F N 0.252 120.133 119.950 -0.115 0.000 2.120 807 F HA -0.226 4.300 4.527 -0.001 0.000 0.300 807 F C 2.162 177.708 175.800 -0.423 0.000 1.095 807 F CA 1.609 59.513 58.000 -0.161 0.000 1.249 807 F CB -0.586 38.356 39.000 -0.096 0.000 0.995 807 F HN 0.155 nan 8.300 nan 0.000 0.480 808 A N -0.862 121.568 122.820 -0.650 0.000 2.044 808 A HA 0.049 4.368 4.320 -0.001 0.000 0.213 808 A C 2.054 179.362 177.584 -0.460 0.000 1.169 808 A CA 0.628 51.896 52.037 -1.283 0.000 0.724 808 A CB -0.569 17.775 19.000 -1.093 0.000 0.840 808 A HN 0.426 nan 8.150 nan 0.000 0.463 809 E N 0.409 120.479 120.200 -0.215 0.000 2.268 809 E HA -0.235 4.114 4.350 -0.001 0.000 0.195 809 E C 2.085 178.688 176.600 0.006 0.000 0.995 809 E CA 1.138 57.523 56.400 -0.025 0.000 0.836 809 E CB -0.147 29.522 29.700 -0.051 0.000 0.763 809 E HN 0.907 nan 8.360 nan 0.000 0.491 810 Q N 0.359 120.134 119.800 -0.041 0.000 2.297 810 Q HA -0.130 4.209 4.340 -0.001 0.000 0.208 810 Q C 1.869 177.918 176.000 0.082 0.000 0.981 810 Q CA 1.658 57.471 55.803 0.017 0.000 0.876 810 Q CB -0.354 28.395 28.738 0.019 0.000 0.921 810 Q HN 0.307 nan 8.270 nan 0.000 0.446 811 V N -2.751 117.212 119.914 0.081 0.000 3.647 811 V HA 0.204 4.323 4.120 -0.001 0.000 0.279 811 V C 2.006 178.041 176.094 -0.099 0.000 1.314 811 V CA 0.364 62.756 62.300 0.152 0.000 1.125 811 V CB -0.155 31.765 31.823 0.163 0.000 0.907 811 V HN 0.103 nan 8.190 nan 0.000 0.434 812 R N 2.318 122.751 120.500 -0.111 0.000 2.133 812 R HA -0.190 4.150 4.340 -0.001 0.000 0.245 812 R C 2.065 178.169 176.300 -0.327 0.000 1.137 812 R CA 2.898 58.901 56.100 -0.161 0.000 0.947 812 R CB -1.698 28.603 30.300 0.001 0.000 0.865 812 R HN 0.536 nan 8.270 nan 0.000 0.437 813 T N -0.110 114.132 114.554 -0.520 0.000 2.778 813 T HA -0.170 4.179 4.350 -0.001 0.000 0.269 813 T C 1.071 175.341 174.700 -0.717 0.000 1.050 813 T CA 1.829 63.510 62.100 -0.697 0.000 1.137 813 T CB -0.348 67.909 68.868 -1.018 0.000 0.860 813 T HN 0.354 nan 8.240 nan 0.000 0.468 814 Y N 0.189 120.427 120.300 -0.104 0.000 2.510 814 Y HA 0.350 4.900 4.550 -0.001 0.000 0.273 814 Y C 1.050 176.849 175.900 -0.169 0.000 1.119 814 Y CA -1.067 56.966 58.100 -0.112 0.000 1.286 814 Y CB -0.461 37.944 38.460 -0.092 0.000 1.061 814 Y HN -0.072 nan 8.280 nan 0.000 0.542 815 V N 5.713 125.497 119.914 -0.218 0.000 2.446 815 V HA 0.023 4.142 4.120 -0.001 0.000 0.276 815 V C -1.335 174.648 176.094 -0.185 0.000 1.030 815 V CA -1.097 61.024 62.300 -0.299 0.000 1.033 815 V CB 0.861 32.305 31.823 -0.632 0.000 0.993 815 V HN 0.145 nan 8.190 nan 0.000 0.477 816 P HA 0.175 nan 4.420 nan 0.000 0.259 816 P C -0.045 177.219 177.300 -0.059 0.000 1.480 816 P CA 0.251 63.303 63.100 -0.079 0.000 0.842 816 P CB 0.364 32.026 31.700 -0.063 0.000 1.513 817 A N -0.040 122.742 122.820 -0.063 0.000 2.337 817 A HA 0.429 