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 1mb4_1_B DATA FIRST_RESID 1 DATA SEQUENCE MRVGLVGWRG MVGSVLMQRM VEERDFDLIE PVFFSTSQIG VPAPNFGKDA DATA SEQUENCE GMLHDAFDIE SLKQLDAVIT CQGGSYTEKV YPALRQAGWK GYWIDAASTL DATA SEQUENCE RMDKEAIITL DPVNLKQILH GIHHGTKTFV GGNCTVSLML MALGGLYERG DATA SEQUENCE LVEWMSAMTY QAASGAGAQN MRELISQMGV INDAVSSELA NPASSILDID DATA SEQUENCE KKVAETMRSG SFPTDNFGVP LAGSLIPWID VKRDNGQSKE EWKAGVEANK DATA SEQUENCE ILGLQDSPVP IDGTCVRIGA MRCHSQALTI KLKQNIPLDE IEEMIATHND DATA SEQUENCE WVKVIPNERD ITARELTPAK VTGTLSVPVG RLRKMAMGDD FLNAFTVGDQ DATA SEQUENCE LLWGAAEPLR RTLRIILAE 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.336 176.300 0.060 0.000 1.140 1 M CA 0.000 55.332 55.300 0.053 0.000 0.988 1 M CB 0.000 32.623 32.600 0.039 0.000 1.302 2 R N 3.377 123.925 120.500 0.081 0.000 2.216 2 R HA 0.595 4.935 4.340 -0.000 0.000 0.332 2 R C -1.087 175.271 176.300 0.096 0.000 1.056 2 R CA -0.541 55.608 56.100 0.082 0.000 0.901 2 R CB 1.200 31.557 30.300 0.096 0.000 1.039 2 R HN 0.447 nan 8.270 nan 0.000 0.456 3 V N 2.480 122.427 119.914 0.054 0.000 2.384 3 V HA 0.392 4.512 4.120 -0.000 0.000 0.287 3 V C 0.649 176.740 176.094 -0.005 0.000 1.020 3 V CA -0.876 61.447 62.300 0.038 0.000 0.850 3 V CB 1.814 33.633 31.823 -0.008 0.000 0.987 3 V HN 0.919 nan 8.190 nan 0.000 0.436 4 G N 5.098 113.909 108.800 0.018 0.000 2.372 4 G HA2 0.567 4.526 3.960 -0.000 0.000 0.283 4 G HA3 0.567 4.526 3.960 -0.000 0.000 0.283 4 G C -0.817 174.041 174.900 -0.070 0.000 1.177 4 G CA -0.434 44.683 45.100 0.029 0.000 0.842 4 G HN 0.422 nan 8.290 nan 0.000 0.503 5 L N 3.211 124.402 121.223 -0.053 0.000 2.294 5 L HA 0.399 4.739 4.340 -0.000 0.000 0.283 5 L C -0.127 176.877 176.870 0.223 0.000 1.015 5 L CA -0.757 54.068 54.840 -0.025 0.000 0.831 5 L CB 0.926 42.860 42.059 -0.208 0.000 1.217 5 L HN 0.170 nan 8.230 nan 0.000 0.420 6 V N 1.403 121.347 119.914 0.051 0.000 2.513 6 V HA 0.731 4.851 4.120 -0.000 0.000 0.299 6 V C 0.918 176.955 176.094 -0.096 0.000 1.035 6 V CA -0.217 62.062 62.300 -0.035 0.000 0.889 6 V CB 1.466 33.057 31.823 -0.385 0.000 0.988 6 V HN 0.971 nan 8.190 nan 0.000 0.440 7 G N 2.930 111.633 108.800 -0.161 0.000 2.143 7 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.248 7 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.248 7 G C 0.550 175.349 174.900 -0.168 0.000 0.991 7 G CA 0.524 45.479 45.100 -0.242 0.000 0.689 7 G HN 1.081 nan 8.290 nan 0.000 0.522 8 W N -0.286 121.046 121.300 0.053 0.000 2.525 8 W HA 0.083 4.743 4.660 -0.000 0.000 0.259 8 W C 1.561 178.157 176.519 0.128 0.000 1.253 8 W CA 0.820 58.246 57.345 0.136 0.000 1.262 8 W CB -0.579 29.090 29.460 0.349 0.000 1.122 8 W HN 0.419 nan 8.180 nan 0.000 0.607 9 R N 1.282 121.224 120.500 -0.931 0.000 2.210 9 R HA 0.156 4.496 4.340 -0.000 0.000 0.203 