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 1ii9_1_B DATA FIRST_RESID 1001 DATA SEQUENCE MQFLQNIPPY LFFTGKGGVG KTSISCATAI RLAEQGKRVL LVSTDPASNV DATA SEQUENCE GQVFSQTIGN TIQAIASVPG LSALEIDPQA AAQQYRARIV DPIKGVLPDD DATA SEQUENCE VVSSINEQLS GACTTEIAAF DEFTGLLTDA SLLTRFDHII FDTAPTGHTI DATA SEQUENCE RLLQLPGAWS SFIDSXXEGA SCLGPMAGLE KQREQYAYAV EALSDPKRTR DATA SEQUENCE LVLVARLQKS TLQEVARTHL ELAAIGLKNQ YLVINGVLPK TEAANDTLAA DATA SEQUENCE AIWEREQEAL ANLPADLAGL PTDTLFLQPV NMVGVSALSR LLSTQXXXXX DATA SEQUENCE XXXXXXQQRP DIPSLSALVD DIARNEHGLI MLMGKGGVGK TTMAAAIAVR DATA SEQUENCE LADMGFDVHL TTSDPAAXXX XXXXXXLNNL QVSRIDPHEE TERYRQHVLE DATA SEQUENCE TKGKELDEAG KRLLEEDLRS PCTEEIAVFQ AFSRVIREAG KRFVVMDTAP DATA SEQUENCE TGHTLLLLDA TXXXXXXXXX XXXXXXXXTT PMMLLQDPER TKVLLVTLPE DATA SEQUENCE TTPVLEAANL QADLERAGIH PWGWIINNSL SIADTRSPLL RMRAQQELPQ DATA SEQUENCE IESVKRQHAS RVALVPVLAS EPTGIDKLKQ LAGHHHHHH 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 1001 M HA 0.000 nan 4.480 nan 0.000 0.227 1001 M C 0.000 176.190 176.300 -0.183 0.000 1.140 1001 M CA 0.000 55.220 55.300 -0.134 0.000 0.988 1001 M CB 0.000 32.407 32.600 -0.321 0.000 1.302 1002 Q N 1.717 121.515 119.800 -0.002 0.000 2.002 1002 Q HA -0.161 4.179 4.340 -0.000 0.000 0.204 1002 Q C 1.534 177.485 176.000 -0.081 0.000 0.988 1002 Q CA 2.452 58.302 55.803 0.077 0.000 0.843 1002 Q CB -0.380 28.534 28.738 0.294 0.000 0.908 1002 Q HN 0.784 nan 8.270 nan 0.000 0.420 1003 F N 0.193 120.080 119.950 -0.105 0.000 2.323 1003 F HA -0.174 4.353 4.527 -0.000 0.000 0.301 1003 F C 1.486 177.102 175.800 -0.307 0.000 1.060 1003 F CA 0.692 58.422 58.000 -0.449 0.000 1.398 1003 F CB -0.214 38.693 39.000 -0.155 0.000 1.075 1003 F HN -0.002 nan 8.300 nan 0.000 0.540 1004 L N 0.330 121.030 121.223 -0.872 0.000 2.509 1004 L HA 0.141 4.481 4.340 -0.000 0.000 0.222 1004 L C 0.729 177.395 176.870 -0.341 0.000 1.123 1004 L CA 0.530 54.962 54.840 -0.681 0.000 0.856 1004 L CB -0.841 40.773 42.059 -0.741 0.000 0.985 1004 L HN 0.218 nan 8.230 nan 0.000 0.456 1005 Q N -0.036 119.608 119.800 -0.261 0.000 2.243 1005 Q HA 0.180 4.520 4.340 -0.000 0.000 0.252 1005 Q C -0.046 175.890 176.000 -0.107 0.000 0.909 1005 Q CA -0.288 55.432 55.803 -0.139 0.000 0.922 1005 Q CB 0.407 29.105 28.738 -0.068 0.000 1.215 1005 Q HN 0.120 nan 8.270 nan 0.000 0.427 1006 N N 0.549 119.216 118.700 -0.054 0.000 2.727 1006 N HA -0.199 4.541 4.740 -0.000 0.000 0.249 1006 N C -0.839 174.667 175.510 -0.008 0.000 1.048 1006 N CA 0.310 53.356 53.050 -0.007 0.000 0.714 1006 N CB -1.261 37.238 38.487 0.020 0.000 0.959 1006 N HN 0.572 nan 8.380 nan 0.000 0.544 1007 I N 1.125 121.668 120.570 -0.046 0.000 2.668 1007 I HA 0.073 4.243 4.170 -0.000 0.000 0.285 1007 I C -1.188 175.004 176.117 0.125 0.000 1.168 1007 I CA -1.188 60.088 61.300 -0.041 0.000 1.424 1007 I CB 0.205 38.083 38.000 -0.203 0.000 1.377 1007 I HN 0.051 nan 8.210 nan 0.000 0.560 1008 P HA 0.140 nan 4.420 nan 0.000 0.277 1008 P C -2.122 175.247 177.300 0.116 0.000 1.276 1008 P CA -1.255 61.901 63.100 0.094 0.000 0.788 1008 P CB -0.181 31.569 31.700 0.083 0.000 1.114 1009 P HA -0.134 nan 4.420 nan 0.000 0.218 1009 P C -0.163 176.968 177.300 -0.282 0.000 1.146 1009 P CA 1.761 64.683 63.100 -0.295 0.000 0.813 1009 P CB -0.114 31.262 31.700 -0.539 0.000 0.778 1010 Y N -0.180 120.199 120.300 0.131 0.000 2.335 1010 Y HA 0.531 5.081 4.550 -0.000 0.000 0.338 1010 Y C 0.289 176.259 175.900 0.118 0.000 0.977 1010 Y CA -1.444 56.741 58.100 0.143 0.000 1.114 1010 Y CB 1.249 39.857 38.460 0.246 0.000 1.182 1010 Y HN -0.244 nan 8.280 nan 0.000 0.463 1011 L N 4.786 126.102 121.223 0.155 0.000 2.356 1011 L HA 0.696 5.036 4.340 -0.000 0.000 0.277 1011 L C -1.948 174.859 176.870 -0.105 0.000 0.996 1011 L CA -0.858 54.003 54.840 0.034 0.000 0.822 1011 L CB 0.651 42.707 42.059 -0.006 0.000 1.256 1011 L HN 0.396 nan 8.230 nan 0.000 0.413 1012 F N 4.821 124.720 119.950 -0.085 0.000 2.507 1012 F HA 0.564 5.091 4.527 -0.000 0.000 0.325 1012 F C -0.672 174.950 175.800 -0.298 0.000 1.116 1012 F CA -0.277 57.670 58.000 -0.088 0.000 0.930 1012 F CB 1.713 40.609 39.000 -0.174 0.000 1.146 1012 F HN 0.228 nan 8.300 nan 0.000 0.447 1013 F N 1.244 121.307 119.950 0.188 0.000 2.444 1013 F HA 0.567 5.094 4.527 -0.000 0.000 0.342 1013 F C 0.316 176.170 175.800 0.091 0.000 1.121 1013 F CA -0.598 57.455 58.000 0.088 0.000 0.997 1013 F CB 2.134 41.152 39.000 0.030 0.000 1.130 1013 F HN 0.282 nan 8.300 nan 0.000 0.454 1014 T N 1.927 116.600 114.554 0.199 0.000 2.900 1014 T HA 0.848 5.198 4.350 -0.000 0.000 0.295 1014 T C -0.579 174.184 174.700 0.105 0.000 1.044 1014 T CA -0.425 61.756 62.100 0.136 0.000 0.995 1014 T CB 1.453 70.367 68.868 0.077 0.000 1.072 1014 T HN 1.028 nan 8.240 nan 0.000 0.473 1015 G N 2.662 111.513 108.800 0.086 0.000 2.340 1015 G HA2 0.376 4.336 3.960 -0.000 0.000 0.300 1015 G HA3 0.376 4.336 3.960 -0.000 0.000 0.300 1015 G C -1.266 173.663 174.900 0.048 0.000 1.488 1015 G CA -0.784 44.351 45.100 0.058 0.000 0.878 1015 G HN 0.928 nan 8.290 nan 0.000 0.618 1016 K N -0.022 120.397 120.400 0.032 0.000 2.494 1016 K HA 0.447 4.767 4.320 -0.000 0.000 0.273 1016 K C 0.827 177.441 176.600 0.023 0.000 0.970 1016 K CA 0.271 56.572 56.287 0.024 0.000 0.963 1016 K CB 0.437 32.944 32.500 0.012 0.000 0.913 1016 K HN 1.146 nan 8.250 nan 0.000 0.502 1017 G N 0.626 109.438 108.800 0.020 0.000 2.150 1017 G HA2 0.286 4.246 3.960 -0.000 0.000 0.250 1017 G HA3 0.286 4.246 3.960 -0.000 0.000 0.250 1017 G C 0.978 175.885 174.900 0.012 0.000 1.179 1017 G CA -0.058 45.053 45.100 0.018 0.000 0.934 1017 G HN 1.256 nan 8.290 nan 0.000 0.453 1018 G N 0.265 109.073 108.800 0.013 0.000 2.157 1018 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.239 1018 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.239 1018 G C 1.210 176.111 174.900 0.002 0.000 0.982 1018 G CA 0.663 45.767 45.100 0.007 0.000 0.650 1018 G HN 1.957 nan 8.290 nan 0.000 0.527 1019 V N -2.494 117.421 119.914 0.003 0.000 2.871 1019 V HA 0.527 4.647 4.120 -0.000 0.000 0.256 1019 V C 1.965 178.047 176.094 -0.020 0.000 1.082 1019 V CA 2.111 64.408 62.300 -0.004 0.000 1.105 1019 V CB -0.019 31.806 31.823 0.004 0.000 0.713 1019 V HN 2.169 nan 8.190 nan 0.000 0.473 1020 G N -0.516 108.266 108.800 -0.030 0.000 2.273 1020 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.162 1020 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.162 1020 G C 0.713 175.544 174.900 -0.116 0.000 1.006 1020 G CA 0.204 45.266 45.100 -0.064 0.000 0.704 1020 G HN 0.406 nan 8.290 nan 0.000 0.487 1021 K N 0.221 120.570 120.400 -0.085 0.000 2.030 1021 K HA -0.191 4.129 4.320 -0.000 0.000 0.222 1021 K C 2.463 178.936 176.600 -0.212 0.000 1.056 1021 K CA 2.331 58.542 56.287 -0.126 0.000 0.957 1021 K CB -0.584 31.938 32.500 0.036 0.000 0.727 1021 K HN 0.308 nan 8.250 nan 0.000 0.452 1022 T N 0.939 115.437 114.554 -0.094 0.000 2.759 1022 T HA -0.130 4.220 4.350 -0.000 0.000 0.269 1022 T C 2.132 176.757 174.700 -0.125 0.000 1.042 1022 T CA 1.590 63.643 62.100 -0.078 0.000 1.140 1022 T CB -0.190 68.667 68.868 -0.018 0.000 0.864 1022 T HN 0.196 nan 8.240 nan 0.000 0.455 1023 S N 1.097 116.715 115.700 -0.136 0.000 2.343 1023 S HA 0.002 4.472 4.470 -0.000 0.000 0.219 1023 S C 2.059 176.547 174.600 -0.185 0.000 1.033 1023 S CA 0.989 59.106 58.200 -0.138 0.000 1.014 1023 S CB -0.426 62.709 63.200 -0.108 0.000 0.915 1023 S HN 0.425 nan 8.310 nan 0.000 0.435 1024 I N 1.528 121.930 120.570 -0.281 0.000 2.163 1024 I HA -0.206 3.964 4.170 -0.000 0.000 0.243 1024 I C 2.456 178.293 176.117 -0.467 0.000 1.085 1024 I CA 1.032 62.105 61.300 -0.378 0.000 1.347 1024 I CB -0.518 37.115 38.000 -0.612 0.000 1.044 1024 I HN 0.206 nan 8.210 nan 0.000 0.408 1025 S N -0.201 115.110 115.700 -0.650 0.000 2.383 1025 S HA -0.212 4.258 4.470 -0.000 0.000 0.229 1025 S C 2.138 176.681 174.600 -0.095 0.000 1.030 1025 S CA 1.428 59.385 58.200 -0.405 0.000 1.002 1025 S CB -0.447 62.615 63.200 -0.231 0.000 0.829 1025 S HN 0.497 nan 8.310 nan 0.000 0.467 1026 C N 1.167 120.426 119.300 -0.067 0.000 2.476 1026 C HA 0.131 4.591 4.460 -0.000 0.000 0.278 1026 C C 3.049 178.073 174.990 0.056 0.000 1.274 1026 C CA 0.394 59.449 59.018 0.061 0.000 1.713 1026 C CB -1.409 26.303 27.740 -0.046 0.000 2.039 1026 C HN 0.675 nan 8.230 nan 0.000 0.484 1027 A N 0.273 123.080 122.820 -0.022 0.000 1.858 1027 A HA -0.196 4.124 4.320 -0.000 0.000 0.216 1027 A C 2.189 179.802 177.584 0.047 0.000 1.190 1027 A CA 2.684 54.724 52.037 0.005 0.000 0.617 1027 A CB -1.360 17.638 19.000 -0.002 0.000 0.827 1027 A HN 0.554 nan 8.150 nan 0.000 0.443 1028 T N 0.592 115.184 114.554 0.064 0.000 2.665 1028 T HA -0.145 4.205 4.350 -0.000 0.000 0.268 1028 T C 2.159 176.895 174.700 0.060 0.000 1.035 1028 T CA 1.934 64.094 62.100 0.100 0.000 1.151 1028 T CB -0.592 68.418 68.868 0.236 0.000 0.862 1028 T HN 0.649 nan 8.240 nan 0.000 0.438 1029 A N 0.695 123.558 122.820 0.073 0.000 2.024 1029 A HA -0.048 4.272 4.320 -0.000 0.000 0.220 1029 A C 2.260 179.887 177.584 0.072 0.000 1.164 1029 A CA 1.259 53.332 52.037 0.060 0.000 0.643 1029 A CB -0.733 18.308 19.000 0.069 0.000 0.806 1029 A HN 0.583 nan 8.150 nan 0.000 0.451 1030 I N -1.823 118.811 120.570 0.105 0.000 2.339 1030 I HA -0.126 4.044 4.170 -0.000 0.000 0.245 1030 I C 2.574 178.724 176.117 0.054 0.000 1.096 1030 I CA 1.212 62.575 61.300 0.106 0.000 1.408 1030 I CB -0.265 37.809 38.000 0.125 0.000 1.092 1030 I HN 0.229 nan 8.210 nan 0.000 0.423 1031 R N 1.642 122.161 120.500 0.033 0.000 2.103 1031 R HA -0.160 4.180 4.340 -0.000 0.000 0.242 1031 R C 2.086 178.384 176.300 -0.004 0.000 1.142 1031 R CA 1.813 57.915 56.100 0.004 0.000 0.960 1031 R CB -0.696 29.591 30.300 -0.022 0.000 0.858 1031 R HN 0.311 nan 8.270 nan 0.000 0.439 1032 L N -0.770 120.449 121.223 -0.008 0.000 2.109 1032 L HA 0.034 4.374 4.340 -0.000 0.000 0.207 1032 L C 2.499 179.394 176.870 0.042 0.000 1.086 1032 L CA 1.144 55.984 54.840 -0.000 0.000 0.760 1032 L CB -0.659 41.382 42.059 -0.030 0.000 0.910 1032 L HN 0.256 nan 8.230 nan 0.000 0.437 1033 A N 0.007 122.855 122.820 0.045 0.000 1.972 1033 A HA -0.191 4.129 4.320 -0.000 0.000 0.219 1033 A C 2.052 179.658 177.584 0.038 0.000 1.169 1033 A CA 1.471 53.537 52.037 0.048 0.000 0.635 1033 A CB -0.378 18.647 19.000 0.042 0.000 0.810 1033 A HN 0.473 nan 8.150 nan 0.000 0.446 1034 E N -0.704 119.516 120.200 0.032 0.000 2.489 1034 E HA -0.009 4.341 4.350 -0.000 0.000 0.193 1034 E C 1.061 177.672 176.600 0.019 0.000 1.057 1034 E CA 0.098 56.513 56.400 0.025 0.000 0.866 1034 E CB 0.093 29.807 29.700 0.023 0.000 0.916 1034 E HN 0.704 nan 8.360 nan 0.000 0.500 1035 Q N -0.799 119.014 119.800 0.022 0.000 2.219 1035 Q HA 0.140 4.480 4.340 -0.000 0.000 0.209 1035 Q C 0.827 176.843 176.000 0.026 0.000 0.854 1035 Q CA 0.276 56.091 55.803 0.019 0.000 0.960 1035 Q CB 1.282 30.030 28.738 0.016 0.000 1.116 1035 Q HN 0.361 nan 8.270 nan 0.000 0.500 1036 G N 1.169 109.986 108.800 0.028 0.000 2.175 1036 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.244 1036 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.244 1036 G C 0.080 175.001 174.900 0.034 0.000 0.982 1036 G CA -0.226 44.889 45.100 0.025 0.000 0.641 1036 G HN 0.036 nan 8.290 nan 0.000 0.527 1037 K N 0.670 121.106 120.400 0.060 0.000 2.237 1037 K HA 0.448 4.768 4.320 -0.000 0.000 0.270 1037 K C 0.700 177.355 176.600 0.093 0.000 1.015 1037 K CA -0.332 56.009 56.287 0.089 0.000 0.949 1037 K CB 0.656 33.270 32.500 0.190 0.000 0.976 1037 K HN 0.409 nan 8.250 nan 0.000 0.472 1038 R N 1.009 121.564 120.500 0.090 0.000 2.207 1038 R HA 0.366 4.706 4.340 -0.000 0.000 0.334 1038 R C -0.467 175.985 176.300 0.253 0.000 1.013 1038 R CA -0.547 55.640 56.100 0.146 0.000 0.858 1038 R CB 0.880 31.221 30.300 0.069 0.000 1.094 1038 R HN 0.195 nan 8.270 nan 0.000 0.457 1039 V N 4.433 124.481 119.914 0.222 0.000 2.735 1039 V HA 0.385 4.505 4.120 -0.000 0.000 0.310 1039 V C -0.448 175.544 176.094 -0.170 0.000 1.061 1039 V CA -0.930 61.421 62.300 0.086 0.000 0.913 1039 V CB 2.336 34.191 31.823 0.054 0.000 1.005 1039 V HN 0.618 nan 8.190 nan 0.000 0.428 1040 L N 4.720 125.653 121.223 -0.483 0.000 2.294 1040 L HA 0.560 4.900 4.340 -0.000 0.000 0.283 1040 L C -1.057 175.541 176.870 -0.454 0.000 1.015 1040 L CA -0.746 53.645 54.840 -0.748 0.000 0.831 1040 L CB 1.431 42.706 42.059 -1.308 0.000 1.217 1040 L HN 0.616 nan 8.230 nan 0.000 0.420 1041 L N 6.267 127.286 121.223 -0.340 0.000 2.260 1041 L HA 0.326 4.666 4.340 -0.000 0.000 0.289 1041 L C -0.586 176.125 176.870 -0.265 0.000 1.057 1041 L CA 0.042 54.731 54.840 -0.252 0.000 0.811 1041 L CB 1.420 43.379 42.059 -0.167 0.000 1.184 1041 L HN 0.300 nan 8.230 nan 0.000 0.429 1042 V N 4.873 124.591 119.914 -0.327 0.000 2.334 1042 V HA 0.290 4.410 4.120 -0.000 0.000 0.267 1042 V C 0.514 176.576 176.094 -0.054 0.000 1.040 1042 V CA -0.323 61.827 62.300 -0.250 0.000 0.866 1042 V CB 0.910 32.459 31.823 -0.457 0.000 1.019 1042 V HN 0.859 nan 8.190 nan 0.000 0.468 1043 S N 3.646 119.340 115.700 -0.010 0.000 2.499 1043 S HA 0.304 4.773 4.470 -0.000 0.000 0.275 1043 S C 1.074 175.725 174.600 0.085 0.000 1.257 1043 S CA 0.209 58.437 58.200 0.047 0.000 1.050 1043 S CB 0.811 64.031 63.200 0.033 0.000 0.937 1043 S HN 1.006 nan 8.310 nan 0.000 0.490 1044 T N 0.555 115.185 114.554 0.126 0.000 3.058 1044 T HA 0.267 4.617 4.350 -0.000 0.000 0.278 1044 T C -0.240 174.514 174.700 0.090 0.000 0.974 1044 T CA -0.444 61.734 62.100 0.129 0.000 0.893 1044 T CB -0.067 68.954 68.868 0.255 0.000 1.138 1044 T HN 0.454 nan 8.240 nan 0.000 0.529 1045 D N 3.808 124.256 120.400 0.081 0.000 2.372 1045 D HA 0.214 4.854 4.640 -0.000 0.000 0.243 1045 D C -1.122 175.202 176.300 0.040 0.000 1.121 1045 D CA -1.962 52.075 54.000 0.061 0.000 0.898 1045 D CB 1.597 42.431 40.800 0.056 0.000 1.202 1045 D HN 0.098 nan 8.370 nan 0.000 0.428 1046 P HA -0.121 nan 4.420 nan 0.000 0.221 1046 P C 0.078 177.392 177.300 0.024 0.000 1.145 1046 P CA 0.972 64.085 63.100 0.020 0.000 0.795 1046 P CB 0.421 32.131 31.700 0.015 0.000 0.775 1047 A N -0.544 122.293 122.820 0.029 0.000 2.795 1047 A HA 0.295 4.615 4.320 -0.000 0.000 0.282 1047 A C 0.442 178.045 177.584 0.032 0.000 0.964 1047 A CA -0.331 51.725 52.037 0.031 0.000 1.045 1047 A CB -0.507 18.513 19.000 0.033 0.000 1.174 1047 A HN 0.049 nan 8.150 nan 0.000 0.493 1048 S N 1.980 117.700 115.700 0.034 0.000 3.746 1048 S HA -0.122 4.348 4.470 -0.000 0.000 0.446 1048 S C 1.211 175.834 174.600 0.038 0.000 1.133 1048 S CA 1.008 59.231 58.200 0.039 0.000 1.060 1048 S CB -0.226 62.996 63.200 0.038 0.000 0.729 1048 S HN 0.760 nan 8.310 nan 0.000 0.510 1049 N N 4.649 123.371 118.700 0.038 0.000 2.205 1049 N HA -0.014 4.726 4.740 -0.000 0.000 0.201 1049 N C 1.231 176.768 175.510 0.045 0.000 1.128 1049 N CA 0.272 53.342 53.050 0.033 0.000 0.867 1049 N CB -0.128 38.371 38.487 0.020 0.000 0.996 1049 N HN 0.452 nan 8.380 nan 0.000 0.503 1050 V N 1.177 121.133 119.914 0.070 0.000 2.392 1050 V HA -0.140 3.980 4.120 -0.000 0.000 0.249 1050 V C 2.712 178.929 176.094 0.205 0.000 1.059 1050 V CA 2.160 64.540 62.300 0.134 0.000 1.051 1050 V CB -1.249 30.664 31.823 0.149 0.000 0.658 1050 V HN 0.484 nan 8.190 nan 0.000 0.455 1051 G N -1.202 107.676 108.800 0.131 0.000 2.462 1051 G HA2 -0.315 3.644 3.960 -0.000 0.000 0.220 1051 G HA3 -0.315 3.644 3.960 -0.000 0.000 0.220 1051 G C 1.509 176.488 174.900 0.131 0.000 1.121 1051 G CA 1.027 46.203 45.100 0.128 0.000 0.758 1051 G HN 0.569 nan 8.290 nan 0.000 0.559 1052 Q N 0.236 120.086 119.800 0.084 0.000 1.984 1052 Q HA -0.075 4.265 4.340 -0.000 0.000 0.196 1052 Q C 2.869 178.868 176.000 -0.001 0.000 0.975 1052 Q CA 1.953 57.781 55.803 0.041 0.000 0.827 1052 Q CB -0.322 28.425 28.738 0.014 0.000 0.894 1052 Q HN 0.422 nan 8.270 nan 0.000 0.438 1053 V N -0.608 119.261 119.914 -0.075 0.000 2.511 1053 V HA -0.231 3.889 4.120 -0.000 0.000 0.257 1053 V C 1.230 177.090 176.094 -0.391 0.000 1.088 1053 V CA 1.561 63.706 62.300 -0.258 0.000 1.098 1053 V CB -0.876 30.710 31.823 -0.396 0.000 0.674 1053 V HN 0.214 nan 8.190 nan 0.000 0.470 1054 F N 0.176 120.120 119.950 -0.009 0.000 2.812 1054 F HA 0.669 5.196 4.527 -0.000 0.000 0.169 1054 F C 1.227 177.025 175.800 -0.004 0.000 1.243 1054 F CA 0.054 58.050 58.000 -0.008 0.000 0.926 1054 F CB -0.145 38.849 39.000 -0.010 0.000 2.170 1054 F HN -0.065 nan 8.300 nan 0.000 0.587 1055 S N 0.031 115.874 115.700 0.239 0.000 2.891 1055 S HA 0.230 4.700 4.470 -0.000 0.000 0.141 1055 S C -1.252 173.400 174.600 0.088 0.000 0.993 1055 S CA -0.469 57.801 58.200 0.117 0.000 1.051 1055 S CB 0.360 63.609 63.200 0.082 0.000 1.657 1055 S HN 0.469 nan 8.310 nan 0.000 0.482 1056 Q N 1.943 121.791 119.800 0.080 0.000 2.613 1056 Q HA 0.147 4.487 4.340 -0.000 0.000 0.231 1056 Q C -0.696 175.327 176.000 0.038 0.000 0.879 1056 Q CA -0.371 55.457 55.803 0.042 0.000 1.083 1056 Q CB 0.883 29.632 28.738 0.018 0.000 1.588 1056 Q HN 0.539 nan 8.270 nan 0.000 0.500 1057 T N 2.153 116.724 114.554 0.029 0.000 2.792 1057 T HA 0.188 4.538 4.350 -0.000 0.000 0.286 1057 T C 0.695 175.405 174.700 0.015 0.000 0.970 1057 T CA -0.281 61.834 62.100 0.026 0.000 1.187 1057 T CB -0.089 68.791 68.868 0.020 0.000 0.915 1057 T HN 0.382 nan 8.240 nan 0.000 0.529 1058 I N 3.164 123.744 120.570 0.017 0.000 2.713 1058 I HA 0.662 4.832 4.170 -0.000 0.000 0.300 1058 I C 1.120 177.239 176.117 0.004 0.000 1.009 1058 I CA -0.248 61.052 61.300 0.000 0.000 1.305 1058 I CB 0.841 38.840 38.000 -0.002 0.000 1.430 1058 I HN 0.964 nan 8.210 nan 0.000 0.546 1059 G N 2.637 111.435 108.800 -0.003 0.000 2.921 1059 G HA2 0.263 4.223 3.960 -0.000 0.000 0.291 1059 G HA3 0.263 4.223 3.960 -0.000 0.000 0.291 1059 G C 0.098 174.999 174.900 0.002 0.000 1.370 1059 G CA -0.502 44.600 45.100 0.003 0.000 0.847 1059 G HN 0.616 nan 8.290 nan 0.000 0.532 1060 N N -1.307 117.397 118.700 0.007 0.000 2.571 1060 N HA 0.059 4.799 4.740 -0.000 0.000 0.189 1060 N C 0.520 176.037 175.510 0.011 0.000 1.154 1060 N CA 0.818 53.874 53.050 0.010 0.000 0.907 1060 N CB 0.469 38.965 38.487 0.015 0.000 0.977 1060 N HN 0.325 nan 8.380 nan 0.000 0.449 1061 T N 0.335 114.894 114.554 0.008 0.000 2.855 1061 T HA 0.396 4.746 4.350 -0.000 0.000 0.281 1061 T C -0.233 174.470 174.700 0.005 0.000 1.007 1061 T CA -0.859 61.248 62.100 0.011 0.000 1.009 1061 T CB 0.657 69.533 68.868 0.013 0.000 0.983 1061 T HN 0.080 nan 8.240 nan 0.000 0.455 1062 I N 4.961 125.541 120.570 0.016 0.000 2.494 1062 I HA 0.147 4.317 4.170 -0.000 0.000 0.289 1062 I C 0.507 176.639 176.117 0.026 0.000 1.106 1062 I CA 0.354 61.664 61.300 0.016 0.000 1.369 1062 I CB 0.240 38.278 38.000 0.062 0.000 1.410 1062 I HN 0.487 nan 8.210 nan 0.000 0.523 1063 Q N 4.922 124.722 119.800 -0.001 0.000 2.372 1063 Q HA 0.632 4.972 4.340 -0.000 0.000 0.273 1063 Q C -0.678 175.313 176.000 -0.016 0.000 1.078 1063 Q CA -0.929 54.875 55.803 0.001 0.000 0.806 1063 Q CB 2.722 31.453 28.738 -0.012 0.000 1.332 1063 Q HN 0.753 nan 8.270 nan 0.000 0.435 1064 A N 2.797 125.619 122.820 0.003 0.000 2.409 1064 A HA 0.349 4.669 4.320 -0.000 0.000 0.262 1064 A C -0.116 177.436 177.584 -0.054 0.000 1.113 1064 A CA -0.327 51.705 52.037 -0.010 0.000 0.790 1064 A CB 0.069 19.080 19.000 0.018 0.000 1.046 1064 A HN 0.727 nan 8.150 nan 0.000 0.496 1065 I N 3.076 123.579 120.570 -0.112 0.000 2.452 1065 I HA 0.073 4.243 4.170 -0.000 0.000 0.287 1065 I C 1.576 177.650 176.117 -0.072 0.000 1.079 1065 I CA -0.118 61.098 61.300 -0.141 0.000 1.387 1065 I CB 1.264 39.065 38.000 -0.331 0.000 1.404 1065 I HN 0.884 nan 8.210 