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 1c0k_1_A DATA FIRST_RESID 999 DATA SEQUENCE LMMHSQKRVV VLGSGVIGLS SALILARKGY SVHILARDLP EDVSSQTFAS DATA SEQUENCE PWAGANWTPF MTLTDGPRQA KWEESTFKKW VELVPTGHAM WLKGTRRFAQ DATA SEQUENCE NEDGLLGHWY KDITPNYRPL PSSECPPGAI GVTYDTLSVH APKYCQYLAR DATA SEQUENCE ELQKLGATFE RRTVTSLEQA FDGADLVVNA TGLGAKSIAG IDDQAAEPIR DATA SEQUENCE GQTVLVKSPC KRCTMDSSDP ASPAYIIPRP GGEVICGGTY GVGDWDLSVN DATA SEQUENCE PETVQRILKH CLRLDPTISS DGTIEGIEVL RHNVGLRPAR RGGPRVEAER DATA SEQUENCE IVLPLDRTKS PLSLGRGSAR AAKEKEVTLV HAYGFSSAGY QQSWGAAEDV DATA SEQUENCE AQLVDEAFQR YHG 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 999 L HA 0.000 nan 4.340 nan 0.000 0.249 999 L C 0.000 176.835 176.870 -0.058 0.000 1.165 999 L CA 0.000 54.842 54.840 0.003 0.000 0.813 999 L CB 0.000 42.062 42.059 0.004 0.000 0.961 1000 M N 2.206 121.726 119.600 -0.133 0.000 2.342 1000 M HA 0.519 4.999 4.480 0.000 0.000 0.332 1000 M C 0.493 176.492 176.300 -0.502 0.000 1.166 1000 M CA -0.157 54.962 55.300 -0.302 0.000 1.086 1000 M CB 1.725 34.115 32.600 -0.351 0.000 1.541 1000 M HN 0.519 nan 8.290 nan 0.000 0.462 1001 M N 3.542 122.937 119.600 -0.343 0.000 2.156 1001 M HA 0.174 4.654 4.480 0.000 0.000 0.345 1001 M C -1.038 175.076 176.300 -0.310 0.000 1.398 1001 M CA -0.048 55.098 55.300 -0.257 0.000 1.148 1001 M CB 0.083 32.610 32.600 -0.121 0.000 1.663 1001 M HN 0.542 nan 8.290 nan 0.000 0.464 1002 H N 2.118 121.187 119.070 -0.000 0.000 2.483 1002 H HA 0.204 4.760 4.556 0.000 0.000 0.338 1002 H C -0.135 175.194 175.328 0.002 0.000 1.152 1002 H CA -0.453 55.595 56.048 0.000 0.000 1.264 1002 H CB 1.609 31.374 29.762 0.006 0.000 1.510 1002 H HN 0.657 nan 8.280 nan 0.000 0.530 1003 S N 0.598 116.376 115.700 0.131 0.000 2.560 1003 S HA -0.031 4.439 4.470 0.000 0.000 0.284 1003 S C 0.651 175.307 174.600 0.092 0.000 1.327 1003 S CA -0.218 58.022 58.200 0.067 0.000 1.055 1003 S CB 0.331 63.554 63.200 0.038 0.000 0.868 1003 S HN 0.606 nan 8.310 nan 0.000 0.506 1004 Q N 2.528 122.376 119.800 0.079 0.000 2.189 1004 Q HA 0.240 4.580 4.340 0.000 0.000 0.221 1004 Q C -0.295 175.830 176.000 0.208 0.000 0.848 1004 Q CA 0.058 55.942 55.803 0.134 0.000 1.007 1004 Q CB 0.466 29.279 28.738 0.125 0.000 1.116 1004 Q HN 0.569 nan 8.270 nan 0.000 0.481 1005 K N 0.977 121.441 120.400 0.106 0.000 3.237 1005 K HA 0.272 4.592 4.320 0.000 0.000 0.197 1005 K C -0.643 176.053 176.600 0.160 0.000 1.133 1005 K CA -0.195 56.116 56.287 0.039 0.000 0.944 1005 K CB 0.903 33.160 32.500 -0.405 0.000 0.952 1005 K HN -0.029 nan 8.250 nan 0.000 0.515 1006 R N 1.279 121.915 120.500 0.226 0.000 2.340 1006 R HA 0.310 4.650 4.340 0.000 0.000 0.300 1006 R C -0.255 176.161 176.300 0.193 0.000 1.069 1006 R CA -0.367 55.830 56.100 0.162 0.000 0.984 1006 R CB 1.396 31.759 30.300 0.104 0.000 1.003 1006 R HN 0.046 nan 8.270 nan 0.000 0.459 1007 V N 2.096 122.067 119.914 0.094 0.000 3.007 1007 V HA 0.551 4.671 4.120 0.000 0.000 0.311 1007 V C -0.984 175.086 176.094 -0.041 0.000 1.120 1007 V CA -0.735 61.575 62.300 0.017 0.000 0.980 1007 V CB 2.461 34.244 31.823 -0.067 0.000 1.033 1007 V HN 0.426 nan 8.190 nan 0.000 0.429 1008 V N 5.327 125.182 119.914 -0.098 0.000 2.435 1008 V HA 0.547 4.667 4.120 0.000 0.000 0.290 1008 V C -0.231 175.752 176.094 -0.184 0.000 1.030 1008 V CA -0.441 61.780 62.300 -0.131 0.000 0.881 1008 V CB 1.848 33.575 31.823 -0.160 0.000 0.983 1008 V HN 0.791 nan 8.190 nan 0.000 0.445 1009 V N 6.160 125.959 119.914 -0.191 0.000 2.347 1009 V HA 0.373 4.493 4.120 0.000 0.000 0.280 1009 V C -0.292 175.696 176.094 -0.176 0.000 1.021 1009 V CA -0.533 61.657 62.300 -0.184 0.000 0.847 1009 V CB 1.502 33.213 31.823 -0.186 0.000 0.990 1009 V HN 0.644 nan 8.190 nan 0.000 0.444 1010 L N 5.725 126.860 121.223 -0.147 0.000 2.259 1010 L HA 0.861 5.201 4.340 0.000 0.000 0.288 1010 L C 0.350 177.178 176.870 -0.071 0.000 1.051 1010 L CA 0.807 55.575 54.840 -0.120 0.000 0.824 1010 L CB 0.354 42.338 42.059 -0.125 0.000 1.206 1010 L HN 0.932 nan 8.230 nan 0.000 0.429 1011 G N 2.667 111.428 108.800 -0.065 0.000 2.841 1011 G HA2 0.035 3.995 3.960 0.000 0.000 0.684 1011 G HA3 0.035 3.995 3.960 0.000 0.000 0.684 1011 G C -0.362 174.534 174.900 -0.007 0.000 1.273 1011 G CA -0.253 44.834 45.100 -0.021 0.000 0.811 1011 G HN 0.690 nan 8.290 nan 0.000 0.631 1012 S N 0.753 116.471 115.700 0.029 0.000 2.941 1012 S HA 0.561 5.031 4.470 0.000 0.000 0.251 1012 S C 1.258 175.975 174.600 0.195 0.000 1.029 1012 S CA 1.009 59.264 58.200 0.092 0.000 1.062 1012 S CB -0.592 62.672 63.200 0.107 0.000 0.977 1012 S HN 1.796 nan 8.310 nan 0.000 0.552 1013 G N 0.360 109.299 108.800 0.230 0.000 2.553 1013 G HA2 0.328 4.288 3.960 0.000 0.000 0.278 1013 G HA3 0.328 4.288 3.960 0.000 0.000 0.278 1013 G C 1.141 176.095 174.900 0.091 0.000 1.349 1013 G CA 0.037 45.306 45.100 0.283 0.000 1.037 1013 G HN 0.333 nan 8.290 nan 0.000 0.508 1014 V N -0.102 119.786 119.914 -0.045 0.000 2.469 1014 V HA -0.129 3.991 4.120 0.000 0.000 0.251 1014 V C 2.538 178.553 176.094 -0.133 0.000 1.064 1014 V CA 1.391 63.602 62.300 -0.149 0.000 1.066 1014 V CB -0.498 30.960 31.823 -0.608 0.000 0.667 1014 V HN 0.527 nan 8.190 nan 0.000 0.461 1015 I N 0.693 121.160 120.570 -0.170 0.000 2.233 1015 I HA -0.049 4.122 4.170 0.000 0.000 0.243 1015 I C 2.691 178.730 176.117 -0.130 0.000 1.093 1015 I CA 1.706 62.870 61.300 -0.227 0.000 1.380 1015 I CB -2.022 35.808 38.000 -0.283 0.000 1.067 1015 I HN 0.404 nan 8.210 nan 0.000 0.413 1016 G N 1.110 109.878 108.800 -0.053 0.000 2.418 1016 G HA2 -0.172 3.788 3.960 0.000 0.000 0.217 1016 G HA3 -0.172 3.788 3.960 0.000 0.000 0.217 1016 G C 1.865 176.725 174.900 -0.066 0.000 1.158 1016 G CA 0.360 45.428 45.100 -0.054 0.000 0.771 1016 G HN 0.284 nan 8.290 nan 0.000 0.545 1017 L N 0.717 121.928 121.223 -0.020 0.000 2.046 1017 L HA -0.083 4.257 4.340 0.000 0.000 0.208 1017 L C 3.216 180.064 176.870 -0.036 0.000 1.077 1017 L CA 1.279 56.117 54.840 -0.003 0.000 0.747 1017 L CB -0.352 41.739 42.059 0.052 0.000 0.896 1017 L HN 0.170 nan 8.230 nan 0.000 0.432 1018 S N -0.750 114.929 115.700 -0.035 0.000 2.368 1018 S HA -0.158 4.312 4.470 0.000 0.000 0.224 1018 S C 2.201 176.673 174.600 -0.213 0.000 1.029 1018 S CA 1.476 59.647 58.200 -0.048 0.000 0.988 1018 S CB -0.140 63.059 63.200 -0.002 0.000 0.838 1018 S HN 0.342 nan 8.310 nan 0.000 0.462 1019 S N 1.867 117.439 115.700 -0.213 0.000 2.356 1019 S HA -0.076 4.394 4.470 0.000 0.000 0.223 1019 S C 2.298 176.770 174.600 -0.213 0.000 1.032 1019 S CA 1.045 59.102 58.200 -0.238 0.000 1.005 1019 S CB -0.582 62.502 63.200 -0.194 0.000 0.867 1019 S HN 0.611 nan 8.310 nan 0.000 0.449 1020 A N 1.259 123.975 122.820 -0.174 0.000 1.908 1020 A HA -0.072 4.248 4.320 0.000 0.000 0.218 1020 A C 2.130 179.629 177.584 -0.140 0.000 1.181 1020 A CA 1.444 53.379 52.037 -0.170 0.000 0.627 1020 A CB -0.686 18.202 19.000 -0.187 0.000 0.818 1020 A HN 0.414 nan 8.150 nan 0.000 0.445 1021 L N -0.060 121.094 121.223 -0.116 0.000 2.056 1021 L HA -0.043 4.297 4.340 0.000 0.000 0.207 1021 L C 2.204 179.031 176.870 -0.072 0.000 1.078 1021 L CA 1.651 56.454 54.840 -0.062 0.000 0.749 1021 L CB -0.428 41.643 42.059 0.020 0.000 0.901 1021 L HN 0.434 nan 8.230 nan 0.000 0.433 1022 I N -1.139 119.318 120.570 -0.188 0.000 2.315 1022 I HA -0.304 3.866 4.170 0.000 0.000 0.248 1022 I C 2.332 178.388 176.117 -0.101 0.000 1.117 1022 I CA 1.090 62.272 61.300 -0.196 0.000 1.404 1022 I CB -0.280 37.479 38.000 -0.403 0.000 1.071 1022 I HN 0.275 nan 8.210 nan 0.000 0.419 1023 L N 0.533 121.681 121.223 -0.124 0.000 2.056 1023 L HA -0.177 4.163 4.340 0.000 0.000 0.207 1023 L C 2.880 179.794 176.870 0.073 0.000 1.078 1023 L CA 1.318 56.121 54.840 -0.060 0.000 0.749 1023 L CB -0.696 41.221 42.059 -0.235 0.000 0.901 1023 L HN 0.221 nan 8.230 nan 0.000 0.433 1024 A N 0.184 123.002 122.820 -0.003 0.000 1.902 1024 A HA -0.205 4.115 4.320 0.000 0.000 0.217 1024 A C 2.361 179.953 177.584 0.012 0.000 1.181 1024 A CA 1.465 53.505 52.037 0.006 0.000 0.623 1024 A CB -0.475 18.506 19.000 -0.030 0.000 0.818 1024 A HN 0.330 nan 8.150 nan 0.000 0.443 1025 R N -0.369 120.140 120.500 0.014 0.000 2.152 1025 R HA -0.061 4.279 4.340 0.000 0.000 0.232 1025 R C 1.633 177.942 176.300 0.016 0.000 1.117 1025 R CA 1.411 57.525 56.100 0.023 0.000 0.981 1025 R CB -0.199 30.130 30.300 0.049 0.000 0.870 1025 R HN 0.446 nan 8.270 nan 0.000 0.451 1026 K N -0.554 119.867 120.400 0.035 0.000 2.487 1026 K HA 0.046 4.366 4.320 0.000 0.000 0.192 1026 K C 0.767 177.307 176.600 -0.100 0.000 1.027 1026 K CA 0.563 56.860 56.287 0.017 0.000 1.054 1026 K CB 0.637 33.213 32.500 0.127 0.000 0.824 1026 K HN 0.394 nan 8.250 nan 0.000 0.510 1027 G N 0.466 109.217 108.800 -0.082 0.000 2.159 1027 G HA2 -0.265 3.695 3.960 0.000 0.000 0.227 1027 G HA3 -0.265 3.695 3.960 0.000 0.000 0.227 1027 G C -0.282 174.472 174.900 -0.243 0.000 0.986 1027 G CA -0.396 44.607 45.100 -0.162 0.000 0.651 1027 G HN 0.210 nan 8.290 nan 0.000 0.523 1028 Y N 1.041 121.254 120.300 -0.146 0.000 2.379 1028 Y HA 0.504 5.054 4.550 0.000 0.000 0.337 1028 Y C 1.223 177.056 175.900 -0.112 0.000 1.238 1028 Y CA 0.588 58.586 58.100 -0.171 0.000 1.405 1028 Y CB 1.298 39.626 38.460 -0.219 0.000 1.310 1028 Y HN 0.121 nan 8.280 nan 0.000 0.569 1029 S N 2.472 118.212 115.700 0.068 0.000 2.399 1029 S HA 0.476 4.946 4.470 0.000 0.000 0.301 1029 S C -1.031 173.589 174.600 0.033 0.000 1.093 1029 S CA -0.672 57.548 58.200 0.033 0.000 1.077 1029 S CB -0.585 62.631 63.200 0.027 0.000 0.980 1029 S HN 0.421 nan 8.310 nan 0.000 0.494 1030 V N 6.785 126.697 119.914 -0.005 0.000 2.398 1030 V HA 0.427 4.547 4.120 0.000 0.000 0.286 1030 V C 0.061 176.127 176.094 -0.047 0.000 1.026 1030 V CA -0.787 61.483 62.300 -0.049 0.000 0.868 1030 V CB 1.412 33.168 31.823 -0.111 0.000 0.982 1030 V HN 0.862 nan 8.190 nan 0.000 0.443 1031 H N 5.182 124.155 119.070 -0.162 0.000 2.547 1031 H HA 0.575 5.131 4.556 0.000 0.000 0.342 1031 H C -1.277 173.917 175.328 -0.223 0.000 1.048 1031 H CA -0.760 55.176 56.048 -0.187 0.000 1.204 1031 H CB 1.712 31.404 29.762 -0.118 0.000 1.493 1031 H HN 0.554 nan 8.280 nan 0.000 0.511 1032 I N 6.673 126.802 120.570 -0.735 0.000 2.321 1032 I HA 0.168 4.338 4.170 0.000 0.000 0.291 1032 I C -0.376 175.403 176.117 -0.564 0.000 0.998 1032 I CA -0.451 60.503 61.300 -0.577 0.000 1.227 1032 I CB 1.325 38.947 38.000 -0.630 0.000 1.368 1032 I HN 0.324 nan 8.210 nan 0.000 0.466 1033 L N 6.832 127.847 121.223 -0.346 0.000 2.296 1033 L HA 0.865 5.205 4.340 0.000 0.000 0.286 1033 L C -0.134 176.660 176.870 -0.127 0.000 1.023 1033 L CA -0.336 54.377 54.840 -0.212 0.000 0.812 1033 L CB 1.532 43.510 42.059 -0.135 0.000 1.223 1033 L HN 0.748 nan 8.230 nan 0.000 0.421 1034 A N 3.022 125.789 122.820 -0.089 0.000 2.605 1034 A HA 0.437 4.757 4.320 0.000 0.000 0.294 1034 A C 0.167 177.696 177.584 -0.091 0.000 1.062 1034 A CA -0.684 51.302 52.037 -0.084 0.000 0.682 1034 A CB 1.651 20.602 19.000 -0.082 0.000 1.278 1034 A HN 0.797 nan 8.150 nan 0.000 0.410 1035 R N 0.299 120.733 120.500 -0.109 0.000 2.073 1035 R HA -0.021 4.319 4.340 0.000 0.000 0.229 1035 R C -0.698 175.495 176.300 -0.178 0.000 1.120 1035 R CA 1.547 57.581 56.100 -0.110 0.000 0.967 1035 R CB 0.117 30.368 30.300 -0.082 0.000 0.862 1035 R HN 0.770 nan 8.270 nan 0.000 0.436 1036 D N 0.913 121.110 120.400 -0.339 0.000 2.408 1036 D HA 0.270 4.910 4.640 0.000 0.000 0.243 1036 D C -0.643 175.303 176.300 -0.591 0.000 1.075 1036 D CA -0.282 53.334 54.000 -0.640 0.000 0.832 1036 D CB 2.146 42.088 40.800 -1.429 0.000 1.162 1036 D HN 0.121 nan 8.370 nan 0.000 0.515 1037 L N 1.994 123.020 121.223 -0.329 0.000 2.286 1037 L HA 0.326 4.666 4.340 0.000 0.000 0.265 1037 L C -1.625 175.240 176.870 -0.008 0.000 1.012 1037 L CA -2.227 52.530 54.840 -0.139 0.000 0.818 1037 L CB 2.050 44.032 42.059 -0.129 0.000 1.337 1037 L HN 0.017 nan 8.230 nan 0.000 0.438 1038 P HA -0.161 nan 4.420 nan 0.000 0.221 1038 P C 0.864 178.187 177.300 0.038 0.000 1.145 1038 P CA 0.878 64.021 63.100 0.072 0.000 0.795 1038 P CB 0.120 31.809 31.700 -0.019 0.000 0.775 1039 E N -0.815 119.370 120.200 -0.024 0.000 2.418 1039 E HA -0.099 4.251 4.350 0.000 0.000 0.197 1039 E C -0.140 176.473 176.600 0.022 0.000 1.026 1039 E CA 0.792 57.180 56.400 -0.020 0.000 0.862 1039 E CB -0.733 28.935 29.700 -0.054 0.000 0.799 1039 E HN 0.254 nan 8.360 nan 0.000 0.518 1040 D N 2.455 122.900 120.400 0.075 0.000 2.713 1040 D HA 0.017 4.657 4.640 0.000 0.000 0.229 1040 D C 1.313 177.707 176.300 0.155 0.000 1.136 1040 D CA 0.007 54.081 54.000 0.123 0.000 1.010 1040 D CB 0.953 41.825 40.800 0.121 0.000 1.084 1040 D HN 0.123 nan 8.370 nan 0.000 0.495 1041 V N -0.812 119.119 119.914 0.029 0.000 3.380 1041 V HA -0.056 4.064 4.120 0.000 0.000 0.268 1041 V C 1.339 177.287 176.094 -0.243 0.000 1.168 1041 V CA 1.089 63.321 62.300 -0.113 0.000 1.156 1041 V CB -0.485 31.288 31.823 -0.083 0.000 0.785 1041 V HN 0.283 nan 8.190 nan 0.000 