9 R C 1.738 177.837 176.300 -0.336 0.000 1.010 9 R CA 0.757 56.373 56.100 -0.807 0.000 1.008 9 R CB -0.361 29.155 30.300 -1.306 0.000 0.923 9 R HN 0.080 nan 8.270 nan 0.000 0.469 10 G N 0.263 108.901 108.800 -0.270 0.000 2.525 10 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.276 10 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.276 10 G C 0.609 175.460 174.900 -0.082 0.000 1.388 10 G CA -0.304 44.704 45.100 -0.154 0.000 1.050 10 G HN 0.207 nan 8.290 nan 0.000 0.520 11 M N -1.121 118.444 119.600 -0.059 0.000 2.077 11 M HA -0.082 4.398 4.480 -0.000 0.000 0.261 11 M C 2.453 178.734 176.300 -0.031 0.000 1.070 11 M CA 1.530 56.809 55.300 -0.034 0.000 1.125 11 M CB -0.278 32.306 32.600 -0.026 0.000 1.339 11 M HN 0.205 nan 8.290 nan 0.000 0.409 12 V N 0.402 120.293 119.914 -0.038 0.000 2.427 12 V HA -0.157 3.963 4.120 -0.000 0.000 0.248 12 V C 2.565 178.638 176.094 -0.036 0.000 1.051 12 V CA 1.930 64.205 62.300 -0.041 0.000 1.048 12 V CB -1.617 30.181 31.823 -0.043 0.000 0.666 12 V HN 0.754 nan 8.190 nan 0.000 0.456 13 G N -0.580 108.203 108.800 -0.028 0.000 2.422 13 G HA2 -0.214 3.745 3.960 -0.000 0.000 0.218 13 G HA3 -0.214 3.745 3.960 -0.000 0.000 0.218 13 G C 1.826 176.764 174.900 0.064 0.000 1.146 13 G CA 1.140 46.252 45.100 0.020 0.000 0.769 13 G HN 0.517 nan 8.290 nan 0.000 0.547 14 S N -0.078 115.649 115.700 0.045 0.000 2.383 14 S HA -0.081 4.389 4.470 -0.000 0.000 0.227 14 S C 2.490 177.102 174.600 0.020 0.000 1.026 14 S CA 1.052 59.297 58.200 0.074 0.000 0.981 14 S CB -0.132 63.103 63.200 0.059 0.000 0.818 14 S HN 0.191 nan 8.310 nan 0.000 0.472 15 V N 1.765 121.670 119.914 -0.015 0.000 2.427 15 V HA -0.099 4.021 4.120 -0.000 0.000 0.248 15 V C 2.203 178.249 176.094 -0.080 0.000 1.051 15 V CA 1.300 63.571 62.300 -0.049 0.000 1.048 15 V CB -0.623 31.162 31.823 -0.065 0.000 0.666 15 V HN 0.356 nan 8.190 nan 0.000 0.456 16 L N -0.500 120.677 121.223 -0.076 0.000 1.994 16 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 16 L C 2.367 179.159 176.870 -0.129 0.000 1.071 16 L CA 2.082 56.856 54.840 -0.109 0.000 0.745 16 L CB -0.572 41.437 42.059 -0.082 0.000 0.892 16 L HN 0.146 nan 8.230 nan 0.000 0.431 17 M N -0.559 118.982 119.600 -0.098 0.000 2.108 17 M HA -0.267 4.213 4.480 -0.000 0.000 0.261 17 M C 2.292 178.437 176.300 -0.258 0.000 1.066 17 M CA 2.013 57.158 55.300 -0.258 0.000 1.107 17 M CB -1.500 30.862 32.600 -0.397 0.000 1.356 17 M HN 0.578 nan 8.290 nan 0.000 0.406 18 Q N -0.058 119.662 119.800 -0.134 0.000 2.084 18 Q HA -0.190 4.150 4.340 -0.000 0.000 0.202 18 Q C 2.100 178.052 176.000 -0.080 0.000 0.978 18 Q CA 1.340 57.103 55.803 -0.067 0.000 0.844 18 Q CB 0.022 28.743 28.738 -0.027 0.000 0.898 18 Q HN 0.328 nan 8.270 nan 0.000 0.426 19 R N 0.041 120.470 120.500 -0.118 0.000 2.092 19 R HA -0.009 