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 3ccn_1_A DATA FIRST_RESID 1055 DATA SEQUENCE LSALNPELVQ AVQHVVIGPS SLIVHFNEVI GRGHFGCVYH GTLXXXXXXK DATA SEQUENCE IHCAVKSLNR XXXXXEVSQF LTEGIIMKDF SHPNVLSLLG ICLXXXXXPL DATA SEQUENCE VVLPYMKHGD LRNFIRNETH NPTVKDLIGF GLQVAKGMKY LASKKFVHRD DATA SEQUENCE LAARNCMLDE KFTVKVADFG LARDMYDKEY YSVHXKTGAK LPVKWMALES DATA SEQUENCE LQTQKFTTKS DVWSFGVLLW ELMTRGAPPY PDVNTFDITV YLLQGRRLLQ DATA SEQUENCE PEYCPDPLYE VMLKCWHPKA EMRPSFSELV SRISAIFSTF IG 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 1055 L HA 0.000 nan 4.340 nan 0.000 0.249 1055 L C 0.000 176.872 176.870 0.002 0.000 1.165 1055 L CA 0.000 54.840 54.840 -0.001 0.000 0.813 1055 L CB 0.000 42.058 42.059 -0.002 0.000 0.961 1056 S N 2.136 117.837 115.700 0.001 0.000 2.447 1056 S HA -0.028 4.442 4.470 -0.001 0.000 0.233 1056 S C 1.667 176.269 174.600 0.003 0.000 1.006 1056 S CA 1.250 59.451 58.200 0.002 0.000 0.957 1056 S CB -0.056 63.144 63.200 -0.001 0.000 0.773 1056 S HN 0.823 nan 8.310 nan 0.000 0.507 1057 A N 1.262 124.083 122.820 0.002 0.000 2.014 1057 A HA 0.203 4.522 4.320 -0.001 0.000 0.218 1057 A C 2.382 179.968 177.584 0.004 0.000 1.163 1057 A CA 1.424 53.462 52.037 0.003 0.000 0.652 1057 A CB -1.011 17.990 19.000 0.001 0.000 0.808 1057 A HN 0.537 nan 8.150 nan 0.000 0.449 1058 L N -0.729 120.498 121.223 0.005 0.000 2.217 1058 L HA 0.070 4.409 4.340 -0.001 0.000 0.211 1058 L C 1.184 178.059 176.870 0.009 0.000 1.107 1058 L CA 1.462 56.307 54.840 0.007 0.000 0.783 1058 L CB -1.549 40.515 42.059 0.008 0.000 0.919 1058 L HN 0.463 nan 8.230 nan 0.000 0.442 1059 N N -0.382 118.324 118.700 0.009 0.000 2.444 1059 N HA 0.299 5.038 4.740 -0.001 0.000 0.255 1059 N C -1.568 173.947 175.510 0.009 0.000 1.255 1059 N CA -1.419 51.637 53.050 0.010 0.000 0.933 1059 N CB 0.977 39.470 38.487 0.010 0.000 1.143 1059 N HN 0.229 nan 8.380 nan 0.000 0.453 1060 P HA 0.092 nan 4.420 nan 0.000 0.215 1060 P C 0.202 177.507 177.300 0.009 0.000 1.173 1060 P CA 0.947 64.052 63.100 0.009 0.000 0.663 1060 P CB 0.006 31.711 31.700 0.008 0.000 0.720 1061 E N -0.598 119.608 120.200 0.010 0.000 2.736 1061 E HA 0.291 4.640 4.350 -0.001 0.000 0.208 1061 E C 0.855 177.463 176.600 0.014 0.000 0.996 1061 E CA -0.070 56.337 56.400 0.012 0.000 1.104 1061 E CB -1.329 28.378 29.700 0.012 0.000 1.111 1061 E HN 0.184 nan 8.360 nan 0.000 0.455 1062 L N -0.170 121.061 121.223 0.013 0.000 2.700 1062 L HA 0.161 4.500 4.340 -0.001 0.000 0.234 1062 L C 1.901 178.782 176.870 0.019 0.000 1.156 1062 L CA -0.035 54.814 54.840 0.015 0.000 0.946 1062 L CB 0.644 42.707 42.059 0.007 0.000 1.216 1062 L HN 0.270 nan 8.230 nan 0.000 0.493 1063 V N 0.396 120.319 119.914 0.016 0.000 2.332 1063 V HA -0.370 3.749 4.120 -0.001 0.000 0.248 1063 V C 3.052 179.154 176.094 0.012 0.000 1.055 1063 V CA 2.548 64.854 62.300 0.011 0.000 1.038 1063 V CB -0.952 30.875 31.823 0.007 0.000 0.651 1063 V HN 0.715 nan 8.190 nan 0.000 0.450 1064 Q N -0.720 119.095 119.800 0.025 0.000 2.364 1064 Q HA 0.028 4.367 4.340 -0.001 0.000 0.209 1064 Q C 2.034 178.083 176.000 0.081 0.000 0.977 1064 Q CA 1.730 57.555 55.803 0.037 0.000 0.885 1064 Q CB -0.836 27.934 28.738 0.053 0.000 0.941 1064 Q HN 0.781 nan 8.270 nan 0.000 0.464 1065 A N -0.508 122.366 122.820 0.091 0.000 2.195 1065 A HA 0.320 4.639 4.320 -0.001 0.000 0.210 1065 A C 2.305 179.944 177.584 0.091 0.000 1.165 1065 A CA 0.912 53.043 52.037 0.156 0.000 0.806 1065 A CB 0.152 19.206 19.000 0.090 0.000 0.847 1065 A HN 0.429 nan 8.150 nan 0.000 0.482 1066 V N 1.386 121.315 119.914 0.024 0.000 2.427 1066 V HA -0.332 3.787 4.120 -0.001 0.000 0.248 1066 V C 2.775 178.848 176.094 -0.036 0.000 1.051 1066 V CA 2.174 64.475 62.300 0.002 0.000 1.048 1066 V CB -0.989 30.832 31.823 -0.003 0.000 0.666 1066 V HN 0.901 nan 8.190 nan 0.000 0.456 1067 Q N -0.574 119.156 119.800 -0.117 0.000 2.226 1067 Q HA -0.237 4.103 4.340 -0.001 0.000 0.204 1067 Q C 1.908 177.759 176.000 -0.249 0.000 0.975 1067 Q CA 1.929 57.603 55.803 -0.216 0.000 0.866 1067 Q CB -0.460 28.085 28.738 -0.323 0.000 0.915 1067 Q HN 0.697 nan 8.270 nan 0.000 0.440 1068 H N 0.477 119.546 119.070 -0.001 0.000 2.497 1068 H HA 0.043 4.598 4.556 -0.001 0.000 0.282 1068 H C 2.314 177.639 175.328 -0.005 0.000 1.003 1068 H CA 1.425 57.471 56.048 -0.003 0.000 1.307 1068 H CB 0.548 30.308 29.762 -0.004 0.000 1.437 1068 H HN 0.373 nan 8.280 nan 0.000 0.544 1069 V N -0.959 119.010 119.914 0.092 0.000 3.052 1069 V HA 0.114 4.233 4.120 -0.001 0.000 0.254 1069 V C 1.091 177.204 176.094 0.033 0.000 1.100 1069 V CA 0.075 62.404 62.300 0.047 0.000 1.112 1069 V CB -0.398 31.438 31.823 0.022 0.000 0.738 1069 V HN -0.105 nan 8.190 nan 0.000 0.469 1070 V N 2.379 122.307 119.914 0.024 0.000 2.461 1070 V HA 0.395 4.514 4.120 -0.001 0.000 0.275 1070 V C 0.085 176.188 176.094 0.015 0.000 1.047 1070 V CA -0.257 62.056 62.300 0.021 0.000 0.955 1070 V CB 1.196 33.025 31.823 0.009 0.000 0.988 1070 V HN 0.327 nan 8.190 nan 0.000 0.471 1071 I N 4.165 124.748 120.570 0.021 0.000 2.331 1071 I HA 0.395 4.564 4.170 -0.001 0.000 0.292 1071 I C 1.143 177.265 176.117 0.009 0.000 0.998 1071 I CA -0.129 61.181 61.300 0.015 0.000 1.267 1071 I CB 1.349 39.361 38.000 0.020 0.000 1.386 1071 I HN 0.720 nan 8.210 nan 0.000 0.476 1072 G N 7.247 116.048 108.800 0.001 0.000 2.398 1072 G HA2 0.156 4.115 3.960 -0.001 0.000 0.246 1072 G HA3 0.156 4.115 3.960 -0.001 0.000 0.246 1072 G C -1.387 173.511 174.900 -0.003 0.000 1.289 1072 G CA -0.849 44.249 45.100 -0.003 0.000 0.869 1072 G HN 0.483 nan 8.290 nan 0.000 0.543 1073 P HA -0.140 nan 4.420 nan 0.000 0.223 1073 P C 1.779 179.071 177.300 -0.013 0.000 1.144 1073 P CA 1.441 64.538 63.100 -0.005 0.000 0.783 1073 P CB 0.206 31.904 31.700 -0.004 0.000 0.771 1074 S N -1.243 114.449 115.700 -0.013 0.000 2.461 1074 S HA -0.009 4.460 4.470 -0.001 0.000 0.228 1074 S C 1.945 176.534 174.600 -0.019 0.000 1.005 1074 S CA 0.815 59.005 58.200 -0.017 0.000 0.942 1074 S CB -1.041 62.150 63.200 -0.014 0.000 0.776 1074 S HN 0.070 nan 8.310 nan 0.000 0.514 1075 S N 0.848 116.539 115.700 -0.015 0.000 2.470 1075 S HA 0.312 4.781 4.470 -0.001 0.000 0.225 1075 S C 0.182 174.770 174.600 -0.020 0.000 1.006 1075 S CA -0.106 58.086 58.200 -0.014 0.000 0.934 1075 S CB -0.219 62.978 63.200 -0.006 0.000 0.778 1075 S HN 0.497 nan 8.310 nan 0.000 0.517 1076 L N 2.054 123.261 121.223 -0.027 0.000 2.305 1076 L HA 0.553 4.892 4.340 -0.001 0.000 0.284 1076 L C -1.247 175.575 176.870 -0.080 0.000 1.013 1076 L CA -0.463 54.352 54.840 -0.041 0.000 0.819 1076 L CB 0.859 42.903 42.059 -0.025 0.000 1.227 1076 L HN 0.031 nan 8.230 nan 0.000 0.417 1077 I N 5.804 126.301 120.570 -0.122 0.000 2.354 1077 I HA 0.456 4.625 4.170 -0.001 0.000 0.292 1077 I C -0.531 175.359 176.117 -0.378 0.000 0.989 1077 I CA -0.784 60.375 61.300 -0.235 0.000 1.188 1077 I CB 1.737 39.593 38.000 -0.240 0.000 1.342 1077 I HN 0.366 nan 8.210 nan 0.000 0.457 1078 V N 6.470 126.095 119.914 -0.482 0.000 2.495 1078 V HA 0.435 4.554 4.120 -0.001 0.000 0.298 1078 V C -0.887 174.695 176.094 -0.853 0.000 1.031 1078 V CA -0.434 61.488 62.300 -0.632 0.000 0.871 1078 V CB 1.443 32.872 31.823 -0.656 0.000 0.988 1078 V HN 0.730 nan 8.190 nan 0.000 0.432 1079 H N 6.862 125.682 119.070 -0.417 0.000 2.746 1079 H HA 0.357 4.912 4.556 -0.001 0.000 0.269 1079 H C 0.031 175.190 175.328 -0.283 0.000 1.248 1079 H CA -0.359 55.535 56.048 -0.257 0.000 1.258 1079 H CB 0.260 29.967 29.762 -0.092 0.000 1.441 1079 H HN 0.691 nan 8.280 nan 0.000 0.508 1080 F N 1.058 120.918 119.950 -0.150 0.000 2.771 1080 F HA -0.071 4.456 4.527 -0.001 0.000 0.299 1080 F C 1.367 177.140 175.800 -0.045 0.000 1.177 1080 F CA 0.104 57.869 58.000 -0.392 0.000 1.450 1080 F CB 0.086 38.803 39.000 -0.472 0.000 1.114 1080 F HN 0.603 nan 8.300 nan 0.000 0.587 1081 N N 0.806 119.622 118.700 0.194 0.000 2.230 1081 N HA -0.021 4.718 4.740 -0.001 0.000 0.202 1081 N C -0.461 175.170 175.510 0.202 0.000 1.119 1081 N CA 0.154 53.313 53.050 0.182 0.000 0.851 1081 N CB -0.087 38.474 38.487 0.123 0.000 0.990 1081 N HN 0.460 nan 8.380 nan 0.000 0.497 1082 E N 0.395 120.764 120.200 0.282 0.000 2.343 1082 E HA 0.326 4.675 4.350 -0.001 0.000 0.260 1082 E C -1.269 175.543 176.600 0.354 0.000 0.908 1082 E CA -0.777 55.800 56.400 0.295 0.000 0.814 1082 E CB 1.681 31.546 29.700 0.275 0.000 1.302 1082 E HN -0.219 nan 8.360 nan 0.000 0.408 1083 V N 4.609 124.668 119.914 0.241 0.000 2.432 1083 V HA 0.209 4.328 4.120 -0.001 0.000 0.275 1083 V C 0.828 176.941 176.094 0.032 0.000 1.043 1083 V CA -0.415 61.944 62.300 0.099 0.000 0.925 1083 V CB 0.684 32.545 31.823 0.065 0.000 0.985 1083 V HN 0.773 nan 8.190 nan 0.000 0.466 1084 I N 1.661 122.189 120.570 -0.070 0.000 3.762 1084 I HA 0.805 4.975 4.170 -0.001 0.000 0.333 1084 I C 0.485 176.549 176.117 -0.088 0.000 1.566 1084 I CA -0.258 60.992 61.300 -0.084 0.000 1.129 1084 I CB 0.589 38.474 38.000 -0.191 0.000 1.218 1084 I HN 0.660 nan 8.210 nan 0.000 0.456 1085 G N 0.828 109.587 108.800 -0.068 0.000 2.351 1085 G HA2 0.547 4.506 3.960 -0.001 0.000 0.296 1085 G HA3 0.547 4.506 3.960 -0.001 0.000 0.296 1085 G C -1.363 173.551 174.900 0.023 0.000 1.685 1085 G CA -0.588 44.502 45.100 -0.017 0.000 0.936 1085 G HN 0.434 nan 8.290 nan 0.000 0.714 1086 R N 0.069 120.632 120.500 0.104 0.000 2.422 1086 R HA 0.910 5.249 4.340 -0.001 0.000 0.307 1086 R C 0.431 176.797 176.300 0.110 0.000 1.004 1086 R CA 0.222 56.368 56.100 0.077 0.000 0.882 1086 R CB 1.394 31.721 30.300 0.044 0.000 1.164 1086 R HN 2.097 nan 8.270 nan 0.000 0.489 1087 G N -1.003 107.816 108.800 0.033 0.000 2.521 1087 G HA2 0.309 4.268 