0.487 1042 S N -1.191 114.488 115.700 -0.035 0.000 2.749 1042 S HA 0.308 4.778 4.470 0.000 0.000 0.246 1042 S C 0.630 175.485 174.600 0.424 0.000 1.023 1042 S CA 0.290 58.563 58.200 0.123 0.000 1.012 1042 S CB 0.029 63.354 63.200 0.209 0.000 0.942 1042 S HN 0.527 nan 8.310 nan 0.000 0.531 1043 S N 1.361 117.282 115.700 0.368 0.000 2.505 1043 S HA 0.242 4.712 4.470 0.000 0.000 0.276 1043 S C 0.790 175.831 174.600 0.736 0.000 1.274 1043 S CA -0.430 58.062 58.200 0.487 0.000 1.053 1043 S CB 0.774 64.244 63.200 0.450 0.000 0.919 1043 S HN 0.542 nan 8.310 nan 0.000 0.490 1044 Q N 2.456 122.584 119.800 0.547 0.000 2.403 1044 Q HA 0.024 4.364 4.340 0.000 0.000 0.203 1044 Q C 1.230 177.452 176.000 0.371 0.000 0.932 1044 Q CA 0.620 56.672 55.803 0.414 0.000 0.945 1044 Q CB 0.063 28.870 28.738 0.115 0.000 1.045 1044 Q HN 0.934 nan 8.270 nan 0.000 0.511 1045 T N -1.754 113.048 114.554 0.414 0.000 3.188 1045 T HA 0.227 4.577 4.350 0.000 0.000 0.250 1045 T C 0.150 175.113 174.700 0.437 0.000 1.077 1045 T CA -0.425 61.876 62.100 0.336 0.000 0.967 1045 T CB -0.501 68.498 68.868 0.218 0.000 1.006 1045 T HN 0.284 nan 8.240 nan 0.000 0.552 1046 F N -2.617 117.476 119.950 0.238 0.000 2.711 1046 F HA 0.799 5.326 4.527 0.000 0.000 0.313 1046 F C 0.781 176.771 175.800 0.318 0.000 1.141 1046 F CA -1.571 56.558 58.000 0.214 0.000 0.941 1046 F CB 0.908 39.999 39.000 0.150 0.000 1.349 1046 F HN -0.162 nan 8.300 nan 0.000 0.464 1047 A N 0.694 123.640 122.820 0.210 0.000 1.997 1047 A HA 0.119 4.439 4.320 0.000 0.000 0.212 1047 A C 1.801 179.390 177.584 0.008 0.000 1.178 1047 A CA 1.110 53.266 52.037 0.199 0.000 0.698 1047 A CB -1.000 18.117 19.000 0.195 0.000 0.842 1047 A HN 0.733 nan 8.150 nan 0.000 0.458 1048 S N 0.899 116.427 115.700 -0.285 0.000 2.400 1048 S HA -0.081 4.389 4.470 0.000 0.000 0.232 1048 S C -0.645 173.771 174.600 -0.306 0.000 1.025 1048 S CA 1.688 59.798 58.200 -0.151 0.000 0.993 1048 S CB -0.975 62.161 63.200 -0.107 0.000 0.808 1048 S HN 0.474 nan 8.310 nan 0.000 0.478 1049 P HA -0.040 nan 4.420 nan 0.000 0.222 1049 P C 0.328 177.166 177.300 -0.771 0.000 1.147 1049 P CA 0.860 63.417 63.100 -0.905 0.000 0.790 1049 P CB -0.124 30.676 31.700 -1.499 0.000 0.780 1050 W N -0.960 120.279 121.300 -0.103 0.000 3.220 1050 W HA 0.430 5.090 4.660 0.000 0.000 0.328 1050 W C 0.964 177.441 176.519 -0.070 0.000 1.205 1050 W CA -0.511 56.791 57.345 -0.071 0.000 1.773 1050 W CB -0.128 29.302 29.460 -0.049 0.000 1.086 1050 W HN -0.192 nan 8.180 nan 0.000 0.622 1051 A N 0.552 123.385 122.820 0.023 0.000 2.313 1051 A HA 0.538 4.858 4.320 0.000 0.000 0.261 1051 A C 1.675 179.157 177.584 -0.169 0.000 1.090 1051 A CA 0.291 52.290 52.037 -0.063 0.000 0.807 1051 A CB 0.089 18.974 19.000 -0.191 0.000 1.055 1051 A HN 0.277 nan 8.150 nan 0.000 0.492 1052 G N 0.150 108.874 108.800 -0.126 0.000 2.514 1052 G HA2 0.181 4.141 3.960 0.000 0.000 0.217 1052 G HA3 0.181 4.141 3.960 0.000 0.000 0.217 1052 G C 0.727 175.489 174.900 -0.231 0.000 1.198 1052 G CA 1.340 46.370 45.100 -0.116 0.000 0.780 1052 G HN 1.588 nan 8.290 nan 0.000 0.565 1053 A N 0.215 122.833 122.820 -0.337 0.000 2.271 1053 A HA 0.608 4.928 4.320 0.000 0.000 0.317 1053 A C 0.044 177.575 177.584 -0.088 0.000 1.245 1053 A CA -0.437 51.426 52.037 -0.289 0.000 0.857 1053 A CB 0.388 18.963 19.000 -0.709 0.000 1.175 1053 A HN 0.709 nan 8.150 nan 0.000 0.512 1054 N N 0.783 119.523 118.700 0.066 0.000 2.813 1054 N HA 0.586 5.326 4.740 0.000 0.000 0.320 1054 N C -0.900 174.839 175.510 0.381 0.000 1.315 1054 N CA -0.888 52.294 53.050 0.221 0.000 0.871 1054 N CB 1.032 39.600 38.487 0.136 0.000 1.241 1054 N HN 0.625 nan 8.380 nan 0.000 0.602 1055 W N 0.787 122.198 121.300 0.185 0.000 2.296 1055 W HA 0.422 5.082 4.660 0.000 0.000 0.316 1055 W C -1.386 175.071 176.519 -0.103 0.000 1.022 1055 W CA -0.246 57.130 57.345 0.052 0.000 1.324 1055 W CB 1.103 30.643 29.460 0.134 0.000 1.227 1055 W HN 0.386 nan 8.180 nan 0.000 0.409 1056 T N 7.156 121.424 114.554 -0.477 0.000 3.077 1056 T HA 0.219 4.569 4.350 0.000 0.000 0.359 1056 T C -2.654 171.270 174.700 -1.293 0.000 1.108 1056 T CA -1.161 60.513 62.100 -0.710 0.000 1.170 1056 T CB 1.126 69.680 68.868 -0.524 0.000 1.045 1056 T HN 0.022 nan 8.240 nan 0.000 0.505 1057 P HA 0.193 nan 4.420 nan 0.000 0.266 1057 P C -0.172 176.692 177.300 -0.726 0.000 1.195 1057 P CA -0.042 62.468 63.100 -0.983 0.000 0.768 1057 P CB 0.399 31.553 31.700 -0.910 0.000 0.838 1058 F N 0.481 120.376 119.950 -0.091 0.000 2.706 1058 F HA 0.323 4.850 4.527 0.000 0.000 0.308 1058 F C 0.975 176.786 175.800 0.017 0.000 1.095 1058 F CA 0.137 58.111 58.000 -0.043 0.000 1.244 1058 F CB 0.330 39.290 39.000 -0.067 0.000 1.063 1058 F HN 0.140 nan 8.300 nan 0.000 0.582 1059 M N -0.218 119.508 119.600 0.211 0.000 2.619 1059 M HA 0.332 4.812 4.480 0.000 0.000 0.297 1059 M C 0.042 176.444 176.300 0.170 0.000 1.229 1059 M CA -0.909 54.475 55.300 0.140 0.000 0.860 1059 M CB 2.212 34.839 32.600 0.044 0.000 1.741 1059 M HN -0.070 nan 8.290 nan 0.000 0.462 1060 T N -1.324 113.277 114.554 0.078 0.000 2.726 1060 T HA 0.347 4.697 4.350 0.000 0.000 0.294 1060 T C 1.153 175.728 174.700 -0.207 0.000 1.013 1060 T CA -0.694 61.430 62.100 0.039 0.000 0.996 1060 T CB 0.589 69.472 68.868 0.025 0.000 1.016 1060 T HN 0.630 nan 8.240 nan 0.000 0.529 1061 L N 0.173 121.203 121.223 -0.321 0.000 2.046 1061 L HA -0.111 4.229 4.340 0.000 0.000 0.208 1061 L C 3.155 179.866 176.870 -0.265 0.000 1.077 1061 L CA 1.594 56.176 54.840 -0.431 0.000 0.747 1061 L CB -1.243 40.606 42.059 -0.350 0.000 0.896 1061 L HN 0.824 nan 8.230 nan 0.000 0.432 1062 T N -0.985 113.472 114.554 -0.162 0.000 2.737 1062 T HA -0.161 4.189 4.350 0.000 0.000 0.265 1062 T C 1.467 176.094 174.700 -0.120 0.000 1.038 1062 T CA 1.445 63.471 62.100 -0.123 0.000 1.144 1062 T CB -0.204 68.617 68.868 -0.077 0.000 0.866 1062 T HN 0.298 nan 8.240 nan 0.000 0.434 1063 D N 0.943 121.279 120.400 -0.106 0.000 2.117 1063 D HA 0.020 4.660 4.640 0.000 0.000 0.197 1063 D C 1.415 177.640 176.300 -0.125 0.000 0.987 1063 D CA 0.977 54.923 54.000 -0.090 0.000 0.829 1063 D CB -0.216 40.552 40.800 -0.054 0.000 0.961 1063 D HN 0.473 nan 8.370 nan 0.000 0.460 1064 G N 0.409 109.104 108.800 -0.176 0.000 4.566 1064 G HA2 0.245 4.205 3.960 0.000 0.000 0.307 1064 G HA3 0.245 4.205 3.960 0.000 0.000 0.307 1064 G C -1.931 172.762 174.900 -0.346 0.000 1.383 1064 G CA -0.809 44.156 45.100 -0.226 0.000 0.910 1064 G HN -0.046 nan 8.290 nan 0.000 0.538 1065 P HA -0.151 nan 4.420 nan 0.000 0.216 1065 P C 1.686 178.695 177.300 -0.486 0.000 1.153 1065 P CA 0.750 63.621 63.100 -0.382 0.000 0.848 1065 P CB 0.480 32.011 31.700 -0.281 0.000 0.787 1066 R N -0.316 119.828 120.500 -0.592 0.000 2.075 1066 R HA -0.116 4.224 4.340 0.000 0.000 0.232 1066 R C 2.676 178.228 176.300 -1.247 0.000 1.126 1066 R CA 1.407 56.876 56.100 -1.051 0.000 0.963 1066 R CB -0.676 28.841 30.300 -1.305 0.000 0.858 1066 R HN 0.186 nan 8.270 nan 0.000 0.435 1067 Q N 0.372 119.725 119.800 -0.746 0.000 2.061 1067 Q HA -0.150 4.190 4.340 0.000 0.000 0.204 1067 Q C 2.120 178.008 176.000 -0.187 0.000 0.984 1067 Q CA 2.132 57.767 55.803 -0.280 0.000 0.846 1067 Q CB -0.312 28.362 28.738 -0.107 0.000 0.902 1067 Q HN 0.388 nan 8.270 nan 0.000 0.421 1068 A N 0.751 123.333 122.820 -0.397 0.000 1.898 1068 A HA -0.228 4.092 4.320 0.000 0.000 0.216 1068 A C 2.007 179.479 177.584 -0.187 0.000 1.181 1068 A CA 1.656 53.372 52.037 -0.534 0.000 0.620 1068 A CB -0.518 17.671 19.000 -1.352 0.000 0.819 1068 A HN 0.289 nan 8.150 nan 0.000 0.442 1069 K N -1.296 118.950 120.400 -0.258 0.000 2.032 1069 K HA -0.211 4.109 4.320 0.000 0.000 0.209 1069 K C 1.849 178.549 176.600 0.168 0.000 1.048 1069 K CA 1.839 58.078 56.287 -0.080 0.000 0.927 1069 K CB -0.289 32.096 32.500 -0.192 0.000 0.712 1069 K HN 0.628 nan 8.250 nan 0.000 0.441 1070 W N 1.549 122.895 121.300 0.076 0.000 2.381 1070 W HA -0.079 4.581 4.660 0.000 0.000 0.301 1070 W C 1.927 178.546 176.519 0.167 0.000 1.205 1070 W CA 0.794 58.204 57.345 0.109 0.000 1.285 1070 W CB -0.859 28.660 29.460 0.098 0.000 1.133 1070 W HN 0.295 nan 8.180 nan 0.000 0.521 1071 E N 0.133 120.582 120.200 0.416 0.000 2.051 1071 E HA -0.235 4.115 4.350 0.000 0.000 0.192 1071 E C 1.942 178.994 176.600 0.754 0.000 0.991 1071 E CA 1.664 58.347 56.400 0.471 0.000 0.799 1071 E CB -0.344 29.454 29.700 0.164 0.000 0.748 1071 E HN 0.294 nan 8.360 nan 0.000 0.449 1072 E N 0.382 120.948 120.200 0.609 0.000 2.077 1072 E HA -0.212 4.138 4.350 0.000 0.000 0.193 1072 E C 2.099 178.896 176.600 0.329 0.000 0.989 1072 E CA 1.315 57.998 56.400 0.471 0.000 0.800 1072 E CB -0.046 29.881 29.700 0.377 0.000 0.746 1072 E HN 0.066 nan 8.360 nan 0.000 0.452 1073 S N -0.895 114.996 115.700 0.319 0.000 2.368 1073 S HA -0.135 4.335 4.470 0.000 0.000 0.225 1073 S C 1.962 176.718 174.600 0.259 0.000 1.030 1073 S CA 1.811 60.186 58.200 0.292 0.000 0.999 1073 S CB -0.443 62.955 63.200 0.329 0.000 0.844 1073 S HN 0.380 nan 8.310 nan 0.000 0.459 1074 T N 1.083 115.781 114.554 0.240 0.000 2.821 1074 T HA -0.008 4.342 4.350 0.000 0.000 0.267 1074 T C 1.311 175.833 174.700 -0.297 0.000 1.046 1074 T CA 1.238 63.328 62.100 -0.017 0.000 1.139 1074 T CB -0.492 68.305 68.868 -0.117 0.000 0.871 1074 T HN 0.496 nan 8.240 nan 0.000 0.454 1075 F N 2.180 121.946 119.950 -0.307 0.000 2.134 1075 F HA -0.107 4.421 4.527 0.000 0.000 0.299 1075 F C 2.185 177.811 175.800 -0.291 0.000 1.097 1075 F CA 1.332 58.981 58.000 -0.586 0.000 1.264 1075 F CB -0.109 38.348 39.000 -0.906 0.000 1.001 1075 F HN 0.017 nan 8.300 nan 0.000 0.479 1076 K N -0.126 120.316 120.400 0.070 0.000 2.063 1076 K HA -0.254 4.066 4.320 0.000 0.000 0.208 1076 K C 2.041 178.610 176.600 -0.052 0.000 1.048 1076 K CA 1.727 58.046 56.287 0.052 0.000 0.928 1076 K CB -0.297 32.266 32.500 0.105 0.000 0.713 1076 K HN 0.065 nan 8.250 nan 0.000 0.442 1077 K N 0.577 120.909 120.400 -0.113 0.000 2.026 1077 K HA -0.164 4.156 4.320 0.000 0.000 0.208 1077 K C 1.647 178.216 176.600 -0.051 0.000 1.048 1077 K CA 1.412 57.564 56.287 -0.225 0.000 0.929 1077 K CB -0.255 31.902 32.500 -0.572 0.000 0.713 1077 K HN 0.168 nan 8.250 nan 0.000 0.439 1078 W N 0.472 121.574 121.300 -0.330 0.000 2.388 1078 W HA -0.041 4.619 4.660 0.000 0.000 0.294 1078 W C 2.047 178.269 176.519 -0.496 0.000 1.212 1078 W CA 0.506 57.607 57.345 -0.406 0.000 1.271 1078 W CB -1.014 28.140 29.460 -0.510 0.000 1.126 1078 W HN -0.089 nan 8.180 nan 0.000 0.535 1079 V N 0.549 120.277 119.914 -0.310 0.000 2.324 1079 V HA -0.300 3.820 4.120 0.000 0.000 0.250 1079 V C 1.944 177.961 176.094 -0.128 0.000 1.060 1079 V CA 2.145 64.279 62.300 -0.276 0.000 1.042 1079 V CB -0.821 30.942 31.823 -0.099 0.000 0.650 1079 V HN 0.188 nan 8.190 nan 0.000 0.450 1080 E N -0.380 119.766 120.200 -0.090 0.000 2.338 1080 E HA -0.089 4.261 4.350 0.000 0.000 0.197 1080 E C 1.882 178.440 176.600 -0.071 0.000 1.007 1080 E CA 0.722 57.087 56.400 -0.057 0.000 0.849 1080 E CB -0.044 29.621 29.700 -0.058 0.000 0.774 1080 E HN 0.541 nan 8.360 nan 0.000 0.506 1081 L N 0.030 121.188 121.223 -0.109 0.000 2.607 1081 L HA 0.022 4.362 4.340 0.000 0.000 0.228 1081 L C 1.932 178.707 176.870 -0.158 0.000 1.123 1081 L CA -0.165 54.601 54.840 -0.122 0.000 0.890 1081 L CB 0.317 42.291 42.059 -0.141 0.000 1.103 1081 L HN 0.011 nan 8.230 nan 0.000 0.468 1082 V N 0.999 120.806 119.914 -0.178 0.000 2.295 1082 V HA -0.162 3.958 4.120 0.000 0.000 0.246 1082 V C -0.054 175.982 176.094 -0.097 0.000 1.049 1082 V CA 1.944 64.140 62.300 -0.173 0.000 1.024 1082 V CB -1.365 30.362 31.823 -0.159 0.000 0.648 1082 V HN 0.357 nan 8.190 nan 0.000 0.447 1083 P HA -0.115 nan 4.420 nan 0.000 0.218 1083 P C 1.507 178.768 177.300 -0.066 0.000 1.148 1083 P CA 1.873 64.953 63.100 -0.034 0.000 0.822 1083 P CB -0.217 31.477 31.700 -0.010 0.000 0.784 1084 T N -5.876 108.626 114.554 -0.087 0.000 3.122 1084 T HA 0.391 4.741 4.350 0.000 0.000 0.250 1084 T C 1.437 175.943 174.700 -0.323 0.000 1.067 1084 T CA 0.287 62.313 62.100 -0.124 0.000 0.966 1084 T CB -0.593 68.272 68.868 -0.006 0.000 1.002 1084 T HN 0.217 nan 8.240 nan 0.000 0.542 1085 G N 1.577 110.199 108.800 -0.297 0.000 2.143 1085 G HA2 -0.282 3.678 3.960 0.000 0.000 0.249 1085 G HA3 -0.282 3.678 3.960 0.000 0.000 0.249 1085 G C 0.630 175.232 174.900 -0.496 0.000 0.981 1085 G CA 0.386 45.268 45.100 -0.362 0.000 0.665 1085 G HN 0.629 nan 8.290 nan 0.000 0.528 1086 H N -0.130 118.755 119.070 -0.308 0.000 2.548 1086 H HA 0.510 5.066 4.556 0.000 0.000 0.268 1086 H C 1.513 176.619 175.328 -0.371 0.000 0.975 1086 H CA 1.358 57.184 56.048 -0.369 0.000 1.195 1086 H CB 0.499 29.880 29.762 -0.634 0.000 1.397 1086 H HN 0.840 nan 8.280 nan 0.000 0.572 1087 A N 0.608 123.232 122.820 -0.326 0.000 2.469 1087 A HA 0.641 4.961 4.320 0.000 0.000 0.299 1087 A C -0.729 176.624 177.584 -0.385 0.000 1.098 1087 A CA -0.715 51.040 52.037 -0.470 0.000 0.737 1087 A CB 2.533 21.179 19.000 -0.590 0.000 1.312 