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 1zji_1_A DATA FIRST_RESID 1002 DATA SEQUENCE EKFLVIAGPC AIESEELLLK VGEEIKRLSE KFKEVEFVFK SSFDKANRSS DATA SEQUENCE IHSFRGHGLE YGVKALRKVK EEFGLKITTD IHESWQAEPV AEVADIIQIP DATA SEQUENCE AFLCGQTDLL LAAAKTGRAV NVKKGQFLAP WDTKNVVEKL KFGGAKEIYL DATA SEQUENCE TERGTTFGYN NLVVDFRSLP IMKQWAKVIY DATHSVQLPG XXXXXXGGMR DATA SEQUENCE EFIFPLIRAA VAVGCDGVFM ETHPEPEKAL SDASTQLPLS QLEGIIEAIL DATA SEQUENCE EIREVASKYY ETI 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 1002 E HA 0.000 nan 4.350 nan 0.000 0.291 1002 E C 0.000 176.668 176.600 0.113 0.000 1.382 1002 E CA 0.000 56.453 56.400 0.089 0.000 0.976 1002 E CB 0.000 29.750 29.700 0.084 0.000 0.812 1003 K N 1.627 122.089 120.400 0.103 0.000 2.276 1003 K HA 0.337 4.657 4.320 0.000 0.000 0.285 1003 K C -0.637 176.044 176.600 0.135 0.000 1.062 1003 K CA -0.408 55.949 56.287 0.116 0.000 0.918 1003 K CB 0.273 32.825 32.500 0.087 0.000 1.055 1003 K HN 0.441 nan 8.250 nan 0.000 0.477 1004 F N 4.666 124.615 119.950 -0.001 0.000 2.529 1004 F HA 0.122 4.649 4.527 0.000 0.000 0.365 1004 F C -0.325 175.422 175.800 -0.088 0.000 1.102 1004 F CA -0.374 57.608 58.000 -0.030 0.000 1.271 1004 F CB 0.488 39.461 39.000 -0.046 0.000 1.120 1004 F HN 0.395 nan 8.300 nan 0.000 0.579 1005 L N 6.624 127.490 121.223 -0.594 0.000 2.282 1005 L HA 0.539 4.879 4.340 0.000 0.000 0.288 1005 L C -1.258 175.294 176.870 -0.530 0.000 1.033 1005 L CA -0.412 54.159 54.840 -0.448 0.000 0.807 1005 L CB 1.429 43.277 42.059 -0.352 0.000 1.209 1005 L HN 0.370 nan 8.230 nan 0.000 0.423 1006 V N 6.921 126.575 119.914 -0.433 0.000 2.376 1006 V HA 0.424 4.544 4.120 0.000 0.000 0.287 1006 V C -0.044 175.910 176.094 -0.235 0.000 1.015 1006 V CA -0.412 61.669 62.300 -0.365 0.000 0.834 1006 V CB 1.439 32.926 31.823 -0.560 0.000 1.001 1006 V HN 0.554 nan 8.190 nan 0.000 0.428 1007 I N 4.809 125.257 120.570 -0.204 0.000 2.312 1007 I HA 0.772 4.942 4.170 0.000 0.000 0.290 1007 I C 0.347 176.238 176.117 -0.378 0.000 1.008 1007 I CA -0.045 61.115 61.300 -0.234 0.000 1.226 1007 I CB 1.386 39.263 38.000 -0.205 0.000 1.371 1007 I HN 0.694 nan 8.210 nan 0.000 0.468 1008 A N 4.642 127.266 122.820 -0.327 0.000 2.556 1008 A HA 1.017 5.337 4.320 0.000 0.000 0.294 1008 A C -0.390 176.870 177.584 -0.539 0.000 1.091 1008 A CA -0.318 51.478 52.037 -0.400 0.000 0.704 1008 A CB 2.039 20.941 19.000 -0.164 0.000 1.300 1008 A HN 0.881 nan 8.150 nan 0.000 0.406 1009 G N -0.261 108.210 108.800 -0.549 0.000 2.320 1009 G HA2 0.526 4.486 3.960 0.000 0.000 0.297 1009 G HA3 0.526 4.486 3.960 0.000 0.000 0.297 1009 G C -3.577 171.078 174.900 -0.409 0.000 1.344 1009 G CA -0.252 44.420 45.100 -0.713 0.000 0.851 1009 G HN 0.709 nan 8.290 nan 0.000 0.567 1010 P HA 0.255 nan 4.420 nan 0.000 0.278 1010 P C 1.289 178.563 177.300 -0.043 0.000 1.238 1010 P CA -0.075 62.962 63.100 -0.104 0.000 0.794 1010 P CB 1.808 33.460 31.700 -0.080 0.000 0.955 1011 C N 3.092 122.420 119.300 0.045 0.000 2.393 1011 C HA -0.003 4.457 4.460 0.000 0.000 0.276 1011 C C 1.237 176.302 174.990 0.124 0.000 1.215 1011 C CA 1.712 60.789 59.018 0.097 0.000 1.743 1011 C CB -1.415 26.404 27.740 0.132 0.000 2.044 1011 C HN 0.698 nan 8.230 nan 0.000 0.464 1012 A N -0.492 122.433 122.820 0.175 0.000 2.374 1012 A HA 0.697 5.017 4.320 0.000 0.000 0.317 1012 A C -0.297 177.450 177.584 0.272 0.000 1.094 1012 A CA -0.588 51.597 52.037 0.246 0.000 0.765 1012 A CB 0.508 19.752 19.000 0.407 0.000 1.268 1012 A HN 0.437 nan 8.150 nan 0.000 0.438 1013 I N 2.690 123.451 120.570 0.318 0.000 2.501 1013 I HA -0.015 4.155 4.170 0.000 0.000 0.305 1013 I C 1.020 177.416 176.117 0.466 0.000 1.197 1013 I CA 0.320 61.839 61.300 0.365 0.000 1.793 1013 I CB -0.414 37.829 38.000 0.405 0.000 1.521 1013 I HN 0.887 nan 8.210 nan 0.000 0.843 1014 E N 2.634 123.027 120.200 0.322 0.000 2.118 1014 E HA -0.135 4.215 4.350 0.000 0.000 0.195 1014 E C 0.510 177.344 176.600 0.391 0.000 0.992 1014 E CA 1.107 57.639 56.400 0.219 0.000 0.804 1014 E CB 0.185 29.910 29.700 0.041 0.000 0.741 1014 E HN 0.737 nan 8.360 nan 0.000 0.458 1015 S N -1.703 114.199 115.700 0.337 0.000 2.567 1015 S HA 0.150 4.620 4.470 0.000 0.000 0.270 1015 S C 0.142 174.905 174.600 0.272 0.000 1.152 1015 S CA -0.898 57.489 58.200 0.312 0.000 0.835 1015 S CB 1.561 64.862 63.200 0.169 0.000 1.115 1015 S HN 0.102 nan 8.310 nan 0.000 0.459 1016 E N 0.556 120.914 120.200 0.263 0.000 2.265 1016 E HA -0.167 4.183 4.350 0.000 0.000 0.196 1016 E C 1.518 178.169 176.600 0.086 0.000 0.996 1016 E CA 1.389 57.855 56.400 0.110 0.000 0.832 1016 E CB -0.018 29.694 29.700 0.020 0.000 0.756 1016 E HN 0.727 nan 8.360 nan 0.000 0.491 1017 E N 0.165 120.422 120.200 0.095 0.000 2.028 1017 E HA -0.194 4.156 4.350 0.000 0.000 0.190 1017 E C 2.192 178.829 176.600 0.062 0.000 0.984 1017 E CA 0.893 57.333 56.400 0.067 0.000 0.800 1017 E CB -0.114 29.621 29.700 0.058 0.000 0.758 1017 E HN 0.302 nan 8.360 nan 0.000 0.448 1018 L N 1.026 122.286 121.223 0.062 0.000 2.081 1018 L HA -0.201 4.139 4.340 0.000 0.000 0.212 1018 L C 2.181 179.084 176.870 0.055 0.000 1.080 1018 L CA 1.428 56.279 54.840 0.019 0.000 0.754 1018 L CB -0.546 41.508 42.059 -0.008 0.000 0.893 1018 L HN 0.202 nan 8.230 nan 0.000 0.433 1019 L N -0.895 120.399 121.223 0.119 0.000 2.017 1019 L HA -0.202 4.138 4.340 0.000 0.000 0.208 1019 L C 2.419 179.334 176.870 0.074 0.000 1.073 1019 L CA 1.836 56.786 54.840 0.183 0.000 0.745 1019 L CB -0.723 41.424 42.059 0.148 0.000 0.894 1019 L HN 0.276 nan 8.230 nan 0.000 0.432 1020 L N -1.180 120.091 121.223 0.081 0.000 2.141 1020 L HA -0.223 4.117 4.340 0.000 0.000 0.209 1020 L C 2.553 179.469 176.870 0.076 0.000 1.094 1020 L CA 1.048 55.998 54.840 0.184 0.000 0.763 1020 L CB -0.487 41.681 42.059 0.182 0.000 0.908 1020 L HN 0.270 nan 8.230 nan 0.000 0.437 1021 K N 0.149 120.570 120.400 0.035 0.000 2.002 1021 K HA -0.157 4.163 4.320 0.000 0.000 0.209 1021 K C 1.988 178.549 176.600 -0.065 0.000 1.048 1021 K CA 1.545 57.825 56.287 -0.012 0.000 0.930 1021 K CB 0.013 32.508 32.500 -0.009 0.000 0.714 1021 K HN 0.068 nan 8.250 nan 0.000 0.438 1022 V N 0.452 120.354 119.914 -0.020 0.000 2.427 1022 V HA -0.130 3.990 4.120 0.000 0.000 0.248 1022 V C 2.343 178.422 176.094 -0.024 0.000 1.051 1022 V CA 1.964 64.266 62.300 0.005 0.000 1.048 1022 V CB -0.726 31.146 31.823 0.082 0.000 0.666 1022 V HN 0.582 nan 8.190 nan 0.000 0.456 1023 G N -0.464 108.267 108.800 -0.115 0.000 2.442 1023 G HA2 -0.300 3.660 3.960 0.000 0.000 0.219 1023 G HA3 -0.300 3.660 3.960 0.000 0.000 0.219 1023 G C 1.511 175.740 174.900 -1.119 0.000 1.141 1023 G CA 1.000 45.766 45.100 -0.557 0.000 0.763 1023 G HN 0.576 nan 8.290 nan 0.000 0.554 1024 E N 0.053 119.624 120.200 -1.049 0.000 2.051 1024 E HA -0.176 4.174 4.350 0.000 0.000 0.192 1024 E C 2.318 178.662 176.600 -0.427 0.000 0.991 1024 E CA 1.330 57.249 56.400 -0.802 0.000 0.799 1024 E CB -0.104 29.416 29.700 -0.300 0.000 0.748 1024 E HN 0.375 nan 8.360 nan 0.000 0.449 1025 E N 0.768 120.795 120.200 -0.288 0.000 2.110 1025 E HA -0.146 4.204 4.350 0.000 0.000 0.193 1025 E C 1.888 178.345 176.600 -0.239 0.000 0.988 1025 E CA 1.203 57.485 56.400 -0.196 0.000 0.804 1025 E CB -0.251 29.375 29.700 -0.124 0.000 0.745 1025 E HN 0.415 nan 8.360 nan 0.000 0.458 1026 I N 0.155 120.564 120.570 -0.267 0.000 2.315 1026 I HA -0.219 3.951 4.170 0.000 0.000 0.248 1026 I C 2.238 178.093 176.117 -0.436 0.000 1.117 1026 I CA 1.037 62.137 61.300 -0.333 0.000 1.404 1026 I CB -0.255 37.667 38.000 -0.131 0.000 1.071 1026 I HN 0.069 nan 8.210 nan 0.000 0.419 1027 K N 1.594 121.773 120.400 -0.368 0.000 2.057 1027 K HA -0.195 4.126 4.320 0.000 0.000 0.207 1027 K C 2.208 178.678 176.600 -0.217 0.000 1.049 1027 K CA 1.530 57.663 56.287 -0.256 0.000 0.931 1027 K CB -0.313 32.050 32.500 -0.228 0.000 0.714 1027 K HN 0.080 nan 8.250 nan 0.000 0.440 1028 R N 0.018 120.388 120.500 -0.217 0.000 2.081 1028 R HA -0.054 4.286 4.340 0.000 0.000 0.235 1028 R C 2.207 178.390 176.300 -0.195 0.000 1.131 1028 R CA 1.574 57.575 56.100 -0.164 0.000 0.960 1028 R CB -0.294 29.924 30.300 -0.136 0.000 0.856 1028 R HN 0.235 nan 8.270 nan 0.000 0.436 1029 L N 0.615 121.681 121.223 -0.262 0.000 2.093 1029 L HA -0.138 4.202 4.340 0.000 0.000 0.208 1029 L C 2.630 179.360 176.870 -0.234 0.000 1.085 1029 L CA 1.466 56.177 54.840 -0.215 0.000 0.755 1029 L CB -0.456 41.483 42.059 -0.200 0.000 0.904 1029 L HN 0.358 nan 8.230 nan 0.000 0.435 1030 S N -0.911 114.487 115.700 -0.504 0.000 2.399 1030 S HA -0.158 4.312 4.470 0.000 0.000 0.231 1030 S C 1.767 176.398 174.600 0.052 0.000 1.022 1030 S CA 0.854 58.976 58.200 -0.130 0.000 0.983 1030 S CB -0.232 62.908 63.200 -0.100 0.000 0.803 1030 S HN 0.383 nan 8.310 nan 0.000 0.480 1031 E N 1.493 121.663 120.200 -0.049 0.000 2.152 1031 E HA 0.002 4.352 4.350 0.000 0.000 0.192 1031 E C 1.966 178.528 176.600 -0.064 0.000 0.983 1031 E CA 0.811 57.192 56.400 -0.032 0.000 0.818 1031 E CB -0.199 29.469 29.700 -0.052 0.000 0.758 1031 E HN 0.734 nan 8.360 nan 0.000 0.467 1032 K N -0.039 120.265 120.400 -0.159 0.000 2.044 1032 K HA 0.001 4.321 4.320 0.000 0.000 0.204 1032 K C 0.361 176.777 176.600 -0.305 0.000 