3.960 -0.001 0.000 0.323 1087 G HA3 0.309 4.268 3.960 -0.001 0.000 0.323 1087 G C 0.328 175.120 174.900 -0.181 0.000 1.211 1087 G CA -0.228 44.743 45.100 -0.215 0.000 0.979 1087 G HN 0.807 nan 8.290 nan 0.000 0.490 1088 H N -0.342 118.467 119.070 -0.434 0.000 2.462 1088 H HA 0.024 4.579 4.556 -0.001 0.000 0.292 1088 H C 1.404 176.510 175.328 -0.369 0.000 1.049 1088 H CA 1.196 56.977 56.048 -0.446 0.000 1.334 1088 H CB 0.173 29.545 29.762 -0.651 0.000 1.404 1088 H HN 0.484 nan 8.280 nan 0.000 0.544 1089 F N 0.095 119.969 119.950 -0.128 0.000 2.743 1089 F HA 0.229 4.755 4.527 -0.002 0.000 0.297 1089 F C 1.356 177.108 175.800 -0.079 0.000 1.131 1089 F CA 0.239 58.172 58.000 -0.112 0.000 1.426 1089 F CB 1.000 39.968 39.000 -0.054 0.000 1.116 1089 F HN 0.226 nan 8.300 nan 0.000 0.583 1090 G N -0.974 107.865 108.800 0.064 0.000 2.336 1090 G HA2 0.172 4.131 3.960 -0.001 0.000 0.300 1090 G HA3 0.172 4.131 3.960 -0.001 0.000 0.300 1090 G C -1.762 173.156 174.900 0.031 0.000 1.375 1090 G CA -1.322 43.815 45.100 0.062 0.000 0.885 1090 G HN -0.084 nan 8.290 nan 0.000 0.599 1091 C N -0.699 118.598 119.300 -0.004 0.000 2.443 1091 C HA 0.778 5.237 4.460 -0.001 0.000 0.369 1091 C C 0.907 175.712 174.990 -0.308 0.000 1.241 1091 C CA -0.123 58.784 59.018 -0.185 0.000 2.413 1091 C CB 0.875 28.415 27.740 -0.334 0.000 2.451 1091 C HN 1.124 nan 8.230 nan 0.000 0.595 1092 V N 2.652 122.334 119.914 -0.386 0.000 2.555 1092 V HA 0.710 4.829 4.120 -0.001 0.000 0.302 1092 V C -1.557 174.251 176.094 -0.476 0.000 1.038 1092 V CA -0.286 61.831 62.300 -0.305 0.000 0.887 1092 V CB 1.382 33.165 31.823 -0.067 0.000 0.991 1092 V HN 0.851 nan 8.190 nan 0.000 0.434 1093 Y N 3.923 124.236 120.300 0.021 0.000 2.524 1093 Y HA 0.588 5.137 4.550 -0.001 0.000 0.344 1093 Y C 0.618 176.502 175.900 -0.027 0.000 1.012 1093 Y CA -0.990 57.105 58.100 -0.008 0.000 1.068 1093 Y CB 1.259 39.681 38.460 -0.063 0.000 1.249 1093 Y HN 0.627 nan 8.280 nan 0.000 0.468 1094 H N 0.725 119.916 119.070 0.201 0.000 2.972 1094 H HA 0.312 4.867 4.556 -0.001 0.000 0.343 1094 H C 0.170 175.618 175.328 0.201 0.000 1.054 1094 H CA 0.981 57.112 56.048 0.140 0.000 1.412 1094 H CB 0.738 30.508 29.762 0.015 0.000 1.385 1094 H HN 0.914 nan 8.280 nan 0.000 0.600 1095 G N 0.861 109.835 108.800 0.290 0.000 2.690 1095 G HA2 0.421 4.381 3.960 -0.001 0.000 0.291 1095 G HA3 0.421 4.381 3.960 -0.001 0.000 0.291 1095 G C -1.212 173.753 174.900 0.109 0.000 1.403 1095 G CA -0.625 44.580 45.100 0.174 0.000 0.864 1095 G HN 0.496 nan 8.290 nan 0.000 0.480 1096 T N 0.716 115.301 114.554 0.051 0.000 2.841 1096 T HA 0.580 4.929 4.350 -0.001 0.000 0.285 1096 T C -0.655 174.038 174.700 -0.011 0.000 0.991 1096 T CA -0.339 61.764 62.100 0.005 0.000 0.966 1096 T CB 1.732 70.605 68.868 0.010 0.000 0.962 1096 T HN 0.540 nan 8.240 nan 0.000 0.438 1105 I N -1.479 119.102 120.570 0.018 0.000 2.569 1105 I HA 0.465 4.634 4.170 -0.001 0.000 0.296 1105 I C -0.253 175.910 176.117 0.076 0.000 1.028 1105 I CA -0.964 60.366 61.300 0.049 0.000 1.082 1105 I CB 1.799 39.832 38.000 0.056 0.000 1.264 1105 I HN 0.562 nan 8.210 nan 0.000 0.429 1106 H N 4.399 123.475 119.070 0.010 0.000 2.803 1106 H HA 0.471 5.026 4.556 -0.001 0.000 0.330 1106 H C -0.359 175.003 175.328 0.056 0.000 1.057 1106 H CA -0.119 55.924 56.048 -0.009 0.000 1.458 1106 H CB 0.735 30.468 29.762 -0.048 0.000 1.470 1106 H HN 0.956 nan 8.280 nan 0.000 0.560 1107 C N 2.756 122.262 119.300 0.343 0.000 3.236 1107 C HA 0.900 5.360 4.460 -0.001 0.000 0.312 1107 C C -0.513 174.619 174.990 0.237 0.000 1.374 1107 C CA -0.771 58.390 59.018 0.238 0.000 1.455 1107 C CB 0.763 28.580 27.740 0.129 0.000 1.834 1107 C HN 0.946 nan 8.230 nan 0.000 0.460 1108 A N 0.909 123.825 122.820 0.161 0.000 2.318 1108 A HA 0.778 5.097 4.320 -0.001 0.000 0.324 1108 A C -0.826 176.805 177.584 0.079 0.000 1.170 1108 A CA -0.429 51.672 52.037 0.108 0.000 0.810 1108 A CB 0.841 19.880 19.000 0.065 0.000 1.198 1108 A HN 1.441 nan 8.150 nan 0.000 0.484 1109 V N 2.726 122.695 119.914 0.091 0.000 2.409 1109 V HA 0.399 4.518 4.120 -0.001 0.000 0.291 1109 V C 0.090 176.272 176.094 0.147 0.000 1.020 1109 V CA -0.655 61.711 62.300 0.109 0.000 0.848 1109 V CB 1.330 33.207 31.823 0.091 0.000 0.990 1109 V HN 0.907 nan 8.190 nan 0.000 0.430 1110 K N 3.009 123.489 120.400 0.134 0.000 2.240 1110 K HA 0.519 4.838 4.320 -0.001 0.000 0.271 1110 K C 0.120 176.837 176.600 0.196 0.000 1.018 1110 K CA -0.110 56.264 56.287 0.144 0.000 0.874 1110 K CB 1.343 33.921 32.500 0.130 0.000 1.098 1110 K HN 0.724 nan 8.250 nan 0.000 0.458 1111 S N 3.915 119.757 115.700 0.237 0.000 2.601 1111 S HA 0.380 4.849 4.470 -0.001 0.000 0.271 1111 S C -0.430 174.271 174.600 0.169 0.000 1.305 1111 S CA -0.618 57.734 58.200 0.253 0.000 1.022 1111 S CB 0.320 63.748 63.200 0.379 0.000 0.940 1111 S HN 0.597 nan 8.310 nan 0.000 0.525 1112 L N 4.060 125.358 121.223 0.126 0.000 2.454 1112 L HA 0.506 4.845 4.340 -0.001 0.000 0.258 1112 L C 0.709 177.611 176.870 0.053 0.000 1.025 1112 L CA -0.057 54.837 54.840 0.091 0.000 0.901 1112 L CB 0.444 42.538 42.059 0.060 0.000 1.210 1112 L HN 0.912 nan 8.230 nan 0.000 0.457 1113 N N 1.143 119.886 118.700 0.071 0.000 2.676 1113 N HA 0.731 5.470 4.740 -0.001 0.000 0.301 1113 N C 0.446 175.974 175.510 0.029 0.000 0.746 1113 N CA 0.681 53.754 53.050 0.038 0.000 1.211 1113 N CB 0.703 39.204 38.487 0.023 0.000 1.549 1113 N HN 0.368 nan 8.380 nan 0.000 1.309 1121 V N 0.871 120.797 119.914 0.019 0.000 2.490 1121 V HA -0.191 3.928 4.120 -0.001 0.000 0.250 1121 V C 2.721 178.864 176.094 0.082 0.000 1.061 1121 V CA 2.716 65.033 62.300 0.029 0.000 1.064 1121 V CB -0.222 31.587 31.823 -0.024 0.000 0.670 1121 V HN 0.940 nan 8.190 nan 0.000 0.461 1122 S N -0.255 115.476 115.700 0.051 0.000 2.365 1122 S HA -0.349 4.121 4.470 -0.001 0.000 0.225 1122 S C 2.096 176.730 174.600 0.057 0.000 1.039 1122 S CA 2.389 60.616 58.200 0.045 0.000 1.033 1122 S CB -0.249 62.966 63.200 0.026 0.000 0.887 1122 S HN 0.607 nan 8.310 nan 0.000 0.447 1123 Q N -0.173 119.665 119.800 0.063 0.000 2.123 1123 Q HA 0.044 4.383 4.340 -0.001 0.000 0.199 1123 Q C 1.728 177.767 176.000 0.064 0.000 0.966 1123 Q CA 1.619 57.452 55.803 0.051 0.000 0.845 1123 Q CB -0.707 28.057 28.738 0.043 0.000 0.907 1123 Q HN 0.673 nan 8.270 nan 0.000 0.439 1124 F N -0.302 119.626 119.950 -0.037 0.000 2.134 1124 F HA -0.128 4.398 4.527 -0.001 0.000 0.299 1124 F C 1.574 177.349 175.800 -0.042 0.000 1.097 1124 F CA 1.221 59.194 58.000 -0.046 0.000 1.264 1124 F CB 0.000 38.971 39.000 -0.048 0.000 1.001 1124 F HN 0.096 nan 8.300 nan 0.000 0.479 1125 L N -0.336 120.989 121.223 0.170 0.000 2.093 1125 L HA -0.196 4.143 4.340 -0.001 0.000 0.208 1125 L C 2.622 179.479 176.870 -0.022 0.000 1.085 1125 L CA 1.741 56.627 54.840 0.077 0.000 0.755 1125 L CB -0.989 41.122 42.059 0.087 0.000 0.904 1125 L HN 0.316 nan 8.230 nan 0.000 0.435 1126 T N -3.277 111.263 114.554 -0.023 0.000 2.777 1126 T HA -0.240 4.109 4.350 -0.001 0.000 0.266 1126 T C 1.652 176.294 174.700 -0.097 0.000 1.040 1126 T CA 1.303 63.376 62.100 -0.045 0.000 1.141 1126 T CB -0.248 68.608 68.868 -0.022 0.000 0.868 1126 T HN 0.240 nan 8.240 nan 0.000 0.444 1127 E N 1.758 121.877 120.200 -0.135 0.000 2.085 1127 E HA -0.029 4.320 4.350 -0.001 0.000 0.194 1127 E C 2.409 178.857 176.600 -0.253 0.000 0.994 1127 E CA 1.646 57.929 56.400 -0.196 0.000 0.801 1127 E CB -1.041 28.502 29.700 -0.262 0.000 0.743 1127 E HN 0.607 nan 8.360 nan 0.000 0.453 1128 G N 0.446 109.080 108.800 -0.278 0.000 2.402 1128 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.216 1128 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.216 1128 G C 1.639 176.437 174.900 -0.169 0.000 1.162 1128 G CA 0.918 45.874 45.100 -0.241 0.000 0.777 1128 G HN 0.291 nan 8.290 nan 0.000 0.539 1129 I N 0.847 121.341 120.570 -0.126 0.000 2.179 1129 I HA -0.156 4.013 4.170 -0.001 0.000 0.242 1129 I C 2.586 178.612 176.117 -0.151 0.000 1.088 1129 I CA 0.621 61.865 61.300 -0.094 0.000 1.357 1129 I CB -0.132 37.838 38.000 -0.051 0.000 1.051 1129 I HN 0.068 nan 8.210 nan 0.000 0.409 1130 I N 0.184 120.635 120.570 -0.199 0.000 2.163 1130 I HA -0.352 3.818 4.170 -0.001 0.000 0.243 1130 I C 2.547 178.310 176.117 -0.590 0.000 1.085 1130 I CA 1.927 63.035 61.300 -0.320 0.000 1.347 1130 I CB -0.981 36.858 38.000 -0.268 0.000 1.044 1130 I HN 0.374 nan 8.210 nan 0.000 0.408 1131 M N 0.432 119.738 119.600 -0.490 0.000 2.086 1131 M HA -0.224 4.255 4.480 -0.001 0.000 0.261 1131 M C 2.285 178.412 176.300 -0.289 0.000 1.067 1131 M CA 1.767 56.775 55.300 -0.487 0.000 1.116 1131 M CB -0.183 32.222 32.600 -0.325 0.000 1.348 1131 M HN 0.050 nan 8.290 nan 0.000 0.407 1132 K N 0.153 120.441 120.400 -0.187 0.000 2.152 1132 K HA -0.184 4.135 4.320 -0.001 0.000 0.206 1132 K C 1.207 177.787 176.600 -0.032 0.000 1.048 1132 K CA 1.619 57.858 56.287 -0.081 0.000 0.933 1132 K CB -0.238 32.228 32.500 -0.056 0.000 0.721 1132 K HN 0.439 nan 8.250 nan 0.000 0.447 1133 D N -0.242 120.113 120.400 -0.074 0.000 2.264 1133 D HA -0.085 4.554 4.640 -0.001 0.000 0.208 1133 D C 0.180 176.627 176.300 0.246 0.000 0.966 1133 D CA 0.631 54.649 54.000 0.030 0.000 0.864 1133 D CB -0.063 40.733 40.800 -0.007 0.000 0.933 1133 D HN -0.036 nan 8.370 nan 0.000 0.499 1134 F N 0.896 120.906 119.950 0.100 0.000 2.506 1134 F HA 0.285 4.811 4.527 -0.001 0.000 0.371 1134 F C 0.888 176.751 175.800 0.104 0.000 1.078 1134 F CA -0.876 57.248 58.000 0.207 0.000 1.195 1134 F CB 0.489 39.622 39.000 0.222 0.000 1.099 1134 F HN -0.371 nan 8.300 nan 0.000 0.548 1135 S N 4.124 119.948 115.700 0.206 0.000 2.776 1135 S HA 0.374 4.843 4.470 -0.001 0.000 0.284 1135 S C -1.455 172.932 174.600 -0.356 0.000 1.160 1135 S CA -0.378 57.797 58.200 -0.042 0.000 1.051 1135 S CB 0.246 63.452 63.200 0.010 0.000 1.037 1135 S HN 0.750 nan 8.310 nan 0.000 0.485 1136 H N 4.877 123.641 119.070 -0.511 0.000 3.038 1136 H HA 0.358 4.913 4.556 -0.001 0.000 0.362 1136 H C -2.401 172.757 175.328 -0.282 0.000 1.167 1136 H CA -1.459 54.249 56.048 -0.566 0.000 1.197 1136 H CB 2.533 31.692 29.762 -1.004 0.000 1.840 1136 H HN 0.357 nan 8.280 nan 0.000 0.540 1137 P HA -0.067 nan 4.420 nan 0.000 0.223 1137 P C -0.068 177.196 177.300 -0.061 0.000 1.144 1137 P CA 1.074 64.043 63.100 -0.218 0.000 0.783 1137 P CB 0.328 31.868 31.700 -0.267 0.000 0.771 1138 N N -0.991 117.781 118.700 0.119 0.000 2.275 1138 N HA 0.187 4.926 4.740 -0.001 0.000 0.236 1138 N C -0.847 174.697 175.510 0.056 0.000 1.154 1138 N CA -0.195 52.919 53.050 0.107 0.000 0.866 1138 N CB 0.831 39.396 38.487 0.130 0.000 1.093 1138 N HN -0.093 nan 8.380 nan 0.000 0.515 1139 V N 1.491 121.437 119.914 0.052 0.000 2.577 1139 V HA 0.268 4.387 4.120 -0.001 0.000 0.303 1139 V C -0.510 175.671 176.094 0.146 0.000 1.042 1139 V CA -1.005 61.341 62.300 0.076 0.000 0.872 1139 V CB 2.227 34.045 31.823 -0.008 0.000 0.998 1139 V HN 0.100 nan 8.190 nan 0.000 0.423 1140 L N 5.463 126.831 121.223 0.242 0.000 2.462 1140 L HA 0.359 4.698 4.340 -0.001 0.000 0.272 1140 L C 0.862 177.813 176.870 0.135 0.000 1.166 1140 L CA 0.909 55.833 54.840 0.139 0.000 0.880 1140 L CB 1.004 43.114 42.059 0.085 0.000 1.142 1140 L HN 0.920 nan 8.230 nan 0.000 0.473 1141 S N 5.019 120.750 115.700 0.053 0.000 2.669 1141 S HA 0.549 5.018 4.470 -0.001 0.000 0.270 1141 S C -0.415 174.165 174.600 -0.033 0.000 1.225 1141 S CA -0.909 57.314 58.200 0.039 0.000 0.991 1141 S CB 1.305 64.519 63.200 0.025 0.000 0.987 1141 S HN 0.658 nan 8.310 nan 0.000 0.552 1142 L N 1.872 123.068 121.223 -0.044 0.000 2.287 1142 L HA 0.466 4.805 4.340 -0.001 0.000 0.287 1142 L C 0.390 177.242 176.870 -0.030 0.000 1.022 1142 L CA -0.431 54.367 54.840 -0.070 0.000 0.814 1142 L CB 0.595 42.585 42.059 -0.115 0.000 1.217 1142 L HN 0.903 nan 8.230 nan 0.000 0.420 1143 L N 4.492 125.705 121.223 -0.015 0.000 2.131 1143 L HA 0.398 4.737 4.340 -0.001 0.000 0.206 1143 L C 1.102 177.977 176.870 0.009 0.000 1.087 1143 L CA 0.742 55.584 54.840 0.004 0.000 0.767 1143 L CB -0.542 41.527 42.059 0.016 0.000 0.917 1143 L HN 0.862 nan 8.230 nan 0.000 0.441 1144 G N -0.550 108.252 108.800 0.004 0.000 2.324 1144 G HA2 0.297 4.256 3.960 -0.001 0.000 0.293 1144 G HA3 0.297 4.256 3.960 -0.001 0.000 0.293 1144 G C -1.766 173.151 174.900 0.029 0.000 1.297 1144 G CA -0.855 44.253 45.100 0.013 0.000 0.853 1144 G HN -0.096 nan 8.290 nan 0.000 0.535 1145 I N -0.141 120.459 120.570 0.050 0.000 2.441 1145 I HA 0.488 4.657 4.170 -0.001 0.000 0.295 1145 I C -0.142 176.021 176.117 0.076 0.000 0.994 1145 I CA -0.725 60.633 61.300 0.098 0.000 1.144 1145 I CB 2.099 40.206 38.000 0.177 0.000 1.314 1145 I HN 0.552 nan 8.210 nan 0.000 0.445 1146 C N 7.869 127.213 119.300 0.074 0.000 2.239 1146 C HA 0.595 5.054 4.460 -0.001 0.000 0.323 1146 C C 0.260 175.270 174.990 0.034 0.000 1.205 1146 C CA -0.574 58.472 59.018 0.046 0.000 1.584 1146 C CB -1.163 26.601 27.740 0.041 0.000 2.201 1146 C HN 0.659 nan 8.230 nan 0.000 0.475 1154 L N 0.369 121.638 121.223 0.076 0.000 2.313 1154 L HA 0.554 4.893 4.340 -0.001 0.000 0.283 1154 L C -0.076 176.879 176.870 0.142 0.000 1.013 1154 L CA -1.106 53.810 54.840 0.126 0.000 0.816 1154 L CB 1.972 44.104 42.059 0.122 0.000 1.236 1154 L HN 0.077 nan 8.230 nan 0.000 0.419 1155 V N 4.353 124.359 119.914 0.154 0.000 2.432 1155 V HA 0.200 4.319 4.120 -0.001 0.000 0.271 1155 V C 0.172 176.310 176.094 0.074 0.000 1.046 1155 V CA -0.504 61.864 62.300 0.114 0.000 0.945 1155 V CB 1.411 33.292 31.823 0.096 0.000 0.992 1155 V HN 0.415 nan 8.190 nan 0.000 0.471 1156 V N 7.463 127.406 119.914 0.049 0.000 2.347 1156 V HA 0.485 4.605 4.120 -0.001 0.000 0.280 1156 V C -0.058 176.046 176.094 0.018 0.000 1.021 1156 V CA -0.300 62.024 62.300 0.040 0.000 0.847 1156 V CB 1.127 32.974 31.823 0.039 0.000 0.990 1156 V HN 0.638 nan 8.190 nan 0.000 0.444 1157 L N 6.316 127.551 121.223 0.021 0.000 2.319 1157 L HA 0.618 4.957 4.340 -0.001 0.000 0.267 1157 L C -2.521 174.363 176.870 0.024 0.000 1.011 1157 L CA -2.268 52.571 54.840 -0.002 0.000 0.818 1157 L CB 2.428 44.471 42.059 -0.027 0.000 1.316 1157 L HN 0.357 nan 8.230 nan 0.000 0.432 1158 P HA -0.053 nan 4.420 nan 0.000 0.268 1158 P C -1.205 176.113 177.300 0.030 0.000 1.205 1158 P CA 0.074 63.189 63.100 0.025 0.000 0.771 1158 P CB 0.166 31.860 31.700 -0.011 0.000 0.858 1159 Y N 3.376 123.631 120.300 -0.075 0.000 2.511 1159 Y HA 0.169 4.718 4.550 -0.001 0.000 0.332 1159 Y C 0.175 175.960 175.900 -0.192 0.000 1.177 1159 Y CA -0.019 57.982 58.100 -0.165 0.000 1.422 1159 Y CB 0.415 38.699 38.460 -0.294 0.000 1.271 1159 Y HN 0.204 nan 8.280 nan 0.000 0.550 1160 M N 7.696 126.783 119.600 -0.855 0.000 2.060 1160 M HA 0.136 4.616 4.480 -0.001 0.000 0.342 1160 M C 0.832 176.492 176.300 -1.068 0.000 1.031 1160 M CA -0.306 54.552 55.300 -0.736 0.000 0.981 1160 M CB 1.292 33.633 32.600 -0.431 0.000 1.376 1160 M HN 0.829 nan 8.290 nan 0.000 0.397 1161 K N 1.561 121.360 120.400 -1.001 0.000 2.074 1161 K HA -0.172 4.148 4.320 -0.001 0.000 0.209 1161 K C 0.930 177.144 176.600 -0.643 0.000 1.048 1161 K CA 1.582 57.376 56.287 -0.822 0.000 0.926 1161 K CB 0.275 32.424 32.500 -0.585 0.000 0.713 1161 K HN 0.590 nan 8.250 nan 0.000 0.444 1162 H N -0.724 118.134 119.070 -0.353 0.000 2.520 1162 H HA 0.162 4.718 4.556 -0.001 0.000 0.284 1162 H C 1.033 176.274 175.328 -0.146 0.000 1.037 1162 H CA 0.533 56.469 56.048 -0.187 0.000 1.168 1162 H CB 0.464 30.068 29.762 -0.265 0.000 1.497 1162 H HN 0.485 nan 8.280 nan 0.000 0.547 1163 G N 2.052 110.749 108.800 -0.171 0.000 2.552 1163 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.265 1163 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.265 1163 G C -0.064 174.757 174.900 -0.132 0.000 1.234 1163 G CA 0.059 45.071 45.100 -0.146 0.000 0.944 1163 G HN 0.501 nan 8.290 nan 0.000 0.568 1164 D N 0.328 120.676 120.400 -0.087 0.000 2.313 1164 D HA 0.329 4.969 4.640 -0.001 0.000 0.247 1164 D C 1.637 177.912 176.300 -0.041 0.000 1.094 1164 D CA -0.187 53.764 54.000 -0.082 0.000 0.925 1164 D CB 1.689 42.451 40.800 -0.063 0.000 1.188 1164 D HN 0.610 nan 8.370 nan 0.000 0.430 1165 L N 1.746 122.923 121.223 -0.075 0.000 2.093 1165 L HA -0.102 4.237 4.340 -0.001 0.000 0.208 1165 L C 2.555 179.446 176.870 0.035 0.000 1.085 1165 L CA 1.431 56.220 54.840 -0.086 0.000 0.755 1165 L CB -0.625 41.352 42.059 -0.137 0.000 0.904 1165 L HN 0.513 nan 8.230 nan 0.000 0.435 1166 R N -0.236 120.292 120.500 0.045 0.000 2.070 1166 R HA -0.197 4.142 4.340 -0.001 0.000 0.233 1166 R C 2.134 178.489 176.300 0.093 0.000 1.137 1166 R CA 2.237 58.384 56.100 0.078 0.000 0.945 1166 R CB -0.459 29.884 30.300 0.072 0.000 0.845 1166 R HN 0.550 nan 8.270 nan 0.000 0.430 1167 N N -0.513 118.241 118.700 0.090 0.000 2.104 1167 N HA -0.203 4.536 4.740 -0.001 0.000 0.190 1167 N C 1.606 177.178 175.510 0.103 0.000 1.024 1167 N CA 1.404 54.509 53.050 0.092 0.000 0.853 1167 N CB -0.223 38.314 38.487 0.084 0.000 1.008 1167 N HN 0.142 nan 8.380 nan 0.000 0.424 1168 F N 2.158 122.095 119.950 -0.021 0.000 2.095 1168 F HA -0.129 4.398 4.527 -0.001 0.000 0.298 1168 F C 1.969 177.766 175.800 -0.005 0.000 1.104 1168 F CA 1.228 59.204 58.000 -0.041 0.000 1.232 1168 F CB -0.212 38.706 39.000 -0.137 0.000 0.987 1168 F HN 0.034 nan 8.300 nan 0.000 0.475 1169 I N -1.688 118.967 120.570 0.141 0.000 2.761 1169 I HA -0.059 4.110 4.170 -0.001 0.000 0.261 1169 I C 2.014 178.135 176.117 0.007 0.000 1.198 1169 I CA 0.999 62.353 61.300 0.089 0.000 1.482 1169 I CB -0.564 37.538 38.000 0.171 0.000 1.100 1169 I HN 0.042 nan 8.210 nan 0.000 0.445 1170 R N 1.218 121.727 120.500 0.014 0.000 2.240 1170 R HA 0.081 4.420 4.340 -0.001 0.000 0.203 1170 R C 0.613 176.903 176.300 -0.016 0.000 1.011 1170 R CA -0.029 56.077 56.100 0.010 0.000 1.007 1170 R CB -0.319 30.007 30.300 0.042 0.000 0.911 1170 R HN 0.331 nan 8.270 nan 0.000 0.468 1171 N N 2.155 120.821 118.700 -0.057 0.000 2.431 1171 N HA -0.067 4.672 4.740 -0.001 0.000 0.265 1171 N C 0.128 175.593 175.510 -0.074 0.000 1.184 1171 N CA 0.483 53.495 53.050 -0.063 0.000 0.943 1171 N CB 0.881 39.312 38.487 -0.093 0.000 1.080 1171 N HN 0.129 nan 8.380 nan 0.000 0.477 1172 E N 1.646 121.822 120.200 -0.039 0.000 2.511 1172 E HA -0.057 4.293 4.350 -0.001 0.000 0.196 1172 E C 0.670 177.236 176.600 -0.057 0.000 1.066 1172 E CA 0.448 56.822 56.400 -0.044 0.000 0.871 1172 E CB 0.255 29.939 29.700 -0.026 0.000 0.863 1172 E HN 0.640 nan 8.360 nan 0.000 0.520 1173 T N -0.002 114.519 114.554 -0.054 0.000 2.701 1173 T HA -0.081 4.268 4.350 -0.001 0.000 0.263 1173 T C 0.500 175.065 174.700 -0.224 0.000 1.040 1173 T CA 1.153 63.190 62.100 -0.105 0.000 1.147 1173 T CB -0.078 68.762 68.868 -0.046 0.000 0.865 1173 T HN 0.205 nan 8.240 nan 0.000 0.426 1174 H N 1.647 120.596 119.070 -0.202 0.000 2.488 1174 H HA 0.490 5.046 4.556 -0.001 0.000 0.347 1174 H C -0.127 175.076 175.328 -0.208 0.000 1.174 1174 H CA -0.854 55.050 56.048 -0.241 0.000 1.307 1174 H CB 0.523 29.997 29.762 -0.479 0.000 1.517 1174 H HN 0.235 nan 8.280 nan 0.000 0.554 1175 N N 1.132 119.812 118.700 -0.034 0.000 2.690 1175 N HA 0.214 4.954 4.740 -0.001 0.000 0.255 1175 N C -3.093 172.392 175.510 -0.043 0.000 1.195 1175 N CA -1.629 51.389 53.050 -0.054 0.000 0.790 1175 N CB 0.690 39.133 38.487 -0.072 0.000 1.216 1175 N HN 0.292 nan 