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 3dh7_1_D DATA FIRST_RESID 9 DATA SEQUENCE KHLEACLEGE VAYQKTTTGL EGFRLRYQAL AGLALSEVDL TTPFLGKTLK DATA SEQUENCE APFLIGAMTX XXXXXERINL ALAEAAEALG VGMMLGSGRI LLERPEAXXX DATA SEQUENCE XXVRKVAPKA LLIANLGLAQ LRRYGRDDLL RLVEMLEADA LAFHVNPLQE DATA SEQUENCE AVQRGDTDFR GLVERLAELL PLPFPVMVKE VGHGLSREAA LALRDLPLAA DATA SEQUENCE VDVAGAGGTS WARVEEWVRF GEVRHPELCE IGIPTARAIL EVREVLPHLP DATA SEQUENCE LVASGGVYTG TDGAKALALG ADLLAVARPL LRPALEGAER VAAWIGDYLE DATA SEQUENCE ELRTALFAIG ARNPKEARGR VERV 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 9 K HA 0.000 nan 4.320 nan 0.000 0.191 9 K C 0.000 176.666 176.600 0.111 0.000 0.988 9 K CA 0.000 56.355 56.287 0.113 0.000 0.838 9 K CB 0.000 32.595 32.500 0.159 0.000 1.064 10 H N 2.192 121.321 119.070 0.099 0.000 2.289 10 H HA -0.053 4.487 4.556 -0.028 0.000 0.294 10 H C 2.063 177.461 175.328 0.117 0.000 1.095 10 H CA 2.360 58.505 56.048 0.161 0.000 1.256 10 H CB -0.209 29.718 29.762 0.274 0.000 1.359 10 H HN 0.186 nan 8.280 nan 0.000 0.487 11 L N 1.057 122.441 121.223 0.269 0.000 1.978 11 L HA -0.260 4.063 4.340 -0.027 0.000 0.235 11 L C 2.337 179.238 176.870 0.051 0.000 1.094 11 L CA 2.530 57.450 54.840 0.133 0.000 0.814 11 L CB -1.073 41.042 42.059 0.094 0.000 0.911 11 L HN 0.563 nan 8.230 nan 0.000 0.442 12 E N -0.354 119.870 120.200 0.039 0.000 2.482 12 E HA -0.081 4.252 4.350 -0.027 0.000 0.196 12 E C 1.740 178.312 176.600 -0.047 0.000 1.047 12 E CA 0.800 57.198 56.400 -0.003 0.000 0.869 12 E CB -0.007 29.701 29.700 0.013 0.000 0.836 12 E HN 0.491 nan 8.360 nan 0.000 0.520 13 A N 1.391 124.182 122.820 -0.048 0.000 1.851 13 A HA -0.191 4.113 4.320 -0.027 0.000 0.216 13 A C 2.530 179.925 177.584 -0.315 0.000 1.195 13 A CA 1.582 53.516 52.037 -0.173 0.000 0.622 13 A CB -1.177 17.750 19.000 -0.121 0.000 0.831 13 A HN 0.506 nan 8.150 nan 0.000 0.444 14 C N -0.824 118.342 119.300 -0.224 0.000 2.410 14 C HA -0.048 4.396 4.460 -0.027 0.000 0.281 14 C C 2.474 177.340 174.990 -0.206 0.000 1.318 14 C CA 0.854 59.731 59.018 -0.234 0.000 1.776 14 C CB -1.285 26.385 27.740 -0.117 0.000 1.942 14 C HN 0.585 nan 8.230 nan 0.000 0.508 15 L N 0.324 121.450 121.223 -0.162 0.000 2.116 15 L HA 0.043 4.367 4.340 -0.027 0.000 0.200 15 L C 2.509 179.277 176.870 -0.171 0.000 1.084 15 L CA 1.871 56.630 54.840 -0.135 0.000 0.766 15 L CB -1.185 40.827 42.059 -0.079 0.000 0.930 15 L HN 0.182 nan 8.230 nan 0.000 0.453 16 E N -0.205 119.890 120.200 -0.175 0.000 2.046 16 E HA 0.001 4.335 4.350 -0.027 0.000 0.190 16 E C 0.985 177.370 176.600 -0.359 0.000 0.982 16 E CA 0.639 56.936 56.400 -0.171 0.000 0.800 16 E CB -0.397 29.273 29.700 -0.050 0.000 0.756 16 E HN 0.438 nan 8.360 nan 0.000 0.449 17 G N 1.185 109.545 108.800 -0.733 0.000 2.467 17 G HA2 0.152 4.096 3.960 -0.027 0.000 0.257 17 G HA3 0.152 4.096 3.960 -0.027 0.000 0.257 17 G C -0.528 173.700 174.900 -1.120 0.000 1.227 17 G CA -0.546 43.564 45.100 -1.651 0.000 0.835 17 G HN 0.108 nan 8.290 nan 0.000 0.556 18 E N 1.474 121.014 120.200 -1.099 0.000 1.865 18 E HA 0.077 4.411 4.350 -0.027 0.000 0.269 18 E C 0.748 177.117 176.600 -0.385 0.000 1.177 18 E CA -0.486 55.629 56.400 -0.474 0.000 0.932 18 E CB 0.844 30.429 29.700 -0.192 0.000 1.066 18 E HN 0.328 nan 8.360 nan 0.000 0.405 19 V N -0.710 118.979 119.914 -0.375 0.000 3.578 19 V HA 0.374 4.478 4.120 -0.027 0.000 0.290 19 V C 0.972 176.925 176.094 -0.235 0.000 1.376 19 V CA 0.006 62.116 62.300 -0.317 0.000 1.083 19 V CB 0.021 31.581 31.823 -0.438 0.000 0.911 19 V HN 0.514 nan 8.190 nan 0.000 0.433 20 A N -0.092 122.648 122.820 -0.134 0.000 2.407 20 A HA 0.560 4.864 4.320 -0.027 0.000 0.248 20 A C -0.338 177.273 177.584 0.045 0.000 1.082 20 A CA -0.230 51.809 52.037 0.004 0.000 0.785 20 A CB -0.240 18.795 19.000 0.059 0.000 1.020 20 A HN 0.419 nan 8.150 nan 0.000 0.489 21 Y N 0.747 121.023 120.300 -0.040 0.000 2.610 21 Y HA 0.018 4.551 4.550 -0.028 0.000 0.332 21 Y C 1.697 177.592 175.900 -0.008 0.000 1.201 21 Y CA 0.690 58.770 58.100 -0.032 0.000 1.465 21 Y CB 0.597 39.025 38.460 -0.053 0.000 1.283 21 Y HN 0.680 nan 8.280 nan 0.000 0.563 22 Q N 2.122 122.011 119.800 0.149 0.000 2.376 22 Q HA 0.036 4.360 4.340 -0.027 0.000 0.206 22 Q C 0.880 176.940 176.000 0.100 0.000 0.921 22 Q CA 0.999 56.863 55.803 0.101 0.000 0.911 22 Q CB 0.421 29.206 28.738 0.078 0.000 1.032 22 Q HN 0.759 nan 8.270 nan 0.000 0.510 23 K N -0.408 120.068 120.400 0.127 0.000 2.431 23 K HA 0.171 4.475 4.320 -0.027 0.000 0.213 23 K C 0.431 177.076 176.600 0.076 0.000 1.258 23 K CA 0.229 56.570 56.287 0.090 0.000 0.845 23 K CB 0.207 32.755 32.500 0.081 0.000 1.498 23 K HN -0.036 nan 8.250 nan 0.000 0.451 24 T N 2.573 117.188 114.554 0.102 0.000 2.939 24 T HA 0.032 4.366 4.350 -0.027 0.000 0.319 24 T C 0.402 175.047 174.700 -0.091 0.000 1.082 24 T CA 0.452 62.548 62.100 -0.007 0.000 1.133 24 T CB 0.607 69.439 68.868 -0.059 0.000 1.019 24 T HN 0.409 nan 8.240 nan 0.000 0.548 25 T N -2.116 112.359 114.554 -0.131 0.000 2.896 25 T HA 0.450 4.784 4.350 -0.027 0.000 0.297 25 T C 1.529 176.131 174.700 -0.164 0.000 1.108 25 T CA -0.260 61.764 62.100 -0.127 0.000 1.004 25 T CB 1.497 70.334 68.868 -0.052 0.000 1.159 25 T HN 0.605 nan 8.240 nan 0.000 0.499 26 T N -1.001 113.455 114.554 -0.163 0.000 2.822 26 T HA 0.143 4.477 4.350 -0.027 0.000 0.270 26 T C 1.967 176.635 174.700 -0.053 0.000 1.064 26 T CA 1.719 63.734 62.100 -0.142 0.000 1.131 26 T CB -1.134 67.651 68.868 -0.138 0.000 0.858 26 T HN 2.192 nan 8.240 nan 0.000 0.483 27 G N 0.760 109.559 108.800 -0.002 0.000 2.199 27 G HA2 -0.266 3.678 3.960 -0.027 0.000 0.254 27 G HA3 -0.266 3.678 3.960 -0.027 0.000 0.254 27 G C 0.775 175.803 174.900 0.214 0.000 0.982 27 G CA 0.352 45.505 45.100 0.089 0.000 0.632 27 G HN 0.546 nan 8.290 nan 0.000 0.529 28 L N 1.153 122.452 121.223 0.126 0.000 2.093 28 L HA 0.015 4.339 4.340 -0.027 0.000 0.208 28 L C 2.534 179.521 176.870 0.196 0.000 1.085 28 L CA 1.580 56.515 54.840 0.158 0.000 0.755 28 L CB -0.276 41.800 42.059 0.029 0.000 0.904 28 L HN 0.486 nan 8.230 nan 0.000 0.435 29 E N 1.241 121.499 120.200 0.098 0.000 2.385 29 E HA -0.085 4.249 4.350 -0.027 0.000 0.201 29 E C 0.727 177.352 176.600 0.042 0.000 1.250 29 E CA 0.693 57.129 56.400 0.059 0.000 1.104 29 E CB -0.425 29.289 29.700 0.023 0.000 1.174 29 E HN 0.337 nan 8.360 nan 0.000 0.461 30 G N 0.290 109.132 108.800 0.071 0.000 4.683 30 G HA2 0.397 4.341 3.960 -0.027 0.000 0.273 30 G HA3 0.397 4.341 3.960 -0.027 0.000 0.273 30 G C -0.898 173.742 174.900 -0.433 0.000 1.065 30 G CA -0.444 44.570 45.100 -0.143 0.000 0.837 30 G HN 0.108 nan 8.290 nan 0.000 0.526 31 F N -0.452 119.487 119.950 -0.018 0.000 2.635 31 F HA 0.560 5.071 4.527 -0.027 0.000 0.314 31 F C -0.239 175.553 175.800 -0.013 0.000 1.119 31 F CA -1.048 56.943 58.000 -0.015 0.000 1.000 31 F CB 2.268 41.259 39.000 -0.016 0.000 1.278 31 F HN -0.142 nan 8.300 nan 0.000 0.446 32 R N 3.537 124.145 120.500 0.180 0.000 2.437 32 R HA 0.558 4.882 4.340 -0.027 0.000 0.310 32 R C -1.252 175.113 176.300 0.109 0.000 0.955 32 R CA -0.805 55.353 56.100 0.096 0.000 0.851 32 R CB 1.469 31.797 30.300 0.046 0.000 1.161 32 R HN 0.722 nan 8.270 nan 0.000 0.446 33 L N 4.762 126.031 121.223 0.077 0.000 2.500 33 L HA 0.155 4.479 4.340 -0.027 0.000 0.272 33 L C 1.074 177.997 176.870 0.087 0.000 1.149 33 L CA 0.238 55.120 54.840 0.069 0.000 0.897 33 L CB 0.235 42.321 42.059 0.045 0.000 1.178 33 L HN 0.363 nan 8.230 nan 0.000 0.473 34 R N 3.590 124.137 120.500 0.079 0.000 2.413 34 R HA -0.022 4.302 4.340 -0.027 0.000 0.333 34 R C -0.444 175.915 176.300 0.100 0.000 1.074 34 R CA -0.075 56.069 56.100 0.073 0.000 0.982 34 R CB -0.017 30.310 30.300 0.044 0.000 0.981 34 R HN 0.342 nan 8.270 nan 0.000 0.452 35 Y N 2.712 122.992 120.300 -0.032 0.000 2.357 35 Y HA 0.005 4.539 4.550 -0.027 0.000 0.340 35 Y C -0.257 175.598 175.900 -0.076 0.000 1.260 35 Y CA -0.003 58.061 58.100 -0.061 0.000 1.425 35 Y CB 0.920 39.346 38.460 -0.058 0.000 1.326 35 Y HN 0.361 nan 8.280 nan 0.000 0.580 36 Q N 4.231 123.558 119.800 -0.788 0.000 2.589 36 Q HA 0.396 4.720 4.340 -0.027 0.000 0.245 36 Q C 0.145 175.603 176.000 -0.903 0.000 0.931 36 Q CA 0.017 55.416 55.803 -0.674 0.000 0.730 36 Q CB 1.569 30.112 28.738 -0.326 0.000 1.315 36 Q HN 0.925 nan 8.270 nan 0.000 0.469 37 A N 2.228 124.458 122.820 -0.984 0.000 2.014 37 A HA 0.039 4.343 4.320 -0.027 0.000 0.218 37 A C 1.161 178.541 177.584 -0.339 0.000 1.163 37 A CA 0.944 52.573 52.037 -0.681 0.000 0.652 37 A CB 0.176 18.937 19.000 -0.398 0.000 0.808 37 A HN 0.589 nan 8.150 nan 0.000 0.449 38 L N -0.726 120.332 121.223 -0.275 0.000 2.928 38 L HA 0.245 4.569 4.340 -0.027 0.000 0.246 38 L C 2.125 178.904 176.870 -0.151 0.000 1.239 38 L CA 0.193 54.937 54.840 -0.160 0.000 1.035 38 L CB 0.106 42.100 42.059 -0.107 0.000 1.360 38 L HN 0.346 nan 8.230 nan 0.000 0.529 39 A N 0.420 123.114 122.820 -0.211 0.000 1.997 39 A HA -0.140 4.164 4.320 -0.027 0.000 0.221 39 A C 1.905 179.436 177.584 -0.089 0.000 1.172 39 A CA 1.318 53.258 52.037 -0.162 0.000 0.645 39 A CB -0.745 18.121 19.000 -0.224 0.000 0.813 39 A HN 0.632 nan 8.150 nan 0.000 0.454 40 G N -1.630 107.123 108.800 -0.079 0.000 2.323 40 G HA2 -0.070 3.874 3.960 -0.027 0.000 0.292 40 G HA3 -0.070 3.874 3.960 -0.027 0.000 0.292 40 G C -0.108 174.812 174.900 0.034 0.000 1.040 40 G CA 0.721 45.811 45.100 -0.017 0.000 0.942 40 G HN 1.532 nan 8.290 nan 0.000 0.506 41 L N -3.363 117.912 121.223 0.087 0.000 2.257 41 L HA 1.065 5.388 4.340 -0.027 0.000 0.257 41 L C 0.239 177.274 176.870 0.276 0.000 1.033 41 L CA -1.410 53.521 54.840 0.150 0.000 0.835 41 L CB 1.000 43.139 42.059 0.133 0.000 1.398 41 L HN 0.807 nan 8.230 nan 0.000 0.429 42 A N 0.238 123.160 122.820 0.169 0.000 2.290 42 A HA 0.592 4.896 4.320 -0.027 0.000 0.310 42 A C 0.721 178.252 177.584 -0.088 0.000 1.202 42 A CA -0.392 51.684 52.037 0.066 0.000 0.837 42 A CB 0.641 19.648 19.000 0.012 0.000 1.139 42 A HN 0.953 nan 8.150 nan 0.000 0.509 43 L N 3.713 124.662 121.223 -0.457 0.000 2.046 43 L HA -0.136 4.188 4.340 -0.027 0.000 0.208 43 L C 2.599 179.271 176.870 -0.330 0.000 1.077 43 L CA 3.097 57.453 54.840 -0.807 0.000 0.747 43 L CB -0.716 40.654 42.059 -1.148 0.000 0.896 43 L HN 0.870 nan 8.230 nan 0.000 0.432 44 S N -0.104 115.467 115.700 -0.214 0.000 2.420 44 S HA -0.278 4.176 4.470 -0.027 0.000 0.237 44 S C 1.726 176.282 174.600 -0.073 0.000 1.023 44 S CA 1.351 59.481 58.200 -0.117 0.000 0.991 44 S CB -0.865 62.288 63.200 -0.079 0.000 0.792 44 S HN 0.816 nan 8.310 nan 0.000 0.488 45 E N 0.837 121.004 120.200 -0.055 0.000 2.489 45 E HA 0.140 4.474 4.350 -0.027 0.000 0.193 45 E C 0.567 177.169 176.600 0.003 0.000 1.057 45 E CA 0.150 56.543 56.400 -0.012 0.000 0.866 45 E CB -0.002 29.705 29.700 0.012 0.000 0.916 45 E HN 0.444 nan 8.360 nan 