nan 0.000 0.522 1066 A N 5.095 127.896 122.820 -0.032 0.000 1.841 1066 A HA -0.215 4.105 4.320 -0.000 0.000 0.216 1066 A C 2.305 179.896 177.584 0.011 0.000 1.199 1066 A CA 2.164 54.198 52.037 -0.005 0.000 0.621 1066 A CB -0.966 18.037 19.000 0.006 0.000 0.835 1066 A HN 0.822 nan 8.150 nan 0.000 0.445 1067 S N -1.569 114.151 115.700 0.034 0.000 2.481 1067 S HA 0.000 4.470 4.470 -0.000 0.000 0.253 1067 S C 0.506 175.149 174.600 0.071 0.000 0.998 1067 S CA 1.124 59.363 58.200 0.065 0.000 0.972 1067 S CB -0.963 62.307 63.200 0.116 0.000 0.751 1067 S HN 1.340 nan 8.310 nan 0.000 0.515 1068 V N 2.326 122.265 119.914 0.042 0.000 2.655 1068 V HA 0.528 4.648 4.120 -0.000 0.000 0.301 1068 V C -2.874 173.225 176.094 0.008 0.000 1.082 1068 V CA -2.207 60.118 62.300 0.041 0.000 0.899 1068 V CB 2.471 34.341 31.823 0.078 0.000 1.014 1068 V HN 0.109 nan 8.190 nan 0.000 0.429 1069 P HA 0.449 nan 4.420 nan 0.000 0.279 1069 P C 0.659 177.969 177.300 0.017 0.000 1.239 1069 P CA 1.139 64.246 63.100 0.012 0.000 0.789 1069 P CB 1.641 33.349 31.700 0.013 0.000 0.933 1070 G N 0.838 109.650 108.800 0.021 0.000 2.195 1070 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.246 1070 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.246 1070 G C -0.357 174.577 174.900 0.056 0.000 0.984 1070 G CA 0.157 45.282 45.100 0.040 0.000 0.633 1070 G HN 0.635 nan 8.290 nan 0.000 0.525 1071 L N 1.086 122.317 121.223 0.012 0.000 2.334 1071 L HA 0.940 5.280 4.340 -0.000 0.000 0.270 1071 L C -0.027 176.809 176.870 -0.056 0.000 1.018 1071 L CA -0.564 54.251 54.840 -0.042 0.000 0.811 1071 L CB 2.186 44.167 42.059 -0.130 0.000 1.271 1071 L HN 0.157 nan 8.230 nan 0.000 0.443 1072 S N 1.239 116.867 115.700 -0.121 0.000 2.579 1072 S HA 0.949 5.419 4.470 -0.000 0.000 0.272 1072 S C -1.406 173.050 174.600 -0.241 0.000 1.141 1072 S CA -0.209 57.915 58.200 -0.127 0.000 0.843 1072 S CB 1.797 64.995 63.200 -0.004 0.000 1.122 1072 S HN 0.993 nan 8.310 nan 0.000 0.468 1073 A N 1.182 123.881 122.820 -0.202 0.000 2.469 1073 A HA 0.948 5.268 4.320 -0.000 0.000 0.299 1073 A C -1.854 175.646 177.584 -0.140 0.000 1.098 1073 A CA -0.602 51.314 52.037 -0.201 0.000 0.737 1073 A CB 1.517 20.395 19.000 -0.202 0.000 1.312 1073 A HN 0.840 nan 8.150 nan 0.000 0.414 1074 L N 0.170 121.317 121.223 -0.126 0.000 2.526 1074 L HA 0.598 4.938 4.340 -0.000 0.000 0.263 1074 L C -0.787 176.054 176.870 -0.049 0.000 0.943 1074 L CA -0.061 54.731 54.840 -0.080 0.000 0.859 1074 L CB 2.083 44.084 42.059 -0.095 0.000 1.313 1074 L HN 0.823 nan 8.230 nan 0.000 0.406 1075 E N 5.299 125.488 120.200 -0.019 0.000 2.113 1075 E HA 0.438 4.788 4.350 -0.000 0.000 0.273 1075 E C -1.367 175.237 176.600 0.008 0.000 0.924 1075 E CA -0.737 55.663 56.400 0.000 0.000 0.764 1075 E CB 1.054 30.758 29.700 0.007 0.000 1.104 1075 E HN 0.567 nan 8.360 nan 0.000 0.406 1076 I N 4.046 124.625 120.570 0.015 0.000 2.339 1076 I HA 0.201 4.371 4.170 -0.000 0.000 0.290 1076 I C -0.270 175.842 176.117 -0.009 0.000 0.994 1076 I CA -0.743 60.558 61.300 0.001 0.000 1.191 1076 I CB 1.214 39.209 38.000 -0.009 0.000 1.343 1076 I HN 0.565 nan 8.210 nan 0.000 0.458 1077 D N 9.410 129.803 120.400 -0.012 0.000 2.427 1077 D HA 0.334 4.974 4.640 -0.000 0.000 0.226 1077 D C -1.509 174.773 176.300 -0.031 0.000 1.076 1077 D CA -2.082 51.911 54.000 -0.011 0.000 0.849 1077 D CB 2.041 42.843 40.800 0.002 0.000 1.052 1077 D HN 0.213 nan 8.370 nan 0.000 0.515 1078 P HA -0.190 nan 4.420 nan 0.000 0.218 1078 P C 1.301 178.567 177.300 -0.056 0.000 1.149 1078 P CA 0.871 63.925 63.100 -0.075 0.000 0.817 1078 P CB 0.532 32.185 31.700 -0.078 0.000 0.785 1079 Q N 0.407 120.187 119.800 -0.033 0.000 1.993 1079 Q HA -0.150 4.190 4.340 -0.000 0.000 0.202 1079 Q C 2.242 178.236 176.000 -0.011 0.000 0.984 1079 Q CA 2.039 57.828 55.803 -0.023 0.000 0.837 1079 Q CB -0.645 28.088 28.738 -0.009 0.000 0.902 1079 Q HN 0.109 nan 8.270 nan 0.000 0.423 1080 A N 0.947 123.767 122.820 -0.001 0.000 1.908 1080 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 1080 A C 2.307 179.906 177.584 0.026 0.000 1.181 1080 A CA 1.888 53.934 52.037 0.014 0.000 0.627 1080 A CB -0.968 18.041 19.000 0.015 0.000 0.818 1080 A HN 0.585 nan 8.150 nan 0.000 0.445 1081 A N -0.344 122.483 122.820 0.012 0.000 1.933 1081 A HA 0.152 4.472 4.320 -0.000 0.000 0.218 1081 A C 2.434 180.047 177.584 0.049 0.000 1.175 1081 A CA 2.100 54.157 52.037 0.033 0.000 0.628 1081 A CB -0.818 18.171 19.000 -0.018 0.000 0.814 1081 A HN 1.055 nan 8.150 nan 0.000 0.444 1082 A N -1.309 121.496 122.820 -0.025 0.000 1.970 1082 A HA -0.062 4.258 4.320 -0.000 0.000 0.216 1082 A C 2.063 179.680 177.584 0.055 0.000 1.170 1082 A CA 1.316 53.323 52.037 -0.050 0.000 0.645 1082 A CB -0.413 18.522 19.000 -0.109 0.000 0.816 1082 A HN 0.596 nan 8.150 nan 0.000 0.447 1083 Q N -0.843 118.984 119.800 0.044 0.000 2.135 1083 Q HA -0.210 4.130 4.340 -0.000 0.000 0.204 1083 Q C 2.187 178.237 176.000 0.084 0.000 0.981 1083 Q CA 1.532 57.366 55.803 0.052 0.000 0.856 1083 Q CB -0.071 28.688 28.738 0.036 0.000 0.902 1083 Q HN 0.547 nan 8.270 nan 0.000 0.425 1084 Q N -0.941 118.925 119.800 0.110 0.000 2.172 1084 Q HA -0.136 4.204 4.340 -0.000 0.000 0.200 1084 Q C 1.655 177.739 176.000 0.141 0.000 0.964 1084 Q CA 1.158 57.028 55.803 0.111 0.000 0.855 1084 Q CB -0.192 28.610 28.738 0.107 0.000 0.918 1084 Q HN 0.471 nan 8.270 nan 0.000 0.444 1085 Y N 0.936 121.243 120.300 0.013 0.000 2.070 1085 Y HA -0.224 4.326 4.550 -0.000 0.000 0.280 1085 Y C 2.693 178.600 175.900 0.012 0.000 1.148 1085 Y CA 1.800 59.909 58.100 0.015 0.000 1.125 1085 Y CB -0.283 38.181 38.460 0.007 0.000 0.975 1085 Y HN 0.050 nan 8.280 nan 0.000 0.492 1086 R N -0.176 120.439 120.500 0.193 0.000 2.094 1086 R HA -0.239 4.101 4.340 -0.000 0.000 0.239 1086 R C 2.404 178.743 176.300 0.065 0.000 1.137 1086 R CA 1.666 57.828 56.100 0.104 0.000 0.943 1086 R CB -0.639 29.705 30.300 0.074 0.000 0.850 1086 R HN 0.359 nan 8.270 nan 0.000 0.433 1087 A N 0.946 123.801 122.820 0.058 0.000 1.865 1087 A HA -0.239 4.080 4.320 -0.000 0.000 0.217 1087 A C 2.181 179.778 177.584 0.023 0.000 1.191 1087 A CA 1.759 53.819 52.037 0.037 0.000 0.623 1087 A CB -0.758 18.263 19.000 0.035 0.000 0.826 1087 A HN 0.445 nan 8.150 nan 0.000 0.444 1088 R N -0.325 120.182 120.500 0.012 0.000 2.127 1088 R HA -0.108 4.232 4.340 -0.000 0.000 0.238 1088 R C 1.756 178.047 176.300 -0.015 0.000 1.134 1088 R CA 1.969 58.061 56.100 -0.014 0.000 0.975 1088 R CB -0.338 29.931 30.300 -0.051 0.000 0.865 1088 R HN 0.583 nan 8.270 nan 0.000 0.447 1089 I N -0.292 120.276 120.570 -0.003 0.000 2.731 1089 I HA -0.114 4.056 4.170 -0.000 0.000 0.260 1089 I C 1.935 178.064 176.117 0.019 0.000 1.138 1089 I CA 0.255 61.558 61.300 0.005 0.000 1.461 1089 I CB 0.323 38.336 38.000 0.021 0.000 1.128 1089 I HN -0.030 nan 8.210 nan 0.000 0.438 1090 V N 0.298 120.229 119.914 0.027 0.000 2.500 1090 V HA -0.139 3.981 4.120 -0.000 0.000 0.243 1090 V C 1.924 178.031 176.094 0.022 0.000 1.039 1090 V CA 1.362 63.679 62.300 0.029 0.000 1.053 1090 V CB -0.540 31.305 31.823 0.035 0.000 0.695 1090 V HN 0.302 nan 8.190 nan 0.000 0.463 1091 D N 0.390 120.801 120.400 0.019 0.000 2.133 1091 D HA -0.136 4.504 4.640 -0.000 0.000 0.195 1091 D C -0.155 176.152 176.300 0.012 0.000 0.997 1091 D CA 1.653 55.663 54.000 0.016 0.000 0.840 1091 D CB -1.640 39.169 40.800 0.014 0.000 0.947 1091 D HN 0.374 nan 8.370 nan 0.000 0.452 1092 P HA -0.076 nan 4.420 nan 0.000 0.221 1092 P C 1.577 178.883 177.300 0.009 0.000 1.145 1092 P CA 0.891 63.995 63.100 0.006 0.000 0.795 1092 P CB -0.138 31.562 31.700 0.001 0.000 0.775 1093 I N -5.764 114.814 120.570 0.013 0.000 4.018 1093 I HA 0.226 4.396 4.170 -0.000 0.000 0.337 1093 I C 0.133 176.260 176.117 0.017 0.000 1.327 1093 I CA -0.374 60.936 61.300 0.015 0.000 1.100 1093 I CB -0.167 37.844 38.000 0.019 0.000 1.025 1093 I HN -0.312 nan 8.210 nan 0.000 0.396 1094 K N 2.703 123.114 120.400 0.017 0.000 2.416 1094 K HA 0.277 4.597 4.320 -0.000 0.000 0.283 1094 K C 1.151 177.760 176.600 0.015 0.000 1.037 1094 K CA 0.824 57.122 56.287 0.017 0.000 0.995 1094 K CB 0.525 33.035 32.500 0.018 0.000 0.938 1094 K HN 0.480 nan 8.250 nan 0.000 0.475 1095 G N 1.536 110.345 108.800 0.015 0.000 2.155 1095 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.257 1095 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.257 1095 G C 0.570 175.477 174.900 0.013 0.000 0.983 1095 G CA 0.414 45.523 45.100 0.014 0.000 0.676 1095 G HN 0.466 nan 8.290 nan 0.000 0.528 1096 V N -0.538 119.384 119.914 0.014 0.000 3.359 1096 V HA 0.433 4.553 4.120 -0.000 0.000 0.245 1096 V C 1.337 177.439 176.094 0.014 0.000 1.247 1096 V CA 0.966 63.273 62.300 0.013 0.000 1.145 1096 V CB 0.290 32.120 31.823 0.012 0.000 0.906 1096 V HN 0.319 nan 8.190 nan 0.000 0.464 1097 L N 0.239 121.472 121.223 0.016 0.000 2.313 1097 L HA 0.513 4.853 4.340 -0.000 0.000 0.268 1097 L C -2.459 174.421 176.870 0.017 0.000 1.010 1097 L CA -1.953 52.898 54.840 0.018 0.000 0.814 1097 L CB 1.392 43.464 42.059 0.021 0.000 1.304 1097 L HN 0.007 nan 8.230 nan 0.000 0.441 1098 P HA -0.031 nan 4.420 nan 0.000 0.264 1098 P C -0.103 177.208 177.300 0.019 0.000 1.183 1098 P CA 0.035 63.145 63.100 0.017 0.000 0.763 1098 P CB 0.483 32.193 31.700 0.016 0.000 0.807 1099 D N 2.340 122.751 120.400 0.018 0.000 2.126 1099 D HA -0.223 4.417 4.640 -0.000 0.000 0.190 1099 D C 1.395 177.708 176.300 0.021 0.000 1.001 1099 D CA 1.733 55.745 54.000 0.020 0.000 0.841 1099 D CB -0.399 40.413 40.800 0.019 0.000 0.949 1099 D HN 0.585 nan 8.370 nan 0.000 0.446 1100 D N 1.027 121.439 120.400 0.020 0.000 2.149 1100 D HA -0.137 4.503 4.640 -0.000 0.000 0.198 1100 D C 2.172 178.485 176.300 0.023 0.000 0.990 1100 D CA 0.808 54.821 54.000 0.021 0.000 0.839 1100 D CB -0.689 40.122 40.800 0.018 0.000 0.948 1100 D HN 0.174 nan 8.370 nan 0.000 0.460 1101 V N 0.783 120.710 119.914 0.022 0.000 2.427 1101 V HA -0.177 3.943 4.120 -0.000 0.000 0.248 1101 V C 2.902 179.014 176.094 0.029 0.000 1.051 1101 V CA 1.105 63.420 62.300 0.025 0.000 1.048 1101 V CB -0.275 31.562 31.823 0.024 0.000 0.666 1101 V HN 0.117 nan 8.190 nan 0.000 0.456 1102 V N -0.671 119.259 119.914 0.028 0.000 2.548 1102 V HA -0.184 3.936 4.120 -0.000 0.000 0.249 1102 V C 2.614 178.728 176.094 0.034 0.000 1.055 1102 V CA 2.029 64.347 62.300 0.031 0.000 1.065 1102 V CB -0.252 31.588 31.823 0.027 0.000 0.681 1102 V HN 0.581 nan 8.190 nan 0.000 0.462 1103 S N 0.753 116.472 115.700 0.032 0.000 2.356 1103 S HA -0.204 4.266 4.470 -0.000 0.000 0.223 1103 S C 2.366 176.990 174.600 0.039 0.000 1.032 1103 S CA 2.130 60.351 58.200 0.034 0.000 1.005 1103 S CB -0.346 62.872 63.200 0.030 0.000 0.867 1103 S HN 0.815 nan 8.310 nan 0.000 0.449 1104 S N 1.066 116.788 115.700 0.036 0.000 2.382 1104 S HA -0.004 4.466 4.470 -0.000 0.000 0.228 1104 S C 1.862 176.491 174.600 0.048 0.000 1.027 1104 S CA 1.187 59.410 58.200 0.038 0.000 0.991 1104 S CB -0.748 62.470 63.200 0.029 0.000 0.823 1104 S HN 0.592 nan 8.310 nan 0.000 0.469 1105 I N 2.443 123.042 120.570 0.048 0.000 2.252 1105 I HA -0.151 4.019 4.170 -0.000 0.000 0.245 1105 I C 2.920 179.074 176.117 0.061 0.000 1.102 1105 I CA 1.343 62.676 61.300 0.056 0.000 1.385 1105 I CB -0.501 37.531 38.000 0.054 0.000 1.064 1105 I HN 0.491 nan 8.210 nan 0.000 0.414 1106 N N 0.870 119.603 118.700 0.054 0.000 2.244 1106 N HA -0.238 4.502 4.740 -0.000 0.000 0.183 1106 N C 1.825 177.373 175.510 0.062 0.000 1.016 1106 N CA 1.167 54.249 53.050 0.053 0.000 0.866 1106 N CB 0.156 38.670 38.487 0.044 0.000 0.980 1106 N HN 0.238 nan 8.380 nan 0.000 0.430 1107 E N 1.204 121.450 120.200 0.076 0.000 2.150 1107 E HA -0.102 4.247 4.350 -0.000 0.000 0.193 1107 E C 1.740 178.446 176.600 0.177 0.000 0.985 1107 E CA 1.203 57.674 56.400 0.118 0.000 0.814 1107 E CB -0.182 29.580 29.700 0.103 0.000 0.752 1107 E HN 0.406 nan 8.360 nan 0.000 0.466 1108 Q N -0.698 119.182 119.800 0.134 0.000 2.364 1108 Q HA -0.032 4.308 4.340 -0.000 0.000 0.209 1108 Q C 0.643 176.703 176.000 0.100 0.000 0.977 1108 Q CA 0.683 56.574 55.803 0.148 0.000 0.885 1108 Q CB 0.122 28.918 28.738 0.096 0.000 0.941 1108 Q HN 0.306 nan 8.270 nan 0.000 0.464 1109 L N -0.526 120.730 121.223 0.055 0.000 3.141 1109 L HA 0.189 4.529 4.340 -0.000 0.000 0.267 1109 L C 0.469 177.303 176.870 -0.061 0.000 1.281 1109 L CA -0.049 54.798 54.840 0.012 0.000 1.037 1109 L CB 0.893 42.991 42.059 0.064 0.000 1.407 1109 L HN -0.108 nan 8.230 nan 0.000 0.566 1110 S N -0.670 114.934 115.700 -0.159 0.000 2.730 1110 S HA 0.312 4.782 4.470 -0.000 0.000 0.244 1110 S C 0.784 175.079 174.600 -0.508 0.000 1.022 1110 S CA -0.195 57.867 58.200 -0.229 0.000 1.014 1110 S CB 0.999 64.142 63.200 -0.094 0.000 0.963 1110 S HN 0.439 nan 8.310 nan 0.000 0.540 1111 G N 0.417 108.750 108.800 -0.779 0.000 2.521 1111 G HA2 0.612 4.572 3.960 -0.000 0.000 0.323 1111 G HA3 0.612 4.572 3.960 -0.000 0.000 0.323 1111 G C 0.951 175.680 174.900 -0.286 0.000 1.211 1111 G CA -0.137 44.494 45.100 -0.782 0.000 0.979 1111 G HN 0.198 nan 8.290 nan 0.000 0.490 1112 A N -0.914 121.816 122.820 -0.150 0.000 1.948 1112 A HA -0.133 4.187 4.320 -0.000 0.000 0.220 1112 A C 2.489 180.034 177.584 -0.065 0.000 1.177 1112 A CA 2.169 54.160 52.037 -0.077 0.000 0.636 1112 A CB -0.967 18.016 19.000 -0.030 0.000 0.815 1112 A HN 0.609 nan 8.150 nan 0.000 0.449 1113 C N -1.491 117.781 119.300 -0.047 0.000 2.432 1113 C HA -0.098 4.362 4.460 -0.000 0.000 0.277 1113 C C 3.028 177.960 174.990 -0.097 0.000 1.249 1113 C CA 1.587 60.589 59.018 -0.027 0.000 1.725 1113 C CB -1.535 26.222 27.740 0.028 0.000 2.028 1113 C HN 0.649 nan 8.230 nan 0.000 0.477 1114 T N 0.502 114.977 114.554 -0.131 0.000 2.759 1114 T HA -0.164 4.186 4.350 -0.000 0.000 0.269 1114 T C 1.760 176.305 174.700 -0.259 0.000 1.042 1114 T CA 2.179 64.164 62.100 -0.193 0.000 1.140 1114 T CB -0.417 68.356 68.868 -0.158 0.000 0.864 1114 T HN 0.631 nan 8.240 nan 0.000 0.455 1115 T N 1.875 116.319 114.554 -0.183 0.000 2.777 1115 T HA -0.064 4.286 4.350 -0.000 0.000 0.266 1115 T C 1.966 176.586 174.700 -0.132 0.000 1.040 1115 T CA 0.826 62.831 62.100 -0.159 0.000 1.141 1115 T CB -0.146 68.661 68.868 -0.102 0.000 0.868 1115 T HN 0.326 nan 8.240 nan 0.000 0.444 1116 E N 1.054 121.201 120.200 -0.088 0.000 2.051 1116 E HA -0.063 4.287 4.350 -0.000 0.000 0.192 1116 E C 2.357 178.927 176.600 -0.050 0.000 0.991 1116 E CA 0.721 57.103 56.400 -0.031 0.000 0.799 1116 E CB -0.398 29.299 29.700 -0.004 0.000 0.748 1116 E HN 0.349 nan 8.360 nan 0.000 0.449 1117 I N 1.224 121.710 120.570 -0.141 0.000 2.163 1117 I HA -0.256 3.914 4.170 -0.000 0.000 0.243 1117 I C 2.400 178.405 176.117 -0.188 0.000 1.085 1117 I CA 1.345 62.540 61.300 -0.174 0.000 1.347 1117 I CB -1.444 36.406 38.000 -0.250 0.000 1.044 1117 I HN -0.026 nan 8.210 nan 0.000 0.408 1118 A N 0.594 123.161 122.820 -0.422 0.000 1.933 1118 A HA -0.096 4.224 4.320 -0.000 0.000 0.218 1118 A C 2.555 180.049 177.584 -0.149 0.000 1.175 1118 A CA 1.915 53.699 52.037 -0.422 0.000 0.628 1118 A CB -0.686 18.000 19.000 -0.523 0.000 0.814 1118 A HN 0.441 nan 8.150 nan 0.000 0.444 1119 A N -1.226 121.497 122.820 -0.163 0.000 1.873 1119 A HA -0.027 4.293 4.320 -0.000 0.000 0.215 1119 A C 2.029 179.444 177.584 -0.281 0.000 1.186 1119 A CA 1.474 53.335 52.037 -0.292 0.000 0.616 1119 A CB -0.768 18.064 19.000 -0.281 0.000 0.823 1119 A HN 0.606 nan 8.150 nan 0.000 0.442 1120 F N 1.011 120.900 119.950 -0.101 0.000 2.154 1120 F HA -0.225 4.302 4.527 -0.000 0.000 0.301 1120 F C 1.972 177.858 175.800 0.144 0.000 1.087 1120 F CA 2.059 60.124 58.000 0.108 0.000 1.274 1120 F CB -0.053 38.989 39.000 0.071 0.000 1.009 1120 F HN 0.300 nan 8.300 nan 0.000 0.485 1121 D N 0.109 120.693 120.400 0.306 0.000 2.144 1121 D HA -0.163 4.477 4.640 -0.000 0.000 0.199 1121 D C 2.073 178.480 176.300 0.178 0.000 0.984 1121 D CA 1.179 55.407 54.000 0.381 0.000 0.834 1121 D CB -0.065 40.981 40.800 0.410 0.000 0.955 1121 D HN 0.369 nan 8.370 nan 0.000 0.465 1122 E N -0.337 119.876 120.200 0.021 0.000 2.046 1122 E HA -0.128 4.222 4.350 -0.000 0.000 0.190 1122 E C 2.269 178.862 176.600 -0.011 0.000 0.982 1122 E CA 0.441 56.819 56.400 -0.037 0.000 0.800 1122 E CB -0.477 29.129 29.700 -0.157 0.000 0.756 1122 E HN 0.343 nan 8.360 nan 0.000 0.449 1123 F N 1.797 121.706 119.950 -0.069 0.000 2.095 1123 F HA -0.189 4.338 4.527 -0.000 0.000 0.298 1123 F C 2.694 178.348 175.800 -0.243 0.000 1.104 1123 F CA 1.279 59.156 58.000 -0.205 0.000 1.232 1123 F CB -1.386 37.340 39.000 -0.458 0.000 0.987 1123 F HN -0.012 nan 8.300 nan 0.000 0.475 1124 T N -0.279 114.207 114.554 -0.113 0.000 2.699 1124 T HA -0.207 4.143 4.350 -0.000 0.000 0.268 1124 T C 2.333 177.032 174.700 -0.002 0.000 1.036 1124 T CA 1.615 63.667 62.100 -0.081 0.000 1.147 1124 T CB -1.123 67.809 68.868 0.106 0.000 0.862 1124 T HN 0.445 nan 8.240 nan 0.000 0.446 1125 G N 1.322 110.152 108.800 0.050 0.000 2.459 1125 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.217 1125 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.217 1125 G C 1.417 176.369 174.900 0.086 0.000 1.183 1125 G CA 0.608 45.746 45.100 0.063 0.000 0.776 1125 G HN 0.329 nan 8.290 nan 0.000 0.552 1126 L N 0.343 121.644 121.223 0.130 0.000 2.017 1126 L HA 0.103 4.443 4.340 -0.000 0.000 0.208 1126 L C 2.919 179.871 176.870 0.137 0.000 1.073 1126 L CA 1.031 55.985 54.840 0.189 0.000 0.745 1126 L CB -0.948 41.321 42.059 0.351 0.000 0.894 1126 L HN 0.178 nan 8.230 nan 0.000 0.432 1127 L N -0.926 120.296 121.223 -0.002 0.000 2.131 1127 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 1127 L C 2.063 178.839 176.870 -0.157 0.000 1.092 1127 L CA 1.702 56.396 54.840 -0.244 0.000 0.759 1127 L CB -0.659 41.182 42.059 -0.363 0.000 0.903 1127 L HN 0.469 nan 8.230 nan 0.000 0.435 1128 T N -5.232 109.303 114.554 -0.032 0.000 3.086 1128 T HA -0.016 4.334 4.350 -0.000 0.000 0.250 1128 T C 0.643 175.462 174.700 0.199 0.000 1.074 1128 T CA -0.345 61.806 62.100 0.085 0.000 0.988 1128 T CB -0.153 68.834 68.868 0.200 0.000 0.988 1128 T HN 0.134 nan 8.240 nan 0.000 0.530 1129 D N 1.374 121.868 120.400 0.156 0.000 2.441 1129 D HA 0.431 5.071 4.640 -0.000 0.000 0.221 1129 D C 1.268 177.673 176.300 0.176 0.000 1.156 1129 D CA -0.112 53.980 54.000 0.154 0.000 0.896 1129 D CB 1.322 42.202 40.800 0.133 0.000 1.028 1129 D HN 0.261 nan 8.370 nan 0.000 0.509 1130 A N 3.159 126.082 122.820 0.171 0.000 1.972 1130 A HA -0.187 4.133 4.320 -0.000 0.000 0.219 1130 A C 2.236 179.883 177.584 0.105 0.000 1.169 1130 A CA 1.681 53.809 52.037 0.152 0.000 0.635 1130 A CB -0.444 18.641 19.000 0.142 0.000 0.810 1130 A HN 0.655 nan 8.150 nan 0.000 0.446 1131 S N -0.168 115.585 115.700 0.087 0.000 2.402 1131 S HA -0.196 4.274 4.470 -0.000 0.000 0.233 1131 S C 1.765 176.401 174.600 0.060 0.000 1.030 1131 S CA 1.508 59.742 58.200 0.055 0.000 1.003 1131 S CB -0.648 62.581 63.200 0.048 0.000 0.813 1131 S HN 0.348 nan 8.310 nan 0.000 0.477 1132 L N 1.398 122.692 121.223 0.118 0.000 2.079 1132 L HA 0.115 4.455 4.340 -0.000 0.000 0.210 1132 L C 2.204 179.173 176.870 0.164 0.000 1.081 1132 L CA 1.492 56.444 54.840 0.187 0.000 0.752 1132 L CB -0.709 41.496 42.059 0.243 0.000 0.896 1132 L HN 0.385 nan 8.230 nan 0.000 0.433 1133 L N -1.757 119.524 121.223 0.098 0.000 2.465 1133 L HA -0.124 4.216 4.340 -0.000 0.000 0.224 1133 L C 2.011 178.863 176.870 -0.030 0.000 1.145 1133 L CA 0.790 55.642 54.840 0.020 0.000 0.834 1133 L CB -0.677 41.376 42.059 -0.010 0.000 0.944 1133 L HN 0.207 nan 8.230 nan 0.000 0.451 1134 T N -1.333 113.199 114.554 -0.036 0.000 3.014 1134 T HA 0.008 4.358 4.350 -0.000 0.000 0.263 1134 T C 2.027 176.634 174.700 -0.155 0.000 1.078 1134 T CA 0.638 62.693 62.100 -0.076 0.000 1.135 1134 T CB 0.116 68.951 68.868 -0.055 0.000 0.895 1134 T HN 0.128 nan 8.240 nan 0.000 0.480 1135 R N -0.428 119.925 120.500 -0.245 0.000 2.175 1135 R HA 0.294 4.634 4.340 -0.000 0.000 0.202 1135 R C -0.302 175.542 176.300 -0.761 0.000 1.018 1135 R CA 0.411 56.165 56.100 -0.576 0.000 1.029 1135 R CB 0.210 29.986 30.300 -0.874 0.000 0.959 1135 R HN 0.344 nan 8.270 nan 0.000 0.480 1136 F N -0.367 119.541 119.950 -0.071 0.000 2.577 1136 F HA 0.308 4.835 4.527 -0.000 0.000 0.318 1136 F C 1.072 176.774 175.800 -0.165 0.000 1.065 1136 F CA -0.995 56.949 58.000 -0.094 0.000 0.929 1136 F CB 1.621 40.576 39.000 -0.075 0.000 1.237 1136 F HN -0.262 nan 8.300 nan 0.000 0.468 1137 D N -0.451 119.934 120.400 -0.025 0.000 2.213 1137 D HA 0.011 4.651 4.640 -0.000 0.000 0.205 1137 D C -0.115 175.788 176.300 -0.661 0.000 0.961 1137 D CA 1.276 55.065 54.000 -0.351 0.000 0.853 1137 D CB 0.122 40.700 40.800 -0.371 0.000 0.967 1137 D HN 0.548 nan 8.370 nan 0.000 0.496 1138 H N -1.205 117.870 119.070 0.009 0.000 2.894 1138 H HA 0.475 5.031 4.556 -0.000 0.000 0.367 1138 H C -0.986 174.277 175.328 -0.108 0.000 1.144 1138 H CA -0.649 55.366 56.048 -0.056 0.000 1.180 1138 H CB 1.901 31.638 29.762 -0.041 0.000 1.758 1138 H HN -0.225 nan 8.280 nan 0.000 0.541 1139 I N 3.507 124.068 120.570 -0.016 0.000 2.382 1139 I HA 0.269 4.439 4.170 -0.000 0.000 0.286 1139 I C -0.616 175.324 176.117 -0.295 0.000 1.002 1139 I CA -0.064 61.109 61.300 -0.212 0.000 1.135 1139 I CB 0.953 38.869 38.000 -0.140 0.000 1.288 1139 I HN 0.417 nan 8.210 nan 0.000 0.448 1140 I N 6.052 126.406 120.570 -0.360 0.000 2.359 1140 I HA 0.406 4.576 4.170 -0.000 0.000 0.294 1140 I C -0.833 175.028 176.117 -0.427 0.000 0.987 1140 I CA -0.506 60.644 61.300 -0.249 0.000 1.225 1140 I CB 0.908 38.897 38.000 -0.019 0.000 1.366 1140 I HN 0.284 nan 8.210 nan 0.000 0.466 1141 F N 3.599 123.418 119.950 -0.219 0.000 2.458 1141 F HA 0.225 4.752 4.527 -0.000 0.000 0.336 1141 F C 0.856 176.714 175.800 0.096 0.000 1.114 1141 F CA -0.819 57.098 58.000 -0.138 0.000 0.987 1141 F CB 1.192 39.912 39.000 -0.468 0.000 1.130 1141 F HN 0.510 nan 8.300 nan 0.000 0.458 1142 D N -0.067 120.514 120.400 0.302 0.000 2.370 1142 D HA 0.097 4.737 4.640 -0.000 0.000 0.230 1142 D C 0.051 176.522 176.300 0.284 0.000 1.143 1142 D CA 0.088 54.245 54.000 0.260 0.000 0.834 1142 D CB -0.402 40.473 40.800 0.124 0.000 0.944 1142 D HN 0.522 nan 8.370 nan 0.000 0.504 1143 T N -4.366 110.404 114.554 0.361 0.000 2.749 1143 T HA 0.733 5.083 4.350 -0.000 0.000 0.310 1143 T C -1.343 173.535 174.700 0.298 0.000 1.496 1143 T CA -0.768 61.525 62.100 0.321 0.000 1.006 1143 T CB 1.539 70.608 68.868 0.334 0.000 1.457 1143 T HN 0.246 nan 8.240 nan 0.000 0.497 1144 A N 1.228 124.157 122.820 0.181 0.000 2.539 1144 A HA 0.958 5.278 4.320 -0.000 0.000 0.296 1144 A C -2.931 174.656 177.584 0.004 0.000 1.073 1144 A CA -1.680 50.330 52.037 -0.045 0.000 0.700 1144 A CB 0.880 19.832 19.000 -0.080 0.000 1.296 1144 A HN 0.809 nan 8.150 nan 0.000 0.405 1145 P HA 0.323 nan 4.420 nan 0.000 0.272 1145 P C 0.200 177.523 177.300 0.039 0.000 1.230 1145 P CA 0.173 63.345 63.100 0.121 0.000 0.788 1145 P CB 0.545 32.399 31.700 0.258 0.000 0.949 1146 T N -2.966 111.626 114.554 0.063 0.000 2.862 1146 T HA 0.395 4.745 4.350 -0.000 0.000 0.276 1146 T C 1.616 176.320 174.700 0.007 0.000 0.974 1146 T CA -0.028 62.094 62.100 0.037 0.000 0.966 1146 T CB 0.534 69.446 68.868 0.073 0.000 1.072 1146 T HN 0.416 nan 8.240 nan 0.000 0.538 1147 G N -0.678 108.130 108.800 0.014 0.000 2.403 1147 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.216 1147 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.216 1147 G C 1.388 176.291 174.900 0.006 0.000 1.154 1147 G CA 0.943 46.039 45.100 -0.006 0.000 0.784 1147 G HN 0.978 nan 8.290 nan 0.000 0.538 1148 H N 1.114 120.147 119.070 -0.062 0.000 2.290 1148 H HA -0.082 4.474 4.556 -0.000 0.000 0.298 1148 H C 2.604 177.864 175.328 -0.114 0.000 1.087 1148 H CA 2.310 58.314 56.048 -0.073 0.000 1.291 1148 H CB -0.544 29.185 29.762 -0.054 0.000 1.369 1148 H HN 0.223 nan 8.280 nan 0.000 0.492 1149 T N 0.652 115.029 114.554 -0.294 0.000 2.746 1149 T HA -0.078 4.272 4.350 -0.000 0.000 0.267 1149 T C 2.320 176.731 174.700 -0.482 0.000 1.039 1149 T CA 1.507 63.349 62.100 -0.429 0.000 1.142 1149 T CB -0.283 68.432 68.868 -0.254 0.000 0.866 1149 T HN 0.287 nan 8.240 nan 0.000 0.444 1150 I N 0.492 120.862 120.570 -0.333 0.000 2.286 1150 I HA -0.164 4.006 4.170 -0.000 0.000 0.248 1150 I C 2.824 178.802 176.117 -0.232 0.000 1.115 1150 I CA 1.239 62.353 61.300 -0.310 0.000 1.392 1150 I CB -0.259 37.678 38.000 -0.105 0.000 1.065 1150 I HN 0.127 nan 8.210 nan 0.000 0.418 1151 R N 0.458 120.852 120.500 -0.177 0.000 2.073 1151 R HA -0.131 4.209 4.340 -0.000 0.000 0.234 1151 R C 2.375 178.575 176.300 -0.166 0.000 1.134 1151 R CA 1.296 57.322 56.100 -0.123 0.000 0.952 1151 R CB -0.466 29.795 30.300 -0.064 0.000 0.850 1151 R HN 0.300 nan 8.270 nan 0.000 0.433 1152 L N 0.576 121.640 121.223 -0.265 0.000 2.021 1152 L HA -0.250 4.090 4.340 -0.000 0.000 0.215 1152 L C 2.143 178.843 176.870 -0.283 0.000 1.074 1152 L CA 1.395 56.058 54.840 -0.294 0.000 0.760 1152 L CB -0.324 41.490 42.059 -0.409 0.000 0.889 1152 L HN 0.189 nan 8.230 nan 0.000 0.433 1153 L N -0.687 120.349 121.223 -0.312 0.000 2.552 1153 L HA -0.141 4.199 4.340 -0.000 0.000 0.227 1153 L C 2.541 179.456 176.870 0.076 0.000 1.146 1153 L CA 0.756 55.484 54.840 -0.185 0.000 0.858 1153 L CB -0.431 41.429 42.059 -0.331 0.000 0.969 1153 L HN 0.410 nan 8.230 nan 0.000 0.451 1154 Q N -0.063 119.742 119.800 0.009 0.000 2.250 1154 Q HA -0.003 4.337 4.340 -0.000 0.000 0.200 1154 Q C 0.863 176.930 176.000 0.112 0.000 0.941 1154 Q CA 0.229 56.083 55.803 0.085 0.000 0.872 1154 Q CB -0.113 28.639 28.738 0.024 0.000 0.965 1154 Q HN 0.359 nan 8.270 nan 0.000 0.480 1155 L N 3.022 124.262 121.223 0.028 0.000 2.540 1155 L HA 0.020 4.360 4.340 -0.000 0.000 0.276 1155 L C -1.674 175.243 176.870 0.077 0.000 1.212 1155 L CA -1.080 53.769 54.840 0.014 0.000 0.893 1155 L CB 0.436 42.456 42.059 -0.065 0.000 1.138 1155 L HN 0.078 nan 8.230 nan 0.000 0.491 1156 P HA -0.085 nan 4.420 nan 0.000 0.219 1156 P C 1.391 178.764 177.300 0.122 0.000 1.150 1156 P CA 0.859 64.074 63.100 0.193 0.000 0.814 1156 P CB 0.254 32.027 31.700 0.122 0.000 0.787 1157 G N 0.120 108.930 108.800 0.017 0.000 2.509 1157 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.218 1157 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.218 1157 G C 1.472 176.304 174.900 -0.114 0.000 1.124 1157 G CA 0.629 45.715 45.100 -0.023 0.000 0.776 1157 G HN 0.307 nan 8.290 nan 0.000 0.547 1158 A N -0.301 122.348 122.820 -0.285 0.000 2.209 1158 A HA 0.143 4.463 4.320 -0.000 0.000 0.212 1158 A C 1.382 178.505 177.584 -0.770 0.000 1.158 1158 A CA 0.375 52.053 52.037 -0.598 0.000 0.742 1158 A CB -0.425 18.050 19.000 -0.875 0.000 0.790 1158 A HN 0.527 nan 8.150 nan 0.000 0.472 1159 W N -0.525 120.787 121.300 0.019 0.000 2.771 1159 W HA 0.307 4.967 4.660 -0.000 0.000 0.412 1159 W C 1.292 177.828 176.519 0.028 0.000 0.965 1159 W CA 0.307 57.668 57.345 0.027 0.000 2.045 1159 W CB 0.343 29.823 29.460 0.033 0.000 1.176 1159 W HN 0.405 nan 8.180 nan 0.000 0.634 1160 S N -3.046 112.736 115.700 0.137 0.000 4.696 1160 S HA 0.126 4.596 4.470 -0.000 0.000 0.185 1160 S C 0.604 175.259 174.600 0.092 0.000 1.139 1160 S CA -0.179 58.089 58.200 0.114 0.000 1.227 1160 S CB -0.257 63.007 63.200 0.107 0.000 1.682 1160 S HN -0.169 nan 8.310 nan 0.000 0.551 1161 S N 2.589 118.328 115.700 0.067 0.000 2.560 1161 S HA 0.548 5.018 4.470 -0.000 0.000 0.284 1161 S C -1.021 173.663 174.600 0.139 0.000 1.327 1161 S CA -0.031 58.211 58.200 0.070 0.000 1.055 1161 S CB 0.025 63.234 63.200 0.015 0.000 0.868 1161 S HN 0.455 nan 8.310 nan 0.000 0.506 1162 F N 3.998 123.928 119.950 -0.033 0.000 2.460 1162 F HA 0.513 5.040 4.527 -0.000 0.000 0.341 1162 F C -0.355 175.423 175.800 -0.036 0.000 1.130 1162 F CA -1.679 56.300 58.000 -0.035 0.000 0.962 1162 F CB 0.372 39.361 39.000 -0.020 0.000 1.171 1162 F HN 0.516 nan 8.300 nan 0.000 0.436 1163 I N 4.703 124.994 120.570 -0.465 0.000 2.754 1163 I HA 0.043 4.213 4.170 -0.000 0.000 0.285 1163 I C -0.404 175.207 176.117 -0.844 0.000 1.166 1163 I CA 0.192 61.186 61.300 -0.510 0.000 1.417 1163 I CB 0.536 38.376 38.000 -0.267 0.000 1.382 1163 I HN 0.644 nan 8.210 nan 0.000 0.588 1164 D N 5.910 126.016 120.400 -0.490 0.000 2.443 1164 D HA 0.210 4.850 4.640 -0.000 0.000 0.221 1164 D C -0.046 176.112 176.300 -0.236 0.000 1.097 1164 D CA -0.354 53.408 54.000 -0.397 0.000 0.865 1164 D CB 0.728 41.378 40.800 -0.251 0.000 1.034 1164 D HN 0.519 nan 8.370 nan 0.000 0.511 1169 G N 0.005 108.792 108.800 -0.022 0.000 2.621 1169 G HA2 0.500 4.460 3.960 -0.000 0.000 0.355 1169 G HA3 0.500 4.460 3.960 -0.000 0.000 0.355 1169 G C -1.208 173.687 174.900 -0.008 0.000 1.509 1169 G CA -0.222 44.858 45.100 -0.033 0.000 1.000 1169 G HN 0.689 nan 8.290 nan 0.000 0.646 1170 A N 1.658 124.484 122.820 0.010 0.000 3.047 1170 A HA 0.823 5.143 4.320 -0.000 0.000 0.337 1170 A C 0.671 178.279 177.584 0.040 0.000 1.143 1170 A CA 0.505 52.563 52.037 0.035 0.000 0.905 1170 A CB -0.095 18.958 19.000 0.090 0.000 1.088 1170 A HN 2.161 nan 8.150 nan 0.000 0.488 1171 S N -1.185 114.526 115.700 0.018 0.000 2.677 1171 S HA 0.540 5.010 4.470 -0.000 0.000 0.304 1171 S C 0.022 174.649 174.600 0.045 0.000 1.108 1171 S CA -0.589 57.624 58.200 0.022 0.000 0.944 1171 S CB 1.510 64.700 63.200 -0.016 0.000 1.127 1171 S HN 0.517 nan 8.310 nan 0.000 0.511 1172 C N 1.414 120.745 119.300 0.052 0.000 2.638 1172 C HA 0.449 4.909 4.460 -0.000 0.000 0.282 1172 C C 1.446 176.452 174.990 0.027 0.000 1.473 1172 C CA -0.457 58.601 59.018 0.066 0.000 1.781 1172 C CB -2.160 25.635 27.740 0.092 0.000 2.780 1172 C HN 0.814 nan 8.230 nan 0.000 0.531 1173 L N 0.721 121.947 121.223 0.006 0.000 2.509 1173 L HA 0.126 4.466 4.340 -0.000 0.000 0.222 1173 L C 2.551 179.425 176.870 0.008 0.000 1.123 1173 L CA 0.820 55.647 54.840 -0.020 0.000 0.856 1173 L CB -0.383 41.651 42.059 -0.042 0.000 0.985 1173 L HN 0.620 nan 8.230 nan 0.000 0.456 1174 G N 1.728 110.551 108.800 0.037 0.000 2.529 1174 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.219 1174 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.219 1174 G C -0.624 174.329 174.900 0.089 0.000 1.177 1174 G CA 0.828 45.972 45.100 0.073 0.000 0.773 1174 G HN 0.303 nan 8.290 nan 0.000 0.573 1175 P HA -0.175 nan 4.420 nan 0.000 0.218 1175 P C 2.112 179.535 177.300 0.206 0.000 1.147 1175 P CA 1.372 64.559 63.100 0.145 0.000 0.827 1175 P CB -0.070 31.621 31.700 -0.015 0.000 0.778 1176 M N -1.135 118.496 119.600 0.052 0.000 2.149 1176 M HA -0.141 4.339 4.480 -0.000 0.000 0.261 1176 M C 2.125 178.428 176.300 0.005 0.000 1.064 1176 M CA 2.021 57.302 55.300 -0.032 0.000 1.102 1176 M CB -2.074 30.447 32.600 -0.133 0.000 1.369 1176 M HN -0.065 nan 8.290 nan 0.000 0.408 1177 A N 0.370 123.210 122.820 0.034 0.000 1.940 1177 A HA -0.020 4.300 4.320 -0.000 0.000 0.219 1177 A C 2.397 179.948 177.584 -0.055 0.000 1.176 1177 A CA 1.899 53.935 52.037 -0.003 0.000 0.631 1177 A CB -1.406 17.596 19.000 0.005 0.000 0.814 1177 A HN 0.555 nan 8.150 nan 0.000 0.446 1178 G N -0.740 107.993 108.800 -0.111 0.000 2.679 1178 G HA2 0.215 4.175 3.960 -0.000 0.000 0.212 1178 G HA3 0.215 4.175 3.960 -0.000 0.000 0.212 1178 G C 0.549 175.121 174.900 -0.547 0.000 1.137 1178 G CA -0.226 44.530 45.100 -0.572 0.000 0.787 1178 G HN 0.435 nan 8.290 nan 0.000 0.534 1179 L N 0.671 121.866 121.223 -0.047 0.000 2.584 1179 L HA 0.109 4.449 4.340 -0.000 0.000 0.272 1179 L C 1.357 178.338 176.870 0.186 0.000 1.195 1179 L CA 0.111 55.062 54.840 0.187 0.000 0.920 1179 L CB 0.857 43.051 42.059 0.225 0.000 1.173 1179 L HN 0.183 nan 8.230 nan 0.000 0.489 1180 E N 2.200 122.531 120.200 0.219 0.000 2.489 1180 E HA 0.090 4.440 4.350 -0.000 0.000 0.204 1180 E C 0.043 176.733 176.600 0.150 0.000 1.006 1180 E CA -0.020 56.459 56.400 0.130 0.000 0.936 1180 E CB 0.602 30.322 29.700 0.034 0.000 1.002 1180 E HN 0.518 nan 8.360 nan 0.000 0.488 1181 K N 0.489 121.025 120.400 0.226 0.000 2.132 1181 K HA 0.239 4.559 4.320 -0.000 0.000 0.241 1181 K C -0.108 176.470 176.600 -0.037 0.000 1.000 1181 K CA -0.813 55.460 56.287 -0.023 0.000 0.911 1181 K CB 0.889 33.193 32.500 -0.328 0.000 1.093 1181 K HN -0.125 nan 8.250 nan 0.000 0.460 1182 Q N 1.455 121.160 119.800 -0.159 0.000 2.394 1182 Q HA 0.017 4.357 4.340 -0.000 0.000 0.248 1182 Q C 1.005 176.818 176.000 -0.312 0.000 0.992 1182 Q CA 0.431 56.124 55.803 -0.183 0.000 0.888 1182 Q CB 0.952 29.593 28.738 -0.161 0.000 1.257 1182 Q HN 0.563 nan 8.270 nan 0.000 0.462 1183 R N 1.735 121.947 120.500 -0.480 0.000 2.119 1183 R HA -0.257 4.082 4.340 -0.000 0.000 0.246 1183 R C 1.119 177.225 176.300 -0.324 0.000 1.146 1183 R CA 2.115 57.776 56.100 -0.733 0.000 0.962 1183 R CB 0.204 29.873 30.300 -1.052 0.000 0.863 1183 R HN 0.555 nan 8.270 nan 0.000 0.442 1184 E N 0.659 120.709 120.200 -0.251 0.000 2.086 1184 E HA -0.256 4.093 4.350 -0.000 0.000 0.200 1184 E C 2.093 178.644 176.600 -0.082 0.000 1.012 1184 E CA 1.892 58.207 56.400 -0.143 0.000 0.812 1184 E CB -0.231 29.383 29.700 -0.142 0.000 0.743 1184 E HN 0.502 nan 8.360 nan 0.000 0.453 1185 Q N -0.879 118.821 119.800 -0.166 0.000 2.061 1185 Q HA -0.194 4.146 4.340 -0.000 0.000 0.204 1185 Q C 2.091 178.058 176.000 -0.055 0.000 0.984 1185 Q CA 1.590 57.310 55.803 -0.137 0.000 0.846 1185 Q CB -0.331 28.219 28.738 -0.314 0.000 0.902 1185 Q HN 0.421 nan 8.270 nan 0.000 0.421 1186 Y N 0.200 120.586 120.300 0.143 0.000 2.224 1186 Y HA -0.190 4.360 4.550 -0.000 0.000 0.289 1186 Y C 2.425 178.458 175.900 0.221 0.000 1.146 1186 Y CA 0.922 59.178 58.100 0.261 0.000 1.182 1186 Y CB -0.858 37.801 38.460 0.333 0.000 0.983 1186 Y HN 0.139 nan 8.280 nan 0.000 0.524 1187 A N -0.652 122.325 122.820 0.261 0.000 1.902 1187 A HA -0.257 4.063 4.320 -0.000 0.000 0.217 1187 A C 2.096 179.809 177.584 0.214 0.000 1.181 1187 A CA 1.756 53.910 52.037 0.195 0.000 0.623 1187 A CB -1.295 17.766 19.000 0.102 0.000 0.818 1187 A HN 0.529 nan 8.150 nan 0.000 0.443 1188 Y N 0.626 120.953 120.300 0.045 0.000 2.200 1188 Y HA -0.014 4.536 4.550 -0.000 0.000 0.290 1188 Y C 2.656 178.578 175.900 0.036 0.000 1.137 1188 Y CA 0.790 58.907 58.100 0.028 0.000 1.163 1188 Y CB -0.781 37.678 38.460 -0.001 0.000 0.988 1188 Y HN 0.305 nan 8.280 nan 0.000 0.518 1189 A N -0.699 122.139 122.820 0.031 0.000 1.902 1189 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 1189 A C 2.355 179.904 177.584 -0.059 0.000 1.181 1189 A CA 2.081 54.054 52.037 -0.108 0.000 0.623 1189 A CB -1.270 17.709 19.000 -0.035 0.000 0.818 1189 A HN 0.292 nan 8.150 nan 0.000 0.443 1190 V N -0.237 119.741 119.914 0.106 0.000 2.515 1190 V HA -0.216 3.904 4.120 -0.000 0.000 0.250 1190 V C 2.448 178.558 176.094 0.027 0.000 1.058 1190 V CA 2.232 64.591 62.300 0.098 0.000 1.064 1190 V CB -0.652 31.264 31.823 0.154 0.000 0.675 1190 V HN 0.733 nan 8.190 nan 0.000 0.461 1191 E N 0.676 120.898 120.200 0.037 0.000 2.077 1191 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 1191 E C 2.213 178.800 176.600 -0.022 0.000 0.989 1191 E CA 1.449 57.872 56.400 0.038 0.000 0.800 1191 E CB -0.355 29.416 29.700 0.118 0.000 0.746 1191 E HN 0.541 nan 8.360 nan 0.000 0.452 1192 A N 0.313 123.059 122.820 -0.122 0.000 1.933 1192 A HA -0.120 4.200 4.320 -0.000 0.000 0.218 1192 A C 2.165 179.705 177.584 -0.074 0.000 1.175 1192 A CA 1.121 53.082 52.037 -0.126 0.000 0.628 1192 A CB -0.585 18.242 19.000 -0.288 0.000 0.814 1192 A HN 0.323 nan 8.150 nan 0.000 0.444 1193 L N -0.501 120.643 121.223 -0.133 0.000 2.217 1193 L HA -0.078 4.262 4.340 -0.000 0.000 0.211 1193 L C 2.287 179.107 176.870 -0.084 0.000 1.107 1193 L CA 1.225 55.966 54.840 -0.165 0.000 0.783 1193 L CB -0.112 41.791 42.059 -0.258 0.000 0.919 1193 L HN 0.294 nan 8.230 nan 0.000 0.442 1194 S N -1.817 113.859 115.700 -0.040 0.000 2.524 1194 S HA -0.023 4.447 4.470 -0.000 0.000 0.216 1194 S C 0.562 175.170 174.600 0.014 0.000 0.987 1194 S CA -0.127 58.064 58.200 -0.014 0.000 0.909 1194 S CB -0.126 63.072 63.200 -0.003 0.000 0.781 1194 S HN 0.286 nan 8.310 nan 0.000 0.521 1195 D N 3.122 123.538 120.400 0.027 0.000 2.374 1195 D HA 0.119 4.759 4.640 -0.000 0.000 0.240 1195 D C -1.367 174.974 176.300 0.068 0.000 1.229 1195 D CA -2.181 51.850 54.000 0.051 0.000 0.895 1195 D CB 1.211 42.048 40.800 0.062 0.000 1.046 1195 D HN 0.075 nan 8.370 nan 0.000 0.498 1196 P HA -0.179 nan 4.420 nan 0.000 0.218 1196 P C 0.834 178.186 177.300 0.086 0.000 1.146 1196 P CA 0.984 64.130 63.100 0.077 0.000 0.813 1196 P CB 0.383 32.123 31.700 0.066 0.000 0.778 1197 K N -0.724 119.722 120.400 0.076 0.000 2.432 1197 K HA 0.017 4.337 4.320 -0.000 0.000 0.196 1197 K C 2.289 178.934 176.600 0.076 0.000 1.038 1197 K CA 0.531 56.859 56.287 0.069 0.000 0.986 1197 K CB 0.072 32.605 32.500 0.055 0.000 0.782 1197 K HN 0.097 nan 8.250 nan 0.000 0.485 1198 R N -0.775 119.794 120.500 0.114 0.000 2.257 1198 R HA 0.101 4.441 4.340 -0.000 0.000 0.195 1198 R C -0.055 176.418 176.300 0.288 0.000 0.921 1198 R CA 0.561 56.764 56.100 0.171 0.000 1.069 1198 R CB 1.137 31.587 30.300 0.251 0.000 1.115 1198 R HN -0.087 nan 8.270 nan 0.000 0.571 1199 T N 0.534 115.236 114.554 0.248 0.000 2.886 1199 T HA 0.385 4.735 4.350 -0.000 0.000 0.292 1199 T C -1.207 173.605 174.700 0.186 0.000 1.012 1199 T CA -0.638 61.632 62.100 0.283 0.000 0.982 1199 T CB 2.625 71.630 68.868 0.229 0.000 1.018 1199 T HN 0.040 nan 8.240 nan 0.000 0.451 1200 R N 2.764 123.379 120.500 0.193 0.000 2.534 1200 R HA 0.592 4.932 4.340 -0.000 0.000 0.301 1200 R C -1.442 174.918 176.300 0.101 0.000 0.961 1200 R CA -0.877 55.301 56.100 0.129 0.000 0.871 1200 R CB 0.848 31.181 30.300 0.056 0.000 1.170 1200 R HN 0.367 nan 8.270 nan 0.000 0.446 1201 L N 6.271 127.543 121.223 0.081 0.000 2.280 1201 L HA 0.418 4.758 4.340 -0.000 0.000 0.287 1201 L C -1.245 175.623 176.870 -0.004 0.000 1.023 1201 L CA -0.508 54.345 54.840 0.023 0.000 0.819 1201 L CB 1.645 43.709 42.059 0.008 0.000 1.212 1201 L HN 0.490 nan 8.230 nan 0.000 0.420 1202 V N 6.802 126.612 119.914 -0.174 0.000 2.350 1202 V HA 0.333 4.453 4.120 -0.000 0.000 0.276 1202 V C 0.400 176.460 176.094 -0.057 0.000 1.028 1202 V CA -0.622 61.566 62.300 -0.187 0.000 0.860 1202 V CB 1.588 33.044 31.823 -0.610 0.000 0.990 1202 V HN 0.533 nan 8.190 nan 0.000 0.453 1203 L N 6.197 127.427 121.223 0.012 0.000 2.283 1203 L HA 0.399 4.739 4.340 -0.000 0.000 0.287 1203 L C -0.166 176.722 176.870 0.030 0.000 1.073 1203 L CA -0.290 54.570 54.840 0.033 0.000 0.822 1203 L CB 1.063 43.139 42.059 0.028 0.000 1.186 1203 L HN 0.380 nan 8.230 nan 0.000 0.436 1204 V N 2.926 122.874 119.914 0.057 0.000 2.567 1204 V HA 0.836 4.956 4.120 -0.000 0.000 0.289 1204 V C 0.443 176.544 176.094 0.012 0.000 1.049 1204 V CA -0.280 62.039 62.300 0.032 0.000 0.969 1204 V CB 1.261 33.113 31.823 0.048 0.000 0.995 1204 V HN 0.948 nan 8.190 nan 0.000 0.471 1205 A N 4.577 127.393 122.820 -0.008 0.000 2.524 1205 A HA 0.945 5.265 4.320 -0.000 0.000 0.303 1205 A C -1.189 176.384 177.584 -0.020 0.000 1.195 1205 A CA -0.876 51.155 52.037 -0.010 0.000 0.651 1205 A CB 1.722 20.714 19.000 -0.013 0.000 1.323 1205 A HN 0.574 nan 8.150 nan 0.000 0.479 1206 R N -0.528 119.961 120.500 -0.019 0.000 2.888 