1.045 1032 K CA 0.427 56.517 56.287 -0.328 0.000 0.951 1032 K CB 0.060 32.190 32.500 -0.617 0.000 0.738 1032 K HN -0.059 nan 8.250 nan 0.000 0.443 1033 F N 2.341 122.378 119.950 0.146 0.000 2.573 1033 F HA 0.226 4.754 4.527 0.000 0.000 0.349 1033 F C 0.893 176.820 175.800 0.211 0.000 1.213 1033 F CA -0.450 57.669 58.000 0.199 0.000 1.300 1033 F CB 0.699 39.882 39.000 0.307 0.000 1.661 1033 F HN -0.066 nan 8.300 nan 0.000 0.616 1034 K N 0.878 121.422 120.400 0.240 0.000 2.280 1034 K HA -0.154 4.166 4.320 0.000 0.000 0.202 1034 K C 1.878 178.586 176.600 0.180 0.000 1.047 1034 K CA 1.028 57.426 56.287 0.185 0.000 0.942 1034 K CB 0.030 32.596 32.500 0.109 0.000 0.739 1034 K HN 0.493 nan 8.250 nan 0.000 0.457 1035 E N 0.751 121.065 120.200 0.191 0.000 2.476 1035 E HA -0.011 4.339 4.350 0.000 0.000 0.191 1035 E C -0.101 176.586 176.600 0.145 0.000 1.064 1035 E CA 0.212 56.700 56.400 0.147 0.000 0.866 1035 E CB 0.182 29.957 29.700 0.124 0.000 0.952 1035 E HN -0.088 nan 8.360 nan 0.000 0.492 1036 V N 1.175 121.189 119.914 0.167 0.000 2.715 1036 V HA 0.260 4.380 4.120 0.000 0.000 0.310 1036 V C -0.254 175.854 176.094 0.023 0.000 1.054 1036 V CA -0.862 61.464 62.300 0.044 0.000 0.928 1036 V CB 1.953 33.689 31.823 -0.144 0.000 1.007 1036 V HN 0.138 nan 8.190 nan 0.000 0.437 1037 E N 2.743 122.896 120.200 -0.078 0.000 2.073 1037 E HA 0.411 4.761 4.350 0.000 0.000 0.269 1037 E C -1.541 174.991 176.600 -0.114 0.000 0.917 1037 E CA -0.418 55.977 56.400 -0.008 0.000 0.757 1037 E CB 0.788 30.492 29.700 0.006 0.000 1.111 1037 E HN 0.494 nan 8.360 nan 0.000 0.410 1038 F N 2.587 122.568 119.950 0.052 0.000 2.375 1038 F HA 0.329 4.856 4.527 0.000 0.000 0.333 1038 F C 0.130 175.945 175.800 0.025 0.000 1.104 1038 F CA -0.481 57.539 58.000 0.032 0.000 1.149 1038 F CB 1.384 40.419 39.000 0.057 0.000 1.190 1038 F HN 0.110 nan 8.300 nan 0.000 0.533 1039 V N 3.879 123.896 119.914 0.170 0.000 2.623 1039 V HA 0.235 4.356 4.120 0.000 0.000 0.304 1039 V C -0.882 175.280 176.094 0.112 0.000 1.054 1039 V CA -1.047 61.321 62.300 0.112 0.000 0.882 1039 V CB 1.744 33.566 31.823 -0.002 0.000 1.002 1039 V HN 0.538 nan 8.190 nan 0.000 0.424 1040 F N 5.525 125.489 119.950 0.023 0.000 2.427 1040 F HA 0.575 5.102 4.527 0.000 0.000 0.352 1040 F C 0.229 176.015 175.800 -0.024 0.000 1.100 1040 F CA 0.224 58.220 58.000 -0.006 0.000 1.191 1040 F CB 0.609 39.618 39.000 0.015 0.000 1.128 1040 F HN 0.392 nan 8.300 nan 0.000 0.533 1041 K N 4.456 124.491 120.400 -0.608 0.000 2.316 1041 K HA 0.613 4.933 4.320 0.000 0.000 0.251 1041 K C -1.678 174.669 176.600 -0.422 0.000 0.934 1041 K CA -0.482 55.584 56.287 -0.368 0.000 0.802 1041 K CB 1.851 34.128 32.500 -0.371 0.000 1.171 1041 K HN 0.674 nan 8.250 nan 0.000 0.426 1042 S N 1.229 116.874 115.700 -0.093 0.000 2.583 1042 S HA 0.258 4.728 4.470 0.000 0.000 0.294 1042 S C -1.735 172.922 174.600 0.095 0.000 1.121 1042 S CA -0.535 57.671 58.200 0.009 0.000 0.910 1042 S CB 0.869 64.136 63.200 0.111 0.000 1.102 1042 S HN 0.502 nan 8.310 nan 0.000 0.451 1043 S N 3.747 119.488 115.700 0.068 0.000 2.489 1043 S HA 0.327 4.797 4.470 0.000 0.000 0.277 1043 S C 0.955 175.569 174.600 0.024 0.000 1.230 1043 S CA -0.563 57.621 58.200 -0.026 0.000 1.053 1043 S CB 0.126 63.290 63.200 -0.060 0.000 0.955 1043 S HN 0.687 nan 8.310 nan 0.000 0.488 1044 F N 0.753 120.787 119.950 0.140 0.000 2.661 1044 F HA 0.374 4.901 4.527 0.000 0.000 0.298 1044 F C 0.441 176.299 175.800 0.096 0.000 1.137 1044 F CA -0.286 57.804 58.000 0.150 0.000 1.454 1044 F CB -0.145 38.939 39.000 0.139 0.000 1.103 1044 F HN 0.464 nan 8.300 nan 0.000 0.577 1045 D N -0.019 120.179 120.400 -0.337 0.000 2.886 1045 D HA 0.226 4.866 4.640 0.000 0.000 0.216 1045 D C -1.532 174.592 176.300 -0.294 0.000 1.256 1045 D CA -0.679 53.178 54.000 -0.239 0.000 0.844 1045 D CB 1.275 42.014 40.800 -0.101 0.000 1.669 1045 D HN -0.165 nan 8.370 nan 0.000 0.513 1046 K N 2.939 123.175 120.400 -0.272 0.000 2.290 1046 K HA 0.523 4.843 4.320 0.000 0.000 0.250 1046 K C 0.369 176.786 176.600 -0.305 0.000 1.092 1046 K CA -0.396 55.751 56.287 -0.232 0.000 1.006 1046 K CB 0.930 33.350 32.500 -0.132 0.000 1.549 1046 K HN 0.468 nan 8.250 nan 0.000 0.436 1047 A N 2.787 125.281 122.820 -0.544 0.000 2.239 1047 A HA -0.112 4.208 4.320 0.000 0.000 0.209 1047 A C 0.481 177.933 177.584 -0.220 0.000 1.171 1047 A CA 0.641 52.384 52.037 -0.490 0.000 0.768 1047 A CB -0.656 17.786 19.000 -0.931 0.000 0.790 1047 A HN 0.726 nan 8.150 nan 0.000 0.478 1048 N N -1.396 117.229 118.700 -0.126 0.000 2.622 1048 N HA 0.146 4.886 4.740 0.000 0.000 0.293 1048 N C -0.501 175.028 175.510 0.032 0.000 1.788 1048 N CA -0.609 52.443 53.050 0.003 0.000 0.860 1048 N CB 0.328 38.907 38.487 0.153 0.000 1.388 1048 N HN -0.053 nan 8.380 nan 0.000 0.496 1049 R N 0.049 120.541 120.500 -0.012 0.000 2.784 1049 R HA 0.220 4.561 4.340 0.000 0.000 0.266 1049 R C 0.878 177.193 176.300 0.025 0.000 1.044 1049 R CA -0.040 56.068 56.100 0.014 0.000 1.151 1049 R CB 0.328 30.627 30.300 -0.001 0.000 1.037 1049 R HN 0.294 nan 8.270 nan 0.000 0.478 1050 S N 0.394 116.118 115.700 0.041 0.000 2.343 1050 S HA -0.102 4.369 4.470 0.000 0.000 0.219 1050 S C 1.068 175.675 174.600 0.013 0.000 1.033 1050 S CA 1.127 59.348 58.200 0.034 0.000 1.014 1050 S CB -0.062 63.166 63.200 0.045 0.000 0.915 1050 S HN 0.640 nan 8.310 nan 0.000 0.435 1051 S N -0.161 115.551 115.700 0.020 0.000 2.616 1051 S HA 0.371 4.841 4.470 0.000 0.000 0.277 1051 S C 0.779 175.356 174.600 -0.039 0.000 1.234 1051 S CA -0.656 57.548 58.200 0.008 0.000 1.028 1051 S CB 0.944 64.184 63.200 0.067 0.000 0.988 1051 S HN 0.209 nan 8.310 nan 0.000 0.522 1052 I N 2.951 123.440 120.570 -0.135 0.000 2.676 1052 I HA 0.041 4.211 4.170 0.000 0.000 0.259 1052 I C 1.271 177.255 176.117 -0.222 0.000 1.194 1052 I CA 1.669 62.842 61.300 -0.213 0.000 1.473 1052 I CB -0.323 37.489 38.000 -0.312 0.000 1.096 1052 I HN 0.817 nan 8.210 nan 0.000 0.443 1053 H N -0.876 118.202 119.070 0.013 0.000 2.547 1053 H HA 0.286 4.843 4.556 0.000 0.000 0.266 1053 H C 0.847 176.199 175.328 0.041 0.000 0.988 1053 H CA -0.002 56.061 56.048 0.024 0.000 1.147 1053 H CB -0.035 29.742 29.762 0.024 0.000 1.365 1053 H HN 0.178 nan 8.280 nan 0.000 0.589 1054 S N 0.539 116.307 115.700 0.113 0.000 2.610 1054 S HA 0.096 4.567 4.470 0.000 0.000 0.273 1054 S C -0.197 174.474 174.600 0.118 0.000 1.274 1054 S CA -0.830 57.442 58.200 0.119 0.000 1.023 1054 S CB 0.747 64.001 63.200 0.090 0.000 0.962 1054 S HN 0.243 nan 8.310 nan 0.000 0.523 1055 F N 2.149 122.106 119.950 0.012 0.000 2.607 1055 F HA 0.101 4.628 4.527 0.000 0.000 0.374 1055 F C 1.304 177.087 175.800 -0.029 0.000 1.104 1055 F CA 0.478 58.470 58.000 -0.012 0.000 1.296 1055 F CB 0.410 39.403 39.000 -0.012 0.000 1.085 1055 F HN 0.589 nan 8.300 nan 0.000 0.584 1056 R N 2.744 122.687 120.500 -0.929 0.000 2.197 1056 R HA 0.482 4.822 4.340 0.000 0.000 0.188 1056 R C 0.415 176.123 176.300 -0.987 0.000 1.015 1056 R CA 0.124 55.797 56.100 -0.713 0.000 1.132 1056 R CB 0.333 30.407 30.300 -0.377 0.000 1.134 1056 R HN 0.865 nan 8.270 nan 0.000 0.560 1057 G N -0.847 107.208 108.800 -1.242 0.000 2.341 1057 G HA2 0.038 3.998 3.960 0.000 0.000 0.293 1057 G HA3 0.038 3.998 3.960 0.000 0.000 0.293 1057 G C -1.110 173.521 174.900 -0.449 0.000 1.298 1057 G CA -0.816 43.828 45.100 -0.760 0.000 0.868 1057 G HN 0.210 nan 8.290 nan 0.000 0.540 1058 H N 0.239 119.369 119.070 0.100 0.000 2.505 1058 H HA 0.452 5.008 4.556 0.000 0.000 0.286 1058 H C 1.295 176.697 175.328 0.123 0.000 1.072 1058 H CA 0.751 56.825 56.048 0.042 0.000 1.141 1058 H CB 0.488 30.131 29.762 -0.199 0.000 1.550 1058 H HN 1.784 nan 8.280 nan 0.000 0.547 1059 G N 0.791 109.745 108.800 0.256 0.000 2.663 1059 G HA2 -0.213 3.748 3.960 0.000 0.000 0.686 1059 G HA3 -0.213 3.748 3.960 0.000 0.000 0.686 1059 G C 0.427 175.485 174.900 0.264 0.000 1.246 1059 G CA -0.208 45.044 45.100 0.254 0.000 0.795 1059 G HN 0.215 nan 8.290 nan 0.000 0.627 1060 L N 0.937 122.228 121.223 0.113 0.000 2.017 1060 L HA 0.007 4.347 4.340 0.000 0.000 0.208 1060 L C 2.422 179.209 176.870 -0.138 0.000 1.073 1060 L CA 3.283 57.941 54.840 -0.302 0.000 0.745 1060 L CB -1.020 40.847 42.059 -0.319 0.000 0.894 1060 L HN 1.019 nan 8.230 nan 0.000 0.432 1061 E N -1.133 119.081 120.200 0.023 0.000 2.038 1061 E HA -0.337 4.013 4.350 0.000 0.000 0.195 1061 E C 2.270 178.925 176.600 0.090 0.000 1.000 1061 E CA 1.973 58.403 56.400 0.050 0.000 0.803 1061 E CB -0.498 29.253 29.700 0.086 0.000 0.750 1061 E HN 0.551 nan 8.360 nan 0.000 0.448 1062 Y N 0.542 120.877 120.300 0.058 0.000 2.145 1062 Y HA -0.128 4.422 4.550 0.000 0.000 0.286 1062 Y C 2.142 178.108 175.900 0.109 0.000 1.145 1062 Y CA 2.191 60.344 58.100 0.088 0.000 1.148 1062 Y CB -0.799 37.744 38.460 0.138 0.000 0.981 1062 Y HN 0.134 nan 8.280 nan 0.000 0.507 1063 G N -0.487 108.457 108.800 0.241 0.000 2.446 1063 G HA2 -0.265 3.695 3.960 0.000 0.000 0.217 1063 G HA3 -0.265 3.695 3.960 0.000 0.000 0.217 1063 G C 1.733 176.668 174.900 0.058 0.000 1.168 1063 G CA 1.492 46.717 45.100 0.209 0.000 0.771 1063 G HN 0.367 nan 8.290 nan 0.000 0.551 1064 V N 0.844 120.748 119.914 -0.017 0.000 2.392 