4.748 4.320 -0.001 0.000 0.331 817 A C 0.945 178.529 177.584 0.000 0.000 1.137 817 A CA -0.545 51.482 52.037 -0.016 0.000 0.807 817 A CB 0.907 19.914 19.000 0.012 0.000 1.250 817 A HN -0.172 nan 8.150 nan 0.000 0.468 818 D N 0.324 120.731 120.400 0.012 0.000 2.178 818 D HA -0.030 4.610 4.640 -0.001 0.000 0.202 818 D C -0.467 175.852 176.300 0.031 0.000 0.974 818 D CA 1.458 55.466 54.000 0.013 0.000 0.841 818 D CB 0.192 40.998 40.800 0.011 0.000 0.953 818 D HN 0.551 nan 8.370 nan 0.000 0.478 819 D N -0.559 119.872 120.400 0.051 0.000 2.375 819 D HA 0.189 4.828 4.640 -0.001 0.000 0.247 819 D C -0.873 175.514 176.300 0.145 0.000 1.061 819 D CA -0.500 53.541 54.000 0.068 0.000 0.834 819 D CB 1.651 42.476 40.800 0.041 0.000 1.247 819 D HN -0.061 nan 8.370 nan 0.000 0.489 820 Y N 1.723 122.007 120.300 -0.027 0.000 2.317 820 Y HA 0.301 4.850 4.550 -0.001 0.000 0.329 820 Y C -0.967 174.913 175.900 -0.033 0.000 1.101 820 Y CA -0.652 57.430 58.100 -0.029 0.000 1.228 820 Y CB 0.780 39.214 38.460 -0.043 0.000 1.123 820 Y HN 0.186 nan 8.280 nan 0.000 0.457 821 R N 3.971 124.290 120.500 -0.301 0.000 2.368 821 R HA 0.756 5.095 4.340 -0.001 0.000 0.302 821 R C -1.333 174.693 176.300 -0.456 0.000 1.002 821 R CA -0.946 54.978 56.100 -0.292 0.000 0.929 821 R CB 1.846 32.062 30.300 -0.140 0.000 1.073 821 R HN 0.386 nan 8.270 nan 0.000 0.464 822 V N 5.399 125.083 119.914 -0.383 0.000 2.487 822 V HA 0.377 4.496 4.120 -0.001 0.000 0.298 822 V C -0.222 175.753 176.094 -0.198 0.000 1.028 822 V CA -0.756 61.330 62.300 -0.358 0.000 0.860 822 V CB 1.728 33.312 31.823 -0.397 0.000 0.991 822 V HN 0.575 nan 8.190 nan 0.000 0.427 823 L N 4.049 125.182 121.223 -0.149 0.000 2.334 823 L HA 0.991 5.331 4.340 -0.001 0.000 0.275 823 L C 0.639 177.454 176.870 -0.092 0.000 1.036 823 L CA -0.184 54.592 54.840 -0.107 0.000 0.807 823 L CB 1.850 43.864 42.059 -0.074 0.000 1.231 823 L HN 0.811 nan 8.230 nan 0.000 0.438 824 G N -0.625 108.124 108.800 -0.086 0.000 2.559 824 G HA2 0.386 4.345 3.960 -0.001 0.000 0.291 824 G HA3 0.386 4.345 3.960 -0.001 0.000 0.291 824 G C -0.409 174.446 174.900 -0.075 0.000 1.424 824 G CA -0.174 44.888 45.100 -0.063 0.000 0.786 824 G HN 0.490 nan 8.290 nan 0.000 0.485 825 T N -0.995 113.479 114.554 -0.133 0.000 3.268 825 T HA 0.335 4.684 4.350 -0.001 0.000 0.244 825 T C -0.271 174.338 174.700 -0.152 0.000 0.915 825 T CA -0.346 61.596 62.100 -0.263 0.000 0.935 825 T CB -0.494 67.981 68.868 -0.654 0.000 1.110 825 T HN 0.291 nan 8.240 nan 0.000 0.573 826 D N 1.653 122.050 120.400 -0.006 0.000 2.449 826 D HA 0.478 5.117 4.640 -0.001 0.000 0.236 826 D C 1.010 177.393 176.300 0.139 0.000 1.149 826 D CA 1.368 55.370 54.000 0.003 0.000 0.878 826 D CB 0.197 40.984 40.800 -0.022 0.000 1.198 826 D HN 0.758 nan 8.370 nan 0.000 0.446 827 G N -0.027 108.801 108.800 