0.000 0.500 46 V N 1.684 121.592 119.914 -0.010 0.000 2.455 46 V HA 0.158 4.262 4.120 -0.027 0.000 0.273 46 V C -0.957 175.144 176.094 0.012 0.000 1.045 46 V CA -0.396 61.919 62.300 0.025 0.000 0.976 46 V CB 1.201 33.066 31.823 0.070 0.000 0.993 46 V HN 0.114 nan 8.190 nan 0.000 0.475 47 D N 5.333 125.748 120.400 0.024 0.000 2.485 47 D HA 0.303 4.927 4.640 -0.027 0.000 0.229 47 D C 1.077 177.395 176.300 0.029 0.000 1.101 47 D CA -0.262 53.751 54.000 0.021 0.000 0.906 47 D CB 0.883 41.696 40.800 0.022 0.000 1.019 47 D HN 0.619 nan 8.370 nan 0.000 0.516 48 L N 1.454 122.694 121.223 0.030 0.000 2.349 48 L HA -0.060 4.264 4.340 -0.027 0.000 0.220 48 L C 0.951 177.848 176.870 0.044 0.000 1.130 48 L CA 0.685 55.550 54.840 0.042 0.000 0.791 48 L CB -0.745 41.340 42.059 0.044 0.000 0.918 48 L HN 0.295 nan 8.230 nan 0.000 0.444 49 T N 1.084 115.660 114.554 0.037 0.000 2.905 49 T HA 0.101 4.434 4.350 -0.027 0.000 0.299 49 T C 0.269 174.996 174.700 0.045 0.000 1.024 49 T CA 0.597 62.722 62.100 0.041 0.000 1.151 49 T CB 0.354 69.242 68.868 0.033 0.000 0.987 49 T HN 0.229 nan 8.240 nan 0.000 0.535 50 T N 5.708 120.295 114.554 0.055 0.000 3.032 50 T HA 0.485 4.819 4.350 -0.027 0.000 0.312 50 T C -2.969 171.783 174.700 0.086 0.000 1.078 50 T CA -1.273 60.861 62.100 0.057 0.000 1.028 50 T CB 2.230 71.118 68.868 0.034 0.000 1.091 50 T HN 0.264 nan 8.240 nan 0.000 0.457 51 P HA 0.596 nan 4.420 nan 0.000 0.301 51 P C -1.412 176.024 177.300 0.226 0.000 1.348 51 P CA -0.642 62.536 63.100 0.131 0.000 0.826 51 P CB 0.567 32.323 31.700 0.094 0.000 0.945 52 F N 5.612 125.584 119.950 0.036 0.000 2.518 52 F HA 0.394 4.905 4.527 -0.027 0.000 0.323 52 F C 0.288 176.105 175.800 0.030 0.000 1.129 52 F CA -1.668 56.353 58.000 0.034 0.000 0.920 52 F CB 0.819 39.841 39.000 0.036 0.000 1.160 52 F HN 0.188 nan 8.300 nan 0.000 0.440 53 L N 6.807 127.944 121.223 -0.142 0.000 3.713 53 L HA -0.241 4.083 4.340 -0.027 0.000 0.499 53 L C 1.253 178.053 176.870 -0.116 0.000 1.281 53 L CA 0.818 55.483 54.840 -0.292 0.000 0.796 53 L CB -1.649 40.036 42.059 -0.624 0.000 1.535 53 L HN 1.127 nan 8.230 nan 0.000 0.851 54 G N -1.192 107.593 108.800 -0.026 0.000 2.343 54 G HA2 -0.370 3.574 3.960 -0.027 0.000 0.264 54 G HA3 -0.370 3.574 3.960 -0.027 0.000 0.264 54 G C 0.825 175.733 174.900 0.013 0.000 0.989 54 G CA 1.355 46.456 45.100 0.001 0.000 0.627 54 G HN 0.507 nan 8.290 nan 0.000 0.549 55 K N -0.726 119.683 120.400 0.016 0.000 2.760 55 K HA 0.656 4.960 4.320 -0.027 0.000 0.285 55 K C -0.367 176.276 176.600 0.073 0.000 1.016 55 K CA -0.009 56.300 56.287 0.037 0.000 1.087 55 K CB 0.775 33.291 32.500 0.028 0.000 1.427 55 K HN 0.070 nan 8.250 nan 0.000 0.524 56 T N 1.334 115.934 114.554 0.077 0.000 3.172 56 T HA 0.393 4.727 4.350 -0.027 0.000 0.320 56 T C -1.624 173.127 174.700 0.086 0.000 1.085 56 T CA -0.723 61.428 62.100 0.084 0.000 1.052 56 T CB 0.777 69.680 68.868 0.058 0.000 1.107 56 T HN 0.185 nan 8.240 nan 0.000 0.458 57 L N 2.413 123.697 121.223 0.101 0.000 2.319 57 L HA 0.674 4.997 4.340 -0.027 0.000 0.267 57 L C 1.290 178.201 176.870 0.069 0.000 1.011 57 L CA -0.915 53.980 54.840 0.092 0.000 0.818 57 L CB 0.589 42.724 42.059 0.126 0.000 1.316 57 L HN 0.312 nan 8.230 nan 0.000 0.432 58 K N 0.541 120.975 120.400 0.057 0.000 2.525 58 K HA 0.436 4.740 4.320 -0.027 0.000 0.192 58 K C -0.055 176.572 176.600 0.044 0.000 1.029 58 K CA 0.406 56.717 56.287 0.039 0.000 1.029 58 K CB 0.077 32.590 32.500 0.022 0.000 0.814 58 K HN 0.763 nan 8.250 nan 0.000 0.503 59 A N 1.012 123.875 122.820 0.071 0.000 2.612 59 A HA 0.446 4.750 4.320 -0.027 0.000 0.293 59 A C -2.829 174.832 177.584 0.127 0.000 1.075 59 A CA -1.098 50.997 52.037 0.096 0.000 0.680 59 A CB 1.526 20.579 19.000 0.089 0.000 1.279 59 A HN -0.182 nan 8.150 nan 0.000 0.411 60 P HA 0.409 nan 4.420 nan 0.000 0.219 60 P C -1.052 176.319 177.300 0.118 0.000 1.832 60 P CA 0.450 63.590 63.100 0.067 0.000 1.014 60 P CB -0.847 30.872 31.700 0.032 0.000 1.939 61 F N 1.968 121.896 119.950 -0.036 0.000 2.608 61 F HA 0.554 5.066 4.527 -0.026 0.000 0.309 61 F C -1.955 173.842 175.800 -0.005 0.000 1.103 61 F CA -1.062 56.933 58.000 -0.009 0.000 0.954 61 F CB 1.640 40.660 39.000 0.034 0.000 1.267 61 F HN -0.204 nan 8.300 nan 0.000 0.444 62 L N 6.528 127.469 121.223 -0.470 0.000 2.401 62 L HA 0.554 4.878 4.340 -0.027 0.000 0.266 62 L C -0.439 176.241 176.870 -0.318 0.000 0.991 62 L CA -1.157 53.612 54.840 -0.119 0.000 0.818 62 L CB 2.073 44.110 42.059 -0.037 0.000 1.321 62 L HN 0.512 nan 8.230 nan 0.000 0.413 63 I N 1.103 121.737 120.570 0.105 0.000 2.779 63 I HA 0.343 4.497 4.170 -0.027 0.000 0.285 63 I C 0.830 176.925 176.117 -0.037 0.000 1.134 63 I CA 0.048 61.388 61.300 0.066 0.000 1.398 63 I CB 0.804 38.879 38.000 0.125 0.000 1.404 63 I HN 0.709 nan 8.210 nan 0.000 0.587 64 G N 2.431 111.199 108.800 -0.054 0.000 2.511 64 G HA2 0.613 4.556 3.960 -0.027 0.000 0.318 64 G HA3 0.613 4.556 3.960 -0.027 0.000 0.318 64 G C -0.574 174.309 174.900 -0.028 0.000 1.210 64 G CA -0.756 44.318 45.100 -0.044 0.000 0.969 64 G HN 0.856 nan 8.290 nan 0.000 0.484 65 A N 0.514 123.316 122.820 -0.030 0.000 2.584 65 A HA 0.473 4.777 4.320 -0.027 0.000 0.239 65 A C 0.367 177.930 177.584 -0.035 0.000 1.043 65 A CA 0.765 52.771 52.037 -0.051 0.000 0.756 65 A CB -0.204 18.754 19.000 -0.070 0.000 0.963 65 A HN 0.629 nan 8.150 nan 0.000 0.511 66 M N 1.143 120.717 119.600 -0.042 0.000 2.667 66 M HA 0.557 5.020 4.480 -0.027 0.000 0.286 66 M C -0.112 176.169 176.300 -0.032 0.000 1.270 66 M CA -0.368 54.924 55.300 -0.013 0.000 0.826 66 M CB 2.823 35.425 32.600 0.003 0.000 1.743 66 M HN 0.744 nan 8.290 nan 0.000 0.460 75 R N 2.151 122.640 120.500 -0.018 0.000 2.140 75 R HA 0.256 4.580 4.340 -0.027 0.000 0.200 75 R C 2.480 178.769 176.300 -0.017 0.000 1.069 75 R CA 1.501 57.592 56.100 -0.015 0.000 1.088 75 R CB -1.325 28.968 30.300 -0.012 0.000 1.012 75 R HN 0.160 nan 8.270 nan 0.000 0.500 76 I N 0.248 120.807 120.570 -0.019 0.000 2.142 76 I HA -0.040 4.114 4.170 -0.027 0.000 0.240 76 I C 1.281 177.383 176.117 -0.025 0.000 1.078 76 I CA 1.753 63.039 61.300 -0.023 0.000 1.343 76 I CB -0.932 37.052 38.000 -0.026 0.000 1.046 76 I HN 0.040 nan 8.210 nan 0.000 0.405 77 N N 0.647 119.331 118.700 -0.027 0.000 2.405 77 N HA -0.123 4.601 4.740 -0.027 0.000 0.189 77 N C 1.604 177.099 175.510 -0.024 0.000 1.021 77 N CA 1.235 54.267 53.050 -0.029 0.000 0.891 77 N CB -0.280 38.185 38.487 -0.037 0.000 0.955 77 N HN 0.488 nan 8.380 nan 0.000 0.443 78 L N -0.986 120.225 121.223 -0.021 0.000 2.189 78 L HA 0.134 4.458 4.340 -0.027 0.000 0.199 78 L C 2.215 179.077 176.870 -0.014 0.000 1.074 78 L CA 0.684 55.513 54.840 -0.018 0.000 0.783 78 L CB -0.771 41.278 42.059 -0.016 0.000 0.955 78 L HN 0.087 nan 8.230 nan 0.000 0.460 79 A N 0.765 123.576 122.820 -0.014 0.000 1.915 79 A HA -0.265 4.039 4.320 -0.027 0.000 0.220 79 A C 2.183 179.761 177.584 -0.009 0.000 1.198 79 A CA 1.980 54.010 52.037 -0.011 0.000 0.647 79 A CB -0.920 18.072 19.000 -0.015 0.000 0.825 79 A HN 0.396 nan 8.150 nan 0.000 0.456 80 L N -1.468 119.748 121.223 -0.012 0.000 2.023 80 L HA -0.123 4.201 4.340 -0.027 0.000 0.205 80 L C 3.079 179.952 176.870 0.005 0.000 1.073 80 L CA 1.106 55.944 54.840 -0.004 0.000 0.745 80 L CB -0.726 41.328 42.059 -0.009 0.000 0.900 80 L HN 0.439 nan 8.230 nan 0.000 0.435 81 A N -0.322 122.496 122.820 -0.003 0.000 2.070 81 A HA -0.187 4.117 4.320 -0.027 0.000 0.220 81 A C 2.118 179.703 177.584 0.002 0.000 1.159 81 A CA 1.336 53.372 52.037 -0.001 0.000 0.656 81 A CB -0.353 18.639 19.000 -0.013 0.000 0.800 81 A HN 0.442 nan 8.150 nan 0.000 0.453 82 E N -0.201 119.999 120.200 -0.001 0.000 2.015 82 E HA -0.087 4.247 4.350 -0.027 0.000 0.191 82 E C 2.420 179.021 176.600 0.003 0.000 0.991 82 E CA 0.939 57.339 56.400 -0.000 0.000 0.802 82 E CB -0.311 29.388 29.700 -0.002 0.000 0.759 82 E HN 0.580 nan 8.360 nan 0.000 0.447 83 A N 1.513 124.336 122.820 0.005 0.000 1.927 83 A HA -0.272 4.031 4.320 -0.027 0.000 0.220 83 A C 2.387 179.976 177.584 0.008 0.000 1.185 83 A CA 2.151 54.191 52.037 0.006 0.000 0.639 83 A CB -0.906 18.100 19.000 0.011 0.000 0.820 83 A HN 0.339 nan 8.150 nan 0.000 0.451 84 A N -0.706 122.128 122.820 0.023 0.000 1.908 84 A HA -0.209 4.095 4.320 -0.027 0.000 0.218 84 A C 2.009 179.607 177.584 0.024 0.000 1.181 84 A CA 1.724 53.783 52.037 0.036 0.000 0.627 84 A CB -0.516 18.514 19.000 0.050 0.000 0.818 84 A HN 0.624 nan 8.150 nan 0.000 0.445 85 E N -0.418 119.790 120.200 0.014 0.000 2.072 85 E HA -0.119 4.215 4.350 -0.027 0.000 0.191 85 E C 2.427 179.030 176.600 0.005 0.000 0.985 85 E CA 0.927 57.332 56.400 0.009 0.000 0.801 85 E CB -0.297 29.405 29.700 0.004 0.000 0.750 85 E HN 0.597 nan 8.360 nan 0.000 0.452 86 A N 1.452 124.272 122.820 0.001 0.000 1.834 86 A HA -0.175 4.129 4.320 -0.027 0.000 0.216 86 A C 2.197 179.777 177.584 -0.008 0.000 1.203 86 A CA 1.335 53.370 52.037 -0.003 0.000 0.621 86 A CB -0.857 18.140 19.000 -0.005 0.000 0.841 86 A HN 0.165 nan 8.150 nan 0.000 0.446 87 L N -0.994 120.220 121.223 -0.016 0.000 2.478 87 L HA 0.173 4.497 4.340 -0.027 0.000 0.223 87 L C 1.455 178.316 176.870 -0.016 0.000 1.140 87 L CA 0.552 55.373 54.840 -0.030 0.000 0.842 87 L CB -0.379 41.638 42.059 -0.070 0.000 0.953 87 L HN 0.698 nan 8.230 nan 0.000 0.452 88 G N 0.924 109.727 108.800 0.005 0.000 2.303 88 G HA2 -0.166 3.778 3.960 -0.027 0.000 0.260 88 G HA3 -0.166 3.778 3.960 -0.027 0.000 0.260 88 G C -0.111 174.818 174.900 0.048 0.000 1.106 88 G CA 0.116 45.230 45.100 0.024 0.000 0.900 88 G HN 0.252 nan 8.290 nan 0.000 0.495 89 V N -2.343 117.610 119.914 0.066 0.000 3.074 89 V HA 1.009 5.113 4.120 -0.027 0.000 0.314 89 V C 1.063 177.252 176.094 0.160 0.000 1.117 89 V CA -0.479 61.902 62.300 0.135 0.000 1.014 89 V CB 1.535 33.455 31.823 0.162 0.000 1.057 89 V HN 1.476 nan 8.190 nan 0.000 0.438 90 G N 1.416 110.346 108.800 0.216 0.000 2.630 90 G HA2 0.438 4.381 3.960 -0.027 0.000 0.236 90 G HA3 0.438 4.381 3.960 -0.027 0.000 0.236 90 G C -0.553 174.438 174.900 0.152 0.000 1.248 90 G CA 0.028 45.244 45.100 0.194 0.000 0.844 90 G HN 1.363 nan 8.290 nan 0.000 0.588 91 M N 1.677 121.330 119.600 0.088 0.000 2.378 91 M HA 0.524 4.988 4.480 -0.027 0.000 0.289 91 M C -0.882 175.423 176.300 0.007 0.000 1.136 91 M CA -0.703 54.627 55.300 0.050 0.000 0.917 91 M CB 1.945 34.564 32.600 0.032 0.000 1.669 91 M HN 0.367 nan 8.290 nan 0.000 0.461 92 M N 5.494 125.090 119.600 -0.008 0.000 2.113 92 M HA 0.355 4.819 4.480 -0.027 0.000 0.352 92 M C -1.029 175.233 176.300 -0.064 0.000 1.170 92 M CA -0.905 54.368 55.300 -0.045 0.000 1.053 92 M CB 0.906 33.484 32.600 -0.036 0.000 1.601 92 M HN 0.527 nan 8.290 nan 0.000 0.459 93 L N 2.481 123.647 121.223 -0.094 0.000 2.439 93 L HA 0.315 4.639 4.340 -0.027 0.000 0.269 93 L C 1.274 178.074 176.870 -0.118 0.000 1.179 93 L CA 0.419 55.197 54.840 -0.102 0.000 0.828 93 L CB 0.007 41.991 42.059 -0.124 0.000 1.106 93 L HN 0.832 nan 8.230 nan 0.000 0.467 94 G N 1.402 110.139 108.800 -0.105 0.000 2.647 94 G HA2 0.058 4.002 3.960 -0.027 0.000 0.234 94 G HA3 0.058 4.002 3.960 -0.027 0.000 0.234 94 G C 0.330 175.131 174.900 -0.165 0.000 1.252 94 G CA -0.264 44.762 45.100 -0.124 0.000 0.846 94 G HN 0.712 nan 8.290 nan 0.000 0.589 95 S N -0.315 115.266 115.700 -0.199 0.000 2.626 95 S HA 0.192 4.646 4.470 -0.027 0.000 0.303 95 S C 1.370 175.855 174.600 -0.192 0.000 1.256 95 S CA 0.348 58.403 58.200 -0.241 0.000 1.069 95 S CB 0.138 63.194 63.200 -0.240 0.000 0.807 95 S HN 1.186 nan 8.310 nan 0.000 0.500 96 G N 5.228 113.901 108.800 -0.212 0.000 3.782 96 G HA2 0.107 4.050 3.960 -0.027 0.000 0.288 96 G HA3 0.107 4.050 3.960 -0.027 0.000 0.288 96 G C 1.129 175.913 174.900 -0.193 0.000 1.300 96 G CA -0.510 44.479 45.100 -0.186 0.000 1.261 96 G HN 0.666 nan 8.290 nan 0.000 0.591 97 R N 0.414 120.813 120.500 -0.168 0.000 2.082 97 R HA -0.097 4.227 4.340 -0.027 0.000 0.228 97 R C 2.472 178.716 176.300 -0.094 0.000 1.140 97 R CA 1.440 57.459 56.100 -0.134 0.000 0.920 97 R CB -0.446 29.811 30.300 -0.072 0.000 0.828 97 R HN 0.405 nan 8.270 nan 0.000 0.430 98 I N 1.623 122.153 120.570 -0.067 0.000 2.178 98 I HA -0.390 3.764 4.170 -0.027 0.000 0.243 98 I C 2.456 178.537 176.117 -0.059 0.000 1.019 98 I CA 1.509 62.779 61.300 -0.050 0.000 1.294 98 I CB -0.965 37.004 38.000 -0.053 0.000 0.996 98 I HN 0.214 nan 8.210 nan 0.000 0.415 99 L N -0.022 121.148 121.223 -0.088 0.000 2.012 99 L HA -0.184 4.140 4.340 -0.027 0.000 0.210 99 L C 2.486 179.302 176.870 -0.089 0.000 1.073 99 L CA 1.926 56.713 54.840 -0.089 0.000 0.748 99 L CB -1.025 40.967 42.059 -0.113 0.000 0.891 99 L HN 0.325 nan 8.230 nan 0.000 0.431 100 L N -0.887 120.253 121.223 -0.138 0.000 2.079 100 L HA -0.262 4.061 4.340 -0.027 0.000 0.210 100 L C 2.510 179.370 176.870 -0.017 0.000 1.081 100 L CA 1.390 56.146 54.840 -0.139 0.000 0.752 100 L CB -0.367 41.458 42.059 -0.390 0.000 0.896 100 L HN 0.390 nan 8.230 nan 0.000 0.433 101 E N 0.026 120.226 120.200 -0.000 0.000 2.046 101 E HA -0.087 4.246 4.350 -0.027 0.000 0.190 101 E C 0.626 177.242 176.600 0.027 0.000 0.982 101 E CA 0.796 57.224 56.400 0.048 0.000 0.800 101 E CB 0.246 29.970 29.700 0.040 0.000 0.756 101 E HN 0.424 nan 8.360 nan 0.000 0.449 102 R N -0.952 119.551 120.500 0.004 0.000 2.748 102 R HA 0.195 4.519 4.340 -0.027 0.000 0.283 102 R C -1.780 174.513 176.300 -0.012 0.000 1.507 102 R CA -0.716 55.383 56.100 -0.001 0.000 1.666 102 R CB 1.145 31.443 30.300 -0.004 0.000 1.237 102 R HN 0.036 nan 8.270 nan 0.000 0.633 103 P HA -0.228 nan 4.420 nan 0.000 0.217 103 P C 0.284 177.571 177.300 -0.021 0.000 1.151 103 P CA 1.431 64.521 63.100 -0.018 0.000 0.849 103 P CB -0.130 31.565 31.700 -0.008 0.000 0.787 104 E N -0.383 119.809 120.200 -0.015 0.000 2.323 104 E HA 0.507 4.841 4.350 -0.027 0.000 0.313 104 E C 0.225 176.814 176.600 -0.017 0.000 1.236 104 E CA 0.494 56.885 56.400 -0.015 0.000 1.333 104 E CB -0.745 28.950 29.700 -0.009 0.000 1.138 104 E HN 0.547 nan 8.360 nan 0.000 0.492 112 R N 1.939 122.417 120.500 -0.037 0.000 2.397 112 R HA -0.098 4.226 4.340 -0.027 0.000 0.213 112 R C 1.619 177.905 176.300 -0.024 0.000 1.102 112 R CA 2.209 58.289 56.100 -0.033 0.000 1.040 112 R CB -0.410 29.867 30.300 -0.038 0.000 0.844 112 R HN 0.747 nan 8.270 nan 0.000 0.478 113 K N -1.949 118.437 120.400 -0.022 0.000 2.352 113 K HA 0.129 4.433 4.320 -0.027 0.000 0.194 113 K C 1.182 177.773 176.600 -0.014 0.000 1.038 113 K CA 0.706 56.983 56.287 -0.017 0.000 1.023 113 K CB 0.079 32.569 32.500 -0.017 0.000 0.840 113 K HN 0.032 nan 8.250 nan 0.000 0.519 114 V N -0.311 119.594 119.914 -0.015 0.000 3.541 114 V HA 0.334 4.438 4.120 -0.027 0.000 0.267 114 V C 0.723 176.811 176.094 -0.010 0.000 1.213 114 V CA 0.412 62.705 62.300 -0.012 0.000 1.149 114 V CB -0.582 31.234 31.823 -0.013 0.000 0.822 114 V HN 0.341 nan 8.190 nan 0.000 0.462 115 A N -0.309 122.505 122.820 -0.011 0.000 3.200 115 A HA 0.549 4.853 4.320 -0.027 0.000 0.274 115 A C -1.768 175.809 177.584 -0.011 0.000 1.220 115 A CA -0.574 51.458 52.037 -0.008 0.000 0.904 115 A CB 0.373 19.368 19.000 -0.007 0.000 1.415 115 A HN 0.152 nan 8.150 nan 0.000 0.630 116 P HA -0.285 nan 4.420 nan 0.000 0.210 116 P C 1.098 178.392 177.300 -0.009 0.000 1.151 116 P CA 2.300 65.394 63.100 -0.010 0.000 0.949 116 P CB 0.117 31.813 31.700 -0.007 0.000 0.786 117 K N -1.656 118.741 120.400 -0.004 0.000 2.358 117 K HA 0.457 4.761 4.320 -0.027 0.000 0.197 117 K C 1.009 177.611 176.600 0.003 0.000 1.025 117 K CA -0.118 56.168 56.287 -0.002 0.000 1.104 117 K CB 0.016 32.517 32.500 0.002 0.000 0.855 117 K HN -0.005 nan 8.250 nan 0.000 0.531 118 A N 1.968 124.790 122.820 0.004 0.000 2.567 118 A HA 0.023 4.327 4.320 -0.027 0.000 0.236 118 A C 0.032 177.620 177.584 0.007 0.000 1.088 118 A CA -0.218 51.826 52.037 0.012 0.000 0.776 118 A CB 0.017 19.024 19.000 0.013 0.000 1.033 118 A HN 0.365 nan 8.150 nan 0.000 0.513 119 L N 2.236 123.473 121.223 0.024 0.000 2.302 119 L HA 0.341 4.665 4.340 -0.027 0.000 0.285 119 L C -0.433 176.434 176.870 -0.006 0.000 1.090 119 L CA 0.141 54.987 54.840 0.011 0.000 0.866 119 L CB -0.480 41.613 42.059 0.056 0.000 1.244 119 L HN 0.503 nan 8.230 nan 0.000 0.435 120 L N 6.142 127.339 121.223 -0.043 0.000 2.265 120 L HA 0.355 4.679 4.340 -0.027 0.000 0.288 120 L C -0.306 176.496 176.870 -0.113 0.000 1.058 120 L CA -0.425 54.374 54.840 -0.067 0.000 0.809 120 L CB 1.195 43.206 42.059 -0.080 0.000 1.179 120 L HN 0.495 nan 8.230 nan 0.000 0.429 121 I N 3.042 123.544 120.570 -0.114 0.000 2.336 121 I HA 0.383 4.537 4.170 -0.027 0.000 0.292 121 I C 0.549 176.549 176.117 -0.194 0.000 0.991 121 I CA -0.028 61.173 61.300 -0.166 0.000 1.227 121 I CB 1.721 39.639 38.000 -0.136 0.000 1.366 121 I HN 0.588 nan 8.210 nan 0.000 0.466 122 A N 5.371 128.026 122.820 -0.275 0.000 2.327 122 A HA 0.415 4.718 4.320 -0.027 0.000 0.283 122 A C -0.198 177.194 177.584 -0.319 0.000 1.127 122 A CA -0.455 51.402 52.037 -0.300 0.000 0.810 122 A CB 0.294 19.067 19.000 -0.379 0.000 1.066 122 A HN 0.840 nan 8.150 nan 0.000 0.492 123 N N 2.748 121.267 118.700 -0.301 0.000 2.479 123 N HA 0.430 5.154 4.740 -0.027 0.000 0.261 123 N C 0.181 175.452 175.510 -0.397 0.000 0.979 123 N CA -0.492 52.358 53.050 -0.333 0.000 0.930 123 N CB 0.773 39.094 38.487 -0.277 0.000 1.172 123 N HN 0.684 nan 8.380 nan 0.000 0.499 124 L N 2.887 123.845 121.223 -0.442 0.000 2.379 124 L HA 0.450 4.773 4.340 -0.027 0.000 0.190 124 L C 0.481 177.164 176.870 -0.311 0.000 1.111 124 L CA 0.682 55.314 54.840 -0.346 0.000 0.820 124 L CB 0.202 42.091 42.059 -0.283 0.000 1.046 124 L HN 0.810 nan 8.230 nan 0.000 0.485 125 G N 0.153 108.919 108.800 -0.056 0.000 2.992 125 G HA2 -0.159 3.785 3.960 -0.027 0.000 0.677 125 G HA3 -0.159 3.785 3.960 -0.027 0.000 0.677 125 G C -0.126 175.019 174.900 0.409 0.000 1.191 125 G CA -0.099 45.209 45.100 0.347 0.000 1.178 125 G HN 0.150 nan 8.290 nan 0.000 0.506 126 L N 2.010 123.464 121.223 0.385 0.000 2.081 126 L HA 0.077 4.401 4.340 -0.027 0.000 0.212 126 L C 2.824 179.662 176.870 -0.053 0.000 1.080 126 L CA 3.621 58.507 54.840 0.076 0.000 0.754 126 L CB -0.183 41.918 42.059 0.070 0.000 0.893 126 L HN 1.257 nan 8.230 nan 0.000 0.433 127 A N -1.926 120.846 122.820 -0.079 0.000 2.209 127 A HA -0.101 4.203 4.320 -0.027 0.000 0.212 127 A C 2.016 179.551 177.584 -0.082 0.000 1.158 127 A CA 0.724 52.607 52.037 -0.258 0.000 0.742 127 A CB -0.330 18.345 19.000 -0.542 0.000 0.790 127 A HN 0.550 nan 8.150 nan 0.000 0.472 128 Q N -0.077 119.766 119.800 0.072 0.000 2.245 128 Q HA 0.024 4.348 4.340 -0.027 0.000 0.201 128 Q C 1.801 177.935 176.000 0.224 0.000 0.955 128 Q CA 0.642 56.567 55.803 0.203 0.000 0.870 128 Q CB -0.427 28.499 28.738 0.313 0.000 0.945 128 Q HN 0.747 nan 8.270 nan 0.000 0.461 129 L N 0.597 121.899 121.223 0.132 0.000 2.468 129 L HA -0.230 4.094 4.340 -0.027 0.000 0.225 129 L C 2.340 179.198 176.870 -0.018 0.000 1.139 129 L CA 0.951 55.822 54.840 0.051 0.000 0.792 129 L CB -0.574 41.424 42.059 -0.102 0.000 0.916 129 L HN 0.197 nan 8.230 nan 0.000 0.446 130 R N 0.957 121.428 120.500 -0.048 0.000 2.075 130 R HA -0.136 4.188 4.340 -0.027 0.000 0.232 130 R C 1.988 178.215 176.300 -0.122 0.000 1.126 130 R CA 1.635 57.683 56.100 -0.087 0.000 0.963 130 R CB -0.157 30.079 30.300 -0.105 0.000 0.858 130 R HN 0.518 nan 8.270 nan 0.000 0.435 131 R N -1.439 118.941 120.500 -0.199 0.000 2.397 131 R HA 0.202 4.526 4.340 -0.027 0.000 0.241 131 R C -0.284 175.625 176.300 -0.651 0.000 0.914 131 R CA 0.052 55.899 56.100 -0.421 0.000 1.071 131 R CB 0.239 30.200 30.300 -0.565 0.000 1.116 131 R HN 0.062 nan 8.270 nan 0.000 0.524 132 Y N -0.134 120.171 120.300 0.008 0.000 2.549 132 Y HA 0.757 5.293 4.550 -0.024 0.000 0.339 132 Y C 0.836 176.756 175.900 0.035 0.000 1.053 132 Y CA -1.046 57.071 58.100 0.029 0.000 1.105 132 Y CB 1.950 40.442 38.460 0.052 0.000 1.258 132 Y HN 0.036 nan 8.280 nan 0.000 0.478 133 G N 0.087 109.018 108.800 0.219 0.000 2.818 133 G HA2 0.408 4.352 3.960 -0.027 0.000 0.286 133 G HA3 0.408 4.352 3.960 -0.027 0.000 0.286 133 G C -0.040 174.945 174.900 0.142 0.000 1.364 133 G CA -1.061 44.117 45.100 0.129 0.000 0.938 133 G HN 0.609 nan 8.290 nan 0.000 0.490 134 R N -0.256 120.302 120.500 0.098 0.000 2.136 134 R HA -0.166 4.158 4.340 -0.027 0.000 0.242 134 R C 1.807 178.161 176.300 0.089 0.000 1.131 134 R CA 2.261 58.413 56.100 0.086 0.000 0.937 134 R CB -0.511 29.812 30.300 0.038 0.000 0.863 134 R HN 0.574 nan 8.270 nan 0.000 0.435 135 D N 0.140 120.583 120.400 0.072 0.000 2.190 135 D HA -0.149 4.475 4.640 -0.027 0.000 0.200 135 D C 1.222 177.566 176.300 0.073 0.000 0.992 135 D CA 1.856 55.894 54.000 0.063 0.000 0.854 135 D CB -0.162 40.668 40.800 0.050 0.000 0.936 135 D HN 0.415 nan 8.370 nan 0.000 0.462 136 D N -0.840 119.618 120.400 0.097 0.000 2.240 136 D HA -0.024 4.600 4.640 -0.027 0.000 0.206 136 D C 1.616 177.928 176.300 0.020 0.000 0.963 136 D CA 0.042 54.087 54.000 0.074 0.000 0.863 136 D CB 0.077 40.980 40.800 0.171 0.000 0.973 136 D HN 0.008 nan 8.370 nan 0.000 0.501 137 L N 0.900 122.171 121.223 0.080 0.000 1.955 137 L HA -0.143 4.181 4.340 -0.027 0.000 0.213 137 L C 2.235 179.168 176.870 0.105 0.000 1.072 137 L CA 1.515 56.410 54.840 0.092 0.000 0.755 137 L CB -1.163 41.023 42.059 0.211 0.000 0.888 137 L HN 0.145 nan 8.230 nan 0.000 0.432 138 L N -1.004 120.327 121.223 0.180 0.000 1.963 138 L HA -0.336 3.988 4.340 -0.027 0.000 0.220 138 L C 2.668 179.585 176.870 0.078 0.000 1.076 138 L CA 2.027 56.984 54.840 0.195 0.000 0.772 138 L CB -0.869 41.267 42.059 0.129 0.000 0.892 138 L HN 0.339 nan 8.230 nan 0.000 0.435 139 R N 0.259 120.781 120.500 0.038 