4.331 4.340 -0.000 0.000 0.231 19 R C 2.255 178.456 176.300 -0.165 0.000 1.119 19 R CA 1.327 57.342 56.100 -0.142 0.000 0.970 19 R CB -0.520 29.667 30.300 -0.189 0.000 0.864 19 R HN 0.456 nan 8.270 nan 0.000 0.440 20 M N 0.067 119.534 119.600 -0.222 0.000 2.213 20 M HA -0.126 4.354 4.480 -0.000 0.000 0.263 20 M C 2.221 178.405 176.300 -0.193 0.000 1.062 20 M CA 1.203 56.291 55.300 -0.353 0.000 1.105 20 M CB -0.129 32.050 32.600 -0.701 0.000 1.385 20 M HN -0.117 nan 8.290 nan 0.000 0.417 21 V N 0.247 120.157 119.914 -0.007 0.000 2.379 21 V HA -0.208 3.912 4.120 -0.000 0.000 0.245 21 V C 1.967 178.093 176.094 0.054 0.000 1.044 21 V CA 1.734 64.115 62.300 0.135 0.000 1.036 21 V CB -0.560 31.353 31.823 0.151 0.000 0.664 21 V HN 0.460 nan 8.190 nan 0.000 0.453 22 E N -0.133 120.068 120.200 0.002 0.000 2.077 22 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 22 E C 1.951 178.541 176.600 -0.017 0.000 0.989 22 E CA 1.161 57.558 56.400 -0.005 0.000 0.800 22 E CB -0.048 29.638 29.700 -0.023 0.000 0.746 22 E HN 0.512 nan 8.360 nan 0.000 0.452 23 E N 0.195 120.365 120.200 -0.051 0.000 2.489 23 E HA 0.044 4.394 4.350 -0.000 0.000 0.193 23 E C -0.151 176.419 176.600 -0.050 0.000 1.057 23 E CA -0.027 56.339 56.400 -0.057 0.000 0.866 23 E CB 0.176 29.818 29.700 -0.096 0.000 0.916 23 E HN 0.167 nan 8.360 nan 0.000 0.500 24 R N 1.106 121.591 120.500 -0.025 0.000 3.336 24 R HA -0.157 4.182 4.340 -0.000 0.000 0.260 24 R C -0.134 176.142 176.300 -0.040 0.000 1.032 24 R CA 0.559 56.667 56.100 0.014 0.000 0.693 24 R CB -1.473 28.844 30.300 0.029 0.000 1.134 24 R HN 0.148 nan 8.270 nan 0.000 0.433 25 D N -0.245 120.053 120.400 -0.170 0.000 2.224 25 D HA -0.098 4.542 4.640 -0.000 0.000 0.205 25 D C 1.431 177.594 176.300 -0.229 0.000 0.965 25 D CA 1.113 54.957 54.000 -0.260 0.000 0.852 25 D CB -0.148 40.393 40.800 -0.432 0.000 0.947 25 D HN 0.387 nan 8.370 nan 0.000 0.494 26 F N 1.351 121.293 119.950 -0.014 0.000 2.365 26 F HA -0.108 4.419 4.527 -0.000 0.000 0.300 26 F C 1.859 177.667 175.800 0.014 0.000 1.090 26 F CA 0.487 58.494 58.000 0.012 0.000 1.408 26 F CB 0.025 39.063 39.000 0.064 0.000 1.060 26 F HN -0.170 nan 8.300 nan 0.000 0.534 27 D N -0.160 120.333 120.400 0.155 0.000 2.264 27 D HA -0.073 4.567 4.640 -0.000 0.000 0.208 27 D C 2.022 178.355 176.300 0.055 0.000 0.966 27 D CA 0.844 54.901 54.000 0.095 0.000 0.864 27 D CB -0.023 40.816 40.800 0.064 0.000 0.933 27 D HN 0.170 nan 8.370 nan 0.000 0.499 28 L N 0.209 121.449 121.223 0.027 0.000 2.554 28 L HA 0.305 4.645 4.340 -0.000 0.000 0.225 28 L C 1.013 177.888 176.870 0.009 0.000 1.104 28 L CA 0.346 55.188 54.840 0.003 0.000 0.866 28 L CB -0.737 41.303 42.059 -0.033 0.000 1.047 28 L HN 0.069 nan 8.230 nan 0.000 0.468 29 I N -3.519 117.071 120.570 0.034 0.000 3.239 29 I HA 0.485 