8.380 nan 0.000 0.528 1176 P HA 0.105 nan 4.420 nan 0.000 0.269 1176 P C 0.227 177.462 177.300 -0.108 0.000 1.209 1176 P CA 0.036 63.117 63.100 -0.033 0.000 0.776 1176 P CB 0.608 32.351 31.700 0.072 0.000 0.876 1177 T N -1.803 112.659 114.554 -0.153 0.000 2.788 1177 T HA 0.131 4.481 4.350 -0.001 0.000 0.280 1177 T C 1.468 176.033 174.700 -0.226 0.000 0.984 1177 T CA -0.679 61.316 62.100 -0.177 0.000 0.972 1177 T CB 0.113 68.886 68.868 -0.158 0.000 1.039 1177 T HN 0.059 nan 8.240 nan 0.000 0.530 1178 V N 1.116 120.879 119.914 -0.252 0.000 2.332 1178 V HA -0.156 3.963 4.120 -0.001 0.000 0.248 1178 V C 2.868 178.668 176.094 -0.489 0.000 1.055 1178 V CA 2.328 64.427 62.300 -0.335 0.000 1.038 1178 V CB -0.991 30.643 31.823 -0.315 0.000 0.651 1178 V HN 1.005 nan 8.190 nan 0.000 0.450 1179 K N -0.145 119.950 120.400 -0.508 0.000 2.063 1179 K HA -0.240 4.079 4.320 -0.001 0.000 0.208 1179 K C 1.883 178.350 176.600 -0.222 0.000 1.048 1179 K CA 1.978 57.990 56.287 -0.457 0.000 0.928 1179 K CB -0.250 32.044 32.500 -0.342 0.000 0.713 1179 K HN 0.453 nan 8.250 nan 0.000 0.442 1180 D N 0.848 121.078 120.400 -0.284 0.000 2.123 1180 D HA -0.171 4.469 4.640 -0.001 0.000 0.196 1180 D C 2.017 177.851 176.300 -0.777 0.000 0.992 1180 D CA 1.129 54.847 54.000 -0.471 0.000 0.833 1180 D CB -0.158 40.364 40.800 -0.463 0.000 0.954 1180 D HN 0.249 nan 8.370 nan 0.000 0.455 1181 L N 0.458 121.392 121.223 -0.482 0.000 2.017 1181 L HA -0.135 4.205 4.340 -0.001 0.000 0.208 1181 L C 2.589 179.368 176.870 -0.152 0.000 1.073 1181 L CA 0.735 55.409 54.840 -0.277 0.000 0.745 1181 L CB -0.347 41.646 42.059 -0.110 0.000 0.894 1181 L HN 0.009 nan 8.230 nan 0.000 0.432 1182 I N -0.092 120.391 120.570 -0.145 0.000 2.226 1182 I HA -0.220 3.950 4.170 -0.001 0.000 0.245 1182 I C 2.658 178.777 176.117 0.002 0.000 1.100 1182 I CA 1.432 62.716 61.300 -0.027 0.000 1.374 1182 I CB -0.931 37.058 38.000 -0.018 0.000 1.057 1182 I HN 0.289 nan 8.210 nan 0.000 0.413 1183 G N 0.702 109.478 108.800 -0.040 0.000 2.440 1183 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.218 1183 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.218 1183 G C 1.647 176.493 174.900 -0.090 0.000 1.154 1183 G CA 0.616 45.557 45.100 -0.264 0.000 0.767 1183 G HN 0.327 nan 8.290 nan 0.000 0.552 1184 F N 1.219 121.151 119.950 -0.030 0.000 2.134 1184 F HA -0.046 4.481 4.527 -0.001 0.000 0.299 1184 F C 3.041 178.854 175.800 0.021 0.000 1.097 1184 F CA 0.326 58.316 58.000 -0.018 0.000 1.264 1184 F CB -0.323 38.675 39.000 -0.004 0.000 1.001 1184 F HN 0.247 nan 8.300 nan 0.000 0.479 1185 G N 0.514 109.449 108.800 0.224 0.000 2.446 1185 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.217 1185 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.217 1185 G C 1.498 176.569 174.900 0.284 0.000 1.168 1185 G CA 0.978 46.212 45.100 0.223 0.000 0.771 1185 G HN 0.244 nan 8.290 nan 0.000 0.551 1186 L N 0.476 121.770 121.223 0.118 0.000 2.046 1186 L HA -0.039 4.300 4.340 -0.001 0.000 0.208 1186 L C 2.884 179.766 176.870 0.020 0.000 1.077 1186 L CA 2.010 56.869 54.840 0.031 0.000 0.747 1186 L CB -0.818 41.134 42.059 -0.178 0.000 0.896 1186 L HN 0.351 nan 8.230 nan 0.000 0.432 1187 Q N -1.213 118.602 119.800 0.024 0.000 2.050 1187 Q HA -0.187 4.153 4.340 -0.001 0.000 0.202 1187 Q C 2.177 178.201 176.000 0.039 0.000 0.980 1187 Q CA 1.972 57.795 55.803 0.032 0.000 0.840 1187 Q CB -0.328 28.445 28.738 0.058 0.000 0.898 1187 Q HN 0.467 nan 8.270 nan 0.000 0.424 1188 V N 1.156 121.129 119.914 0.099 0.000 2.282 1188 V HA -0.334 3.785 4.120 -0.001 0.000 0.249 1188 V C 2.319 178.377 176.094 -0.059 0.000 1.057 1188 V CA 1.948 64.304 62.300 0.095 0.000 1.032 1188 V CB -1.104 30.891 31.823 0.286 0.000 0.645 1188 V HN 0.430 nan 8.190 nan 0.000 0.447 1189 A N -0.299 122.489 122.820 -0.053 0.000 1.908 1189 A HA -0.271 4.048 4.320 -0.001 0.000 0.218 1189 A C 2.290 179.725 177.584 -0.248 0.000 1.181 1189 A CA 2.182 54.034 52.037 -0.310 0.000 0.627 1189 A CB -0.458 18.430 19.000 -0.187 0.000 0.818 1189 A HN 0.583 nan 8.150 nan 0.000 0.445 1190 K N -0.868 119.452 120.400 -0.133 0.000 2.057 1190 K HA -0.060 4.259 4.320 -0.001 0.000 0.206 1190 K C 2.150 178.562 176.600 -0.313 0.000 1.050 1190 K CA 1.004 57.221 56.287 -0.118 0.000 0.935 1190 K CB -0.438 32.089 32.500 0.045 0.000 0.715 1190 K HN 0.461 nan 8.250 nan 0.000 0.439 1191 G N 1.175 109.811 108.800 -0.273 0.000 2.418 1191 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.217 1191 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.217 1191 G C 1.458 176.106 174.900 -0.421 0.000 1.158 1191 G CA 0.650 45.539 45.100 -0.351 0.000 0.771 1191 G HN 0.062 nan 8.290 nan 0.000 0.545 1192 M N 0.450 119.717 119.600 -0.554 0.000 2.254 1192 M HA 0.095 4.574 4.480 -0.001 0.000 0.265 1192 M C 2.270 178.111 176.300 -0.765 0.000 1.066 1192 M CA 0.922 55.684 55.300 -0.898 0.000 1.123 1192 M CB -0.803 30.691 32.600 -1.844 0.000 1.388 1192 M HN 0.312 nan 8.290 nan 0.000 0.425 1193 K N -0.322 119.778 120.400 -0.501 0.000 2.032 1193 K HA -0.239 4.081 4.320 -0.001 0.000 0.209 1193 K C 2.143 178.608 176.600 -0.225 0.000 1.048 1193 K CA 1.532 57.694 56.287 -0.210 0.000 0.927 1193 K CB -0.346 32.090 32.500 -0.107 0.000 0.712 1193 K HN 0.214 nan 8.250 nan 0.000 0.441 1194 Y N 1.625 121.651 120.300 -0.456 0.000 2.097 1194 Y HA -0.244 4.305 4.550 -0.001 0.000 0.282 1194 Y C 1.898 177.541 175.900 -0.430 0.000 1.152 1194 Y CA 1.859 59.679 58.100 -0.466 0.000 1.136 1194 Y CB -0.345 37.674 38.460 -0.735 0.000 0.975 1194 Y HN 0.014 nan 8.280 nan 0.000 0.498 1195 L N -0.287 120.700 121.223 -0.393 0.000 2.042 1195 L HA -0.270 4.069 4.340 -0.001 0.000 0.210 1195 L C 2.795 179.500 176.870 -0.276 0.000 1.076 1195 L CA 1.274 55.859 54.840 -0.425 0.000 0.749 1195 L CB -1.084 40.827 42.059 -0.245 0.000 0.893 1195 L HN 0.371 nan 8.230 nan 0.000 0.432 1196 A N 0.144 122.845 122.820 -0.198 0.000 1.940 1196 A HA -0.240 4.079 4.320 -0.001 0.000 0.219 1196 A C 2.503 180.020 177.584 -0.112 0.000 1.176 1196 A CA 2.056 54.052 52.037 -0.068 0.000 0.631 1196 A CB -0.739 18.302 19.000 0.068 0.000 0.814 1196 A HN 0.547 nan 8.150 nan 0.000 0.446 1197 S N -0.803 114.770 115.700 -0.211 0.000 2.447 1197 S HA -0.061 4.408 4.470 -0.001 0.000 0.233 1197 S C 1.341 175.795 174.600 -0.243 0.000 1.006 1197 S CA 1.173 59.246 58.200 -0.213 0.000 0.957 1197 S CB -0.120 62.932 63.200 -0.246 0.000 0.773 1197 S HN 0.422 nan 8.310 nan 0.000 0.507 1198 K N 1.045 121.243 120.400 -0.336 0.000 2.387 1198 K HA 0.210 4.530 4.320 -0.001 0.000 0.198 1198 K C -0.006 176.575 176.600 -0.032 0.000 1.022 1198 K CA -0.045 56.097 56.287 -0.242 0.000 1.128 1198 K CB 0.047 32.239 32.500 -0.513 0.000 0.853 1198 K HN 0.288 nan 8.250 nan 0.000 0.523 1199 K N 0.146 120.532 120.400 -0.024 0.000 3.129 1199 K HA -0.217 4.102 4.320 -0.001 0.000 0.273 1199 K C -0.282 176.386 176.600 0.113 0.000 1.123 1199 K CA 0.512 56.824 56.287 0.041 0.000 0.800 1199 K CB -2.477 30.050 32.500 0.046 0.000 1.238 1199 K HN 0.199 nan 8.250 nan 0.000 0.492 1200 F N 0.939 120.859 119.950 -0.050 0.000 2.405 1200 F HA 0.331 4.857 4.527 -0.001 0.000 0.355 1200 F C 0.298 176.099 175.800 0.002 0.000 1.121 1200 F CA -0.930 57.069 58.000 -0.002 0.000 1.112 1200 F CB 1.034 40.027 39.000 -0.012 0.000 1.126 1200 F HN -0.141 nan 8.300 nan 0.000 0.481 1201 V N 7.229 126.816 119.914 -0.545 0.000 2.406 1201 V HA 0.057 4.176 4.120 -0.001 0.000 0.272 1201 V C 1.203 176.904 176.094 -0.656 0.000 1.043 1201 V CA -0.325 61.751 62.300 -0.372 0.000 0.915 1201 V CB 0.903 32.636 31.823 -0.150 0.000 0.988 1201 V HN 0.855 nan 8.190 nan 0.000 0.466 1202 H N 5.227 124.110 119.070 -0.312 0.000 2.333 1202 H HA -0.017 4.538 4.556 -0.001 0.000 0.302 1202 H C 1.666 176.933 175.328 -0.103 0.000 1.075 1202 H CA 2.057 58.022 56.048 -0.139 0.000 1.348 1202 H CB 0.391 30.194 29.762 0.068 0.000 1.393 1202 H HN 0.753 nan 8.280 nan 0.000 0.509 1203 R N -1.153 119.413 120.500 0.110 0.000 3.606 1203 R HA -0.179 4.160 4.340 -0.001 0.000 0.439 1203 R C -0.230 176.127 176.300 0.095 0.000 0.585 1203 R CA 1.466 57.504 56.100 -0.103 0.000 1.521 1203 R CB -1.385 28.596 30.300 -0.532 0.000 2.112 1203 R HN 0.335 nan 8.270 nan 0.000 0.375 1204 D N 0.195 120.851 120.400 0.426 0.000 2.940 1204 D HA 0.162 4.801 4.640 -0.001 0.000 0.366 1204 D C -1.103 175.351 176.300 0.256 0.000 1.446 1204 D CA -0.407 53.800 54.000 0.345 0.000 0.780 1204 D CB 0.376 41.356 40.800 0.301 0.000 1.206 1204 D HN 0.036 nan 8.370 nan 0.000 0.454 1205 L N 1.592 122.877 121.223 0.103 0.000 2.462 1205 L HA 0.606 4.945 4.340 -0.001 0.000 0.272 1205 L C -0.372 176.506 176.870 0.013 0.000 1.166 1205 L CA 0.399 55.174 54.840 -0.109 0.000 0.880 1205 L CB 0.400 42.459 42.059 0.000 0.000 1.142 1205 L HN 0.223 nan 8.230 nan 0.000 0.473 1206 A N 3.803 126.579 122.820 -0.072 0.000 2.586 1206 A HA 0.681 5.000 4.320 -0.001 0.000 0.291 1206 A C 0.389 177.955 177.584 -0.030 0.000 1.062 1206 A CA -0.145 51.801 52.037 -0.152 0.000 0.666 1206 A CB 0.199 18.700 19.000 -0.832 0.000 1.281 1206 A HN 1.021 nan 8.150 nan 0.000 0.421 1207 A N 0.626 123.482 122.820 0.060 0.000 1.933 1207 A HA -0.124 4.195 4.320 -0.001 0.000 0.218 1207 A C 1.936 179.521 177.584 0.001 0.000 1.175 1207 A CA 2.022 54.092 52.037 0.055 0.000 0.628 1207 A CB -0.658 18.408 19.000 0.110 0.000 0.814 1207 A HN 1.188 nan 8.150 nan 0.000 0.444 1208 R N -0.800 119.678 120.500 -0.037 0.000 2.249 1208 R HA -0.065 4.274 4.340 -0.001 0.000 0.230 1208 R C 0.408 176.707 176.300 -0.001 0.000 1.121 1208 R CA 1.673 57.762 56.100 -0.017 0.000 0.997 1208 R CB -0.428 29.856 30.300 -0.026 0.000 0.867 1208 R HN 0.349 nan 