0.047 0.000 2.539 827 G HA2 -0.020 3.939 3.960 -0.001 0.000 0.686 827 G HA3 -0.020 3.939 3.960 -0.001 0.000 0.686 827 G C -0.963 174.042 174.900 0.174 0.000 1.258 827 G CA -1.197 43.987 45.100 0.141 0.000 0.846 827 G HN 0.242 nan 8.290 nan 0.000 0.647 828 F N 1.242 121.326 119.950 0.223 0.000 2.471 828 F HA 0.519 5.045 4.527 -0.001 0.000 0.353 828 F C 1.669 177.673 175.800 0.339 0.000 1.113 828 F CA 1.197 59.316 58.000 0.198 0.000 1.262 828 F CB 1.022 40.092 39.000 0.115 0.000 1.146 828 F HN 0.745 nan 8.300 nan 0.000 0.578 829 G N 2.111 111.204 108.800 0.488 0.000 2.651 829 G HA2 0.566 4.526 3.960 -0.001 0.000 0.260 829 G HA3 0.566 4.526 3.960 -0.001 0.000 0.260 829 G C -0.731 174.347 174.900 0.297 0.000 1.216 829 G CA -0.704 44.656 45.100 0.434 0.000 0.913 829 G HN 0.781 nan 8.290 nan 0.000 0.535 830 R N -1.871 118.760 120.500 0.219 0.000 2.728 830 R HA 0.429 4.768 4.340 -0.001 0.000 0.274 830 R C -1.337 175.008 176.300 0.075 0.000 1.032 830 R CA -0.831 55.323 56.100 0.090 0.000 0.866 830 R CB 0.544 30.834 30.300 -0.017 0.000 1.263 830 R HN 0.387 nan 8.270 nan 0.000 0.475 831 S N 0.694 116.414 115.700 0.033 0.000 2.523 831 S HA 0.428 4.897 4.470 -0.001 0.000 0.275 831 S C -0.643 173.967 174.600 0.017 0.000 1.281 831 S CA -0.188 58.028 58.200 0.026 0.000 1.050 831 S CB 0.523 63.730 63.200 0.011 0.000 0.937 831 S HN 0.549 nan 8.310 nan 0.000 0.492 832 D N -0.090 120.330 120.400 0.033 0.000 2.827 832 D HA 0.126 4.765 4.640 -0.001 0.000 0.336 832 D C -0.812 175.517 176.300 0.048 0.000 1.374 832 D CA -0.360 53.660 54.000 0.033 0.000 0.794 832 D CB 1.030 41.846 40.800 0.028 0.000 1.364 832 D HN 0.531 nan 8.370 nan 0.000 0.464 833 S N -0.177 115.553 115.700 0.050 0.000 2.593 833 S HA 0.292 4.761 4.470 -0.001 0.000 0.269 833 S C 1.361 176.006 174.600 0.076 0.000 1.334 833 S CA -0.309 57.926 58.200 0.057 0.000 1.015 833 S CB 1.375 64.607 63.200 0.054 0.000 0.912 833 S HN 0.480 nan 8.310 nan 0.000 0.541 834 R N 0.810 121.356 120.500 0.078 0.000 2.091 834 R HA -0.147 4.193 4.340 -0.001 0.000 0.238 834 R C 2.400 178.756 176.300 0.094 0.000 1.136 834 R CA 1.745 57.896 56.100 0.085 0.000 0.959 834 R CB -0.509 29.845 30.300 0.091 0.000 0.856 834 R HN 0.932 nan 8.270 nan 0.000 0.437 835 E N 0.921 121.180 120.200 0.098 0.000 2.058 835 E HA -0.212 4.137 4.350 -0.001 0.000 0.194 835 E C 1.564 178.237 176.600 0.123 0.000 0.997 835 E CA 1.325 57.788 56.400 0.104 0.000 0.801 835 E CB 0.040 29.790 29.700 0.082 0.000 0.746 835 E HN 0.231 nan 8.360 nan 0.000 0.450 836 N N 0.447 119.213 118.700 0.110 0.000 2.166 836 N HA -0.119 4.620 4.740 -0.001 0.000 0.186 836 N C 1.946 177.565 175.510 0.183 0.000 1.019 836 N CA 0.855 53.985 53.050 0.134 0.000 0.856 836 N CB -0.171 38.367 38.487 0.086 0.000 0.993 836 N HN 0.270 nan 8.380 nan 0.000 0.426 837 L N 0.331 121.661 