1087 A HN 0.175 nan 8.150 nan 0.000 0.414 1088 M N 0.873 120.241 119.600 -0.386 0.000 2.386 1088 M HA 0.464 4.944 4.480 0.000 0.000 0.293 1088 M C -2.022 174.133 176.300 -0.240 0.000 1.120 1088 M CA -0.416 54.735 55.300 -0.248 0.000 0.909 1088 M CB 1.374 33.880 32.600 -0.155 0.000 1.661 1088 M HN 0.786 nan 8.290 nan 0.000 0.452 1089 W N 4.787 126.042 121.300 -0.074 0.000 2.216 1089 W HA 0.321 4.981 4.660 0.000 0.000 0.326 1089 W C -0.594 175.916 176.519 -0.015 0.000 1.319 1089 W CA -0.322 57.003 57.345 -0.035 0.000 1.213 1089 W CB 0.426 29.874 29.460 -0.020 0.000 1.171 1089 W HN 0.450 nan 8.180 nan 0.000 0.557 1090 L N 5.368 126.776 121.223 0.308 0.000 2.426 1090 L HA 0.275 4.615 4.340 0.000 0.000 0.255 1090 L C 0.124 177.121 176.870 0.213 0.000 1.080 1090 L CA -0.623 54.336 54.840 0.198 0.000 0.960 1090 L CB -0.221 41.924 42.059 0.144 0.000 1.326 1090 L HN 0.299 nan 8.230 nan 0.000 0.441 1091 K N 1.440 121.935 120.400 0.158 0.000 2.298 1091 K HA 0.337 4.657 4.320 0.000 0.000 0.280 1091 K C 1.059 177.669 176.600 0.016 0.000 1.032 1091 K CA 0.198 56.532 56.287 0.079 0.000 0.958 1091 K CB 1.025 33.533 32.500 0.012 0.000 0.978 1091 K HN 0.666 nan 8.250 nan 0.000 0.472 1092 G N 2.372 111.161 108.800 -0.018 0.000 2.273 1092 G HA2 -0.263 3.697 3.960 0.000 0.000 0.280 1092 G HA3 -0.263 3.697 3.960 0.000 0.000 0.280 1092 G C 0.144 174.960 174.900 -0.140 0.000 1.047 1092 G CA 0.175 45.229 45.100 -0.076 0.000 0.869 1092 G HN 0.591 nan 8.290 nan 0.000 0.502 1093 T N 0.083 114.520 114.554 -0.194 0.000 2.934 1093 T HA 0.352 4.702 4.350 0.000 0.000 0.306 1093 T C 0.913 175.307 174.700 -0.510 0.000 1.042 1093 T CA 0.409 62.316 62.100 -0.321 0.000 1.145 1093 T CB 0.486 69.137 68.868 -0.362 0.000 0.982 1093 T HN 0.512 nan 8.240 nan 0.000 0.544 1094 R N 2.022 122.258 120.500 -0.441 0.000 2.387 1094 R HA 0.514 4.854 4.340 0.000 0.000 0.314 1094 R C -0.059 175.812 176.300 -0.715 0.000 0.958 1094 R CA -0.643 55.106 56.100 -0.586 0.000 0.846 1094 R CB 1.377 31.350 30.300 -0.544 0.000 1.147 1094 R HN 0.436 nan 8.270 nan 0.000 0.447 1095 R N 3.958 124.057 120.500 -0.668 0.000 2.439 1095 R HA 0.396 4.736 4.340 0.000 0.000 0.310 1095 R C -1.296 174.783 176.300 -0.368 0.000 0.955 1095 R CA -0.408 55.456 56.100 -0.394 0.000 0.853 1095 R CB 0.782 31.092 30.300 0.017 0.000 1.171 1095 R HN 0.488 nan 8.270 nan 0.000 0.449 1096 F N 2.729 122.731 119.950 0.088 0.000 2.480 1096 F HA 0.743 5.270 4.527 0.000 0.000 0.329 1096 F C 0.404 176.265 175.800 0.101 0.000 1.091 1096 F CA -0.920 57.133 58.000 0.087 0.000 0.972 1096 F CB 2.275 41.328 39.000 0.087 0.000 1.150 1096 F HN 0.544 nan 8.300 nan 0.000 0.467 1097 A N 1.996 124.987 122.820 0.285 0.000 2.532 1097 A HA 0.449 4.769 4.320 0.000 0.000 0.290 1097 A C 0.118 177.791 177.584 0.148 0.000 1.143 1097 A CA -0.718 51.431 52.037 0.187 0.000 0.728 1097 A CB 1.676 20.762 19.000 0.144 0.000 1.317 1097 A HN 0.841 nan 8.150 nan 0.000 0.414 1098 Q N -0.211 119.655 119.800 0.111 0.000 2.230 1098 Q HA -0.025 4.315 4.340 0.000 0.000 0.202 1098 Q C -0.100 175.943 176.000 0.071 0.000 0.963 1098 Q CA 1.573 57.425 55.803 0.082 0.000 0.866 1098 Q CB -0.104 28.674 28.738 0.066 0.000 0.931 1098 Q HN 0.812 nan 8.270 nan 0.000 0.452 1099 N N -2.359 116.386 118.700 0.075 0.000 3.116 1099 N HA -0.013 4.727 4.740 0.000 0.000 0.244 1099 N C -0.182 175.369 175.510 0.069 0.000 1.485 1099 N CA -0.504 52.586 53.050 0.066 0.000 0.884 1099 N CB 0.419 38.937 38.487 0.052 0.000 1.415 1099 N HN -0.210 nan 8.380 nan 0.000 0.524 1100 E N -0.230 120.011 120.200 0.069 0.000 2.130 1100 E HA -0.197 4.153 4.350 0.000 0.000 0.196 1100 E C 0.506 177.127 176.600 0.036 0.000 0.998 1100 E CA 1.848 58.291 56.400 0.072 0.000 0.806 1100 E CB -0.333 29.420 29.700 0.088 0.000 0.738 1100 E HN 0.569 nan 8.360 nan 0.000 0.459 1101 D N -0.629 119.794 120.400 0.038 0.000 2.158 1101 D HA -0.127 4.514 4.640 0.000 0.000 0.197 1101 D C 1.742 178.057 176.300 0.026 0.000 0.995 1101 D CA 1.478 55.495 54.000 0.028 0.000 0.846 1101 D CB -0.705 40.114 40.800 0.032 0.000 0.941 1101 D HN 0.401 nan 8.370 nan 0.000 0.456 1102 G N -0.083 108.742 108.800 0.041 0.000 2.625 1102 G HA2 -0.122 3.838 3.960 0.000 0.000 0.214 1102 G HA3 -0.122 3.838 3.960 0.000 0.000 0.214 1102 G C 1.392 176.323 174.900 0.053 0.000 1.132 1102 G CA 0.039 45.174 45.100 0.058 0.000 0.782 1102 G HN 0.292 nan 8.290 nan 0.000 0.538 1103 L N -0.172 121.045 121.223 -0.010 0.000 2.611 1103 L HA 0.353 4.693 4.340 0.000 0.000 0.229 1103 L C 0.769 177.541 176.870 -0.163 0.000 1.137 1103 L CA -0.210 54.573 54.840 -0.096 0.000 0.901 1103 L CB -0.070 41.852 42.059 -0.228 0.000 1.098 1103 L HN 0.103 nan 8.230 nan 0.000 0.456 1104 L N 0.335 121.534 121.223 -0.040 0.000 4.040 1104 L HA -0.279 4.061 4.340 0.000 0.000 0.410 1104 L C 1.141 178.054 176.870 0.071 0.000 1.187 1104 L CA 0.312 55.196 54.840 0.074 0.000 0.956 1104 L CB -2.532 39.656 42.059 0.215 0.000 2.022 1104 L HN 0.536 nan 8.230 nan 0.000 0.897 1105 G N -1.047 107.710 108.800 -0.072 0.000 2.155 1105 G HA2 -0.346 3.614 3.960 0.000 0.000 0.257 1105 G HA3 -0.346 3.614 3.960 0.000 0.000 0.257 1105 G C 0.357 175.286 174.900 0.048 0.000 0.983 1105 G CA 0.747 45.862 45.100 0.026 0.000 0.676 1105 G HN 1.030 nan 8.290 nan 0.000 0.528 1106 H N -2.459 116.561 119.070 -0.084 0.000 2.776 1106 H HA -0.215 4.341 4.556 0.000 0.000 0.300 1106 H C 1.611 176.606 175.328 -0.555 0.000 1.161 1106 H CA 1.670 57.469 56.048 -0.416 0.000 1.147 1106 H CB -1.897 27.683 29.762 -0.303 0.000 1.366 1106 H HN 0.969 nan 8.280 nan 0.000 0.397 1107 W N 0.560 121.714 121.300 -0.244 0.000 2.374 1107 W HA -0.235 4.425 4.660 0.000 0.000 0.288 1107 W C 1.146 177.567 176.519 -0.164 0.000 1.218 1107 W CA 1.319 58.582 57.345 -0.137 0.000 1.245 1107 W CB -0.973 28.471 29.460 -0.026 0.000 1.126 1107 W HN 0.546 nan 8.180 nan 0.000 0.545 1108 Y N 2.034 121.795 120.300 -0.898 0.000 2.470 1108 Y HA 0.302 4.853 4.550 0.000 0.000 0.284 1108 Y C 2.112 177.627 175.900 -0.641 0.000 1.188 1108 Y CA 0.178 57.706 58.100 -0.952 0.000 1.269 1108 Y CB -1.068 36.549 38.460 -1.405 0.000 1.094 1108 Y HN 0.010 nan 8.280 nan 0.000 0.518 1109 K N -0.410 119.437 120.400 -0.922 0.000 2.442 1109 K HA -0.118 4.202 4.320 0.000 0.000 0.198 1109 K C 0.049 176.403 176.600 -0.411 0.000 1.042 1109 K CA 1.538 57.223 56.287 -1.004 0.000 0.958 1109 K CB -0.088 31.702 32.500 -1.183 0.000 0.766 1109 K HN 0.225 nan 8.250 nan 0.000 0.474 1110 D N 0.470 120.712 120.400 -0.264 0.000 2.349 1110 D HA 0.150 4.790 4.640 0.000 0.000 0.214 1110 D C 1.509 177.722 176.300 -0.144 0.000 1.063 1110 D CA 0.291 54.206 54.000 -0.141 0.000 0.847 1110 D CB 0.269 41.024 40.800 -0.075 0.000 0.933 1110 D HN 0.305 nan 8.370 nan 0.000 0.513 1111 I N 0.249 120.674 120.570 -0.243 0.000 2.681 1111 I HA -0.056 4.114 4.170 0.000 0.000 0.247 1111 I C 0.791 176.536 176.117 -0.619 0.000 1.091 1111 I CA 0.501 61.536 61.300 -0.442 0.000 1.442 1111 I CB 0.043 37.702 38.000 -0.568 0.000 1.219 1111 I HN -0.116 nan 8.210 nan 0.000 0.451 1112 T N 1.069 115.330 114.554 -0.488 0.000 2.752 1112 T HA 0.287 4.637 4.350 0.000 0.000 0.295 1112 T C -2.457 172.297 174.700 0.090 0.000 0.923 1112 T CA -1.672 60.334 62.100 -0.156 0.000 1.112 1112 T CB 0.349 69.249 68.868 0.053 0.000 0.884 1112 T HN -0.144 nan 8.240 nan 0.000 0.525 1113 P HA 0.138 nan 4.420 nan 0.000 0.268 1113 P C 0.335 177.710 177.300 0.126 0.000 1.208 1113 P CA -0.046 63.107 63.100 0.088 0.000 0.777 1113 P CB 0.223 31.916 31.700 -0.013 0.000 0.875 1114 N N -1.240 117.509 118.700 0.083 0.000 2.735 1114 N HA -0.253 4.487 4.740 0.000 0.000 0.248 1114 N C -0.643 174.951 175.510 0.140 0.000 1.083 1114 N CA 0.647 53.743 53.050 0.077 0.000 0.703 1114 N CB -2.006 36.496 38.487 0.024 0.000 1.005 1114 N HN 0.544 nan 8.380 nan 0.000 0.550 1115 Y N 1.874 122.208 120.300 0.057 0.000 2.465 1115 Y HA 0.149 4.699 4.550 0.000 0.000 0.331 1115 Y C 1.127 177.043 175.900 0.026 0.000 1.102 1115 Y CA 0.135 58.282 58.100 0.077 0.000 1.358 1115 Y CB 0.500 38.949 38.460 -0.017 0.000 1.213 1115 Y HN 0.217 nan 8.280 nan 0.000 0.525 1116 R N 5.316 125.725 120.500 -0.153 0.000 2.692 1116 R HA 0.539 4.879 4.340 0.000 0.000 0.269 1116 R C -3.426 172.778 176.300 -0.160 0.000 1.030 1116 R CA -2.314 53.741 56.100 -0.075 0.000 0.882 1116 R CB 1.140 31.426 30.300 -0.022 0.000 1.250 1116 R HN 0.283 nan 8.270 nan 0.000 0.465 1117 P HA 0.124 nan 4.420 nan 0.000 0.272 1117 P C -0.591 176.698 177.300 -0.019 0.000 1.223 1117 P CA -0.267 62.815 63.100 -0.030 0.000 0.784 1117 P CB 0.550 32.254 31.700 0.007 0.000 0.923 1118 L N 4.128 125.360 121.223 0.015 0.000 2.325 1118 L HA 0.411 4.751 4.340 0.000 0.000 0.279 1118 L C -1.866 175.039 176.870 0.058 0.000 1.054 1118 L CA -2.168 52.699 54.840 0.044 0.000 0.804 1118 L CB 0.791 42.911 42.059 0.103 0.000 1.200 1118 L HN 0.239 nan 8.230 nan 0.000 0.436 1119 P HA 0.070 nan 4.420 nan 0.000 0.269 1119 P C 0.310 177.636 177.300 0.045 0.000 1.215 1119 P CA -0.250 62.873 63.100 0.037 0.000 0.780 1119 P CB 0.596 32.311 31.700 0.026 0.000 0.898 1120 S N 0.188 115.906 115.700 0.030 0.000 2.419 1120 S HA -0.162 4.308 4.470 0.000 0.000 0.233 1120 S C 1.787 176.385 174.600 -0.004 0.000 1.016 1120 S CA 1.309 59.519 58.200 0.015 0.000 0.974 1120 S CB -1.142 62.063 63.200 0.008 0.000 0.786 1120 S HN 0.666 nan 8.310 nan 0.000 0.492 1121 S N 1.993 117.696 115.700 0.004 0.000 2.442 1121 S HA -0.090 4.380 4.470 0.000 0.000 0.236 1121 S C 1.255 175.854 174.600 -0.000 0.000 1.007 1121 S CA 0.864 59.062 58.200 -0.003 0.000 0.965 1121 S CB -0.389 62.813 63.200 0.004 0.000 0.773 1121 S HN 0.655 nan 8.310 nan 0.000 0.504 1122 E N -0.313 119.901 120.200 0.023 0.000 2.501 1122 E HA 0.256 4.606 4.350 0.000 0.000 0.201 1122 E C -0.556 176.086 176.600 0.070 0.000 1.016 1122 E CA -0.350 56.087 56.400 0.062 0.000 0.920 1122 E CB 0.515 30.270 29.700 0.092 0.000 1.023 1122 E HN 0.466 nan 8.360 nan 0.000 0.474 1123 C N 1.156 120.409 119.300 -0.078 0.000 2.562 1123 C HA 0.457 4.917 4.460 0.000 0.000 0.332 1123 C C -2.249 172.467 174.990 -0.455 0.000 1.201 1123 C CA -1.895 56.887 59.018 -0.394 0.000 1.803 1123 C CB 1.286 28.941 27.740 -0.143 0.000 2.328 1123 C HN 0.140 nan 8.230 nan 0.000 0.500 1124 P HA 0.167 nan 4.420 nan 0.000 0.268 1124 P C -2.592 174.586 177.300 -0.202 0.000 1.208 1124 P CA -0.535 62.353 63.100 -0.354 0.000 0.777 1124 P CB -0.341 31.160 31.700 -0.333 0.000 0.875 1125 P HA 0.044 nan 4.420 nan 0.000 0.263 1125 P C 1.012 178.274 177.300 -0.063 0.000 1.195 1125 P CA 1.342 64.393 63.100 -0.081 0.000 0.762 1125 P CB -0.040 31.622 31.700 -0.064 0.000 0.799 1126 G N 1.725 110.500 108.800 -0.042 0.000 2.199 1126 G HA2 -0.182 3.778 3.960 0.000 0.000 0.254 1126 G HA3 -0.182 3.778 3.960 0.000 0.000 0.254 1126 G C 0.454 175.350 174.900 -0.007 0.000 0.982 1126 G CA 0.100 45.189 45.100 -0.019 0.000 0.632 1126 G HN 0.865 nan 8.290 nan 0.000 0.529 1127 A N -0.498 122.307 122.820 -0.025 0.000 2.252 1127 A HA 0.865 5.185 4.320 0.000 0.000 0.305 1127 A C 0.109 177.722 177.584 0.047 0.000 1.097 1127 A CA 0.046 52.089 52.037 0.010 0.000 0.849 1127 A CB 1.005 19.986 19.000 -0.031 0.000 1.142 1127 A HN 1.229 nan 8.150 nan 0.000 0.499 1128 I N -0.933 119.704 120.570 0.113 0.000 2.740 1128 I HA 0.738 4.908 4.170 0.000 0.000 0.303 1128 I C 0.183 176.450 176.117 0.250 0.000 1.044 1128 I CA -0.379 61.008 61.300 0.145 0.000 1.064 1128 I CB 2.231 40.305 38.000 0.124 0.000 1.249 1128 I HN 0.770 nan 8.210 nan 0.000 0.433 1129 G N 4.813 113.759 108.800 0.243 0.000 2.690 1129 G HA2 0.622 4.582 3.960 0.000 0.000 0.293 1129 G HA3 0.622 4.582 3.960 0.000 0.000 0.293 1129 G C -1.609 173.358 174.900 0.112 0.000 1.399 1129 G CA -0.448 44.812 45.100 0.267 0.000 0.890 1129 G HN 0.729 nan 8.290 nan 0.000 0.485 1130 V N -2.167 117.751 119.914 0.005 0.000 3.102 1130 V HA 0.961 5.081 4.120 0.000 0.000 0.312 1130 V C -0.398 175.554 176.094 -0.238 0.000 1.135 1130 V CA -0.716 61.509 62.300 -0.125 0.000 1.022 1130 V CB 1.567 33.262 31.823 -0.214 0.000 1.056 1130 V HN 1.045 nan 8.190 nan 0.000 0.436 1131 T N 1.542 115.920 114.554 -0.292 0.000 2.906 1131 T HA 0.896 5.247 4.350 0.000 0.000 0.295 1131 T C -1.433 173.124 174.700 -0.238 0.000 1.061 1131 T CA -0.210 61.679 62.100 -0.352 0.000 1.000 1131 T CB 1.538 70.273 68.868 -0.221 0.000 1.103 1131 T HN 1.653 nan 8.240 nan 0.000 0.486 1132 Y N -0.139 120.109 120.300 -0.087 0.000 2.741 1132 Y HA 0.642 5.192 4.550 0.000 0.000 0.339 1132 Y C -1.719 174.244 175.900 0.105 0.000 1.226 1132 Y CA -1.486 56.631 58.100 0.028 0.000 1.072 1132 Y CB 0.340 38.891 38.460 0.152 0.000 1.331 1132 Y HN 0.354 nan 8.280 nan 0.000 0.453 1133 D N 1.206 121.848 120.400 0.403 0.000 2.280 1133 D HA 0.490 5.130 4.640 0.000 0.000 0.236 1133 D C -0.448 176.280 176.300 0.713 0.000 1.082 1133 D CA -0.006 54.237 54.000 0.406 0.000 0.834 1133 D CB 2.077 42.993 40.800 0.194 0.000 1.100 1133 D HN 0.729 nan 8.370 nan 0.000 0.486 1134 T N 1.232 116.190 114.554 0.674 0.000 2.718 