4.655 4.170 -0.000 0.000 0.314 29 I C -0.207 175.959 176.117 0.081 0.000 1.126 29 I CA -0.860 60.465 61.300 0.042 0.000 0.973 29 I CB 2.505 40.513 38.000 0.013 0.000 1.252 29 I HN -0.106 nan 8.210 nan 0.000 0.463 30 E N 4.238 124.476 120.200 0.064 0.000 2.070 30 E HA 0.426 4.776 4.350 -0.000 0.000 0.261 30 E C -2.544 174.085 176.600 0.047 0.000 0.926 30 E CA -2.285 54.152 56.400 0.062 0.000 0.760 30 E CB 0.995 30.725 29.700 0.050 0.000 1.133 30 E HN 0.397 nan 8.360 nan 0.000 0.420 31 P HA 0.069 nan 4.420 nan 0.000 0.276 31 P C -0.684 176.535 177.300 -0.134 0.000 1.230 31 P CA -0.317 62.754 63.100 -0.049 0.000 0.776 31 P CB 1.439 33.167 31.700 0.048 0.000 0.888 32 V N 4.742 124.498 119.914 -0.263 0.000 2.482 32 V HA 0.316 4.436 4.120 -0.000 0.000 0.295 32 V C -0.215 175.674 176.094 -0.343 0.000 1.026 32 V CA -0.424 61.719 62.300 -0.262 0.000 0.856 32 V CB 0.831 32.533 31.823 -0.201 0.000 1.001 32 V HN 0.339 nan 8.190 nan 0.000 0.424 33 F N 4.592 124.402 119.950 -0.233 0.000 2.394 33 F HA 0.709 5.236 4.527 -0.000 0.000 0.340 33 F C -0.028 175.676 175.800 -0.158 0.000 1.105 33 F CA -0.348 57.559 58.000 -0.156 0.000 1.124 33 F CB 1.043 39.782 39.000 -0.436 0.000 1.145 33 F HN 0.281 nan 8.300 nan 0.000 0.505 34 F N 0.723 120.844 119.950 0.285 0.000 2.575 34 F HA 0.692 5.219 4.527 -0.000 0.000 0.330 34 F C 0.189 176.209 175.800 0.367 0.000 1.056 34 F CA -0.771 57.386 58.000 0.261 0.000 0.964 34 F CB 2.048 41.105 39.000 0.096 0.000 1.258 34 F HN 0.346 nan 8.300 nan 0.000 0.484 35 S N -1.130 114.809 115.700 0.398 0.000 2.570 35 S HA 0.491 4.961 4.470 -0.000 0.000 0.270 35 S C -0.114 174.587 174.600 0.168 0.000 1.149 35 S CA -0.075 58.273 58.200 0.248 0.000 0.837 35 S CB 1.383 64.739 63.200 0.261 0.000 1.124 35 S HN 0.790 nan 8.310 nan 0.000 0.465 36 T N -0.759 113.860 114.554 0.109 0.000 3.084 36 T HA 0.300 4.650 4.350 -0.000 0.000 0.270 36 T C 0.896 175.718 174.700 0.203 0.000 1.008 36 T CA 0.611 62.838 62.100 0.212 0.000 0.900 36 T CB -0.067 68.939 68.868 0.230 0.000 1.084 36 T HN 0.860 nan 8.240 nan 0.000 0.538 37 S N -0.049 115.728 115.700 0.129 0.000 2.615 37 S HA 0.212 4.682 4.470 -0.000 0.000 0.277 37 S C 0.687 175.334 174.600 0.079 0.000 1.068 37 S CA -0.529 57.728 58.200 0.095 0.000 1.315 37 S CB -0.124 63.111 63.200 0.058 0.000 1.193 37 S HN 0.363 nan 8.310 nan 0.000 0.656 38 Q N 1.450 121.308 119.800 0.095 0.000 2.158 38 Q HA 0.474 4.814 4.340 -0.000 0.000 0.306 38 Q C -0.740 175.316 176.000 0.093 0.000 0.878 38 Q CA -0.263 55.593 55.803 0.088 0.000 1.136 38 Q CB 0.757 29.556 28.738 0.101 0.000 1.253 38 Q HN 0.569 nan 8.270 nan 0.000 0.441 39 I N 0.540 121.167 120.570 0.095 0.000 2.752 39 I HA -0.089 4.081 4.170 -0.000 0.000 0.289 39 I C 1.370 177.503 176.117 0.028 0.000 1.197 39 I CA 1.284 62.628 61.300 0.073 0.000 1.432 