1064 V HA -0.178 3.943 4.120 0.000 0.000 0.249 1064 V C 2.689 178.751 176.094 -0.053 0.000 1.059 1064 V CA 2.301 64.578 62.300 -0.038 0.000 1.051 1064 V CB -0.366 31.405 31.823 -0.087 0.000 0.658 1064 V HN 0.468 nan 8.190 nan 0.000 0.455 1065 K N 0.161 120.503 120.400 -0.098 0.000 2.057 1065 K HA -0.148 4.172 4.320 0.000 0.000 0.206 1065 K C 2.184 178.679 176.600 -0.175 0.000 1.050 1065 K CA 1.509 57.715 56.287 -0.135 0.000 0.935 1065 K CB -0.284 32.119 32.500 -0.163 0.000 0.715 1065 K HN 0.427 nan 8.250 nan 0.000 0.439 1066 A N 1.223 123.891 122.820 -0.252 0.000 1.898 1066 A HA -0.075 4.245 4.320 0.000 0.000 0.216 1066 A C 2.092 179.624 177.584 -0.086 0.000 1.181 1066 A CA 1.049 52.962 52.037 -0.206 0.000 0.620 1066 A CB -0.540 18.320 19.000 -0.234 0.000 0.819 1066 A HN 0.308 nan 8.150 nan 0.000 0.442 1067 L N -1.002 120.210 121.223 -0.018 0.000 2.083 1067 L HA -0.176 4.164 4.340 0.000 0.000 0.209 1067 L C 2.779 179.632 176.870 -0.028 0.000 1.083 1067 L CA 1.714 56.571 54.840 0.028 0.000 0.752 1067 L CB -0.416 41.710 42.059 0.111 0.000 0.899 1067 L HN 0.485 nan 8.230 nan 0.000 0.433 1068 R N 0.585 121.060 120.500 -0.043 0.000 2.092 1068 R HA -0.216 4.124 4.340 0.000 0.000 0.231 1068 R C 2.334 178.583 176.300 -0.086 0.000 1.119 1068 R CA 1.427 57.495 56.100 -0.052 0.000 0.970 1068 R CB -0.010 30.260 30.300 -0.050 0.000 0.864 1068 R HN 0.004 nan 8.270 nan 0.000 0.440 1069 K N 0.248 120.583 120.400 -0.108 0.000 2.063 1069 K HA -0.084 4.236 4.320 0.000 0.000 0.208 1069 K C 1.771 178.265 176.600 -0.177 0.000 1.048 1069 K CA 1.694 57.898 56.287 -0.138 0.000 0.928 1069 K CB -0.397 32.023 32.500 -0.133 0.000 0.713 1069 K HN 0.091 nan 8.250 nan 0.000 0.442 1070 V N 1.078 120.896 119.914 -0.160 0.000 2.261 1070 V HA -0.244 3.876 4.120 0.000 0.000 0.246 1070 V C 2.456 178.490 176.094 -0.099 0.000 1.047 1070 V CA 2.232 64.439 62.300 -0.156 0.000 1.015 1070 V CB -0.519 31.041 31.823 -0.437 0.000 0.642 1070 V HN 0.441 nan 8.190 nan 0.000 0.446 1071 K N -0.134 120.213 120.400 -0.088 0.000 2.097 1071 K HA -0.250 4.070 4.320 0.000 0.000 0.206 1071 K C 2.194 178.758 176.600 -0.061 0.000 1.049 1071 K CA 1.954 58.220 56.287 -0.034 0.000 0.933 1071 K CB -0.080 32.414 32.500 -0.010 0.000 0.717 1071 K HN 0.583 nan 8.250 nan 0.000 0.442 1072 E N 0.279 120.414 120.200 -0.108 0.000 2.072 1072 E HA -0.188 4.162 4.350 0.000 0.000 0.190 1072 E C 1.786 178.266 176.600 -0.201 0.000 0.982 1072 E CA 1.055 57.380 56.400 -0.126 0.000 0.803 1072 E CB 0.148 29.775 29.700 -0.122 0.000 0.755 1072 E HN 0.345 nan 8.360 nan 0.000 0.453 1073 E N -1.265 118.723 120.200 -0.353 0.000 2.230 1073 E HA -0.088 4.262 4.350 0.000 0.000 0.192 1073 E C 0.704 176.855 176.600 -0.749 0.000 0.987 1073 E CA 0.610 56.634 56.400 -0.626 0.000 0.841 1073 E CB 0.230 29.363 29.700 -0.946 0.000 0.783 1073 E HN 0.231 nan 8.360 nan 0.000 0.481 1074 F N -1.166 118.728 119.950 -0.095 0.000 2.706 1074 F HA 0.359 4.886 4.527 0.000 0.000 0.313 1074 F C 1.210 176.978 175.800 -0.054 0.000 1.096 1074 F CA 0.278 58.228 58.000 -0.083 0.000 1.219 1074 F CB 1.058 39.989 39.000 -0.115 0.000 1.051 1074 F HN 0.026 nan 8.300 nan 0.000 0.568 1075 G N 1.915 110.753 108.800 0.063 0.000 2.283 1075 G HA2 -0.303 3.657 3.960 0.000 0.000 0.280 1075 G HA3 -0.303 3.657 3.960 0.000 0.000 0.280 1075 G C -0.100 174.852 174.900 0.085 0.000 1.029 1075 G CA 0.075 45.207 45.100 0.054 0.000 0.840 1075 G HN 0.313 nan 8.290 nan 0.000 0.505 1076 L N -0.519 120.767 121.223 0.104 0.000 2.322 1076 L HA 0.460 4.800 4.340 0.000 0.000 0.279 1076 L C 1.096 178.036 176.870 0.116 0.000 1.036 1076 L CA -1.026 53.888 54.840 0.122 0.000 0.807 1076 L CB 1.210 43.353 42.059 0.141 0.000 1.226 1076 L HN 0.024 nan 8.230 nan 0.000 0.433 1077 K N 2.358 122.834 120.400 0.127 0.000 2.380 1077 K HA 0.338 4.658 4.320 0.000 0.000 0.267 1077 K C -0.647 176.038 176.600 0.141 0.000 0.990 1077 K CA -0.222 56.132 56.287 0.112 0.000 0.946 1077 K CB 0.755 33.313 32.500 0.097 0.000 0.937 1077 K HN 0.292 nan 8.250 nan 0.000 0.491 1078 I N 0.837 121.480 120.570 0.122 0.000 2.646 1078 I HA 0.279 4.449 4.170 0.000 0.000 0.299 1078 I C 0.097 176.283 176.117 0.114 0.000 1.036 1078 I CA -0.387 61.006 61.300 0.155 0.000 1.074 1078 I CB 1.886 39.972 38.000 0.143 0.000 1.258 1078 I HN 0.574 nan 8.210 nan 0.000 0.430 1079 T N 2.853 117.477 114.554 0.118 0.000 2.956 1079 T HA 0.638 4.988 4.350 0.000 0.000 0.312 1079 T C -1.016 173.740 174.700 0.093 0.000 1.151 1079 T CA -0.208 61.939 62.100 0.079 0.000 1.024 1079 T CB 1.617 70.505 68.868 0.035 0.000 1.140 1079 T HN 0.840 nan 8.240 nan 0.000 0.473 1080 T N 2.277 116.885 114.554 0.090 0.000 2.821 1080 T HA 0.561 4.912 4.350 0.000 0.000 0.306 1080 T C -2.036 172.678 174.700 0.024 0.000 1.313 1080 T CA -0.704 61.452 62.100 0.092 0.000 1.012 1080 T CB 1.512 70.509 68.868 0.214 0.000 1.298 1080 T HN 0.807 nan 8.240 nan 0.000 0.502 1081 D N 2.299 122.644 120.400 -0.091 0.000 2.217 1081 D HA 0.554 5.194 4.640 0.000 0.000 0.248 1081 D C 0.125 176.178 176.300 -0.412 0.000 1.008 1081 D CA -0.661 53.202 54.000 -0.229 0.000 0.914 1081 D CB 1.281 41.920 40.800 -0.269 0.000 1.182 1081 D HN 0.768 nan 8.370 nan 0.000 0.451 1082 I N -2.667 117.641 120.570 -0.438 0.000 2.797 1082 I HA 0.400 4.570 4.170 0.000 0.000 0.307 1082 I C -0.027 175.659 176.117 -0.719 0.000 1.033 1082 I CA -0.924 60.108 61.300 -0.447 0.000 1.071 1082 I CB 2.308 40.194 38.000 -0.190 0.000 1.255 1082 I HN 0.334 nan 8.210 nan 0.000 0.445 1083 H N 1.474 120.488 119.070 -0.094 0.000 3.241 1083 H HA 0.448 5.004 4.556 0.000 0.000 0.260 1083 H C -0.464 174.827 175.328 -0.063 0.000 1.084 1083 H CA 0.015 56.020 56.048 -0.071 0.000 1.203 1083 H CB 1.202 30.929 29.762 -0.058 0.000 1.524 1083 H HN 0.659 nan 8.280 nan 0.000 0.521 1084 E N 0.046 120.192 120.200 -0.090 0.000 2.366 1084 E HA 0.245 4.595 4.350 0.000 0.000 0.278 1084 E C 0.096 176.577 176.600 -0.198 0.000 0.923 1084 E CA -0.371 55.974 56.400 -0.091 0.000 0.761 1084 E CB 2.639 32.341 29.700 0.003 0.000 1.231 1084 E HN -0.159 nan 8.360 nan 0.000 0.443 1085 S N 1.595 117.281 115.700 -0.024 0.000 2.389 1085 S HA -0.189 4.281 4.470 0.000 0.000 0.231 1085 S C 1.544 176.161 174.600 0.029 0.000 1.052 1085 S CA 1.962 60.170 58.200 0.015 0.000 1.053 1085 S CB -0.262 62.992 63.200 0.089 0.000 0.886 1085 S HN 0.742 nan 8.310 nan 0.000 0.456 1086 W N 1.674 123.002 121.300 0.048 0.000 2.421 1086 W HA -0.076 4.584 4.660 0.000 0.000 0.270 1086 W C 1.205 177.747 176.519 0.038 0.000 1.233 1086 W CA 0.722 58.090 57.345 0.038 0.000 1.226 1086 W CB -0.811 28.670 29.460 0.035 0.000 1.121 1086 W HN 0.408 nan 8.180 nan 0.000 0.579 1087 Q N 0.896 120.290 119.800 -0.677 0.000 2.378 1087 Q HA 0.020 4.360 4.340 0.000 0.000 0.205 1087 Q C 2.673 178.542 176.000 -0.218 0.000 0.954 1087 Q CA 1.150 56.571 55.803 -0.637 0.000 0.901 1087 Q CB -0.242 28.035 28.738 -0.767 0.000 0.981 1087 Q HN 0.315 nan 8.270 nan 0.000 0.483 1088 A N 1.824 124.570 122.820 -0.124 0.000 1.865 1088 A HA -0.299 4.021 4.320 0.000 0.000 0.217 1088 A C 1.985 179.563 177.584 -0.009 0.000 1.191 1088 A CA 1.801 53.810 52.037 -0.046 0.000 0.623 1088 A CB -0.555 18.435 19.000 -0.016 0.000 0.826 1088 A HN 0.441 nan 8.150 nan 0.000 0.444 1089 E N -0.374 119.839 120.200 0.022 0.000 2.023 1089 E HA -0.163 4.187 4.350 0.000 0.000 0.196 1089 E C -0.456 176.159 176.600 0.025 0.000 1.003 1089 E CA 1.511 57.933 56.400 0.036 0.000 0.809 1089 E CB -0.646 29.093 29.700 0.063 0.000 0.755 1089 E HN 0.499 nan 8.360 nan 0.000 0.449 1090 P HA -0.118 nan 4.420 nan 0.000 0.217 1090 P C 1.687 178.970 177.300 -0.029 0.000 1.150 1090 P CA 1.018 64.124 63.100 0.009 0.000 0.832 1090 P CB -0.032 31.686 31.700 0.031 0.000 0.787 1091 V N 0.927 120.809 119.914 -0.054 0.000 2.427 1091 V HA -0.178 3.942 4.120 0.000 0.000 0.248 1091 V C 2.752 178.849 176.094 0.005 0.000 1.051 1091 V CA 1.993 64.270 62.300 -0.037 0.000 1.048 1091 V CB -1.640 30.176 31.823 -0.011 0.000 0.666 1091 V HN 0.106 nan 8.190 nan 0.000 0.456 1092 A N -0.600 122.225 122.820 0.008 0.000 2.172 1092 A HA -0.173 4.147 4.320 0.000 0.000 0.216 1092 A C 2.012 179.608 177.584 0.020 0.000 1.154 1092 A CA 1.226 53.276 52.037 0.020 0.000 0.701 1092 A CB -0.428 18.585 19.000 0.021 0.000 0.789 1092 A HN 0.655 nan 8.150 nan 0.000 0.465 1093 E N -1.281 118.927 120.200 0.012 0.000 2.427 1093 E HA 0.016 4.366 4.350 0.000 0.000 0.196 1093 E C 1.330 177.937 176.600 0.012 0.000 1.028 1093 E CA 0.838 57.245 56.400 0.011 0.000 0.864 1093 E CB 0.221 29.924 29.700 0.005 0.000 0.813 1093 E HN 0.421 nan 8.360 nan 0.000 0.514 1094 V N -0.591 119.334 119.914 0.018 0.000 3.368 1094 V HA 0.322 4.442 4.120 0.000 0.000 0.255 1094 V C -0.182 175.939 176.094 0.045 0.000 1.466 1094 V CA 0.287 62.602 62.300 0.025 0.000 1.095 1094 V CB 0.962 32.797 31.823 0.020 0.000 0.899 1094 V HN 0.086 nan 8.190 nan 0.000 0.440 1095 A N 0.510 123.361 122.820 0.052 0.000 2.362 1095 A HA 0.355 4.675 4.320 0.000 0.000 0.276 1095 A C 0.712 178.331 177.584 0.059 0.000 1.153 1095 A CA 0.186 52.263 52.037 0.066 0.000 0.813 1095 A CB 0.096 19.140 19.000 0.073 0.000 1.081 1095 A HN 0.495 nan 8.150 nan 0.000 0.507 1096 D N 1.526 121.965 120.400 0.065 