1134 T HA 0.774 5.124 4.350 0.000 0.000 0.267 1134 T C -0.978 173.942 174.700 0.366 0.000 0.957 1134 T CA -0.488 62.019 62.100 0.679 0.000 1.025 1134 T CB 0.738 70.036 68.868 0.715 0.000 1.355 1134 T HN 0.200 nan 8.240 nan 0.000 0.572 1135 L N 1.466 122.782 121.223 0.156 0.000 2.371 1135 L HA 0.740 5.080 4.340 0.000 0.000 0.262 1135 L C -0.557 176.350 176.870 0.061 0.000 1.006 1135 L CA -0.892 53.865 54.840 -0.137 0.000 0.818 1135 L CB 2.467 44.216 42.059 -0.517 0.000 1.354 1135 L HN 0.820 nan 8.230 nan 0.000 0.415 1136 S N 0.486 116.090 115.700 -0.160 0.000 2.595 1136 S HA 0.895 5.365 4.470 0.000 0.000 0.281 1136 S C -0.799 173.453 174.600 -0.581 0.000 1.117 1136 S CA -0.729 57.317 58.200 -0.257 0.000 0.873 1136 S CB 2.111 65.225 63.200 -0.144 0.000 1.108 1136 S HN 0.583 nan 8.310 nan 0.000 0.477 1137 V N -0.984 118.495 119.914 -0.725 0.000 3.001 1137 V HA 0.612 4.732 4.120 0.000 0.000 0.314 1137 V C -0.575 175.294 176.094 -0.375 0.000 1.099 1137 V CA -0.850 61.045 62.300 -0.675 0.000 0.989 1137 V CB 1.646 32.799 31.823 -1.117 0.000 1.040 1137 V HN 1.127 nan 8.190 nan 0.000 0.434 1138 H N 2.386 121.287 119.070 -0.281 0.000 2.934 1138 H HA 0.538 5.094 4.556 0.000 0.000 0.273 1138 H C 0.991 176.228 175.328 -0.152 0.000 1.121 1138 H CA 0.516 56.452 56.048 -0.188 0.000 1.451 1138 H CB 1.424 31.116 29.762 -0.117 0.000 1.469 1138 H HN 1.022 nan 8.280 nan 0.000 0.476 1139 A N 8.081 130.785 122.820 -0.193 0.000 1.851 1139 A HA -0.099 4.221 4.320 0.000 0.000 0.216 1139 A C -0.472 177.195 177.584 0.137 0.000 1.195 1139 A CA 1.150 53.058 52.037 -0.216 0.000 0.622 1139 A CB -1.231 17.456 19.000 -0.522 0.000 0.831 1139 A HN 0.585 nan 8.150 nan 0.000 0.444 1140 P HA -0.130 nan 4.420 nan 0.000 0.217 1140 P C 1.035 178.423 177.300 0.147 0.000 1.150 1140 P CA 1.534 64.696 63.100 0.103 0.000 0.832 1140 P CB -0.133 31.583 31.700 0.026 0.000 0.787 1141 K N -1.654 118.844 120.400 0.163 0.000 2.155 1141 K HA -0.143 4.177 4.320 0.000 0.000 0.203 1141 K C 2.306 179.008 176.600 0.169 0.000 1.052 1141 K CA 0.913 57.222 56.287 0.036 0.000 0.948 1141 K CB -0.580 31.777 32.500 -0.238 0.000 0.728 1141 K HN 0.085 nan 8.250 nan 0.000 0.448 1142 Y N 1.047 121.419 120.300 0.119 0.000 2.181 1142 Y HA -0.305 4.245 4.550 0.000 0.000 0.288 1142 Y C 2.175 178.212 175.900 0.228 0.000 1.146 1142 Y CA 1.194 59.398 58.100 0.174 0.000 1.164 1142 Y CB -0.331 38.223 38.460 0.156 0.000 0.982 1142 Y HN 0.032 nan 8.280 nan 0.000 0.515 1143 C N 0.321 119.795 119.300 0.290 0.000 2.425 1143 C HA -0.199 4.261 4.460 0.000 0.000 0.277 1143 C C 2.568 177.582 174.990 0.040 0.000 1.280 1143 C CA 1.370 60.478 59.018 0.150 0.000 1.744 1143 C CB -1.168 26.695 27.740 0.205 0.000 1.989 1143 C HN 0.619 nan 8.230 nan 0.000 0.491 1144 Q N -0.866 118.964 119.800 0.050 0.000 2.167 1144 Q HA -0.202 4.138 4.340 0.000 0.000 0.202 1144 Q C 1.998 177.983 176.000 -0.025 0.000 0.970 1144 Q CA 1.663 57.462 55.803 -0.006 0.000 0.855 1144 Q CB -0.335 28.403 28.738 -0.001 0.000 0.911 1144 Q HN 0.867 nan 8.270 nan 0.000 0.438 1145 Y N 1.354 121.568 120.300 -0.144 0.000 2.145 1145 Y HA -0.212 4.338 4.550 0.000 0.000 0.286 1145 Y C 1.717 177.472 175.900 -0.242 0.000 1.145 1145 Y CA 1.371 59.322 58.100 -0.247 0.000 1.148 1145 Y CB -0.341 37.862 38.460 -0.427 0.000 0.981 1145 Y HN -0.013 nan 8.280 nan 0.000 0.507 1146 L N 0.146 121.066 121.223 -0.504 0.000 2.079 1146 L HA -0.257 4.083 4.340 0.000 0.000 0.210 1146 L C 2.807 179.535 176.870 -0.237 0.000 1.081 1146 L CA 1.320 55.881 54.840 -0.464 0.000 0.752 1146 L CB -1.113 40.802 42.059 -0.241 0.000 0.896 1146 L HN 0.400 nan 8.230 nan 0.000 0.433 1147 A N -0.019 122.735 122.820 -0.110 0.000 1.930 1147 A HA -0.177 4.143 4.320 0.000 0.000 0.217 1147 A C 2.395 179.962 177.584 -0.028 0.000 1.175 1147 A CA 1.273 53.325 52.037 0.024 0.000 0.627 1147 A CB -0.407 18.517 19.000 -0.127 0.000 0.815 1147 A HN 0.321 nan 8.150 nan 0.000 0.443 1148 R N -0.485 119.938 120.500 -0.129 0.000 2.075 1148 R HA -0.090 4.250 4.340 0.000 0.000 0.232 1148 R C 1.956 178.182 176.300 -0.124 0.000 1.126 1148 R CA 1.267 57.304 56.100 -0.105 0.000 0.963 1148 R CB -0.237 30.005 30.300 -0.097 0.000 0.858 1148 R HN 0.466 nan 8.270 nan 0.000 0.435 1149 E N 0.954 121.000 120.200 -0.257 0.000 2.110 1149 E HA -0.161 4.189 4.350 0.000 0.000 0.193 1149 E C 2.125 178.664 176.600 -0.103 0.000 0.988 1149 E CA 0.944 57.206 56.400 -0.230 0.000 0.804 1149 E CB -0.183 29.274 29.700 -0.406 0.000 0.745 1149 E HN 0.334 nan 8.360 nan 0.000 0.458 1150 L N 0.834 122.020 121.223 -0.062 0.000 2.046 1150 L HA -0.227 4.113 4.340 0.000 0.000 0.208 1150 L C 2.687 179.579 176.870 0.037 0.000 1.077 1150 L CA 1.252 56.090 54.840 -0.002 0.000 0.747 1150 L CB -0.333 41.758 42.059 0.054 0.000 0.896 1150 L HN 0.135 nan 8.230 nan 0.000 0.432 1151 Q N -0.061 119.793 119.800 0.090 0.000 2.061 1151 Q HA -0.274 4.066 4.340 0.000 0.000 0.204 1151 Q C 2.232 178.251 176.000 0.032 0.000 0.984 1151 Q CA 1.730 57.586 55.803 0.089 0.000 0.846 1151 Q CB -0.129 28.650 28.738 0.070 0.000 0.902 1151 Q HN 0.457 nan 8.270 nan 0.000 0.421 1152 K N 0.390 120.792 120.400 0.004 0.000 2.147 1152 K HA -0.101 4.219 4.320 0.000 0.000 0.205 1152 K C 1.671 178.269 176.600 -0.004 0.000 1.049 1152 K CA 0.833 57.118 56.287 -0.003 0.000 0.936 1152 K CB -0.027 32.464 32.500 -0.015 0.000 0.722 1152 K HN 0.206 nan 8.250 nan 0.000 0.446 1153 L N -0.054 121.163 121.223 -0.009 0.000 2.627 1153 L HA 0.115 4.456 4.340 0.000 0.000 0.232 1153 L C 0.942 177.806 176.870 -0.011 0.000 1.150 1153 L CA 0.179 55.012 54.840 -0.011 0.000 0.917 1153 L CB 0.001 42.051 42.059 -0.016 0.000 1.104 1153 L HN 0.439 nan 8.230 nan 0.000 0.445 1154 G N -0.049 108.750 108.800 -0.002 0.000 2.157 1154 G HA2 -0.269 3.691 3.960 0.000 0.000 0.248 1154 G HA3 -0.269 3.691 3.960 0.000 0.000 0.248 1154 G C 0.420 175.316 174.900 -0.007 0.000 0.979 1154 G CA 0.023 45.124 45.100 0.002 0.000 0.650 1154 G HN 0.502 nan 8.290 nan 0.000 0.529 1155 A N 0.108 122.910 122.820 -0.031 0.000 2.386 1155 A HA 0.784 5.104 4.320 0.000 0.000 0.248 1155 A C 0.832 178.369 177.584 -0.078 0.000 1.082 1155 A CA 1.207 53.182 52.037 -0.103 0.000 0.789 1155 A CB 0.422 19.291 19.000 -0.218 0.000 1.025 1155 A HN 1.723 nan 8.150 nan 0.000 0.490 1156 T N -1.411 113.075 114.554 -0.112 0.000 2.930 1156 T HA 0.775 5.125 4.350 0.000 0.000 0.290 1156 T C -0.719 173.844 174.700 -0.228 0.000 1.052 1156 T CA -0.488 61.633 62.100 0.035 0.000 1.017 1156 T CB 1.062 70.056 68.868 0.211 0.000 1.137 1156 T HN 0.323 nan 8.240 nan 0.000 0.511 1157 F N 0.064 120.001 119.950 -0.021 0.000 2.563 1157 F HA 0.730 5.257 4.527 0.000 0.000 0.316 1157 F C 0.235 175.986 175.800 -0.082 0.000 1.076 1157 F CA -0.787 57.128 58.000 -0.142 0.000 0.921 1157 F CB 2.352 41.298 39.000 -0.090 0.000 1.209 1157 F HN 0.839 nan 8.300 nan 0.000 0.462 1158 E N 2.184 122.389 120.200 0.008 0.000 2.321 1158 E HA 0.353 4.703 4.350 0.000 0.000 0.281 1158 E C -1.331 175.273 176.600 0.007 0.000 0.910 1158 E CA -0.861 55.572 56.400 0.055 0.000 0.770 1158 E CB 1.482 31.270 29.700 0.147 0.000 1.225 1158 E HN 0.614 nan 8.360 nan 0.000 0.417 1159 R N 3.088 123.599 120.500 0.018 0.000 2.347 1159 R HA 0.379 4.719 4.340 0.000 0.000 0.304 1159 R C 0.019 176.316 176.300 -0.005 0.000 1.072 1159 R CA 0.063 56.158 56.100 -0.009 0.000 0.980 1159 R CB 0.899 31.191 30.300 -0.013 0.000 0.986 1159 R HN 0.434 nan 8.270 nan 0.000 0.448 1160 R N 1.288 121.776 120.500 -0.021 0.000 2.604 1160 R HA 0.192 4.532 4.340 0.000 0.000 0.261 1160 R C -1.592 174.694 176.300 -0.023 0.000 1.080 1160 R CA -0.427 55.665 56.100 -0.013 0.000 0.917 1160 R CB 2.175 32.472 30.300 -0.005 0.000 1.252 1160 R HN 0.504 nan 8.270 nan 0.000 0.456 1161 T N 3.146 117.692 114.554 -0.014 0.000 2.821 1161 T HA 0.295 4.645 4.350 0.000 0.000 0.307 1161 T C -0.502 174.194 174.700 -0.006 0.000 1.034 1161 T CA -0.435 61.658 62.100 -0.012 0.000 0.953 1161 T CB 1.219 70.083 68.868 -0.007 0.000 0.968 1161 T HN 0.211 nan 8.240 nan 0.000 0.462 1162 V N 4.018 123.926 119.914 -0.009 0.000 2.546 1162 V HA 0.329 4.449 4.120 0.000 0.000 0.284 1162 V C 1.575 177.672 176.094 0.004 0.000 1.050 1162 V CA -0.090 62.209 62.300 -0.002 0.000 0.981 1162 V CB 1.475 33.293 31.823 -0.010 0.000 0.990 1162 V HN 1.092 nan 8.190 nan 0.000 0.474 1163 T N -0.753 113.807 114.554 0.011 0.000 2.975 1163 T HA 0.246 4.596 4.350 0.000 0.000 0.257 1163 T C 0.509 175.220 174.700 0.020 0.000 1.003 1163 T CA 0.249 62.356 62.100 0.012 0.000 0.932 1163 T CB 0.450 69.323 68.868 0.010 0.000 1.087 1163 T HN 0.540 nan 8.240 nan 0.000 0.512 1164 S N -0.470 115.247 115.700 0.029 0.000 2.543 1164 S HA 0.530 5.000 4.470 0.000 0.000 0.271 1164 S C 0.447 175.089 174.600 0.069 0.000 1.148 1164 S CA -0.783 57.443 58.200 0.042 0.000 0.914 1164 S CB 1.218 64.439 63.200 0.035 0.000 1.096 1164 S HN 0.256 nan 8.310 nan 0.000 0.471 1165 L N 2.967 124.250 121.223 0.100 0.000 2.081 1165 L HA -0.121 4.219 4.340 0.000 0.000 0.212 1165 L C 2.762 179.793 176.870 0.268 0.000 1.080 1165 L CA 1.826 56.779 54.840 0.188 0.000 0.754 1165 L CB -0.371 41.829 42.059 0.236 0.000 0.893 1165 L HN 0.841 nan 8.230 nan 0.000 0.433 1166 E N 0.364 120.668 120.200 0.174 0.000 2.267 1166 E HA -0.291 4.059 4.350 0.000 0.000 0.197 1166 E C 1.686 178.377 176.600 0.152 0.000 0.998 1166 E CA 1.348 57.852 56.400 0.172 0.000 0.830 1166 E CB -0.394 29.352 29.700 0.077 0.000 0.751 1166 E HN 0.620 nan 8.360 nan 0.000 0.491 1167 Q N 0.212 120.072 119.800 0.099 0.000 2.297 1167 Q HA 0.069 4.409 4.340 0.000 0.000 0.204 1167 Q C 2.020 178.039 176.000 0.032 0.000 0.962 1167 Q CA 1.450 57.287 55.803 0.057 0.000 0.879 1167 Q CB 0.002 28.761 28.738 0.035 0.000 0.947 1167 Q HN 0.481 nan 8.270 nan 0.000 0.462 1168 A N -0.157 122.671 122.820 0.014 0.000 2.044 1168 A HA 0.062 4.382 4.320 0.000 0.000 0.213 1168 A C 0.673 178.117 177.584 -0.234 0.000 1.169 1168 A CA 0.018 51.975 52.037 -0.132 0.000 0.724 1168 A CB 0.013 18.871 19.000 -0.237 0.000 0.840 1168 A HN 0.252 nan 8.150 nan 0.000 0.463 1169 F N 2.308 122.257 119.950 -0.001 0.000 2.783 1169 F HA 0.132 4.659 4.527 0.000 0.000 0.338 1169 F C -0.192 175.608 175.800 0.000 0.000 1.178 1169 F CA -0.648 57.350 58.000 -0.004 0.000 1.343 1169 F CB 0.113 39.107 39.000 -0.009 0.000 1.496 1169 F HN 0.241 nan 8.300 nan 0.000 0.583 1170 D N -0.476 119.957 120.400 0.054 0.000 2.485 1170 D HA 0.356 4.996 4.640 0.000 0.000 0.221 1170 D C 1.165 177.474 176.300 0.016 0.000 1.112 1170 D CA -0.697 53.326 54.000 0.039 0.000 0.911 1170 D CB 0.913 41.729 40.800 0.026 0.000 1.019 1170 D HN 0.426 nan 8.370 nan 0.000 0.516 1171 G N 0.893 109.709 108.800 0.026 0.000 2.159 1171 G HA2 0.049 4.009 3.960 0.000 0.000 0.256 1171 G HA3 0.049 4.009 3.960 0.000 0.000 0.256 1171 G C 0.210 175.127 174.900 0.029 0.000 0.977 1171 G CA 0.085 45.188 45.100 0.006 0.000 0.652 1171 G HN 1.176 nan 8.290 nan 0.000 0.531 1172 A N -0.923 121.932 122.820 0.059 0.000 2.572 1172 A HA 0.705 5.025 4.320 0.000 0.000 0.295 1172 A C 0.013 177.699 177.584 0.170 0.000 1.072 1172 A CA 0.199 52.281 52.037 0.076 0.000 0.691 1172 A CB 0.997 20.015 19.000 0.031 0.000 1.291 1172 A HN -0.024 nan 8.150 nan 0.000 0.404 1173 D N 0.326 120.808 120.400 0.137 0.000 2.349 1173 D HA 0.189 4.829 4.640 0.000 0.000 0.214 1173 D C -0.274 176.174 176.300 0.248 0.000 1.063 1173 D CA 0.753 54.882 54.000 0.215 0.000 0.847 1173 D CB 0.599 41.494 40.800 0.158 0.000 0.933 1173 D HN 0.369 nan 8.370 nan 0.000 0.513 1174 L N 0.643 121.925 121.223 0.099 0.000 2.438 1174 L HA 0.423 4.763 4.340 0.000 0.000 0.270 1174 L C -1.529 175.297 176.870 -0.073 0.000 0.972 1174 L CA -0.603 54.281 54.840 0.073 0.000 0.831 1174 L CB 2.302 44.299 42.059 -0.104 0.000 1.273 1174 L HN -0.373 nan 8.230 nan 0.000 0.405 1175 V N 5.070 124.876 119.914 -0.181 0.000 2.540 1175 V HA 0.433 4.554 4.120 0.000 0.000 0.302 1175 V C -0.379 175.599 176.094 -0.194 0.000 1.035 1175 V CA -0.677 61.396 62.300 -0.377 0.000 0.873 1175 V CB 2.178 33.480 31.823 -0.868 0.000 0.992 1175 V HN 0.465 nan 8.190 nan 0.000 0.428 1176 V N 4.615 124.426 119.914 -0.172 0.000 2.406 1176 V HA 0.258 4.378 4.120 0.000 0.000 0.272 1176 V C 0.563 176.603 176.094 -0.090 0.000 1.043 1176 V CA -0.387 61.844 62.300 -0.116 0.000 0.915 1176 V CB 1.179 32.932 31.823 -0.116 0.000 0.988 1176 V HN 0.929 nan 8.190 nan 0.000 0.466 1177 N N 4.433 123.114 118.700 -0.033 0.000 2.521 1177 N HA 0.394 5.134 4.740 0.000 0.000 0.236 1177 N C -0.020 175.581 175.510 0.152 0.000 1.067 1177 N CA -0.265 52.810 53.050 0.042 0.000 0.939 1177 N CB 0.851 39.402 38.487 0.107 0.000 1.201 1177 N HN 0.775 nan 8.380 nan 0.000 0.511 1178 A N 3.067 125.938 122.820 0.085 0.000 3.113 1178 A HA 0.150 4.470 4.320 0.000 0.000 0.307 1178 A C 0.910 178.559 177.584 0.107 0.000 1.025 1178 A CA -0.544 51.574 52.037 0.135 0.000 1.012 1178 A CB -0.360 18.679 19.000 0.065 0.000 1.085 1178 A HN 0.672 nan 8.150 nan 0.000 0.519 1179 T N -3.548 111.045 114.554 0.065 0.000 