1206 R HA 0.497 4.837 4.340 -0.000 0.000 0.266 1206 R C -1.043 175.240 176.300 -0.028 0.000 1.020 1206 R CA -0.770 55.317 56.100 -0.021 0.000 0.963 1206 R CB 1.100 31.393 30.300 -0.011 0.000 1.197 1206 R HN 0.601 nan 8.270 nan 0.000 0.481 1207 L N 2.601 123.803 121.223 -0.035 0.000 2.437 1207 L HA 0.115 4.455 4.340 -0.000 0.000 0.243 1207 L C 0.177 177.022 176.870 -0.040 0.000 1.346 1207 L CA 0.290 55.100 54.840 -0.049 0.000 1.233 1207 L CB -0.168 41.849 42.059 -0.071 0.000 1.436 1207 L HN 0.123 nan 8.230 nan 0.000 0.416 1208 Q N 0.960 120.743 119.800 -0.029 0.000 2.353 1208 Q HA 0.142 4.482 4.340 -0.000 0.000 0.268 1208 Q C 0.424 176.412 176.000 -0.020 0.000 1.045 1208 Q CA -0.320 55.471 55.803 -0.021 0.000 0.811 1208 Q CB 2.606 31.337 28.738 -0.011 0.000 1.305 1208 Q HN 0.279 nan 8.270 nan 0.000 0.447 1209 K N 1.124 121.514 120.400 -0.017 0.000 2.097 1209 K HA -0.153 4.167 4.320 -0.000 0.000 0.206 1209 K C 1.517 178.112 176.600 -0.007 0.000 1.049 1209 K CA 1.959 58.238 56.287 -0.014 0.000 0.933 1209 K CB 0.242 32.736 32.500 -0.011 0.000 0.717 1209 K HN 0.635 nan 8.250 nan 0.000 0.442 1210 S N -0.503 115.195 115.700 -0.004 0.000 2.357 1210 S HA -0.086 4.384 4.470 -0.000 0.000 0.221 1210 S C 1.956 176.556 174.600 0.000 0.000 1.031 1210 S CA 1.495 59.696 58.200 0.001 0.000 0.982 1210 S CB -0.655 62.546 63.200 0.002 0.000 0.853 1210 S HN 0.243 nan 8.310 nan 0.000 0.458 1211 T N 2.453 117.006 114.554 -0.002 0.000 2.897 1211 T HA 0.080 4.430 4.350 -0.000 0.000 0.271 1211 T C 1.478 176.177 174.700 -0.003 0.000 1.084 1211 T CA 0.999 63.098 62.100 -0.002 0.000 1.123 1211 T CB -0.386 68.479 68.868 -0.004 0.000 0.865 1211 T HN 0.140 nan 8.240 nan 0.000 0.496 1212 L N 0.681 121.900 121.223 -0.007 0.000 2.162 1212 L HA 0.132 4.471 4.340 -0.000 0.000 0.205 1212 L C 2.470 179.338 176.870 -0.003 0.000 1.086 1212 L CA 1.467 56.300 54.840 -0.011 0.000 0.778 1212 L CB -0.708 41.339 42.059 -0.020 0.000 0.928 1212 L HN 0.208 nan 8.230 nan 0.000 0.446 1213 Q N -1.058 118.743 119.800 0.001 0.000 2.167 1213 Q HA -0.229 4.111 4.340 -0.000 0.000 0.202 1213 Q C 1.988 177.997 176.000 0.015 0.000 0.970 1213 Q CA 1.372 57.180 55.803 0.008 0.000 0.855 1213 Q CB 0.034 28.778 28.738 0.010 0.000 0.911 1213 Q HN 0.337 nan 8.270 nan 0.000 0.438 1214 E N 0.254 120.462 120.200 0.013 0.000 2.015 1214 E HA -0.138 4.212 4.350 -0.000 0.000 0.191 1214 E C 1.867 178.481 176.600 0.023 0.000 0.991 1214 E CA 1.185 57.594 56.400 0.016 0.000 0.802 1214 E CB -0.288 29.419 29.700 0.012 0.000 0.759 1214 E HN 0.105 nan 8.360 nan 0.000 0.447 1215 V N 1.307 121.233 119.914 0.020 0.000 2.324 1215 V HA -0.340 3.780 4.120 -0.000 0.000 0.250 1215 V C 2.431 178.554 176.094 0.048 0.000 1.060 1215 V CA 2.077 64.393 62.300 0.027 0.000 1.042 1215 V CB -1.178 30.651 31.823 0.010 0.000 0.650 1215 V HN 0.467 nan 8.190 nan 0.000 0.450 1216 A N -0.337 122.505 122.820 0.037 0.000 1.908 1216 A HA -0.294 4.026 4.320 -0.000 0.000 0.218 1216 A C 2.333 179.972 177.584 0.091 0.000 1.181 1216 A CA 2.298 54.373 52.037 0.063 0.000 0.627 1216 A CB -0.532 18.488 19.000 0.033 0.000 0.818 1216 A HN 0.482 nan 8.150 nan 0.000 0.445 1217 R N -0.930 119.602 120.500 0.053 0.000 2.073 1217 R HA -0.074 4.266 4.340 -0.000 0.000 0.234 1217 R C 2.363 178.685 176.300 0.037 0.000 1.134 1217 R CA 2.063 58.186 56.100 0.038 0.000 0.952 1217 R CB -0.862 29.453 30.300 0.025 0.000 0.850 1217 R HN 0.535 nan 8.270 nan 0.000 0.433 1218 T N -0.399 114.183 114.554 0.046 0.000 2.699 1218 T HA -0.238 4.112 4.350 -0.000 0.000 0.268 1218 T C 1.436 176.163 174.700 0.045 0.000 1.036 1218 T CA 1.955 64.078 62.100 0.039 0.000 1.147 1218 T CB -0.500 68.395 68.868 0.045 0.000 0.862 1218 T HN 0.438 nan 8.240 nan 0.000 0.446 1219 H N 1.368 120.431 119.070 -0.011 0.000 2.267 1219 H HA -0.006 4.550 4.556 -0.000 0.000 0.297 1219 H C 2.068 177.385 175.328 -0.017 0.000 1.080 1219 H CA 1.601 57.639 56.048 -0.016 0.000 1.278 1219 H CB -0.704 29.047 29.762 -0.017 0.000 1.365 1219 H HN 0.259 nan 8.280 nan 0.000 0.489 1220 L N 0.096 121.202 121.223 -0.195 0.000 2.042 1220 L HA -0.174 4.166 4.340 -0.000 0.000 0.210 1220 L C 2.576 179.346 176.870 -0.167 0.000 1.076 1220 L CA 1.770 56.474 54.840 -0.227 0.000 0.749 1220 L CB -0.530 41.484 42.059 -0.075 0.000 0.893 1220 L HN 0.488 nan 8.230 nan 0.000 0.432 1221 E N 0.275 120.416 120.200 -0.097 0.000 2.031 1221 E HA -0.215 4.135 4.350 -0.000 0.000 0.193 1221 E C 2.342 178.892 176.600 -0.083 0.000 0.994 1221 E CA 1.142 57.502 56.400 -0.067 0.000 0.800 1221 E CB -0.169 29.512 29.700 -0.032 0.000 0.752 1221 E HN 0.466 nan 8.360 nan 0.000 0.447 1222 L N 0.469 121.636 121.223 -0.093 0.000 2.191 1222 L HA -0.150 4.190 4.340 -0.000 0.000 0.212 1222 L C 2.515 179.317 176.870 -0.114 0.000 1.103 1222 L CA 0.782 55.567 54.840 -0.091 0.000 0.769 1222 L CB -0.409 41.606 42.059 -0.074 0.000 0.908 1222 L HN 0.135 nan 8.230 nan 0.000 0.438 1223 A N 0.083 122.793 122.820 -0.183 0.000 1.929 1223 A HA -0.040 4.280 4.320 -0.000 0.000 0.216 1223 A C 2.534 180.049 177.584 -0.114 0.000 1.176 1223 A CA 1.294 53.223 52.037 -0.180 0.000 0.628 1223 A CB -0.547 18.260 19.000 -0.321 0.000 0.816 1223 A HN 0.351 nan 8.150 nan 0.000 0.444 1224 A N -0.275 122.482 122.820 -0.106 0.000 2.070 1224 A HA -0.033 4.287 4.320 -0.000 0.000 0.220 1224 A C 1.913 179.468 177.584 -0.049 0.000 1.159 1224 A CA 1.460 53.456 52.037 -0.068 0.000 0.656 1224 A CB -0.556 18.408 19.000 -0.059 0.000 0.800 1224 A HN 0.513 nan 8.150 nan 0.000 0.453 1225 I N -2.204 118.335 120.570 -0.052 0.000 3.226 1225 I HA 0.159 4.329 4.170 -0.000 0.000 0.277 1225 I C 1.729 177.828 176.117 -0.030 0.000 1.243 1225 I CA 0.888 62.166 61.300 -0.037 0.000 1.459 1225 I CB 0.272 38.247 38.000 -0.042 0.000 1.093 1225 I HN 0.463 nan 8.210 nan 0.000 0.453 1226 G N 0.682 109.459 108.800 -0.038 0.000 2.367 1226 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.181 1226 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.181 1226 G C 0.032 174.916 174.900 -0.027 0.000 1.000 1226 G CA -0.705 44.380 45.100 -0.025 0.000 0.693 1226 G HN 0.069 nan 8.290 nan 0.000 0.480 1227 L N 1.715 122.912 121.223 -0.044 0.000 2.485 1227 L HA 0.423 4.763 4.340 -0.000 0.000 0.279 1227 L C 1.177 178.035 176.870 -0.020 0.000 1.124 1227 L CA 0.708 55.526 54.840 -0.036 0.000 0.888 1227 L CB 0.829 42.850 42.059 -0.063 0.000 1.217 1227 L HN 0.178 nan 8.230 nan 0.000 0.464 1228 K N 1.976 122.380 120.400 0.008 0.000 2.506 1228 K HA 0.174 4.494 4.320 -0.000 0.000 0.204 1228 K C 0.274 176.904 176.600 0.050 0.000 1.045 1228 K CA -0.028 56.272 56.287 0.022 0.000 1.074 1228 K CB 0.329 32.836 32.500 0.012 0.000 0.842 1228 K HN 0.476 nan 8.250 nan 0.000 0.514 1229 N N 2.007 120.751 118.700 0.073 0.000 2.990 1229 N HA 0.081 4.821 4.740 -0.000 0.000 0.288 1229 N C -1.071 174.545 175.510 0.176 0.000 1.624 1229 N CA -0.136 52.991 53.050 0.129 0.000 0.961 1229 N CB 0.444 39.016 38.487 0.141 0.000 1.259 1229 N HN 0.091 nan 8.380 nan 0.000 0.489 1230 Q N 1.648 121.525 119.800 0.128 0.000 2.312 1230 Q HA 0.309 4.649 4.340 -0.000 0.000 0.263 1230 Q C -1.452 174.579 176.000 0.051 0.000 0.995 1230 Q CA -0.581 55.308 55.803 0.144 0.000 0.853 1230 Q CB 1.955 30.782 28.738 0.148 0.000 1.300 1230 Q HN 0.383 nan 8.270 nan 0.000 0.448 1231 Y N 0.753 121.054 120.300 0.002 0.000 2.549 1231 Y HA 0.546 5.096 4.550 -0.000 0.000 0.339 1231 Y C -0.728 175.154 175.900 -0.030 0.000 1.053 1231 Y CA -1.110 56.992 58.100 0.005 0.000 1.105 1231 Y CB 1.475 39.968 38.460 0.055 0.000 1.258 1231 Y HN 0.468 nan 8.280 nan 0.000 0.478 1232 L N 2.307 123.591 121.223 0.101 0.000 2.343 1232 L HA 0.705 5.045 4.340 -0.000 0.000 0.278 1232 L C -1.608 175.282 176.870 0.034 0.000 0.996 1232 L CA -0.653 54.202 54.840 0.025 0.000 0.831 1232 L CB 1.266 43.299 42.059 -0.042 0.000 1.232 1232 L HN 0.372 nan 8.230 nan 0.000 0.413 1233 V N 7.099 127.004 119.914 -0.015 0.000 2.326 1233 V HA 0.393 4.513 4.120 -0.000 0.000 0.281 1233 V C 0.257 176.320 176.094 -0.051 0.000 1.015 1233 V CA -0.391 61.877 62.300 -0.052 0.000 0.823 1233 V CB 1.210 32.909 31.823 -0.207 0.000 1.009 1233 V HN 0.599 nan 8.190 nan 0.000 0.436 1234 I N 5.201 125.743 120.570 -0.046 0.000 2.329 1234 I HA 0.201 4.371 4.170 -0.000 0.000 0.295 1234 I C 0.820 176.895 176.117 -0.071 0.000 1.109 1234 I CA 0.435 61.701 61.300 -0.056 0.000 1.297 1234 I CB 0.036 37.999 38.000 -0.062 0.000 1.433 1234 I HN 0.660 nan 8.210 nan 0.000 0.509 1235 N N 4.108 122.774 118.700 -0.058 0.000 2.434 1235 N HA 0.219 4.959 4.740 -0.000 0.000 0.266 1235 N C 1.058 176.550 175.510 -0.030 0.000 1.223 1235 N CA 0.295 53.313 53.050 -0.053 0.000 0.972 1235 N CB 1.064 39.521 38.487 -0.049 0.000 1.207 1235 N HN 0.782 nan 8.380 nan 0.000 0.525 1236 G N 0.400 109.196 108.800 -0.007 0.000 2.296 1236 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.282 1236 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.282 1236 G C 0.071 175.009 174.900 0.065 0.000 1.014 1236 G CA 0.416 45.538 45.100 0.035 0.000 0.812 1236 G HN 0.415 nan 8.290 nan 0.000 0.508 1237 V N 0.383 120.330 119.914 0.056 0.000 2.740 1237 V HA 0.321 4.441 4.120 -0.000 0.000 0.303 1237 V C 1.041 177.309 176.094 0.290 0.000 1.054 1237 V CA -0.402 61.961 62.300 0.104 0.000 1.106 1237 V CB 1.503 33.335 31.823 0.015 0.000 0.957 1237 V HN 0.417 nan 8.190 nan 0.000 0.486 1238 L N 8.668 130.031 121.223 0.233 0.000 2.361 1238 L HA 0.403 4.743 4.340 -0.000 0.000 0.278 1238 L C -1.927 175.188 176.870 0.409 0.000 1.113 1238 L CA -1.347 53.663 54.840 0.283 0.000 0.849 1238 L CB 0.736 42.940 42.059 0.241 0.000 1.155 1238 L HN 0.472 nan 8.230 nan 0.000 0.452 1239 P HA 0.034 nan 4.420 nan 0.000 0.276 1239 P C 0.014 177.379 177.300 0.109 0.000 1.243 1239 P CA -0.250 62.847 63.100 -0.006 0.000 0.768 1239 P CB 0.937 32.375 31.700 -0.437 0.000 0.856 1240 K N 2.589 123.087 120.400 0.163 0.000 2.077 1240 K HA -0.225 4.095 4.320 -0.000 0.000 0.213 1240 K C 1.872 178.269 176.600 -0.338 0.000 1.051 1240 K CA 2.636 58.697 56.287 -0.376 0.000 0.929 1240 K CB -0.725 31.567 32.500 -0.348 0.000 0.715 1240 K HN 0.596 nan 8.250 nan 0.000 0.451 1241 T N -1.379 113.054 114.554 -0.201 0.000 2.882 1241 T HA -0.205 4.145 4.350 -0.000 0.000 0.268 1241 T C 1.558 176.173 174.700 -0.141 0.000 1.104 1241 T CA 1.881 63.881 62.100 -0.166 0.000 1.118 1241 T CB -0.212 68.574 68.868 -0.135 0.000 0.831 1241 T HN 0.269 nan 8.240 nan 0.000 0.529 1242 E N 0.719 120.846 120.200 -0.122 0.000 2.447 1242 E HA 0.447 4.797 4.350 -0.000 0.000 0.195 1242 E C 1.621 178.179 176.600 -0.070 0.000 1.028 1242 E CA 0.511 56.871 56.400 -0.066 0.000 0.876 1242 E CB -0.234 29.463 29.700 -0.005 0.000 0.885 1242 E HN 0.663 nan 8.360 nan 0.000 0.500 1243 A N -0.238 122.486 122.820 -0.159 0.000 2.734 1243 A HA 0.582 4.902 4.320 -0.000 0.000 0.279 1243 A C 1.228 178.714 177.584 -0.164 0.000 1.386 1243 A CA 0.596 52.544 52.037 -0.149 0.000 0.987 1243 A CB -0.454 18.386 19.000 -0.267 0.000 1.041 1243 A HN 0.252 nan 8.150 nan 0.000 0.569 1244 A N 0.482 123.228 122.820 -0.124 0.000 2.070 1244 A HA 0.159 4.479 4.320 -0.000 0.000 0.221 1244 A C 1.101 178.647 177.584 -0.064 0.000 1.603 1244 A CA 0.327 52.301 52.037 -0.104 0.000 0.639 1244 A CB -0.145 18.798 19.000 -0.096 0.000 1.235 1244 A HN 0.468 nan 8.150 nan 0.000 0.518 1245 N N 1.346 120.017 118.700 -0.047 0.000 2.678 1245 N HA 0.377 5.117 4.740 -0.000 0.000 0.231 1245 N C -1.916 173.583 175.510 -0.018 0.000 1.038 1245 N CA 0.154 53.186 53.050 -0.030 0.000 0.932 1245 N CB 0.452 38.923 38.487 -0.026 0.000 1.176 1245 N HN 0.449 nan 8.380 nan 0.000 0.511 1246 D N 0.597 120.990 120.400 -0.011 0.000 2.724 1246 D HA -0.003 4.637 4.640 -0.000 0.000 0.227 1246 D C 0.287 176.594 176.300 0.011 0.000 1.004 1246 D CA -0.312 53.689 54.000 0.002 0.000 0.838 1246 D CB 0.421 41.225 40.800 0.006 0.000 3.251 1246 D HN 0.175 nan 8.370 nan 0.000 0.464 1247 T N 1.983 116.547 114.554 0.017 0.000 2.857 1247 T HA -0.055 4.295 4.350 -0.000 0.000 0.266 1247 T C 1.671 176.393 174.700 0.037 0.000 1.048 1247 T CA 0.775 62.890 62.100 0.025 0.000 1.139 1247 T CB -0.071 68.810 68.868 0.022 0.000 0.874 1247 T HN 0.333 nan 8.240 nan 0.000 0.455 1248 L N 1.723 122.968 121.223 0.037 0.000 2.007 1248 L HA 0.226 4.566 4.340 -0.000 0.000 0.205 1248 L C 2.727 179.636 176.870 0.064 0.000 1.073 1248 L CA 1.881 56.748 54.840 0.046 0.000 0.744 1248 L CB -1.247 40.835 42.059 0.038 0.000 0.898 1248 L HN 0.210 nan 8.230 nan 0.000 0.435 1249 A N -0.371 122.485 122.820 0.061 0.000 1.927 1249 A HA -0.281 4.039 4.320 -0.000 0.000 0.220 1249 A C 2.400 180.063 177.584 0.133 0.000 1.185 1249 A CA 2.471 54.559 52.037 0.085 0.000 0.639 1249 A CB -1.297 17.735 19.000 0.054 0.000 0.820 1249 A HN 0.624 nan 8.150 nan 0.000 0.451 1250 A N -0.673 122.209 122.820 0.103 0.000 1.929 1250 A HA 0.287 4.607 4.320 -0.000 0.000 0.216 1250 A C 2.494 180.183 177.584 0.174 0.000 1.176 1250 A CA 1.762 53.881 52.037 0.137 0.000 0.628 1250 A CB -0.947 18.092 19.000 0.064 0.000 0.816 1250 A HN 1.118 nan 8.150 nan 0.000 0.444 1251 A N 0.047 122.936 122.820 0.116 0.000 1.933 1251 A HA -0.083 4.237 4.320 -0.000 0.000 0.218 1251 A C 2.096 179.743 177.584 0.105 0.000 1.175 1251 A CA 1.566 53.662 52.037 0.097 0.000 0.628 1251 A CB -0.562 18.478 19.000 0.066 0.000 0.814 1251 A HN 0.506 nan 8.150 nan 0.000 0.444 1252 I N -2.933 117.707 120.570 0.116 0.000 2.233 1252 I HA -0.217 3.953 4.170 -0.000 0.000 0.243 1252 I C 2.398 178.587 176.117 0.119 0.000 1.093 1252 I CA 1.339 62.700 61.300 0.100 0.000 1.380 1252 I CB -0.376 37.684 38.000 0.100 0.000 1.067 1252 I HN 0.669 nan 8.210 nan 0.000 0.413 1253 W N 2.227 123.544 121.300 0.028 0.000 2.350 1253 W HA -0.255 4.405 4.660 -0.000 0.000 0.289 1253 W C 2.494 179.032 176.519 0.032 0.000 1.215 1253 W CA 2.112 59.478 57.345 0.034 0.000 1.236 1253 W CB 0.031 29.508 29.460 0.028 0.000 1.130 1253 W HN 0.160 nan 8.180 nan 0.000 0.541 1254 E N 0.087 120.429 120.200 0.237 0.000 2.028 1254 E HA -0.242 4.108 4.350 -0.000 0.000 0.190 1254 E C 2.369 178.925 176.600 -0.073 0.000 0.984 1254 E CA 1.351 57.808 56.400 0.094 0.000 0.800 1254 E CB -0.472 29.340 29.700 0.187 0.000 0.758 1254 E HN 0.185 nan 8.360 nan 0.000 0.448 1255 R N 0.617 121.107 120.500 -0.018 0.000 2.112 1255 R HA -0.243 4.097 4.340 -0.000 0.000 0.242 1255 R C 2.205 178.449 176.300 -0.094 0.000 1.137 1255 R CA 2.353 58.431 56.100 -0.037 0.000 0.944 1255 R CB -0.189 30.108 30.300 -0.005 0.000 0.857 1255 R HN 0.309 nan 8.270 nan 0.000 0.435 1256 E N -0.173 119.946 120.200 -0.135 0.000 2.038 1256 E HA -0.277 4.073 4.350 -0.000 0.000 0.195 1256 E C 2.164 178.621 176.600 -0.239 0.000 1.000 1256 E CA 1.316 57.613 56.400 -0.171 0.000 0.803 1256 E CB -0.190 29.394 29.700 -0.193 0.000 0.750 1256 E HN 0.293 nan 8.360 nan 0.000 0.448 1257 Q N 0.893 120.447 119.800 -0.410 0.000 2.133 1257 Q HA -0.263 4.077 4.340 -0.000 0.000 0.208 1257 Q C 1.927 177.794 176.000 -0.222 0.000 0.991 1257 Q CA 2.138 57.677 55.803 -0.440 0.000 0.867 1257 Q CB -0.331 27.983 28.738 -0.707 0.000 0.911 1257 Q HN 0.249 nan 8.270 nan 0.000 0.417 1258 E N -0.429 119.678 120.200 -0.154 0.000 2.051 1258 E HA -0.157 4.193 4.350 -0.000 0.000 0.192 1258 E C 1.717 178.272 176.600 -0.075 0.000 0.991 1258 E CA 1.701 58.051 56.400 -0.084 0.000 0.799 1258 E CB -0.629 29.040 29.700 -0.052 0.000 0.748 1258 E HN 0.303 nan 8.360 nan 0.000 0.449 1259 A N 1.293 124.063 122.820 -0.083 0.000 1.908 1259 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 1259 A C 2.263 179.805 177.584 -0.070 0.000 1.181 1259 A CA 1.616 53.613 52.037 -0.067 0.000 0.627 1259 A CB -0.910 18.051 19.000 -0.066 0.000 0.818 1259 A HN 0.433 nan 8.150 nan 0.000 0.445 1260 L N -0.202 120.964 121.223 -0.095 0.000 2.012 1260 L HA -0.072 4.268 4.340 -0.000 0.000 0.210 1260 L C 2.036 178.868 176.870 -0.064 0.000 1.073 1260 L CA 2.306 57.095 54.840 -0.086 0.000 0.748 1260 L CB -1.399 40.591 42.059 -0.114 0.000 0.891 1260 L HN 0.377 nan 8.230 nan 0.000 0.431 1261 A N 0.019 122.800 122.820 -0.066 0.000 3.033 1261 A HA 0.181 4.501 4.320 -0.000 0.000 0.250 1261 A C 0.610 178.173 177.584 -0.035 0.000 1.633 1261 A CA 0.506 52.517 52.037 -0.043 0.000 1.290 1261 A CB -0.930 18.047 19.000 -0.038 0.000 1.048 1261 A HN 0.679 nan 8.150 nan 0.000 0.648 1262 N N -1.463 117.216 118.700 -0.036 0.000 2.183 1262 N HA 0.012 4.752 4.740 -0.000 0.000 0.214 1262 N C -0.854 174.638 175.510 -0.029 0.000 1.441 1262 N CA -0.290 52.743 53.050 -0.028 0.000 1.255 1262 N CB -0.395 38.076 38.487 -0.027 0.000 1.072 1262 N HN 0.259 nan 8.380 nan 0.000 0.650 1263 L N 2.890 124.092 121.223 -0.036 0.000 2.693 1263 L HA 0.049 4.389 4.340 -0.000 0.000 0.292 1263 L C -1.521 175.330 176.870 -0.032 0.000 1.243 1263 L CA 0.054 54.871 54.840 -0.038 0.000 0.903 1263 L CB -0.302 41.729 42.059 -0.047 0.000 1.160 1263 L HN 0.184 nan 8.230 nan 0.000 0.496 1264 P HA -0.081 nan 4.420 nan 0.000 0.262 1264 P C 0.401 177.688 177.300 -0.021 0.000 1.182 1264 P CA 0.391 63.481 63.100 -0.018 0.000 0.761 1264 P CB 0.600 32.294 31.700 -0.010 0.000 0.795 1265 A N 4.918 127.730 122.820 -0.013 0.000 1.906 1265 A HA -0.308 4.012 4.320 -0.000 0.000 0.222 1265 A C 1.799 179.377 177.584 -0.011 0.000 1.282 1265 A CA 2.558 54.588 52.037 -0.011 0.000 0.675 1265 A CB -1.428 17.570 19.000 -0.003 0.000 0.838 1265 A HN 0.539 nan 8.150 nan 0.000 0.469 1266 D N -0.367 120.038 120.400 0.009 0.000 2.228 1266 D HA -0.135 4.505 4.640 -0.000 0.000 0.203 1266 D C 1.662 177.934 176.300 -0.046 0.000 0.988 1266 D CA 1.210 55.237 54.000 0.044 0.000 0.864 1266 D CB -0.331 40.534 40.800 0.108 0.000 0.928 1266 D HN 0.549 nan 8.370 nan 0.000 0.469 1267 L N 0.077 121.240 121.223 -0.099 0.000 2.529 1267 L HA 0.177 4.517 4.340 -0.000 0.000 0.223 1267 L C 2.249 179.029 176.870 -0.150 0.000 1.113 1267 L CA 0.092 54.815 54.840 -0.196 0.000 0.861 1267 L CB -0.087 41.889 42.059 -0.137 0.000 1.012 1267 L HN -0.076 nan 8.230 nan 0.000 0.461 1268 A N 0.464 123.229 122.820 -0.092 0.000 2.131 1268 A HA -0.104 4.216 4.320 -0.000 0.000 0.220 1268 A C 2.237 179.776 177.584 -0.075 0.000 1.158 1268 A CA 1.689 53.684 52.037 -0.069 0.000 0.665 1268 A CB -0.676 18.299 19.000 -0.042 0.000 0.795 1268 A HN 0.436 nan 8.150 nan 0.000 0.460 1269 G N -1.000 107.744 108.800 -0.094 0.000 2.595 1269 G HA2 0.341 4.301 3.960 -0.000 0.000 0.213 1269 G HA3 0.341 4.301 3.960 -0.000 0.000 0.213 1269 G C 0.412 175.236 174.900 -0.127 0.000 1.141 1269 G CA -0.177 44.871 45.100 -0.087 0.000 0.806 1269 G HN 0.325 nan 8.290 nan 0.000 0.530 1270 L N 2.612 123.723 121.223 -0.187 0.000 2.456 1270 L HA 0.265 4.605 4.340 -0.000 0.000 0.272 1270 L C -1.748 175.009 176.870 -0.189 0.000 1.189 1270 L CA -1.524 53.182 54.840 -0.224 0.000 0.846 1270 L CB 0.088 41.989 42.059 -0.263 0.000 1.111 1270 L HN -0.007 nan 8.230 nan 0.000 0.475 1271 P HA 0.098 nan 4.420 nan 0.000 0.268 1271 P C -0.787 176.488 177.300 -0.041 0.000 1.205 1271 P CA -0.187 62.816 63.100 -0.162 0.000 0.771 1271 P CB 0.564 32.087 31.700 -0.295 0.000 0.858 1272 T N 2.871 117.435 114.554 0.016 0.000 2.841 1272 T HA 0.329 4.679 4.350 -0.000 0.000 0.285 1272 T C -0.687 174.057 174.700 0.073 0.000 0.991 1272 T CA -0.498 61.625 62.100 0.038 0.000 0.966 1272 T CB 1.194 70.055 68.868 -0.012 0.000 0.962 1272 T HN 0.322 nan 8.240 nan 0.000 0.438 1273 D N 1.987 122.454 120.400 0.112 0.000 2.350 1273 D HA 0.596 5.236 4.640 -0.000 0.000 0.238 1273 D C -0.140 176.176 176.300 0.026 0.000 0.989 1273 D CA -0.392 53.674 54.000 0.110 0.000 0.921 1273 D CB 2.257 43.214 40.800 0.260 0.000 1.297 1273 D HN 0.592 nan 8.370 nan 0.000 