0.000 2.140 139 R HA -0.268 4.056 4.340 -0.027 0.000 0.250 139 R C 2.350 178.623 176.300 -0.045 0.000 1.150 139 R CA 2.144 58.243 56.100 -0.001 0.000 0.966 139 R CB -0.403 29.897 30.300 0.001 0.000 0.869 139 R HN 0.256 nan 8.270 nan 0.000 0.445 140 L N 0.319 121.496 121.223 -0.077 0.000 2.056 140 L HA -0.118 4.206 4.340 -0.027 0.000 0.207 140 L C 2.151 178.919 176.870 -0.170 0.000 1.078 140 L CA 1.473 56.229 54.840 -0.141 0.000 0.749 140 L CB -0.331 41.612 42.059 -0.194 0.000 0.901 140 L HN 0.068 nan 8.230 nan 0.000 0.433 141 V N 0.061 119.857 119.914 -0.197 0.000 2.233 141 V HA -0.319 3.785 4.120 -0.027 0.000 0.247 141 V C 2.428 178.422 176.094 -0.167 0.000 1.050 141 V CA 2.169 64.298 62.300 -0.285 0.000 1.010 141 V CB -0.890 30.667 31.823 -0.444 0.000 0.637 141 V HN 0.507 nan 8.190 nan 0.000 0.444 142 E N -0.188 119.962 120.200 -0.083 0.000 2.019 142 E HA -0.325 4.008 4.350 -0.027 0.000 0.208 142 E C 2.242 178.805 176.600 -0.062 0.000 1.030 142 E CA 1.860 58.230 56.400 -0.050 0.000 0.856 142 E CB -0.408 29.282 29.700 -0.016 0.000 0.781 142 E HN 0.366 nan 8.360 nan 0.000 0.471 143 M N 0.502 120.066 119.600 -0.060 0.000 2.192 143 M HA -0.224 4.240 4.480 -0.027 0.000 0.256 143 M C 2.051 178.310 176.300 -0.069 0.000 1.076 143 M CA 1.520 56.785 55.300 -0.058 0.000 1.075 143 M CB -0.240 32.326 32.600 -0.057 0.000 1.368 143 M HN 0.161 nan 8.290 nan 0.000 0.406 144 L N -1.275 119.892 121.223 -0.092 0.000 2.253 144 L HA 0.025 4.349 4.340 -0.027 0.000 0.205 144 L C 0.281 177.095 176.870 -0.093 0.000 1.078 144 L CA 0.314 55.093 54.840 -0.100 0.000 0.805 144 L CB 0.294 42.273 42.059 -0.133 0.000 0.963 144 L HN 0.280 nan 8.230 nan 0.000 0.459 145 E N -0.564 119.575 120.200 -0.101 0.000 6.122 145 E HA 0.018 4.352 4.350 -0.027 0.000 0.189 145 E C -0.930 175.610 176.600 -0.101 0.000 1.091 145 E CA 0.492 56.842 56.400 -0.084 0.000 1.400 145 E CB -0.746 28.917 29.700 -0.061 0.000 0.966 145 E HN 0.357 nan 8.360 nan 0.000 0.345 146 A N 2.692 125.433 122.820 -0.132 0.000 2.574 146 A HA 0.610 4.914 4.320 -0.027 0.000 0.297 146 A C -0.209 177.254 177.584 -0.202 0.000 1.062 146 A CA -0.347 51.585 52.037 -0.176 0.000 0.686 146 A CB 1.418 20.276 19.000 -0.236 0.000 1.285 146 A HN 0.256 nan 8.150 nan 0.000 0.403 147 D N 0.240 120.529 120.400 -0.186 0.000 2.338 147 D HA 0.450 5.074 4.640 -0.027 0.000 0.208 147 D C 0.716 176.907 176.300 -0.181 0.000 0.997 147 D CA 1.439 55.358 54.000 -0.135 0.000 0.880 147 D CB 0.607 41.346 40.800 -0.102 0.000 0.980 147 D HN 0.856 nan 8.370 nan 0.000 0.509 148 A N 0.078 122.723 122.820 -0.291 0.000 2.569 148 A HA 0.674 4.978 4.320 -0.027 0.000 0.290 148 A C -1.883 175.405 177.584 -0.493 0.000 1.136 148 A CA -0.614 51.210 52.037 -0.355 0.000 0.710 148 A CB 1.256 20.117 19.000 -0.231 0.000 1.303 148 A HN 0.098 nan 8.150 nan 0.000 0.413 149 L N 1.206 122.149 121.223 -0.467 0.000 2.343 149 L HA 0.701 5.024 4.340 -0.027 0.000 0.278 149 L C -0.200 176.476 176.870 -0.324 0.000 0.996 149 L CA -0.566 53.978 54.840 -0.494 0.000 0.831 149 L CB 1.371 43.136 42.059 -0.491 0.000 1.232 149 L HN 0.948 nan 8.230 nan 0.000 0.413 150 A N 5.139 127.772 122.820 -0.312 0.000 2.287 150 A HA 0.622 4.926 4.320 -0.027 0.000 0.317 150 A C -1.160 176.292 177.584 -0.220 0.000 1.220 150 A CA -0.363 51.576 52.037 -0.164 0.000 0.835 150 A CB 0.316 19.265 19.000 -0.086 0.000 1.180 150 A HN 0.609 nan 8.150 nan 0.000 0.500 151 F N 2.889 122.838 119.950 -0.002 0.000 2.391 151 F HA 0.283 4.805 4.527 -0.008 0.000 0.359 151 F C 1.232 177.105 175.800 0.123 0.000 1.122 151 F CA -0.036 57.978 58.000 0.023 0.000 1.120 151 F CB 0.955 39.990 39.000 0.059 0.000 1.142 151 F HN 0.726 nan 8.300 nan 0.000 0.483 152 H N 1.708 120.890 119.070 0.186 0.000 2.548 152 H HA 0.651 5.188 4.556 -0.031 0.000 0.331 152 H C -0.980 174.438 175.328 0.150 0.000 1.093 152 H CA -1.181 54.935 56.048 0.115 0.000 1.367 152 H CB 1.753 31.530 29.762 0.025 0.000 1.455 152 H HN 0.500 nan 8.280 nan 0.000 0.519 153 V N 4.041 124.067 119.914 0.187 0.000 2.667 153 V HA 0.350 4.454 4.120 -0.027 0.000 0.308 153 V C -0.894 175.218 176.094 0.030 0.000 1.048 153 V CA -0.673 61.734 62.300 0.179 0.000 0.928 153 V CB 1.622 33.565 31.823 0.200 0.000 1.004 153 V HN 1.129 nan 8.190 nan 0.000 0.444 154 N N 4.843 123.560 118.700 0.029 0.000 2.820 154 N HA 0.192 4.916 4.740 -0.027 0.000 0.209 154 N C -2.546 172.802 175.510 -0.270 0.000 1.406 154 N CA -0.598 52.375 53.050 -0.128 0.000 0.916 154 N CB 0.808 39.194 38.487 -0.168 0.000 1.532 154 N HN 0.415 nan 8.380 nan 0.000 0.559 155 P HA -0.149 nan 4.420 nan 0.000 0.219 155 P C 1.469 178.578 177.300 -0.318 0.000 1.146 155 P CA 0.474 63.089 63.100 -0.809 0.000 0.808 155 P CB 0.901 32.058 31.700 -0.905 0.000 0.779 156 L N -0.136 120.923 121.223 -0.273 0.000 2.095 156 L HA -0.115 4.209 4.340 -0.027 0.000 0.204 156 L C 2.821 179.569 176.870 -0.203 0.000 1.080 156 L CA 1.625 56.333 54.840 -0.220 0.000 0.759 156 L CB -0.792 41.105 42.059 -0.270 0.000 0.914 156 L HN -0.024 nan 8.230 nan 0.000 0.439 157 Q N -0.175 119.476 119.800 -0.249 0.000 2.152 157 Q HA -0.263 4.061 4.340 -0.027 0.000 0.206 157 Q C 1.835 177.833 176.000 -0.004 0.000 0.985 157 Q CA 1.964 57.712 55.803 -0.093 0.000 0.863 157 Q CB 0.037 28.766 28.738 -0.014 0.000 0.904 157 Q HN 0.459 nan 8.270 nan 0.000 0.422 158 E N -0.028 120.173 120.200 0.002 0.000 2.072 158 E HA -0.124 4.210 4.350 -0.027 0.000 0.190 158 E C 1.925 178.566 176.600 0.069 0.000 0.982 158 E CA 1.088 57.538 56.400 0.083 0.000 0.803 158 E CB -0.216 29.605 29.700 0.200 0.000 0.755 158 E HN 0.527 nan 8.360 nan 0.000 0.453 159 A N 0.906 123.745 122.820 0.032 0.000 1.969 159 A HA -0.080 4.224 4.320 -0.027 0.000 0.218 159 A C 2.485 180.096 177.584 0.045 0.000 1.169 159 A CA 0.991 53.052 52.037 0.040 0.000 0.635 159 A CB -0.305 18.701 19.000 0.009 0.000 0.810 159 A HN 0.113 nan 8.150 nan 0.000 0.445 160 V N 0.130 120.061 119.914 0.029 0.000 2.649 160 V HA -0.107 3.997 4.120 -0.027 0.000 0.248 160 V C 1.806 177.906 176.094 0.009 0.000 1.054 160 V CA 1.463 63.783 62.300 0.034 0.000 1.073 160 V CB -0.609 31.224 31.823 0.017 0.000 0.699 160 V HN 0.775 nan 8.190 nan 0.000 0.463 161 Q N 1.832 121.645 119.800 0.021 0.000 3.181 161 Q HA 0.109 4.433 4.340 -0.027 0.000 0.293 161 Q C -0.191 175.833 176.000 0.040 0.000 1.406 161 Q CA -0.439 55.374 55.803 0.018 0.000 1.026 161 Q CB -0.253 28.527 28.738 0.069 0.000 1.630 161 Q HN 0.516 nan 8.270 nan 0.000 0.553 162 R N 1.193 121.717 120.500 0.039 0.000 4.082 162 R HA -0.162 4.162 4.340 -0.027 0.000 0.210 162 R C 0.303 176.639 176.300 0.058 0.000 0.488 162 R CA 0.775 56.908 56.100 0.056 0.000 0.946 162 R CB -0.408 29.928 30.300 0.061 0.000 0.976 162 R HN 0.621 nan 8.270 nan 0.000 0.301 163 G N 1.325 110.167 108.800 0.069 0.000 3.212 163 G HA2 0.131 4.075 3.960 -0.027 0.000 0.188 163 G HA3 0.131 4.075 3.960 -0.027 0.000 0.188 163 G C -1.094 173.844 174.900 0.064 0.000 1.254 163 G CA -0.509 44.634 45.100 0.071 0.000 0.957 163 G HN 0.511 nan 8.290 nan 0.000 0.596 164 D N -1.179 119.255 120.400 0.057 0.000 2.350 164 D HA 0.446 5.070 4.640 -0.027 0.000 0.249 164 D C 0.266 176.615 176.300 0.082 0.000 1.119 164 D CA 0.377 54.400 54.000 0.038 0.000 0.886 164 D CB 1.410 42.208 40.800 -0.004 0.000 1.195 164 D HN 0.267 nan 8.370 nan 0.000 0.437 165 T N 2.611 117.228 114.554 0.104 0.000 4.168 165 T HA 0.046 4.380 4.350 -0.027 0.000 0.322 165 T C -1.138 173.723 174.700 0.268 0.000 0.896 165 T CA -0.528 61.725 62.100 0.254 0.000 0.949 165 T CB -0.322 68.653 68.868 0.178 0.000 1.125 165 T HN 0.420 nan 8.240 nan 0.000 0.504 166 D N 0.706 121.171 120.400 0.109 0.000 2.347 166 D HA 0.293 4.917 4.640 -0.027 0.000 0.235 166 D C -0.025 176.257 176.300 -0.030 0.000 1.149 166 D CA -0.351 53.693 54.000 0.072 0.000 0.850 166 D CB 0.433 41.232 40.800 -0.001 0.000 1.061 166 D HN 0.329 nan 8.370 nan 0.000 0.487 167 F N 2.135 122.085 119.950 -0.000 0.000 2.661 167 F HA 0.263 4.780 4.527 -0.016 0.000 0.306 167 F C 1.129 176.924 175.800 -0.007 0.000 1.094 167 F CA -0.594 57.404 58.000 -0.004 0.000 1.254 167 F CB 0.429 39.427 39.000 -0.003 0.000 1.040 167 F HN 0.031 nan 8.300 nan 0.000 0.562 168 R N 0.417 120.984 120.500 0.112 0.000 2.494 168 R HA 0.158 4.482 4.340 -0.027 0.000 0.291 168 R C 1.454 177.766 176.300 0.019 0.000 0.953 168 R CA 1.320 57.453 56.100 0.055 0.000 1.098 168 R CB -0.339 29.979 30.300 0.029 0.000 0.911 168 R HN 0.442 nan 8.270 nan 0.000 0.407 169 G N 2.418 111.231 108.800 0.021 0.000 2.189 169 G HA2 -0.332 3.612 3.960 -0.027 0.000 0.267 169 G HA3 -0.332 3.612 3.960 -0.027 0.000 0.267 169 G C 0.748 175.634 174.900 -0.022 0.000 0.975 169 G CA 0.300 45.399 45.100 -0.002 0.000 0.644 169 G HN 0.497 nan 8.290 nan 0.000 0.537 170 L N 0.082 121.291 121.223 -0.024 0.000 2.054 170 L HA -0.175 4.149 4.340 -0.027 0.000 0.220 170 L C 3.084 179.913 176.870 -0.067 0.000 1.081 170 L CA 2.545 57.352 54.840 -0.056 0.000 0.780 170 L CB -1.048 41.002 42.059 -0.015 0.000 0.893 170 L HN 0.311 nan 8.230 nan 0.000 0.438 171 V N -0.234 119.665 119.914 -0.026 0.000 2.283 171 V HA -0.184 3.920 4.120 -0.027 0.000 0.243 171 V C 2.513 178.585 176.094 -0.036 0.000 1.039 171 V CA 1.560 63.843 62.300 -0.028 0.000 1.016 171 V CB -0.605 31.221 31.823 0.004 0.000 0.650 171 V HN 0.550 nan 8.190 nan 0.000 0.449 172 E N 1.008 121.195 120.200 -0.023 0.000 2.085 172 E HA -0.302 4.032 4.350 -0.027 0.000 0.194 172 E C 2.089 178.668 176.600 -0.035 0.000 0.994 172 E CA 1.657 58.044 56.400 -0.022 0.000 0.801 172 E CB -0.694 28.999 29.700 -0.012 0.000 0.743 172 E HN 0.533 nan 8.360 nan 0.000 0.453 173 R N 0.850 121.321 120.500 -0.048 0.000 2.113 173 R HA -0.167 4.157 4.340 -0.027 0.000 0.231 173 R C 2.551 178.805 176.300 -0.077 0.000 1.129 173 R CA 1.586 57.649 56.100 -0.060 0.000 0.915 173 R CB -0.918 29.338 30.300 -0.073 0.000 0.837 173 R HN 0.238 nan 8.270 nan 0.000 0.430 174 L N 0.633 121.777 121.223 -0.131 0.000 1.997 174 L HA -0.263 4.061 4.340 -0.027 0.000 0.227 174 L C 2.231 179.063 176.870 -0.064 0.000 1.087 174 L CA 2.692 57.437 54.840 -0.157 0.000 0.797 174 L CB -1.159 40.766 42.059 -0.223 0.000 0.902 174 L HN 0.429 nan 8.230 nan 0.000 0.441 175 A N -1.319 121.475 122.820 -0.043 0.000 2.171 175 A HA -0.307 3.997 4.320 -0.027 0.000 0.223 175 A C 2.107 179.683 177.584 -0.013 0.000 1.166 175 A CA 2.353 54.380 52.037 -0.017 0.000 0.668 175 A CB -0.750 18.243 19.000 -0.011 0.000 0.807 175 A HN 0.828 nan 8.150 nan 0.000 0.475 176 E N -1.414 118.775 120.200 -0.019 0.000 2.290 176 E HA 0.013 4.346 4.350 -0.027 0.000 0.195 176 E C 1.737 178.331 176.600 -0.010 0.000 0.938 176 E CA 0.393 56.785 56.400 -0.013 0.000 1.018 176 E CB -0.891 28.801 29.700 -0.014 0.000 1.042 176 E HN 0.348 nan 8.360 nan 0.000 0.483 177 L N 1.742 122.959 121.223 -0.009 0.000 2.502 177 L HA -0.156 4.167 4.340 -0.027 0.000 0.224 