0.000 2.249 1096 D HA 0.071 4.711 4.640 0.000 0.000 0.205 1096 D C 0.099 176.440 176.300 0.069 0.000 0.962 1096 D CA 1.390 55.428 54.000 0.064 0.000 0.860 1096 D CB 0.284 41.125 40.800 0.067 0.000 0.955 1096 D HN 0.573 nan 8.370 nan 0.000 0.505 1097 I N 1.539 122.147 120.570 0.063 0.000 2.478 1097 I HA 0.281 4.451 4.170 0.000 0.000 0.287 1097 I C -0.461 175.687 176.117 0.052 0.000 1.042 1097 I CA -0.612 60.725 61.300 0.063 0.000 1.067 1097 I CB 2.676 40.691 38.000 0.025 0.000 1.233 1097 I HN -0.308 nan 8.210 nan 0.000 0.431 1098 I N 5.607 126.208 120.570 0.051 0.000 2.331 1098 I HA 0.247 4.418 4.170 0.000 0.000 0.292 1098 I C 0.056 176.180 176.117 0.012 0.000 0.998 1098 I CA -0.294 61.024 61.300 0.029 0.000 1.267 1098 I CB 1.431 39.443 38.000 0.020 0.000 1.386 1098 I HN 0.611 nan 8.210 nan 0.000 0.476 1099 Q N 6.701 126.492 119.800 -0.015 0.000 2.256 1099 Q HA 0.454 4.794 4.340 0.000 0.000 0.257 1099 Q C -1.279 174.665 176.000 -0.094 0.000 0.936 1099 Q CA -0.737 55.040 55.803 -0.043 0.000 0.903 1099 Q CB 1.549 30.266 28.738 -0.034 0.000 1.263 1099 Q HN 0.479 nan 8.270 nan 0.000 0.440 1100 I N 5.878 126.394 120.570 -0.089 0.000 2.339 1100 I HA 0.364 4.535 4.170 0.000 0.000 0.290 1100 I C -2.201 173.839 176.117 -0.127 0.000 0.994 1100 I CA -2.684 58.556 61.300 -0.101 0.000 1.191 1100 I CB 0.887 38.854 38.000 -0.056 0.000 1.343 1100 I HN 0.569 nan 8.210 nan 0.000 0.458 1101 P HA 0.057 nan 4.420 nan 0.000 0.267 1101 P C 0.658 177.867 177.300 -0.151 0.000 1.200 1101 P CA 0.133 63.141 63.100 -0.154 0.000 0.772 1101 P CB 0.880 32.547 31.700 -0.055 0.000 0.855 1102 A N 2.687 125.334 122.820 -0.288 0.000 1.873 1102 A HA -0.240 4.080 4.320 0.000 0.000 0.218 1102 A C 1.705 179.277 177.584 -0.020 0.000 1.193 1102 A CA 1.869 53.737 52.037 -0.282 0.000 0.629 1102 A CB -1.745 16.968 19.000 -0.478 0.000 0.826 1102 A HN 0.519 nan 8.150 nan 0.000 0.447 1103 F N -0.271 119.723 119.950 0.073 0.000 2.333 1103 F HA -0.022 4.505 4.527 0.000 0.000 0.300 1103 F C 1.661 177.567 175.800 0.177 0.000 1.083 1103 F CA 0.576 58.699 58.000 0.206 0.000 1.395 1103 F CB -0.561 38.501 39.000 0.103 0.000 1.056 1103 F HN 0.112 nan 8.300 nan 0.000 0.529 1104 L N -0.669 120.709 121.223 0.258 0.000 2.667 1104 L HA 0.084 4.424 4.340 0.000 0.000 0.232 1104 L C 2.021 178.961 176.870 0.116 0.000 1.138 1104 L CA -0.006 54.930 54.840 0.161 0.000 0.921 1104 L CB -0.766 41.354 42.059 0.102 0.000 1.180 1104 L HN 0.240 nan 8.230 nan 0.000 0.487 1105 C N -1.221 118.153 119.300 0.124 0.000 2.413 1105 C HA -0.007 4.453 4.460 0.000 0.000 0.292 1105 C C 2.163 177.202 174.990 0.082 0.000 1.435 1105 C CA 0.538 59.593 59.018 0.062 0.000 1.791 1105 C CB -1.714 26.024 27.740 -0.003 0.000 1.784 1105 C HN 0.555 nan 8.230 nan 0.000 0.548 1106 G N -1.109 107.771 108.800 0.134 0.000 2.921 1106 G HA2 0.154 4.114 3.960 0.000 0.000 0.213 1106 G HA3 0.154 4.114 3.960 0.000 0.000 0.213 1106 G C 0.667 175.593 174.900 0.045 0.000 1.143 1106 G CA -0.118 45.037 45.100 0.091 0.000 0.764 1106 G HN 0.544 nan 8.290 nan 0.000 0.542 1107 Q N 1.607 121.435 119.800 0.047 0.000 2.337 1107 Q HA 0.119 4.459 4.340 0.000 0.000 0.255 1107 Q C 1.340 177.351 176.000 0.019 0.000 1.205 1107 Q CA 0.088 55.908 55.803 0.029 0.000 0.902 1107 Q CB 0.365 29.126 28.738 0.038 0.000 1.433 1107 Q HN 0.177 nan 8.270 nan 0.000 0.471 1108 T N 1.386 115.944 114.554 0.007 0.000 2.685 1108 T HA -0.183 4.167 4.350 0.000 0.000 0.268 1108 T C 0.935 175.644 174.700 0.016 0.000 1.034 1108 T CA 1.689 63.788 62.100 -0.001 0.000 1.149 1108 T CB 0.110 68.965 68.868 -0.022 0.000 0.860 1108 T HN 0.469 nan 8.240 nan 0.000 0.449 1109 D N 0.494 120.908 120.400 0.023 0.000 2.149 1109 D HA 0.009 4.649 4.640 0.000 0.000 0.201 1109 D C 2.041 178.362 176.300 0.035 0.000 0.972 1109 D CA 0.461 54.483 54.000 0.036 0.000 0.835 1109 D CB -0.340 40.486 40.800 0.043 0.000 0.966 1109 D HN 0.203 nan 8.370 nan 0.000 0.476 1110 L N 0.758 121.997 121.223 0.026 0.000 2.056 1110 L HA -0.080 4.260 4.340 0.000 0.000 0.207 1110 L C 2.230 179.106 176.870 0.010 0.000 1.078 1110 L CA 1.242 56.088 54.840 0.011 0.000 0.749 1110 L CB -0.489 41.572 42.059 0.004 0.000 0.901 1110 L HN -0.016 nan 8.230 nan 0.000 0.433 1111 L N -1.593 119.640 121.223 0.017 0.000 2.017 1111 L HA -0.238 4.102 4.340 0.000 0.000 0.208 1111 L C 2.405 179.297 176.870 0.037 0.000 1.073 1111 L CA 0.744 55.597 54.840 0.022 0.000 0.745 1111 L CB -0.648 41.423 42.059 0.021 0.000 0.894 1111 L HN 0.275 nan 8.230 nan 0.000 0.432 1112 L N -0.167 121.086 121.223 0.049 0.000 2.093 1112 L HA -0.127 4.214 4.340 0.000 0.000 0.208 1112 L C 2.741 179.645 176.870 0.055 0.000 1.085 1112 L CA 1.940 56.823 54.840 0.071 0.000 0.755 1112 L CB -1.390 40.721 42.059 0.088 0.000 0.904 1112 L HN 0.169 nan 8.230 nan 0.000 0.435 1113 A N -0.840 122.005 122.820 0.042 0.000 1.898 1113 A HA -0.098 4.222 4.320 0.000 0.000 0.216 1113 A C 2.492 180.091 177.584 0.025 0.000 1.181 1113 A CA 1.661 53.719 52.037 0.036 0.000 0.620 1113 A CB -0.750 18.266 19.000 0.028 0.000 0.819 1113 A HN 0.379 nan 8.150 nan 0.000 0.442 1114 A N -0.045 122.786 122.820 0.018 0.000 1.873 1114 A HA 0.184 4.504 4.320 0.000 0.000 0.215 1114 A C 2.535 180.136 177.584 0.028 0.000 1.186 1114 A CA 2.078 54.125 52.037 0.016 0.000 0.616 1114 A CB -1.149 17.857 19.000 0.010 0.000 0.823 1114 A HN 1.089 nan 8.150 nan 0.000 0.442 1115 A N 1.034 123.876 122.820 0.035 0.000 1.917 1115 A HA -0.236 4.084 4.320 0.000 0.000 0.219 1115 A C 2.085 179.687 177.584 0.031 0.000 1.182 1115 A CA 2.189 54.249 52.037 0.039 0.000 0.633 1115 A CB -0.602 18.429 19.000 0.053 0.000 0.819 1115 A HN 0.736 nan 8.150 nan 0.000 0.448 1116 K N -0.119 120.300 120.400 0.031 0.000 2.365 1116 K HA -0.081 4.239 4.320 0.000 0.000 0.199 1116 K C 1.593 178.206 176.600 0.022 0.000 1.045 1116 K CA 1.624 57.925 56.287 0.023 0.000 0.962 1116 K CB -0.800 31.715 32.500 0.025 0.000 0.759 1116 K HN 0.487 nan 8.250 nan 0.000 0.469 1117 T N -2.547 112.022 114.554 0.025 0.000 2.881 1117 T HA 0.033 4.383 4.350 0.000 0.000 0.270 1117 T C 1.734 176.448 174.700 0.023 0.000 1.068 1117 T CA 1.150 63.265 62.100 0.024 0.000 1.131 1117 T CB -0.451 68.432 68.868 0.025 0.000 0.871 1117 T HN 0.544 nan 8.240 nan 0.000 0.479 1118 G N 1.128 109.942 108.800 0.023 0.000 2.213 1118 G HA2 -0.214 3.747 3.960 0.000 0.000 0.236 1118 G HA3 -0.214 3.747 3.960 0.000 0.000 0.236 1118 G C 0.332 175.250 174.900 0.031 0.000 0.991 1118 G CA -0.097 45.017 45.100 0.023 0.000 0.629 1118 G HN 0.643 nan 8.290 nan 0.000 0.517 1119 R N 0.882 121.404 120.500 0.036 0.000 2.649 1119 R HA 0.714 5.054 4.340 0.000 0.000 0.270 1119 R C 0.887 177.223 176.300 0.060 0.000 1.105 1119 R CA 0.256 56.385 56.100 0.048 0.000 1.193 1119 R CB -0.019 30.309 30.300 0.047 0.000 1.120 1119 R HN 0.738 nan 8.270 nan 0.000 0.561 1120 A N 0.788 123.660 122.820 0.086 0.000 2.351 1120 A HA 0.435 4.755 4.320 0.000 0.000 0.257 1120 A C -0.323 177.338 177.584 0.129 0.000 1.087 1120 A CA -0.405 51.707 52.037 0.125 0.000 0.798 1120 A CB 0.606 19.737 19.000 0.217 0.000 1.033 1120 A HN 0.331 nan 8.150 nan 0.000 0.488 1121 V N 2.113 122.115 119.914 0.146 0.000 2.588 1121 V HA 0.405 4.525 4.120 0.000 0.000 0.304 1121 V C -0.529 175.677 176.094 0.187 0.000 1.042 1121 V CA -0.792 61.582 62.300 0.123 0.000 0.877 1121 V CB 1.828 33.692 31.823 0.069 0.000 0.996 1121 V HN 0.933 nan 8.190 nan 0.000 0.425 1122 N N 3.386 122.162 118.700 0.126 0.000 2.442 1122 N HA 0.518 5.258 4.740 0.000 0.000 0.274 1122 N C -1.205 174.317 175.510 0.019 0.000 1.002 1122 N CA -0.272 52.844 53.050 0.110 0.000 0.910 1122 N CB 1.864 40.368 38.487 0.029 0.000 1.244 1122 N HN 0.390 nan 8.380 nan 0.000 0.492 1123 V N 3.979 123.902 119.914 0.015 0.000 2.394 1123 V HA 0.383 4.503 4.120 0.000 0.000 0.282 1123 V C 0.222 176.261 176.094 -0.092 0.000 1.031 1123 V CA -0.831 61.447 62.300 -0.037 0.000 0.881 1123 V CB 1.175 32.987 31.823 -0.017 0.000 0.982 1123 V HN 0.472 nan 8.190 nan 0.000 0.451 1124 K N 3.843 124.150 120.400 -0.155 0.000 2.349 1124 K HA 0.200 4.520 4.320 0.000 0.000 0.288 1124 K C 0.069 176.539 176.600 -0.216 0.000 1.058 1124 K CA -0.276 55.872 56.287 -0.232 0.000 0.953 1124 K CB 0.847 33.154 32.500 -0.321 0.000 0.997 1124 K HN 0.642 nan 8.250 nan 0.000 0.477 1125 K N 1.851 122.120 120.400 -0.218 0.000 2.402 1125 K HA 0.076 4.396 4.320 0.000 0.000 0.285 1125 K C 0.306 176.689 176.600 -0.362 0.000 1.054 1125 K CA -0.107 56.033 56.287 -0.244 0.000 1.001 1125 K CB 0.347 32.722 32.500 -0.207 0.000 0.946 1125 K HN 0.692 nan 8.250 nan 0.000 0.473 1126 G N 3.303 111.796 108.800 -0.511 0.000 2.474 1126 G HA2 -0.105 3.855 3.960 0.000 0.000 0.233 1126 G HA3 -0.105 3.855 3.960 0.000 0.000 0.233 1126 G C 0.204 174.613 174.900 -0.818 0.000 1.278 1126 G CA -0.412 44.167 45.100 -0.869 0.000 0.861 1126 G HN 0.818 nan 8.290 nan 0.000 0.567 1127 Q N 0.698 120.200 119.800 -0.496 0.000 2.364 1127 Q HA -0.067 4.273 4.340 0.000 0.000 0.209 1127 Q C 1.704 177.616 176.000 -0.146 0.000 0.977 1127 Q CA 1.494 57.174 55.803 -0.204 0.000 0.885 1127 Q CB -0.205 28.556 28.738 0.040 0.000 0.941 1127 Q HN 0.838 nan 8.270 nan 0.000 0.464 1128 F N -2.785 117.176 119.950 0.018 0.000 2.721 1128 F HA 