3.145 1179 T HA 0.448 4.798 4.350 0.000 0.000 0.255 1179 T C 1.353 176.087 174.700 0.057 0.000 1.039 1179 T CA 1.062 63.177 62.100 0.025 0.000 0.928 1179 T CB -0.219 68.623 68.868 -0.043 0.000 1.029 1179 T HN 1.813 nan 8.240 nan 0.000 0.554 1180 G N 2.557 111.441 108.800 0.139 0.000 2.629 1180 G HA2 -0.343 3.617 3.960 0.000 0.000 0.313 1180 G HA3 -0.343 3.617 3.960 0.000 0.000 0.313 1180 G C 0.722 175.683 174.900 0.102 0.000 1.217 1180 G CA 0.430 45.641 45.100 0.185 0.000 0.994 1180 G HN 0.503 nan 8.290 nan 0.000 0.549 1181 L N 2.038 123.327 121.223 0.110 0.000 2.275 1181 L HA 0.106 4.447 4.340 0.000 0.000 0.215 1181 L C 3.165 180.097 176.870 0.104 0.000 1.119 1181 L CA 1.330 56.235 54.840 0.108 0.000 0.790 1181 L CB -0.741 41.386 42.059 0.113 0.000 0.919 1181 L HN 0.696 nan 8.230 nan 0.000 0.443 1182 G N -0.350 108.488 108.800 0.064 0.000 2.509 1182 G HA2 -0.193 3.767 3.960 0.000 0.000 0.218 1182 G HA3 -0.193 3.767 3.960 0.000 0.000 0.218 1182 G C 1.755 176.628 174.900 -0.045 0.000 1.124 1182 G CA 0.663 45.783 45.100 0.035 0.000 0.776 1182 G HN 0.453 nan 8.290 nan 0.000 0.547 1183 A N 0.755 123.468 122.820 -0.179 0.000 2.032 1183 A HA -0.079 4.241 4.320 0.000 0.000 0.221 1183 A C 2.150 179.652 177.584 -0.136 0.000 1.165 1183 A CA 2.085 53.925 52.037 -0.327 0.000 0.645 1183 A CB -0.344 18.051 19.000 -1.008 0.000 0.807 1183 A HN 0.456 nan 8.150 nan 0.000 0.453 1184 K N -0.616 119.764 120.400 -0.033 0.000 2.155 1184 K HA -0.009 4.311 4.320 0.000 0.000 0.203 1184 K C 1.153 177.768 176.600 0.025 0.000 1.052 1184 K CA 1.531 57.837 56.287 0.031 0.000 0.948 1184 K CB -0.044 32.516 32.500 0.100 0.000 0.728 1184 K HN 0.374 nan 8.250 nan 0.000 0.448 1185 S N 0.136 115.848 115.700 0.021 0.000 2.559 1185 S HA 0.291 4.761 4.470 0.000 0.000 0.226 1185 S C 0.087 174.693 174.600 0.010 0.000 1.000 1185 S CA -0.486 57.724 58.200 0.016 0.000 0.948 1185 S CB 0.350 63.560 63.200 0.017 0.000 0.870 1185 S HN 0.153 nan 8.310 nan 0.000 0.497 1186 I N 2.708 123.281 120.570 0.005 0.000 2.352 1186 I HA 0.295 4.465 4.170 0.000 0.000 0.290 1186 I C 0.596 176.728 176.117 0.024 0.000 1.036 1186 I CA -0.639 60.668 61.300 0.012 0.000 1.336 1186 I CB 0.937 38.941 38.000 0.006 0.000 1.407 1186 I HN 0.103 nan 8.210 nan 0.000 0.497 1187 A N 4.914 127.750 122.820 0.027 0.000 2.520 1187 A HA 0.444 4.764 4.320 0.000 0.000 0.245 1187 A C 1.252 178.864 177.584 0.047 0.000 1.072 1187 A CA 0.704 52.760 52.037 0.031 0.000 0.761 1187 A CB -0.237 18.778 19.000 0.025 0.000 1.004 1187 A HN 1.203 nan 8.150 nan 0.000 0.499 1188 G N 1.258 110.087 108.800 0.049 0.000 2.232 1188 G HA2 -0.246 3.714 3.960 0.000 0.000 0.226 1188 G HA3 -0.246 3.714 3.960 0.000 0.000 0.226 1188 G C 0.679 175.637 174.900 0.096 0.000 0.996 1188 G CA 0.541 45.680 45.100 0.066 0.000 0.626 1188 G HN 0.712 nan 8.290 nan 0.000 0.509 1189 I N -0.452 120.170 120.570 0.086 0.000 3.345 1189 I HA 0.213 4.383 4.170 0.000 0.000 0.258 1189 I C 0.930 177.078 176.117 0.052 0.000 1.134 1189 I CA 0.472 61.831 61.300 0.097 0.000 1.457 1189 I CB -0.031 38.017 38.000 0.080 0.000 1.425 1189 I HN 0.014 nan 8.210 nan 0.000 0.461 1190 D N 2.253 122.671 120.400 0.031 0.000 2.751 1190 D HA -0.198 4.442 4.640 0.000 0.000 0.233 1190 D C -0.201 176.120 176.300 0.034 0.000 1.149 1190 D CA 0.842 54.859 54.000 0.028 0.000 0.682 1190 D CB -1.195 39.623 40.800 0.029 0.000 1.068 1190 D HN 0.333 nan 8.370 nan 0.000 0.429 1191 D N 0.996 121.418 120.400 0.036 0.000 2.374 1191 D HA 0.049 4.689 4.640 0.000 0.000 0.240 1191 D C 1.512 177.857 176.300 0.075 0.000 1.229 1191 D CA -0.092 53.948 54.000 0.067 0.000 0.895 1191 D CB 0.712 41.593 40.800 0.135 0.000 1.046 1191 D HN -0.013 nan 8.370 nan 0.000 0.498 1192 Q N 2.527 122.364 119.800 0.062 0.000 2.437 1192 Q HA -0.057 4.283 4.340 0.000 0.000 0.210 1192 Q C 1.489 177.535 176.000 0.077 0.000 0.972 1192 Q CA 0.587 56.430 55.803 0.067 0.000 0.903 1192 Q CB -0.050 28.718 28.738 0.049 0.000 0.967 1192 Q HN 0.602 nan 8.270 nan 0.000 0.486 1193 A N 0.691 123.556 122.820 0.074 0.000 2.119 1193 A HA 0.280 4.600 4.320 0.000 0.000 0.216 1193 A C 1.173 178.808 177.584 0.086 0.000 1.152 1193 A CA 0.545 52.621 52.037 0.065 0.000 0.708 1193 A CB -0.162 18.861 19.000 0.039 0.000 0.805 1193 A HN 0.249 nan 8.150 nan 0.000 0.460 1194 A N 1.032 123.929 122.820 0.128 0.000 2.511 1194 A HA 0.454 4.774 4.320 0.000 0.000 0.242 1194 A C 0.175 177.823 177.584 0.107 0.000 1.069 1194 A CA 0.410 52.530 52.037 0.140 0.000 0.763 1194 A CB -0.192 18.904 19.000 0.159 0.000 1.001 1194 A HN 0.675 nan 8.150 nan 0.000 0.498 1195 E N 2.336 122.564 120.200 0.047 0.000 2.352 1195 E HA 0.586 4.936 4.350 0.000 0.000 0.280 1195 E C -3.230 173.277 176.600 -0.154 0.000 0.930 1195 E CA -2.187 54.202 56.400 -0.018 0.000 0.765 1195 E CB 2.295 31.999 29.700 0.006 0.000 1.219 1195 E HN 0.375 nan 8.360 nan 0.000 0.434 1196 P HA 0.299 nan 4.420 nan 0.000 0.277 1196 P C -0.407 176.742 177.300 -0.251 0.000 1.240 1196 P CA -0.419 62.408 63.100 -0.455 0.000 0.798 1196 P CB 1.019 32.133 31.700 -0.977 0.000 0.979 1197 I N 1.768 122.243 120.570 -0.159 0.000 2.466 1197 I HA 0.348 4.518 4.170 0.000 0.000 0.279 1197 I C 0.873 176.935 176.117 -0.092 0.000 1.033 1197 I CA -0.891 60.362 61.300 -0.078 0.000 1.123 1197 I CB 1.504 39.511 38.000 0.012 0.000 1.237 1197 I HN 0.251 nan 8.210 nan 0.000 0.460 1198 R N 4.440 124.871 120.500 -0.115 0.000 2.489 1198 R HA 0.444 4.784 4.340 0.000 0.000 0.287 1198 R C -0.030 176.179 176.300 -0.152 0.000 1.053 1198 R CA -0.004 56.018 56.100 -0.131 0.000 1.036 1198 R CB 0.813 31.049 30.300 -0.108 0.000 0.966 1198 R HN 0.807 nan 8.270 nan 0.000 0.432 1199 G N 3.811 112.512 108.800 -0.166 0.000 2.730 1199 G HA2 0.152 4.112 3.960 0.000 0.000 0.291 1199 G HA3 0.152 4.112 3.960 0.000 0.000 0.291 1199 G C -1.369 173.432 174.900 -0.166 0.000 1.456 1199 G CA -0.496 44.488 45.100 -0.192 0.000 0.996 1199 G HN 0.626 nan 8.290 nan 0.000 0.528 1200 Q N 1.240 120.943 119.800 -0.163 0.000 2.241 1200 Q HA 0.676 5.016 4.340 0.000 0.000 0.254 1200 Q C -0.003 175.925 176.000 -0.120 0.000 0.917 1200 Q CA -0.502 55.221 55.803 -0.134 0.000 0.919 1200 Q CB 1.397 30.069 28.738 -0.110 0.000 1.237 1200 Q HN 0.626 nan 8.270 nan 0.000 0.434 1201 T N -1.050 113.460 114.554 -0.074 0.000 2.865 1201 T HA 0.658 5.008 4.350 0.000 0.000 0.294 1201 T C -0.925 173.764 174.700 -0.019 0.000 1.119 1201 T CA -0.759 61.302 62.100 -0.066 0.000 1.007 1201 T CB 1.348 70.210 68.868 -0.010 0.000 1.225 1201 T HN 0.298 nan 8.240 nan 0.000 0.515 1202 V N 2.003 121.890 119.914 -0.046 0.000 2.409 1202 V HA 0.550 4.670 4.120 0.000 0.000 0.291 1202 V C -0.456 175.586 176.094 -0.085 0.000 1.020 1202 V CA -0.884 61.368 62.300 -0.080 0.000 0.848 1202 V CB 1.106 32.891 31.823 -0.063 0.000 0.990 1202 V HN 0.926 nan 8.190 nan 0.000 0.430 1203 L N 6.836 127.997 121.223 -0.102 0.000 2.290 1203 L HA 0.649 4.989 4.340 0.000 0.000 0.284 1203 L C -0.359 176.460 176.870 -0.085 0.000 1.078 1203 L CA 0.501 55.300 54.840 -0.069 0.000 0.815 1203 L CB 1.312 43.346 42.059 -0.042 0.000 1.162 1203 L HN 0.465 nan 8.230 nan 0.000 0.435 1204 V N 4.459 124.338 119.914 -0.058 0.000 2.680 1204 V HA 0.444 4.564 4.120 0.000 0.000 0.309 1204 V C -0.380 175.695 176.094 -0.032 0.000 1.052 1204 V CA -1.000 61.272 62.300 -0.047 0.000 0.908 1204 V CB 1.864 33.666 31.823 -0.036 0.000 1.001 1204 V HN 0.675 nan 8.190 nan 0.000 0.431 1205 K N 2.974 123.359 120.400 -0.026 0.000 2.284 1205 K HA 0.605 4.925 4.320 0.000 0.000 0.287 1205 K C -0.468 176.125 176.600 -0.011 0.000 1.081 1205 K CA 0.473 56.750 56.287 -0.016 0.000 0.910 1205 K CB 0.684 33.177 32.500 -0.012 0.000 1.088 1205 K HN 0.803 nan 8.250 nan 0.000 0.478 1206 S N 4.723 120.417 115.700 -0.009 0.000 2.542 1206 S HA 0.422 4.892 4.470 0.000 0.000 0.276 1206 S C -2.509 172.088 174.600 -0.004 0.000 1.148 1206 S CA -1.050 57.146 58.200 -0.005 0.000 0.886 1206 S CB 1.204 64.402 63.200 -0.004 0.000 1.109 1206 S HN 0.505 nan 8.310 nan 0.000 0.458 1207 P HA 0.150 nan 4.420 nan 0.000 0.245 1207 P C 0.815 178.116 177.300 0.001 0.000 1.212 1207 P CA -0.035 63.064 63.100 -0.002 0.000 0.774 1207 P CB -0.761 30.939 31.700 -0.001 0.000 0.999 1208 C N 2.255 121.557 119.300 0.003 0.000 2.523 1208 C HA 0.037 4.497 4.460 0.000 0.000 0.406 1208 C C 1.603 176.597 174.990 0.007 0.000 1.449 1208 C CA 0.197 59.219 59.018 0.006 0.000 1.588 1208 C CB -0.898 26.848 27.740 0.010 0.000 2.514 1208 C HN 0.160 nan 8.230 nan 0.000 0.606 1209 K N 4.137 124.542 120.400 0.009 0.000 2.387 1209 K HA 0.136 4.456 4.320 0.000 0.000 0.203 1209 K C 0.564 177.175 176.600 0.017 0.000 1.030 1209 K CA 0.044 56.339 56.287 0.013 0.000 1.099 1209 K CB 0.141 32.651 32.500 0.016 0.000 0.863 1209 K HN 0.701 nan 8.250 nan 0.000 0.529 1210 R N 0.765 121.273 120.500 0.013 0.000 2.265 1210 R HA 0.183 4.523 4.340 0.000 0.000 0.319 1210 R C -0.898 175.407 176.300 0.008 0.000 1.006 1210 R CA -0.197 55.907 56.100 0.007 0.000 0.880 1210 R CB 0.911 31.215 30.300 0.006 0.000 1.077 1210 R HN 0.037 nan 8.270 nan 0.000 0.454 1211 C N 3.669 122.966 119.300 -0.004 0.000 2.330 1211 C HA 0.609 5.070 4.460 0.000 0.000 0.344 1211 C C -0.528 174.436 174.990 -0.043 0.000 1.273 1211 C CA 0.031 59.048 59.018 -0.000 0.000 1.879 1211 C CB 0.529 28.277 27.740 0.014 0.000 2.376 1211 C HN 0.841 nan 8.230 nan 0.000 0.534 1212 T N 8.323 122.875 114.554 -0.004 0.000 2.841 1212 T HA 0.480 4.830 4.350 0.000 0.000 0.285 1212 T C -0.547 174.172 174.700 0.032 0.000 0.991 1212 T CA -0.378 61.699 62.100 -0.038 0.000 0.966 1212 T CB 1.196 70.093 68.868 0.048 0.000 0.962 1212 T HN 0.651 nan 8.240 nan 0.000 0.438 1213 M N 3.446 123.028 119.600 -0.030 0.000 2.044 1213 M HA 0.389 4.869 4.480 0.000 0.000 0.333 1213 M C -0.688 175.682 176.300 0.118 0.000 1.004 1213 M CA -1.042 54.310 55.300 0.086 0.000 0.954 1213 M CB 0.761 33.402 32.600 0.069 0.000 1.468 1213 M HN 0.493 nan 8.290 nan 0.000 0.414 1214 D N 1.466 121.999 120.400 0.221 0.000 2.414 1214 D HA 0.410 5.050 4.640 0.000 0.000 0.232 1214 D C -0.269 176.190 176.300 0.265 0.000 1.070 1214 D CA -0.032 54.156 54.000 0.314 0.000 0.839 1214 D CB 1.097 42.124 40.800 0.378 0.000 1.079 1214 D HN 0.424 nan 8.370 nan 0.000 0.521 1215 S N 1.133 116.984 115.700 0.252 0.000 2.664 1215 S HA 0.006 4.476 4.470 0.000 0.000 0.245 1215 S C 1.491 176.200 174.600 0.182 0.000 1.019 1215 S CA -0.230 58.090 58.200 0.200 0.000 0.996 1215 S CB 0.237 63.532 63.200 0.157 0.000 0.878 1215 S HN 0.517 nan 8.310 nan 0.000 0.493 1216 S N 0.626 116.454 115.700 0.214 0.000 2.527 1216 S HA 0.047 4.517 4.470 0.000 0.000 0.222 1216 S C 0.292 174.964 174.600 0.121 0.000 0.985 1216 S CA 0.121 58.417 58.200 0.160 0.000 0.921 1216 S CB -0.028 63.264 63.200 0.153 0.000 0.772 1216 S HN 0.325 nan 8.310 nan 0.000 0.529 1217 D N 2.387 122.880 120.400 0.154 0.000 2.460 1217 D HA 0.365 5.005 4.640 0.000 0.000 0.232 1217 D C -1.923 174.450 176.300 0.121 0.000 1.079 1217 D CA -2.449 51.621 54.000 0.117 0.000 0.864 1217 D CB 1.940 42.806 40.800 0.110 0.000 1.048 1217 D HN 0.016 nan 8.370 nan 0.000 0.523 1218 P HA -0.026 nan 4.420 nan 0.000 0.228 1218 P C 0.722 178.069 177.300 0.078 0.000 1.151 1218 P CA 0.396 63.541 63.100 0.077 0.000 0.770 1218 P CB 0.322 32.054 31.700 0.053 0.000 0.786 1219 A N -1.328 121.536 122.820 0.073 0.000 2.275 1219 A HA 0.230 4.550 4.320 0.000 0.000 0.212 1219 A C 1.146 178.784 177.584 0.090 0.000 1.201 1219 A CA 0.322 52.398 52.037 0.064 0.000 0.843 1219 A CB -0.134 18.890 19.000 0.039 0.000 0.873 1219 A HN 0.164 nan 8.150 nan 0.000 0.492 1220 S N 0.865 116.648 115.700 0.138 0.000 2.385 1220 S HA 0.445 4.915 4.470 0.000 0.000 0.191 1220 S C -3.222 171.535 174.600 0.262 0.000 1.196 1220 S CA -1.175 57.149 58.200 0.207 0.000 1.178 1220 S CB 0.606 63.952 63.200 0.242 0.000 1.258 1220 S HN 0.040 nan 8.310 nan 0.000 0.430 1221 P HA 0.487 nan 4.420 nan 0.000 0.271 1221 P C -1.006 176.313 177.300 0.031 0.000 1.216 1221 P CA -0.069 63.156 63.100 0.209 0.000 0.771 1221 P CB 0.947 32.861 31.700 0.356 0.000 0.864 1222 A N 3.297 126.085 122.820 -0.055 0.000 2.549 1222 A HA 0.821 5.141 4.320 0.000 0.000 0.297 1222 A C -1.765 175.808 177.584 -0.019 0.000 1.061 1222 A CA -0.542 51.304 52.037 -0.318 0.000 0.690 1222 A CB 1.202 19.575 19.000 -1.046 0.000 1.287 1222 A HN 0.582 nan 8.150 nan 0.000 0.402 1223 Y N -1.374 118.889 120.300 -0.062 0.000 2.565 1223 Y HA 0.770 5.320 4.550 0.000 0.000 0.330 1223 Y C -1.471 174.425 175.900 -0.008 0.000 1.150 1223 Y CA -1.474 56.626 58.100 0.001 0.000 1.055 1223 Y CB 0.939 39.438 38.460 0.065 0.000 1.337 1223 Y HN 0.489 nan 8.280 nan 0.000 0.457 1224 I N 4.222 124.914 120.570 0.204 0.000 2.439 1224 I HA 0.453 4.623 4.170 0.000 0.000 0.283 1224 I C -1.101 175.096 176.117 0.133 0.000 1.023 1224 I CA -0.598 60.776 61.300 0.123 0.000 1.100 1224 I CB 1.635 39.672 38.000 0.063 0.000 1.238 1224 I HN 0.580 nan 8.210 nan 0.000 0.445 1225 I N 8.222 128.873 120.570 0.136 0.000 2.437 1225 I HA 0.338 4.508 4.170 