0.490 1274 T N -1.295 113.228 114.554 -0.052 0.000 2.861 1274 T HA 0.664 5.014 4.350 -0.000 0.000 0.287 1274 T C -0.601 173.936 174.700 -0.272 0.000 1.003 1274 T CA -0.815 61.185 62.100 -0.167 0.000 0.977 1274 T CB 0.787 69.507 68.868 -0.246 0.000 0.996 1274 T HN 0.209 nan 8.240 nan 0.000 0.448 1275 L N 2.874 123.954 121.223 -0.238 0.000 2.334 1275 L HA 0.647 4.987 4.340 -0.000 0.000 0.273 1275 L C -0.549 176.158 176.870 -0.271 0.000 1.013 1275 L CA -1.152 53.562 54.840 -0.212 0.000 0.816 1275 L CB 1.388 43.414 42.059 -0.054 0.000 1.278 1275 L HN 0.585 nan 8.230 nan 0.000 0.431 1276 F N 1.344 121.322 119.950 0.046 0.000 2.378 1276 F HA 0.323 4.850 4.527 -0.000 0.000 0.325 1276 F C 0.323 176.143 175.800 0.033 0.000 1.097 1276 F CA -0.685 57.342 58.000 0.044 0.000 1.079 1276 F CB 0.958 39.989 39.000 0.051 0.000 1.240 1276 F HN 0.187 nan 8.300 nan 0.000 0.519 1277 L N 3.220 124.611 121.223 0.280 0.000 2.499 1277 L HA 0.122 4.462 4.340 -0.000 0.000 0.273 1277 L C -0.284 176.658 176.870 0.120 0.000 1.195 1277 L CA 0.115 55.045 54.840 0.150 0.000 0.882 1277 L CB -0.040 42.096 42.059 0.128 0.000 1.133 1277 L HN 0.428 nan 8.230 nan 0.000 0.483 1278 Q N 6.019 125.866 119.800 0.078 0.000 2.235 1278 Q HA 0.361 4.701 4.340 -0.000 0.000 0.256 1278 Q C -1.878 174.143 176.000 0.035 0.000 0.951 1278 Q CA -1.820 54.016 55.803 0.055 0.000 0.890 1278 Q CB 1.063 29.825 28.738 0.039 0.000 1.279 1278 Q HN 0.466 nan 8.270 nan 0.000 0.444 1279 P HA -0.105 nan 4.420 nan 0.000 0.212 1279 P C 0.029 177.335 177.300 0.011 0.000 1.180 1279 P CA 0.927 64.037 63.100 0.016 0.000 0.906 1279 P CB 0.322 32.028 31.700 0.009 0.000 0.782 1280 V N 0.668 120.585 119.914 0.006 0.000 2.547 1280 V HA 0.217 4.337 4.120 -0.000 0.000 0.299 1280 V C 0.110 176.201 176.094 -0.004 0.000 1.040 1280 V CA -1.013 61.287 62.300 -0.000 0.000 0.913 1280 V CB 1.129 32.949 31.823 -0.005 0.000 0.992 1280 V HN -0.005 nan 8.190 nan 0.000 0.449 1281 N N 3.681 122.377 118.700 -0.006 0.000 2.411 1281 N HA 0.102 4.842 4.740 -0.000 0.000 0.265 1281 N C -0.178 175.316 175.510 -0.026 0.000 1.266 1281 N CA 0.036 53.078 53.050 -0.013 0.000 0.889 1281 N CB 0.370 38.850 38.487 -0.011 0.000 1.069 1281 N HN 0.546 nan 8.380 nan 0.000 0.476 1282 M N 1.678 121.257 119.600 -0.036 0.000 2.390 1282 M HA -0.042 4.438 4.480 -0.000 0.000 0.353 1282 M C 1.375 177.628 176.300 -0.078 0.000 1.623 1282 M CA 0.362 55.629 55.300 -0.056 0.000 1.065 1282 M CB 0.298 32.858 32.600 -0.066 0.000 2.025 1282 M HN 0.337 nan 8.290 nan 0.000 0.461 1283 V N 2.326 122.193 119.914 -0.078 0.000 3.562 1283 V HA 0.498 4.618 4.120 -0.000 0.000 0.270 1283 V C 0.632 176.655 176.094 -0.119 0.000 1.418 1283 V CA 0.855 63.101 62.300 -0.090 0.000 1.033 1283 V CB 0.525 32.314 31.823 -0.056 0.000 0.820 1283 V HN 0.871 nan 8.190 nan 0.000 0.441 1284 G N -1.368 107.366 108.800 -0.110 0.000 2.630 1284 G HA2 0.462 4.422 3.960 -0.000 0.000 0.296 1284 G HA3 0.462 4.422 3.960 -0.000 0.000 0.296 1284 G C 0.543 175.370 174.900 -0.123 0.000 1.285 1284 G CA 0.324 45.357 45.100 -0.112 0.000 0.958 1284 G HN -0.116 nan 8.290 nan 0.000 0.479 1285 V N 0.601 120.454 119.914 -0.101 0.000 2.278 1285 V HA -0.235 3.885 4.120 -0.000 0.000 0.251 1285 V C 3.034 179.103 176.094 -0.042 0.000 1.062 1285 V CA 2.805 65.064 62.300 -0.068 0.000 1.038 1285 V CB -0.630 31.191 31.823 -0.005 0.000 0.646 1285 V HN 0.675 nan 8.190 nan 0.000 0.447 1286 S N -0.183 115.500 115.700 -0.028 0.000 2.382 1286 S HA -0.142 4.328 4.470 -0.000 0.000 0.228 1286 S C 2.182 176.770 174.600 -0.020 0.000 1.027 1286 S CA 1.343 59.533 58.200 -0.016 0.000 0.991 1286 S CB -0.479 62.715 63.200 -0.010 0.000 0.823 1286 S HN 0.679 nan 8.310 nan 0.000 0.469 1287 A N 1.742 124.543 122.820 -0.033 0.000 1.873 1287 A HA -0.008 4.312 4.320 -0.000 0.000 0.215 1287 A C 1.968 179.531 177.584 -0.036 0.000 1.186 1287 A CA 1.086 53.104 52.037 -0.031 0.000 0.616 1287 A CB -0.631 18.344 19.000 -0.042 0.000 0.823 1287 A HN 0.362 nan 8.150 nan 0.000 0.442 1288 L N 0.420 121.605 121.223 -0.064 0.000 2.083 1288 L HA -0.115 4.225 4.340 -0.000 0.000 0.209 1288 L C 2.725 179.578 176.870 -0.028 0.000 1.083 1288 L CA 2.122 56.921 54.840 -0.068 0.000 0.752 1288 L CB -1.641 40.346 42.059 -0.120 0.000 0.899 1288 L HN 0.370 nan 8.230 nan 0.000 0.433 1289 S N -0.416 115.273 115.700 -0.018 0.000 2.348 1289 S HA -0.165 4.305 4.470 -0.000 0.000 0.221 1289 S C 1.928 176.536 174.600 0.015 0.000 1.033 1289 S CA 0.939 59.140 58.200 0.002 0.000 1.010 1289 S CB -0.277 62.925 63.200 0.004 0.000 0.891 1289 S HN 0.377 nan 8.310 nan 0.000 0.442 1290 R N 0.826 121.335 120.500 0.014 0.000 2.355 1290 R HA 0.078 4.418 4.340 -0.000 0.000 0.219 1290 R C 2.043 178.373 176.300 0.049 0.000 1.107 1290 R CA 0.346 56.465 56.100 0.031 0.000 1.021 1290 R CB -0.409 29.906 30.300 0.026 0.000 0.852 1290 R HN 0.382 nan 8.270 nan 0.000 0.475 1291 L N 0.276 121.521 121.223 0.037 0.000 2.056 1291 L HA -0.167 4.173 4.340 -0.000 0.000 0.207 1291 L C 1.464 178.376 176.870 0.071 0.000 1.078 1291 L CA 1.061 55.931 54.840 0.049 0.000 0.749 1291 L CB -0.009 42.063 42.059 0.022 0.000 0.901 1291 L HN 0.215 nan 8.230 nan 0.000 0.433 1292 L N -0.840 120.423 121.223 0.067 0.000 2.217 1292 L HA -0.032 4.308 4.340 -0.000 0.000 0.211 1292 L C 2.008 178.919 176.870 0.068 0.000 1.107 1292 L CA 0.772 55.656 54.840 0.072 0.000 0.783 1292 L CB -1.732 40.351 42.059 0.040 0.000 0.919 1292 L HN 0.188 nan 8.230 nan 0.000 0.442 1293 S N -0.357 115.387 115.700 0.074 0.000 2.775 1293 S HA -0.046 4.424 4.470 -0.000 0.000 0.250 1293 S C 0.760 175.449 174.600 0.150 0.000 1.391 1293 S CA 0.527 58.780 58.200 0.089 0.000 0.972 1293 S CB 0.376 63.624 63.200 0.079 0.000 0.963 1293 S HN 0.359 nan 8.310 nan 0.000 0.570 1294 T N 1.201 115.861 114.554 0.177 0.000 3.305 1294 T HA 0.457 4.807 4.350 -0.000 0.000 0.348 1294 T C -0.948 173.884 174.700 0.220 0.000 1.394 1294 T CA -0.179 62.103 62.100 0.304 0.000 1.549 1294 T CB -0.956 68.058 68.868 0.242 0.000 0.962 1294 T HN 0.777 nan 8.240 nan 0.000 0.609 1308 Q N 0.797 120.594 119.800 -0.005 0.000 2.379 1308 Q HA 0.134 4.474 4.340 -0.000 0.000 0.320 1308 Q C -0.436 175.559 176.000 -0.008 0.000 1.153 1308 Q CA 0.807 56.606 55.803 -0.007 0.000 0.993 1308 Q CB 0.336 29.070 28.738 -0.007 0.000 1.265 1308 Q HN 0.469 nan 8.270 nan 0.000 0.423 1309 R N 2.319 122.812 120.500 -0.012 0.000 2.539 1309 R HA 0.290 4.630 4.340 -0.000 0.000 0.295 1309 R C -2.432 173.855 176.300 -0.021 0.000 1.138 1309 R CA -1.428 54.663 56.100 -0.014 0.000 0.936 1309 R CB 0.881 31.172 30.300 -0.015 0.000 1.182 1309 R HN 0.499 nan 8.270 nan 0.000 0.459 1310 P HA 0.031 nan 4.420 nan 0.000 0.270 1310 P C -0.762 176.516 177.300 -0.038 0.000 1.227 1310 P CA -0.057 63.027 63.100 -0.027 0.000 0.788 1310 P CB 0.767 32.454 31.700 -0.022 0.000 0.926 1311 D N 0.538 120.910 120.400 -0.046 0.000 2.970 1311 D HA 0.380 5.020 4.640 -0.000 0.000 0.282 1311 D C -0.894 175.364 176.300 -0.070 0.000 1.291 1311 D CA -0.310 53.654 54.000 -0.059 0.000 0.967 1311 D CB -0.908 39.857 40.800 -0.057 0.000 1.017 1311 D HN 0.075 nan 8.370 nan 0.000 0.512 1312 I N 1.696 122.225 120.570 -0.067 0.000 2.569 1312 I HA 0.421 4.591 4.170 -0.000 0.000 0.296 1312 I C -2.013 174.056 176.117 -0.080 0.000 1.028 1312 I CA -2.374 58.884 61.300 -0.071 0.000 1.082 1312 I CB 1.935 39.906 38.000 -0.048 0.000 1.264 1312 I HN 0.101 nan 8.210 nan 0.000 0.429 1313 P HA 0.265 nan 4.420 nan 0.000 0.272 1313 P C -0.801 176.462 177.300 -0.062 0.000 1.223 1313 P CA -0.461 62.581 63.100 -0.097 0.000 0.784 1313 P CB 0.475 32.107 31.700 -0.112 0.000 0.923 1314 S N 1.715 117.376 115.700 -0.065 0.000 2.645 1314 S HA 0.121 4.591 4.470 -0.000 0.000 0.266 1314 S C 1.182 175.779 174.600 -0.004 0.000 1.258 1314 S CA -0.742 57.436 58.200 -0.036 0.000 0.990 1314 S CB 0.158 63.324 63.200 -0.057 0.000 0.967 1314 S HN 0.450 nan 8.310 nan 0.000 0.556 1315 L N 1.520 122.753 121.223 0.016 0.000 2.187 1315 L HA -0.116 4.224 4.340 -0.000 0.000 0.213 1315 L C 2.459 179.357 176.870 0.046 0.000 1.100 1315 L CA 2.450 57.312 54.840 0.038 0.000 0.765 1315 L CB -1.518 40.564 42.059 0.039 0.000 0.904 1315 L HN 1.041 nan 8.230 nan 0.000 0.437 1316 S N -0.589 115.133 115.700 0.037 0.000 2.447 1316 S HA -0.070 4.400 4.470 -0.000 0.000 0.233 1316 S C 2.085 176.738 174.600 0.088 0.000 1.006 1316 S CA 0.738 58.974 58.200 0.060 0.000 0.957 1316 S CB -0.353 62.886 63.200 0.065 0.000 0.773 1316 S HN 0.475 nan 8.310 nan 0.000 0.507 1317 A N 1.814 124.674 122.820 0.066 0.000 1.968 1317 A HA 0.265 4.585 4.320 -0.000 0.000 0.217 1317 A C 2.259 179.913 177.584 0.117 0.000 1.169 1317 A CA 0.984 53.074 52.037 0.089 0.000 0.638 1317 A CB -0.632 18.378 19.000 0.017 0.000 0.812 1317 A HN 0.538 nan 8.150 nan 0.000 0.446 1318 L N -0.519 120.773 121.223 0.116 0.000 2.044 1318 L HA -0.121 4.219 4.340 -0.000 0.000 0.205 1318 L C 2.518 179.521 176.870 0.221 0.000 1.075 1318 L CA 0.956 55.927 54.840 0.219 0.000 0.747 1318 L CB -0.638 41.564 42.059 0.238 0.000 0.903 1318 L HN 0.234 nan 8.230 nan 0.000 0.435 1319 V N -0.102 119.877 119.914 0.108 0.000 2.282 1319 V HA -0.327 3.793 4.120 -0.000 0.000 0.249 1319 V C 2.168 178.257 176.094 -0.008 0.000 1.057 1319 V CA 1.994 64.300 62.300 0.011 0.000 1.032 1319 V CB -0.617 31.202 31.823 -0.006 0.000 0.645 1319 V HN 0.435 nan 8.190 nan 0.000 0.447 1320 D N 0.108 120.549 120.400 0.068 0.000 2.104 1320 D HA -0.178 4.462 4.640 -0.000 0.000 0.194 1320 D C 1.977 178.320 176.300 0.072 0.000 0.994 1320 D CA 1.603 55.649 54.000 0.075 0.000 0.830 1320 D CB -0.427 40.480 40.800 0.178 0.000 0.959 1320 D HN 0.423 nan 8.370 nan 0.000 0.452 1321 D N 0.295 120.793 120.400 0.164 0.000 2.178 1321 D HA -0.112 4.528 4.640 -0.000 0.000 0.201 1321 D C 2.209 178.599 176.300 0.149 0.000 0.980 1321 D CA 0.400 54.533 54.000 0.223 0.000 0.842 1321 D CB -0.210 40.818 40.800 0.379 0.000 0.948 1321 D HN 0.406 nan 8.370 nan 0.000 0.472 1322 I N -1.435 119.153 120.570 0.031 0.000 3.001 1322 I HA 0.044 4.214 4.170 -0.000 0.000 0.268 1322 I C 1.759 177.749 176.117 -0.212 0.000 1.267 1322 I CA 0.808 61.998 61.300 -0.184 0.000 1.472 1322 I CB -0.074 37.722 38.000 -0.341 0.000 1.089 1322 I HN -0.162 nan 8.210 nan 0.000 0.468 1323 A N 0.727 123.389 122.820 -0.265 0.000 2.251 1323 A HA 0.188 4.508 4.320 -0.000 0.000 0.209 1323 A C 2.217 179.678 177.584 -0.205 0.000 1.187 1323 A CA 0.109 51.870 52.037 -0.459 0.000 0.823 1323 A CB -0.638 18.071 19.000 -0.486 0.000 0.846 1323 A HN 0.454 nan 8.150 nan 0.000 0.486 1324 R N 0.171 120.631 120.500 -0.066 0.000 2.148 1324 R HA -0.010 4.330 4.340 -0.000 0.000 0.227 1324 R C 0.194 176.484 176.300 -0.016 0.000 1.103 1324 R CA 0.816 56.914 56.100 -0.002 0.000 0.983 1324 R CB -0.119 30.202 30.300 0.034 0.000 0.874 1324 R HN 0.641 nan 8.270 nan 0.000 0.451 1325 N N -0.168 118.505 118.700 -0.044 0.000 2.478 1325 N HA 0.045 4.785 4.740 -0.000 0.000 0.275 1325 N C 0.365 175.805 175.510 -0.116 0.000 1.221 1325 N CA -0.691 52.297 53.050 -0.103 0.000 0.979 1325 N CB 0.907 39.306 38.487 -0.147 0.000 1.202 1325 N HN -0.089 nan 8.380 nan 0.000 0.564 1326 E N 0.117 120.114 120.200 -0.338 0.000 2.190 1326 E HA -0.009 4.341 4.350 -0.000 0.000 0.191 1326 E C 0.193 176.365 176.600 -0.714 0.000 0.978 1326 E CA 1.195 57.403 56.400 -0.320 0.000 0.839 1326 E CB 0.139 29.661 29.700 -0.297 0.000 0.787 1326 E HN 0.634 nan 8.360 nan 0.000 0.473 1327 H N -2.396 116.229 119.070 -0.741 0.000 3.110 1327 H HA 0.672 5.228 4.556 -0.000 0.000 0.277 1327 H C 0.100 174.997 175.328 -0.719 0.000 1.571 1327 H CA -0.646 54.695 56.048 -1.178 0.000 1.206 1327 H CB 1.345 30.763 29.762 -0.574 0.000 1.852 1327 H HN 0.079 nan 8.280 nan 0.000 0.629 1328 G N -0.023 108.654 108.800 -0.205 0.000 2.317 1328 G HA2 0.253 4.213 3.960 -0.000 0.000 0.445 1328 G HA3 0.253 4.213 3.960 -0.000 0.000 0.445 1328 G C -2.212 172.690 174.900 0.003 0.000 1.486 1328 G CA -0.546 44.534 45.100 -0.034 0.000 0.991 1328 G HN 0.567 nan 8.290 nan 0.000 0.660 1329 L N 1.029 122.247 121.223 -0.008 0.000 2.276 1329 L HA 0.831 5.171 4.340 -0.000 0.000 0.286 1329 L C -0.039 176.824 176.870 -0.011 0.000 1.061 1329 L CA -0.738 54.101 54.840 -0.003 0.000 0.807 1329 L CB 0.640 42.698 42.059 -0.001 0.000 1.177 1329 L HN 0.457 nan 8.230 nan 0.000 0.429 1330 I N 6.411 126.981 120.570 0.000 0.000 2.418 1330 I HA 0.406 4.576 4.170 -0.000 0.000 0.287 1330 I C -0.591 175.526 176.117 -0.001 0.000 1.008 1330 I CA -0.393 60.894 61.300 -0.023 0.000 1.104 1330 I CB 1.564 39.545 38.000 -0.030 0.000 1.264 1330 I HN 0.552 nan 8.210 nan 0.000 0.438 1331 M N 7.255 126.860 119.600 0.009 0.000 2.134 1331 M HA 0.451 4.931 4.480 -0.000 0.000 0.310 1331 M C -1.158 175.152 176.300 0.016 0.000 0.966 1331 M CA -0.631 54.683 55.300 0.025 0.000 0.922 1331 M CB 2.234 34.855 32.600 0.035 0.000 1.537 1331 M HN 0.349 nan 8.290 nan 0.000 0.424 1332 L N 4.696 125.927 121.223 0.013 0.000 2.265 1332 L HA 0.541 4.881 4.340 -0.000 0.000 0.288 1332 L C -0.318 176.537 176.870 -0.025 0.000 1.058 1332 L CA 0.425 55.263 54.840 -0.003 0.000 0.809 1332 L CB 0.730 42.791 42.059 0.003 0.000 1.179 1332 L HN 0.691 nan 8.230 nan 0.000 0.429 1333 M N 2.262 121.824 119.600 -0.063 0.000 2.662 1333 M HA 0.879 5.359 4.480 -0.000 0.000 0.310 1333 M C 0.106 176.325 176.300 -0.135 0.000 1.204 1333 M CA -0.676 54.567 55.300 -0.095 0.000 0.891 1333 M CB 2.471 35.003 32.600 -0.113 0.000 1.732 1333 M HN 0.663 nan 8.290 nan 0.000 0.467 1334 G N 0.745 109.468 108.800 -0.128 0.000 2.321 1334 G HA2 0.202 4.162 3.960 -0.000 0.000 0.298 1334 G HA3 0.202 4.162 3.960 -0.000 0.000 0.298 1334 G C -1.719 173.120 174.900 -0.102 0.000 1.385 1334 G CA -0.988 44.026 45.100 -0.143 0.000 0.856 1334 G HN 0.444 nan 8.290 nan 0.000 0.584 1335 K N -0.272 120.071 120.400 -0.096 0.000 2.156 1335 K HA 0.474 4.794 4.320 -0.000 0.000 0.242 1335 K C 1.122 177.692 176.600 -0.049 0.000 1.033 1335 K CA 0.250 56.498 56.287 -0.065 0.000 0.878 1335 K CB 0.164 32.631 32.500 -0.055 0.000 1.057 1335 K HN 0.953 nan 8.250 nan 0.000 0.505 1336 G N -1.030 107.749 108.800 -0.035 0.000 2.398 1336 G HA2 0.356 4.316 3.960 -0.000 0.000 0.246 1336 G HA3 0.356 4.316 3.960 -0.000 0.000 0.246 1336 G C 0.867 175.755 174.900 -0.020 0.000 1.289 1336 G CA 0.270 45.355 45.100 -0.026 0.000 0.869 1336 G HN 0.672 nan 8.290 nan 0.000 0.543 1337 G N 0.065 108.855 108.800 -0.016 0.000 2.179 1337 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.260 1337 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.260 1337 G C 1.369 176.262 174.900 -0.011 0.000 0.977 1337 G CA 1.012 46.106 45.100 -0.010 0.000 0.641 1337 G HN 1.899 nan 8.290 nan 0.000 0.533 1338 V N -2.324 117.578 119.914 -0.020 0.000 2.626 1338 V HA 0.451 4.571 4.120 -0.000 0.000 0.252 1338 V C 2.048 178.135 176.094 -0.012 0.000 1.067 1338 V CA 2.059 64.347 62.300 -0.020 0.000 1.081 1338 V CB -0.391 31.407 31.823 -0.041 0.000 0.686 1338 V HN 2.282 nan 8.190 nan 0.000 0.468 1339 G N -0.308 108.486 108.800 -0.011 0.000 2.151 1339 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.140 1339 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.140 1339 G C 0.535 175.434 174.900 -0.002 0.000 1.020 1339 G CA 0.199 45.297 45.100 -0.002 0.000 0.688 1339 G HN 0.449 nan 8.290 nan 0.000 0.500 1340 K N -0.054 120.340 120.400 -0.010 0.000 2.077 1340 K HA -0.190 4.130 4.320 -0.000 0.000 0.213 1340 K C 2.490 179.093 176.600 0.006 0.000 1.051 1340 K CA 2.227 58.509 56.287 -0.007 0.000 0.929 1340 K CB -0.364 32.129 32.500 -0.012 0.000 0.715 1340 K HN 0.374 nan 8.250 nan 0.000 0.451 1341 T N 0.527 115.087 114.554 0.010 0.000 2.777 1341 T HA -0.107 4.243 4.350 -0.000 0.000 0.266 1341 T C 1.969 176.678 174.700 0.014 0.000 1.040 1341 T CA 1.775 63.885 62.100 0.016 0.000 1.141 1341 T CB -0.379 68.501 68.868 0.020 0.000 0.868 1341 T HN 0.315 nan 8.240 nan 0.000 0.444 1342 T N 2.929 117.491 114.554 0.013 0.000 2.674 1342 T HA -0.076 4.274 4.350 -0.000 0.000 0.265 1342 T C 2.096 176.805 174.700 0.015 0.000 1.039 1342 T CA 1.087 63.196 62.100 0.015 0.000 1.150 1342 T CB -0.303 68.573 68.868 0.015 0.000 0.864 1342 T HN 0.192 nan 8.240 nan 0.000 0.427 1343 M N 1.365 120.973 119.600 0.015 0.000 2.108 1343 M HA 0.007 4.487 4.480 -0.000 0.000 0.261 1343 M C 2.835 179.143 176.300 0.014 0.000 1.066 1343 M CA 1.540 56.850 55.300 0.017 0.000 1.107 1343 M CB -1.662 30.949 32.600 0.019 0.000 1.356 1343 M HN 0.334 nan 8.290 nan 0.000 0.406 1344 A N 0.394 123.220 122.820 0.011 0.000 1.902 1344 A HA 0.003 4.323 4.320 -0.000 0.000 0.217 1344 A C 2.504 180.090 177.584 0.004 0.000 1.181 1344 A CA 2.267 54.307 52.037 0.006 0.000 0.623 1344 A CB -0.966 18.038 19.000 0.006 0.000 0.818 1344 A HN 0.480 nan 8.150 nan 0.000 0.443 1345 A N -0.001 122.825 122.820 0.009 0.000 1.865 1345 A HA 0.109 4.429 4.320 -0.000 0.000 0.217 1345 A C 2.572 180.162 177.584 0.009 0.000 1.191 1345 A CA 2.477 54.520 52.037 0.010 0.000 0.623 1345 A CB -1.288 17.720 19.000 0.014 0.000 0.826 1345 A HN 1.167 nan 8.150 nan 0.000 0.444 1346 A N -0.065 122.762 122.820 0.012 0.000 1.873 1346 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 1346 A C 2.159 179.747 177.584 0.006 0.000 1.193 1346 A CA 1.844 53.889 52.037 0.014 0.000 0.629 1346 A CB -0.779 18.232 19.000 0.019 0.000 0.826 1346 A HN 0.531 nan 8.150 nan 0.000 0.447 1347 I N -0.391 120.178 120.570 -0.001 0.000 2.163 1347 I HA -0.306 3.864 4.170 -0.000 0.000 0.243 1347 I C 3.004 179.095 176.117 -0.043 0.000 1.085 1347 I CA 1.102 62.388 61.300 -0.024 0.000 1.347 1347 I CB -0.414 37.569 38.000 -0.029 0.000 1.044 1347 I HN 0.385 nan 8.210 nan 0.000 0.408 1348 A N 0.469 123.274 122.820 -0.025 0.000 1.865 1348 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 1348 A C 2.451 180.033 177.584 -0.003 0.000 1.191 1348 A CA 2.036 54.064 52.037 -0.015 0.000 0.623 1348 A CB -1.103 17.900 19.000 0.006 0.000 0.826 1348 A HN 0.234 nan 8.150 nan 0.000 0.444 1349 V N -0.017 119.900 119.914 0.005 0.000 2.287 1349 V HA -0.284 3.836 4.120 -0.000 0.000 0.248 1349 V C 2.683 178.786 176.094 0.016 0.000 1.053 1349 V CA 2.496 64.804 62.300 0.014 0.000 1.027 1349 V CB -0.855 30.978 31.823 0.016 0.000 0.646 1349 V HN 0.626 nan 8.190 nan 0.000 0.447 1350 R N -0.063 120.442 120.500 0.009 0.000 2.094 1350 R HA -0.175 4.165 4.340 -0.000 0.000 0.239 1350 R C 2.006 178.320 176.300 0.025 0.000 1.137 1350 R CA 1.888 57.996 56.100 0.015 0.000 0.943 1350 R CB -0.952 29.349 30.300 0.002 0.000 0.850 1350 R HN 0.313 nan 8.270 nan 0.000 0.433 1351 L N 0.074 121.287 121.223 -0.016 0.000 1.989 1351 L HA -0.053 4.287 4.340 -0.000 0.000 0.211 1351 L C 2.390 179.345 176.870 0.142 0.000 1.071 1351 L CA 2.280 57.127 54.840 0.012 0.000 0.749 1351 L CB -1.679 40.243 42.059 -0.229 0.000 0.890 1351 L HN 0.359 nan 8.230 nan 0.000 0.431 1352 A N -0.527 122.339 122.820 0.077 0.000 1.892 1352 A HA -0.259 4.061 4.320 -0.000 0.000 0.218 1352 A C 2.040 179.648 177.584 0.041 0.000 1.188 1352 A CA 2.126 54.206 52.037 0.072 0.000 0.631 1352 A CB -0.793 18.234 19.000 0.044 0.000 0.822 1352 A HN 0.426 nan 8.150 nan 0.000 0.447 1353 D N -0.836 119.584 120.400 0.033 0.000 2.218 1353 D HA -0.083 4.557 4.640 -0.000 0.000 0.204 1353 D C 1.462 177.762 176.300 0.000 0.000 0.976 1353 D CA 0.888 54.897 54.000 0.015 0.000 0.853 1353 D CB -0.164 40.650 40.800 0.022 0.000 0.939 1353 D HN 0.273 nan 8.370 nan 0.000 0.481 1354 M N -0.908 118.711 119.600 0.031 0.000 2.568 1354 M HA 0.245 4.725 4.480 -0.000 0.000 0.226 1354 M C 1.266 177.400 176.300 -0.277 0.000 1.148 1354 M CA 0.175 55.466 55.300 -0.016 0.000 1.007 1354 M CB -0.085 32.609 