177 L C 1.588 178.467 176.870 0.014 0.000 1.131 177 L CA 1.091 55.934 54.840 0.005 0.000 0.789 177 L CB -0.397 41.666 42.059 0.007 0.000 0.907 177 L HN 0.298 nan 8.230 nan 0.000 0.445 178 L N -0.016 121.210 121.223 0.006 0.000 2.563 178 L HA 0.141 4.465 4.340 -0.027 0.000 0.150 178 L C -1.088 175.773 176.870 -0.015 0.000 1.484 178 L CA -0.406 54.444 54.840 0.016 0.000 3.029 178 L CB -0.984 41.090 42.059 0.024 0.000 2.995 178 L HN 0.045 nan 8.230 nan 0.000 0.944 179 P HA -0.169 nan 4.420 nan 0.000 0.200 179 P C -0.491 176.756 177.300 -0.088 0.000 0.924 179 P CA 0.783 63.861 63.100 -0.036 0.000 1.021 179 P CB -0.342 31.341 31.700 -0.029 0.000 1.047 180 L N 6.905 128.043 121.223 -0.142 0.000 2.657 180 L HA 0.449 4.772 4.340 -0.027 0.000 0.240 180 L C -0.806 175.808 176.870 -0.427 0.000 1.151 180 L CA -1.660 52.990 54.840 -0.317 0.000 0.831 180 L CB -0.401 41.383 42.059 -0.460 0.000 1.539 180 L HN 0.149 nan 8.230 nan 0.000 0.511 181 P HA 0.083 nan 4.420 nan 0.000 0.249 181 P C -1.003 176.049 177.300 -0.413 0.000 1.229 181 P CA 0.470 63.297 63.100 -0.454 0.000 0.788 181 P CB 0.030 31.532 31.700 -0.330 0.000 1.072 182 F N -1.222 118.710 119.950 -0.029 0.000 2.675 182 F HA 0.710 5.219 4.527 -0.030 0.000 0.324 182 F C -2.690 173.082 175.800 -0.046 0.000 1.106 182 F CA -3.954 54.018 58.000 -0.046 0.000 0.970 182 F CB -0.930 38.029 39.000 -0.068 0.000 1.385 182 F HN -0.410 nan 8.300 nan 0.000 0.489 183 P HA 0.078 nan 4.420 nan 0.000 0.260 183 P C -0.793 176.628 177.300 0.202 0.000 1.172 183 P CA 0.246 63.416 63.100 0.116 0.000 0.760 183 P CB 0.796 32.487 31.700 -0.015 0.000 0.773 184 V N 4.995 125.004 119.914 0.158 0.000 2.555 184 V HA 0.565 4.668 4.120 -0.027 0.000 0.302 184 V C 0.477 176.632 176.094 0.102 0.000 1.038 184 V CA -0.680 61.712 62.300 0.153 0.000 0.887 184 V CB 1.503 33.476 31.823 0.251 0.000 0.991 184 V HN 0.572 nan 8.190 nan 0.000 0.434 185 M N 3.306 122.953 119.600 0.078 0.000 2.464 185 M HA 0.886 5.350 4.480 -0.027 0.000 0.308 185 M C -1.230 175.166 176.300 0.161 0.000 1.127 185 M CA -0.704 54.658 55.300 0.103 0.000 0.913 185 M CB 2.050 34.690 32.600 0.066 0.000 1.689 185 M HN 0.233 nan 8.290 nan 0.000 0.445 186 V N 1.695 121.709 119.914 0.166 0.000 2.837 186 V HA 0.707 4.811 4.120 -0.027 0.000 0.310 186 V C -0.268 175.914 176.094 0.146 0.000 1.059 186 V CA -0.522 61.886 62.300 0.180 0.000 1.004 186 V CB 1.704 33.615 31.823 0.147 0.000 1.045 186 V HN 0.911 nan 8.190 nan 0.000 0.465 187 K N 2.220 122.713 120.400 0.155 0.000 2.579 187 K HA 0.275 4.578 4.320 -0.027 0.000 0.257 187 K C -0.902 175.776 176.600 0.130 0.000 0.950 187 K CA -0.547 55.820 56.287 0.133 0.000 0.862 187 K CB 2.216 34.798 32.500 0.138 0.000 1.317 187 K HN 0.704 nan 8.250 nan 0.000 0.436 188 E N 1.516 121.776 120.200 0.100 0.000 2.855 188 E HA 0.151 4.484 4.350 -0.027 0.000 0.259 188 E C 0.600 177.250 176.600 0.083 0.000 1.390 188 E CA 0.331 56.783 56.400 0.087 0.000 1.069 188 E CB 1.291 31.050 29.700 0.099 0.000 1.172 188 E HN 0.462 nan 8.360 nan 0.000 0.668 189 V N -3.379 116.595 119.914 0.100 0.000 3.477 189 V HA 0.499 4.603 4.120 -0.027 0.000 0.297 189 V C 0.774 177.054 176.094 0.311 0.000 1.433 189 V CA 0.573 62.925 62.300 0.086 0.000 1.052 189 V CB 0.687 32.439 31.823 -0.117 0.000 0.895 189 V HN 0.721 nan 8.190 nan 0.000 0.438 190 G N 0.066 109.067 108.800 0.334 0.000 2.507 190 G HA2 -0.101 3.843 3.960 -0.027 0.000 0.205 190 G HA3 -0.101 3.843 3.960 -0.027 0.000 0.205 190 G C 0.105 175.133 174.900 0.214 0.000 0.996 190 G CA 0.198 45.497 45.100 0.331 0.000 0.776 190 G HN 0.563 nan 8.290 nan 0.000 0.532 191 H N 0.323 119.532 119.070 0.233 0.000 2.705 191 H HA 0.506 5.047 4.556 -0.025 0.000 0.269 191 H C 1.493 176.883 175.328 0.103 0.000 0.998 191 H CA 1.029 57.203 56.048 0.209 0.000 1.193 191 H CB 1.008 30.872 29.762 0.169 0.000 1.485 191 H HN 1.253 nan 8.280 nan 0.000 0.521 192 G N 0.387 109.276 108.800 0.148 0.000 2.755 192 G HA2 -0.200 3.744 3.960 -0.027 0.000 0.686 192 G HA3 -0.200 3.744 3.960 -0.027 0.000 0.686 192 G C -0.955 173.986 174.900 0.068 0.000 1.427 192 G CA -0.580 44.563 45.100 0.072 0.000 0.873 192 G HN 0.213 nan 8.290 nan 0.000 0.580 193 L N 1.082 122.331 121.223 0.044 0.000 2.341 193 L HA 0.673 4.997 4.340 -0.027 0.000 0.278 193 L C 1.036 177.922 176.870 0.026 0.000 1.005 193 L CA -0.502 54.362 54.840 0.039 0.000 0.818 193 L CB 2.070 44.154 42.059 0.042 0.000 1.259 193 L HN 1.024 nan 8.230 nan 0.000 0.418 194 S N 1.907 117.622 115.700 0.025 0.000 2.669 194 S HA 0.301 4.755 4.470 -0.027 0.000 0.270 194 S C 1.135 175.745 174.600 0.016 0.000 1.225 194 S CA -0.536 57.675 58.200 0.019 0.000 0.991 194 S CB 1.312 64.524 63.200 0.019 0.000 0.987 194 S HN 0.804 nan 8.310 nan 0.000 0.552 195 R N 1.098 121.605 120.500 0.012 0.000 2.103 195 R HA -0.176 4.148 4.340 -0.027 0.000 0.242 195 R C 1.618 177.925 176.300 0.013 0.000 1.142 195 R CA 2.029 58.136 56.100 0.010 0.000 0.960 195 R CB -0.820 29.485 30.300 0.008 0.000 0.858 195 R HN 0.824 nan 8.270 nan 0.000 0.439 196 E N 1.245 121.453 120.200 0.014 0.000 2.150 196 E HA -0.155 4.179 4.350 -0.027 0.000 0.193 196 E C 2.090 178.700 176.600 0.018 0.000 0.985 196 E CA 1.205 57.613 56.400 0.015 0.000 0.814 196 E CB -0.391 29.317 29.700 0.013 0.000 0.752 196 E HN 0.531 nan 8.360 nan 0.000 0.466 197 A N 2.540 125.372 122.820 0.020 0.000 1.851 197 A HA -0.084 4.220 4.320 -0.027 0.000 0.216 197 A C 2.636 180.238 177.584 0.029 0.000 1.195 197 A CA 2.633 54.685 52.037 0.026 0.000 0.622 197 A CB -1.074 17.944 19.000 0.030 0.000 0.831 197 A HN 0.358 nan 8.150 nan 0.000 0.444 198 A N -0.596 122.240 122.820 0.027 0.000 1.927 198 A HA -0.191 4.112 4.320 -0.027 0.000 0.220 198 A C 2.237 179.836 177.584 0.024 0.000 1.185 198 A CA 1.811 53.864 52.037 0.027 0.000 0.639 198 A CB -0.746 18.266 19.000 0.020 0.000 0.820 198 A HN 0.525 nan 8.150 nan 0.000 0.451 199 L N -1.087 120.148 121.223 0.020 0.000 2.042 199 L HA -0.232 4.092 4.340 -0.027 0.000 0.210 199 L C 3.057 179.939 176.870 0.021 0.000 1.076 199 L CA 1.195 56.046 54.840 0.018 0.000 0.749 199 L CB -0.362 41.706 42.059 0.015 0.000 0.893 199 L HN 0.473 nan 8.230 nan 0.000 0.432 200 A N -0.324 122.509 122.820 0.022 0.000 1.898 200 A HA -0.131 4.173 4.320 -0.027 0.000 0.216 200 A C 1.985 179.584 177.584 0.025 0.000 1.181 200 A CA 1.239 53.290 52.037 0.023 0.000 0.620 200 A CB -0.615 18.400 19.000 0.025 0.000 0.819 200 A HN 0.439 nan 8.150 nan 0.000 0.442 201 L N -0.911 120.330 121.223 0.030 0.000 2.599 201 L HA 0.068 4.392 4.340 -0.027 0.000 0.230 201 L C 2.311 179.202 176.870 0.034 0.000 1.141 201 L CA 0.197 55.058 54.840 0.035 0.000 0.877 201 L CB -0.437 41.650 42.059 0.046 0.000 1.009 201 L HN 0.411 nan 8.230 nan 0.000 0.447 202 R N 0.915 121.433 120.500 0.029 0.000 2.082 202 R HA -0.194 4.130 4.340 -0.027 0.000 0.234 202 R C 1.664 177.983 176.300 0.032 0.000 1.136 202 R CA 2.209 58.327 56.100 0.030 0.000 0.935 202 R CB -0.045 30.270 30.300 0.025 0.000 0.842 202 R HN 0.279 nan 8.270 nan 0.000 0.430 203 D N 0.402 120.818 120.400 0.026 0.000 2.178 203 D HA -0.078 4.546 4.640 -0.027 0.000 0.201 203 D C 0.315 176.631 176.300 0.026 0.000 0.980 203 D CA 0.565 54.580 54.000 0.025 0.000 0.842 203 D CB -0.225 40.587 40.800 0.019 0.000 0.948 203 D HN 0.052 nan 8.370 nan 0.000 0.472 204 L N 2.361 123.600 121.223 0.027 0.000 2.559 204 L HA 0.012 4.336 4.340 -0.027 0.000 0.282 204 L C -1.616 175.276 176.870 0.037 0.000 1.232 204 L CA -0.340 54.517 54.840 0.029 0.000 0.885 204 L CB -0.381 41.698 42.059 0.033 0.000 1.131 204 L HN -0.028 nan 8.230 nan 0.000 0.498 205 P HA 0.069 nan 4.420 nan 0.000 0.231 205 P C -0.387 176.942 177.300 0.049 0.000 1.756 205 P CA 0.035 63.156 63.100 0.035 0.000 0.990 205 P CB -0.150 31.563 31.700 0.022 0.000 1.973 206 L N 0.742 122.002 121.223 0.061 0.000 2.418 206 L HA 0.334 4.658 4.340 -0.027 0.000 0.265 206 L C 1.824 178.737 176.870 0.073 0.000 1.143 206 L CA -0.500 54.387 54.840 0.078 0.000 0.809 206 L CB 0.765 42.876 42.059 0.087 0.000 1.124 206 L HN 0.051 nan 8.230 nan 0.000 0.456 207 A N 2.023 124.884 122.820 0.069 0.000 2.021 207 A HA 0.534 4.838 4.320 -0.027 0.000 0.216 207 A C 0.743 178.383 177.584 0.094 0.000 1.163 207 A CA 1.114 53.184 52.037 0.056 0.000 0.676 207 A CB -0.052 18.950 19.000 0.003 0.000 0.818 207 A HN 0.778 nan 8.150 nan 0.000 0.453 208 A N -2.199 120.689 122.820 0.113 0.000 2.564 208 A HA 0.610 4.913 4.320 -0.027 0.000 0.291 208 A C -1.569 176.099 177.584 0.140 0.000 1.102 208 A CA -0.281 51.860 52.037 0.173 0.000 0.660 208 A CB 0.670 19.854 19.000 0.307 0.000 1.283 208 A HN 0.578 nan 8.150 nan 0.000 0.430 209 V N 1.315 121.310 119.914 0.135 0.000 2.686 209 V HA 0.524 4.628 4.120 -0.027 0.000 0.306 209 V C -1.461 174.695 176.094 0.103 0.000 1.065 209 V CA -0.429 61.937 62.300 0.110 0.000 0.894 209 V CB 1.964 33.837 31.823 0.083 0.000 1.004 209 V HN 0.992 nan 8.190 nan 0.000 0.424 210 D N 2.933 123.394 120.400 0.100 0.000 2.280 210 D HA 0.359 4.982 4.640 -0.027 0.000 0.236 210 D C 0.811 177.146 176.300 0.059 0.000 1.082 210 D CA -0.316 53.728 54.000 0.074 0.000 0.834 210 D CB 2.163 43.010 40.800 0.078 0.000 1.100 210 D HN 0.371 nan 8.370 nan 0.000 0.486 211 V N 2.164 122.099 119.914 0.036 0.000 3.041 211 V HA 0.233 4.337 4.120 -0.027 0.000 0.260 211 V C 1.280 177.397 176.094 0.038 0.000 1.105 211 V CA 0.521 62.840 62.300 0.032 0.000 1.125 211 V CB -1.479 30.349 31.823 0.009 0.000 0.730 211 V HN 0.868 nan 8.190 nan 0.000 0.479 212 A N 0.708 123.550 122.820 0.038 0.000 1.999 212 A HA 0.025 4.329 4.320 -0.027 0.000 0.261 212 A C 0.865 178.482 177.584 0.055 0.000 1.316 212 A CA 0.803 52.874 52.037 0.056 0.000 0.752 212 A CB -1.865 17.189 19.000 0.090 0.000 1.166 212 A HN 1.591 nan 8.150 nan 0.000 0.311 213 G N -0.128 108.673 108.800 0.001 0.000 2.522 213 G HA2 0.786 4.730 3.960 -0.027 0.000 0.304 213 G HA3 0.786 4.730 3.960 -0.027 0.000 0.304 213 G C 0.471 175.293 174.900 -0.131 0.000 1.210 213 G CA 0.012 45.085 45.100 -0.044 0.000 0.960 213 G HN 2.010 nan 8.290 nan 0.000 0.497 214 A N -1.605 121.059 122.820 -0.259 0.000 2.386 214 A HA 0.594 4.897 4.320 -0.027 0.000 0.246 214 A C 1.414 178.599 177.584 -0.665 0.000 1.089 214 A CA 1.070 52.692 52.037 -0.691 0.000 0.790 214 A CB 0.106 18.619 19.000 -0.812 0.000 1.042 214 A HN 2.435 nan 8.150 nan 0.000 0.497 215 G N -0.866 107.313 108.800 -1.034 0.000 2.284 215 G HA2 0.065 4.009 3.960 -0.027 0.000 0.201 215 G HA3 0.065 4.009 3.960 -0.027 0.000 0.201 215 G C 0.856 175.597 174.900 -0.265 0.000 0.998 215 G CA 0.616 45.395 45.100 -0.536 0.000 0.651 215 G HN 1.717 nan 8.290 nan 0.000 0.489 216 G N -0.047 108.665 108.800 -0.146 0.000 3.387 216 G HA2 0.540 4.484 3.960 -0.027 0.000 0.195 216 G HA3 0.540 4.484 3.960 -0.027 0.000 0.195 216 G C 0.758 175.831 174.900 0.289 0.000 1.853 216 G CA 1.144 46.248 45.100 0.007 