0.323 4.850 4.527 -0.000 0.000 0.301 1128 F C 0.348 176.124 175.800 -0.040 0.000 1.096 1128 F CA -0.857 57.144 58.000 0.001 0.000 1.308 1128 F CB 0.045 39.056 39.000 0.018 0.000 1.086 1128 F HN -0.105 nan 8.300 nan 0.000 0.587 1129 L N 2.125 123.077 121.223 -0.451 0.000 2.305 1129 L HA 0.700 5.040 4.340 0.000 0.000 0.281 1129 L C 0.330 177.024 176.870 -0.293 0.000 1.085 1129 L CA -1.113 53.562 54.840 -0.275 0.000 0.813 1129 L CB 0.773 42.605 42.059 -0.379 0.000 1.157 1129 L HN 0.216 nan 8.230 nan 0.000 0.436 1130 A N 6.306 128.925 122.820 -0.336 0.000 2.332 1130 A HA 0.491 4.812 4.320 0.000 0.000 0.258 1130 A C -1.788 175.384 177.584 -0.687 0.000 1.087 1130 A CA -0.903 50.730 52.037 -0.673 0.000 0.802 1130 A CB -0.258 18.145 19.000 -0.995 0.000 1.042 1130 A HN 0.768 nan 8.150 nan 0.000 0.489 1131 P HA -0.130 nan 4.420 nan 0.000 0.216 1131 P C 0.924 178.222 177.300 -0.004 0.000 1.153 1131 P CA 1.791 64.700 63.100 -0.318 0.000 0.848 1131 P CB -0.115 31.455 31.700 -0.217 0.000 0.787 1132 W N -0.568 120.867 121.300 0.225 0.000 2.699 1132 W HA 0.071 4.731 4.660 0.001 0.000 0.249 1132 W C 0.592 177.177 176.519 0.110 0.000 1.280 1132 W CA 0.446 57.989 57.345 0.330 0.000 1.345 1132 W CB -1.607 27.992 29.460 0.232 0.000 1.128 1132 W HN -0.119 nan 8.180 nan 0.000 0.642 1133 D N 0.733 121.132 120.400 -0.002 0.000 2.339 1133 D HA -0.055 4.585 4.640 0.000 0.000 0.217 1133 D C 1.865 178.111 176.300 -0.091 0.000 1.050 1133 D CA 1.466 55.451 54.000 -0.026 0.000 0.856 1133 D CB -0.123 40.656 40.800 -0.035 0.000 0.922 1133 D HN 0.348 nan 8.370 nan 0.000 0.518 1134 T N -2.152 112.374 114.554 -0.048 0.000 3.088 1134 T HA -0.013 4.337 4.350 0.000 0.000 0.259 1134 T C 1.724 176.239 174.700 -0.307 0.000 1.122 1134 T CA 0.224 62.299 62.100 -0.042 0.000 1.095 1134 T CB 0.313 69.284 68.868 0.171 0.000 0.930 1134 T HN 0.018 nan 8.240 nan 0.000 0.508 1135 K N 1.460 121.398 120.400 -0.769 0.000 2.063 1135 K HA -0.153 4.168 4.320 0.000 0.000 0.208 1135 K C 1.775 178.005 176.600 -0.617 0.000 1.048 1135 K CA 1.543 56.981 56.287 -1.415 0.000 0.928 1135 K CB -0.168 31.347 32.500 -1.641 0.000 0.713 1135 K HN 0.229 nan 8.250 nan 0.000 0.442 1136 N N 0.242 118.723 118.700 -0.365 0.000 2.409 1136 N HA -0.084 4.656 4.740 0.000 0.000 0.179 1136 N C 1.645 177.066 175.510 -0.148 0.000 1.032 1136 N CA 0.645 53.568 53.050 -0.212 0.000 0.898 1136 N CB 0.039 38.439 38.487 -0.146 0.000 0.971 1136 N HN 0.007 nan 8.380 nan 0.000 0.441 1137 V N 0.467 120.301 119.914 -0.134 0.000 2.427 1137 V HA -0.126 3.995 4.120 0.000 0.000 0.248 1137 V C 2.288 178.352 176.094 -0.051 0.000 1.051 1137 V CA 1.043 63.302 62.300 -0.069 0.000 1.048 1137 V CB -0.285 31.512 31.823 -0.042 0.000 0.666 1137 V HN 0.052 nan 8.190 nan 0.000 0.456 1138 V N -0.223 119.644 119.914 -0.077 0.000 2.379 1138 V HA -0.222 3.898 4.120 0.000 0.000 0.245 1138 V C 2.412 178.493 176.094 -0.022 0.000 1.044 1138 V CA 2.032 64.317 62.300 -0.023 0.000 1.036 1138 V CB -0.474 31.357 31.823 0.014 0.000 0.664 1138 V HN 0.641 nan 8.190 nan 0.000 0.453 1139 E N 0.491 120.650 120.200 -0.070 0.000 2.085 1139 E HA -0.279 4.071 4.350 0.000 0.000 0.194 1139 E C 2.249 178.858 176.600 0.016 0.000 0.994 1139 E CA 1.537 57.919 56.400 -0.031 0.000 0.801 1139 E CB -0.026 29.627 29.700 -0.078 0.000 0.743 1139 E HN 0.574 nan 8.360 nan 0.000 0.453 1140 K N 0.215 120.601 120.400 -0.022 0.000 2.032 1140 K HA -0.152 4.168 4.320 0.000 0.000 0.209 1140 K C 2.351 179.006 176.600 0.092 0.000 1.048 1140 K CA 1.417 57.701 56.287 -0.004 0.000 0.927 1140 K CB -0.205 32.272 32.500 -0.037 0.000 0.712 1140 K HN 0.210 nan 8.250 nan 0.000 0.441 1141 L N 1.235 122.494 121.223 0.060 0.000 2.012 1141 L HA -0.236 4.104 4.340 0.000 0.000 0.210 1141 L C 2.391 179.314 176.870 0.088 0.000 1.073 1141 L CA 1.505 56.387 54.840 0.070 0.000 0.748 1141 L CB -0.448 41.637 42.059 0.043 0.000 0.891 1141 L HN 0.185 nan 8.230 nan 0.000 0.431 1142 K N -0.506 119.944 120.400 0.084 0.000 2.063 1142 K HA -0.226 4.094 4.320 0.000 0.000 0.208 1142 K C 2.093 178.755 176.600 0.104 0.000 1.048 1142 K CA 1.650 57.982 56.287 0.075 0.000 0.928 1142 K CB -0.370 32.169 32.500 0.065 0.000 0.713 1142 K HN 0.106 nan 8.250 nan 0.000 0.442 1143 F N 1.355 121.301 119.950 -0.007 0.000 2.126 1143 F HA -0.161 4.366 4.527 -0.000 0.000 0.299 1143 F C 1.939 177.739 175.800 -0.001 0.000 1.096 1143 F CA 1.815 59.812 58.000 -0.005 0.000 1.255 1143 F CB -0.356 38.639 39.000 -0.008 0.000 0.997 1143 F HN 0.011 nan 8.300 nan 0.000 0.479 1144 G N -1.336 107.604 108.800 0.233 0.000 2.848 1144 G HA2 0.281 4.241 3.960 0.000 0.000 0.208 1144 G HA3 0.281 4.241 3.960 0.000 0.000 0.208 1144 G C 1.237 176.154 174.900 0.029 0.000 1.152 1144 G CA 0.377 45.553 45.100 0.127 0.000 0.789 1144 G HN 0.992 nan 8.290 nan 0.000 0.531 1145 G N -1.600 107.203 108.800 0.006 0.000 2.163 1145 G HA2 0.138 4.098 3.960 0.000 0.000 0.213 1145 G HA3 0.138 4.098 3.960 0.000 0.000 0.213 1145 G C 0.440 175.345 174.900 0.009 0.000 0.991 1145 G CA 0.067 45.162 45.100 -0.008 0.000 0.653 1145 G HN 1.282 nan 8.290 nan 0.000 0.518 1146 A N -0.027 122.807 122.820 0.024 0.000 2.409 1146 A HA 0.719 5.039 4.320 0.000 0.000 0.267 1146 A C 1.042 178.632 177.584 0.010 0.000 1.127 1146 A CA 0.932 52.982 52.037 0.021 0.000 0.795 1146 A CB 0.418 19.436 19.000 0.030 0.000 1.061 1146 A HN 0.378 nan 8.150 nan 0.000 0.502 1147 K N 0.632 121.034 120.400 0.003 0.000 2.370 1147 K HA 0.096 4.416 4.320 0.000 0.000 0.194 1147 K C -0.042 176.539 176.600 -0.032 0.000 1.070 1147 K CA 0.424 56.706 56.287 -0.009 0.000 0.998 1147 K CB 0.553 33.051 32.500 -0.004 0.000 0.911 1147 K HN 0.662 nan 8.250 nan 0.000 0.533 1148 E N 1.702 121.882 120.200 -0.035 0.000 2.207 1148 E HA 0.312 4.663 4.350 0.000 0.000 0.250 1148 E C -1.407 175.114 176.600 -0.131 0.000 0.890 1148 E CA -0.204 56.139 56.400 -0.095 0.000 0.749 1148 E CB 0.422 30.110 29.700 -0.019 0.000 1.193 1148 E HN 0.056 nan 8.360 nan 0.000 0.423 1149 I N 4.247 124.671 120.570 -0.243 0.000 2.474 1149 I HA 0.431 4.601 4.170 0.000 0.000 0.294 1149 I C -0.868 175.045 176.117 -0.341 0.000 1.005 1149 I CA -1.054 60.142 61.300 -0.173 0.000 1.113 1149 I CB 1.270 39.239 38.000 -0.051 0.000 1.289 1149 I HN 0.427 nan 8.210 nan 0.000 0.436 1150 Y N 5.268 125.574 120.300 0.011 0.000 2.499 1150 Y HA 0.661 5.211 4.550 0.001 0.000 0.347 1150 Y C -0.536 175.361 175.900 -0.006 0.000 0.987 1150 Y CA -0.832 57.266 58.100 -0.003 0.000 1.044 1150 Y CB 1.951 40.399 38.460 -0.020 0.000 1.245 1150 Y HN 0.270 nan 8.280 nan 0.000 0.461 1151 L N 2.268 123.584 121.223 0.154 0.000 2.356 1151 L HA 0.581 4.921 4.340 0.000 0.000 0.277 1151 L C -0.687 176.196 176.870 0.021 0.000 0.996 1151 L CA -0.541 54.341 54.840 0.070 0.000 0.822 1151 L CB 2.125 44.231 42.059 0.078 0.000 1.256 1151 L HN 0.651 nan 8.230 nan 0.000 0.413 1152 T N 1.386 115.909 114.554 -0.052 0.000 2.758 1152 T HA 0.215 4.565 4.350 0.000 0.000 0.285 1152 T C -0.349 174.261 174.700 -0.151 0.000 0.981 1152 T CA -0.418 61.613 62.100 -0.115 0.000 0.965 1152 T CB 1.444 70.186 68.868 -0.211 0.000 0.927 1152 T HN 0.392 nan 8.240 nan 0.000 0.448 1153 E N 2.776 122.909 120.200 -0.112 0.000 2.223 1153 E HA 0.265 4.615 4.350 0.000 0.000 0.282 1153 E C 0.498 176.977 176.600 -0.202 0.000 1.046 1153 E CA -0.489 55.841 56.400 -0.116 0.000 0.857 1153 E CB 0.429 30.130 29.700 0.002 0.000 1.055 1153 E HN 0.612 nan 8.360 nan 0.000 0.409 1154 R N 3.068 123.434 120.500 -0.223 0.000 2.592 1154 R HA 0.492 4.832 4.340 0.000 0.000 0.439 1154 R C 0.168 176.364 176.300 -0.173 0.000 0.995 1154 R CA -0.172 55.783 56.100 -0.241 0.000 1.141 1154 R CB 0.066 30.186 30.300 -0.300 0.000 1.495 1154 R HN 0.635 nan 8.270 nan 0.000 0.579 1155 G N -0.040 108.665 108.800 -0.159 0.000 2.662 1155 G HA2 -0.026 3.934 3.960 0.000 0.000 0.686 1155 G HA3 -0.026 3.934 3.960 0.000 0.000 0.686 1155 G C -0.864 173.955 174.900 -0.134 0.000 1.271 1155 G CA -0.441 44.579 45.100 -0.132 0.000 0.816 1155 G HN 0.200 nan 8.290 nan 0.000 0.608 1156 T N 0.758 115.252 114.554 -0.101 0.000 2.893 1156 T HA 0.675 5.025 4.350 0.000 0.000 0.291 1156 T C 0.398 175.111 174.700 0.021 0.000 1.028 1156 T CA -0.054 62.003 62.100 -0.071 0.000 0.995 1156 T CB 1.718 70.531 68.868 -0.093 0.000 1.051 1156 T HN 0.867 nan 8.240 nan 0.000 0.470 1157 T N 2.813 117.402 114.554 0.058 0.000 2.867 1157 T HA 0.233 4.583 4.350 0.000 0.000 0.297 1157 T C -0.811 173.990 174.700 0.168 0.000 0.989 1157 T CA 0.377 62.545 62.100 0.113 0.000 1.159 1157 T CB -0.413 68.524 68.868 0.115 0.000 0.928 1157 T HN 0.422 nan 8.240 nan 0.000 0.538 1158 F N 3.733 123.669 119.950 -0.024 0.000 2.810 1158 F HA 0.522 5.049 4.527 0.000 0.000 0.373 1158 F C 0.648 176.410 175.800 -0.062 0.000 1.174 1158 F CA 0.024 57.997 58.000 -0.045 0.000 1.141 1158 F CB -0.013 38.964 39.000 -0.039 0.000 1.420 1158 F HN 0.940 nan 8.300 nan 0.000 0.518 1159 G N 2.951 111.534 108.800 -0.360 0.000 2.698 1159 G HA2 -0.289 3.672 3.960 0.000 0.000 0.233 1159 G HA3 -0.289 3.672 3.960 0.000 0.000 0.233 1159 G C -1.293 173.449 174.900 -0.264 0.000 1.352 1159 G CA -0.435 44.394 45.100 -0.452 0.000 0.879 1159 G HN 0.547 nan 8.290 nan 0.000 0.567 1160 Y N 1.394 121.664 120.300 -0.049 0.000 2.301 1160 Y HA 0.443 4.994 4.550 0.000 0.000 0.325 1160 Y C 1.575 177.487 175.900 0.020 0.000 1.203 1160 Y CA -0.348 57.749 58.100 -0.006 0.000 1.255 1160 Y CB 0.856 39.310 38.460 -0.010 0.000 1.232 1160 Y HN 0.665 nan 8.280 nan 0.000 0.501 1161 N N 1.583 120.419 118.700 0.225 0.000 2.708 1161 N HA -0.327 4.413 4.740 0.000 0.000 0.249 1161 N C -0.774 174.815 175.510 0.133 0.000 1.097 1161 N CA 1.067 54.207 53.050 0.150 0.000 0.710 1161 N CB -1.110 37.451 38.487 0.122 0.000 1.032 1161 N HN 0.873 nan 8.380 nan 0.000 0.551 1162 N N -0.351 118.433 118.700 0.140 0.000 2.405 1162 N HA 0.520 5.260 4.740 0.000 0.000 0.274 1162 N C -1.467 174.140 175.510 0.162 0.000 1.170 1162 N CA -0.530 52.609 53.050 0.148 0.000 0.848 1162 N CB 1.594 40.187 38.487 0.176 0.000 1.629 1162 N HN -0.034 nan 8.380 nan 0.000 0.481 1163 L N 2.042 123.337 121.223 0.120 0.000 2.354 1163 L HA 0.698 5.038 4.340 0.000 0.000 0.269 1163 L C -0.639 176.229 176.870 -0.004 0.000 1.005 1163 L CA -0.997 53.887 54.840 0.074 0.000 0.819 1163 L CB 2.040 44.117 42.059 0.030 0.000 1.311 1163 L HN 0.273 nan 8.230 nan 0.000 0.423 1164 V N 2.585 122.447 119.914 -0.086 0.000 2.864 1164 V HA 0.570 4.690 4.120 0.000 0.000 0.314 1164 V C -0.811 175.156 176.094 -0.212 0.000 1.073 1164 V CA -0.506 61.648 62.300 -0.243 0.000 0.956 1164 V CB 2.675 34.156 31.823 -0.570 0.000 1.023 1164 V HN 0.407 nan 8.190 nan 0.000 0.435 1165 V N 4.545 124.316 119.914 -0.238 0.000 2.347 1165 V HA 0.383 4.503 4.120 0.000 0.000 0.280 1165 V C -0.440 175.420 176.094 -0.390 0.000 1.021 1165 V CA -0.463 61.622 62.300 -0.359 0.000 0.847 1165 V CB 1.428 32.940 31.823 -0.519 0.000 0.990 1165 V HN 0.918 nan 8.190 nan 0.000 0.444 1166 D N 4.109 124.313 120.400 -0.326 0.000 2.479 1166 D HA 0.245 4.885 4.640 0.000 0.000 0.218 1166 D C 0.737 176.911 176.300 -0.211 0.000 1.131 1166 D CA -0.404 53.480 54.000 -0.192 0.000 0.916 1166 D CB 0.439 41.159 40.800 -0.134 0.000 1.022 1166 D HN 0.392 nan 8.370 nan 0.000 0.515 1167 F N 1.728 121.633 119.950 -0.075 0.000 2.529 1167 F HA -0.040 4.487 4.527 0.000 0.000 0.297 1167 F C 2.236 178.003 175.800 -0.056 0.000 1.114 1167 F CA 0.520 58.473 58.000 -0.079 0.000 1.467 1167 F CB -0.009 38.928 39.000 -0.105 0.000 1.096 1167 F HN 0.281 nan 8.300 nan 0.000 0.586 1168 R N -0.288 120.264 120.500 0.087 0.000 2.237 1168 R HA -0.129 4.211 4.340 0.000 0.000 0.219 1168 R C 2.482 178.803 176.300 0.036 0.000 1.080 1168 R CA 1.237 57.379 56.100 0.070 0.000 0.995 1168 R CB -0.471 29.880 30.300 0.086 0.000 0.875 1168 R HN 0.353 nan 8.270 nan 0.000 0.462 1169 S N 0.509 116.199 115.700 -0.017 0.000 2.402 1169 S HA -0.097 4.373 4.470 0.000 0.000 0.229 1169 S C 1.869 176.439 174.600 -0.050 0.000 1.021 1169 S CA 0.648 58.818 58.200 -0.050 0.000 0.974 1169 S CB -0.104 63.027 63.200 -0.114 0.000 0.800 1169 S HN 0.068 nan 8.310 nan 0.000 0.484 1170 L N 2.754 123.960 121.223 -0.027 0.000 1.989 1170 L HA 0.034 4.374 4.340 0.000 0.000 0.211 1170 L C -0.469 176.356 176.870 -0.074 0.000 1.071 1170 L CA 1.962 56.785 54.840 -0.028 0.000 0.749 1170 L CB -1.613 40.462 42.059 0.028 0.000 0.890 1170 L HN 0.302 nan 8.230 nan 0.000 0.431 1171 P HA -0.109 nan 4.420 nan 0.000 0.223 1171 P C 2.015 179.222 177.300 -0.156 0.000 1.151 1171 P CA 1.404 64.447 63.100 -0.095 0.000 0.787 1171 P CB 0.163 31.834 31.700 -0.049 0.000 0.788 1172 I N -0.558 119.933 120.570 -0.131 0.000 2.193 1172 I HA -0.168 4.002 4.170 0.000 0.000 0.240 1172 I C 2.713 178.514 176.117 -0.526 0.000 1.084 1172 I CA 1.437 62.618 61.300 -0.199 0.000 1.365 1172 I CB -0.628 37.391 38.000 0.032 0.000 1.064 1172 I HN -0.199 nan 8.210 nan 0.000 0.410 1173 M N 0.165 119.555 119.600 -0.349 0.000 2.358 1173 M HA -0.175 4.306 4.480 0.000 0.000 0.264 1173 M C 2.060 177.991 176.300 -0.615 0.000 1.064 1173 M CA 1.175 56.210 55.300 -0.441 0.000 1.093 1173 M CB -0.374 32.183 32.600 -0.072 0.000 1.401 1173 M HN 0.002 nan 8.290 nan 0.000 0.440 1174 K N 1.083 121.232 120.400 -0.419 0.000 2.362 1174 K HA -0.118 4.202 4.320 0.000 0.000 0.200 1174 K C 1.611 177.987 176.600 -0.374 0.000 1.046 1174 K CA 1.348 57.452 56.287 -0.305 0.000 0.952 1174 K CB -0.159 32.222 32.500 -0.198 0.000 0.753 1174 K HN 0.413 nan 8.250 nan 0.000 0.466 1175 Q N -1.246 118.165 119.800 -0.648 0.000 2.224 1175 Q HA -0.117 4.223 4.340 0.000 0.000 0.203 1175 Q C 0.474 176.324 176.000 -0.251 0.000 0.970 1175 Q CA 1.611 57.105 55.803 -0.516 0.000 0.865 1175 Q CB -0.021 28.275 28.738 -0.737 0.000 0.922 1175 Q HN 0.639 nan 8.270 nan 0.000 0.445 1176 W N -2.638 118.664 121.300 0.004 0.000 2.324 1176 W HA 0.707 5.367 4.660 -0.000 0.000 0.316 1176 W C -0.192 176.312 176.519 -0.025 0.000 0.927 1176 W CA -0.238 57.104 57.345 -0.005 0.000 1.438 1176 W CB 0.217 29.681 29.460 0.007 0.000 1.085 1176 W HN -0.117 nan 8.180 nan 0.000 0.532 1177 A N 0.596 123.445 122.820 0.048 0.000 2.566 1177 A HA 0.591 4.912 4.320 0.000 0.000 0.290 1177 A C -1.150 176.401 177.584 -0.056 0.000 1.071 1177 A CA -1.254 50.795 52.037 0.020 0.000 0.658 1177 A CB 0.886 19.948 19.000 0.104 0.000 1.285 1177 A HN 0.022 nan 8.150 nan 0.000 0.427 1178 K N 0.303 120.642 120.400 -0.102 0.000 2.270 1178 K HA 0.516 4.836 4.320 0.000 0.000 0.276 1178 K C -0.758 175.874 176.600 0.054 0.000 1.023 1178 K CA -0.136 56.119 56.287 -0.054 0.000 0.955 1178 K CB 1.203 33.625 32.500 -0.131 0.000 0.975 1178 K HN 0.392 nan 8.250 nan 0.000 0.471 1179 V N 4.691 124.631 119.914 0.044 0.000 2.513 1179 V HA 0.367 4.487 4.120 0.000 0.000 0.299 1179 V C -0.294 175.832 176.094 0.052 0.000 1.035 1179 V CA -0.875 61.452 62.300 0.045 0.000 0.889 1179 V CB 1.467 33.286 31.823 -0.005 0.000 0.988 1179 V HN 0.579 nan 8.190 nan 0.000 0.440 1180 I N 4.196 124.794 120.570 0.046 0.000 2.465 1180 I HA 0.341 4.511 4.170 0.000 0.000 0.291 1180 I C -0.831 175.318 176.117 0.053 0.000 1.014 1180 I CA -0.833 60.472 61.300 0.009 0.000 1.093 1180 I CB 1.650 39.621 38.000 -0.048 0.000 1.267 1180 I HN 0.673 nan 8.210 nan 0.000 0.431 1181 Y N 5.510 125.808 120.300 -0.004 0.000 2.341 1181 Y HA 0.287 4.837 4.550 0.000 0.000 0.340 1181 Y C 0.181 176.110 175.900 0.049 0.000 0.997 1181 Y CA -0.645 57.467 58.100 0.020 0.000 1.149 1181 Y CB 0.681 39.199 38.460 0.097 0.000 1.171 1181 Y HN 0.503 nan 8.280 nan 0.000 0.494 1182 D N 5.316 125.284 120.400 -0.720 0.000 2.374 1182 D HA 0.196 4.837 4.640 0.000 0.000 0.240 1182 D C 0.576 176.376 176.300 -0.833 0.000 1.229 1182 D CA 0.341 54.011 54.000 -0.551 0.000 0.895 1182 D CB 1.254 41.748 40.800 -0.510 0.000 1.046 1182 D HN 0.817 nan 8.370 nan 0.000 0.498 1183 A N 3.141 125.691 122.820 -0.450 0.000 2.119 1183 A HA -0.060 4.260 4.320 0.000 0.000 0.217 1183 A C 1.920 179.470 177.584 -0.056 0.000 1.153 1183 A CA 1.012 52.941 52.037 -0.181 0.000 0.692 1183 A CB 0.097 19.183 19.000 0.143 0.000 0.799 1183 A HN 0.559 nan 8.150 nan 0.000 0.458 1184 T N -1.248 113.251 114.554 -0.091 0.000 2.953 1184 T HA 0.016 4.366 4.350 0.000 0.000 0.247 1184 T C 1.601 176.175 174.700 -0.209 0.000 1.029 1184 T CA 1.456 63.468 62.100 -0.146 0.000 1.144 1184 T CB -0.324 68.411 68.868 -0.221 0.000 0.870 1184 T HN 0.715 nan 8.240 nan 0.000 0.446 1185 H N 0.671 119.691 119.070 -0.082 0.000 2.529 1185 H HA 0.236 4.792 4.556 0.000 0.000 0.277 1185 H C 2.263 177.530 175.328 -0.101 0.000 0.999 1185 H CA 0.644 56.628 56.048 -0.106 0.000 1.256 1185 H CB 0.106 29.751 29.762 -0.195 0.000 1.402 1185 H HN 0.163 nan 8.280 nan 0.000 0.566 1186 S N 0.266 115.949 115.700 -0.029 0.000 2.515 1186 S HA -0.068 4.402 4.470 0.000 0.000 0.231 1186 S C 1.812 176.440 174.600 0.047 0.000 0.987 1186 S CA 1.007 59.198 58.200 -0.016 0.000 0.936 1186 S CB 0.062 63.249 63.200 -0.022 0.000 0.766 1186 S HN 0.459 nan 8.310 nan 0.000 0.528 1187 V N -1.545 118.413 119.914 0.075 0.000 3.528 1187 V HA 0.326 4.446 4.120 0.000 0.000 0.294 1187 V C 0.225 176.384 176.094 0.110 0.000 1.404 1187 V CA -0.421 61.950 62.300 0.119 0.000 1.065 1187 V CB -0.450 31.494 31.823 0.201 0.000 0.904 1187 V HN 0.185 nan 8.190 nan 0.000 0.435 1188 Q N 1.036 120.885 119.800 0.081 0.000 2.394 1188 Q HA 0.567 4.907 4.340 0.000 0.000 0.248 1188 Q C -0.834 175.220 176.000 0.090 0.000 0.992 1188 Q CA -0.096 55.758 55.803 0.085 0.000 0.888 1188 Q CB 1.718 30.511 28.738 0.092 0.000 1.257 1188 Q HN 0.510 nan 8.270 nan 0.000 0.462 1189 L N 3.968 125.246 121.223 0.093 0.000 2.313 1189 L HA 0.360 4.700 4.340 0.000 0.000 0.273 1189 L C -2.187 174.740 176.870 0.095 0.000 1.028 1189 L CA -2.212 52.685 54.840 0.096 0.000 0.871 1189 L CB 0.970 43.087 42.059 0.096 0.000 1.242 1189 L HN 0.341 nan 8.230 nan 0.000 0.434 1190 P HA 0.050 nan 4.420 nan 0.000 0.258 1190 P C 0.614 177.974 177.300 0.099 0.000 1.172 1190 P CA 0.787 63.955 63.100 0.113 0.000 0.762 1190 P CB 0.484 32.267 31.700 0.138 0.000 0.764 1199 G N 0.014 109.112 108.800 0.495 0.000 2.843 1199 G HA2 0.242 4.202 3.960 0.000 0.000 0.205 1199 G HA3 0.242 4.202 3.960 0.000 0.000 0.205 1199 G C 1.287 176.288 174.900 0.168 0.000 1.160 1199 G CA 1.585 46.817 45.100 0.220 0.000 0.819 1199 G HN 1.034 nan 8.290 nan 0.000 0.516 1200 M N -1.950 117.832 119.600 0.305 0.000 7.319 1200 M HA -0.423 4.058 4.480 0.000 0.000 0.264 1200 M C 