32.600 0.157 0.000 1.651 1354 M HN 0.125 nan 8.290 nan 0.000 0.488 1355 G N 0.319 108.981 108.800 -0.230 0.000 2.176 1355 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.232 1355 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.232 1355 G C -0.086 174.588 174.900 -0.376 0.000 0.986 1355 G CA -0.499 44.391 45.100 -0.351 0.000 0.643 1355 G HN 0.387 nan 8.290 nan 0.000 0.522 1356 F N 1.333 121.316 119.950 0.055 0.000 2.385 1356 F HA 0.565 5.092 4.527 -0.000 0.000 0.336 1356 F C 0.553 176.445 175.800 0.153 0.000 1.100 1356 F CA -1.123 56.966 58.000 0.149 0.000 1.116 1356 F CB 1.092 40.212 39.000 0.200 0.000 1.166 1356 F HN -0.022 nan 8.300 nan 0.000 0.511 1357 D N 2.393 123.018 120.400 0.374 0.000 2.338 1357 D HA 0.385 5.025 4.640 -0.000 0.000 0.255 1357 D C -0.961 175.527 176.300 0.313 0.000 1.237 1357 D CA 0.193 54.337 54.000 0.239 0.000 0.883 1357 D CB 0.604 41.495 40.800 0.153 0.000 1.087 1357 D HN 0.195 nan 8.370 nan 0.000 0.485 1358 V N 4.257 124.305 119.914 0.224 0.000 2.769 1358 V HA 0.367 4.487 4.120 -0.000 0.000 0.312 1358 V C -0.477 175.715 176.094 0.162 0.000 1.061 1358 V CA -0.940 61.496 62.300 0.226 0.000 0.931 1358 V CB 1.942 33.858 31.823 0.156 0.000 1.010 1358 V HN 0.593 nan 8.190 nan 0.000 0.433 1359 H N 3.343 122.445 119.070 0.053 0.000 2.860 1359 H HA 0.581 5.137 4.556 -0.000 0.000 0.312 1359 H C -1.186 174.113 175.328 -0.049 0.000 0.995 1359 H CA -0.831 55.211 56.048 -0.010 0.000 1.311 1359 H CB 1.442 31.185 29.762 -0.032 0.000 1.478 1359 H HN 0.568 nan 8.280 nan 0.000 0.508 1360 L N 5.201 126.532 121.223 0.181 0.000 2.312 1360 L HA 0.406 4.746 4.340 -0.000 0.000 0.281 1360 L C -0.352 176.495 176.870 -0.039 0.000 1.070 1360 L CA 0.026 54.884 54.840 0.031 0.000 0.805 1360 L CB 1.327 43.401 42.059 0.026 0.000 1.174 1360 L HN 0.722 nan 8.230 nan 0.000 0.434 1361 T N 0.813 115.229 114.554 -0.229 0.000 2.876 1361 T HA 0.754 5.104 4.350 -0.000 0.000 0.289 1361 T C -0.332 174.240 174.700 -0.214 0.000 1.014 1361 T CA -0.627 61.214 62.100 -0.432 0.000 0.986 1361 T CB 1.652 69.764 68.868 -1.259 0.000 1.021 1361 T HN 0.823 nan 8.240 nan 0.000 0.458 1362 T N 0.088 114.646 114.554 0.006 0.000 2.957 1362 T HA 0.493 4.843 4.350 -0.000 0.000 0.336 1362 T C -0.136 174.702 174.700 0.230 0.000 1.462 1362 T CA -0.219 61.982 62.100 0.169 0.000 1.073 1362 T CB 1.272 70.183 68.868 0.073 0.000 1.319 1362 T HN 1.014 nan 8.240 nan 0.000 0.485 1363 S N 2.323 118.135 115.700 0.188 0.000 2.537 1363 S HA 0.345 4.815 4.470 -0.000 0.000 0.246 1363 S C -0.244 174.369 174.600 0.020 0.000 1.036 1363 S CA -0.624 57.621 58.200 0.074 0.000 1.041 1363 S CB -0.073 63.115 63.200 -0.021 0.000 0.799 1363 S HN 0.677 nan 8.310 nan 0.000 0.456 1364 D N 2.484 122.910 120.400 0.042 0.000 2.505 1364 D HA 0.330 4.970 4.640 -0.000 0.000 0.249 1364 D C -2.926 173.394 176.300 0.034 0.000 1.082 1364 D CA -1.773 52.244 54.000 0.028 0.000 0.839 1364 D CB 2.529 43.346 40.800 0.029 0.000 1.317 1364 D HN 0.074 nan 8.370 nan 0.000 0.497 1365 P HA 0.384 nan 4.420 nan 0.000 0.251 1365 P C -0.564 176.755 177.300 0.030 0.000 1.718 1365 P CA -0.201 62.921 63.100 0.036 0.000 1.119 1365 P CB 1.041 32.767 31.700 0.044 0.000 1.762 1366 A N 2.562 125.399 122.820 0.028 0.000 1.586 1366 A HA 0.439 4.759 4.320 -0.000 0.000 0.194 1366 A C 0.957 178.553 177.584 0.021 0.000 1.991 1366 A CA 0.638 52.689 52.037 0.023 0.000 1.590 1366 A CB -0.659 18.354 19.000 0.022 0.000 1.564 1366 A HN 0.522 nan 8.150 nan 0.000 0.295 1378 N N 1.578 120.273 118.700 -0.009 0.000 2.131 1378 N HA -0.105 4.635 4.740 -0.000 0.000 0.276 1378 N C 0.522 176.028 175.510 -0.007 0.000 1.295 1378 N CA 1.664 54.707 53.050 -0.011 0.000 0.818 1378 N CB 0.036 38.517 38.487 -0.010 0.000 1.049 1378 N HN 0.648 nan 8.380 nan 0.000 0.484 1379 N N 0.364 119.059 118.700 -0.008 0.000 2.920 1379 N HA -0.226 4.514 4.740 -0.000 0.000 0.199 1379 N C -1.287 174.231 175.510 0.014 0.000 0.997 1379 N CA 1.482 54.535 53.050 0.005 0.000 1.034 1379 N CB -1.079 37.414 38.487 0.010 0.000 0.977 1379 N HN 0.485 nan 8.380 nan 0.000 0.579 1380 L N 2.353 123.576 121.223 0.000 0.000 2.316 1380 L HA 0.497 4.837 4.340 -0.000 0.000 0.280 1380 L C -0.250 176.597 176.870 -0.038 0.000 1.006 1380 L CA -0.433 54.407 54.840 0.000 0.000 0.836 1380 L CB 1.141 43.208 42.059 0.013 0.000 1.221 1380 L HN 0.222 nan 8.230 nan 0.000 0.418 1381 Q N 4.045 123.790 119.800 -0.092 0.000 2.256 1381 Q HA 0.721 5.061 4.340 -0.000 0.000 0.257 1381 Q C -1.548 174.399 176.000 -0.088 0.000 0.936 1381 Q CA -0.977 54.726 55.803 -0.167 0.000 0.903 1381 Q CB 2.264 30.784 28.738 -0.364 0.000 1.263 1381 Q HN 0.469 nan 8.270 nan 0.000 0.440 1382 V N 2.456 122.352 119.914 -0.031 0.000 2.409 1382 V HA 0.371 4.491 4.120 -0.000 0.000 0.291 1382 V C -0.522 175.608 176.094 0.060 0.000 1.020 1382 V CA -0.614 61.710 62.300 0.040 0.000 0.848 1382 V CB 1.590 33.426 31.823 0.022 0.000 0.990 1382 V HN 0.875 nan 8.190 nan 0.000 0.430 1383 S N 5.097 120.862 115.700 0.109 0.000 2.451 1383 S HA 0.685 5.155 4.470 -0.000 0.000 0.301 1383 S C -0.286 174.345 174.600 0.053 0.000 1.116 1383 S CA -0.771 57.485 58.200 0.093 0.000 1.093 1383 S CB 1.092 64.369 63.200 0.127 0.000 1.017 1383 S HN 0.712 nan 8.310 nan 0.000 0.482 1384 R N 1.860 122.405 120.500 0.075 0.000 2.534 1384 R HA 0.635 4.975 4.340 -0.000 0.000 0.301 1384 R C -0.814 175.554 176.300 0.112 0.000 0.961 1384 R CA -0.724 55.431 56.100 0.092 0.000 0.871 1384 R CB 1.013 31.351 30.300 0.063 0.000 1.170 1384 R HN 0.601 nan 8.270 nan 0.000 0.446 1385 I N -2.198 118.463 120.570 0.151 0.000 2.693 1385 I HA 0.477 4.647 4.170 -0.000 0.000 0.303 1385 I C -0.658 175.480 176.117 0.034 0.000 1.025 1385 I CA -0.913 60.448 61.300 0.100 0.000 1.086 1385 I CB 1.894 39.964 38.000 0.117 0.000 1.268 1385 I HN 0.378 nan 8.210 nan 0.000 0.440 1386 D N 6.237 126.641 120.400 0.007 0.000 2.347 1386 D HA 0.377 5.017 4.640 -0.000 0.000 0.235 1386 D C -1.584 174.655 176.300 -0.102 0.000 1.149 1386 D CA -2.209 51.778 54.000 -0.023 0.000 0.850 1386 D CB 1.399 42.221 40.800 0.038 0.000 1.061 1386 D HN 0.391 nan 8.370 nan 0.000 0.487 1387 P HA -0.231 nan 4.420 nan 0.000 0.215 1387 P C 0.708 177.850 177.300 -0.263 0.000 1.157 1387 P CA 1.586 64.510 63.100 -0.295 0.000 0.874 1387 P CB 0.087 31.554 31.700 -0.389 0.000 0.790 1388 H N -0.092 118.967 119.070 -0.018 0.000 2.352 1388 H HA -0.113 4.443 4.556 -0.000 0.000 0.299 1388 H C 2.413 177.737 175.328 -0.007 0.000 1.097 1388 H CA 1.630 57.670 56.048 -0.012 0.000 1.311 1388 H CB -0.686 29.071 29.762 -0.008 0.000 1.377 1388 H HN 0.261 nan 8.280 nan 0.000 0.504 1389 E N 0.645 120.900 120.200 0.091 0.000 2.038 1389 E HA -0.211 4.139 4.350 -0.000 0.000 0.195 1389 E C 1.898 178.513 176.600 0.026 0.000 1.000 1389 E CA 1.252 57.684 56.400 0.054 0.000 0.803 1389 E CB 0.195 29.920 29.700 0.040 0.000 0.750 1389 E HN 0.411 nan 8.360 nan 0.000 0.448 1390 E N 0.005 120.199 120.200 -0.011 0.000 2.058 1390 E HA -0.166 4.184 4.350 -0.000 0.000 0.194 1390 E C 2.259 178.870 176.600 0.018 0.000 0.997 1390 E CA 1.664 58.050 56.400 -0.024 0.000 0.801 1390 E CB -0.812 28.832 29.700 -0.094 0.000 0.746 1390 E HN 0.305 nan 8.360 nan 0.000 0.450 1391 T N 1.858 116.416 114.554 0.008 0.000 2.737 1391 T HA -0.147 4.203 4.350 -0.000 0.000 0.269 1391 T C 1.623 176.380 174.700 0.094 0.000 1.040 1391 T CA 1.304 63.436 62.100 0.053 0.000 1.142 1391 T CB -0.015 68.868 68.868 0.025 0.000 0.861 1391 T HN 0.069 nan 8.240 nan 0.000 0.456 1392 E N 0.731 120.972 120.200 0.069 0.000 2.112 1392 E HA 0.006 4.356 4.350 -0.000 0.000 0.190 1392 E C 2.332 178.968 176.600 0.059 0.000 0.979 1392 E CA 0.437 56.871 56.400 0.056 0.000 0.814 1392 E CB -0.246 29.480 29.700 0.043 0.000 0.762 1392 E HN 0.413 nan 8.360 nan 0.000 0.460 1393 R N -0.109 120.431 120.500 0.066 0.000 2.097 1393 R HA -0.228 4.112 4.340 -0.000 0.000 0.236 1393 R C 2.332 178.700 176.300 0.113 0.000 1.135 1393 R CA 1.713 57.853 56.100 0.067 0.000 0.934 1393 R CB -0.599 29.732 30.300 0.050 0.000 0.846 1393 R HN 0.168 nan 8.270 nan 0.000 0.431 1394 Y N 1.272 121.576 120.300 0.007 0.000 2.070 1394 Y HA -0.218 4.332 4.550 -0.000 0.000 0.280 1394 Y C 2.487 178.423 175.900 0.060 0.000 1.148 1394 Y CA 2.033 60.155 58.100 0.037 0.000 1.125 1394 Y CB -0.338 38.123 38.460 0.001 0.000 0.975 1394 Y HN 0.060 nan 8.280 nan 0.000 0.492 1395 R N -0.144 120.362 120.500 0.010 0.000 2.113 1395 R HA -0.295 4.045 4.340 -0.000 0.000 0.244 1395 R C 2.445 178.675 176.300 -0.116 0.000 1.142 1395 R CA 2.095 58.141 56.100 -0.090 0.000 0.953 1395 R CB -0.582 29.716 30.300 -0.003 0.000 0.860 1395 R HN 0.527 nan 8.270 nan 0.000 0.438 1396 Q N -0.277 119.496 119.800 -0.044 0.000 2.135 1396 Q HA -0.251 4.089 4.340 -0.000 0.000 0.204 1396 Q C 1.979 177.949 176.000 -0.049 0.000 0.981 1396 Q CA 1.940 57.721 55.803 -0.037 0.000 0.856 1396 Q CB -0.072 28.666 28.738 0.000 0.000 0.902 1396 Q HN 0.460 nan 8.270 nan 0.000 0.425 1397 H N -0.359 118.623 119.070 -0.146 0.000 2.326 1397 H HA -0.090 4.466 4.556 -0.000 0.000 0.301 1397 H C 1.811 177.014 175.328 -0.209 0.000 1.081 1397 H CA 1.788 57.743 56.048 -0.155 0.000 1.334 1397 H CB -0.247 29.430 29.762 -0.142 0.000 1.385 1397 H HN 0.159 nan 8.280 nan 0.000 0.504 1398 V N 0.246 119.872 119.914 -0.479 0.000 3.041 1398 V HA -0.049 4.071 4.120 -0.000 0.000 0.260 1398 V C 1.906 177.809 176.094 -0.319 0.000 1.105 1398 V CA 0.938 62.939 62.300 -0.498 0.000 1.125 1398 V CB -0.588 30.938 31.823 -0.494 0.000 0.730 1398 V HN 0.398 nan 8.190 nan 0.000 0.479 1399 L N 1.304 122.382 121.223 -0.240 0.000 2.156 1399 L HA -0.053 4.287 4.340 -0.000 0.000 0.208 1399 L C 2.604 179.386 176.870 -0.146 0.000 1.095 1399 L CA 2.609 57.352 54.840 -0.160 0.000 0.770 1399 L CB -0.975 41.016 42.059 -0.112 0.000 0.914 1399 L HN 0.785 nan 8.230 nan 0.000 0.439 1400 E N -2.289 117.814 120.200 -0.162 0.000 2.140 1400 E HA -0.140 4.210 4.350 -0.000 0.000 0.191 1400 E C 2.040 178.551 176.600 -0.148 0.000 0.973 1400 E CA 1.245 57.568 56.400 -0.128 0.000 0.829 1400 E CB -0.423 29.218 29.700 -0.098 0.000 0.781 1400 E HN 0.202 nan 8.360 nan 0.000 0.466 1401 T N 0.515 114.934 114.554 -0.224 0.000 2.668 1401 T HA -0.072 4.278 4.350 -0.000 0.000 0.262 1401 T C 1.633 176.234 174.700 -0.166 0.000 1.045 1401 T CA 1.542 63.517 62.100 -0.209 0.000 1.152 1401 T CB -0.144 68.537 68.868 -0.311 0.000 0.864 1401 T HN 0.116 nan 8.240 nan 0.000 0.419 1402 K N 0.186 120.475 120.400 -0.185 0.000 2.487 1402 K HA 0.198 4.518 4.320 -0.000 0.000 0.192 1402 K C 1.857 178.380 176.600 -0.128 0.000 1.027 1402 K CA 0.476 56.673 56.287 -0.151 0.000 1.054 1402 K CB 0.182 32.587 32.500 -0.158 0.000 0.824 1402 K HN 0.442 nan 8.250 nan 0.000 0.510 1403 G N 0.825 109.553 108.800 -0.120 0.000 2.939 1403 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.216 1403 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.216 1403 G C 0.179 175.034 174.900 -0.075 0.000 1.125 1403 G CA -0.276 44.767 45.100 -0.095 0.000 0.766 1403 G HN 0.005 nan 8.290 nan 0.000 0.541 1404 K N 1.457 121.812 120.400 -0.074 0.000 2.484 1404 K HA 0.157 4.477 4.320 -0.000 0.000 0.280 1404 K C 0.585 177.156 176.600 -0.048 0.000 1.013 1404 K CA 0.016 56.270 56.287 -0.056 0.000 1.029 1404 K CB 0.177 32.645 32.500 -0.053 0.000 0.902 1404 K HN 0.361 nan 8.250 nan 0.000 0.481 1405 E N 1.563 121.740 120.200 -0.037 0.000 2.452 1405 E HA -0.243 4.107 4.350 -0.000 0.000 0.155 1405 E C -1.596 174.985 176.600 -0.032 0.000 1.746 1405 E CA 0.263 56.646 56.400 -0.029 0.000 0.636 1405 E CB -0.616 29.070 29.700 -0.023 0.000 1.069 1405 E HN 0.310 nan 8.360 nan 0.000 0.335 1406 L N 3.262 124.466 121.223 -0.031 0.000 2.482 1406 L HA 0.375 4.715 4.340 -0.000 0.000 0.263 1406 L C -0.791 176.066 176.870 -0.022 0.000 0.957 1406 L CA -0.502 54.319 54.840 -0.032 0.000 0.836 1406 L CB 1.564 43.594 42.059 -0.049 0.000 1.324 1406 L HN 0.402 nan 8.230 nan 0.000 0.406 1407 D N 2.400 122.793 120.400 -0.011 0.000 2.371 1407 D HA 0.046 4.686 4.640 -0.000 0.000 0.242 1407 D C 0.629 176.923 176.300 -0.010 0.000 1.218 1407 D CA -0.074 53.922 54.000 -0.006 0.000 0.945 1407 D CB 0.732 41.535 40.800 0.004 0.000 1.137 1407 D HN 0.489 nan 8.370 nan 0.000 0.464 1408 E N 0.306 120.502 120.200 -0.007 0.000 2.219 1408 E HA -0.197 4.153 4.350 -0.000 0.000 0.198 1408 E C 1.823 178.418 176.600 -0.008 0.000 0.998 1408 E CA 1.517 57.911 56.400 -0.009 0.000 0.818 1408 E CB -0.506 29.191 29.700 -0.005 0.000 0.741 1408 E HN 0.647 nan 8.360 nan 0.000 0.477 1409 A N 0.468 123.287 122.820 -0.002 0.000 1.970 1409 A HA 0.056 4.376 4.320 -0.000 0.000 0.216 1409 A C 2.413 179.988 177.584 -0.015 0.000 1.170 1409 A CA 1.423 53.460 52.037 -0.001 0.000 0.645 1409 A CB -0.569 18.440 19.000 0.016 0.000 0.816 1409 A HN 0.318 nan 8.150 nan 0.000 0.447 1410 G N -0.176 108.613 108.800 -0.018 0.000 2.394 1410 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.215 1410 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.215 1410 G C 1.630 176.503 174.900 -0.044 0.000 1.165 1410 G CA 0.914 45.994 45.100 -0.033 0.000 0.784 1410 G HN 0.521 nan 8.290 nan 0.000 0.535 1411 K N 0.094 120.471 120.400 -0.038 0.000 2.074 1411 K HA -0.069 4.251 4.320 -0.000 0.000 0.209 1411 K C 2.700 179.275 176.600 -0.040 0.000 1.048 1411 K CA 1.015 57.276 56.287 -0.043 0.000 0.926 1411 K CB -0.108 32.370 32.500 -0.037 0.000 0.713 1411 K HN 0.101 nan 8.250 nan 0.000 0.444 1412 R N 0.425 120.906 120.500 -0.032 0.000 2.148 1412 R HA -0.094 4.246 4.340 -0.000 0.000 0.227 1412 R C 2.286 178.563 176.300 -0.039 0.000 1.103 1412 R CA 0.702 56.785 56.100 -0.029 0.000 0.983 1412 R CB -0.380 29.908 30.300 -0.021 0.000 0.874 1412 R HN 0.173 nan 8.270 nan 0.000 0.451 1413 L N 0.954 122.146 121.223 -0.051 0.000 2.109 1413 L HA -0.055 4.285 4.340 -0.000 0.000 0.207 1413 L C 2.043 178.877 176.870 -0.061 0.000 1.086 1413 L CA 1.414 56.212 54.840 -0.070 0.000 0.760 1413 L CB -0.459 41.546 42.059 -0.090 0.000 0.910 1413 L HN 0.108 nan 8.230 nan 0.000 0.437 1414 L N -0.784 120.404 121.223 -0.059 0.000 2.093 1414 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 1414 L C 2.344 179.188 176.870 -0.043 0.000 1.085 1414 L CA 1.523 56.327 54.840 -0.059 0.000 0.755 1414 L CB -0.218 41.796 42.059 -0.075 0.000 0.904 1414 L HN 0.429 nan 8.230 nan 0.000 0.435 1415 E N -0.438 119.739 120.200 -0.038 0.000 2.150 1415 E HA -0.280 4.070 4.350 -0.000 0.000 0.193 1415 E C 1.854 178.451 176.600 -0.006 0.000 0.985 1415 E CA 1.075 57.459 56.400 -0.027 0.000 0.814 1415 E CB 0.111 29.796 29.700 -0.026 0.000 0.752 1415 E HN 0.330 nan 8.360 nan 0.000 0.466 1416 E N 1.330 121.532 120.200 0.003 0.000 2.152 1416 E HA -0.183 4.167 4.350 -0.000 0.000 0.192 1416 E C 1.482 178.155 176.600 0.122 0.000 0.983 1416 E CA 1.189 57.619 56.400 0.050 0.000 0.818 1416 E CB -0.117 29.594 29.700 0.020 0.000 0.758 1416 E HN 0.106 nan 8.360 nan 0.000 0.467 1417 D N -0.510 119.932 120.400 0.071 0.000 2.178 1417 D HA -0.098 4.542 4.640 -0.000 0.000 0.201 1417 D C 1.329 177.659 176.300 0.050 0.000 0.980 1417 D CA 0.813 54.868 54.000 0.092 0.000 0.842 1417 D CB 0.012 40.824 40.800 0.021 0.000 0.948 1417 D HN 0.268 nan 8.370 nan 0.000 0.472 1418 L N -0.483 120.749 121.223 0.015 0.000 2.627 1418 L HA 0.204 4.544 4.340 -0.000 0.000 0.232 1418 L C 1.517 178.379 176.870 -0.013 0.000 1.150 1418 L CA 0.040 54.884 54.840 0.008 0.000 0.917 1418 L CB 0.072 42.124 42.059 -0.012 0.000 1.104 1418 L HN -0.126 nan 8.230 nan 0.000 0.445 1419 R N -1.031 119.440 120.500 -0.049 0.000 2.509 1419 R HA 0.176 4.516 4.340 -0.000 0.000 0.300 1419 R C 0.644 176.739 176.300 -0.342 0.000 0.985 1419 R CA -0.052 55.983 56.100 -0.109 0.000 1.092 1419 R CB 0.524 30.800 30.300 -0.040 0.000 1.237 1419 R HN -0.003 nan 8.270 nan 0.000 0.546 1420 S N 0.352 115.841 115.700 -0.353 0.000 2.592 1420 S HA 0.179 4.649 4.470 -0.000 0.000 0.271 1420 S C -1.662 172.774 174.600 -0.273 0.000 1.326 1420 S CA -1.564 56.326 58.200 -0.516 0.000 1.024 1420 S CB 1.060 64.176 63.200 -0.139 0.000 0.921 1420 S HN 0.031 nan 8.310 nan 0.000 0.527 1421 P HA -0.091 nan 4.420 nan 0.000 0.215 1421 P C 1.615 178.863 177.300 -0.086 0.000 1.153 1421 P CA 1.240 64.267 63.100 -0.122 0.000 0.853 1421 P CB -0.259 31.395 31.700 -0.076 0.000 0.788 1422 C N -3.016 116.247 119.300 -0.061 0.000 2.437 1422 C HA -0.034 4.426 4.460 -0.000 0.000 0.283 1422 C C 2.389 177.338 174.990 -0.067 0.000 1.424 1422 C CA 0.940 59.926 59.018 -0.053 0.000 1.782 1422 C CB -2.149 25.583 27.740 -0.014 0.000 1.833 1422 C HN 0.186 nan 8.230 nan 0.000 0.532 1423 T N 1.137 115.664 114.554 -0.044 0.000 2.708 1423 T HA -0.221 4.129 4.350 -0.000 0.000 0.266 1423 T C 1.793 176.451 174.700 -0.070 0.000 1.037 1423 T CA 2.154 64.254 62.100 -0.000 0.000 1.146 1423 T CB -0.395 68.502 68.868 0.049 0.000 0.865 1423 T HN 0.803 nan 8.240 nan 0.000 0.435 1424 E N 0.701 120.852 120.200 -0.081 0.000 2.208 1424 E HA -0.135 4.215 4.350 -0.000 0.000 0.193 1424 E C 1.997 178.503 176.600 -0.157 0.000 0.988 1424 E CA 0.799 57.133 56.400 -0.109 0.000 0.828 1424 E CB 0.053 29.695 29.700 -0.097 0.000 0.763 1424 E HN 0.567 nan 8.360 nan 0.000 0.478 1425 E N 0.280 120.392 120.200 -0.145 0.000 2.106 1425 E HA -0.133 4.217 4.350 -0.000 0.000 0.192 1425 E C 2.063 178.561 176.600 -0.171 0.000 0.984 1425 E CA 0.945 57.254 56.400 -0.152 0.000 0.806 1425 E CB 0.054 29.675 29.700 -0.132 0.000 0.750 1425 E HN 0.346 nan 8.360 nan 0.000 0.458 1426 I N 0.914 121.351 120.570 -0.223 0.000 2.202 1426 I HA -0.255 3.915 4.170 -0.000 0.000 0.242 1426 I C 2.508 178.390 176.117 -0.392 0.000 1.091 1426 I CA 0.905 62.026 61.300 -0.297 0.000 1.368 1426 I CB -0.296 37.419 38.000 -0.475 0.000 1.058 1426 I HN 0.102 nan 8.210 nan 0.000 0.410 1427 A N 0.423 122.961 122.820 -0.472 0.000 1.877 1427 A HA -0.164 4.156 4.320 -0.000 0.000 0.216 1427 A C 2.439 179.843 177.584 -0.301 0.000 1.186 1427 A CA 1.804 53.614 52.037 -0.378 0.000 0.620 1427 A CB -1.015 17.859 19.000 -0.210 0.000 0.822 1427 A HN 0.235 nan 8.150 nan 0.000 0.443 1428 V N -1.311 118.418 119.914 -0.308 0.000 2.343 1428 V HA -0.247 3.873 4.120 -0.000 0.000 0.247 1428 V C 2.285 177.998 176.094 -0.636 0.000 1.051 1428 V CA 2.124 64.143 62.300 -0.468 0.000 1.036 1428 V CB -0.850 30.721 31.823 -0.420 0.000 0.654 1428 V HN 0.661 nan 8.190 nan 0.000 0.451 1429 F N 0.552 120.198 119.950 -0.507 0.000 2.171 1429 F HA -0.239 4.288 4.527 -0.000 0.000 0.300 1429 F C 2.578 178.224 175.800 -0.257 0.000 1.090 1429 F CA 1.784 59.568 58.000 -0.360 0.000 1.293 1429 F CB -0.022 38.846 39.000 -0.221 0.000 1.013 1429 F HN 0.178 nan 8.300 nan 0.000 0.486 1430 Q N 0.160 119.742 119.800 -0.364 0.000 2.119 1430 Q HA -0.144 4.196 4.340 -0.000 0.000 0.201 1430 Q C 2.494 178.324 176.000 -0.283 0.000 0.972 1430 Q CA 1.143 56.730 55.803 -0.360 0.000 0.847 1430 Q CB -0.456 28.138 28.738 -0.241 0.000 0.903 1430 Q HN 0.547 nan 8.270 nan 0.000 0.433 1431 A N 0.719 123.374 122.820 -0.274 0.000 1.978 1431 A HA -0.141 4.179 4.320 -0.000 0.000 0.220 1431 A C 1.779 179.366 177.584 0.006 0.000 1.170 1431 A CA 1.063 53.005 52.037 -0.158 0.000 0.636 1431 A CB -0.813 18.069 19.000 -0.197 0.000 0.810 1431 A HN 0.375 nan 8.150 nan 0.000 0.448 1432 F N -0.133 119.694 119.950 -0.205 0.000 2.456 1432 F HA -0.105 4.422 4.527 -0.000 0.000 0.298 1432 F C 2.606 178.252 175.800 -0.257 0.000 1.104 1432 F CA 0.327 58.199 58.000 -0.212 0.000 1.435 1432 F CB -0.095 38.793 39.000 -0.188 0.000 1.078 1432 F HN 0.163 nan 8.300 nan 0.000 0.546 1433 S N 0.462 116.072 115.700 -0.150 0.000 2.400 1433 S HA -0.319 4.151 4.470 -0.000 0.000 0.234 1433 S C 2.048 176.576 