8.270 nan 0.000 0.465 1209 N N -0.272 118.427 118.700 -0.001 0.000 2.203 1209 N HA 0.131 4.870 4.740 -0.001 0.000 0.207 1209 N C -0.874 174.664 175.510 0.046 0.000 1.130 1209 N CA -0.096 52.991 53.050 0.062 0.000 0.861 1209 N CB 0.655 39.223 38.487 0.135 0.000 1.005 1209 N HN 0.143 nan 8.380 nan 0.000 0.507 1210 C N 0.875 120.171 119.300 -0.007 0.000 2.454 1210 C HA 0.647 5.106 4.460 -0.001 0.000 0.336 1210 C C 0.244 175.183 174.990 -0.085 0.000 1.189 1210 C CA -0.765 58.237 59.018 -0.027 0.000 1.877 1210 C CB 1.137 28.860 27.740 -0.029 0.000 2.348 1210 C HN 0.177 nan 8.230 nan 0.000 0.508 1211 M N 2.006 121.538 119.600 -0.112 0.000 2.619 1211 M HA 0.644 5.123 4.480 -0.001 0.000 0.297 1211 M C -1.587 174.578 176.300 -0.226 0.000 1.229 1211 M CA -0.624 54.573 55.300 -0.173 0.000 0.860 1211 M CB 1.629 34.125 32.600 -0.174 0.000 1.741 1211 M HN 0.258 nan 8.290 nan 0.000 0.462 1212 L N 1.488 122.538 121.223 -0.288 0.000 2.341 1212 L HA 0.440 4.779 4.340 -0.001 0.000 0.278 1212 L C -0.182 176.508 176.870 -0.300 0.000 1.005 1212 L CA -0.391 54.245 54.840 -0.340 0.000 0.818 1212 L CB 1.397 43.125 42.059 -0.551 0.000 1.259 1212 L HN 0.664 nan 8.230 nan 0.000 0.418 1213 D N 1.370 121.610 120.400 -0.265 0.000 2.507 1213 D HA 0.076 4.715 4.640 -0.001 0.000 0.280 1213 D C 0.946 177.070 176.300 -0.294 0.000 1.219 1213 D CA -0.320 53.518 54.000 -0.270 0.000 1.085 1213 D CB 0.339 41.024 40.800 -0.192 0.000 1.134 1213 D HN 0.581 nan 8.370 nan 0.000 0.583 1214 E N 0.208 120.251 120.200 -0.262 0.000 2.204 1214 E HA -0.237 4.112 4.350 -0.001 0.000 0.195 1214 E C 0.800 177.201 176.600 -0.332 0.000 0.990 1214 E CA 1.135 57.370 56.400 -0.275 0.000 0.821 1214 E CB -0.371 29.238 29.700 -0.152 0.000 0.750 1214 E HN 0.537 nan 8.360 nan 0.000 0.477 1215 K N -0.103 120.173 120.400 -0.207 0.000 2.410 1215 K HA 0.136 4.455 4.320 -0.001 0.000 0.200 1215 K C -0.517 176.131 176.600 0.079 0.000 1.023 1215 K CA -0.108 56.151 56.287 -0.047 0.000 1.149 1215 K CB -0.198 32.311 32.500 0.015 0.000 0.859 1215 K HN -0.015 nan 8.250 nan 0.000 0.514 1216 F N -0.079 119.840 119.950 -0.052 0.000 3.057 1216 F HA -0.258 4.268 4.527 -0.001 0.000 0.287 1216 F C 0.012 175.732 175.800 -0.133 0.000 0.834 1216 F CA 0.463 58.356 58.000 -0.179 0.000 1.147 1216 F CB -2.724 36.201 39.000 -0.126 0.000 1.245 1216 F HN -0.089 nan 8.300 nan 0.000 0.509 1217 T N 1.543 116.087 114.554 -0.017 0.000 2.779 1217 T HA 0.457 4.807 4.350 -0.001 0.000 0.296 1217 T C 0.556 175.201 174.700 -0.092 0.000 0.938 1217 T CA -0.392 61.694 62.100 -0.023 0.000 1.119 1217 T CB 1.037 69.883 68.868 -0.037 0.000 0.891 1217 T HN 0.062 nan 8.240 nan 0.000 0.526 1218 V N 5.447 125.319 119.914 -0.070 0.000 2.530 1218 V HA 0.311 4.430 4.120 -0.001 0.000 0.282 1218 V C 0.373 176.432 176.094 -0.058 0.000 1.048 1218 V CA -0.336 61.895 62.300 -0.115 0.000 0.997 1218 V CB 0.651 32.416 31.823 -0.096 0.000 0.987 1218 V HN 0.741 nan 8.190 nan 0.000 0.477 1219 K N 3.453 123.814 120.400 -0.065 0.000 2.426 1219 K HA 0.547 4.867 4.320 -0.001 0.000 0.254 1219 K C -1.141 175.470 176.600 0.018 0.000 0.936 1219 K CA -0.839 55.440 56.287 -0.014 0.000 0.801 1219 K CB 2.409 34.900 32.500 -0.016 0.000 1.139 1219 K HN 0.420 nan 8.250 nan 0.000 0.424 1220 V N 2.877 122.816 119.914 0.041 0.000 2.529 1220 V HA 0.169 4.288 4.120 -0.001 0.000 0.292 1220 V C 0.437 176.695 176.094 0.274 0.000 1.028 1220 V CA 0.394 62.742 62.300 0.080 0.000 1.074 1220 V CB 0.437 32.250 31.823 -0.016 0.000 0.958 1220 V HN 0.997 nan 8.190 nan 0.000 0.481 1221 A N 3.634 126.652 122.820 0.330 0.000 3.458 1221 A HA 0.688 5.007 4.320 -0.001 0.000 0.205 1221 A C 0.424 178.358 177.584 0.584 0.000 1.060 1221 A CA 0.111 52.387 52.037 0.399 0.000 0.829 1221 A CB 0.126 19.200 19.000 0.125 0.000 1.419 1221 A HN 0.904 nan 8.150 nan 0.000 0.644 1222 D N -1.880 118.721 120.400 0.336 0.000 2.697 1222 D HA -0.143 4.496 4.640 -0.001 0.000 0.235 1222 D C -0.418 176.094 176.300 0.354 0.000 1.167 1222 D CA 1.665 55.893 54.000 0.380 0.000 0.656 1222 D CB -1.667 39.401 40.800 0.446 0.000 1.025 1222 D HN 1.231 nan 8.370 nan 0.000 0.419 1223 F N -2.602 117.416 119.950 0.113 0.000 2.662 1223 F HA 0.723 5.249 4.527 -0.001 0.000 0.312 1223 F C 1.221 177.046 175.800 0.042 0.000 1.113 1223 F CA 0.033 58.062 58.000 0.048 0.000 0.951 1223 F CB 0.975 40.027 39.000 0.086 0.000 1.344 1223 F HN 0.216 nan 8.300 nan 0.000 0.462 1224 G N 1.282 110.170 108.800 0.147 0.000 2.596 1224 G HA2 -0.324 3.635 3.960 -0.001 0.000 0.304 1224 G HA3 -0.324 3.635 3.960 -0.001 0.000 0.304 1224 G C 0.511 175.315 174.900 -0.160 0.000 1.189 1224 G CA 0.489 45.549 45.100 -0.067 0.000 0.986 1224 G HN 1.021 nan 8.290 nan 0.000 0.548 1225 L N 1.470 122.531 121.223 -0.271 0.000 2.478 1225 L HA 0.301 4.640 4.340 -0.001 0.000 0.223 1225 L C 3.085 179.884 176.870 -0.119 0.000 1.140 1225 L CA 1.207 55.899 54.840 -0.247 0.000 0.842 1225 L CB -0.356 41.492 42.059 -0.351 0.000 0.953 1225 L HN 0.673 nan 8.230 nan 0.000 0.452 1226 A N 0.255 122.990 122.820 -0.142 0.000 2.218 1226 A HA 0.145 4.465 4.320 -0.001 0.000 0.209 1226 A C 1.584 179.251 177.584 0.139 0.000 1.168 1226 A CA 0.142 52.176 52.037 -0.005 0.000 0.804 1226 A CB -0.563 18.378 19.000 -0.098 0.000 0.834 1226 A HN 0.318 nan 8.150 nan 0.000 0.482 1227 R N 0.635 121.183 120.500 0.080 0.000 2.502 1227 R HA 0.406 4.745 4.340 -0.001 0.000 0.292 1227 R C -0.352 176.039 176.300 0.152 0.000 0.998 1227 R CA 0.794 56.975 56.100 0.136 0.000 1.056 1227 R CB -0.550 29.810 30.300 0.100 0.000 0.939 1227 R HN 0.514 nan 8.270 nan 0.000 0.411 1228 D N 1.156 121.552 120.400 -0.006 0.000 2.725 1228 D HA 0.263 4.903 4.640 -0.001 0.000 0.292 1228 D C -0.958 175.029 176.300 -0.523 0.000 1.288 1228 D CA -0.607 53.197 54.000 -0.327 0.000 0.784 1228 D CB 1.117 41.464 40.800 -0.756 0.000 1.308 1228 D HN 0.475 nan 8.370 nan 0.000 0.429 1229 M N 2.334 121.522 119.600 -0.688 0.000 2.069 1229 M HA 0.233 4.712 4.480 -0.001 0.000 0.349 1229 M C -0.235 175.783 176.300 -0.470 0.000 1.194 1229 M CA -0.325 54.559 55.300 -0.693 0.000 1.081 1229 M CB 0.855 32.899 32.600 -0.927 0.000 1.500 1229 M HN 0.367 nan 8.290 nan 0.000 0.438 1230 Y N -0.408 119.858 120.300 -0.057 0.000 2.510 1230 Y HA 0.112 4.661 4.550 -0.001 0.000 0.273 1230 Y C 0.713 176.649 175.900 0.060 0.000 1.119 1230 Y CA 0.184 58.288 58.100 0.007 0.000 1.286 1230 Y CB 0.481 38.956 38.460 0.026 0.000 1.061 1230 Y HN 0.457 nan 8.280 nan 0.000 0.542 1231 D N -0.245 120.308 120.400 0.255 0.000 2.358 1231 D HA 0.219 4.859 4.640 -0.001 0.000 0.253 1231 D C 0.842 177.322 176.300 0.301 0.000 1.288 1231 D CA 0.077 54.236 54.000 0.265 0.000 0.950 1231 D CB 1.016 42.024 40.800 0.345 0.000 1.197 1231 D HN 0.129 nan 8.370 nan 0.000 0.550 1232 K N 2.513 122.998 120.400 0.141 0.000 2.283 1232 K HA -0.129 4.190 4.320 -0.001 0.000 0.202 1232 K C 1.534 178.216 176.600 0.137 0.000 1.048 1232 K CA 1.472 57.827 56.287 0.113 0.000 0.948 1232 K CB -0.522 31.977 32.500 -0.002 0.000 0.742 1232 K HN 0.612 nan 8.250 nan 0.000 0.458 1233 E N -0.981 119.216 120.200 -0.004 0.000 2.160 1233 E HA -0.180 4.170 4.350 -0.001 0.000 0.195 1233 E C 0.530 176.939 176.600 -0.318 0.000 0.991 1233 E CA 1.277 57.532 56.400 -0.242 0.000 0.810 1233 E CB -0.124 29.280 29.700 -0.493 0.000 0.742 1233 E HN 0.811 nan 8.360 nan 0.000 0.466 1234 Y N -1.256 119.105 120.300 0.102 0.000 2.532 1234 Y HA 0.177 4.726 4.550 -0.001 0.000 0.283 1234 Y C -0.681 175.000 175.900 -0.365 0.000 1.181 1234 Y CA -0.045 58.011 58.100 -0.074 0.000 1.256 1234 Y CB 0.182 38.550 38.460 -0.153 0.000 1.112 1234 Y HN -0.047 nan 8.280 nan 0.000 0.521 1235 Y N -1.028 119.327 120.300 0.092 0.000 2.350 1235 Y HA 0.546 5.095 4.550 -0.001 0.000 0.338 1235 Y C 0.164 176.084 175.900 0.033 0.000 0.961 1235 Y CA -1.016 57.117 58.100 0.053 0.000 1.100 1235 Y CB 1.759 40.219 38.460 0.000 0.000 1.179 1235 Y HN -0.266 nan 8.280 nan 0.000 0.454 1236 S N 2.141 117.932 115.700 0.151 0.000 2.482 1236 S HA 0.511 4.980 4.470 -0.001 0.000 0.303 1236 S C -0.658 174.135 174.600 0.323 0.000 1.091 1236 S CA -0.847 57.454 58.200 0.167 0.000 1.057 1236 S CB 1.417 64.633 63.200 0.027 0.000 1.031 1236 S HN 0.362 nan 8.310 nan 0.000 0.485 1237 V N 4.903 124.989 119.914 0.287 0.000 2.470 1237 V HA 0.129 4.248 4.120 -0.001 0.000 0.276 1237 V C 0.969 177.241 176.094 0.296 0.000 1.040 1237 V CA -0.286 62.165 62.300 0.252 0.000 1.008 1237 V CB -0.048 31.851 31.823 0.127 0.000 0.990 1237 V HN 0.831 nan 8.190 nan 0.000 0.477 1241 T N -1.273 113.432 114.554 0.251 0.000 3.039 1241 T HA 0.453 4.802 4.350 -0.001 0.000 0.250 1241 T C 2.610 177.369 174.700 0.098 0.000 1.052 1241 T CA 2.324 64.476 62.100 0.086 0.000 1.125 1241 T CB 0.073 68.899 68.868 -0.070 0.000 0.908 1241 T HN 1.942 nan 8.240 nan 0.000 0.473 1242 G N 0.537 109.423 108.800 0.143 0.000 2.205 1242 G HA2 0.136 4.095 3.960 -0.001 0.000 0.261 1242 G HA3 0.136 4.095 3.960 -0.001 0.000 0.261 1242 G C 0.566 175.540 174.900 0.125 0.000 0.980 1242 G CA 0.467 45.633 45.100 0.111 0.000 0.632 1242 G HN 1.535 nan 8.290 nan 0.000 0.533 1243 A N 0.194 123.102 122.820 0.146 0.000 2.498 1243 A HA 0.549 4.868 4.320 -0.001 0.000 0.239 1243 A C 0.575 178.281 177.584 0.203 0.000 1.068 1243 A CA 0.619 52.745 52.037 0.149 0.000 0.766 1243 A CB 0.260 19.345 19.000 0.140 0.000 1.003 1243 A HN 0.434 nan 8.150 nan 0.000 0.497 1244 K N 1.976 122.468 120.400 0.153 0.000 2.264 1244 K HA 0.505 4.825 4.320 -0.001 0.000 0.277 1244 K C -1.250 175.516 176.600 0.278 0.000 1.067 1244 K CA 0.164 56.559 56.287 0.180 0.000 0.900 1244 K CB 0.816 33.339 32.500 0.039 0.000 1.124 1244 K HN 0.579 nan 8.250 nan 0.000 0.469 1245 L N 