0.000 0.000 0.279 1225 I C -2.444 173.687 176.117 0.022 0.000 1.028 1225 I CA -1.924 59.424 61.300 0.080 0.000 1.142 1225 I CB 1.528 39.578 38.000 0.083 0.000 1.266 1225 I HN 0.192 nan 8.210 nan 0.000 0.461 1226 P HA 0.171 nan 4.420 nan 0.000 0.268 1226 P C -0.997 176.273 177.300 -0.049 0.000 1.205 1226 P CA -0.214 62.877 63.100 -0.015 0.000 0.771 1226 P CB 0.518 32.216 31.700 -0.003 0.000 0.858 1227 R N 2.022 122.480 120.500 -0.070 0.000 2.837 1227 R HA 0.682 5.022 4.340 0.000 0.000 0.271 1227 R C -3.018 173.253 176.300 -0.049 0.000 0.993 1227 R CA -2.722 53.316 56.100 -0.104 0.000 0.931 1227 R CB 0.156 30.334 30.300 -0.205 0.000 1.206 1227 R HN 0.118 nan 8.270 nan 0.000 0.474 1228 P HA 0.035 nan 4.420 nan 0.000 0.261 1228 P C 0.307 177.643 177.300 0.059 0.000 1.183 1228 P CA 1.444 64.536 63.100 -0.014 0.000 0.761 1228 P CB 0.587 32.257 31.700 -0.051 0.000 0.785 1229 G N 2.493 111.301 108.800 0.012 0.000 2.183 1229 G HA2 0.090 4.050 3.960 0.000 0.000 0.168 1229 G HA3 0.090 4.050 3.960 0.000 0.000 0.168 1229 G C 0.645 175.552 174.900 0.012 0.000 1.008 1229 G CA 0.185 45.298 45.100 0.022 0.000 0.677 1229 G HN 0.959 nan 8.290 nan 0.000 0.498 1230 G N -0.834 107.966 108.800 -0.000 0.000 2.137 1230 G HA2 -0.123 3.837 3.960 0.000 0.000 0.237 1230 G HA3 -0.123 3.837 3.960 0.000 0.000 0.237 1230 G C -0.109 174.787 174.900 -0.006 0.000 1.002 1230 G CA 1.013 46.110 45.100 -0.005 0.000 0.702 1230 G HN 1.009 nan 8.290 nan 0.000 0.515 1231 E N -1.282 118.911 120.200 -0.011 0.000 2.312 1231 E HA 0.688 5.038 4.350 0.000 0.000 0.267 1231 E C -0.518 176.062 176.600 -0.034 0.000 0.894 1231 E CA -1.015 55.371 56.400 -0.023 0.000 0.773 1231 E CB 2.892 32.574 29.700 -0.030 0.000 1.241 1231 E HN 0.228 nan 8.360 nan 0.000 0.432 1232 V N 2.117 122.013 119.914 -0.031 0.000 2.709 1232 V HA 0.432 4.552 4.120 0.000 0.000 0.308 1232 V C -0.394 175.687 176.094 -0.022 0.000 1.062 1232 V CA -0.801 61.485 62.300 -0.022 0.000 0.901 1232 V CB 1.658 33.477 31.823 -0.006 0.000 1.003 1232 V HN 0.587 nan 8.190 nan 0.000 0.425 1233 I N 2.902 123.471 120.570 -0.002 0.000 2.315 1233 I HA 0.345 4.516 4.170 0.000 0.000 0.291 1233 I C -0.345 175.795 176.117 0.038 0.000 1.006 1233 I CA 0.007 61.320 61.300 0.022 0.000 1.265 1233 I CB 1.001 39.035 38.000 0.057 0.000 1.387 1233 I HN 0.564 nan 8.210 nan 0.000 0.475 1234 C N 5.532 124.808 119.300 -0.040 0.000 2.273 1234 C HA 0.777 5.237 4.460 0.000 0.000 0.328 1234 C C 0.845 175.651 174.990 -0.306 0.000 1.275 1234 C CA -0.397 58.544 59.018 -0.128 0.000 1.704 1234 C CB 0.012 27.697 27.740 -0.092 0.000 2.326 1234 C HN 0.952 nan 8.230 nan 0.000 0.517 1235 G N 1.481 109.848 108.800 -0.722 0.000 2.816 1235 G HA2 0.904 4.864 3.960 0.000 0.000 0.288 1235 G HA3 0.904 4.864 3.960 0.000 0.000 0.288 1235 G C -0.533 173.885 174.900 -0.804 0.000 1.334 1235 G CA -0.101 44.335 45.100 -1.108 0.000 0.978 1235 G HN 1.143 nan 8.290 nan 0.000 0.493 1236 G N -1.776 106.695 108.800 -0.548 0.000 2.489 1236 G HA2 0.736 4.696 3.960 0.000 0.000 0.305 1236 G HA3 0.736 4.696 3.960 0.000 0.000 0.305 1236 G C -0.797 173.949 174.900 -0.257 0.000 1.311 1236 G CA 0.503 45.310 45.100 -0.487 0.000 0.813 1236 G HN 1.465 nan 8.290 nan 0.000 0.480 1237 T N -2.935 111.416 114.554 -0.339 0.000 2.896 1237 T HA 0.671 5.021 4.350 0.000 0.000 0.297 1237 T C -1.589 172.763 174.700 -0.580 0.000 1.108 1237 T CA -0.662 61.279 62.100 -0.265 0.000 1.004 1237 T CB 2.114 70.892 68.868 -0.150 0.000 1.159 1237 T HN 0.634 nan 8.240 nan 0.000 0.499 1238 Y N 0.127 120.431 120.300 0.007 0.000 2.511 1238 Y HA 0.517 5.067 4.550 0.000 0.000 0.356 1238 Y C 0.912 176.796 175.900 -0.025 0.000 1.002 1238 Y CA -1.047 57.044 58.100 -0.015 0.000 1.127 1238 Y CB 1.102 39.547 38.460 -0.026 0.000 1.137 1238 Y HN 1.069 nan 8.280 nan 0.000 0.652 1239 G N 1.555 110.370 108.800 0.025 0.000 2.621 1239 G HA2 0.359 4.319 3.960 0.000 0.000 0.306 1239 G HA3 0.359 4.319 3.960 0.000 0.000 0.306 1239 G C -0.198 174.701 174.900 -0.002 0.000 0.893 1239 G CA -0.253 44.853 45.100 0.011 0.000 1.486 1239 G HN 0.261 nan 8.290 nan 0.000 0.477 1240 V N 2.550 122.475 119.914 0.020 0.000 2.485 1240 V HA 0.400 4.520 4.120 0.000 0.000 0.287 1240 V C 1.641 177.732 176.094 -0.006 0.000 1.022 1240 V CA 1.361 63.661 62.300 0.000 0.000 1.067 1240 V CB 0.575 32.406 31.823 0.013 0.000 0.967 1240 V HN 1.294 nan 8.190 nan 0.000 0.479 1241 G N 3.838 112.613 108.800 -0.043 0.000 2.184 1241 G HA2 -0.230 3.730 3.960 0.000 0.000 0.264 1241 G HA3 -0.230 3.730 3.960 0.000 0.000 0.264 1241 G C 0.051 174.963 174.900 0.020 0.000 0.975 1241 G CA 0.249 45.346 45.100 -0.006 0.000 0.642 1241 G HN 0.769 nan 8.290 nan 0.000 0.536 1242 D N -0.671 119.704 120.400 -0.042 0.000 2.313 1242 D HA 0.453 5.093 4.640 0.000 0.000 0.239 1242 D C 0.627 176.904 176.300 -0.039 0.000 1.142 1242 D CA -0.817 53.196 54.000 0.021 0.000 0.847 1242 D CB 0.351 41.154 40.800 0.005 0.000 1.082 1242 D HN 0.248 nan 8.370 nan 0.000 0.480 1243 W N 1.618 122.919 121.300 0.001 0.000 3.278 1243 W HA 0.107 4.767 4.660 0.000 0.000 0.308 1243 W C 0.471 176.981 176.519 -0.015 0.000 1.253 1243 W CA -0.587 56.758 57.345 -0.001 0.000 1.759 1243 W CB 0.256 29.721 29.460 0.007 0.000 1.093 1243 W HN 0.318 nan 8.180 nan 0.000 0.648 1244 D N 1.170 121.664 120.400 0.157 0.000 2.382 1244 D HA -0.002 4.638 4.640 0.000 0.000 0.259 1244 D C 0.860 177.176 176.300 0.028 0.000 1.224 1244 D CA 0.592 54.643 54.000 0.084 0.000 0.894 1244 D CB 0.922 41.749 40.800 0.045 0.000 1.127 1244 D HN 0.127 nan 8.370 nan 0.000 0.487 1245 L N 2.527 123.767 121.223 0.028 0.000 2.592 1245 L HA 0.044 4.384 4.340 0.000 0.000 0.227 1245 L C 1.151 177.991 176.870 -0.051 0.000 1.127 1245 L CA -0.103 54.722 54.840 -0.025 0.000 0.884 1245 L CB -0.324 41.740 42.059 0.009 0.000 1.065 1245 L HN 0.307 nan 8.230 nan 0.000 0.457 1246 S N -0.413 115.269 115.700 -0.031 0.000 2.601 1246 S HA 0.396 4.866 4.470 0.000 0.000 0.271 1246 S C -0.035 174.531 174.600 -0.056 0.000 1.305 1246 S CA -0.744 57.434 58.200 -0.037 0.000 1.022 1246 S CB 1.851 65.039 63.200 -0.021 0.000 0.940 1246 S HN -0.094 nan 8.310 nan 0.000 0.525 1247 V N 2.981 122.858 119.914 -0.061 0.000 2.470 1247 V HA 0.196 4.316 4.120 0.000 0.000 0.276 1247 V C 0.695 176.740 176.094 -0.081 0.000 1.040 1247 V CA -0.441 61.813 62.300 -0.077 0.000 1.008 1247 V CB 0.058 31.829 31.823 -0.088 0.000 0.990 1247 V HN 0.990 nan 8.190 nan 0.000 0.477 1248 N N 7.129 125.782 118.700 -0.078 0.000 2.408 1248 N HA 0.254 4.994 4.740 0.000 0.000 0.257 1248 N C -1.416 174.041 175.510 -0.088 0.000 1.064 1248 N CA -1.481 51.529 53.050 -0.068 0.000 0.952 1248 N CB 1.547 40.004 38.487 -0.051 0.000 1.093 1248 N HN 0.368 nan 8.380 nan 0.000 0.490 1249 P HA -0.116 nan 4.420 nan 0.000 0.219 1249 P C 0.310 177.568 177.300 -0.070 0.000 1.150 1249 P CA 1.224 64.260 63.100 -0.106 0.000 0.814 1249 P CB 0.314 31.960 31.700 -0.090 0.000 0.787 1250 E N -0.287 119.885 120.200 -0.047 0.000 2.077 1250 E HA -0.118 4.232 4.350 0.000 0.000 0.193 1250 E C 2.004 178.588 176.600 -0.027 0.000 0.989 1250 E CA 1.666 58.048 56.400 -0.030 0.000 0.800 1250 E CB -0.774 28.914 29.700 -0.021 0.000 0.746 1250 E HN 0.236 nan 8.360 nan 0.000 0.452 1251 T N 0.773 115.307 114.554 -0.034 0.000 2.788 1251 T HA -0.135 4.215 4.350 0.000 0.000 0.268 1251 T C 2.075 176.759 174.700 -0.028 0.000 1.044 1251 T CA 0.991 63.072 62.100 -0.031 0.000 1.139 1251 T CB -0.212 68.630 68.868 -0.043 0.000 0.867 1251 T HN -0.020 nan 8.240 nan 0.000 0.454 1252 V N 2.038 121.929 119.914 -0.038 0.000 2.252 1252 V HA -0.232 3.888 4.120 0.000 0.000 0.249 1252 V C 2.800 178.899 176.094 0.009 0.000 1.056 1252 V CA 1.628 63.922 62.300 -0.009 0.000 1.022 1252 V CB -0.648 31.136 31.823 -0.065 0.000 0.641 1252 V HN 0.476 nan 8.190 nan 0.000 0.445 1253 Q N -0.045 119.752 119.800 -0.005 0.000 2.084 1253 Q HA -0.225 4.115 4.340 0.000 0.000 0.202 1253 Q C 2.294 178.303 176.000 0.017 0.000 0.978 1253 Q CA 1.780 57.587 55.803 0.007 0.000 0.844 1253 Q CB -0.634 28.103 28.738 -0.001 0.000 0.898 1253 Q HN 0.631 nan 8.270 nan 0.000 0.426 1254 R N 0.621 121.129 120.500 0.014 0.000 2.073 1254 R HA -0.072 4.268 4.340 0.000 0.000 0.234 1254 R C 2.380 178.712 176.300 0.054 0.000 1.134 1254 R CA 1.010 57.131 56.100 0.034 0.000 0.952 1254 R CB -0.216 30.103 30.300 0.031 0.000 0.850 1254 R HN 0.219 nan 8.270 nan 0.000 0.433 1255 I N 0.975 121.554 120.570 0.015 0.000 2.179 1255 I HA -0.327 3.843 4.170 0.000 0.000 0.242 1255 I C 2.272 178.392 176.117 0.006 0.000 1.088 1255 I CA 1.330 62.619 61.300 -0.018 0.000 1.357 1255 I CB -0.224 37.733 38.000 -0.070 0.000 1.051 1255 I HN 0.257 nan 8.210 nan 0.000 0.409 1256 L N 0.224 121.458 121.223 0.018 0.000 2.093 1256 L HA -0.197 4.143 4.340 0.000 0.000 0.208 1256 L C 2.552 179.449 176.870 0.045 0.000 1.085 1256 L CA 1.362 56.217 54.840 0.025 0.000 0.755 1256 L CB -0.581 41.496 42.059 0.031 0.000 0.904 1256 L HN 0.188 nan 8.230 nan 0.000 0.435 1257 K N -0.854 119.578 120.400 0.053 0.000 2.057 1257 K HA -0.227 4.093 4.320 0.000 0.000 0.207 1257 K C 2.075 178.737 176.600 0.103 0.000 1.049 1257 K CA 1.570 57.891 56.287 0.057 0.000 0.931 1257 K CB -0.278 32.245 32.500 0.038 0.000 0.714 1257 K HN 0.419 nan 8.250 nan 0.000 0.440 1258 H N -0.211 118.861 119.070 0.003 0.000 2.299 1258 H HA -0.126 4.430 4.556 0.000 0.000 0.302 1258 H C 2.146 177.487 175.328 0.021 0.000 1.078 1258 H CA 1.385 57.440 56.048 0.012 0.000 1.323 1258 H CB 0.114 29.884 29.762 0.013 0.000 1.381 1258 H HN 0.199 nan 8.280 nan 0.000 0.498 1259 C N 0.539 119.912 119.300 0.120 0.000 2.413 1259 C HA -0.151 4.309 4.460 0.000 0.000 0.277 1259 C C 2.786 177.824 174.990 0.080 0.000 1.265 1259 C CA 0.866 59.914 59.018 0.050 0.000 1.752 1259 C CB -1.064 26.668 27.740 -0.013 0.000 1.998 1259 C HN 0.583 nan 8.230 nan 0.000 0.489 1260 L N 0.965 122.231 121.223 0.073 0.000 2.083 1260 L HA -0.098 4.242 4.340 0.000 0.000 0.209 1260 L C 2.704 179.613 176.870 0.066 0.000 1.083 1260 L CA 1.707 56.581 54.840 0.057 0.000 0.752 1260 L CB -0.568 41.516 42.059 0.041 0.000 0.899 1260 L HN 0.258 nan 8.230 nan 0.000 0.433 1261 R N -0.790 119.761 120.500 0.085 0.000 2.081 1261 R HA -0.146 4.194 4.340 0.000 0.000 0.235 1261 R C 2.216 178.571 176.300 0.092 0.000 1.131 1261 R CA 1.747 57.889 56.100 0.071 0.000 0.960 1261 R CB -0.611 29.723 30.300 0.057 0.000 0.856 1261 R HN 0.392 nan 8.270 nan 0.000 0.436 1262 L N -0.221 121.090 121.223 0.148 0.000 2.093 1262 L HA -0.068 4.272 4.340 0.000 0.000 0.208 1262 L C 0.470 177.417 176.870 0.128 0.000 1.085 1262 L CA 0.900 55.843 54.840 0.171 0.000 0.755 1262 L CB -0.055 42.131 42.059 0.212 0.000 0.904 1262 L HN 0.128 nan 8.230 nan 0.000 0.435 1263 D N -2.027 118.428 120.400 0.091 0.000 2.312 1263 D HA 0.147 4.787 4.640 0.000 0.000 0.229 1263 D C -2.174 174.154 176.300 0.047 0.000 1.337 1263 D CA -1.244 52.795 54.000 0.066 0.000 0.964 1263 D CB 1.458 42.295 40.800 0.062 0.000 1.456 1263 D HN -0.245 nan 8.370 nan 0.000 0.547 1264 P HA -0.069 nan 4.420 nan 0.000 0.225 1264 P C 1.264 178.577 177.300 0.022 0.000 1.148 1264 P CA 1.070 64.187 63.100 0.028 0.000 0.779 1264 P CB 0.065 31.779 31.700 0.023 0.000 0.780 1265 T N -3.004 111.563 114.554 0.023 0.000 3.160 1265 T HA -0.035 4.315 4.350 0.000 0.000 0.257 1265 T C 1.520 176.228 174.700 0.014 0.000 1.147 1265 T CA 0.156 62.266 62.100 0.016 0.000 1.064 1265 T CB -1.324 67.553 68.868 0.015 0.000 0.949 1265 T HN 0.264 nan 8.240 nan 0.000 0.526 1266 I N -0.837 119.743 120.570 0.016 0.000 3.176 1266 I HA 0.209 4.379 4.170 0.000 0.000 0.275 1266 I C 0.913 177.035 176.117 0.008 0.000 1.298 1266 I CA -0.219 61.088 61.300 0.011 0.000 1.445 1266 I CB -0.281 37.726 38.000 0.012 0.000 1.075 1266 I HN 0.189 nan 8.210 nan 0.000 0.482 1267 S N 0.624 116.330 115.700 0.010 0.000 2.621 1267 S HA 0.372 4.842 4.470 0.000 0.000 0.302 1267 S C 1.204 175.808 174.600 0.007 0.000 1.093 1267 S CA -0.088 58.117 58.200 0.008 0.000 1.017 1267 S CB 1.711 64.918 63.200 0.011 0.000 1.077 1267 S HN 0.429 nan 8.310 nan 0.000 0.517 1268 S N 1.203 116.906 115.700 0.006 0.000 2.428 1268 S HA -0.043 4.427 4.470 0.000 0.000 0.230 1268 S C 0.531 175.134 174.600 0.006 0.000 1.014 1268 S CA 1.178 59.381 58.200 0.005 0.000 0.957 1268 S CB -0.424 62.778 63.200 0.004 0.000 0.784 1268 S HN 0.857 nan 8.310 nan 0.000 0.499 1269 D N -1.290 119.114 120.400 0.007 0.000 2.594 1269 D HA 0.300 4.940 4.640 0.000 0.000 0.256 1269 D C 1.032 177.337 176.300 0.008 0.000 1.393 1269 D CA 0.120 54.124 54.000 0.007 0.000 0.797 1269 D CB -0.359 40.445 40.800 0.006 0.000 1.110 1269 D HN 0.457 nan 8.370 nan 0.000 0.495 1270 G N 0.487 109.293 108.800 0.010 0.000 2.153 1270 G HA2 -0.248 3.712 3.960 0.000 0.000 0.252 1270 G HA3 -0.248 3.712 3.960 0.000 0.000 0.252 1270 G C 0.398 175.306 174.900 0.013 0.000 0.994 1270 G CA 0.810 45.917 45.100 0.012 0.000 0.698 1270 G HN 0.957 nan 8.290 nan 0.000 0.521 1271 T N -2.739 111.822 114.554 0.011 0.000 2.932 1271 T HA 0.722 5.072 4.350 