174.600 -0.119 0.000 1.049 1433 S CA 1.580 59.658 58.200 -0.203 0.000 1.039 1433 S CB -0.523 62.532 63.200 -0.242 0.000 0.856 1433 S HN 0.399 nan 8.310 nan 0.000 0.465 1434 R N 1.031 121.483 120.500 -0.080 0.000 2.081 1434 R HA -0.104 4.236 4.340 -0.000 0.000 0.235 1434 R C 2.241 178.497 176.300 -0.073 0.000 1.131 1434 R CA 1.893 57.957 56.100 -0.061 0.000 0.960 1434 R CB -0.353 29.927 30.300 -0.034 0.000 0.856 1434 R HN 0.482 nan 8.270 nan 0.000 0.436 1435 V N -1.900 117.949 119.914 -0.110 0.000 3.235 1435 V HA 0.039 4.159 4.120 -0.000 0.000 0.259 1435 V C 2.064 178.047 176.094 -0.185 0.000 1.133 1435 V CA 0.814 63.000 62.300 -0.190 0.000 1.128 1435 V CB -0.329 31.230 31.823 -0.439 0.000 0.757 1435 V HN 0.214 nan 8.190 nan 0.000 0.469 1436 I N 0.577 121.060 120.570 -0.146 0.000 2.361 1436 I HA -0.161 4.009 4.170 -0.000 0.000 0.251 1436 I C 2.883 178.944 176.117 -0.094 0.000 1.133 1436 I CA 1.565 62.797 61.300 -0.113 0.000 1.413 1436 I CB -0.342 37.602 38.000 -0.093 0.000 1.073 1436 I HN 0.255 nan 8.210 nan 0.000 0.424 1437 R N 0.737 121.183 120.500 -0.089 0.000 2.293 1437 R HA -0.127 4.213 4.340 -0.000 0.000 0.219 1437 R C 1.419 177.669 176.300 -0.083 0.000 1.091 1437 R CA 0.733 56.785 56.100 -0.079 0.000 1.004 1437 R CB -0.221 30.038 30.300 -0.068 0.000 0.865 1437 R HN 0.509 nan 8.270 nan 0.000 0.469 1438 E N 0.306 120.458 120.200 -0.080 0.000 2.489 1438 E HA 0.027 4.377 4.350 -0.000 0.000 0.193 1438 E C 1.313 177.855 176.600 -0.096 0.000 1.057 1438 E CA 0.133 56.493 56.400 -0.065 0.000 0.866 1438 E CB 0.345 30.044 29.700 -0.002 0.000 0.916 1438 E HN 0.279 nan 8.360 nan 0.000 0.500 1439 A N 0.873 123.628 122.820 -0.108 0.000 2.248 1439 A HA 0.005 4.324 4.320 -0.000 0.000 0.210 1439 A C 1.992 179.445 177.584 -0.217 0.000 1.174 1439 A CA 1.048 53.014 52.037 -0.118 0.000 0.750 1439 A CB -0.327 18.627 19.000 -0.077 0.000 0.780 1439 A HN 0.299 nan 8.150 nan 0.000 0.478 1440 G N -1.246 107.378 108.800 -0.293 0.000 2.986 1440 G HA2 0.206 4.166 3.960 -0.000 0.000 0.213 1440 G HA3 0.206 4.166 3.960 -0.000 0.000 0.213 1440 G C 1.145 175.577 174.900 -0.780 0.000 1.156 1440 G CA 0.271 45.044 45.100 -0.546 0.000 0.763 1440 G HN 0.468 nan 8.290 nan 0.000 0.547 1441 K N -0.550 119.604 120.400 -0.410 0.000 2.425 1441 K HA 0.296 4.616 4.320 -0.000 0.000 0.201 1441 K C 0.846 177.381 176.600 -0.107 0.000 1.128 1441 K CA -0.012 56.136 56.287 -0.231 0.000 1.000 1441 K CB 0.785 33.211 32.500 -0.123 0.000 0.961 1441 K HN 0.472 nan 8.250 nan 0.000 0.555 1442 R N -1.389 119.034 120.500 -0.128 0.000 2.826 1442 R HA 0.383 4.723 4.340 -0.000 0.000 0.269 1442 R C -1.352 174.830 176.300 -0.197 0.000 1.031 1442 R CA -0.891 55.137 56.100 -0.121 0.000 0.900 1442 R CB 0.212 30.530 30.300 0.030 0.000 1.318 1442 R HN -0.217 nan 8.270 nan 0.000 0.447 1443 F N 0.883 120.874 119.950 0.068 0.000 2.438 1443 F HA 0.385 4.912 4.527 -0.000 0.000 0.356 1443 F C 0.141 175.947 175.800 0.009 0.000 1.099 1443 F CA -0.477 57.533 58.000 0.017 0.000 1.185 1443 F CB 1.670 40.659 39.000 -0.018 0.000 1.115 1443 F HN 0.052 nan 8.300 nan 0.000 0.526 1444 V N 5.131 125.115 119.914 0.117 0.000 2.370 1444 V HA 0.409 4.529 4.120 -0.000 0.000 0.283 1444 V C -0.365 175.730 176.094 0.002 0.000 1.023 1444 V CA -0.743 61.563 62.300 0.010 0.000 0.857 1444 V CB 1.561 33.333 31.823 -0.085 0.000 0.985 1444 V HN 0.477 nan 8.190 nan 0.000 0.443 1445 V N 6.568 126.467 119.914 -0.025 0.000 2.417 1445 V HA 0.541 4.661 4.120 -0.000 0.000 0.291 1445 V C -0.029 176.012 176.094 -0.088 0.000 1.024 1445 V CA -0.419 61.861 62.300 -0.032 0.000 0.861 1445 V CB 1.642 33.459 31.823 -0.010 0.000 0.985 1445 V HN 0.803 nan 8.190 nan 0.000 0.436 1446 M N 3.754 123.324 119.600 -0.050 0.000 2.528 1446 M HA 0.436 4.916 4.480 -0.000 0.000 0.321 1446 M C -0.201 176.121 176.300 0.037 0.000 1.153 1446 M CA -0.650 54.636 55.300 -0.023 0.000 0.951 1446 M CB 2.171 34.812 32.600 0.068 0.000 1.705 1446 M HN 0.802 nan 8.290 nan 0.000 0.451 1447 D N -0.114 120.332 120.400 0.077 0.000 2.424 1447 D HA 0.156 4.796 4.640 -0.000 0.000 0.220 1447 D C -0.113 176.231 176.300 0.073 0.000 1.150 1447 D CA 0.067 54.105 54.000 0.063 0.000 0.831 1447 D CB 0.512 41.343 40.800 0.051 0.000 0.981 1447 D HN 0.507 nan 8.370 nan 0.000 0.500 1448 T N -1.332 113.287 114.554 0.109 0.000 2.770 1448 T HA 0.618 4.968 4.350 -0.000 0.000 0.323 1448 T C -2.285 172.453 174.700 0.063 0.000 1.683 1448 T CA -0.101 62.034 62.100 0.058 0.000 1.024 1448 T CB 1.199 70.091 68.868 0.040 0.000 1.557 1448 T HN 0.363 nan 8.240 nan 0.000 0.494 1449 A N 2.797 125.593 122.820 -0.039 0.000 2.582 1449 A HA 0.764 5.084 4.320 -0.000 0.000 0.297 1449 A C -3.227 174.217 177.584 -0.234 0.000 1.059 1449 A CA -1.083 50.865 52.037 -0.148 0.000 0.705 1449 A CB 0.826 19.735 19.000 -0.153 0.000 1.279 1449 A HN 0.621 nan 8.150 nan 0.000 0.404 1450 P HA 0.335 nan 4.420 nan 0.000 0.271 1450 P C 0.540 177.692 177.300 -0.245 0.000 1.244 1450 P CA 0.116 63.033 63.100 -0.305 0.000 0.793 1450 P CB 0.334 31.796 31.700 -0.397 0.000 0.984 1451 T N -2.733 111.724 114.554 -0.162 0.000 2.813 1451 T HA 0.252 4.602 4.350 -0.000 0.000 0.297 1451 T C 1.676 176.309 174.700 -0.111 0.000 1.036 1451 T CA -0.039 61.998 62.100 -0.105 0.000 1.044 1451 T CB 0.380 69.233 68.868 -0.025 0.000 0.993 1451 T HN 0.459 nan 8.240 nan 0.000 0.535 1452 G N 0.155 108.912 108.800 -0.071 0.000 2.440 1452 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.218 1452 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.218 1452 G C 1.336 176.217 174.900 -0.030 0.000 1.154 1452 G CA 1.374 46.437 45.100 -0.062 0.000 0.767 1452 G HN 1.067 nan 8.290 nan 0.000 0.552 1453 H N 0.945 119.975 119.070 -0.067 0.000 2.289 1453 H HA -0.098 4.458 4.556 -0.000 0.000 0.296 1453 H C 2.581 177.878 175.328 -0.052 0.000 1.091 1453 H CA 2.480 58.499 56.048 -0.048 0.000 1.274 1453 H CB -0.668 29.070 29.762 -0.041 0.000 1.364 1453 H HN 0.241 nan 8.280 nan 0.000 0.490 1454 T N 1.398 115.746 114.554 -0.343 0.000 2.746 1454 T HA -0.101 4.249 4.350 -0.000 0.000 0.267 1454 T C 2.003 176.551 174.700 -0.254 0.000 1.039 1454 T CA 1.184 63.059 62.100 -0.374 0.000 1.142 1454 T CB -0.233 68.499 68.868 -0.226 0.000 0.866 1454 T HN 0.121 nan 8.240 nan 0.000 0.444 1455 L N 0.734 121.833 121.223 -0.206 0.000 2.131 1455 L HA 0.073 4.413 4.340 -0.000 0.000 0.210 1455 L C 2.299 179.110 176.870 -0.099 0.000 1.092 1455 L CA 1.284 56.031 54.840 -0.155 0.000 0.759 1455 L CB -1.403 40.557 42.059 -0.165 0.000 0.903 1455 L HN 0.317 nan 8.230 nan 0.000 0.435 1456 L N -1.781 119.379 121.223 -0.105 0.000 2.093 1456 L HA -0.220 4.120 4.340 -0.000 0.000 0.208 1456 L C 2.399 179.225 176.870 -0.074 0.000 1.085 1456 L CA 0.444 55.246 54.840 -0.063 0.000 0.755 1456 L CB -0.378 41.661 42.059 -0.033 0.000 0.904 1456 L HN 0.219 nan 8.230 nan 0.000 0.435 1457 L N -0.434 120.701 121.223 -0.147 0.000 2.027 1457 L HA -0.162 4.178 4.340 -0.000 0.000 0.206 1457 L C 2.336 179.171 176.870 -0.059 0.000 1.074 1457 L CA 1.686 56.452 54.840 -0.123 0.000 0.745 1457 L CB -0.615 41.308 42.059 -0.227 0.000 0.898 1457 L HN 0.115 nan 8.230 nan 0.000 0.433 1458 L N -0.785 120.404 121.223 -0.057 0.000 2.127 1458 L HA -0.236 4.104 4.340 -0.000 0.000 0.211 1458 L C 1.976 178.854 176.870 0.014 0.000 1.089 1458 L CA 1.515 56.355 54.840 -0.000 0.000 0.757 1458 L CB -0.554 41.518 42.059 0.022 0.000 0.899 1458 L HN 0.311 nan 8.230 nan 0.000 0.434 1459 D N 0.328 120.729 120.400 0.002 0.000 2.348 1459 D HA -0.066 4.574 4.640 -0.000 0.000 0.216 1459 D C 1.449 177.755 176.300 0.010 0.000 0.970 1459 D CA 0.500 54.507 54.000 0.011 0.000 0.889 1459 D CB 0.195 40.999 40.800 0.007 0.000 0.912 1459 D HN 0.218 nan 8.370 nan 0.000 0.524 1460 A N 0.143 122.966 122.820 0.004 0.000 2.810 1460 A HA 0.379 4.699 4.320 -0.000 0.000 0.247 1460 A C 0.023 177.615 177.584 0.013 0.000 1.576 1460 A CA 0.032 52.074 52.037 0.008 0.000 1.294 1460 A CB -0.515 18.487 19.000 0.004 0.000 0.976 1460 A HN 0.173 nan 8.150 nan 0.000 0.631 1480 T N 5.199 119.763 114.554 0.017 0.000 2.737 1480 T HA 0.430 4.780 4.350 -0.000 0.000 0.296 1480 T C -2.054 172.680 174.700 0.057 0.000 0.922 1480 T CA -1.401 60.738 62.100 0.064 0.000 1.079 1480 T CB 0.273 69.223 68.868 0.137 0.000 0.892 1480 T HN 0.274 nan 8.240 nan 0.000 0.514 1481 P HA 0.157 nan 4.420 nan 0.000 0.238 1481 P C 1.220 178.559 177.300 0.066 0.000 1.794 1481 P CA -0.500 62.625 63.100 0.043 0.000 1.088 1481 P CB 0.377 32.090 31.700 0.020 0.000 1.923 1482 M N 1.438 121.072 119.600 0.057 0.000 2.080 1482 M HA -0.127 4.353 4.480 -0.000 0.000 0.260 1482 M C 2.009 178.335 176.300 0.043 0.000 1.068 1482 M CA 1.856 57.186 55.300 0.049 0.000 1.109 1482 M CB -0.876 31.743 32.600 0.032 0.000 1.342 1482 M HN 0.263 nan 8.290 nan 0.000 0.405 1483 M N -0.497 119.124 119.600 0.036 0.000 2.089 1483 M HA -0.273 4.207 4.480 -0.000 0.000 0.257 1483 M C 2.225 178.546 176.300 0.036 0.000 1.071 1483 M CA 1.629 56.949 55.300 0.033 0.000 1.096 1483 M CB -1.048 31.567 32.600 0.025 0.000 1.330 1483 M HN 0.275 nan 8.290 nan 0.000 0.403 1484 L N 1.023 122.267 121.223 0.034 0.000 1.989 1484 L HA -0.177 4.163 4.340 -0.000 0.000 0.211 1484 L C 2.131 179.028 176.870 0.045 0.000 1.071 1484 L CA 1.860 56.720 54.840 0.033 0.000 0.749 1484 L CB -0.732 41.343 42.059 0.028 0.000 0.890 1484 L HN 0.255 nan 8.230 nan 0.000 0.431 1485 L N -0.962 120.296 121.223 0.059 0.000 2.265 1485 L HA -0.190 4.150 4.340 -0.000 0.000 0.215 1485 L C 2.402 179.302 176.870 0.049 0.000 1.117 1485 L CA 1.108 55.983 54.840 0.057 0.000 0.782 1485 L CB -0.546 41.548 42.059 0.059 0.000 0.914 1485 L HN 0.467 nan 8.230 nan 0.000 0.441 1486 Q N -1.200 118.631 119.800 0.052 0.000 2.408 1486 Q HA -0.017 4.323 4.340 -0.000 0.000 0.205 1486 Q C 0.383 176.433 176.000 0.084 0.000 0.919 1486 Q CA -0.026 55.818 55.803 0.069 0.000 0.932 1486 Q CB 0.232 29.008 28.738 0.063 0.000 1.058 1486 Q HN 0.227 nan 8.270 nan 0.000 0.517 1487 D N 1.651 122.089 120.400 0.063 0.000 2.383 1487 D HA 0.040 4.680 4.640 -0.000 0.000 0.245 1487 D C -1.855 174.482 176.300 0.062 0.000 1.263 1487 D CA -2.004 52.031 54.000 0.058 0.000 0.936 1487 D CB 1.172 41.996 40.800 0.039 0.000 1.053 1487 D HN -0.050 nan 8.370 nan 0.000 0.507 1488 P HA -0.183 nan 4.420 nan 0.000 0.218 1488 P C 0.967 178.301 177.300 0.056 0.000 1.147 1488 P CA 1.055 64.217 63.100 0.103 0.000 0.827 1488 P CB 0.511 32.285 31.700 0.125 0.000 0.778 1489 E N -0.644 119.581 120.200 0.041 0.000 2.016 1489 E HA -0.102 4.248 4.350 -0.000 0.000 0.190 1489 E C 2.036 178.630 176.600 -0.009 0.000 0.985 1489 E CA 1.188 57.598 56.400 0.017 0.000 0.802 1489 E CB -0.399 29.317 29.700 0.025 0.000 0.762 1489 E HN 0.122 nan 8.360 nan 0.000 0.448 1490 R N -0.727 119.778 120.500 0.008 0.000 2.189 1490 R HA 0.088 4.428 4.340 -0.000 0.000 0.218 1490 R C 0.054 176.347 176.300 -0.012 0.000 1.074 1490 R CA 1.019 57.121 56.100 0.004 0.000 0.991 1490 R CB 0.165 30.471 30.300 0.010 0.000 0.883 1490 R HN -0.002 nan 8.270 nan 0.000 0.457 1491 T N 0.651 115.197 114.554 -0.014 0.000 2.928 1491 T HA 0.344 4.694 4.350 -0.000 0.000 0.296 1491 T C -0.867 173.805 174.700 -0.046 0.000 1.000 1491 T CA -0.815 61.273 62.100 -0.019 0.000 0.989 1491 T CB 2.394 71.275 68.868 0.022 0.000 1.005 1491 T HN -0.079 nan 8.240 nan 0.000 0.442 1492 K N 2.274 122.611 120.400 -0.106 0.000 2.450 1492 K HA 0.612 4.932 4.320 -0.000 0.000 0.257 1492 K C -1.057 175.547 176.600 0.006 0.000 0.953 1492 K CA -0.734 55.467 56.287 -0.144 0.000 0.844 1492 K CB 2.183 34.323 32.500 -0.600 0.000 1.103 1492 K HN 0.300 nan 8.250 nan 0.000 0.429 1493 V N 5.414 125.402 119.914 0.124 0.000 2.370 1493 V HA 0.312 4.432 4.120 -0.000 0.000 0.279 1493 V C -0.300 175.892 176.094 0.164 0.000 1.029 1493 V CA -0.732 61.629 62.300 0.100 0.000 0.870 1493 V CB 0.947 32.810 31.823 0.066 0.000 0.984 1493 V HN 0.602 nan 8.190 nan 0.000 0.451 1494 L N 5.870 127.161 121.223 0.113 0.000 2.287 1494 L HA 0.478 4.818 4.340 -0.000 0.000 0.287 1494 L C -0.555 176.299 176.870 -0.025 0.000 1.022 1494 L CA -0.586 54.328 54.840 0.124 0.000 0.814 1494 L CB 1.571 43.720 42.059 0.150 0.000 1.217 1494 L HN 0.413 nan 8.230 nan 0.000 0.420 1495 L N 4.801 125.931 121.223 -0.156 0.000 2.276 1495 L HA 0.445 4.785 4.340 -0.000 0.000 0.286 1495 L C -0.274 176.391 176.870 -0.342 0.000 1.061 1495 L CA -0.019 54.581 54.840 -0.401 0.000 0.807 1495 L CB 1.617 43.131 42.059 -0.909 0.000 1.177 1495 L HN 0.214 nan 8.230 nan 0.000 0.429 1496 V N 4.207 123.977 119.914 -0.240 0.000 2.472 1496 V HA 0.768 4.888 4.120 -0.000 0.000 0.290 1496 V C 0.234 176.233 176.094 -0.158 0.000 1.037 1496 V CA -0.325 61.893 62.300 -0.138 0.000 0.908 1496 V CB 1.489 33.270 31.823 -0.069 0.000 0.985 1496 V HN 0.899 nan 8.190 nan 0.000 0.454 1497 T N 4.165 118.672 114.554 -0.078 0.000 2.645 1497 T HA 0.725 5.075 4.350 -0.000 0.000 0.300 1497 T C -1.628 173.084 174.700 0.021 0.000 1.210 1497 T CA -0.419 61.654 62.100 -0.045 0.000 1.034 1497 T CB 1.341 70.181 68.868 -0.047 0.000 1.537 1497 T HN 0.375 nan 8.240 nan 0.000 0.492 1498 L N 1.956 123.200 121.223 0.035 0.000 2.319 1498 L HA 0.592 4.932 4.340 -0.000 0.000 0.267 1498 L C -1.878 175.030 176.870 0.064 0.000 1.011 1498 L CA -2.396 52.470 54.840 0.043 0.000 0.818 1498 L CB 2.328 44.403 42.059 0.026 0.000 1.316 1498 L HN 0.483 nan 8.230 nan 0.000 0.432 1499 P HA 0.097 nan 4.420 nan 0.000 0.237 1499 P C -0.966 176.363 177.300 0.047 0.000 1.723 1499 P CA 0.150 63.285 63.100 0.057 0.000 0.882 1499 P CB -0.101 31.625 31.700 0.044 0.000 1.810 1500 E N -0.957 119.272 120.200 0.049 0.000 2.288 1500 E HA 0.201 4.551 4.350 -0.000 0.000 0.268 1500 E C 1.223 177.849 176.600 0.043 0.000 0.885 1500 E CA -0.692 55.731 56.400 0.038 0.000 0.767 1500 E CB 1.274 30.990 29.700 0.027 0.000 1.220 1500 E HN -0.060 nan 8.360 nan 0.000 0.427 1501 T N -0.761 113.814 114.554 0.036 0.000 2.544 1501 T HA -0.288 4.062 4.350 -0.000 0.000 0.264 1501 T C 1.765 176.486 174.700 0.035 0.000 1.096 1501 T CA 2.289 64.411 62.100 0.038 0.000 1.181 1501 T CB -0.873 68.011 68.868 0.026 0.000 0.864 1501 T HN 0.412 nan 8.240 nan 0.000 0.415 1502 T N 3.266 117.834 114.554 0.024 0.000 2.622 1502 T HA -0.032 4.318 4.350 -0.000 0.000 0.266 1502 T C -0.249 174.460 174.700 0.015 0.000 1.047 1502 T CA 1.926 64.037 62.100 0.019 0.000 1.159 1502 T CB -1.469 67.408 68.868 0.015 0.000 0.863 1502 T HN 0.395 nan 8.240 nan 0.000 0.422 1503 P HA -0.081 nan 4.420 nan 0.000 0.216 1503 P C 1.659 178.967 177.300 0.013 0.000 1.154 1503 P CA 0.706 63.809 63.100 0.006 0.000 0.865 1503 P CB -0.214 31.494 31.700 0.013 0.000 0.789 1504 V N -0.569 119.375 119.914 0.049 0.000 2.261 1504 V HA -0.236 3.884 4.120 -0.000 0.000 0.246 1504 V C 2.422 178.520 176.094 0.007 0.000 1.047 1504 V CA 1.790 64.141 62.300 0.085 0.000 1.015 1504 V CB -1.257 30.632 31.823 0.109 0.000 0.642 1504 V HN 0.067 nan 8.190 nan 0.000 0.446 1505 L N -0.052 121.172 121.223 0.002 0.000 2.042 1505 L HA -0.241 4.099 4.340 -0.000 0.000 0.210 1505 L C 2.480 179.338 176.870 -0.020 0.000 1.076 1505 L CA 2.101 56.936 54.840 -0.009 0.000 0.749 1505 L CB -0.460 41.609 42.059 0.017 0.000 0.893 1505 L HN 0.382 nan 8.230 nan 0.000 0.432 1506 E N -0.236 119.951 120.200 -0.022 0.000 2.077 1506 E HA -0.231 4.119 4.350 -0.000 0.000 0.193 1506 E C 2.211 178.763 176.600 -0.078 0.000 0.989 1506 E CA 1.106 57.483 56.400 -0.039 0.000 0.800 1506 E CB -0.315 29.363 29.700 -0.036 0.000 0.746 1506 E HN 0.712 nan 8.360 nan 0.000 0.452 1507 A N 1.552 124.302 122.820 -0.117 0.000 1.877 1507 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 1507 A C 2.411 179.895 177.584 -0.168 0.000 1.186 1507 A CA 1.743 53.615 52.037 -0.276 0.000 0.620 1507 A CB -0.687 18.019 19.000 -0.489 0.000 0.822 1507 A HN 0.297 nan 8.150 nan 0.000 0.443 1508 A N 0.069 122.905 122.820 0.027 0.000 1.940 1508 A HA -0.233 4.087 4.320 -0.000 0.000 0.219 1508 A C 1.908 179.529 177.584 0.062 0.000 1.176 1508 A CA 1.812 53.912 52.037 0.106 0.000 0.631 1508 A CB -0.875 18.028 19.000 -0.160 0.000 0.814 1508 A HN 0.738 nan 8.150 nan 0.000 0.446 1509 N N -0.541 118.162 118.700 0.006 0.000 2.039 1509 N HA -0.139 4.601 4.740 -0.000 0.000 0.193 1509 N C 1.489 176.993 175.510 -0.011 0.000 1.044 1509 N CA 1.247 54.300 53.050 0.003 0.000 0.847 1509 N CB -0.261 38.219 38.487 -0.012 0.000 1.030 1509 N HN 0.253 nan 8.380 nan 0.000 0.422 1510 L N 1.760 122.953 121.223 -0.050 0.000 2.064 1510 L HA -0.288 4.052 4.340 -0.000 0.000 0.216 1510 L C 2.489 179.326 176.870 -0.054 0.000 1.077 1510 L CA 1.661 56.458 54.840 -0.073 0.000 0.766 1510 L CB -0.992 40.987 42.059 -0.133 0.000 0.890 1510 L HN 0.324 nan 8.230 nan 0.000 0.435 1511 Q N -1.366 118.422 119.800 -0.021 0.000 2.046 1511 Q HA -0.166 4.174 4.340 -0.000 0.000 0.200 1511 Q C 2.216 178.242 176.000 0.042 0.000 0.975 1511 Q CA 1.597 57.424 55.803 0.041 0.000 0.836 1511 Q CB -0.110 28.746 28.738 0.198 0.000 0.896 1511 Q HN 0.480 nan 8.270 nan 0.000 0.428 1512 A N 0.830 123.684 122.820 0.056 0.000 1.908 1512 A HA -0.259 4.061 4.320 -0.000 0.000 0.218 1512 A C 1.764 179.354 177.584 0.010 0.000 1.181 1512 A CA 1.977 54.041 52.037 0.045 0.000 0.627 1512 A CB -0.933 18.097 19.000 0.051 0.000 0.818 1512 A HN 0.620 nan 8.150 nan 0.000 0.445 1513 D N -0.423 119.977 120.400 -0.000 0.000 2.117 1513 D HA -0.091 4.549 4.640 -0.000 0.000 0.197 1513 D C 1.824 178.107 176.300 -0.028 0.000 0.987 1513 D CA 1.118 55.114 54.000 -0.007 0.000 0.829 1513 D CB -0.163 40.633 40.800 -0.006 0.000 0.961 1513 D HN 0.436 nan 8.370 nan 0.000 0.460 1514 L N 0.099 121.292 121.223 -0.050 0.000 2.109 1514 L HA -0.052 4.288 4.340 -0.000 0.000 0.207 1514 L C 2.351 179.140 176.870 -0.136 0.000 1.086 1514 L CA 0.974 55.763 54.840 -0.084 0.000 0.760 1514 L CB -0.319 41.690 42.059 -0.083 0.000 0.910 1514 L HN 0.055 nan 8.230 nan 0.000 0.437 1515 E N -0.120 119.991 120.200 -0.148 0.000 2.150 1515 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 1515 E C 2.280 178.806 176.600 -0.124 0.000 0.985 1515 E CA 0.702 56.946 56.400 -0.259 0.000 0.814 1515 E CB 0.030 29.654 29.700 -0.126 0.000 0.752 1515 E HN 0.373 nan 8.360 nan 0.000 0.466 1516 R N 0.159 120.629 120.500 -0.050 0.000 2.152 1516 R HA -0.034 4.306 4.340 -0.000 0.000 0.232 1516 R C 1.777 178.067 176.300 -0.017 0.000 1.117 1516 R CA 1.015 57.108 56.100 -0.011 0.000 0.981 1516 R CB -0.012 30.293 30.300 0.007 0.000 0.870 1516 R HN 0.026 nan 8.270 nan 0.000 0.451 1517 A N -0.042 122.751 122.820 -0.045 0.000 2.337 1517 A HA 0.282 4.602 4.320 -0.000 0.000 0.227 1517 A C 1.147 178.704 177.584 -0.045 0.000 1.259 1517 A CA 0.495 52.508 52.037 -0.039 0.000 0.870 1517 A CB 0.029 18.997 19.000 -0.053 0.000 0.927 1517 A HN 0.395 nan 8.150 nan 0.000 0.497 1518 G N -0.617 108.144 108.800 -0.065 0.000 2.160 1518 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.251 1518 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.251 1518 G C -0.029 174.829 174.900 -0.069 0.000 1.008 1518 G CA 0.528 45.611 45.100 -0.027 0.000 0.724 1518 G HN 0.525 nan 8.290 nan 0.000 0.514 1519 I N 1.176 121.615 120.570 -0.218 0.000 2.436 1519 I HA 0.368 4.538 4.170 -0.000 0.000 0.289 1519 I C -0.159 175.767 176.117 -0.319 0.000 1.010 1519 I CA -0.924 60.291 61.300 -0.142 0.000 1.098 1519 I CB 1.411 39.368 38.000 -0.071 0.000 1.266 1519 I HN 0.056 nan 8.210 nan 0.000 0.434 1520 H N 6.087 125.210 119.070 0.089 0.000 2.551 1520 H HA 0.296 4.852 4.556 -0.000 0.000 0.321 1520 H C -2.346 173.079 175.328 0.161 0.000 1.028 1520 H CA -1.969 54.148 56.048 0.116 0.000 1.215 1520 H CB 1.271 31.097 29.762 0.107 0.000 1.414 1520 H