0.000 0.879 216 G HN 1.402 nan 8.290 nan 0.000 0.651 217 T N -1.182 113.542 114.554 0.284 0.000 2.901 217 T HA 0.413 4.747 4.350 -0.027 0.000 0.301 217 T C 0.151 174.882 174.700 0.051 0.000 1.012 217 T CA 0.249 62.401 62.100 0.087 0.000 1.135 217 T CB 1.238 70.074 68.868 -0.053 0.000 0.936 217 T HN 0.492 nan 8.240 nan 0.000 0.539 218 S N 3.410 118.937 115.700 -0.288 0.000 2.423 218 S HA 0.241 4.694 4.470 -0.027 0.000 0.317 218 S C 0.648 175.119 174.600 -0.215 0.000 1.065 218 S CA -0.938 56.937 58.200 -0.542 0.000 1.111 218 S CB -0.165 62.397 63.200 -1.063 0.000 0.968 218 S HN 0.855 nan 8.310 nan 0.000 0.474 219 W N 4.028 125.508 121.300 0.300 0.000 2.338 219 W HA -0.086 4.559 4.660 -0.024 0.000 0.304 219 W C 2.543 179.106 176.519 0.074 0.000 1.212 219 W CA 1.353 58.808 57.345 0.183 0.000 1.264 219 W CB -0.527 29.021 29.460 0.146 0.000 1.142 219 W HN 0.891 nan 8.180 nan 0.000 0.512 220 A N 0.386 123.325 122.820 0.198 0.000 1.986 220 A HA -0.246 4.057 4.320 -0.027 0.000 0.220 220 A C 1.963 179.536 177.584 -0.018 0.000 1.171 220 A CA 1.915 53.982 52.037 0.049 0.000 0.640 220 A CB -0.684 18.337 19.000 0.036 0.000 0.811 220 A HN 0.360 nan 8.150 nan 0.000 0.451 221 R N -0.850 119.588 120.500 -0.103 0.000 2.090 221 R HA -0.027 4.297 4.340 -0.027 0.000 0.228 221 R C 2.041 178.278 176.300 -0.106 0.000 1.110 221 R CA 1.169 57.208 56.100 -0.102 0.000 0.973 221 R CB -0.508 29.703 30.300 -0.148 0.000 0.869 221 R HN 0.416 nan 8.270 nan 0.000 0.440 222 V N 1.817 121.574 119.914 -0.262 0.000 2.219 222 V HA -0.288 3.816 4.120 -0.027 0.000 0.248 222 V C 2.236 178.247 176.094 -0.139 0.000 1.053 222 V CA 1.944 64.055 62.300 -0.314 0.000 1.009 222 V CB -0.512 30.852 31.823 -0.765 0.000 0.636 222 V HN 0.315 nan 8.190 nan 0.000 0.445 223 E N 0.056 120.210 120.200 -0.077 0.000 2.097 223 E HA -0.250 4.083 4.350 -0.027 0.000 0.196 223 E C 2.160 178.612 176.600 -0.247 0.000 1.000 223 E CA 1.486 57.812 56.400 -0.123 0.000 0.804 223 E CB -0.402 29.280 29.700 -0.031 0.000 0.740 223 E HN 0.704 nan 8.360 nan 0.000 0.454 224 E N -0.072 119.991 120.200 -0.227 0.000 2.077 224 E HA -0.170 4.164 4.350 -0.027 0.000 0.193 224 E C 1.897 178.293 176.600 -0.340 0.000 0.989 224 E CA 0.581 56.740 56.400 -0.401 0.000 0.800 224 E CB -0.261 29.337 29.700 -0.171 0.000 0.746 224 E HN 0.420 nan 8.360 nan 0.000 0.452 225 W N 1.504 122.642 121.300 -0.270 0.000 2.392 225 W HA -0.134 4.509 4.660 -0.028 0.000 0.279 225 W C 1.847 178.231 176.519 -0.224 0.000 1.225 225 W CA 0.896 58.124 57.345 -0.196 0.000 1.233 225 W CB 0.075 29.435 29.460 -0.167 0.000 1.122 225 W HN -0.115 nan 8.180 nan 0.000 0.561 226 V N 0.982 120.844 119.914 -0.086 0.000 2.323 226 V HA -0.241 3.863 4.120 -0.027 0.000 0.244 226 V C 2.501 178.441 176.094 -0.257 0.000 1.041 226 V CA 1.822 64.033 62.300 -0.148 0.000 1.025 226 V CB -0.589 31.097 31.823 -0.228 0.000 0.656 226 V HN 0.035 nan 8.190 nan 0.000 0.451 227 R N -0.570 119.628 120.500 -0.503 0.000 2.115 227 R HA -0.052 4.272 4.340 -0.027 0.000 0.230 227 R C 1.683 177.739 176.300 -0.406 0.000 1.111 227 R CA 1.687 57.406 56.100 -0.635 0.000 0.976 227 R CB -0.193 29.456 30.300 -1.085 0.000 0.870 227 R HN 0.587 nan 8.270 nan 0.000 0.445 228 F N -2.210 117.628 119.950 -0.187 0.000 2.856 228 F HA 0.360 4.870 4.527 -0.027 0.000 0.338 228 F C 1.398 176.964 175.800 -0.390 0.000 1.100 228 F CA -0.094 57.760 58.000 -0.244 0.000 1.150 228 F CB 0.944 39.798 39.000 -0.243 0.000 1.101 228 F HN 0.073 nan 8.300 nan 0.000 0.548 229 G N 1.634 110.164 108.800 -0.451 0.000 2.205 229 G HA2 -0.331 3.613 3.960 -0.027 0.000 0.269 229 G HA3 -0.331 3.613 3.960 -0.027 0.000 0.269 229 G C 0.086 174.041 174.900 -1.575 0.000 0.977 229 G CA 1.118 45.654 45.100 -0.939 0.000 0.652 229 G HN 0.565 nan 8.290 nan 0.000 0.539 230 E N -1.428 118.216 120.200 -0.926 0.000 2.392 230 E HA 0.672 5.005 4.350 -0.027 0.000 0.269 230 E C -0.926 175.506 176.600 -0.281 0.000 0.924 230 E CA -1.258 54.699 56.400 -0.738 0.000 0.784 230 E CB 2.133 31.618 29.700 -0.357 0.000 1.292 230 E HN 0.173 nan 8.360 nan 0.000 0.447 231 V N 2.984 122.849 119.914 -0.082 0.000 2.339 231 V HA 0.152 4.256 4.120 -0.027 0.000 0.261 231 V C 1.362 177.476 176.094 0.033 0.000 1.058 231 V CA -0.301 62.030 62.300 0.051 0.000 0.897 231 V CB 0.385 32.276 31.823 0.115 0.000 1.052 231 V HN 0.688 nan 8.190 nan 0.000 0.480 232 R N 2.078 122.596 120.500 0.029 0.000 2.075 232 R HA -0.048 4.276 4.340 -0.027 0.000 0.232 232 R C 0.286 176.648 176.300 0.103 0.000 1.126 232 R CA 1.037 57.072 56.100 -0.108 0.000 0.963 232 R CB 0.103 30.125 30.300 -0.463 0.000 0.858 232 R HN 0.728 nan 8.270 nan 0.000 0.435 233 H N -0.571 118.558 119.070 0.100 0.000 2.375 233 H HA 0.240 4.780 4.556 -0.028 0.000 0.230 233 H C -1.905 173.459 175.328 0.061 0.000 1.511 233 H CA -3.104 52.984 56.048 0.068 0.000 1.215 233 H CB 0.526 30.337 29.762 0.081 0.000 1.580 233 H HN 0.036 nan 8.280 nan 0.000 0.537 234 P HA -0.260 nan 4.420 nan 0.000 0.219 234 P C 1.766 179.126 177.300 0.100 0.000 1.161 234 P CA 1.675 64.839 63.100 0.107 0.000 0.909 234 P CB 0.668 32.422 31.700 0.089 0.000 0.793 235 E N -1.022 119.238 120.200 0.100 0.000 2.031 235 E HA -0.162 4.172 4.350 -0.027 0.000 0.193 235 E C 2.009 178.668 176.600 0.098 0.000 0.994 235 E CA 0.669 57.121 56.400 0.087 0.000 0.800 235 E CB -0.694 29.044 29.700 0.064 0.000 0.752 235 E HN 0.012 nan 8.360 nan 0.000 0.447 236 L N 0.826 122.113 121.223 0.107 0.000 1.997 236 L HA -0.260 4.064 4.340 -0.027 0.000 0.216 236 L C 2.215 179.162 176.870 0.128 0.000 1.074 236 L CA 1.873 56.780 54.840 0.112 0.000 0.763 236 L CB -0.639 41.504 42.059 0.141 0.000 0.890 236 L HN 0.439 nan 8.230 nan 0.000 0.434 237 C N 0.123 119.495 119.300 0.119 0.000 2.466 237 C HA -0.027 4.416 4.460 -0.027 0.000 0.283 237 C C 2.203 177.216 174.990 0.038 0.000 1.472 237 C CA -0.041 59.031 59.018 0.089 0.000 1.765 237 C CB -0.996 26.760 27.740 0.027 0.000 1.724 237 C HN 0.507 nan 8.230 nan 0.000 0.560 238 E N 0.699 120.963 120.200 0.106 0.000 2.478 238 E HA 0.199 4.532 4.350 -0.027 0.000 0.194 238 E C 0.660 177.444 176.600 0.307 0.000 1.045 238 E CA 0.039 56.574 56.400 0.226 0.000 0.868 238 E CB -0.062 29.759 29.700 0.201 0.000 0.885 238 E HN 0.649 nan 8.360 nan 0.000 0.505 239 I N 1.744 122.457 120.570 0.237 0.000 2.742 239 I HA 0.027 4.181 4.170 -0.027 0.000 0.287 239 I C 0.901 177.185 176.117 0.279 0.000 1.186 239 I CA 0.672 62.100 61.300 0.215 0.000 1.417 239 I CB 0.040 38.152 38.000 0.186 0.000 1.377 239 I HN -0.034 nan 8.210 nan 0.000 0.556 240 G N 6.287 115.191 108.800 0.173 0.000 2.441 240 G HA2 0.506 4.450 3.960 -0.027 0.000 0.294 240 G HA3 0.506 4.450 3.960 -0.027 0.000 0.294 240 G C -1.700 173.226 174.900 0.043 0.000 1.393 240 G CA -0.752 44.432 45.100 0.140 0.000 0.796 240 G HN 0.304 nan 8.290 nan 0.000 0.494 241 I N 2.062 122.643 120.570 0.019 0.000 2.330 241 I HA 0.377 4.531 4.170 -0.027 0.000 0.289 241 I C -2.097 173.980 176.117 -0.067 0.000 1.001 241 I CA -2.037 59.257 61.300 -0.011 0.000 1.193 241 I CB 2.244 40.250 38.000 0.009 0.000 1.345 241 I HN 0.107 nan 8.210 nan 0.000 0.461 242 P HA 0.097 nan 4.420 nan 0.000 0.269 242 P C 0.696 177.940 177.300 -0.095 0.000 1.209 242 P CA -0.051 62.968 63.100 -0.134 0.000 0.776 242 P CB 0.516 32.156 31.700 -0.099 0.000 0.876 243 T N 1.874 116.355 114.554 -0.121 0.000 2.652 243 T HA -0.240 4.094 4.350 -0.027 0.000 0.267 243 T C 1.805 176.458 174.700 -0.079 0.000 1.039 243 T CA 2.210 64.254 62.100 -0.094 0.000 1.153 243 T CB -0.831 67.972 68.868 -0.109 0.000 0.863 243 T HN 0.472 nan 8.240 nan 0.000 0.428 244 A N 1.964 124.739 122.820 -0.075 0.000 1.917 244 A HA -0.217 4.087 4.320 -0.027 0.000 0.219 244 A C 2.344 179.883 177.584 -0.074 0.000 1.182 244 A CA 1.893 53.865 52.037 -0.109 0.000 0.633 244 A CB -0.541 18.428 19.000 -0.052 0.000 0.819 244 A HN 0.563 nan 8.150 nan 0.000 0.448 245 R N -0.443 120.049 120.500 -0.014 0.000 2.115 245 R HA 0.129 4.453 4.340 -0.027 0.000 0.226 245 R C 2.396 178.685 176.300 -0.019 0.000 1.100 245 R CA 0.986 57.088 56.100 0.004 0.000 0.980 245 R CB -0.464 29.851 30.300 0.026 0.000 0.875 245 R HN 0.468 nan 8.270 nan 0.000 0.445 246 A N 2.062 124.865 122.820 -0.029 0.000 1.873 246 A HA -0.114 4.190 4.320 -0.027 0.000 0.215 246 A C 2.185 179.752 177.584 -0.028 0.000 1.186 246 A CA 1.124 53.149 52.037 -0.020 0.000 0.616 246 A CB -0.533 18.457 19.000 -0.017 0.000 0.823 246 A HN 0.156 nan 8.150 nan 0.000 0.442 247 I N -0.330 120.211 120.570 -0.049 0.000 2.091 247 I HA -0.381 3.773 4.170 -0.027 0.000 0.240 247 I C 2.523 178.605 176.117 -0.058 0.000 1.046 247 I CA 1.925 63.188 61.300 -0.062 0.000 1.306 247 I CB -0.922 37.018 38.000 -0.101 0.000 1.018 247 I HN 0.308 nan 8.210 nan 0.000 0.404 248 L N 0.309 121.493 121.223 -0.065 0.000 1.989 248 L HA -0.230 4.094 4.340 -0.027 0.000 0.211 248 L C 2.776 179.632 176.870 -0.024 0.000 1.071 248 L CA 1.684 56.496 54.840 -0.046 0.000 0.749 248 L CB -0.632 41.411 42.059 -0.025 0.000 0.890 248 L HN 0.305 nan 8.230 nan 0.000 0.431 249 E N -0.588 119.603 120.200 -0.014 0.000 2.047 249 E HA -0.174 4.160 4.350 -0.027 0.000 0.191 249 E C 2.313 178.908 176.600 -0.009 0.000 0.987 249 E CA 1.233 57.630 56.400 -0.005 0.000 0.799 249 E CB -0.303 29.398 29.700 0.002 0.000 0.752 249 E HN 0.255 nan 8.360 nan 0.000 0.449 250 V N 1.602 121.510 119.914 -0.009 0.000 2.332 250 V HA -0.283 3.821 4.120 -0.027 0.000 0.248 250 V C 2.539 178.624 176.094 -0.014 0.000 1.055 250 V CA 2.180 64.478 62.300 -0.004 0.000 1.038 250 V CB -0.486 31.338 31.823 0.002 0.000 0.651 250 V HN 0.160 nan 8.190 nan 0.000 0.450 251 R N 0.769 121.253 120.500 -0.026 0.000 2.115 251 R HA -0.188 4.136 4.340 -0.027 0.000 0.230 251 R C 2.208 178.477 176.300 -0.050 0.000 1.111 251 R CA 1.739 57.813 56.100 -0.043 0.000 0.976 251 R CB -0.291 29.979 30.300 -0.051 0.000 0.870 251 R HN 0.790 nan 8.270 nan 0.000 0.445 252 E N -0.794 119.384 120.200 -0.035 0.000 2.265 252 E HA -0.127 4.207 4.350 -0.027 0.000 0.196 252 E C 1.555 178.134 176.600 -0.035 0.000 0.996 252 E CA 1.280 57.659 56.400 -0.035 0.000 0.832 252 E CB -0.063 29.626 29.700 -0.019 0.000 0.756 252 E HN 0.169 nan 8.360 nan 0.000 0.491 253 V N 0.978 120.877 119.914 -0.025 0.000 2.500 253 V HA -0.021 4.083 4.120 -0.027 0.000 0.243 253 V C 1.322 177.404 176.094 -0.019 0.000 1.039 253 V CA 0.806 63.097 62.300 -0.014 0.000 1.053 253 V CB -0.111 31.710 31.823 -0.002 0.000 0.695 253 V HN 0.264 nan 8.190 nan 0.000 0.463 254 L N 1.193 122.399 121.223 -0.027 0.000 2.603 254 L HA 0.277 4.600 4.340 -0.027 0.000 0.242 254 L C -1.784 175.035 176.870 -0.085 0.000 1.169 254 L CA -1.181 53.645 54.840 -0.023 0.000 1.029 254 L CB 0.775 42.840 42.059 0.009 0.000 1.361 254 L HN 0.192 nan 8.230 nan 0.000 0.439 255 P HA -0.131 nan 4.420 nan 0.000 0.219 255 P C 0.572 177.502 177.300 -0.616 0.000 1.146 255 