0.000 0.000 0.289 1271 T C 1.573 176.282 174.700 0.014 0.000 1.039 1271 T CA -0.479 61.628 62.100 0.012 0.000 1.024 1271 T CB 1.511 70.385 68.868 0.009 0.000 1.090 1271 T HN 0.073 nan 8.240 nan 0.000 0.496 1272 I N 0.774 121.353 120.570 0.015 0.000 2.208 1272 I HA -0.122 4.048 4.170 0.000 0.000 0.245 1272 I C 2.226 178.353 176.117 0.017 0.000 1.097 1272 I CA 1.564 62.875 61.300 0.018 0.000 1.363 1272 I CB -1.429 36.581 38.000 0.018 0.000 1.051 1272 I HN 0.731 nan 8.210 nan 0.000 0.413 1273 E N 0.650 120.859 120.200 0.014 0.000 2.338 1273 E HA -0.069 4.281 4.350 0.000 0.000 0.197 1273 E C 2.092 178.699 176.600 0.012 0.000 1.007 1273 E CA 0.853 57.261 56.400 0.014 0.000 0.849 1273 E CB -0.485 29.222 29.700 0.011 0.000 0.774 1273 E HN 0.525 nan 8.360 nan 0.000 0.506 1274 G N -0.052 108.755 108.800 0.011 0.000 3.042 1274 G HA2 0.099 4.059 3.960 0.000 0.000 0.212 1274 G HA3 0.099 4.059 3.960 0.000 0.000 0.212 1274 G C 0.372 175.277 174.900 0.008 0.000 1.166 1274 G CA -0.371 44.734 45.100 0.009 0.000 0.767 1274 G HN 0.123 nan 8.290 nan 0.000 0.546 1275 I N 1.313 121.889 120.570 0.009 0.000 2.396 1275 I HA 0.099 4.269 4.170 0.000 0.000 0.289 1275 I C 0.244 176.361 176.117 0.000 0.000 1.056 1275 I CA -0.184 61.119 61.300 0.005 0.000 1.365 1275 I CB 1.352 39.356 38.000 0.007 0.000 1.407 1275 I HN 0.058 nan 8.210 nan 0.000 0.509 1276 E N 6.836 127.033 120.200 -0.006 0.000 1.941 1276 E HA 0.204 4.554 4.350 0.000 0.000 0.275 1276 E C -0.948 175.637 176.600 -0.026 0.000 1.113 1276 E CA -0.504 55.890 56.400 -0.010 0.000 0.878 1276 E CB 0.699 30.394 29.700 -0.008 0.000 1.070 1276 E HN 0.375 nan 8.360 nan 0.000 0.399 1277 V N 6.642 126.536 119.914 -0.033 0.000 2.508 1277 V HA 0.005 4.125 4.120 0.000 0.000 0.281 1277 V C 1.218 177.262 176.094 -0.082 0.000 1.041 1277 V CA 0.185 62.436 62.300 -0.082 0.000 1.016 1277 V CB 1.133 32.901 31.823 -0.093 0.000 0.984 1277 V HN 0.802 nan 8.190 nan 0.000 0.478 1278 L N 3.973 125.135 121.223 -0.102 0.000 2.316 1278 L HA 0.380 4.720 4.340 0.000 0.000 0.207 1278 L C 1.069 177.891 176.870 -0.081 0.000 1.070 1278 L CA 0.526 55.326 54.840 -0.066 0.000 0.820 1278 L CB 0.176 42.210 42.059 -0.042 0.000 0.992 1278 L HN 0.576 nan 8.230 nan 0.000 0.466 1279 R N -0.977 119.427 120.500 -0.160 0.000 2.644 1279 R HA 0.271 4.611 4.340 0.000 0.000 0.257 1279 R C -1.471 174.657 176.300 -0.286 0.000 1.082 1279 R CA -0.663 55.359 56.100 -0.129 0.000 0.927 1279 R CB 1.343 31.649 30.300 0.010 0.000 1.258 1279 R HN -0.007 nan 8.270 nan 0.000 0.459 1280 H N 2.607 121.692 119.070 0.025 0.000 2.519 1280 H HA 0.371 4.927 4.556 0.000 0.000 0.316 1280 H C -0.618 174.697 175.328 -0.021 0.000 1.065 1280 H CA -0.531 55.514 56.048 -0.006 0.000 1.264 1280 H CB 1.376 31.126 29.762 -0.020 0.000 1.413 1280 H HN 0.421 nan 8.280 nan 0.000 0.465 1281 N N 2.260 120.982 118.700 0.036 0.000 2.269 1281 N HA 0.343 5.083 4.740 0.000 0.000 0.304 1281 N C -0.813 174.544 175.510 -0.255 0.000 1.072 1281 N CA -0.618 52.361 53.050 -0.118 0.000 0.802 1281 N CB 3.179 41.704 38.487 0.063 0.000 1.348 1281 N HN 0.172 nan 8.380 nan 0.000 0.484 1282 V N 0.221 119.822 119.914 -0.522 0.000 2.569 1282 V HA 0.716 4.836 4.120 0.000 0.000 0.301 1282 V C 0.274 175.885 176.094 -0.805 0.000 1.044 1282 V CA -0.798 61.220 62.300 -0.471 0.000 0.874 1282 V CB 1.691 33.340 31.823 -0.290 0.000 1.002 1282 V HN 0.819 nan 8.190 nan 0.000 0.424 1283 G N 3.760 112.190 108.800 -0.617 0.000 2.481 1283 G HA2 0.764 4.724 3.960 0.000 0.000 0.315 1283 G HA3 0.764 4.724 3.960 0.000 0.000 0.315 1283 G C -1.284 173.490 174.900 -0.211 0.000 1.231 1283 G CA -0.804 43.963 45.100 -0.555 0.000 0.968 1283 G HN 0.591 nan 8.290 nan 0.000 0.482 1284 L N 1.730 122.887 121.223 -0.110 0.000 2.276 1284 L HA 0.429 4.769 4.340 0.000 0.000 0.286 1284 L C 0.504 177.353 176.870 -0.037 0.000 1.024 1284 L CA -0.766 54.005 54.840 -0.114 0.000 0.826 1284 L CB 1.322 43.267 42.059 -0.188 0.000 1.211 1284 L HN 0.413 nan 8.230 nan 0.000 0.422 1285 R N 3.761 124.243 120.500 -0.029 0.000 2.537 1285 R HA 0.181 4.521 4.340 0.000 0.000 0.280 1285 R C -2.307 174.001 176.300 0.013 0.000 1.058 1285 R CA -1.405 54.718 56.100 0.038 0.000 1.057 1285 R CB 0.124 30.460 30.300 0.060 0.000 0.973 1285 R HN 0.294 nan 8.270 nan 0.000 0.438 1286 P HA 0.209 nan 4.420 nan 0.000 0.273 1286 P C -1.231 176.128 177.300 0.099 0.000 1.531 1286 P CA -0.214 62.934 63.100 0.080 0.000 1.027 1286 P CB 1.494 33.286 31.700 0.154 0.000 1.387 1287 A N 3.769 126.614 122.820 0.042 0.000 2.352 1287 A HA 0.918 5.238 4.320 0.000 0.000 0.299 1287 A C -0.357 177.248 177.584 0.034 0.000 1.160 1287 A CA -0.774 51.281 52.037 0.030 0.000 0.933 1287 A CB 1.243 20.245 19.000 0.003 0.000 1.387 1287 A HN 0.433 nan 8.150 nan 0.000 0.487 1288 R N -0.047 120.454 120.500 0.000 0.000 2.522 1288 R HA 0.281 4.621 4.340 0.000 0.000 0.273 1288 R C -1.259 175.026 176.300 -0.025 0.000 1.133 1288 R CA -0.498 55.603 56.100 0.001 0.000 0.969 1288 R CB 1.124 31.401 30.300 -0.038 0.000 1.235 1288 R HN 0.858 nan 8.270 nan 0.000 0.433 1289 R N 1.748 122.244 120.500 -0.006 0.000 2.489 1289 R HA 0.202 4.542 4.340 0.000 0.000 0.287 1289 R C 0.734 177.014 176.300 -0.033 0.000 1.053 1289 R CA 1.426 57.517 56.100 -0.015 0.000 1.036 1289 R CB 0.786 31.086 30.300 0.000 0.000 0.966 1289 R HN 1.003 nan 8.270 nan 0.000 0.432 1290 G N 1.125 109.899 108.800 -0.043 0.000 2.195 1290 G HA2 -0.154 3.806 3.960 0.000 0.000 0.224 1290 G HA3 -0.154 3.806 3.960 0.000 0.000 0.224 1290 G C 0.496 175.349 174.900 -0.079 0.000 0.990 1290 G CA -0.173 44.893 45.100 -0.056 0.000 0.639 1290 G HN 1.232 nan 8.290 nan 0.000 0.514 1291 G N -0.524 108.224 108.800 -0.086 0.000 2.757 1291 G HA2 0.270 4.230 3.960 0.000 0.000 0.638 1291 G HA3 0.270 4.230 3.960 0.000 0.000 0.638 1291 G C -2.010 172.781 174.900 -0.182 0.000 1.344 1291 G CA 0.087 45.122 45.100 -0.108 0.000 0.855 1291 G HN 0.969 nan 8.290 nan 0.000 0.537 1292 P HA 0.250 nan 4.420 nan 0.000 0.267 1292 P C -0.188 176.892 177.300 -0.366 0.000 1.200 1292 P CA 0.104 62.927 63.100 -0.461 0.000 0.772 1292 P CB 0.531 31.856 31.700 -0.626 0.000 0.855 1293 R N 2.176 122.347 120.500 -0.549 0.000 2.246 1293 R HA 0.467 4.808 4.340 0.000 0.000 0.332 1293 R C -1.441 174.713 176.300 -0.242 0.000 0.974 1293 R CA -0.602 55.242 56.100 -0.427 0.000 0.837 1293 R CB 0.586 30.453 30.300 -0.722 0.000 1.145 1293 R HN 0.242 nan 8.270 nan 0.000 0.467 1294 V N 5.984 125.881 119.914 -0.029 0.000 2.385 1294 V HA 0.292 4.412 4.120 0.000 0.000 0.277 1294 V C -0.876 175.289 176.094 0.118 0.000 1.012 1294 V CA -0.487 61.865 62.300 0.088 0.000 0.832 1294 V CB 1.114 33.040 31.823 0.171 0.000 1.028 1294 V HN 0.926 nan 8.190 nan 0.000 0.436 1295 E N 3.555 123.838 120.200 0.137 0.000 2.396 1295 E HA 0.795 5.145 4.350 0.000 0.000 0.280 1295 E C -1.276 175.420 176.600 0.161 0.000 1.065 1295 E CA -1.043 55.441 56.400 0.140 0.000 0.831 1295 E CB 2.130 31.904 29.700 0.122 0.000 1.272 1295 E HN 0.546 nan 8.360 nan 0.000 0.443 1296 A N 1.511 124.408 122.820 0.129 0.000 2.304 1296 A HA 0.539 4.859 4.320 0.000 0.000 0.323 1296 A C -0.608 177.037 177.584 0.102 0.000 1.195 1296 A CA -0.517 51.581 52.037 0.101 0.000 0.826 1296 A CB 1.251 20.323 19.000 0.120 0.000 1.184 1296 A HN 0.628 nan 8.150 nan 0.000 0.496 1297 E N 1.626 121.865 120.200 0.065 0.000 2.212 1297 E HA 0.478 4.828 4.350 0.000 0.000 0.268 1297 E C -0.779 175.797 176.600 -0.041 0.000 0.902 1297 E CA -0.861 55.574 56.400 0.058 0.000 0.779 1297 E CB 0.964 30.759 29.700 0.159 0.000 1.172 1297 E HN 0.573 nan 8.360 nan 0.000 0.409 1298 R N 3.749 124.192 120.500 -0.095 0.000 2.338 1298 R HA 0.517 4.857 4.340 0.000 0.000 0.317 1298 R C -0.620 175.596 176.300 -0.140 0.000 0.968 1298 R CA -0.536 55.443 56.100 -0.202 0.000 0.849 1298 R CB 0.680 30.787 30.300 -0.322 0.000 1.128 1298 R HN 0.556 nan 8.270 nan 0.000 0.448 1299 I N 2.188 122.655 120.570 -0.171 0.000 2.582 1299 I HA 0.294 4.464 4.170 0.000 0.000 0.292 1299 I C -0.215 175.784 176.117 -0.197 0.000 1.066 1299 I CA -1.149 60.061 61.300 -0.149 0.000 1.053 1299 I CB 2.574 40.500 38.000 -0.122 0.000 1.241 1299 I HN 0.075 nan 8.210 nan 0.000 0.421 1300 V N 6.609 126.438 119.914 -0.142 0.000 2.465 1300 V HA 0.411 4.531 4.120 0.000 0.000 0.279 1300 V C 0.055 176.067 176.094 -0.136 0.000 1.045 1300 V CA -0.390 61.827 62.300 -0.138 0.000 0.938 1300 V CB 1.428 33.194 31.823 -0.094 0.000 0.986 1300 V HN 0.438 nan 8.190 nan 0.000 0.467 1301 L N 6.593 127.724 121.223 -0.154 0.000 2.334 1301 L HA 0.560 4.900 4.340 0.000 0.000 0.273 1301 L C -2.413 174.409 176.870 -0.080 0.000 1.013 1301 L CA -1.985 52.782 54.840 -0.123 0.000 0.816 1301 L CB 2.460 44.419 42.059 -0.166 0.000 1.278 1301 L HN 0.423 nan 8.230 nan 0.000 0.431 1302 P HA 0.173 nan 4.420 nan 0.000 0.274 1302 P C -0.645 176.633 177.300 -0.037 0.000 1.237 1302 P CA -0.373 62.704 63.100 -0.039 0.000 0.793 1302 P CB 0.503 32.190 31.700 -0.022 0.000 0.977 1303 L N 1.824 123.032 121.223 -0.025 0.000 2.467 1303 L HA 0.199 4.539 4.340 0.000 0.000 0.270 1303 L C 0.938 177.801 176.870 -0.011 0.000 1.205 1303 L CA 0.169 54.999 54.840 -0.016 0.000 0.828 1303 L CB -0.133 41.925 42.059 -0.001 0.000 1.101 1303 L HN 0.489 nan 8.230 nan 0.000 0.479 1304 D N 0.496 120.890 120.400 -0.010 0.000 2.497 1304 D HA 0.221 4.861 4.640 0.000 0.000 0.243 1304 D C 0.447 176.745 176.300 -0.003 0.000 1.039 1304 D CA -0.942 53.054 54.000 -0.007 0.000 1.052 1304 D CB 1.039 41.833 40.800 -0.010 0.000 1.344 1304 D HN 0.161 nan 8.370 nan 0.000 0.553 1305 R N -0.517 119.982 120.500 -0.002 0.000 2.193 1305 R HA -0.073 4.267 4.340 0.000 0.000 0.229 1305 R C 1.797 178.097 176.300 0.000 0.000 1.110 1305 R CA 2.144 58.244 56.100 0.000 0.000 0.988 1305 R CB -1.016 29.284 30.300 -0.000 0.000 0.871 1305 R HN 0.705 nan 8.270 nan 0.000 0.458 1306 T N -2.373 112.180 114.554 -0.001 0.000 2.951 1306 T HA -0.093 4.257 4.350 0.000 0.000 0.268 1306 T C 1.761 176.461 174.700 0.001 0.000 1.073 1306 T CA 1.267 63.366 62.100 -0.001 0.000 1.134 1306 T CB -0.137 68.730 68.868 -0.003 0.000 0.884 1306 T HN 0.223 nan 8.240 nan 0.000 0.479 1307 K N 1.465 121.865 120.400 0.000 0.000 2.228 1307 K HA 0.165 4.485 4.320 0.000 0.000 0.202 1307 K C 0.643 177.249 176.600 0.010 0.000 1.051 1307 K CA 0.538 56.827 56.287 0.004 0.000 0.960 1307 K CB 0.069 32.569 32.500 0.001 0.000 0.743 1307 K HN 0.320 nan 8.250 nan 0.000 0.458 1308 S N -0.537 115.168 115.700 0.009 0.000 2.649 1308 S HA 0.384 4.854 4.470 0.000 0.000 0.274 1308 S C -2.583 172.023 174.600 0.010 0.000 1.176 1308 S CA -1.427 56.781 58.200 0.013 0.000 0.988 1308 S CB 1.577 64.787 63.200 0.017 0.000 1.071 1308 S HN -0.045 nan 8.310 nan 0.000 0.478 1309 P HA 0.036 nan 4.420 nan 0.000 0.220 1309 P C 0.789 178.092 177.300 0.005 0.000 1.148 1309 P CA 0.893 63.996 63.100 0.006 0.000 0.803 1309 P CB 0.061 31.765 31.700 0.007 0.000 0.782 1310 L N -1.184 120.043 121.223 0.008 0.000 2.629 1310 L HA 0.125 4.465 4.340 0.000 0.000 0.230 1310 L C 0.971 177.846 176.870 0.008 0.000 1.151 1310 L CA -0.228 54.617 54.840 0.007 0.000 0.924 1310 L CB -0.721 41.343 42.059 0.008 0.000 1.137 1310 L HN -0.019 nan 8.230 nan 0.000 0.457 1311 S N 0.766 116.471 115.700 0.008 0.000 2.568 1311 S HA 0.328 4.798 4.470 0.000 0.000 0.282 1311 S C 0.031 174.635 174.600 0.006 0.000 1.338 1311 S CA -0.524 57.681 58.200 0.008 0.000 1.045 1311 S CB 0.817 64.020 63.200 0.006 0.000 0.873 1311 S HN 0.160 nan 8.310 nan 0.000 0.516 1312 L N 2.597 123.824 121.223 0.007 0.000 2.439 1312 L HA 0.668 5.008 4.340 0.000 0.000 0.259 1312 L C 1.306 178.178 176.870 0.003 0.000 1.129 1312 L CA 0.123 54.966 54.840 0.005 0.000 0.803 1312 L CB -0.108 41.956 42.059 0.008 0.000 1.161 1312 L HN 1.233 nan 8.230 nan 0.000 0.462 1313 G N 1.070 109.871 108.800 0.002 0.000 2.681 1313 G HA2 -0.199 3.761 3.960 0.000 0.000 0.220 1313 G HA3 -0.199 3.761 3.960 0.000 0.000 0.220 1313 G C -0.569 174.331 174.900 -0.000 0.000 1.353 1313 G CA -0.677 44.424 45.100 0.001 0.000 0.872 1313 G HN 0.610 nan 8.290 nan 0.000 0.557 1314 R N 0.295 120.794 120.500 -0.001 0.000 2.441 1314 R HA 0.456 4.797 4.340 0.000 0.000 0.284 1314 R C 1.888 178.186 176.300 -0.002 0.000 1.070 1314 R CA 0.188 56.287 56.100 -0.001 0.000 1.047 1314 R CB 0.688 30.987 30.300 -0.002 0.000 1.016 1314 R HN 0.966 nan 8.270 nan 0.000 0.477 1315 G N 1.259 110.058 108.800 -0.002 0.000 2.499 1315 G HA2 -0.223 3.737 3.960 0.000 0.000 0.221 1315 G HA3 -0.223 3.737 3.960 0.000 0.000 0.221 1315 G C 0.086 174.984 174.900 -0.003 0.000 1.109 1315 G CA 0.363 45.462 45.100 -0.002 0.000 0.749 1315 G HN 0.551 nan 8.290 nan 0.000 0.568 1316 S N 0.692 116.391 115.700 -0.003 0.000 2.423 1316 S HA 0.642 5.112 4.470 0.000 0.000 0.302 1316 S C 0.063 174.661 174.600 -0.004 0.000 1.143 1316 S CA -0.093 58.105 58.200 -0.004 0.000 1.080 1316 S CB 1.214 64.412 63.200 -0.003 0.000 1.081 1316 S HN 0.642 nan 8.310 nan 0.000 0.522 1317 A N 4.067 126.884 122.820 -0.005 0.000 2.475 1317 A HA 0.950 5.270 4.320 