HN 0.226 nan 8.280 nan 0.000 0.480 1521 P HA -0.148 nan 4.420 nan 0.000 0.260 1521 P C 0.510 178.016 177.300 0.344 0.000 1.172 1521 P CA 0.332 63.590 63.100 0.262 0.000 0.760 1521 P CB 0.490 32.356 31.700 0.277 0.000 0.773 1522 W N 4.721 126.107 121.300 0.143 0.000 2.584 1522 W HA 0.173 4.833 4.660 -0.000 0.000 0.264 1522 W C 0.632 177.239 176.519 0.147 0.000 1.264 1522 W CA 1.576 58.996 57.345 0.126 0.000 1.306 1522 W CB 0.312 29.826 29.460 0.089 0.000 1.110 1522 W HN 0.466 nan 8.180 nan 0.000 0.606 1523 G N -2.043 106.945 108.800 0.314 0.000 2.506 1523 G HA2 0.396 4.356 3.960 -0.000 0.000 0.292 1523 G HA3 0.396 4.356 3.960 -0.000 0.000 0.292 1523 G C -2.465 172.704 174.900 0.448 0.000 1.425 1523 G CA -0.963 44.261 45.100 0.207 0.000 0.788 1523 G HN -0.046 nan 8.290 nan 0.000 0.490 1524 W N -0.227 121.073 121.300 0.000 0.000 2.883 1524 W HA 0.747 5.407 4.660 -0.000 0.000 0.335 1524 W C -0.431 176.096 176.519 0.014 0.000 1.083 1524 W CA -0.809 56.547 57.345 0.018 0.000 1.233 1524 W CB 1.886 31.353 29.460 0.012 0.000 1.412 1524 W HN 0.340 nan 8.180 nan 0.000 0.490 1525 I N 4.665 125.360 120.570 0.209 0.000 2.406 1525 I HA 0.365 4.535 4.170 -0.000 0.000 0.290 1525 I C -0.254 175.937 176.117 0.123 0.000 0.999 1525 I CA -0.892 60.487 61.300 0.133 0.000 1.124 1525 I CB 1.175 39.224 38.000 0.082 0.000 1.289 1525 I HN 0.146 nan 8.210 nan 0.000 0.441 1526 I N 5.690 126.329 120.570 0.115 0.000 2.291 1526 I HA 0.222 4.392 4.170 -0.000 0.000 0.290 1526 I C 0.060 176.213 176.117 0.061 0.000 1.050 1526 I CA -0.297 61.063 61.300 0.100 0.000 1.245 1526 I CB 0.564 38.624 38.000 0.099 0.000 1.405 1526 I HN 0.565 nan 8.210 nan 0.000 0.478 1527 N N 4.574 123.302 118.700 0.047 0.000 2.434 1527 N HA 0.197 4.937 4.740 -0.000 0.000 0.266 1527 N C -0.181 175.347 175.510 0.030 0.000 1.223 1527 N CA -0.183 52.887 53.050 0.033 0.000 0.972 1527 N CB 0.496 38.996 38.487 0.023 0.000 1.207 1527 N HN 0.454 nan 8.380 nan 0.000 0.525 1528 N N -0.775 117.941 118.700 0.026 0.000 2.667 1528 N HA -0.216 4.524 4.740 -0.000 0.000 0.263 1528 N C -1.456 174.070 175.510 0.027 0.000 1.038 1528 N CA 0.626 53.691 53.050 0.025 0.000 0.749 1528 N CB -0.889 37.611 38.487 0.022 0.000 0.892 1528 N HN 0.376 nan 8.380 nan 0.000 0.546 1529 S N -0.122 115.594 115.700 0.027 0.000 2.489 1529 S HA 0.518 4.988 4.470 -0.000 0.000 0.291 1529 S C 1.086 175.700 174.600 0.023 0.000 1.151 1529 S CA -0.870 57.345 58.200 0.025 0.000 1.082 1529 S CB 0.888 64.103 63.200 0.024 0.000 1.019 1529 S HN 0.373 nan 8.310 nan 0.000 0.492 1530 L N 3.622 124.858 121.223 0.022 0.000 2.249 1530 L HA 0.040 4.380 4.340 -0.000 0.000 0.207 1530 L C 2.486 179.366 176.870 0.016 0.000 1.090 1530 L CA 0.372 55.225 54.840 0.021 0.000 0.802 1530 L CB -0.532 41.540 42.059 0.022 0.000 0.947 1530 L HN 0.609 nan 8.230 nan 0.000 0.453 1531 S N 0.911 116.619 115.700 0.013 0.000 2.377 1531 S HA -0.272 4.198 4.470 -0.000 0.000 0.224 1531 S C 1.839 176.443 174.600 0.007 0.000 1.042 1531 S CA 2.009 60.214 58.200 0.008 0.000 1.086 1531 S CB -0.455 62.748 63.200 0.005 0.000 0.995 1531 S HN 0.514 nan 8.310 nan 0.000 0.428 1532 I N 0.936 121.511 120.570 0.007 0.000 3.334 1532 I HA 0.153 4.323 4.170 -0.000 0.000 0.282 1532 I C 0.441 176.566 176.117 0.012 0.000 1.313 1532 I CA -0.148 61.156 61.300 0.006 0.000 1.396 1532 I CB -0.539 37.464 38.000 0.005 0.000 1.054 1532 I HN 0.171 nan 8.210 nan 0.000 0.495 1533 A N 1.522 124.351 122.820 0.015 0.000 2.303 1533 A HA 0.440 4.760 4.320 -0.000 0.000 0.317 1533 A C -0.914 176.680 177.584 0.016 0.000 1.149 1533 A CA -0.666 51.382 52.037 0.018 0.000 0.822 1533 A CB 0.437 19.450 19.000 0.022 0.000 1.131 1533 A HN 0.496 nan 8.150 nan 0.000 0.493 1534 D N 0.874 121.284 120.400 0.017 0.000 2.274 1534 D HA 0.541 5.181 4.640 -0.000 0.000 0.239 1534 D C -0.398 175.911 176.300 0.016 0.000 1.104 1534 D CA -0.200 53.809 54.000 0.015 0.000 0.840 1534 D CB 1.338 42.146 40.800 0.014 0.000 1.100 1534 D HN 0.356 nan 8.370 nan 0.000 0.477 1535 T N 0.934 115.496 114.554 0.013 0.000 2.942 1535 T HA 0.405 4.755 4.350 -0.000 0.000 0.327 1535 T C -0.099 174.606 174.700 0.009 0.000 1.360 1535 T CA -0.695 61.413 62.100 0.014 0.000 1.055 1535 T CB 1.243 70.122 68.868 0.019 0.000 1.261 1535 T HN 0.282 nan 8.240 nan 0.000 0.485 1536 R N 1.350 121.853 120.500 0.006 0.000 2.282 1536 R HA 0.325 4.665 4.340 -0.000 0.000 0.195 1536 R C 0.951 177.251 176.300 -0.000 0.000 0.909 1536 R CA 0.012 56.113 56.100 0.001 0.000 1.039 1536 R CB 0.228 30.527 30.300 -0.002 0.000 1.015 1536 R HN 0.516 nan 8.270 nan 0.000 0.513 1537 S N 3.059 118.761 115.700 0.003 0.000 2.737 1537 S HA 0.010 4.480 4.470 -0.000 0.000 0.315 1537 S C -1.342 173.259 174.600 0.002 0.000 1.236 1537 S CA -1.157 57.044 58.200 0.001 0.000 1.093 1537 S CB 0.591 63.798 63.200 0.012 0.000 0.832 1537 S HN 0.094 nan 8.310 nan 0.000 0.507 1538 P HA -0.129 nan 4.420 nan 0.000 0.221 1538 P C 1.375 178.675 177.300 0.001 0.000 1.145 1538 P CA 0.512 63.610 63.100 -0.004 0.000 0.795 1538 P CB 0.157 31.851 31.700 -0.010 0.000 0.775 1539 L N -0.601 120.625 121.223 0.004 0.000 2.049 1539 L HA -0.022 4.318 4.340 -0.000 0.000 0.203 1539 L C 2.341 179.223 176.870 0.019 0.000 1.074 1539 L CA 1.566 56.413 54.840 0.012 0.000 0.749 1539 L CB -1.631 40.438 42.059 0.017 0.000 0.907 1539 L HN -0.213 nan 8.230 nan 0.000 0.439 1540 L N -0.072 121.165 121.223 0.024 0.000 2.079 1540 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 1540 L C 2.719 179.600 176.870 0.019 0.000 1.081 1540 L CA 1.629 56.485 54.840 0.026 0.000 0.752 1540 L CB -0.977 41.100 42.059 0.030 0.000 0.896 1540 L HN 0.267 nan 8.230 nan 0.000 0.433 1541 R N -1.813 118.695 120.500 0.013 0.000 2.092 1541 R HA -0.147 4.192 4.340 -0.000 0.000 0.231 1541 R C 2.147 178.451 176.300 0.008 0.000 1.119 1541 R CA 1.294 57.399 56.100 0.009 0.000 0.970 1541 R CB -0.386 29.917 30.300 0.005 0.000 0.864 1541 R HN 0.231 nan 8.270 nan 0.000 0.440 1542 M N 0.513 120.118 119.600 0.008 0.000 2.175 1542 M HA -0.076 4.404 4.480 -0.000 0.000 0.264 1542 M C 1.838 178.144 176.300 0.010 0.000 1.063 1542 M CA 1.582 56.887 55.300 0.007 0.000 1.119 1542 M CB 0.001 32.605 32.600 0.007 0.000 1.377 1542 M HN -0.161 nan 8.290 nan 0.000 0.415 1543 R N -0.165 120.344 120.500 0.015 0.000 2.092 1543 R HA 0.106 4.446 4.340 -0.000 0.000 0.231 1543 R C 2.167 178.477 176.300 0.016 0.000 1.119 1543 R CA 1.448 57.559 56.100 0.018 0.000 0.970 1543 R CB -1.660 28.655 30.300 0.025 0.000 0.864 1543 R HN 0.493 nan 8.270 nan 0.000 0.440 1544 A N 0.720 123.548 122.820 0.014 0.000 2.019 1544 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 1544 A C 2.106 179.695 177.584 0.008 0.000 1.164 1544 A CA 1.339 53.383 52.037 0.012 0.000 0.644 1544 A CB -0.392 18.615 19.000 0.011 0.000 0.805 1544 A HN 0.386 nan 8.150 nan 0.000 0.449 1545 Q N -0.953 118.851 119.800 0.006 0.000 2.230 1545 Q HA -0.147 4.193 4.340 -0.000 0.000 0.202 1545 Q C 1.715 177.717 176.000 0.003 0.000 0.963 1545 Q CA 0.952 56.757 55.803 0.003 0.000 0.866 1545 Q CB -0.030 28.709 28.738 0.001 0.000 0.931 1545 Q HN 0.631 nan 8.270 nan 0.000 0.452 1546 Q N 0.290 120.094 119.800 0.006 0.000 2.297 1546 Q HA -0.138 4.202 4.340 -0.000 0.000 0.204 1546 Q C 1.366 177.372 176.000 0.010 0.000 0.962 1546 Q CA 1.019 56.826 55.803 0.007 0.000 0.879 1546 Q CB 0.115 28.858 28.738 0.009 0.000 0.947 1546 Q HN 0.582 nan 8.270 nan 0.000 0.462 1547 E N 0.731 120.938 120.200 0.012 0.000 2.107 1547 E HA -0.067 4.283 4.350 -0.000 0.000 0.191 1547 E C 2.201 178.808 176.600 0.012 0.000 0.982 1547 E CA 0.325 56.735 56.400 0.016 0.000 0.809 1547 E CB -0.188 29.523 29.700 0.018 0.000 0.756 1547 E HN 0.252 nan 8.360 nan 0.000 0.459 1548 L N 0.996 122.222 121.223 0.005 0.000 2.010 1548 L HA -0.225 4.115 4.340 -0.000 0.000 0.219 1548 L C -0.434 176.434 176.870 -0.003 0.000 1.077 1548 L CA 1.784 56.623 54.840 -0.002 0.000 0.773 1548 L CB -2.095 39.960 42.059 -0.006 0.000 0.892 1548 L HN 0.130 nan 8.230 nan 0.000 0.436 1549 P HA -0.195 nan 4.420 nan 0.000 0.216 1549 P C 1.513 178.817 177.300 0.007 0.000 1.153 1549 P CA 1.346 64.446 63.100 -0.001 0.000 0.858 1549 P CB 0.039 31.740 31.700 0.003 0.000 0.789 1550 Q N -0.882 118.931 119.800 0.022 0.000 2.049 1550 Q HA -0.061 4.279 4.340 -0.000 0.000 0.198 1550 Q C 2.234 178.256 176.000 0.037 0.000 0.971 1550 Q CA 1.216 57.045 55.803 0.044 0.000 0.833 1550 Q CB -1.091 27.680 28.738 0.055 0.000 0.896 1550 Q HN 0.238 nan 8.270 nan 0.000 0.434 1551 I N 0.734 121.317 120.570 0.023 0.000 2.151 1551 I HA -0.314 3.856 4.170 -0.000 0.000 0.243 1551 I C 2.187 178.291 176.117 -0.022 0.000 1.080 1551 I CA 1.232 62.538 61.300 0.010 0.000 1.339 1551 I CB -0.399 37.602 38.000 0.001 0.000 1.039 1551 I HN 0.275 nan 8.210 nan 0.000 0.409 1552 E N 0.896 121.079 120.200 -0.029 0.000 2.097 1552 E HA -0.189 4.161 4.350 -0.000 0.000 0.196 1552 E C 2.366 178.916 176.600 -0.084 0.000 1.000 1552 E CA 1.620 57.987 56.400 -0.055 0.000 0.804 1552 E CB -0.171 29.502 29.700 -0.044 0.000 0.740 1552 E HN 0.420 nan 8.360 nan 0.000 0.454 1553 S N 0.137 115.803 115.700 -0.056 0.000 2.370 1553 S HA -0.131 4.339 4.470 -0.000 0.000 0.226 1553 S C 2.233 176.732 174.600 -0.169 0.000 1.033 1553 S CA 1.239 59.382 58.200 -0.094 0.000 1.011 1553 S CB -0.269 62.970 63.200 0.064 0.000 0.852 1553 S HN 0.072 nan 8.310 nan 0.000 0.457 1554 V N 1.899 121.773 119.914 -0.067 0.000 2.237 1554 V HA -0.175 3.945 4.120 -0.000 0.000 0.245 1554 V C 2.406 178.316 176.094 -0.307 0.000 1.046 1554 V CA 1.850 64.029 62.300 -0.200 0.000 1.007 1554 V CB -0.552 31.214 31.823 -0.095 0.000 0.638 1554 V HN 0.407 nan 8.190 nan 0.000 0.445 1555 K N -0.026 120.255 120.400 -0.198 0.000 2.147 1555 K HA -0.105 4.215 4.320 -0.000 0.000 0.205 1555 K C 1.551 178.030 176.600 -0.202 0.000 1.049 1555 K CA 1.341 57.516 56.287 -0.188 0.000 0.936 1555 K CB 0.027 32.450 32.500 -0.127 0.000 0.722 1555 K HN 0.332 nan 8.250 nan 0.000 0.446 1556 R N -0.454 119.922 120.500 -0.206 0.000 2.767 1556 R HA 0.122 4.462 4.340 -0.000 0.000 0.377 1556 R C 0.446 176.590 176.300 -0.260 0.000 1.151 1556 R CA -0.037 55.944 56.100 -0.197 0.000 1.046 1556 R CB 0.781 30.994 30.300 -0.145 0.000 1.404 1556 R HN 0.239 nan 8.270 nan 0.000 0.580 1557 Q N -1.903 117.676 119.800 -0.368 0.000 1.532 1557 Q HA 0.019 4.359 4.340 -0.000 0.000 0.153 1557 Q C 0.287 175.935 176.000 -0.585 0.000 0.638 1557 Q CA 0.188 55.693 55.803 -0.497 0.000 0.676 1557 Q CB 0.327 28.661 28.738 -0.673 0.000 1.145 1557 Q HN 0.520 nan 8.270 nan 0.000 0.351 1558 H N -0.831 117.993 119.070 -0.410 0.000 3.017 1558 H HA 0.618 5.174 4.556 -0.000 0.000 0.255 1558 H C -0.212 174.597 175.328 -0.865 0.000 0.990 1558 H CA 0.364 56.047 56.048 -0.609 0.000 1.205 1558 H CB 1.820 30.996 29.762 -0.977 0.000 1.460 1558 H HN 0.147 nan 8.280 nan 0.000 0.478 1559 A N 0.483 122.873 122.820 -0.717 0.000 2.393 1559 A HA 0.451 4.771 4.320 -0.000 0.000 0.306 1559 A C 0.816 178.210 177.584 -0.316 0.000 1.050 1559 A CA -0.351 51.301 52.037 -0.641 0.000 0.724 1559 A CB 1.250 19.722 19.000 -0.880 0.000 1.248 1559 A HN 0.255 nan 8.150 nan 0.000 0.424 1560 S N 2.170 117.746 115.700 -0.208 0.000 2.345 1560 S HA 0.008 4.478 4.470 -0.000 0.000 0.219 1560 S C 0.803 175.269 174.600 -0.224 0.000 1.031 1560 S CA 0.667 58.754 58.200 -0.188 0.000 0.984 1560 S CB -0.229 62.870 63.200 -0.168 0.000 0.874 1560 S HN 0.744 nan 8.310 nan 0.000 0.451 1561 R N 0.639 120.988 120.500 -0.252 0.000 2.562 1561 R HA 0.759 5.099 4.340 -0.000 0.000 0.298 1561 R C -1.614 174.602 176.300 -0.140 0.000 0.961 1561 R CA -0.649 55.294 56.100 -0.262 0.000 0.881 1561 R CB 2.104 32.121 30.300 -0.471 0.000 1.159 1561 R HN 0.102 nan 8.270 nan 0.000 0.450 1562 V N 0.652 120.504 119.914 -0.103 0.000 2.876 1562 V HA 0.830 4.950 4.120 -0.000 0.000 0.312 1562 V C -0.542 175.546 176.094 -0.010 0.000 1.085 1562 V CA -1.027 61.261 62.300 -0.020 0.000 0.945 1562 V CB 1.948 33.744 31.823 -0.045 0.000 1.017 1562 V HN 0.951 nan 8.190 nan 0.000 0.428 1563 A N 3.369 126.213 122.820 0.040 0.000 2.414 1563 A HA 0.901 5.221 4.320 -0.000 0.000 0.306 1563 A C -1.333 176.273 177.584 0.035 0.000 1.054 1563 A CA -0.569 51.484 52.037 0.028 0.000 0.724 1563 A CB 1.604 20.634 19.000 0.050 0.000 1.267 1563 A HN 0.799 nan 8.150 nan 0.000 0.418 1564 L N 2.683 123.915 121.223 0.016 0.000 2.325 1564 L HA 0.571 4.911 4.340 -0.000 0.000 0.281 1564 L C -1.092 175.790 176.870 0.019 0.000 1.004 1564 L CA -0.758 54.094 54.840 0.019 0.000 0.823 1564 L CB 1.773 43.835 42.059 0.005 0.000 1.236 1564 L HN 0.517 nan 8.230 nan 0.000 0.415 1565 V N 5.569 125.500 119.914 0.028 0.000 2.581 1565 V HA 0.521 4.641 4.120 -0.000 0.000 0.303 1565 V C -2.096 174.013 176.094 0.025 0.000 1.041 1565 V CA -1.524 60.792 62.300 0.026 0.000 0.907 1565 V CB 1.956 33.797 31.823 0.030 0.000 0.994 1565 V HN 0.609 nan 8.190 nan 0.000 0.442 1566 P HA 0.286 nan 4.420 nan 0.000 0.278 1566 P C -0.658 176.657 177.300 0.026 0.000 1.258 1566 P CA -0.377 62.737 63.100 0.024 0.000 0.811 1566 P CB 1.417 33.132 31.700 0.024 0.000 1.063 1567 V N 2.662 122.591 119.914 0.026 0.000 2.439 1567 V HA 0.034 4.153 4.120 -0.000 0.000 0.271 1567 V C 1.088 177.199 176.094 0.028 0.000 1.040 1567 V CA 0.024 62.340 62.300 0.027 0.000 1.002 1567 V CB -0.197 31.643 31.823 0.028 0.000 1.000 1567 V HN 0.417 nan 8.190 nan 0.000 0.477 1568 L N 4.335 125.574 121.223 0.027 0.000 2.418 1568 L HA 0.361 4.701 4.340 -0.000 0.000 0.265 1568 L C 1.582 178.470 176.870 0.030 0.000 1.143 1568 L CA 0.050 54.907 54.840 0.028 0.000 0.809 1568 L CB 1.390 43.465 42.059 0.027 0.000 1.124 1568 L HN 0.795 nan 8.230 nan 0.000 0.456 1569 A N 2.221 125.060 122.820 0.031 0.000 1.829 1569 A HA -0.188 4.132 4.320 -0.000 0.000 0.216 1569 A C 2.130 179.735 177.584 0.035 0.000 1.207 1569 A CA 2.127 54.184 52.037 0.034 0.000 0.622 1569 A CB -0.944 18.076 19.000 0.033 0.000 0.846 1569 A HN 0.887 nan 8.150 nan 0.000 0.447 1570 S N -1.052 114.666 115.700 0.031 0.000 2.365 1570 S HA 0.196 4.666 4.470 -0.000 0.000 0.194 1570 S C 0.539 175.154 174.600 0.025 0.000 1.093 1570 S CA 0.860 59.077 58.200 0.029 0.000 1.224 1570 S CB -0.220 62.995 63.200 0.026 0.000 0.961 1570 S HN 0.689 nan 8.310 nan 0.000 0.412 1571 E N 0.818 121.031 120.200 0.022 0.000 3.939 1571 E HA 0.127 4.477 4.350 -0.000 0.000 0.383 1571 E C -3.106 173.505 176.600 0.019 0.000 1.054 1571 E CA -1.025 55.387 56.400 0.019 0.000 0.820 1571 E CB 1.173 30.882 29.700 0.016 0.000 1.254 1571 E HN 0.262 nan 8.360 nan 0.000 0.517 1572 P HA -0.071 nan 4.420 nan 0.000 0.196 1572 P C 0.146 177.457 177.300 0.018 0.000 1.360 1572 P CA 0.556 63.667 63.100 0.019 0.000 1.128 1572 P CB 0.071 31.783 31.700 0.020 0.000 1.750 1573 T N -0.588 113.976 114.554 0.017 0.000 3.056 1573 T HA 0.151 4.501 4.350 -0.000 0.000 0.241 1573 T C 1.138 175.848 174.700 0.016 0.000 1.006 1573 T CA 0.572 62.682 62.100 0.016 0.000 1.115 1573 T CB 0.056 68.933 68.868 0.015 0.000 0.939 1573 T HN 0.336 nan 8.240 nan 0.000 0.462 1574 G N 0.973 109.783 108.800 0.017 0.000 2.444 1574 G HA2 0.421 4.381 3.960 -0.000 0.000 0.268 1574 G HA3 0.421 4.381 3.960 -0.000 0.000 0.268 1574 G C 0.767 175.677 174.900 0.017 0.000 1.203 1574 G CA -0.497 44.613 45.100 0.017 0.000 0.835 1574 G HN 0.153 nan 8.290 nan 0.000 0.543 1575 I N 0.941 121.521 120.570 0.016 0.000 2.264 1575 I HA -0.159 4.011 4.170 -0.000 0.000 0.248 1575 I C 2.491 178.620 176.117 0.019 0.000 1.111 1575 I CA 1.896 63.206 61.300 0.017 0.000 1.382 1575 I CB -0.101 37.908 38.000 0.015 0.000 1.060 1575 I HN 0.708 nan 8.210 nan 0.000 0.418 1576 D N 0.033 120.444 120.400 0.019 0.000 2.084 1576 D HA -0.220 4.420 4.640 -0.000 0.000 0.196 1576 D C 1.666 177.981 176.300 0.024 0.000 0.985 1576 D CA 1.126 55.139 54.000 0.022 0.000 0.826 1576 D CB -0.695 40.117 40.800 0.020 0.000 0.978 1576 D HN 0.208 nan 8.370 nan 0.000 0.456 1577 K N 0.131 120.545 120.400 0.023 0.000 2.281 1577 K HA -0.068 4.252 4.320 -0.000 0.000 0.203 1577 K C 2.181 178.796 176.600 0.025 0.000 1.046 1577 K CA 0.195 56.496 56.287 0.024 0.000 0.938 1577 K CB -0.511 32.002 32.500 0.022 0.000 0.737 1577 K HN 0.248 nan 8.250 nan 0.000 0.458 1578 L N 1.635 122.873 121.223 0.024 0.000 2.131 1578 L HA -0.060 4.280 4.340 -0.000 0.000 0.206 1578 L C 1.790 178.676 176.870 0.028 0.000 1.087 1578 L CA 1.596 56.451 54.840 0.024 0.000 0.767 1578 L CB -0.145 41.926 42.059 0.021 0.000 0.917 1578 L HN -0.007 nan 8.230 nan 0.000 0.441 1579 K N -0.800 119.618 120.400 0.030 0.000 2.360 1579 K HA -0.156 4.164 4.320 -0.000 0.000 0.201 1579 K C 1.847 178.473 176.600 0.043 0.000 1.046 1579 K CA 1.083 57.392 56.287 0.036 0.000 0.945 1579 K CB -0.121 32.401 32.500 0.037 0.000 0.750 1579 K HN 0.527 nan 8.250 nan 0.000 0.464 1580 Q N 0.482 120.306 119.800 0.040 0.000 2.435 1580 Q HA 0.042 4.382 4.340 -0.000 0.000 0.207 1580 Q C 1.909 177.935 176.000 0.043 0.000 0.956 1580 Q CA 0.363 56.193 55.803 0.044 0.000 0.917 1580 Q CB 0.126 28.887 28.738 0.039 0.000 0.997 1580 Q HN 0.318 nan 8.270 nan 0.000 0.497 1581 L N -0.100 121.146 121.223 0.038 0.000 2.027 1581 L HA -0.145 4.195 4.340 -0.000 0.000 0.206 1581 L C 2.495 179.387 176.870 0.036 0.000 1.074 1581 L CA 1.013 55.873 54.840 0.034 0.000 0.745 1581 L CB -0.682 41.395 42.059 0.030 0.000 0.898 1581 L HN 0.228 nan 8.230 nan 0.000 0.433 1582 A N -0.253 122.591 122.820 0.039 0.000 1.873 1582 A HA 0.087 4.407 4.320 -0.000 0.000 0.218 1582 A C 1.323 178.931 177.584 0.040 0.000 1.193 1582 A CA 1.530 53.591 52.037 0.040 0.000 0.629 1582 A CB -0.941 18.086 19.000 0.046 0.000 0.826 1582 A HN 0.566 nan 8.150 nan 0.000 0.447 1583 G N -1.988 106.847 108.800 0.058 0.000 2.707 1583 G HA2 0.017 3.977 3.960 -0.000 0.000 0.686 1583 G HA3 0.017 3.977 3.960 -0.000 0.000 0.686 1583 G C -0.197 174.761 174.900 0.096 0.000 1.315 1583 G CA -0.131 45.012 45.100 0.071 0.000 0.832 1583 G HN 1.599 nan 8.290 nan 0.000 0.573 1584 H N 0.150 119.268 119.070 0.079 0.000 2.707 1584 H HA 0.372 4.928 4.556 -0.000 0.000 0.359 1584 H C 0.470 175.894 175.328 0.161 0.000 1.113 1584 H CA 0.451 56.567 56.048 0.114 0.000 1.422 1584 H CB 0.659 30.480 29.762 0.098 0.000 1.443 1584 H HN 0.871 nan 8.280 nan 0.000 0.591 1585 H N 2.812 121.966 119.070 0.140 0.000 3.145 1585 H HA 0.040 4.596 4.556 -0.000 0.000 0.263 1585 H C -0.945 174.496 175.328 0.188 0.000 1.057 1585 H CA 0.024 56.138 56.048 0.110 0.000 1.477 1585 H CB -0.664 29.181 29.762 0.137 0.000 1.529 1585 H HN 0.662 nan 8.280 nan 0.000 0.508 1586 H N 4.140 122.960 119.070 -0.417 0.000 2.640 1586 H HA 0.180 4.736 4.556 -0.000 0.000 0.297 1586 H C -0.627 174.495 175.328 -0.344 0.000 1.073 1586 H CA -0.748 55.129 56.048 -0.285 0.000 1.305 1586 H CB -0.172 29.436 29.762 -0.258 0.000 1.404 1586 H HN 0.811 nan 8.280 nan 0.000 0.459 1587 H N 3.686 122.299 119.070 -0.762 0.000 2.848 1587 H HA 0.248 4.804 4.556 -0.000 0.000 0.341 1587 H C -0.386 174.748 175.328 -0.324 0.000 1.060 1587 H CA 0.798 56.558 56.048 -0.480 0.000 1.444 1587 H CB 0.111 29.720 29.762 -0.255 0.000 1.446 1587 H HN 0.927 nan 8.280 nan 0.000 0.583 1588 H N 2.244 120.928 119.070 -0.643 0.000 3.042 1588 H HA 0.335 4.891 4.556 -0.000 0.000 0.346 1588 H C -1.124 174.018 175.328 -0.310 0.000 1.294 1588 H CA -0.909 54.904 56.048 -0.392 0.000 1.141 1588 H CB 0.771 30.370 29.762 -0.272 0.000 1.872 1588 H HN 0.732 nan 8.280 nan 0.000 0.541 1589 H N 0.000 119.075 119.070 0.009 0.000 2.539 1589 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 1589 H CA 0.000 56.053 56.048 0.007 0.000 1.023 1589 H CB 0.000 29.771 29.762 0.015 0.000 1.292 1589 H HN 0.000 nan 8.280 nan 0.000 0.496