4.885 126.299 121.223 0.318 0.000 2.365 1245 L HA 0.404 4.744 4.340 -0.001 0.000 0.273 1245 L C -2.089 174.873 176.870 0.153 0.000 1.000 1245 L CA -2.245 52.771 54.840 0.294 0.000 0.819 1245 L CB 1.976 44.216 42.059 0.301 0.000 1.284 1245 L HN 0.430 nan 8.230 nan 0.000 0.418 1246 P HA 0.015 nan 4.420 nan 0.000 0.225 1246 P C 1.056 178.430 177.300 0.122 0.000 1.813 1246 P CA -0.225 62.806 63.100 -0.116 0.000 1.013 1246 P CB 0.232 31.822 31.700 -0.184 0.000 1.961 1247 V N 0.591 120.492 119.914 -0.022 0.000 2.380 1247 V HA -0.253 3.866 4.120 -0.001 0.000 0.251 1247 V C 1.865 177.920 176.094 -0.064 0.000 1.063 1247 V CA 1.482 63.695 62.300 -0.144 0.000 1.055 1247 V CB -1.418 30.103 31.823 -0.503 0.000 0.657 1247 V HN 0.162 nan 8.190 nan 0.000 0.455 1248 K N -1.184 119.248 120.400 0.053 0.000 2.504 1248 K HA 0.015 4.334 4.320 -0.001 0.000 0.195 1248 K C 1.609 178.121 176.600 -0.147 0.000 1.036 1248 K CA 1.109 57.343 56.287 -0.088 0.000 0.984 1248 K CB -0.107 32.302 32.500 -0.152 0.000 0.788 1248 K HN 0.681 nan 8.250 nan 0.000 0.488 1249 W N 0.201 121.553 121.300 0.087 0.000 3.103 1249 W HA 0.255 4.914 4.660 -0.001 0.000 0.325 1249 W C 0.158 176.816 176.519 0.231 0.000 1.170 1249 W CA -0.423 57.044 57.345 0.203 0.000 1.712 1249 W CB 0.317 29.868 29.460 0.151 0.000 1.068 1249 W HN -0.024 nan 8.180 nan 0.000 0.592 1250 M N 0.638 120.358 119.600 0.200 0.000 2.249 1250 M HA 0.381 4.860 4.480 -0.001 0.000 0.351 1250 M C 0.639 176.542 176.300 -0.662 0.000 1.180 1250 M CA -0.218 55.053 55.300 -0.049 0.000 1.127 1250 M CB 1.237 33.813 32.600 -0.039 0.000 1.546 1250 M HN -0.261 nan 8.290 nan 0.000 0.461 1251 A N 2.871 125.201 122.820 -0.818 0.000 2.445 1251 A HA 0.214 4.533 4.320 -0.001 0.000 0.242 1251 A C 1.075 178.067 177.584 -0.988 0.000 1.075 1251 A CA -0.346 50.846 52.037 -1.407 0.000 0.777 1251 A CB 0.136 18.823 19.000 -0.522 0.000 1.013 1251 A HN 1.054 nan 8.150 nan 0.000 0.493 1252 L N 0.754 121.318 121.223 -1.099 0.000 2.021 1252 L HA -0.264 4.075 4.340 -0.001 0.000 0.215 1252 L C 2.864 179.544 176.870 -0.317 0.000 1.074 1252 L CA 2.175 56.701 54.840 -0.524 0.000 0.760 1252 L CB -0.426 41.446 42.059 -0.311 0.000 0.889 1252 L HN 0.994 nan 8.230 nan 0.000 0.433 1253 E N -0.592 119.444 120.200 -0.273 0.000 2.150 1253 E HA -0.172 4.178 4.350 -0.001 0.000 0.193 1253 E C 2.012 178.472 176.600 -0.234 0.000 0.985 1253 E CA 1.699 57.986 56.400 -0.188 0.000 0.814 1253 E CB -0.380 29.246 29.700 -0.124 0.000 0.752 1253 E HN 0.403 nan 8.360 nan 0.000 0.466 1254 S N 1.145 116.644 115.700 -0.335 0.000 2.387 1254 S HA 0.032 4.501 4.470 -0.001 0.000 0.226 1254 S C 2.131 176.530 174.600 -0.335 0.000 1.026 1254 S CA 0.790 58.707 58.200 -0.470 0.000 0.972 1254 S CB -0.245 62.540 63.200 -0.691 0.000 0.814 1254 S HN 0.203 nan 8.310 nan 0.000 0.477 1255 L N 1.136 122.214 121.223 -0.241 0.000 2.131 1255 L HA -0.160 4.179 4.340 -0.001 0.000 0.210 1255 L C 2.603 179.468 176.870 -0.008 0.000 1.092 1255 L CA 1.177 55.972 54.840 -0.074 0.000 0.759 1255 L CB -0.408 41.595 42.059 -0.094 0.000 0.903 1255 L HN 0.350 nan 8.230 nan 0.000 0.435 1256 Q N -1.075 118.679 119.800 -0.078 0.000 2.123 1256 Q HA -0.099 4.240 4.340 -0.001 0.000 0.196 1256 Q C 2.122 178.085 176.000 -0.060 0.000 0.958 1256 Q CA 1.853 57.628 55.803 -0.046 0.000 0.841 1256 Q CB 0.102 28.803 28.738 -0.061 0.000 0.915 1256 Q HN 0.576 nan 8.270 nan 0.000 0.455 1257 T N -3.789 110.700 114.554 -0.109 0.000 2.990 1257 T HA 0.115 4.464 4.350 -0.001 0.000 0.250 1257 T C 0.645 175.264 174.700 -0.135 0.000 1.041 1257 T CA -0.025 62.011 62.100 -0.107 0.000 1.010 1257 T CB 0.364 69.170 68.868 -0.102 0.000 1.003 1257 T HN 0.190 nan 8.240 nan 0.000 0.499 1258 Q N 0.049 119.730 119.800 -0.198 0.000 2.452 1258 Q HA -0.172 4.168 4.340 -0.001 0.000 0.248 1258 Q C 0.238 176.113 176.000 -0.209 0.000 0.874 1258 Q CA 1.108 56.784 55.803 -0.211 0.000 1.208 1258 Q CB -2.162 26.525 28.738 -0.086 0.000 1.569 1258 Q HN 0.887 nan 8.270 nan 0.000 0.579 1259 K N 0.492 120.736 120.400 -0.261 0.000 2.143 1259 K HA 0.678 4.997 4.320 -0.001 0.000 0.272 1259 K C -0.680 175.705 176.600 -0.357 0.000 1.001 1259 K CA 0.101 56.302 56.287 -0.143 0.000 0.915 1259 K CB 0.606 33.063 32.500 -0.072 0.000 1.047 1259 K HN 0.157 nan 8.250 nan 0.000 0.458 1260 F N 0.694 120.644 119.950 0.000 0.000 2.520 1260 F HA 0.625 5.151 4.527 -0.001 0.000 0.322 1260 F C 0.892 176.698 175.800 0.009 0.000 1.103 1260 F CA -0.305 57.702 58.000 0.013 0.000 0.926 1260 F CB 3.016 42.026 39.000 0.018 0.000 1.154 1260 F HN 0.746 nan 8.300 nan 0.000 0.453 1261 T N -2.604 112.058 114.554 0.180 0.000 2.838 1261 T HA 0.289 4.638 4.350 -0.001 0.000 0.292 1261 T C 0.597 175.385 174.700 0.146 0.000 1.113 1261 T CA -0.612 61.558 62.100 0.117 0.000 1.008 1261 T CB 1.453 70.361 68.868 0.066 0.000 1.259 1261 T HN 0.409 nan 8.240 nan 0.000 0.520 1262 T N 0.872 115.497 114.554 0.119 0.000 2.803 1262 T HA -0.062 4.287 4.350 -0.001 0.000 0.269 1262 T C 1.753 176.540 174.700 0.146 0.000 1.052 1262 T CA 1.032 63.234 62.100 0.169 0.000 1.136 1262 T CB -0.265 68.691 68.868 0.145 0.000 0.864 1262 T HN 0.459 nan 8.240 nan 0.000 0.467 1263 K N 1.531 121.983 120.400 0.087 0.000 2.217 1263 K HA 0.037 4.356 4.320 -0.001 0.000 0.202 1263 K C 2.670 179.361 176.600 0.152 0.000 1.051 1263 K CA 1.133 57.460 56.287 0.065 0.000 0.952 1263 K CB -0.541 31.983 32.500 0.042 0.000 0.736 1263 K HN 0.552 nan 8.250 nan 0.000 0.453 1264 S N 0.817 116.620 115.700 0.172 0.000 2.436 1264 S HA -0.074 4.395 4.470 -0.001 0.000 0.228 1264 S C 1.422 176.235 174.600 0.355 0.000 1.014 1264 S CA 0.734 59.071 58.200 0.228 0.000 0.950 1264 S CB -0.044 63.220 63.200 0.107 0.000 0.784 1264 S HN 0.095 nan 8.310 nan 0.000 0.504 1265 D N 1.869 122.481 120.400 0.354 0.000 2.144 1265 D HA -0.034 4.606 4.640 -0.001 0.000 0.199 1265 D C 2.068 178.679 176.300 0.518 0.000 0.984 1265 D CA 0.911 55.187 54.000 0.460 0.000 0.834 1265 D CB -0.464 40.636 40.800 0.501 0.000 0.955 1265 D HN 0.326 nan 8.370 nan 0.000 0.465 1266 V N 0.849 120.908 119.914 0.242 0.000 2.343 1266 V HA -0.204 3.915 4.120 -0.001 0.000 0.247 1266 V C 2.190 178.461 176.094 0.295 0.000 1.051 1266 V CA 1.251 63.546 62.300 -0.008 0.000 1.036 1266 V CB -0.466 31.172 31.823 -0.309 0.000 0.654 1266 V HN 0.378 nan 8.190 nan 0.000 0.451 1267 W N 1.318 122.747 121.300 0.215 0.000 2.333 1267 W HA -0.231 4.428 4.660 -0.001 0.000 0.316 1267 W C 2.589 179.381 176.519 0.455 0.000 1.215 1267 W CA 2.326 59.888 57.345 0.360 0.000 1.278 1267 W CB -0.717 28.929 29.460 0.310 0.000 1.154 1267 W HN 0.335 nan 8.180 nan 0.000 0.486 1268 S N 0.670 116.842 115.700 0.787 0.000 2.383 1268 S HA -0.255 4.215 4.470 -0.001 0.000 0.229 1268 S C 1.578 176.535 174.600 0.595 0.000 1.030 1268 S CA 1.674 60.299 58.200 0.708 0.000 1.002 1268 S CB -1.117 62.444 63.200 0.601 0.000 0.829 1268 S HN 0.328 nan 8.310 nan 0.000 0.467 1269 F N 2.636 122.828 119.950 0.404 0.000 2.161 1269 F HA -0.031 4.495 4.527 -0.001 0.000 0.300 1269 F C 2.231 178.163 175.800 0.219 0.000 1.089 1269 F CA 1.162 59.355 58.000 0.322 0.000 1.282 1269 F CB -0.961 38.275 39.000 0.394 0.000 1.010 1269 F HN 0.206 nan 8.300 nan 0.000 0.485 1270 G N -0.093 108.740 108.800 0.055 0.000 2.418 1270 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.217 1270 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.217 1270 G C 1.729 176.735 174.900 0.176 0.000 1.158 1270 G CA 1.210 46.154 45.100 -0.259 0.000 0.771 1270 G HN 0.340 nan 8.290 nan 0.000 0.545 1271 V N 0.828 121.030 119.914 0.480 0.000 2.427 1271 V HA -0.108 4.011 4.120 -0.001 0.000 0.248 1271 V C 2.662 178.940 176.094 0.306 0.000 1.051 1271 V CA 1.544 64.051 62.300 0.346 0.000 1.048 1271 V CB -0.436 31.397 31.823 0.018 0.000 0.666 1271 V HN 0.398 nan 8.190 nan 0.000 0.456 1272 L N -0.590 120.794 121.223 0.268 0.000 2.046 1272 L HA -0.175 4.164 4.340 -0.001 0.000 0.208 1272 L C 2.347 179.242 176.870 0.041 0.000 1.077 1272 L CA 1.675 56.633 54.840 0.198 0.000 0.747 1272 L CB -0.196 41.951 42.059 0.145 0.000 0.896 1272 L HN 0.232 nan 8.230 nan 0.000 0.432 1273 L N -1.540 119.581 121.223 -0.170 0.000 2.042 1273 L HA -0.276 4.064 4.340 -0.001 0.000 0.210 1273 L C 2.355 179.253 176.870 0.047 0.000 1.076 1273 L CA 1.870 56.617 54.840 -0.154 0.000 0.749 1273 L CB -0.693 41.179 42.059 -0.311 0.000 0.893 1273 L HN 0.525 nan 8.230 nan 0.000 0.432 1274 W N 1.309 122.607 121.300 -0.003 0.000 2.358 1274 W HA -0.180 4.479 4.660 -0.001 0.000 0.303 1274 W C 2.437 178.971 176.519 0.024 0.000 1.208 1274 W CA 1.590 58.969 57.345 0.057 0.000 1.274 1274 W CB 0.018 29.558 29.460 0.132 0.000 1.138 1274 W HN 0.090 nan 8.180 nan 0.000 0.515 1275 E N 0.223 120.586 120.200 0.272 0.000 2.058 1275 E HA -0.278 4.072 4.350 -0.001 0.000 0.194 1275 E C 2.191 178.786 176.600 -0.008 0.000 0.997 1275 E CA 1.830 58.310 56.400 0.134 0.000 0.801 1275 E CB -0.765 29.090 29.700 0.259 0.000 0.746 1275 E HN 0.350 nan 8.360 nan 0.000 0.450 1276 L N 0.263 121.504 121.223 0.030 0.000 2.042 1276 L HA -0.206 4.133 4.340 -0.001 0.000 0.210 1276 L C 2.455 179.299 176.870 -0.042 0.000 1.076 1276 L CA 0.802 55.663 54.840 0.036 0.000 0.749 1276 L CB -0.249 41.852 42.059 0.069 0.000 0.893 1276 L HN 0.235 nan 8.230 nan 0.000 0.432 1277 M N -0.926 118.602 119.600 -0.120 0.000 2.492 1277 M HA -0.043 4.436 4.480 -0.001 0.000 0.262 1277 M C 2.073 178.231 176.300 -0.236 0.000 1.090 1277 M CA 1.342 56.550 55.300 -0.153 0.000 1.110 1277 M CB -1.331 31.184 32.600 -0.142 0.000 1.407 1277 M HN 0.353 nan 8.290 nan 0.000 0.470 1278 T N -3.224 111.098 114.554 -0.387 0.000 3.122 1278 T HA 0.240 4.589 4.350 -0.001 0.000 0.250 1278 T C 