2.020 178.417 176.300 0.162 0.000 0.480 1200 M CA 2.382 57.817 55.300 0.225 0.000 1.311 1200 M CB -1.066 31.607 32.600 0.122 0.000 0.421 1200 M HN 0.303 nan 8.290 nan 0.000 0.364 1201 R N 1.251 121.786 120.500 0.058 0.000 2.134 1201 R HA -0.227 4.113 4.340 0.000 0.000 0.248 1201 R C 1.904 178.185 176.300 -0.031 0.000 1.143 1201 R CA 2.695 58.807 56.100 0.019 0.000 0.957 1201 R CB -0.480 29.816 30.300 -0.006 0.000 0.867 1201 R HN 0.746 nan 8.270 nan 0.000 0.441 1202 E N -0.694 119.396 120.200 -0.185 0.000 2.401 1202 E HA -0.198 4.152 4.350 0.000 0.000 0.199 1202 E C 1.045 177.415 176.600 -0.385 0.000 1.023 1202 E CA 1.086 57.285 56.400 -0.337 0.000 0.859 1202 E CB -0.190 29.184 29.700 -0.545 0.000 0.780 1202 E HN 0.541 nan 8.360 nan 0.000 0.523 1203 F N 0.373 120.376 119.950 0.087 0.000 2.721 1203 F HA 0.295 4.822 4.527 0.000 0.000 0.301 1203 F C 1.925 177.811 175.800 0.144 0.000 1.096 1203 F CA -0.476 57.584 58.000 0.099 0.000 1.308 1203 F CB 0.146 39.198 39.000 0.086 0.000 1.086 1203 F HN -0.090 nan 8.300 nan 0.000 0.587 1204 I N 0.132 120.870 120.570 0.280 0.000 2.091 1204 I HA -0.385 3.785 4.170 0.000 0.000 0.239 1204 I C 2.477 178.803 176.117 0.349 0.000 1.061 1204 I CA 1.940 63.403 61.300 0.271 0.000 1.317 1204 I CB -0.494 37.610 38.000 0.174 0.000 1.031 1204 I HN 0.189 nan 8.210 nan 0.000 0.401 1205 F N 2.374 122.392 119.950 0.112 0.000 2.102 1205 F HA -0.147 4.380 4.527 0.000 0.000 0.298 1205 F C -0.297 175.558 175.800 0.092 0.000 1.105 1205 F CA 1.018 59.071 58.000 0.089 0.000 1.239 1205 F CB -0.965 38.063 39.000 0.046 0.000 0.991 1205 F HN 0.029 nan 8.300 nan 0.000 0.474 1206 P HA -0.173 nan 4.420 nan 0.000 0.216 1206 P C 1.862 179.175 177.300 0.023 0.000 1.153 1206 P CA 1.513 64.585 63.100 -0.046 0.000 0.848 1206 P CB -0.240 31.478 31.700 0.030 0.000 0.787 1207 L N -0.846 120.475 121.223 0.164 0.000 2.083 1207 L HA -0.110 4.230 4.340 0.000 0.000 0.209 1207 L C 2.792 179.718 176.870 0.094 0.000 1.083 1207 L CA 1.084 56.031 54.840 0.179 0.000 0.752 1207 L CB -0.805 41.469 42.059 0.359 0.000 0.899 1207 L HN -0.113 nan 8.230 nan 0.000 0.433 1208 I N -0.145 120.578 120.570 0.254 0.000 2.361 1208 I HA -0.297 3.874 4.170 0.000 0.000 0.251 1208 I C 2.802 178.983 176.117 0.107 0.000 1.133 1208 I CA 1.199 62.669 61.300 0.282 0.000 1.413 1208 I CB -0.044 38.211 38.000 0.426 0.000 1.073 1208 I HN 0.235 nan 8.210 nan 0.000 0.424 1209 R N 0.479 121.000 120.500 0.035 0.000 2.075 1209 R HA -0.126 4.214 4.340 0.000 0.000 0.232 1209 R C 2.362 178.566 176.300 -0.159 0.000 1.126 1209 R CA 1.359 57.418 56.100 -0.067 0.000 0.963 1209 R CB -0.499 29.686 30.300 -0.191 0.000 0.858 1209 R HN 0.415 nan 8.270 nan 0.000 0.435 1210 A N 1.622 124.273 122.820 -0.282 0.000 1.883 1210 A HA -0.155 4.165 4.320 0.000 0.000 0.217 1210 A C 2.436 179.685 177.584 -0.559 0.000 1.186 1210 A CA 1.788 53.493 52.037 -0.553 0.000 0.624 1210 A CB -0.731 17.695 19.000 -0.956 0.000 0.822 1210 A HN 0.391 nan 8.150 nan 0.000 0.444 1211 A N -0.039 122.540 122.820 -0.402 0.000 1.873 1211 A HA -0.125 4.195 4.320 0.000 0.000 0.218 1211 A C 2.329 179.893 177.584 -0.033 0.000 1.193 1211 A CA 2.875 54.824 52.037 -0.146 0.000 0.629 1211 A CB -1.437 17.400 19.000 -0.271 0.000 0.826 1211 A HN 1.190 nan 8.150 nan 0.000 0.447 1212 V N -2.672 117.250 119.914 0.014 0.000 2.667 1212 V HA 0.075 4.195 4.120 0.000 0.000 0.252 1212 V C 2.472 178.630 176.094 0.107 0.000 1.065 1212 V CA 1.607 63.955 62.300 0.081 0.000 1.083 1212 V CB -1.414 30.434 31.823 0.041 0.000 0.692 1212 V HN 0.544 nan 8.190 nan 0.000 0.468 1213 A N 0.597 123.424 122.820 0.012 0.000 1.897 1213 A HA -0.019 4.301 4.320 0.000 0.000 0.215 1213 A C 2.355 180.005 177.584 0.111 0.000 1.181 1213 A CA 1.910 53.974 52.037 0.046 0.000 0.620 1213 A CB -0.743 18.210 19.000 -0.077 0.000 0.821 1213 A HN 0.396 nan 8.150 nan 0.000 0.443 1214 V N -0.712 119.184 119.914 -0.029 0.000 2.295 1214 V HA 0.205 4.325 4.120 0.000 0.000 0.246 1214 V C 1.357 177.405 176.094 -0.077 0.000 1.049 1214 V CA 1.441 63.725 62.300 -0.027 0.000 1.024 1214 V CB -1.372 30.419 31.823 -0.053 0.000 0.648 1214 V HN 1.313 nan 8.190 nan 0.000 0.447 1215 G N -0.682 108.012 108.800 -0.176 0.000 3.326 1215 G HA2 0.127 4.087 3.960 0.000 0.000 0.681 1215 G HA3 0.127 4.087 3.960 0.000 0.000 0.681 1215 G C -0.796 173.935 174.900 -0.283 0.000 1.255 1215 G CA -0.664 44.067 45.100 -0.615 0.000 0.976 1215 G HN 1.085 nan 8.290 nan 0.000 0.563 1216 C N 0.195 119.427 119.300 -0.114 0.000 3.332 1216 C HA 0.872 5.332 4.460 0.000 0.000 0.329 1216 C C 0.460 175.495 174.990 0.075 0.000 1.434 1216 C CA -0.457 58.566 59.018 0.008 0.000 1.314 1216 C CB 1.806 29.606 27.740 0.101 0.000 1.664 1216 C HN 0.664 nan 8.230 nan 0.000 0.457 1217 D N 0.319 120.709 120.400 -0.016 0.000 2.349 1217 D HA 0.411 5.051 4.640 0.000 0.000 0.214 1217 D C 0.727 176.736 176.300 -0.486 0.000 1.063 1217 D CA 1.179 55.126 54.000 -0.088 0.000 0.847 1217 D CB 1.028 41.826 40.800 -0.003 0.000 0.933 1217 D HN 1.122 nan 8.370 nan 0.000 0.513 1218 G N 0.245 108.670 108.800 -0.625 0.000 2.338 1218 G HA2 0.400 4.361 3.960 0.000 0.000 0.295 1218 G HA3 0.400 4.361 3.960 0.000 0.000 0.295 1218 G C -1.478 173.195 174.900 -0.377 0.000 1.461 1218 G CA -0.474 44.047 45.100 -0.964 0.000 0.817 1218 G HN 0.051 nan 8.290 nan 0.000 0.556 1219 V N -2.083 117.682 119.914 -0.249 0.000 2.962 1219 V HA 0.907 5.028 4.120 0.000 0.000 0.313 1219 V C -1.138 174.976 176.094 0.034 0.000 1.099 1219 V CA -1.255 61.075 62.300 0.050 0.000 0.971 1219 V CB 1.916 33.879 31.823 0.234 0.000 1.028 1219 V HN 1.353 nan 8.190 nan 0.000 0.430 1220 F N 4.081 123.959 119.950 -0.119 0.000 2.467 1220 F HA 0.896 5.423 4.527 0.000 0.000 0.336 1220 F C -0.583 175.142 175.800 -0.125 0.000 1.123 1220 F CA -1.240 56.678 58.000 -0.137 0.000 0.964 1220 F CB 1.947 40.855 39.000 -0.153 0.000 1.136 1220 F HN 0.623 nan 8.300 nan 0.000 0.447 1221 M N 5.765 125.203 119.600 -0.270 0.000 2.224 1221 M HA 0.273 4.753 4.480 0.000 0.000 0.281 1221 M C -1.140 174.960 176.300 -0.334 0.000 1.025 1221 M CA -0.501 54.700 55.300 -0.166 0.000 0.954 1221 M CB 2.449 34.997 32.600 -0.087 0.000 1.639 1221 M HN 0.528 nan 8.290 nan 0.000 0.461 1222 E N 1.949 122.023 120.200 -0.210 0.000 2.223 1222 E HA 0.274 4.624 4.350 0.000 0.000 0.282 1222 E C -0.459 176.069 176.600 -0.120 0.000 1.046 1222 E CA -0.048 56.233 56.400 -0.197 0.000 0.857 1222 E CB 1.602 31.247 29.700 -0.092 0.000 1.055 1222 E HN 0.415 nan 8.360 nan 0.000 0.409 1223 T N 2.740 117.219 114.554 -0.124 0.000 2.863 1223 T HA 0.242 4.592 4.350 0.000 0.000 0.285 1223 T C -1.433 173.270 174.700 0.005 0.000 1.009 1223 T CA -0.633 61.433 62.100 -0.056 0.000 0.989 1223 T CB 1.023 69.844 68.868 -0.078 0.000 1.004 1223 T HN 0.413 nan 8.240 nan 0.000 0.455 1224 H N 3.848 122.885 119.070 -0.055 0.000 2.865 1224 H HA 0.369 4.925 4.556 0.000 0.000 0.362 1224 H C -2.403 172.910 175.328 -0.025 0.000 1.114 1224 H CA -1.814 54.214 56.048 -0.033 0.000 1.208 1224 H CB 2.644 32.390 29.762 -0.027 0.000 1.727 1224 H HN 0.325 nan 8.280 nan 0.000 0.534 1225 P HA -0.122 nan 4.420 nan 0.000 0.216 1225 P C -0.674 176.745 177.300 0.199 0.000 1.154 1225 P CA 1.569 64.758 63.100 0.148 0.000 0.865 1225 P CB 0.410 32.147 31.700 0.063 0.000 0.789 1226 E N -2.541 117.870 120.200 0.352 0.000 2.914 1226 E HA 0.150 4.500 4.350 0.000 0.000 0.246 1226 E C -2.222 174.255 176.600 -0.206 0.000 1.146 1226 E CA -1.589 54.847 56.400 0.060 0.000 0.803 1226 E CB 1.177 30.904 29.700 0.044 0.000 1.409 1226 E HN 0.068 nan 8.360 nan 0.000 0.392 1227 P HA -0.283 nan 4.420 nan 0.000 0.217 1227 P C 0.982 178.144 177.300 -0.230 0.000 1.148 1227 P CA 1.360 64.315 63.100 -0.242 0.000 0.834 1227 P CB 0.152 31.798 31.700 -0.090 0.000 0.783 1228 E N 0.019 120.131 120.200 -0.147 0.000 2.401 1228 E HA -0.167 4.184 4.350 0.000 0.000 0.199 1228 E C 1.114 177.640 176.600 -0.123 0.000 1.023 1228 E CA 0.995 57.332 56.400 -0.105 0.000 0.859 1228 E CB -0.547 29.116 29.700 -0.063 0.000 0.780 1228 E HN 0.328 nan 8.360 nan 0.000 0.523 1229 K N 0.205 120.486 120.400 -0.198 0.000 2.438 1229 K HA 0.310 4.630 4.320 0.000 0.000 0.206 1229 K C 0.237 176.699 176.600 -0.230 0.000 1.081 1229 K CA 0.028 56.216 56.287 -0.165 0.000 1.053 1229 K CB 1.237 33.683 32.500 -0.089 0.000 0.908 1229 K HN 0.081 nan 8.250 nan 0.000 0.556 1230 A N 1.065 123.638 122.820 -0.412 0.000 2.448 1230 A HA 0.104 4.424 4.320 0.000 0.000 0.239 1230 A C 0.937 178.449 177.584 -0.119 0.000 1.080 1230 A CA 0.081 51.928 52.037 -0.317 0.000 0.779 1230 A CB 0.138 18.949 19.000 -0.314 0.000 1.026 1230 A HN 0.283 nan 8.150 nan 0.000 0.499 1231 L N 0.669 121.846 121.223 -0.077 0.000 2.592 1231 L HA 0.136 4.476 4.340 0.000 0.000 0.227 1231 L C 0.538 177.452 176.870 0.073 0.000 1.127 1231 L CA 0.815 55.599 54.840 -0.094 0.000 0.884 1231 L CB -0.497 41.285 42.059 -0.462 0.000 1.065 1231 L HN 0.818 nan 8.230 nan 0.000 0.457 1232 S N -2.983 112.766 115.700 0.082 0.000 2.542 1232 S HA 0.308 4.778 4.470 0.000 0.000 0.276 1232 S C -0.600 174.044 174.600 0.073 0.000 1.148 1232 S CA -0.874 57.392 58.200 0.111 0.000 0.886 1232 S CB 1.819 65.126 63.200 0.177 0.000 1.109 1232 S HN 0.130 nan 8.310 nan 0.000 