121.223 0.179 0.000 2.109 837 L HA -0.007 4.333 4.340 -0.001 0.000 0.207 837 L C 2.169 179.229 176.870 0.317 0.000 1.086 837 L CA 0.773 55.781 54.840 0.281 0.000 0.760 837 L CB -0.193 42.040 42.059 0.290 0.000 0.910 837 L HN 0.066 nan 8.230 nan 0.000 0.437 838 R N -1.332 119.281 120.500 0.187 0.000 2.189 838 R HA -0.149 4.191 4.340 -0.001 0.000 0.218 838 R C 2.084 178.471 176.300 0.146 0.000 1.074 838 R CA 0.747 56.911 56.100 0.106 0.000 0.991 838 R CB -0.177 30.105 30.300 -0.030 0.000 0.883 838 R HN 0.325 nan 8.270 nan 0.000 0.457 839 H N -0.894 118.238 119.070 0.103 0.000 2.399 839 H HA -0.042 4.513 4.556 -0.001 0.000 0.300 839 H C 1.930 177.275 175.328 0.028 0.000 1.048 839 H CA 1.564 57.701 56.048 0.148 0.000 1.370 839 H CB 0.050 29.919 29.762 0.179 0.000 1.428 839 H HN 0.207 nan 8.280 nan 0.000 0.534 840 H N -0.618 118.448 119.070 -0.006 0.000 2.319 840 H HA -0.136 4.419 4.556 -0.001 0.000 0.299 840 H C 1.101 176.200 175.328 -0.381 0.000 1.092 840 H CA 2.092 58.011 56.048 -0.215 0.000 1.302 840 H CB -0.531 29.061 29.762 -0.282 0.000 1.373 840 H HN 0.317 nan 8.280 nan 0.000 0.497 841 F N 1.109 120.863 119.950 -0.327 0.000 2.804 841 F HA 0.105 4.631 4.527 -0.001 0.000 0.303 841 F C 0.374 175.881 175.800 -0.489 0.000 1.154 841 F CA 0.747 58.516 58.000 -0.386 0.000 1.401 841 F CB -0.250 38.649 39.000 -0.169 0.000 1.106 841 F HN 0.229 nan 8.300 nan 0.000 0.568 842 E N -0.643 119.186 120.200 -0.618 0.000 2.252 842 E HA -0.194 4.156 4.350 -0.001 0.000 0.218 842 E C 0.617 176.856 176.600 -0.602 0.000 1.253 842 E CA 0.483 56.111 56.400 -1.285 0.000 0.705 842 E CB -1.777 27.158 29.700 -1.276 0.000 1.172 842 E HN 0.423 nan 8.360 nan 0.000 0.369 843 V N -3.182 116.575 119.914 -0.262 0.000 3.451 843 V HA 0.070 4.189 4.120 -0.001 0.000 0.288 843 V C 0.737 176.826 176.094 -0.009 0.000 1.502 843 V CA 0.331 62.574 62.300 -0.094 0.000 1.026 843 V CB 0.091 31.862 31.823 -0.088 0.000 0.840 843 V HN 0.297 nan 8.190 nan 0.000 0.437 844 D N 1.651 122.089 120.400 0.064 0.000 2.393 844 D HA 0.425 5.064 4.640 -0.001 0.000 0.246 844 D C 1.630 178.017 176.300 0.145 0.000 1.275 844 D CA 0.456 54.522 54.000 0.110 0.000 0.979 844 D CB 1.086 42.002 40.800 0.193 0.000 1.101 844 D HN 0.183 nan 8.370 nan 0.000 0.505 845 A N 0.177 123.079 122.820 0.137 0.000 1.917 845 A HA -0.209 4.110 4.320 -0.001 0.000 0.219 845 A C 2.173 179.669 177.584 -0.146 0.000 1.182 845 A CA 2.886 54.937 52.037 0.024 0.000 0.633 845 A CB -1.429 17.575 19.000 0.006 0.000 0.819 845 A HN 0.687 nan 8.150 nan 0.000 0.448 846 S N -1.369 114.176 115.700 -0.259 0.000 2.382 846 S HA -0.221 4.248 4.470 -0.001 0.000 0.228 846 S C 1.850 176.205 174.600 -0.408 0.000 1.027 846 S CA 1.550 59.335 58.200 -0.692 0.000 0.991 846 S CB -0.857 61.969 63.200 -0.623 0.000 0.823 846 S HN 0.593 nan 8.310 nan 0.000 