39 I CB 0.334 38.386 38.000 0.087 0.000 1.359 39 I HN 0.606 nan 8.210 nan 0.000 0.571 40 G N 4.044 112.837 108.800 -0.011 0.000 2.358 40 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.224 40 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.224 40 G C 0.287 175.168 174.900 -0.031 0.000 1.073 40 G CA -0.089 44.990 45.100 -0.035 0.000 0.635 40 G HN 0.470 nan 8.290 nan 0.000 0.509 41 V N 3.493 123.404 119.914 -0.005 0.000 2.872 41 V HA 0.342 4.462 4.120 -0.000 0.000 0.307 41 V C -1.384 174.688 176.094 -0.036 0.000 1.072 41 V CA -0.444 61.850 62.300 -0.010 0.000 1.148 41 V CB 0.932 32.768 31.823 0.021 0.000 0.954 41 V HN 0.231 nan 8.190 nan 0.000 0.490 42 P HA 0.169 nan 4.420 nan 0.000 0.265 42 P C -0.393 176.806 177.300 -0.168 0.000 1.193 42 P CA 0.188 63.222 63.100 -0.110 0.000 0.765 42 P CB 0.439 32.070 31.700 -0.115 0.000 0.823 43 A N 6.058 128.739 122.820 -0.231 0.000 2.386 43 A HA 0.403 4.723 4.320 -0.000 0.000 0.248 43 A C -1.881 175.286 177.584 -0.694 0.000 1.082 43 A CA -1.088 50.677 52.037 -0.453 0.000 0.789 43 A CB -1.031 17.739 19.000 -0.383 0.000 1.025 43 A HN 0.439 nan 8.150 nan 0.000 0.490 44 P HA 0.028 nan 4.420 nan 0.000 0.269 44 P C -0.883 175.688 177.300 -1.216 0.000 1.209 44 P CA -0.355 62.035 63.100 -1.184 0.000 0.776 44 P CB 0.513 31.279 31.700 -1.556 0.000 0.876 45 N N 2.284 120.421 118.700 -0.937 0.000 2.546 45 N HA 0.175 4.915 4.740 -0.000 0.000 0.238 45 N C -0.840 174.272 175.510 -0.664 0.000 0.984 45 N CA -0.421 52.230 53.050 -0.665 0.000 0.935 45 N CB -0.231 38.024 38.487 -0.387 0.000 1.122 45 N HN 0.262 nan 8.380 nan 0.000 0.510 46 F N 1.732 121.422 119.950 -0.433 0.000 2.916 46 F HA 0.311 4.838 4.527 -0.000 0.000 0.294 46 F C 1.731 177.373 175.800 -0.264 0.000 1.189 46 F CA -0.086 57.695 58.000 -0.365 0.000 1.369 46 F CB 0.543 39.180 39.000 -0.605 0.000 0.961 46 F HN 0.705 nan 8.300 nan 0.000 0.508 47 G N 0.159 108.917 108.800 -0.070 0.000 2.391 47 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.204 47 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.204 47 G C 0.156 175.031 174.900 -0.040 0.000 1.012 47 G CA -0.669 44.421 45.100 -0.016 0.000 0.651 47 G HN 0.272 nan 8.290 nan 0.000 0.494 48 K N 0.716 121.065 120.400 -0.086 0.000 2.316 48 K HA 0.460 4.780 4.320 -0.000 0.000 0.251 48 K C -1.691 174.850 176.600 -0.098 0.000 0.934 48 K CA -0.880 55.374 56.287 -0.056 0.000 0.802 48 K CB 2.161 34.661 32.500 -0.000 0.000 1.171 48 K HN 0.079 nan 8.250 nan 0.000 0.426 49 D N 1.884 122.240 120.400 -0.073 0.000 2.344 49 D HA 0.129 4.769 4.640 -0.000 0.000 0.253 49 D C 0.199 176.469 176.300 -0.050 0.000 1.255 49 D CA -0.057 53.889 54.000 -0.091 0.000 0.894 49 D CB 1.071 41.829 40.800 -0.069 0.000 1.067 49 D HN 0.601 nan 8.370 nan 0.000 0.492 50 A N 3.188 125.974 122.820 -0.058 0.000 2.307 