P CA 1.667 64.514 63.100 -0.422 0.000 0.808 255 P CB 0.249 31.592 31.700 -0.595 0.000 0.779 256 H N -3.736 115.348 119.070 0.023 0.000 3.067 256 H HA 0.202 4.741 4.556 -0.027 0.000 0.241 256 H C 0.437 175.787 175.328 0.038 0.000 0.961 256 H CA -0.753 55.312 56.048 0.028 0.000 1.123 256 H CB -0.527 29.251 29.762 0.027 0.000 1.448 256 H HN -0.094 nan 8.280 nan 0.000 0.457 257 L N 4.325 125.632 121.223 0.139 0.000 2.693 257 L HA -0.025 4.299 4.340 -0.027 0.000 0.292 257 L C -2.200 174.735 176.870 0.109 0.000 1.243 257 L CA -1.391 53.518 54.840 0.114 0.000 0.903 257 L CB 0.154 42.266 42.059 0.088 0.000 1.160 257 L HN 0.006 nan 8.230 nan 0.000 0.496 258 P HA 0.058 nan 4.420 nan 0.000 0.266 258 P C -0.972 176.395 177.300 0.112 0.000 1.186 258 P CA 0.361 63.545 63.100 0.141 0.000 0.767 258 P CB 0.348 32.213 31.700 0.275 0.000 0.820 259 L N 2.514 123.762 121.223 0.042 0.000 2.409 259 L HA 0.398 4.722 4.340 -0.027 0.000 0.272 259 L C -0.453 176.394 176.870 -0.037 0.000 0.980 259 L CA -1.120 53.732 54.840 0.020 0.000 0.826 259 L CB 2.178 44.235 42.059 -0.002 0.000 1.268 259 L HN 0.060 nan 8.230 nan 0.000 0.407 260 V N 1.994 121.900 119.914 -0.014 0.000 2.539 260 V HA 0.628 4.732 4.120 -0.027 0.000 0.292 260 V C 0.350 176.420 176.094 -0.040 0.000 1.045 260 V CA -0.561 61.701 62.300 -0.063 0.000 0.945 260 V CB 1.599 33.404 31.823 -0.031 0.000 0.993 260 V HN 0.839 nan 8.190 nan 0.000 0.464 261 A N 3.556 126.341 122.820 -0.058 0.000 2.293 261 A HA 0.792 5.096 4.320 -0.027 0.000 0.312 261 A C -0.011 177.547 177.584 -0.043 0.000 1.309 261 A CA -0.318 51.692 52.037 -0.045 0.000 0.839 261 A CB 0.785 19.755 19.000 -0.049 0.000 1.155 261 A HN 1.047 nan 8.150 nan 0.000 0.501 262 S N 0.843 116.525 115.700 -0.029 0.000 2.595 262 S HA 0.922 5.376 4.470 -0.027 0.000 0.281 262 S C -0.131 174.464 174.600 -0.009 0.000 1.117 262 S CA -0.403 57.787 58.200 -0.016 0.000 0.873 262 S CB 1.740 64.936 63.200 -0.007 0.000 1.108 262 S HN 2.375 nan 8.310 nan 0.000 0.477 263 G N -0.311 108.486 108.800 -0.005 0.000 2.314 263 G HA2 0.479 4.423 3.960 -0.027 0.000 0.286 263 G HA3 0.479 4.423 3.960 -0.027 0.000 0.286 263 G C 0.723 175.496 174.900 -0.212 0.000 1.270 263 G CA -0.017 45.062 45.100 -0.035 0.000 1.277 263 G HN 2.297 nan 8.290 nan 0.000 0.635 264 G N -0.754 107.794 108.800 -0.421 0.000 2.283 264 G HA2 -0.070 3.873 3.960 -0.027 0.000 0.280 264 G HA3 -0.070 3.873 3.960 -0.027 0.000 0.280 264 G C 0.770 175.139 174.900 -0.885 0.000 1.029 264 G CA 0.671 44.808 45.100 -1.604 0.000 0.840 264 G HN 1.841 nan 8.290 nan 0.000 0.505 265 V N 0.848 120.614 119.914 -0.247 0.000 2.248 265 V HA 0.112 4.215 4.120 -0.027 0.000 0.309 265 V C 1.167 177.504 176.094 0.404 0.000 1.722 265 V CA -0.124 62.211 62.300 0.058 0.000 1.693 265 V CB -0.993 30.889 31.823 0.098 0.000 1.470 265 V HN 0.391 nan 8.190 nan 0.000 0.518 266 Y N 0.924 121.404 120.300 0.299 0.000 2.502 266 Y HA 0.188 4.721 4.550 -0.027 0.000 0.295 266 Y C 1.480 177.700 175.900 0.533 0.000 1.193 266 Y CA -0.306 58.069 58.100 0.458 0.000 1.295 266 Y CB -0.483 38.176 38.460 0.332 0.000 1.059 266 Y HN 0.604 nan 8.280 nan 0.000 0.514 267 T N -5.316 109.515 114.554 0.461 0.000 2.896 267 T HA 0.558 4.892 4.350 -0.027 0.000 0.297 267 T C 1.283 175.724 174.700 -0.432 0.000 1.108 267 T CA -0.329 61.789 62.100 0.031 0.000 1.004 267 T CB 1.516 70.368 68.868 -0.028 0.000 1.159 267 T HN 0.039 nan 8.240 nan 0.000 0.499 268 G N 0.773 109.043 108.800 -0.883 0.000 2.418 268 G HA2 -0.102 3.842 3.960 -0.027 0.000 0.217 268 G HA3 -0.102 3.842 3.960 -0.027 0.000 0.217 268 G C 1.312 176.026 174.900 -0.310 0.000 1.158 268 G CA 1.387 45.988 45.100 -0.832 0.000 0.771 268 G HN 0.831 nan 8.290 nan 0.000 0.545 269 T N 1.246 115.677 114.554 -0.205 0.000 2.665 269 T HA -0.141 4.193 4.350 -0.027 0.000 0.268 269 T C 1.948 176.613 174.700 -0.059 0.000 1.035 269 T CA 1.509 63.550 62.100 -0.099 0.000 1.151 269 T CB -0.341 68.481 68.868 -0.078 0.000 0.862 269 T HN 0.278 nan 8.240 nan 0.000 0.438 270 D N 0.943 121.318 120.400 -0.043 0.000 2.104 270 D HA -0.101 4.522 4.640 -0.027 0.000 0.194 270 D C 2.465 178.771 176.300 0.011 0.000 0.994 270 D CA 1.427 55.426 54.000 -0.002 0.000 0.830 270 D CB -0.702 40.119 40.800 0.036 0.000 0.959 270 D HN 0.485 nan 8.370 nan 0.000 0.452 271 G N 1.347 110.166 108.800 0.031 0.000 2.606 271 G HA2 -0.344 3.600 3.960 -0.027 0.000 0.221 271 G HA3 -0.344 3.600 3.960 -0.027 0.000 0.221 271 G C 1.703 176.619 174.900 0.026 0.000 1.152 271 G CA 1.850 47.000 45.100 0.084 0.000 0.765 271 G HN 0.434 nan 8.290 nan 0.000 0.595 272 A N 0.590 123.403 122.820 -0.012 0.000 1.930 272 A HA 0.115 4.419 4.320 -0.027 0.000 0.215 272 A C 2.313 179.886 177.584 -0.019 0.000 1.176 272 A CA 1.774 53.806 52.037 -0.007 0.000 0.632 272 A CB -0.198 18.795 19.000 -0.011 0.000 0.819 272 A HN 0.463 nan 8.150 nan 0.000 0.445 273 K N 0.279 120.661 120.400 -0.029 0.000 2.097 273 K HA 0.058 4.362 4.320 -0.027 0.000 0.205 273 K C 2.248 178.776 176.600 -0.121 0.000 1.050 273 K CA 0.995 57.244 56.287 -0.064 0.000 0.938 273 K CB -0.391 32.079 32.500 -0.051 0.000 0.718 273 K HN 0.348 nan 8.250 nan 0.000 0.442 274 A N 2.511 125.279 122.820 -0.086 0.000 1.851 274 A HA -0.167 4.136 4.320 -0.027 0.000 0.216 274 A C 2.282 179.816 177.584 -0.084 0.000 1.195 274 A CA 1.458 53.439 52.037 -0.093 0.000 0.622 274 A CB -0.977 17.998 19.000 -0.040 0.000 0.831 274 A HN 0.185 nan 8.150 nan 0.000 0.444 275 L N -0.739 120.457 121.223 -0.044 0.000 2.051 275 L HA -0.294 4.030 4.340 -0.027 0.000 0.214 275 L C 3.067 179.908 176.870 -0.049 0.000 1.076 275 L CA 1.317 56.135 54.840 -0.035 0.000 0.758 275 L CB -0.632 41.423 42.059 -0.006 0.000 0.890 275 L HN 0.482 nan 8.230 nan 0.000 0.433 276 A N -0.055 122.729 122.820 -0.060 0.000 1.933 276 A HA -0.134 4.170 4.320 -0.027 0.000 0.218 276 A C 2.189 179.711 177.584 -0.104 0.000 1.175 276 A CA 1.434 53.433 52.037 -0.064 0.000 0.628 276 A CB -0.626 18.346 19.000 -0.047 0.000 0.814 276 A HN 0.385 nan 8.150 nan 0.000 0.444 277 L N -1.874 119.243 121.223 -0.176 0.000 2.376 277 L HA 0.148 4.472 4.340 -0.027 0.000 0.219 277 L C 1.771 178.561 176.870 -0.135 0.000 1.133 277 L CA 0.969 55.675 54.840 -0.223 0.000 0.816 277 L CB 0.038 41.865 42.059 -0.387 0.000 0.933 277 L HN 0.574 nan 8.230 nan 0.000 0.449 278 G N -1.674 107.067 108.800 -0.099 0.000 3.732 278 G HA2 0.050 3.994 3.960 -0.027 0.000 0.220 278 G HA3 0.050 3.994 3.960 -0.027 0.000 0.220 278 G C 0.096 174.963 174.900 -0.055 0.000 0.903 278 G CA -0.158 44.901 45.100 -0.069 0.000 0.896 278 G HN 0.256 nan 8.290 nan 0.000 0.685 279 A N 0.734 123.518 122.820 -0.060 0.000 2.328 279 A HA 0.599 4.903 4.320 -0.027 0.000 0.284 279 A C 0.926 178.481 177.584 -0.049 0.000 1.160 279 A CA 0.226 52.230 52.037 -0.054 0.000 0.818 279 A CB 0.487 19.452 19.000 -0.059 0.000 1.087 279 A HN 0.083 nan 8.150 nan 0.000 0.504 280 D N 1.036 121.401 120.400 -0.058 0.000 2.194 280 D HA 0.100 4.724 4.640 -0.027 0.000 0.204 280 D C 0.752 176.979 176.300 -0.121 0.000 0.964 280 D CA 1.500 55.458 54.000 -0.069 0.000 0.846 280 D CB -0.038 40.730 40.800 -0.054 0.000 0.962 280 D HN 0.668 nan 8.370 nan 0.000 0.490 281 L N -3.063 118.061 121.223 -0.165 0.000 2.801 281 L HA 0.496 4.819 4.340 -0.027 0.000 0.264 281 L C -1.615 175.172 176.870 -0.139 0.000 1.086 281 L CA -1.176 53.559 54.840 -0.176 0.000 0.920 281 L CB 1.414 43.273 42.059 -0.333 0.000 1.529 281 L HN -0.352 nan 8.230 nan 0.000 0.399 282 L N 0.585 121.733 121.223 -0.125 0.000 2.309 282 L HA 1.007 5.331 4.340 -0.027 0.000 0.261 282 L C -0.309 176.346 176.870 -0.357 0.000 1.021 282 L CA -0.759 53.999 54.840 -0.137 0.000 0.823 282 L CB 1.466 43.537 42.059 0.021 0.000 1.366 282 L HN 0.991 nan 8.230 nan 0.000 0.423 283 A N 0.758 123.363 122.820 -0.358 0.000 2.513 283 A HA 0.764 5.068 4.320 -0.027 0.000 0.296 283 A C -1.375 176.016 177.584 -0.321 0.000 1.052 283 A CA -0.391 51.352 52.037 -0.489 0.000 0.714 283 A CB 1.569 20.419 19.000 -0.250 0.000 1.279 283 A HN 0.338 nan 8.150 nan 0.000 0.397 284 V N 0.860 120.533 119.914 -0.401 0.000 2.919 284 V HA 0.916 5.019 4.120 -0.027 0.000 0.316 284 V C 0.797 176.827 176.094 -0.107 0.000 1.077 284 V CA 0.504 62.736 62.300 -0.114 0.000 0.977 284 V CB 1.660 33.425 31.823 -0.096 0.000 1.039 284 V HN 1.649 nan 8.190 nan 0.000 0.441 285 A N 2.067 124.853 122.820 -0.058 0.000 1.677 285 A HA 0.292 4.596 4.320 -0.027 0.000 0.149 285 A C 1.680 179.178 177.584 -0.144 0.000 1.624 285 A CA 0.562 52.558 52.037 -0.069 0.000 1.596 285 A CB -0.398 18.628 19.000 0.044 0.000 1.396 285 A HN 0.625 nan 8.150 nan 0.000 1.088 286 R N 0.667 121.128 120.500 -0.064 0.000 2.153 286 R HA -0.125 4.199 4.340 -0.027 0.000 0.252 286 R C -0.937 175.170 176.300 -0.322 0.000 1.158 286 R CA 2.367 58.388 56.100 -0.132 0.000 0.975 286 R CB -0.835 29.425 30.300 -0.066 0.000 0.871 286 R HN 0.467 nan 8.270 nan 0.000 0.450 287 P HA -0.077 nan 4.420 nan 0.000 0.241 287 P C 0.653 177.443 177.300 -0.850 0.000 1.191 287 P CA 0.638 63.343 63.100 -0.659 0.000 0.771 287 P CB 0.150 31.363 31.700 -0.813 0.000 0.929 288 L N -0.648 120.157 121.223 -0.695 0.000 2.592 288 L HA 0.160 4.484 4.340 -0.027 0.000 0.227 288 L C 1.900 178.547 176.870 -0.373 0.000 1.127 288 L CA 0.436 54.886 54.840 -0.651 0.000 0.884 288 L CB -1.223 40.595 42.059 -0.402 0.000 1.065 288 L HN -0.065 nan 8.230 nan 0.000 0.457 289 L N -0.861 120.182 121.223 -0.300 0.000 2.269 289 L HA 0.072 4.395 4.340 -0.027 0.000 0.200 289 L C 2.624 179.409 176.870 -0.141 0.000 1.069 289 L CA 0.926 55.663 54.840 -0.172 0.000 0.804 289 L CB -0.422 41.563 42.059 -0.123 0.000 0.987 289 L HN 0.140 nan 8.230 nan 0.000 0.468 290 R N 0.906 121.314 120.500 -0.154 0.000 2.113 290 R HA -0.132 4.192 4.340 -0.027 0.000 0.244 290 R C -0.685 175.558 176.300 -0.095 0.000 1.142 290 R CA 2.496 58.530 56.100 -0.109 0.000 0.953 290 R CB -2.120 28.121 30.300 -0.098 0.000 0.860 290 R HN 0.279 nan 8.270 nan 0.000 0.438 291 P HA -0.053 nan 4.420 nan 0.000 0.218 291 P C 0.728 177.988 177.300 -0.067 0.000 1.148 291 P CA 2.039 65.088 63.100 -0.085 0.000 0.822 291 P CB -0.195 31.421 31.700 -0.141 0.000 0.784 292 A N -0.854 121.911 122.820 -0.092 0.000 1.930 292 A HA -0.128 4.175 4.320 -0.027 0.000 0.217 292 A C 2.161 179.720 177.584 -0.041 0.000 1.175 292 A CA 1.051 53.052 52.037 -0.059 0.000 0.627 292 A CB -1.477 17.485 19.000 -0.064 0.000 0.815 292 A HN 0.084 nan 8.150 nan 0.000 0.443 293 L N 0.154 121.351 121.223 -0.044 0.000 1.956 293 L HA -0.278 4.046 4.340 -0.027 0.000 0.216 293 L C 2.889 179.747 176.870 -0.019 0.000 1.073 293 L CA 2.333 57.156 54.840 -0.029 0.000 0.762 293 L CB -0.888 41.153 42.059 -0.029 0.000 0.889 293 L HN 0.683 nan 8.230 nan 0.000 0.433 294 E N 0.058 120.248 120.200 -0.016 0.000 2.110 294 E HA 0.029 4.363 4.350 -0.027 0.000 0.193 294 E C 0.922 177.519 176.600 -0.004 