0.000 0.000 0.301 1317 A C -0.053 177.526 177.584 -0.009 0.000 1.059 1317 A CA -0.970 51.063 52.037 -0.007 0.000 0.710 1317 A CB 1.548 20.544 19.000 -0.007 0.000 1.288 1317 A HN 0.771 nan 8.150 nan 0.000 0.408 1318 R N -0.787 119.707 120.500 -0.010 0.000 2.888 1318 R HA 0.586 4.926 4.340 0.000 0.000 0.277 1318 R C 0.719 177.011 176.300 -0.013 0.000 0.981 1318 R CA -0.021 56.072 56.100 -0.012 0.000 0.841 1318 R CB 0.248 30.542 30.300 -0.011 0.000 1.405 1318 R HN 2.339 nan 8.270 nan 0.000 0.472 1319 A N 0.110 122.921 122.820 -0.014 0.000 1.285 1319 A HA -0.312 4.009 4.320 0.000 0.000 0.233 1319 A C 0.673 178.248 177.584 -0.015 0.000 0.551 1319 A CA 1.791 53.819 52.037 -0.014 0.000 1.094 1319 A CB -2.159 16.834 19.000 -0.011 0.000 1.471 1319 A HN 1.334 nan 8.150 nan 0.000 0.723 1320 A N -0.031 122.781 122.820 -0.013 0.000 2.444 1320 A HA 0.539 4.859 4.320 0.000 0.000 0.287 1320 A C 0.835 178.409 177.584 -0.016 0.000 1.195 1320 A CA 1.132 53.161 52.037 -0.013 0.000 0.858 1320 A CB 0.276 19.270 19.000 -0.009 0.000 1.117 1320 A HN 0.678 nan 8.150 nan 0.000 0.521 1321 K N 1.141 121.529 120.400 -0.019 0.000 2.353 1321 K HA 0.202 4.522 4.320 0.000 0.000 0.206 1321 K C -0.533 176.051 176.600 -0.027 0.000 1.191 1321 K CA 0.462 56.737 56.287 -0.020 0.000 0.897 1321 K CB 0.316 32.806 32.500 -0.018 0.000 1.283 1321 K HN 0.840 nan 8.250 nan 0.000 0.477 1322 E N 0.634 120.812 120.200 -0.035 0.000 7.516 1322 E HA -0.083 4.267 4.350 0.000 0.000 0.297 1322 E C -1.884 174.683 176.600 -0.056 0.000 0.766 1322 E CA 0.196 56.568 56.400 -0.047 0.000 1.470 1322 E CB -0.142 29.533 29.700 -0.042 0.000 0.914 1322 E HN 0.383 nan 8.360 nan 0.000 0.262 1323 K N 2.065 122.417 120.400 -0.079 0.000 2.512 1323 K HA 0.674 4.994 4.320 0.000 0.000 0.263 1323 K C -0.952 175.566 176.600 -0.136 0.000 0.966 1323 K CA -1.034 55.198 56.287 -0.092 0.000 0.851 1323 K CB 2.589 35.039 32.500 -0.083 0.000 1.395 1323 K HN 0.281 nan 8.250 nan 0.000 0.440 1324 E N 1.653 121.768 120.200 -0.142 0.000 2.166 1324 E HA 0.402 4.752 4.350 0.000 0.000 0.275 1324 E C -0.848 175.618 176.600 -0.223 0.000 0.941 1324 E CA -0.959 55.327 56.400 -0.189 0.000 0.784 1324 E CB 1.746 31.343 29.700 -0.173 0.000 1.115 1324 E HN 0.534 nan 8.360 nan 0.000 0.399 1325 V N 0.384 120.116 119.914 -0.302 0.000 3.158 1325 V HA 0.673 4.793 4.120 0.000 0.000 0.311 1325 V C -0.468 175.513 176.094 -0.188 0.000 1.181 1325 V CA -0.812 61.325 62.300 -0.273 0.000 1.054 1325 V CB 1.922 33.332 31.823 -0.687 0.000 1.085 1325 V HN 0.613 nan 8.190 nan 0.000 0.446 1326 T N 3.114 117.710 114.554 0.070 0.000 2.771 1326 T HA 0.690 5.040 4.350 0.000 0.000 0.281 1326 T C -0.851 173.986 174.700 0.228 0.000 0.982 1326 T CA -0.040 62.122 62.100 0.103 0.000 0.978 1326 T CB 1.119 70.137 68.868 0.250 0.000 0.930 1326 T HN 0.793 nan 8.240 nan 0.000 0.447 1327 L N 5.079 126.365 121.223 0.105 0.000 2.319 1327 L HA 0.591 4.931 4.340 0.000 0.000 0.281 1327 L C -0.951 175.813 176.870 -0.177 0.000 1.005 1327 L CA -0.576 54.282 54.840 0.030 0.000 0.828 1327 L CB 1.277 43.342 42.059 0.010 0.000 1.227 1327 L HN 0.440 nan 8.230 nan 0.000 0.415 1328 V N 5.382 125.212 119.914 -0.140 0.000 2.318 1328 V HA 0.349 4.469 4.120 0.000 0.000 0.271 1328 V C 0.104 176.133 176.094 -0.108 0.000 1.030 1328 V CA -0.715 61.525 62.300 -0.100 0.000 0.844 1328 V CB 0.389 32.198 31.823 -0.024 0.000 1.015 1328 V HN 0.605 nan 8.190 nan 0.000 0.460 1329 H N 3.586 122.725 119.070 0.116 0.000 2.652 1329 H HA 0.576 5.132 4.556 0.000 0.000 0.349 1329 H C 0.291 175.690 175.328 0.118 0.000 1.099 1329 H CA 0.092 56.245 56.048 0.174 0.000 1.417 1329 H CB 1.651 31.512 29.762 0.165 0.000 1.457 1329 H HN 0.727 nan 8.280 nan 0.000 0.568 1330 A N 4.414 127.435 122.820 0.336 0.000 3.158 1330 A HA 0.411 4.731 4.320 0.000 0.000 0.302 1330 A C -1.400 176.474 177.584 0.483 0.000 1.162 1330 A CA -0.690 51.520 52.037 0.289 0.000 0.824 1330 A CB -0.035 19.076 19.000 0.184 0.000 1.322 1330 A HN 0.689 nan 8.150 nan 0.000 0.510 1331 Y N -2.485 117.919 120.300 0.174 0.000 2.638 1331 Y HA 0.709 5.259 4.550 0.000 0.000 0.335 1331 Y C 0.580 176.383 175.900 -0.163 0.000 1.155 1331 Y CA -0.853 57.333 58.100 0.145 0.000 1.046 1331 Y CB 0.834 39.372 38.460 0.130 0.000 1.303 1331 Y HN 1.635 nan 8.280 nan 0.000 0.460 1332 G N 0.576 109.429 108.800 0.088 0.000 2.164 1332 G HA2 -0.252 3.708 3.960 0.000 0.000 0.212 1332 G HA3 -0.252 3.708 3.960 0.000 0.000 0.212 1332 G C -0.381 174.402 174.900 -0.194 0.000 1.031 1332 G CA 0.098 45.156 45.100 -0.071 0.000 0.730 1332 G HN 0.666 nan 8.290 nan 0.000 0.501 1333 F N 0.778 120.778 119.950 0.084 0.000 2.811 1333 F HA 0.349 4.876 4.527 0.000 0.000 0.301 1333 F C 2.014 177.875 175.800 0.101 0.000 1.151 1333 F CA 1.301 59.358 58.000 0.095 0.000 1.412 1333 F CB 0.173 39.218 39.000 0.075 0.000 1.113 1333 F HN 0.537 nan 8.300 nan 0.000 0.579 1334 S N 0.547 116.366 115.700 0.198 0.000 4.059 1334 S HA -0.359 4.111 4.470 0.000 0.000 0.624 1334 S C 1.645 176.341 174.600 0.159 0.000 2.019 1334 S CA 1.825 60.102 58.200 0.128 0.000 4.197 1334 S CB -1.591 61.645 63.200 0.059 0.000 0.215 1334 S HN 0.466 nan 8.310 nan 0.000 0.609 1335 S N 0.970 116.736 115.700 0.110 0.000 2.631 1335 S HA 0.619 5.090 4.470 0.000 0.000 0.217 1335 S C 0.617 175.390 174.600 0.288 0.000 0.958 1335 S CA 0.722 58.998 58.200 0.127 0.000 0.920 1335 S CB 0.427 63.554 63.200 -0.122 0.000 0.776 1335 S HN 1.627 nan 8.310 nan 0.000 0.517 1336 A N 0.298 123.309 122.820 0.318 0.000 2.592 1336 A HA 0.724 5.044 4.320 0.000 0.000 0.290 1336 A C 1.544 179.297 177.584 0.282 0.000 0.998 1336 A CA 0.049 52.293 52.037 0.345 0.000 0.983 1336 A CB -0.366 18.857 19.000 0.371 0.000 1.240 1336 A HN 0.458 nan 8.150 nan 0.000 0.535 1337 G N -0.484 108.474 108.800 0.263 0.000 2.402 1337 G HA2 -0.155 3.805 3.960 0.000 0.000 0.216 1337 G HA3 -0.155 3.805 3.960 0.000 0.000 0.216 1337 G C 1.240 176.114 174.900 -0.043 0.000 1.162 1337 G CA 1.392 46.528 45.100 0.061 0.000 0.777 1337 G HN 0.495 nan 8.290 nan 0.000 0.539 1338 Y N 1.282 121.652 120.300 0.117 0.000 2.133 1338 Y HA -0.128 4.422 4.550 0.000 0.000 0.287 1338 Y C 3.250 179.228 175.900 0.130 0.000 1.134 1338 Y CA 1.843 60.065 58.100 0.204 0.000 1.133 1338 Y CB -0.302 38.327 38.460 0.282 0.000 0.987 1338 Y HN 0.386 nan 8.280 nan 0.000 0.502 1339 Q N -0.145 119.771 119.800 0.193 0.000 2.364 1339 Q HA -0.188 4.152 4.340 0.000 0.000 0.207 1339 Q C 1.277 177.248 176.000 -0.049 0.000 0.970 1339 Q CA 1.482 57.222 55.803 -0.105 0.000 0.888 1339 Q CB -0.292 28.299 28.738 -0.245 0.000 0.951 1339 Q HN 0.556 nan 8.270 nan 0.000 0.469 1340 Q N 0.654 120.480 119.800 0.043 0.000 2.352 1340 Q HA 0.042 4.382 4.340 0.000 0.000 0.212 1340 Q C 1.990 177.950 176.000 -0.066 0.000 0.888 1340 Q CA 0.586 56.462 55.803 0.121 0.000 0.934 1340 Q CB 0.669 29.592 28.738 0.309 0.000 1.093 1340 Q HN 0.540 nan 8.270 nan 0.000 0.523 1341 S N 0.329 115.964 115.700 -0.107 0.000 2.365 1341 S HA -0.218 4.252 4.470 0.000 0.000 0.225 1341 S C 1.527 176.087 174.600 -0.067 0.000 1.039 1341 S CA 0.774 58.868 58.200 -0.176 0.000 1.033 1341 S CB -0.754 62.438 63.200 -0.013 0.000 0.887 1341 S HN 0.607 nan 8.310 nan 0.000 0.447 1342 W N 2.515 123.770 121.300 -0.074 0.000 2.381 1342 W HA 0.029 4.689 4.660 0.000 0.000 0.301 1342 W C 2.436 178.924 176.519 -0.051 0.000 1.205 1342 W CA 1.164 58.495 57.345 -0.022 0.000 1.285 1342 W CB -0.741 28.746 29.460 0.046 0.000 1.133 1342 W HN 0.489 nan 8.180 nan 0.000 0.521 1343 G N 0.357 109.220 108.800 0.104 0.000 2.408 1343 G HA2 -0.206 3.754 3.960 0.000 0.000 0.217 1343 G HA3 -0.206 3.754 3.960 0.000 0.000 0.217 1343 G C 1.645 176.370 174.900 -0.292 0.000 1.150 1343 G CA 1.353 46.507 45.100 0.090 0.000 0.776 1343 G HN 0.323 nan 8.290 nan 0.000 0.542 1344 A N 1.246 123.620 122.820 -0.743 0.000 1.902 1344 A HA 0.271 4.591 4.320 0.000 0.000 0.217 1344 A C 2.809 180.048 177.584 -0.576 0.000 1.181 1344 A CA 2.200 53.543 52.037 -1.157 0.000 0.623 1344 A CB -0.780 17.490 19.000 -1.216 0.000 0.818 1344 A HN 0.764 nan 8.150 nan 0.000 0.443 1345 A N -0.242 122.284 122.820 -0.490 0.000 1.933 1345 A HA -0.173 4.147 4.320 0.000 0.000 0.218 1345 A C 1.894 179.237 177.584 -0.402 0.000 1.175 1345 A CA 1.666 53.440 52.037 -0.439 0.000 0.628 1345 A CB -0.511 18.172 19.000 -0.528 0.000 0.814 1345 A HN 0.650 nan 8.150 nan 0.000 0.444 1346 E N -0.245 119.712 120.200 -0.404 0.000 2.077 1346 E HA -0.201 4.149 4.350 0.000 0.000 0.193 1346 E C 1.466 177.997 176.600 -0.116 0.000 0.989 1346 E CA 1.275 57.525 56.400 -0.250 0.000 0.800 1346 E CB -0.186 29.425 29.700 -0.148 0.000 0.746 1346 E HN 0.523 nan 8.360 nan 0.000 0.452 1347 D N 0.019 120.377 120.400 -0.070 0.000 2.144 1347 D HA -0.110 4.530 4.640 0.000 0.000 0.200 1347 D C 2.015 178.306 176.300 -0.015 0.000 0.978 1347 D CA 0.579 54.599 54.000 0.033 0.000 0.833 1347 D CB -0.160 40.754 40.800 0.190 0.000 0.961 1347 D HN -0.016 nan 8.370 nan 0.000 0.470 1348 V N 1.209 121.068 119.914 -0.092 0.000 2.287 1348 V HA -0.257 3.863 4.120 0.000 0.000 0.248 1348 V C 2.465 178.500 176.094 -0.098 0.000 1.053 1348 V CA 1.900 64.147 62.300 -0.087 0.000 1.027 1348 V CB -0.775 30.966 31.823 -0.136 0.000 0.646 1348 V HN 0.205 nan 8.190 nan 0.000 0.447 1349 A N -0.572 122.166 122.820 -0.138 0.000 1.930 1349 A HA -0.270 4.050 4.320 0.000 0.000 0.217 1349 A C 2.164 179.714 177.584 -0.057 0.000 1.175 1349 A CA 2.000 53.954 52.037 -0.138 0.000 0.627 1349 A CB -0.499 18.409 19.000 -0.154 0.000 0.815 1349 A HN 0.548 nan 8.150 nan 0.000 0.443 1350 Q N 0.160 119.947 119.800 -0.022 0.000 2.084 1350 Q HA -0.068 4.272 4.340 0.000 0.000 0.202 1350 Q C 1.800 177.830 176.000 0.051 0.000 0.978 1350 Q CA 1.722 57.541 55.803 0.026 0.000 0.844 1350 Q CB -0.566 28.195 28.738 0.039 0.000 0.898 1350 Q HN 0.644 nan 8.270 nan 0.000 0.426 1351 L N -0.807 120.443 121.223 0.046 0.000 2.046 1351 L HA -0.166 4.175 4.340 0.000 0.000 0.208 1351 L C 2.288 179.222 176.870 0.106 0.000 1.077 1351 L CA 0.930 55.817 54.840 0.078 0.000 0.747 1351 L CB -0.504 41.598 42.059 0.071 0.000 0.896 1351 L HN 0.121 nan 8.230 nan 0.000 0.432 1352 V N -0.406 119.539 119.914 0.050 0.000 2.343 1352 V HA -0.283 3.837 4.120 0.000 0.000 0.247 1352 V C 2.121 178.353 176.094 0.230 0.000 1.051 1352 V CA 1.821 64.168 62.300 0.079 0.000 1.036 1352 V CB -0.492 31.209 31.823 -0.203 0.000 0.654 1352 V HN 0.413 nan 8.190 nan 0.000 0.451 1353 D N -0.273 120.221 120.400 0.156 0.000 2.104 1353 D HA -0.190 4.450 4.640 0.000 0.000 0.194 1353 D C 2.219 178.662 176.300 0.239 0.000 0.994 1353 D CA 1.570 55.706 54.000 0.228 0.000 0.830 1353 D CB -0.131 40.755 40.800 0.143 0.000 0.959 1353 D HN 0.466 nan 8.370 nan 0.000 0.452 1354 E N 0.616 120.918 120.200 0.170 0.000 2.072 1354 E HA -0.051 4.299 4.350 0.000 0.000 0.191 1354 E C 1.857 178.540 176.600 0.138 0.000 0.985 1354 E CA 1.364 57.838 56.400 0.123 0.000 0.801 1354 E CB -0.359 29.394 29.700 0.088 0.000 0.750 1354 E HN 0.155 nan 8.360 nan 0.000 0.452 1355 A N -0.524 122.446 122.820 0.251 0.000 1.972 1355 A HA -0.112 4.208 4.320 0.000 0.000 0.219 1355 A C 2.078 179.897 177.584 0.391 0.000 1.169 1355 A CA 1.195 53.453 52.037 0.368 0.000 0.635 1355 A CB -0.864 18.415 19.000 0.466 0.000 0.810 1355 A HN 0.356 nan 8.150 nan 0.000 0.446 1356 F N 0.180 120.317 119.950 0.312 0.000 2.146 1356 F HA -0.175 4.352 4.527 0.000 0.000 0.298 1356 F C 2.769 178.667 175.800 0.164 0.000 1.096 1356 F CA 1.753 59.950 58.000 0.329 0.000 1.275 1356 F CB -0.084 39.087 39.000 0.284 0.000 1.008 1356 F HN 0.208 nan 8.300 nan 0.000 0.480 1357 Q N 0.091 120.029 119.800 0.229 0.000 2.050 1357 Q HA -0.156 4.184 4.340 0.000 0.000 0.202 1357 Q C 2.363 178.321 176.000 -0.071 0.000 0.980 1357 Q CA 1.506 57.354 55.803 0.076 0.000 0.840 1357 Q CB -0.490 28.275 28.738 0.045 0.000 0.898 1357 Q HN 0.432 nan 8.270 nan 0.000 0.424 1358 R N -1.060 119.295 120.500 -0.240 0.000 2.093 1358 R HA -0.032 4.308 4.340 0.000 0.000 0.224 1358 R C 1.444 177.385 176.300 -0.597 0.000 1.101 1358 R CA 1.095 56.858 56.100 -0.562 0.000 0.979 1358 R CB 0.151 29.806 30.300 -1.075 0.000 0.877 1358 R HN 0.351 nan 8.270 nan 0.000 0.441 1359 Y N -2.564 117.625 120.300 -0.185 0.000 2.452 1359 Y HA 0.234 4.784 4.550 0.000 0.000 0.262 1359 Y C 1.121 176.675 175.900 -0.577 0.000 1.089 1359 Y CA -0.225 57.622 58.100 -0.421 0.000 1.262 1359 Y CB 0.725 38.803 38.460 -0.635 0.000 1.236 1359 Y HN 0.034 nan 8.280 nan 0.000 0.512 1360 H N 0.080 119.109 119.070 -0.070 0.000 2.510 1360 H HA 0.460 5.016 4.556 0.000 0.000 0.266 1360 H C 0.955 176.260 175.328 -0.039 0.000 1.146 1360 H CA 0.510 56.440 56.048 -0.197 0.000 0.993 1360 H CB 0.463 29.754 29.762 -0.786 0.000 1.727 1360 H HN 0.426 nan 8.280 nan 0.000 0.590 1361 G N 0.000 108.845 108.800 0.076 0.000 5.446 1361 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 1361 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 1361 G CA 0.000 45.155 45.100 0.092 0.000 0.502 1361 G HN 0.000 nan 8.290 nan 0.000 0.925