0.469 847 Y N 1.587 121.809 120.300 -0.130 0.000 2.314 847 Y HA 0.054 4.604 4.550 -0.001 0.000 0.293 847 Y C 2.717 178.576 175.900 -0.068 0.000 1.129 847 Y CA 0.740 58.793 58.100 -0.078 0.000 1.201 847 Y CB -0.434 37.978 38.460 -0.081 0.000 0.999 847 Y HN 0.124 nan 8.280 nan 0.000 0.541 848 V N -1.224 118.730 119.914 0.067 0.000 2.358 848 V HA -0.259 3.860 4.120 -0.001 0.000 0.246 848 V C 2.168 178.259 176.094 -0.004 0.000 1.047 848 V CA 1.550 63.869 62.300 0.031 0.000 1.035 848 V CB -0.802 31.042 31.823 0.035 0.000 0.658 848 V HN 0.206 nan 8.190 nan 0.000 0.452 849 V N -0.333 119.552 119.914 -0.049 0.000 2.295 849 V HA -0.223 3.897 4.120 -0.001 0.000 0.246 849 V C 2.437 178.511 176.094 -0.033 0.000 1.049 849 V CA 1.938 64.215 62.300 -0.039 0.000 1.024 849 V CB -0.405 31.404 31.823 -0.024 0.000 0.648 849 V HN 0.405 nan 8.190 nan 0.000 0.447 850 V N 0.184 120.093 119.914 -0.009 0.000 2.490 850 V HA -0.248 3.872 4.120 -0.001 0.000 0.250 850 V C 2.638 178.724 176.094 -0.014 0.000 1.061 850 V CA 1.906 64.206 62.300 0.000 0.000 1.064 850 V CB -0.973 30.850 31.823 -0.000 0.000 0.670 850 V HN 0.568 nan 8.190 nan 0.000 0.461 851 A N -0.159 122.661 122.820 0.000 0.000 1.898 851 A HA -0.065 4.255 4.320 -0.001 0.000 0.216 851 A C 2.414 179.987 177.584 -0.018 0.000 1.181 851 A CA 1.949 53.984 52.037 -0.003 0.000 0.620 851 A CB -0.671 18.329 19.000 0.000 0.000 0.819 851 A HN 0.547 nan 8.150 nan 0.000 0.442 852 A N -0.143 122.665 122.820 -0.021 0.000 1.873 852 A HA 0.005 4.324 4.320 -0.001 0.000 0.215 852 A C 2.144 179.701 177.584 -0.044 0.000 1.186 852 A CA 1.384 53.408 52.037 -0.021 0.000 0.616 852 A CB -0.669 18.324 19.000 -0.012 0.000 0.823 852 A HN 0.450 nan 8.150 nan 0.000 0.442 853 L N -0.478 120.691 121.223 -0.089 0.000 2.079 853 L HA -0.174 4.166 4.340 -0.001 0.000 0.210 853 L C 2.791 179.622 176.870 -0.065 0.000 1.081 853 L CA 1.089 55.856 54.840 -0.121 0.000 0.752 853 L CB -0.889 41.036 42.059 -0.223 0.000 0.896 853 L HN 0.518 nan 8.230 nan 0.000 0.433 854 G N -0.185 108.587 108.800 -0.046 0.000 2.440 854 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.218 854 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.218 854 G C 1.417 176.306 174.900 -0.018 0.000 1.154 854 G CA 0.669 45.753 45.100 -0.027 0.000 0.767 854 G HN 0.454 nan 8.290 nan 0.000 0.552 855 E N 0.158 120.349 120.200 -0.015 0.000 2.072 855 E HA -0.004 4.345 4.350 -0.001 0.000 0.191 855 E C 2.575 179.174 176.600 -0.002 0.000 0.985 855 E CA 0.493 56.891 56.400 -0.004 0.000 0.801 855 E CB -0.198 29.504 29.700 0.004 0.000 0.750 855 E HN 0.388 nan 8.360 nan 0.000 0.452 856 L N 0.677 121.897 121.223 -0.006 0.000 2.083 856 L HA -0.133 4.207 4.340 -0.001 0.000 0.209 856 L C 2.623 179.492 176.870 -0.001 0.000 1.083 856 L CA 0.948 55.788 54.840 -0.000 0.000 0.752 856 L CB -0.603 