0.000 0.988 294 E CA 0.704 57.100 56.400 -0.006 0.000 0.804 294 E CB -0.173 29.527 29.700 0.001 0.000 0.745 294 E HN 0.476 nan 8.360 nan 0.000 0.458 295 G N 0.312 109.108 108.800 -0.006 0.000 2.627 295 G HA2 0.150 4.094 3.960 -0.027 0.000 0.680 295 G HA3 0.150 4.094 3.960 -0.027 0.000 0.680 295 G C 0.512 175.413 174.900 0.001 0.000 1.341 295 G CA -0.177 44.920 45.100 -0.005 0.000 0.835 295 G HN 0.545 nan 8.290 nan 0.000 0.643 296 A N 0.625 123.444 122.820 -0.001 0.000 1.477 296 A HA -0.403 3.901 4.320 -0.027 0.000 0.350 296 A C 2.305 179.895 177.584 0.011 0.000 4.342 296 A CA 3.267 55.306 52.037 0.003 0.000 0.935 296 A CB -1.144 17.857 19.000 0.000 0.000 0.711 296 A HN 1.860 nan 8.150 nan 0.000 0.563 297 E N -0.439 119.768 120.200 0.011 0.000 2.026 297 E HA -0.259 4.075 4.350 -0.027 0.000 0.206 297 E C 2.224 178.842 176.600 0.031 0.000 1.028 297 E CA 1.955 58.365 56.400 0.017 0.000 0.845 297 E CB -0.407 29.301 29.700 0.014 0.000 0.772 297 E HN 0.664 nan 8.360 nan 0.000 0.462 298 R N 0.107 120.629 120.500 0.036 0.000 2.096 298 R HA -0.108 4.215 4.340 -0.027 0.000 0.235 298 R C 2.545 178.902 176.300 0.096 0.000 1.127 298 R CA 1.183 57.321 56.100 0.063 0.000 0.968 298 R CB -0.693 29.639 30.300 0.052 0.000 0.861 298 R HN 0.180 nan 8.270 nan 0.000 0.440 299 V N 0.949 120.897 119.914 0.055 0.000 2.324 299 V HA -0.289 3.815 4.120 -0.027 0.000 0.250 299 V C 2.504 178.657 176.094 0.098 0.000 1.060 299 V CA 2.141 64.475 62.300 0.056 0.000 1.042 299 V CB -0.812 31.016 31.823 0.009 0.000 0.650 299 V HN 0.373 nan 8.190 nan 0.000 0.450 300 A N -0.474 122.382 122.820 0.060 0.000 1.970 300 A HA 0.146 4.450 4.320 -0.027 0.000 0.216 300 A C 2.405 180.022 177.584 0.056 0.000 1.170 300 A CA 1.494 53.554 52.037 0.038 0.000 0.645 300 A CB -0.612 18.394 19.000 0.010 0.000 0.816 300 A HN 0.542 nan 8.150 nan 0.000 0.447 301 A N -1.012 121.852 122.820 0.073 0.000 1.865 301 A HA -0.211 4.093 4.320 -0.027 0.000 0.217 301 A C 1.991 179.634 177.584 0.099 0.000 1.191 301 A CA 1.560 53.637 52.037 0.066 0.000 0.623 301 A CB -1.016 18.024 19.000 0.067 0.000 0.826 301 A HN 0.780 nan 8.150 nan 0.000 0.444 302 W N 0.575 121.870 121.300 -0.008 0.000 2.332 302 W HA -0.216 4.428 4.660 -0.026 0.000 0.321 302 W C 2.085 178.608 176.519 0.007 0.000 1.219 302 W CA 2.372 59.724 57.345 0.012 0.000 1.277 302 W CB -0.226 29.241 29.460 0.010 0.000 1.161 302 W HN 0.337 nan 8.180 nan 0.000 0.476 303 I N -0.056 120.695 120.570 0.301 0.000 2.202 303 I HA -0.188 3.966 4.170 -0.027 0.000 0.242 303 I C 2.652 178.732 176.117 -0.061 0.000 1.091 303 I CA 1.445 62.773 61.300 0.046 0.000 1.368 303 I CB -1.634 36.198 38.000 -0.280 0.000 1.058 303 I HN 0.163 nan 8.210 nan 0.000 0.410 304 G N 0.889 109.658 108.800 -0.051 0.000 2.505 304 G HA2 -0.384 3.560 3.960 -0.027 0.000 0.220 304 G HA3 -0.384 3.560 3.960 -0.027 0.000 0.220 304 G C 1.256 176.125 174.900 -0.051 0.000 1.145 304 G CA 1.629 46.695 45.100 -0.057 0.000 0.761 304 G HN 0.419 nan 8.290 nan 0.000 0.571 305 D N -1.006 119.358 120.400 -0.060 0.000 2.084 305 D HA -0.190 4.434 4.640 -0.027 0.000 0.194 305 D C 2.050 178.281 176.300 -0.115 0.000 0.990 305 D CA 1.017 54.952 54.000 -0.109 0.000 0.826 305 D CB -0.349 40.343 40.800 -0.180 0.000 0.971 305 D HN 0.381 nan 8.370 nan 0.000 0.453 306 Y N 0.545 120.682 120.300 -0.272 0.000 2.151 306 Y HA -0.202 4.332 4.550 -0.027 0.000 0.284 306 Y C 2.036 177.878 175.900 -0.096 0.000 1.166 306 Y CA 1.528 59.506 58.100 -0.204 0.000 1.163 306 Y CB -0.190 38.195 38.460 -0.124 0.000 0.974 306 Y HN 0.047 nan 8.280 nan 0.000 0.511 307 L N 0.219 121.503 121.223 0.102 0.000 2.131 307 L HA -0.190 4.134 4.340 -0.027 0.000 0.210 307 L C 2.644 179.506 176.870 -0.013 0.000 1.092 307 L CA 1.772 56.644 54.840 0.053 0.000 0.759 307 L CB -0.506 41.537 42.059 -0.027 0.000 0.903 307 L HN 0.383 nan 8.230 nan 0.000 0.435 308 E N 0.515 120.687 120.200 -0.047 0.000 2.140 308 E HA -0.229 4.104 4.350 -0.027 0.000 0.191 308 E C 1.865 178.422 176.600 -0.071 0.000 0.973 308 E CA 0.857 57.224 56.400 -0.056 0.000 0.829 308 E CB 0.063 29.729 29.700 -0.058 0.000 0.781 308 E HN 0.517 nan 8.360 nan 0.000 0.466 309 E N 0.489 120.621 120.200 -0.113 0.000 2.086 309 E HA -0.230 4.104 4.350 -0.027 0.000 0.200 309 E C 2.324 178.848 176.600 -0.127 0.000 1.012 309 E CA 1.633 57.947 56.400 -0.143 0.000 0.812 309 E CB -0.184 29.377 29.700 -0.232 0.000 0.743 309 E HN 0.263 nan 8.360 nan 0.000 0.453 310 L N 1.324 122.456 121.223 -0.152 0.000 2.093 310 L HA -0.135 4.189 4.340 -0.027 0.000 0.208 310 L C 2.444 179.309 176.870 -0.009 0.000 1.085 310 L CA 1.989 56.772 54.840 -0.096 0.000 0.755 310 L CB -0.653 41.373 42.059 -0.055 0.000 0.904 310 L HN 0.065 nan 8.230 nan 0.000 0.435 311 R N -0.826 119.674 120.500 -0.000 0.000 2.061 311 R HA -0.151 4.173 4.340 -0.027 0.000 0.230 311 R C 2.001 178.350 176.300 0.082 0.000 1.140 311 R CA 2.125 58.242 56.100 0.029 0.000 0.940 311 R CB -0.752 29.544 30.300 -0.007 0.000 0.839 311 R HN 0.435 nan 8.270 nan 0.000 0.429 312 T N 0.676 115.270 114.554 0.066 0.000 2.714 312 T HA -0.253 4.081 4.350 -0.027 0.000 0.268 312 T C 1.781 176.616 174.700 0.225 0.000 1.036 312 T CA 1.771 63.978 62.100 0.177 0.000 1.148 312 T CB -0.337 68.588 68.868 0.095 0.000 0.856 312 T HN 0.542 nan 8.240 nan 0.000 0.462 313 A N 0.758 123.639 122.820 0.102 0.000 1.878 313 A HA 0.265 4.569 4.320 -0.027 0.000 0.213 313 A C 2.282 179.922 177.584 0.093 0.000 1.192 313 A CA 0.412 52.491 52.037 0.070 0.000 0.619 313 A CB -0.715 18.289 19.000 0.008 0.000 0.837 313 A HN 0.409 nan 8.150 nan 0.000 0.446 314 L N -1.196 120.082 121.223 0.091 0.000 2.151 314 L HA -0.250 4.073 4.340 -0.027 0.000 0.215 314 L C 2.451 179.416 176.870 0.158 0.000 1.084 314 L CA 2.262 57.162 54.840 0.100 0.000 0.764 314 L CB -0.494 41.618 42.059 0.089 0.000 0.891 314 L HN 0.625 nan 8.230 nan 0.000 0.435 315 F N 0.482 120.447 119.950 0.026 0.000 2.123 315 F HA -0.007 4.503 4.527 -0.027 0.000 0.289 315 F C 2.429 178.267 175.800 0.063 0.000 1.099 315 F CA 1.012 59.032 58.000 0.033 0.000 1.234 315 F CB -0.711 38.305 39.000 0.027 0.000 1.034 315 F HN -0.039 nan 8.300 nan 0.000 0.479 316 A N 1.133 123.807 122.820 -0.243 0.000 2.159 316 A HA -0.193 4.111 4.320 -0.027 0.000 0.222 316 A C 2.074 179.672 177.584 0.022 0.000 1.163 316 A CA 1.904 53.863 52.037 -0.131 0.000 0.664 316 A CB -1.454 17.604 19.000 0.097 0.000 0.803 316 A HN 0.643 nan 8.150 nan 0.000 0.470 317 I N -4.244 116.316 120.570 -0.016 0.000 4.082 317 I HA 0.380 4.533 4.170 -0.027 0.000 0.337 317 I C 0.826 176.904 176.117 -0.065 0.000 1.352 317 I CA 1.026 62.318 61.300 -0.012 0.000 1.097 317 I CB -0.874 37.149 38.000 0.038 0.000 1.048 317 I HN 0.597 nan 8.210 nan 0.000 0.393 318 G N 2.588 111.329 108.800 -0.098 0.000 2.289 318 G HA2 -0.102 3.842 3.960 -0.027 0.000 0.280 318 G HA3 -0.102 3.842 3.960 -0.027 0.000 0.280 318 G C 0.162 175.058 174.900 -0.005 0.000 1.089 318 G CA 0.195 45.249 45.100 -0.076 0.000 0.939 318 G HN 1.103 nan 8.290 nan 0.000 0.499 319 A N -0.334 122.507 122.820 0.035 0.000 2.267 319 A HA 0.810 5.114 4.320 -0.027 0.000 0.315 319 A C 1.056 178.681 177.584 0.069 0.000 1.297 319 A CA -0.060 52.003 52.037 0.043 0.000 0.865 319 A CB 0.702 19.727 19.000 0.041 0.000 1.165 319 A HN 0.389 nan 8.150 nan 0.000 0.513 320 R N 1.058 121.593 120.500 0.057 0.000 2.096 320 R HA -0.104 4.220 4.340 -0.027 0.000 0.235 320 R C 0.457 176.792 176.300 0.057 0.000 1.127 320 R CA 2.050 58.188 56.100 0.064 0.000 0.968 320 R CB -0.053 30.276 30.300 0.047 0.000 0.861 320 R HN 0.977 nan 8.270 nan 0.000 0.440 321 N N -3.486 115.242 118.700 0.048 0.000 2.853 321 N HA 0.223 4.946 4.740 -0.027 0.000 0.258 321 N C -2.637 172.897 175.510 0.039 0.000 1.444 321 N CA -1.461 51.614 53.050 0.042 0.000 0.837 321 N CB 1.518 40.026 38.487 0.035 0.000 1.489 321 N HN -0.408 nan 8.380 nan 0.000 0.529 322 P HA -0.108 nan 4.420 nan 0.000 0.217 322 P C 0.930 178.242 177.300 0.021 0.000 1.150 322 P CA 1.152 64.270 63.100 0.030 0.000 0.832 322 P CB 0.178 31.896 31.700 0.029 0.000 0.787 323 K N 0.169 120.583 120.400 0.023 0.000 2.218 323 K HA -0.175 4.129 4.320 -0.027 0.000 0.205 323 K C 1.587 178.198 176.600 0.019 0.000 1.046 323 K CA 1.220 57.519 56.287 0.021 0.000 0.933 323 K CB -0.462 32.054 32.500 0.027 0.000 0.728 323 K HN 0.339 nan 8.250 nan 0.000 0.454 324 E N -0.835 119.377 120.200 0.021 0.000 2.489 324 E HA 0.014 4.347 4.350 -0.027 0.000 0.193 324 E C 1.232 177.841 176.600 0.015 0.000 1.057 324 E CA 0.135 56.547 56.400 0.020 0.000 0.866 324 E CB 0.367 30.081 29.700 0.025 0.000 0.916 324 E HN 0.213 nan 8.360 nan 0.000 0.500 325 A N 1.142 123.970 122.820 0.013 0.000 2.115 325 A HA 0.033 4.337 4.320 -0.027 0.000 0.211 325 A C 1.374 178.955 177.584 -0.004 0.000 1.169 325 A CA -0.217 51.824 52.037 0.006 0.000 0.787 325 A CB -0.028 18.977 19.000 0.008 0.000 0.858 325 A HN 0.017 nan 8.150 nan 0.000 0.474 326 R N 0.017 120.513 120.500 -0.007 0.000 2.481 326 R HA 0.251 4.575 4.340 -0.027 0.000 0.291 326 R C 1.191 177.487 176.300 -0.006 0.000 0.934 326 R CA 1.609 57.701 56.100 -0.014 0.000 1.116 326 R CB -0.277 30.020 30.300 -0.006 0.000 0.895 326 R HN 0.837 nan 8.270 nan 0.000 0.410 327 G N 3.851 112.646 108.800 -0.008 0.000 2.561 327 G HA2 -0.262 3.682 3.960 -0.027 0.000 0.203 327 G HA3 -0.262 3.682 3.960 -0.027 0.000 0.203 327 G C 0.418 175.324 174.900 0.010 0.000 1.101 327 G CA 0.037 45.139 45.100 0.003 0.000 0.711 327 G HN 0.572 nan 8.290 nan 0.000 0.511 328 R N 0.533 121.037 120.500 0.007 0.000 3.541 328 R HA 0.596 4.920 4.340 -0.027 0.000 0.277 328 R C -0.287 176.033 176.300 0.033 0.000 1.539 328 R CA 0.404 56.514 56.100 0.016 0.000 1.338 328 R CB 0.673 30.979 30.300 0.010 0.000 1.343 328 R HN 0.303 nan 8.270 nan 0.000 0.623 329 V N 0.191 120.137 119.914 0.053 0.000 3.188 329 V HA 0.418 4.522 4.120 -0.027 0.000 0.305 329 V C -1.517 174.675 176.094 0.162 0.000 1.232 329 V CA -0.725 61.637 62.300 0.103 0.000 1.043 329 V CB 2.573 34.431 31.823 0.058 0.000 1.068 329 V HN 0.478 nan 8.190 nan 0.000 0.439 330 E N 2.825 123.163 120.200 0.230 0.000 2.412 330 E HA 0.546 4.880 4.350 -0.027 0.000 0.279 330 E C -1.301 175.357 176.600 0.098 0.000 0.984 330 E CA -1.201 55.312 56.400 0.189 0.000 0.788 330 E CB 1.637 31.381 29.700 0.073 0.000 1.277 330 E HN 0.431 nan 8.360 nan 0.000 0.455 331 R N 1.441 121.874 120.500 -0.111 0.000 2.480 331 R HA 0.096 4.420 4.340 -0.027 0.000 0.303 331 R C -0.009 176.139 176.300 -0.254 0.000 0.985 331 R CA 0.112 55.951 56.100 -0.436 0.000 1.051 331 R CB 0.048 30.189 30.300 -0.266 0.000 0.935 331 R HN 0.485 nan 8.270 nan 0.000 0.410 332 V N 0.000 119.735 119.914 -0.298 0.000 2.409 332 V HA 0.000 4.104 4.120 -0.027 0.000 0.244 332 V CA 0.000 62.210 62.300 -0.150 0.000 1.235 332 V CB 0.000 31.740 31.823 -0.139 0.000 1.184 332 V HN 0.000 nan 8.190 nan 0.000 0.556