0.712 175.290 174.700 -0.203 0.000 1.067 1278 T CA -0.349 61.506 62.100 -0.408 0.000 0.966 1278 T CB -0.160 68.226 68.868 -0.804 0.000 1.002 1278 T HN 0.391 nan 8.240 nan 0.000 0.542 1279 R N 0.811 121.242 120.500 -0.115 0.000 3.322 1279 R HA -0.168 4.171 4.340 -0.001 0.000 0.253 1279 R C 1.055 177.346 176.300 -0.016 0.000 0.987 1279 R CA 0.495 56.575 56.100 -0.034 0.000 0.666 1279 R CB -2.145 28.141 30.300 -0.024 0.000 1.072 1279 R HN 0.951 nan 8.270 nan 0.000 0.447 1280 G N -1.935 106.858 108.800 -0.013 0.000 2.132 1280 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.228 1280 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.228 1280 G C 0.239 175.175 174.900 0.060 0.000 1.000 1280 G CA 0.096 45.224 45.100 0.047 0.000 0.693 1280 G HN 0.849 nan 8.290 nan 0.000 0.515 1281 A N 0.737 123.554 122.820 -0.006 0.000 2.483 1281 A HA 0.619 4.938 4.320 -0.001 0.000 0.238 1281 A C -1.113 176.615 177.584 0.240 0.000 1.070 1281 A CA -0.347 51.731 52.037 0.069 0.000 0.770 1281 A CB 0.218 19.190 19.000 -0.046 0.000 1.008 1281 A HN 0.313 nan 8.150 nan 0.000 0.497 1282 P HA 0.256 nan 4.420 nan 0.000 0.276 1282 P C -2.712 174.676 177.300 0.148 0.000 1.235 1282 P CA -1.208 62.027 63.100 0.224 0.000 0.772 1282 P CB 0.427 32.294 31.700 0.279 0.000 0.871 1283 P HA 0.082 nan 4.420 nan 0.000 0.275 1283 P C -0.574 176.432 177.300 -0.490 0.000 1.228 1283 P CA -0.220 62.454 63.100 -0.710 0.000 0.786 1283 P CB 0.091 31.123 31.700 -1.112 0.000 0.927 1284 Y N 0.309 120.324 120.300 -0.476 0.000 3.001 1284 Y HA -0.172 4.377 4.550 -0.001 0.000 0.199 1284 Y C -1.062 174.678 175.900 -0.268 0.000 1.320 1284 Y CA -0.090 57.746 58.100 -0.439 0.000 0.974 1284 Y CB -2.620 35.495 38.460 -0.576 0.000 1.291 1284 Y HN 0.441 nan 8.280 nan 0.000 0.465 1285 P HA -0.119 nan 4.420 nan 0.000 0.219 1285 P C 0.735 178.027 177.300 -0.014 0.000 1.150 1285 P CA 1.582 64.688 63.100 0.009 0.000 0.814 1285 P CB 0.369 32.095 31.700 0.042 0.000 0.787 1286 D N -0.520 119.854 120.400 -0.043 0.000 2.336 1286 D HA 0.106 4.745 4.640 -0.001 0.000 0.228 1286 D C 0.130 176.379 176.300 -0.085 0.000 1.120 1286 D CA 0.103 54.081 54.000 -0.037 0.000 0.839 1286 D CB 0.211 41.010 40.800 -0.001 0.000 0.932 1286 D HN 0.044 nan 8.370 nan 0.000 0.509 1287 V N 1.077 120.894 119.914 -0.160 0.000 2.483 1287 V HA 0.294 4.413 4.120 -0.001 0.000 0.295 1287 V C 0.107 176.127 176.094 -0.123 0.000 1.035 1287 V CA -0.986 61.186 62.300 -0.213 0.000 0.896 1287 V CB 1.823 33.358 31.823 -0.482 0.000 0.986 1287 V HN -0.104 nan 8.190 nan 0.000 0.447 1288 N N 3.401 122.053 118.700 -0.080 0.000 2.426 1288 N HA 0.480 5.219 4.740 -0.001 0.000 0.257 1288 N C 0.687 176.171 175.510 -0.044 0.000 1.002 1288 N CA 0.733 53.757 53.050 -0.043 0.000 0.942 1288 N CB 1.242 39.722 38.487 -0.011 0.000 1.112 1288 N HN 1.102 nan 8.380 nan 0.000 0.499 1289 T N -0.278 114.241 114.554 -0.058 0.000 13.920 1289 T HA -0.385 3.964 4.350 -0.001 0.000 0.417 1289 T C 1.084 175.690 174.700 -0.157 0.000 1.442 1289 T CA 1.185 63.234 62.100 -0.085 0.000 2.330 1289 T CB -1.287 67.607 68.868 0.043 0.000 2.759 1289 T HN 0.293 nan 8.240 nan 0.000 0.364 1290 F N 2.578 122.503 119.950 -0.042 0.000 2.771 1290 F HA 0.244 4.770 4.527 -0.001 0.000 0.299 1290 F C 2.307 178.068 175.800 -0.065 0.000 1.177 1290 F CA 0.865 58.834 58.000 -0.051 0.000 1.450 1290 F CB -0.425 38.545 39.000 -0.051 0.000 1.114 1290 F HN 0.529 nan 8.300 nan 0.000 0.587 1291 D N 0.083 120.523 120.400 0.066 0.000 2.378 1291 D HA -0.128 4.512 4.640 -0.001 0.000 0.227 1291 D C 2.149 178.433 176.300 -0.027 0.000 1.012 1291 D CA 0.392 54.406 54.000 0.024 0.000 0.905 1291 D CB -0.155 40.652 40.800 0.012 0.000 0.895 1291 D HN 0.216 nan 8.370 nan 0.000 0.532 1292 I N -0.144 120.358 120.570 -0.112 0.000 2.286 1292 I HA -0.222 3.947 4.170 -0.001 0.000 0.248 1292 I C 1.950 177.991 176.117 -0.127 0.000 1.115 1292 I CA 1.397 62.560 61.300 -0.228 0.000 1.392 1292 I CB -0.527 37.229 38.000 -0.407 0.000 1.065 1292 I HN -0.059 nan 8.210 nan 0.000 0.418 1293 T N -0.176 114.337 114.554 -0.069 0.000 2.684 1293 T HA -0.161 4.188 4.350 -0.001 0.000 0.267 1293 T C 2.046 176.737 174.700 -0.016 0.000 1.036 1293 T CA 1.887 63.961 62.100 -0.044 0.000 1.148 1293 T CB -0.497 68.370 68.868 -0.003 0.000 0.863 1293 T HN 0.199 nan 8.240 nan 0.000 0.436 1294 V N 0.419 120.338 119.914 0.008 0.000 2.255 1294 V HA -0.209 3.910 4.120 -0.001 0.000 0.247 1294 V C 1.997 178.105 176.094 0.023 0.000 1.051 1294 V CA 1.846 64.154 62.300 0.015 0.000 1.018 1294 V CB -0.746 31.092 31.823 0.025 0.000 0.641 1294 V HN 0.497 nan 8.190 nan 0.000 0.445 1295 Y N 0.341 120.584 120.300 -0.095 0.000 2.081 1295 Y HA -0.279 4.270 4.550 -0.001 0.000 0.280 1295 Y C 2.270 178.109 175.900 -0.101 0.000 1.163 1295 Y CA 1.954 59.990 58.100 -0.107 0.000 1.135 1295 Y CB -0.266 38.094 38.460 -0.166 0.000 0.970 1295 Y HN 0.136 nan 8.280 nan 0.000 0.498 1296 L N -0.568 120.667 121.223 0.019 0.000 2.046 1296 L HA -0.243 4.096 4.340 -0.001 0.000 0.208 1296 L C 2.289 179.131 176.870 -0.047 0.000 1.077 1296 L CA 1.163 55.992 54.840 -0.019 0.000 0.747 1296 L CB -0.550 41.520 42.059 0.019 0.000 0.896 1296 L HN 0.285 nan 8.230 nan 0.000 0.432 1297 L N -0.706 120.492 121.223 -0.042 0.000 2.465 1297 L HA -0.139 4.200 4.340 -0.001 0.000 0.224 1297 L C 2.255 179.090 176.870 -0.058 0.000 1.145 1297 L CA 0.522 55.341 54.840 -0.036 0.000 0.834 1297 L CB -0.299 41.745 42.059 -0.025 0.000 0.944 1297 L HN 0.356 nan 8.230 nan 0.000 0.451 1298 Q N 0.136 119.875 119.800 -0.102 0.000 2.436 1298 Q HA 0.015 4.354 4.340 -0.001 0.000 0.209 1298 Q C 1.101 177.029 176.000 -0.120 0.000 0.965 1298 Q CA 0.649 56.380 55.803 -0.120 0.000 0.910 1298 Q CB 0.208 28.840 28.738 -0.176 0.000 0.980 1298 Q HN 0.558 nan 8.270 nan 0.000 0.491 1299 G N 1.067 109.800 108.800 -0.112 0.000 2.226 1299 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.176 1299 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.176 1299 G C -0.524 174.312 174.900 -0.107 0.000 1.042 1299 G CA -0.576 44.475 45.100 -0.082 0.000 0.732 1299 G HN 0.114 nan 8.290 nan 0.000 0.494 1300 R N -0.425 119.982 120.500 -0.154 0.000 2.711 1300 R HA 0.863 5.202 4.340 -0.001 0.000 0.284 1300 R C -0.114 176.145 176.300 -0.069 0.000 0.968 1300 R CA -0.953 55.034 56.100 -0.189 0.000 0.924 1300 R CB 1.510 31.481 30.300 -0.549 0.000 1.162 1300 R HN 0.146 nan 8.270 nan 0.000 0.465 1301 R N 1.366 121.852 120.500 -0.023 0.000 2.774 1301 R HA 0.375 4.714 4.340 -0.001 0.000 0.272 1301 R C -0.642 175.609 176.300 -0.081 0.000 1.000 1301 R CA -1.165 54.883 56.100 -0.087 0.000 0.906 1301 R CB 1.077 31.372 30.300 -0.009 0.000 1.227 1301 R HN 0.451 nan 8.270 nan 0.000 0.468 1302 L N 2.363 123.329 121.223 -0.428 0.000 2.559 1302 L HA 0.033 4.372 4.340 -0.001 0.000 0.282 1302 L C 0.635 177.543 176.870 0.063 0.000 1.232 1302 L CA 0.341 54.860 54.840 -0.536 0.000 0.885 1302 L CB -0.056 41.185 42.059 -1.364 0.000 1.131 1302 L HN 0.253 nan 8.230 nan 0.000 0.498 1303 L N 2.857 124.166 121.223 0.143 0.000 2.464 1303 L HA 0.132 4.471 4.340 -0.001 0.000 0.264 1303 L C 0.609 177.610 176.870 0.217 0.000 1.199 1303 L CA -0.213 54.752 54.840 0.207 0.000 0.818 1303 L CB 0.257 42.390 42.059 0.123 0.000 1.102 1303 L HN 0.627 nan 8.230 nan 0.000 0.473 1304 Q N 2.529 122.102 119.800 -0.378 0.000 2.262 1304 Q HA 0.175 4.514 4.340 -0.001 0.000 0.272 1304 Q C -2.205 173.653 176.000 -0.237 0.000 1.076 1304 Q CA -1.510 53.888 55.803 -0.675 0.000 0.905 1304 Q CB 0.796 28.810 28.738 -1.207 0.000 1.182 1304 Q HN 0.271 nan 8.270 nan 0.000 0.390 1305 P HA -0.057 nan 4.420 nan 0.000 0.269 1305 P C 0.026 177.198 177.300 -0.213 0.000 1.215 1305 P CA 0.000 62.968 63.100 -0.221 0.000 0.780 1305 P CB 0.680 32.180 31.700 -0.334 0.000 0.898 1306 E N 0.881 120.927 120.200 -0.256 0.000 2.097 1306 E HA -0.236 4.113 4.350 -0.001 0.000 0.196 1306 E C 0.474 176.796 176.600 -0.463 0.000 1.000 1306 E CA 1.478 57.631 56.400 -0.410 0.000 0.804 1306 E CB -0.222 29.121 29.700 -0.595 0.000 0.740 1306 E HN 0.549 nan 8.360 nan 0.000 0.454 1307 Y N -0.962 119.291 120.300 -0.079 0.000 2.468 1307 Y HA 0.159 4.708 4.550 -0.001 0.000 0.268 1307 Y C 0.548 176.426 175.900 -0.037 0.000 1.177 1307 Y CA -0.801 57.270 58.100 -0.048 0.000 1.265 1307 Y CB 0.459 38.886 38.460 -0.056 0.000 1.103 1307 Y HN 0.065 nan 8.280 nan 0.000 0.522 1308 C N 4.125 123.441 119.300 0.027 0.000 2.624 1308 C HA 0.264 4.723 4.460 -0.001 0.000 0.397 1308 C C -2.025 173.011 174.990 0.076 0.000 1.331 1308 C CA -2.280 56.758 59.018 0.033 0.000 1.716 1308 C CB -0.479 27.260 27.740 -0.001 0.000 2.452 1308 C HN 0.182 nan 8.230 nan 0.000 0.586 1309 P HA 0.115 nan 4.420 nan 0.000 0.268 1309 P C 0.476 177.857 177.300 0.135 0.000 1.205 1309 P CA 0.288 63.495 63.100 0.178 0.000 0.771 1309 P CB 0.586 32.459 31.700 0.288 0.000 0.858 1310 D N 4.399 124.862 120.400 0.105 0.000 2.126 1310 D HA -0.175 4.464 4.640 -0.001 0.000 0.190 1310 D C -0.536 175.839 176.300 0.125 0.000 1.001 1310 D CA 2.050 56.117 54.000 0.112 0.000 0.841 1310 D CB -1.887 38.957 40.800 0.073 0.000 0.949 1310 D HN 0.443 nan 8.370 nan 0.000 0.446 1311 P HA -0.103 nan 4.420 nan 0.000 0.218 1311 P C 1.855 179.198 177.300 0.072 0.000 1.149 1311 P CA 0.715 63.860 63.100 0.074 0.000 0.817 1311 P CB 0.079 31.822 31.700 0.072 0.000 0.785 1312 L N -1.487 119.798 121.223 0.103 0.000 2.156 1312 L HA -0.089 4.250 4.340 -0.001 0.000 0.208 1312 L C 2.642 179.549 176.870 0.062 0.000 1.095 1312 L CA 1.502 56.389 54.840 0.077 0.000 0.770 1312 L CB -1.491 40.620 42.059 0.088 0.000 0.914 1312 L HN -0.178 nan 8.230 nan 0.000 0.439 1313 Y N 0.673 120.959 120.300 -0.023 0.000 2.200 