41.454 42.059 -0.003 0.000 0.899 856 L HN 0.143 nan 8.230 nan 0.000 0.433 857 A N 0.188 123.003 122.820 -0.008 0.000 1.930 857 A HA -0.224 4.095 4.320 -0.001 0.000 0.217 857 A C 2.433 180.016 177.584 -0.002 0.000 1.175 857 A CA 1.703 53.737 52.037 -0.005 0.000 0.627 857 A CB -0.381 18.612 19.000 -0.011 0.000 0.815 857 A HN 0.310 nan 8.150 nan 0.000 0.443 858 K N -0.333 120.066 120.400 -0.003 0.000 2.097 858 K HA -0.095 4.224 4.320 -0.001 0.000 0.205 858 K C 2.016 178.618 176.600 0.002 0.000 1.050 858 K CA 1.222 57.508 56.287 -0.001 0.000 0.938 858 K CB -0.110 32.389 32.500 -0.001 0.000 0.718 858 K HN 0.434 nan 8.250 nan 0.000 0.442 859 R N -1.152 119.351 120.500 0.004 0.000 2.276 859 R HA 0.030 4.370 4.340 -0.001 0.000 0.203 859 R C 1.264 177.568 176.300 0.008 0.000 1.017 859 R CA 0.654 56.758 56.100 0.007 0.000 1.010 859 R CB 0.256 30.561 30.300 0.010 0.000 0.900 859 R HN 0.510 nan 8.270 nan 0.000 0.469 860 G N 0.668 109.472 108.800 0.007 0.000 2.217 860 G HA2 -0.345 3.614 3.960 -0.001 0.000 0.246 860 G HA3 -0.345 3.614 3.960 -0.001 0.000 0.246 860 G C 0.734 175.640 174.900 0.011 0.000 0.990 860 G CA 0.427 45.531 45.100 0.008 0.000 0.627 860 G HN 0.386 nan 8.290 nan 0.000 0.522 861 E N 0.223 120.431 120.200 0.013 0.000 2.070 861 E HA 0.023 4.373 4.350 -0.001 0.000 0.197 861 E C 1.669 178.282 176.600 0.022 0.000 1.004 861 E CA 1.592 58.003 56.400 0.018 0.000 0.805 861 E CB -0.079 29.633 29.700 0.020 0.000 0.744 861 E HN 0.895 nan 8.360 nan 0.000 0.451 862 I N -2.304 118.277 120.570 0.018 0.000 3.023 862 I HA 0.420 4.589 4.170 -0.001 0.000 0.312 862 I C -0.405 175.723 176.117 0.017 0.000 1.056 862 I CA -1.287 60.028 61.300 0.024 0.000 1.033 862 I CB 1.697 39.713 38.000 0.027 0.000 1.233 862 I HN -0.302 nan 8.210 nan 0.000 0.462 863 D N 1.642 122.055 120.400 0.022 0.000 2.304 863 D HA 0.173 4.813 4.640 -0.001 0.000 0.250 863 D C 0.759 177.064 176.300 0.009 0.000 1.107 863 D CA -0.231 53.778 54.000 0.015 0.000 0.885 863 D CB 1.378 42.189 40.800 0.018 0.000 1.192 863 D HN 0.506 nan 8.370 nan 0.000 0.436 864 K N 2.122 122.524 120.400 0.003 0.000 2.211 864 K HA -0.190 4.130 4.320 -0.001 0.000 0.204 864 K C 1.621 178.220 176.600 -0.002 0.000 1.047 864 K CA 0.834 57.120 56.287 -0.002 0.000 0.935 864 K CB 0.092 32.591 32.500 -0.002 0.000 0.728 864 K HN 0.358 nan 8.250 nan 0.000 0.452 865 K N 1.207 121.609 120.400 0.003 0.000 2.209 865 K HA -0.118 4.202 4.320 -0.001 0.000 0.204 865 K C 1.914 178.519 176.600 0.008 0.000 1.048 865 K CA 1.160 57.449 56.287 0.003 0.000 0.940 865 K CB 0.101 32.604 32.500 0.005 0.000 0.729 865 K HN 0.128 nan 8.250 nan 0.000 0.451 866 V N -2.204 117.722 119.914 0.019 0.000 2.667 866 V HA -0.092 4.027 4.120 -0.001 0.000 0.252 866 V C 1.866 177.964 176.094 0.006 0.000 1.065 866 V CA 1.103 63.430 62.300 0.044 0.000 1.083 866 V