0.458 1233 D N 0.388 120.825 120.400 0.063 0.000 2.772 1233 D HA -0.175 4.466 4.640 0.000 0.000 0.233 1233 D C 1.230 177.530 176.300 -0.001 0.000 1.143 1233 D CA 1.193 55.215 54.000 0.038 0.000 0.700 1233 D CB -1.382 39.441 40.800 0.040 0.000 1.076 1233 D HN 0.926 nan 8.370 nan 0.000 0.430 1234 A N -0.546 122.264 122.820 -0.017 0.000 1.933 1234 A HA -0.154 4.166 4.320 0.000 0.000 0.218 1234 A C 2.270 179.827 177.584 -0.045 0.000 1.175 1234 A CA 1.892 53.893 52.037 -0.061 0.000 0.628 1234 A CB -0.073 18.888 19.000 -0.066 0.000 0.814 1234 A HN 0.300 nan 8.150 nan 0.000 0.444 1235 S N -0.927 114.763 115.700 -0.016 0.000 2.527 1235 S HA -0.018 4.452 4.470 0.000 0.000 0.222 1235 S C 1.656 176.255 174.600 -0.001 0.000 0.985 1235 S CA 1.282 59.478 58.200 -0.006 0.000 0.921 1235 S CB -0.073 63.134 63.200 0.012 0.000 0.772 1235 S HN 0.883 nan 8.310 nan 0.000 0.529 1236 T N -1.316 113.233 114.554 -0.008 0.000 2.959 1236 T HA 0.236 4.586 4.350 0.000 0.000 0.254 1236 T C 0.416 175.097 174.700 -0.032 0.000 1.003 1236 T CA -0.287 61.805 62.100 -0.014 0.000 0.950 1236 T CB -0.002 68.851 68.868 -0.025 0.000 1.090 1236 T HN 0.143 nan 8.240 nan 0.000 0.503 1237 Q N 1.415 121.196 119.800 -0.032 0.000 2.313 1237 Q HA 0.386 4.726 4.340 0.000 0.000 0.266 1237 Q C -0.751 175.239 176.000 -0.017 0.000 0.989 1237 Q CA -0.497 55.291 55.803 -0.025 0.000 0.890 1237 Q CB 1.172 29.913 28.738 0.005 0.000 1.200 1237 Q HN 0.316 nan 8.270 nan 0.000 0.396 1238 L N 5.603 126.813 121.223 -0.021 0.000 2.380 1238 L HA 0.252 4.592 4.340 0.000 0.000 0.273 1238 L C -2.368 174.497 176.870 -0.008 0.000 1.138 1238 L CA -1.414 53.413 54.840 -0.021 0.000 0.832 1238 L CB 0.609 42.646 42.059 -0.036 0.000 1.124 1238 L HN 0.391 nan 8.230 nan 0.000 0.454 1239 P HA -0.002 nan 4.420 nan 0.000 0.267 1239 P C 0.384 177.682 177.300 -0.004 0.000 1.205 1239 P CA -0.212 62.891 63.100 0.004 0.000 0.765 1239 P CB 0.715 32.412 31.700 -0.006 0.000 0.828 1240 L N 4.608 125.836 121.223 0.008 0.000 2.129 1240 L HA -0.251 4.089 4.340 0.000 0.000 0.212 1240 L C 1.995 178.855 176.870 -0.016 0.000 1.087 1240 L CA 2.442 57.276 54.840 -0.011 0.000 0.757 1240 L CB -1.302 40.749 42.059 -0.013 0.000 0.896 1240 L HN 0.381 nan 8.230 nan 0.000 0.434 1241 S N -1.974 113.720 115.700 -0.011 0.000 2.447 1241 S HA -0.203 4.267 4.470 0.000 0.000 0.233 1241 S C 1.742 176.330 174.600 -0.020 0.000 1.006 1241 S CA 1.044 59.236 58.200 -0.013 0.000 0.957 1241 S CB -0.485 62.710 63.200 -0.009 0.000 0.773 1241 S HN 0.701 nan 8.310 nan 0.000 0.507 1242 Q N -0.136 119.644 119.800 -0.033 0.000 2.392 1242 Q HA 0.296 4.637 4.340 0.000 0.000 0.203 1242 Q C 1.754 177.710 176.000 -0.074 0.000 0.917 1242 Q CA 0.013 55.779 55.803 -0.062 0.000 0.939 1242 Q CB -0.162 28.525 28.738 -0.085 0.000 1.063 1242 Q HN 0.416 nan 8.270 nan 0.000 0.516 1243 L N 1.682 122.880 121.223 -0.041 0.000 2.012 1243 L HA -0.259 4.081 4.340 0.000 0.000 0.210 1243 L C 2.252 179.128 176.870 0.009 0.000 1.073 1243 L CA 2.122 56.948 54.840 -0.023 0.000 0.748 1243 L CB -0.447 41.613 42.059 0.001 0.000 0.891 1243 L HN 0.248 nan 8.230 nan 0.000 0.431 1244 E N -1.172 119.064 120.200 0.061 0.000 2.058 1244 E HA -0.213 4.137 4.350 0.000 0.000 0.194 1244 E C 2.091 178.754 176.600 0.105 0.000 0.997 1244 E CA 1.335 57.836 56.400 0.168 0.000 0.801 1244 E CB -0.562 29.237 29.700 0.165 0.000 0.746 1244 E HN 0.587 nan 8.360 nan 0.000 0.450 1245 G N 1.519 110.327 108.800 0.012 0.000 2.421 1245 G HA2 -0.228 3.732 3.960 0.000 0.000 0.216 1245 G HA3 -0.228 3.732 3.960 0.000 0.000 0.216 1245 G C 1.561 176.378 174.900 -0.138 0.000 1.171 1245 G CA 0.987 46.063 45.100 -0.039 0.000 0.775 1245 G HN 0.236 nan 8.290 nan 0.000 0.543 1246 I N 1.192 121.611 120.570 -0.251 0.000 2.163 1246 I HA -0.145 4.025 4.170 0.000 0.000 0.243 1246 I C 2.854 178.874 176.117 -0.162 0.000 1.085 1246 I CA 0.996 62.086 61.300 -0.350 0.000 1.347 1246 I CB -1.097 36.721 38.000 -0.303 0.000 1.044 1246 I HN 0.198 nan 8.210 nan 0.000 0.408 1247 I N 0.661 121.134 120.570 -0.162 0.000 2.127 1247 I HA -0.319 3.852 4.170 0.000 0.000 0.241 1247 I C 2.638 178.532 176.117 -0.372 0.000 1.075 1247 I CA 1.673 62.797 61.300 -0.293 0.000 1.334 1247 I CB -0.464 37.261 38.000 -0.458 0.000 1.040 1247 I HN 0.203 nan 8.210 nan 0.000 0.405 1248 E N 1.606 121.639 120.200 -0.279 0.000 2.097 1248 E HA -0.259 4.091 4.350 0.000 0.000 0.196 1248 E C 2.033 178.615 176.600 -0.030 0.000 1.000 1248 E CA 2.011 58.372 56.400 -0.066 0.000 0.804 1248 E CB -0.232 29.574 29.700 0.176 0.000 0.740 1248 E HN 0.442 nan 8.360 nan 0.000 0.454 1249 A N 1.145 123.971 122.820 0.010 0.000 1.902 1249 A HA -0.123 4.197 4.320 0.000 0.000 0.217 1249 A C 2.410 180.022 177.584 0.046 0.000 1.181 1249 A CA 1.777 53.872 52.037 0.096 0.000 0.623 1249 A CB -1.009 18.168 19.000 0.296 0.000 0.818 1249 A HN 0.559 nan 8.150 nan 0.000 0.443 1250 I N -2.806 117.763 120.570 -0.003 0.000 2.546 1250 I HA -0.106 4.064 4.170 0.000 0.000 0.255 1250 I C 2.031 178.014 176.117 -0.224 0.000 1.163 1250 I CA 1.113 62.370 61.300 -0.072 0.000 1.457 1250 I CB -0.474 37.497 38.000 -0.048 0.000 1.092 1250 I HN 0.191 nan 8.210 nan 0.000 0.434 1251 L N 1.102 122.175 121.223 -0.249 0.000 2.093 1251 L HA -0.124 4.216 4.340 0.000 0.000 0.208 1251 L C 2.657 179.441 176.870 -0.143 0.000 1.085 1251 L CA 1.463 56.146 54.840 -0.261 0.000 0.755 1251 L CB -0.497 41.441 42.059 -0.202 0.000 0.904 1251 L HN 0.295 nan 8.230 nan 0.000 0.435 1252 E N 0.304 120.457 120.200 -0.079 0.000 2.028 1252 E HA -0.180 4.170 4.350 0.000 0.000 0.190 1252 E C 2.298 178.866 176.600 -0.052 0.000 0.984 1252 E CA 1.106 57.482 56.400 -0.041 0.000 0.800 1252 E CB -0.035 29.663 29.700 -0.004 0.000 0.758 1252 E HN 0.427 nan 8.360 nan 0.000 0.448 1253 I N 0.919 121.459 120.570 -0.049 0.000 2.226 1253 I HA -0.289 3.881 4.170 0.000 0.000 0.245 1253 I C 2.755 178.840 176.117 -0.053 0.000 1.100 1253 I CA 1.037 62.311 61.300 -0.044 0.000 1.374 1253 I CB -0.300 37.680 38.000 -0.034 0.000 1.057 1253 I HN 0.063 nan 8.210 nan 0.000 0.413 1254 R N 1.069 121.517 120.500 -0.086 0.000 2.083 1254 R HA -0.274 4.066 4.340 0.000 0.000 0.237 1254 R C 2.243 178.477 176.300 -0.110 0.000 1.137 1254 R CA 2.205 58.264 56.100 -0.067 0.000 0.951 1254 R CB -0.175 29.991 30.300 -0.223 0.000 0.851 1254 R HN 0.249 nan 8.270 nan 0.000 0.434 1255 E N 0.105 120.236 120.200 -0.115 0.000 2.051 1255 E HA -0.156 4.194 4.350 0.000 0.000 0.192 1255 E C 1.821 178.339 176.600 -0.136 0.000 0.991 1255 E CA 1.542 57.873 56.400 -0.115 0.000 0.799 1255 E CB -0.423 29.231 29.700 -0.077 0.000 0.748 1255 E HN 0.205 nan 8.360 nan 0.000 0.449 1256 V N -0.048 119.808 119.914 -0.096 0.000 2.515 1256 V HA -0.092 4.028 4.120 0.000 0.000 0.250 1256 V C 1.990 178.040 176.094 -0.073 0.000 1.058 1256 V CA 2.036 64.294 62.300 -0.071 0.000 1.064 1256 V CB -0.368 31.440 31.823 -0.025 0.000 0.675 1256 V HN 0.433 nan 8.190 nan 0.000 0.461 1257 A N 0.060 122.812 122.820 -0.112 0.000 1.975 1257 A HA -0.065 4.255 4.320 0.000 0.000 0.215 1257 A C 2.491 179.739 177.584 -0.560 0.000 1.170 1257 A CA 1.560 53.526 52.037 -0.117 0.000 0.656 1257 A CB -0.770 18.221 19.000 -0.016 0.000 0.821 1257 A HN 0.832 nan 8.150 nan 0.000 0.449 1258 S N 1.762 116.915 115.700 -0.912 0.000 2.392 1258 S HA -0.334 4.136 4.470 0.000 0.000 0.232 1258 S C 1.827 175.957 174.600 -0.783 0.000 1.041 1258 S CA 1.857 59.226 58.200 -1.386 0.000 1.026 1258 S CB -0.705 62.145 63.200 -0.583 0.000 0.845 1258 S HN 0.798 nan 8.310 nan 0.000 0.465 1259 K N 0.233 120.278 120.400 -0.591 0.000 2.362 1259 K HA -0.063 4.257 4.320 0.000 0.000 0.200 1259 K C 1.191 177.462 176.600 -0.548 0.000 1.046 1259 K CA 1.268 57.225 56.287 -0.550 0.000 0.952 1259 K CB -0.522 31.577 32.500 -0.668 0.000 0.753 1259 K HN 0.602 nan 8.250 nan 0.000 0.466 1260 Y N 0.127 120.306 120.300 -0.201 0.000 2.462 1260 Y HA 0.177 4.727 4.550 0.000 0.000 0.261 1260 Y C 0.051 175.987 175.900 0.060 0.000 1.146 1260 Y CA -1.033 57.025 58.100 -0.071 0.000 1.283 1260 Y CB 0.136 38.556 38.460 -0.066 0.000 1.090 1260 Y HN -0.088 nan 8.280 nan 0.000 0.526 1261 Y N 2.401 122.751 120.300 0.083 0.000 2.721 1261 Y HA -0.026 4.524 4.550 0.000 0.000 0.329 1261 Y C 0.527 176.450 175.900 0.038 0.000 1.211 1261 Y CA -0.755 57.377 58.100 0.052 0.000 1.512 1261 Y CB 0.344 38.821 38.460 0.029 0.000 1.249 1261 Y HN 0.102 nan 8.280 nan 0.000 0.549 1262 E N 1.505 121.816 120.200 0.186 0.000 2.390 1262 E HA 0.108 4.458 4.350 0.000 0.000 0.261 1262 E C -0.434 176.206 176.600 0.066 0.000 1.076 1262 E CA -0.094 56.366 56.400 0.099 0.000 0.905 1262 E CB 0.549 30.285 29.700 0.060 0.000 0.984 1262 E HN 0.386 nan 8.360 nan 0.000 0.427 1263 T N 2.673 117.253 114.554 0.045 0.000 2.743 1263 T HA 0.394 4.744 4.350 0.000 0.000 0.293 1263 T C 0.336 175.038 174.700 0.004 0.000 0.945 1263 T CA -0.571 61.544 62.100 0.026 0.000 1.030 1263 T CB -0.204 68.679 68.868 0.025 0.000 0.912 1263 T HN 0.351 nan 8.240 nan 0.000 0.483 1264 I N 0.000 120.561 120.570 -0.015 0.000 2.984 1264 I HA 0.000 4.170 4.170 0.000 0.000 0.288 1264 I CA 0.000 61.277 61.300 -0.039 0.000 1.566 1264 I CB 0.000 37.951 38.000 -0.082 0.000 1.214 1264 I HN 0.000 nan 8.210 nan 0.000 0.494