1313 Y HA -0.215 4.334 4.550 -0.001 0.000 0.290 1313 Y C 2.360 178.208 175.900 -0.086 0.000 1.137 1313 Y CA 1.925 60.001 58.100 -0.039 0.000 1.163 1313 Y CB -0.153 38.317 38.460 0.015 0.000 0.988 1313 Y HN 0.357 nan 8.280 nan 0.000 0.518 1314 E N -0.889 119.269 120.200 -0.071 0.000 2.085 1314 E HA -0.209 4.140 4.350 -0.001 0.000 0.194 1314 E C 2.259 178.731 176.600 -0.213 0.000 0.994 1314 E CA 1.690 57.999 56.400 -0.151 0.000 0.801 1314 E CB -0.323 29.351 29.700 -0.044 0.000 0.743 1314 E HN 0.296 nan 8.360 nan 0.000 0.453 1315 V N 1.216 121.033 119.914 -0.162 0.000 2.332 1315 V HA -0.317 3.803 4.120 -0.001 0.000 0.248 1315 V C 2.266 178.138 176.094 -0.370 0.000 1.055 1315 V CA 1.860 64.053 62.300 -0.178 0.000 1.038 1315 V CB -0.414 31.367 31.823 -0.070 0.000 0.651 1315 V HN 0.330 nan 8.190 nan 0.000 0.450 1316 M N -0.824 118.453 119.600 -0.537 0.000 2.080 1316 M HA -0.190 4.290 4.480 -0.001 0.000 0.260 1316 M C 2.181 177.638 176.300 -1.404 0.000 1.068 1316 M CA 1.967 56.613 55.300 -1.090 0.000 1.109 1316 M CB -0.541 31.413 32.600 -1.077 0.000 1.342 1316 M HN 0.260 nan 8.290 nan 0.000 0.405 1317 L N -0.171 120.515 121.223 -0.896 0.000 2.083 1317 L HA -0.210 4.129 4.340 -0.001 0.000 0.209 1317 L C 2.429 179.088 176.870 -0.352 0.000 1.083 1317 L CA 1.271 55.794 54.840 -0.529 0.000 0.752 1317 L CB -0.662 41.145 42.059 -0.419 0.000 0.899 1317 L HN 0.302 nan 8.230 nan 0.000 0.433 1318 K N -0.540 119.669 120.400 -0.318 0.000 2.057 1318 K HA -0.150 4.169 4.320 -0.001 0.000 0.207 1318 K C 2.175 178.670 176.600 -0.176 0.000 1.049 1318 K CA 1.563 57.755 56.287 -0.158 0.000 0.931 1318 K CB -0.347 32.080 32.500 -0.122 0.000 0.714 1318 K HN 0.352 nan 8.250 nan 0.000 0.440 1319 C N -0.096 118.976 119.300 -0.379 0.000 2.419 1319 C HA -0.094 4.365 4.460 -0.001 0.000 0.281 1319 C C 1.465 176.284 174.990 -0.286 0.000 1.336 1319 C CA 0.150 58.956 59.018 -0.354 0.000 1.770 1319 C CB -0.810 26.630 27.740 -0.500 0.000 1.929 1319 C HN 0.571 nan 8.230 nan 0.000 0.509 1320 W N 0.035 121.089 121.300 -0.411 0.000 3.194 1320 W HA 0.284 4.943 4.660 -0.001 0.000 0.408 1320 W C 0.930 177.309 176.519 -0.234 0.000 1.072 1320 W CA -0.812 56.051 57.345 -0.804 0.000 1.953 1320 W CB -1.638 27.124 29.460 -1.164 0.000 1.091 1320 W HN 0.424 nan 8.180 nan 0.000 0.699 1321 H N 2.801 121.904 119.070 0.055 0.000 3.094 1321 H HA -0.024 4.531 4.556 -0.001 0.000 0.320 1321 H C -1.360 174.108 175.328 0.233 0.000 1.000 1321 H CA -0.326 55.783 56.048 0.102 0.000 1.413 1321 H CB 1.234 31.024 29.762 0.047 0.000 1.405 1321 H HN -0.135 nan 8.280 nan 0.000 0.586 1322 P HA -0.089 nan 4.420 nan 0.000 0.219 1322 P C -0.292 177.201 177.300 0.322 0.000 1.146 1322 P CA 1.537 64.826 63.100 0.315 0.000 0.808 1322 P CB 0.280 32.073 31.700 0.155 0.000 0.779 1323 K N -0.284 120.396 120.400 0.467 0.000 2.264 1323 K HA 0.434 4.753 4.320 -0.001 0.000 0.277 1323 K C 1.149 177.792 176.600 0.071 0.000 1.067 1323 K CA -0.308 56.085 56.287 0.177 0.000 0.900 1323 K CB 1.026 33.564 32.500 0.062 0.000 1.124 1323 K HN -0.135 nan 8.250 nan 0.000 0.469 1324 A N 3.642 126.510 122.820 0.079 0.000 1.927 1324 A HA -0.245 4.074 4.320 -0.001 0.000 0.220 1324 A C 1.913 179.491 177.584 -0.010 0.000 1.185 1324 A CA 1.900 53.975 52.037 0.064 0.000 0.639 1324 A CB -0.323 18.705 19.000 0.047 0.000 0.820 1324 A HN 0.877 nan 8.150 nan 0.000 0.451 1325 E N -0.697 119.476 120.200 -0.045 0.000 2.347 1325 E HA -0.123 4.226 4.350 -0.001 0.000 0.196 1325 E C 1.419 177.940 176.600 -0.132 0.000 1.008 1325 E CA 0.919 57.277 56.400 -0.070 0.000 0.852 1325 E CB -0.383 29.285 29.700 -0.053 0.000 0.783 1325 E HN 0.553 nan 8.360 nan 0.000 0.505 1326 M N 0.971 120.423 119.600 -0.247 0.000 2.556 1326 M HA 0.160 4.639 4.480 -0.001 0.000 0.245 1326 M C 0.630 176.751 176.300 -0.298 0.000 1.128 1326 M CA 0.178 55.236 55.300 -0.403 0.000 1.069 1326 M CB -0.233 31.802 32.600 -0.942 0.000 1.469 1326 M HN -0.052 nan 8.290 nan 0.000 0.494 1327 R N 1.769 122.172 120.500 -0.162 0.000 2.594 1327 R HA 0.177 4.516 4.340 -0.001 0.000 0.272 1327 R C -2.126 174.106 176.300 -0.113 0.000 1.074 1327 R CA -1.382 54.671 56.100 -0.078 0.000 1.105 1327 R CB -0.302 29.990 30.300 -0.014 0.000 1.008 1327 R HN 0.029 nan 8.270 nan 0.000 0.472 1328 P HA -0.045 nan 4.420 nan 0.000 0.269 1328 P C -0.380 176.797 177.300 -0.204 0.000 1.209 1328 P CA -0.124 62.895 63.100 -0.135 0.000 0.776 1328 P CB 0.742 32.369 31.700 -0.122 0.000 0.876 1329 S N 1.205 116.809 115.700 -0.161 0.000 2.608 1329 S HA 0.142 4.612 4.470 -0.001 0.000 0.261 1329 S C 1.010 175.475 174.600 -0.226 0.000 1.314 1329 S CA -0.204 57.892 58.200 -0.173 0.000 0.992 1329 S CB -0.165 62.993 63.200 -0.069 0.000 0.935 1329 S HN 0.228 nan 8.310 nan 0.000 0.564 1330 F N 0.732 120.613 119.950 -0.116 0.000 2.234 1330 F HA 0.004 4.530 4.527 -0.001 0.000 0.299 1330 F C 3.001 178.711 175.800 -0.150 0.000 1.087 1330 F CA 1.300 59.187 58.000 -0.189 0.000 1.340 1330 F CB -0.903 37.966 39.000 -0.218 0.000 1.031 1330 F HN 0.724 nan 8.300 nan 0.000 0.500 1331 S N -0.254 115.481 115.700 0.059 0.000 2.356 1331 S HA -0.263 4.206 4.470 -0.001 0.000 0.223 1331 S C 2.196 176.796 174.600 0.001 0.000 1.032 1331 S CA 1.733 59.944 58.200 0.019 0.000 1.005 1331 S CB -0.393 62.812 63.200 0.009 0.000 0.867 1331 S HN 0.541 nan 8.310 nan 0.000 0.449 1332 E N 0.129 120.317 120.200 -0.021 0.000 2.110 1332 E HA -0.116 4.234 4.350 -0.001 0.000 0.193 1332 E C 2.114 178.704 176.600 -0.017 0.000 0.988 1332 E CA 1.169 57.554 56.400 -0.024 0.000 0.804 1332 E CB -0.195 29.479 29.700 -0.043 0.000 0.745 1332 E HN 0.563 nan 8.360 nan 0.000 0.458 1333 L N 0.188 121.390 121.223 -0.035 0.000 2.046 1333 L HA -0.184 4.155 4.340 -0.001 0.000 0.208 1333 L C 2.548 179.435 176.870 0.029 0.000 1.077 1333 L CA 0.732 55.569 54.840 -0.005 0.000 0.747 1333 L CB -0.390 41.625 42.059 -0.073 0.000 0.896 1333 L HN 0.087 nan 8.230 nan 0.000 0.432 1334 V N -0.885 119.034 119.914 0.010 0.000 2.287 1334 V HA -0.341 3.778 4.120 -0.001 0.000 0.248 1334 V C 2.721 178.832 176.094 0.029 0.000 1.053 1334 V CA 2.121 64.430 62.300 0.015 0.000 1.027 1334 V CB -0.524 31.300 31.823 0.002 0.000 0.646 1334 V HN 0.497 nan 8.190 nan 0.000 0.447 1335 S N -0.415 115.300 115.700 0.025 0.000 2.353 1335 S HA -0.243 4.227 4.470 -0.001 0.000 0.222 1335 S C 2.194 176.822 174.600 0.046 0.000 1.035 1335 S CA 1.869 60.088 58.200 0.031 0.000 1.025 1335 S CB -0.251 62.961 63.200 0.021 0.000 0.902 1335 S HN 0.559 nan 8.310 nan 0.000 0.440 1336 R N 0.085 120.611 120.500 0.043 0.000 2.081 1336 R HA 0.058 4.397 4.340 -0.001 0.000 0.235 1336 R C 2.340 178.690 176.300 0.085 0.000 1.131 1336 R CA 1.720 57.852 56.100 0.054 0.000 0.960 1336 R CB -0.431 29.892 30.300 0.038 0.000 0.856 1336 R HN 0.490 nan 8.270 nan 0.000 0.436 1337 I N 0.572 121.200 120.570 0.097 0.000 2.353 1337 I HA -0.233 3.936 4.170 -0.001 0.000 0.248 1337 I C 2.542 178.747 176.117 0.147 0.000 1.119 1337 I CA 1.180 62.557 61.300 0.128 0.000 1.417 1337 I CB -0.350 37.737 38.000 0.145 0.000 1.078 1337 I HN 0.212 nan 8.210 nan 0.000 0.421 1338 S N 1.631 117.396 115.700 0.107 0.000 2.383 1338 S HA -0.200 4.270 4.470 -0.001 0.000 0.229 1338 S C 2.246 176.970 174.600 0.206 0.000 1.030 1338 S CA 1.018 59.298 58.200 0.134 0.000 1.002 1338 S CB -0.605 62.639 63.200 0.073 0.000 0.829 1338 S HN 0.402 nan 8.310 nan 0.000 0.467 1339 A N 2.087 124.994 122.820 0.146 0.000 1.877 1339 A HA 0.084 4.403 4.320 -0.001 0.000 0.216 1339 A C 2.260 179.937 177.584 0.155 0.000 1.186 1339 A CA 1.520 53.633 52.037 0.127 0.000 0.620 1339 A CB -0.874 18.176 19.000 0.084 0.000 0.822 1339 A HN 0.586 nan 8.150 nan 0.000 0.443 1340 I N -1.865 118.814 120.570 0.182 0.000 2.179 1340 I HA -0.235 3.935 4.170 -0.001 0.000 0.242 1340 I C 2.346 178.673 176.117 0.350 0.000 1.088 1340 I CA 1.662 63.102 61.300 0.233 0.000 1.357 1340 I CB -0.435 37.698 38.000 0.222 0.000 1.051 1340 I HN 0.431 nan 8.210 nan 0.000 0.409 1341 F N 2.184 122.231 119.950 0.161 0.000 2.120 1341 F HA -0.348 4.178 4.527 -0.001 0.000 0.300 1341 F C 2.832 178.740 175.800 0.181 0.000 1.095 1341 F CA 1.964 60.045 58.000 0.135 0.000 1.249 1341 F CB -0.467 38.562 39.000 0.048 0.000 0.995 1341 F HN 0.160 nan 8.300 nan 0.000 0.480 1342 S N -1.167 114.639 115.700 0.176 0.000 2.469 1342 S HA -0.188 4.281 4.470 -0.001 0.000 0.238 1342 S C 1.910 176.496 174.600 -0.024 0.000 0.998 1342 S CA 1.263 59.487 58.200 0.040 0.000 0.957 1342 S CB -1.507 61.758 63.200 0.109 0.000 0.764 1342 S HN 0.632 nan 8.310 nan 0.000 0.514 1343 T N -1.880 112.678 114.554 0.007 0.000 3.055 1343 T HA 0.258 4.608 4.350 -0.001 0.000 0.265 1343 T C 0.257 174.803 174.700 -0.256 0.000 1.111 1343 T CA -0.210 61.816 62.100 -0.124 0.000 1.118 1343 T CB -0.615 68.147 68.868 -0.176 0.000 0.909 1343 T HN 0.288 nan 8.240 nan 0.000 0.501 1344 F N 0.873 120.710 119.950 -0.189 0.000 2.377 1344 F HA 0.651 5.177 4.527 -0.001 0.000 0.328 1344 F C 0.336 175.995 175.800 -0.234 0.000 1.094 1344 F CA -1.593 56.284 58.000 -0.205 0.000 1.093 1344 F CB 0.943 39.797 39.000 -0.242 0.000 1.214 1344 F HN -0.030 nan 8.300 nan 0.000 0.518 1345 I N 1.174 121.751 120.570 0.012 0.000 2.603 1345 I HA 0.669 4.839 4.170 -0.001 0.000 0.300 1345 I C 0.379 176.479 176.117 -0.027 0.000 1.017 1345 I CA -0.563 60.712 61.300 -0.042 0.000 1.098 1345 I CB 1.555 39.525 38.000 -0.049 0.000 1.279 1345 I HN 0.775 nan 8.210 nan 0.000 0.437 1346 G N 0.000 108.765 108.800 -0.058 0.000 5.446 1346 G HA2 0.000 3.959 3.960 -0.001 0.000 0.244 1346 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 1346 G CA 0.000 45.065 45.100 -0.059 0.000 0.502 1346 G HN 0.000 nan 8.290 nan 0.000 0.925