CB -0.079 31.802 31.823 0.096 0.000 0.692 866 V HN 0.021 nan 8.190 nan 0.000 0.468 867 V N 1.317 121.218 119.914 -0.021 0.000 2.307 867 V HA -0.124 3.995 4.120 -0.001 0.000 0.245 867 V C 3.177 179.255 176.094 -0.027 0.000 1.045 867 V CA 2.228 64.504 62.300 -0.040 0.000 1.024 867 V CB -1.292 30.512 31.823 -0.032 0.000 0.651 867 V HN 0.649 nan 8.190 nan 0.000 0.449 868 A N 0.069 122.879 122.820 -0.017 0.000 1.908 868 A HA -0.268 4.051 4.320 -0.001 0.000 0.218 868 A C 1.944 179.512 177.584 -0.028 0.000 1.181 868 A CA 2.157 54.184 52.037 -0.017 0.000 0.627 868 A CB -0.646 18.348 19.000 -0.011 0.000 0.818 868 A HN 0.558 nan 8.150 nan 0.000 0.445 869 D N -0.108 120.275 120.400 -0.028 0.000 2.219 869 D HA 0.042 4.681 4.640 -0.001 0.000 0.205 869 D C 2.113 178.348 176.300 -0.108 0.000 0.970 869 D CA 1.230 55.201 54.000 -0.049 0.000 0.851 869 D CB -0.335 40.449 40.800 -0.027 0.000 0.943 869 D HN 0.451 nan 8.370 nan 0.000 0.488 870 A N 0.751 123.509 122.820 -0.102 0.000 1.898 870 A HA -0.087 4.233 4.320 -0.001 0.000 0.216 870 A C 2.318 179.783 177.584 -0.199 0.000 1.181 870 A CA 0.586 52.481 52.037 -0.236 0.000 0.620 870 A CB -0.591 18.365 19.000 -0.073 0.000 0.819 870 A HN 0.155 nan 8.150 nan 0.000 0.442 871 I N -0.209 120.331 120.570 -0.049 0.000 2.163 871 I HA -0.324 3.845 4.170 -0.001 0.000 0.243 871 I C 2.933 179.041 176.117 -0.015 0.000 1.085 871 I CA 1.294 62.592 61.300 -0.004 0.000 1.347 871 I CB -0.301 37.693 38.000 -0.010 0.000 1.044 871 I HN 0.380 nan 8.210 nan 0.000 0.408 872 A N 0.306 123.096 122.820 -0.050 0.000 1.929 872 A HA -0.200 4.119 4.320 -0.001 0.000 0.216 872 A C 2.384 179.928 177.584 -0.067 0.000 1.176 872 A CA 1.344 53.359 52.037 -0.037 0.000 0.628 872 A CB -0.442 18.535 19.000 -0.037 0.000 0.816 872 A HN 0.311 nan 8.150 nan 0.000 0.444 873 K N -1.303 118.991 120.400 -0.176 0.000 2.103 873 K HA -0.144 4.176 4.320 -0.001 0.000 0.207 873 K C 0.639 177.117 176.600 -0.204 0.000 1.048 873 K CA 1.475 57.602 56.287 -0.266 0.000 0.930 873 K CB -0.230 31.985 32.500 -0.475 0.000 0.716 873 K HN 0.408 nan 8.250 nan 0.000 0.444 874 F N 1.462 121.416 119.950 0.007 0.000 2.732 874 F HA 0.182 4.709 4.527 -0.001 0.000 0.303 874 F C 0.056 175.868 175.800 0.020 0.000 1.110 874 F CA -0.395 57.608 58.000 0.004 0.000 1.355 874 F CB -0.238 38.749 39.000 -0.021 0.000 1.081 874 F HN 0.055 nan 8.300 nan 0.000 0.565 875 N N 1.087 119.883 118.700 0.159 0.000 2.738 875 N HA -0.233 4.506 4.740 -0.001 0.000 0.249 875 N C -0.445 175.210 175.510 0.242 0.000 1.047 875 N CA 0.509 53.643 53.050 0.140 0.000 0.707 875 N CB -1.718 36.823 38.487 0.091 0.000 0.937 875 N HN 0.317 nan 8.380 nan 0.000 0.545 876 I N 0.437 121.103 120.570 0.161 0.000 2.331 876 I HA 0.084 4.254 4.170 -0.001 0.000 0.292 876 I C 0.529 176.692 176.117 0.077 0.000 0.998 876 I CA -0.564 60.785 61.300 0.081 0.000 1.267 876 I CB 1.194 39.096 38.000 -0.163 0.000 1.386 876 I HN -0.080 nan 8.210 nan 0.000 0.476 877 D N 6.080 126.544 120.400 0.106 0.000 2.393 877 D HA 0.238 4.877 4.640 -0.001 0.000 0.232 877 D C 0.862 177.201 176.300 0.064 0.000 1.192 877 D CA -0.126 53.922 54.000 0.079 0.000 0.882 877 D CB 1.567 42.417 40.800 0.085 0.000 1.038 877 D HN 0.634 nan 8.370 nan 0.000 0.499 878 A N 3.811 126.658 122.820 0.046 0.000 2.121 878 A HA -0.102 4.217 4.320 -0.001 0.000 0.218 878 A C 1.185 178.786 177.584 0.029 0.000 1.154 878 A CA 0.928 52.988 52.037 0.039 0.000 0.679 878 A CB 0.170 19.185 19.000 0.025 0.000 0.795 878 A HN 0.539 nan 8.150 nan 0.000 0.458 879 D N -0.244 120.171 120.400 0.025 0.000 2.440 879 D HA 0.078 4.717 4.640 -0.001 0.000 0.216 879 D C 0.041 176.349 176.300 0.013 0.000 1.150 879 D CA -0.076 53.934 54.000 0.016 0.000 0.832 879 D CB 0.234 41.043 40.800 0.014 0.000 0.992 879 D HN 0.696 nan 8.370 nan 0.000 0.502 880 K N 0.328 120.737 120.400 0.015 0.000 2.219 880 K HA 0.268 4.587 4.320 -0.001 0.000 0.258 880 K C 0.472 177.066 176.600 -0.011 0.000 1.008 880 K CA -0.580 55.712 56.287 0.009 0.000 0.928 880 K CB 1.496 34.004 32.500 0.013 0.000 0.983 880 K HN -0.237 nan 8.250 nan 0.000 0.484 881 V N 1.857 121.767 119.914 -0.008 0.000 2.999 881 V HA -0.072 4.048 4.120 -0.001 0.000 0.307 881 V C 0.244 176.308 176.094 -0.050 0.000 1.084 881 V CA -0.280 62.010 62.300 -0.016 0.000 1.155 881 V CB 0.717 32.541 31.823 0.002 0.000 0.975 881 V HN 0.950 nan 8.190 nan 0.000 0.490 882 N N 6.052 124.723 118.700 -0.048 0.000 2.411 882 N HA 0.068 4.807 4.740 -0.001 0.000 0.261 882 N C -1.761 173.696 175.510 -0.089 0.000 1.248 882 N CA -0.857 52.148 53.050 -0.075 0.000 0.885 882 N CB 1.438 39.897 38.487 -0.048 0.000 1.062 882 N HN 0.427 nan 8.380 nan 0.000 0.471 883 P HA -0.165 nan 4.420 nan 0.000 0.217 883 P C 1.227 178.519 177.300 -0.014 0.000 1.148 883 P CA 1.176 64.151 63.100 -0.208 0.000 0.828 883 P CB 0.132 31.590 31.700 -0.405 0.000 0.783 884 R N -0.305 120.189 120.500 -0.010 0.000 2.120 884 R HA -0.101 4.239 4.340 -0.001 0.000 0.234 884 R C 1.388 177.705 176.300 0.028 0.000 1.123 884 R CA 1.155 57.258 56.100 0.004 0.000 0.975 884 R CB -0.425 29.857 30.300 -0.029 0.000 0.866 884 R HN 0.135 nan 8.270 nan 0.000 0.446 885 L N -0.030 121.210 121.223 0.028 0.000 2.477 885 L HA 0.267 4.606 4.340 -0.001 0.000 0.220 885 L C 1.349 178.266 176.870 0.077 0.000 1.106 885 L CA 0.510 55.381 54.840 0.051 0.000 0.851 885 L CB -1.263 40.811 42.059 0.025 0.000 0.994 885 L HN 0.104 nan 8.230 nan 0.000 0.462 886 A N 0.000 122.867 122.820 0.078 0.000 2.254 886 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 886 A CA 0.000 52.091 52.037 0.090 0.000 0.836 886 A CB 0.000 19.079 19.000 0.132 0.000 0.831 886 A HN 0.000 nan 8.150 nan 0.000 0.486