50 A HA 0.538 4.858 4.320 -0.000 0.000 0.218 50 A C 1.408 179.010 177.584 0.030 0.000 1.228 50 A CA 0.619 52.682 52.037 0.043 0.000 0.857 50 A CB -0.493 18.652 19.000 0.241 0.000 0.897 50 A HN 0.888 nan 8.150 nan 0.000 0.495 51 G N -0.221 108.560 108.800 -0.032 0.000 2.514 51 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.265 51 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.265 51 G C 0.044 174.910 174.900 -0.056 0.000 1.150 51 G CA 0.346 45.429 45.100 -0.029 0.000 0.959 51 G HN 0.324 nan 8.290 nan 0.000 0.556 52 M N 0.452 120.026 119.600 -0.042 0.000 2.573 52 M HA 0.571 5.051 4.480 -0.000 0.000 0.309 52 M C 0.615 176.908 176.300 -0.013 0.000 1.202 52 M CA -0.751 54.504 55.300 -0.075 0.000 0.975 52 M CB 1.032 33.556 32.600 -0.127 0.000 1.600 52 M HN 0.457 nan 8.290 nan 0.000 0.479 53 L N 2.169 123.387 121.223 -0.007 0.000 2.361 53 L HA 0.109 4.449 4.340 -0.000 0.000 0.278 53 L C -0.010 176.873 176.870 0.022 0.000 1.113 53 L CA -0.163 54.724 54.840 0.080 0.000 0.849 53 L CB -0.074 42.067 42.059 0.136 0.000 1.155 53 L HN 0.533 nan 8.230 nan 0.000 0.452 54 H N 0.721 119.623 119.070 -0.280 0.000 2.505 54 H HA 0.142 4.698 4.556 -0.000 0.000 0.358 54 H C -0.437 174.853 175.328 -0.063 0.000 1.304 54 H CA -0.717 55.131 56.048 -0.333 0.000 1.393 54 H CB 0.487 29.723 29.762 -0.876 0.000 1.591 54 H HN 0.430 nan 8.280 nan 0.000 0.595 55 D N -0.165 120.375 120.400 0.235 0.000 2.336 55 D HA 0.202 4.842 4.640 -0.000 0.000 0.249 55 D C 0.598 177.225 176.300 0.544 0.000 1.213 55 D CA -0.142 54.060 54.000 0.336 0.000 0.870 55 D CB 0.657 41.616 40.800 0.266 0.000 1.076 55 D HN 0.588 nan 8.370 nan 0.000 0.483 56 A N 3.531 126.617 122.820 0.442 0.000 2.178 56 A HA -0.086 4.234 4.320 -0.000 0.000 0.218 56 A C 1.249 178.837 177.584 0.007 0.000 1.157 56 A CA 0.763 52.934 52.037 0.223 0.000 0.689 56 A CB -0.499 18.455 19.000 -0.077 0.000 0.787 56 A HN 0.607 nan 8.150 nan 0.000 0.465 57 F N -0.836 119.289 119.950 0.293 0.000 2.678 57 F HA 0.194 4.721 4.527 -0.000 0.000 0.305 57 F C 0.367 176.239 175.800 0.120 0.000 1.090 57 F CA -0.822 57.288 58.000 0.183 0.000 1.272 57 F CB 0.255 39.346 39.000 0.151 0.000 1.060 57 F HN 0.082 nan 8.300 nan 0.000 0.576 58 D N 1.295 121.874 120.400 0.300 0.000 2.383 58 D HA 0.087 4.727 4.640 -0.000 0.000 0.245 58 D C 1.593 177.972 176.300 0.132 0.000 1.263 58 D CA 0.221 54.350 54.000 0.215 0.000 0.936 58 D CB 0.244 41.189 40.800 0.242 0.000 1.053 58 D HN -0.036 nan 8.370 nan 0.000 0.507 59 I N 2.515 123.131 120.570 0.076 0.000 2.248 59 I HA -0.207 3.963 4.170 -0.000 0.000 0.248 59 I C 2.001 178.111 176.117 -0.011 0.000 1.107 59 I CA 1.085 62.381 61.300 -0.007 0.000 1.373 59 I CB -0.719 37.274 38.000 -0.013 0.000 1.055 59 I HN 0.468 nan 8.210 nan 0.000 0.418 60 E N 1.274 121.499 120.200 0.043 0.000 2.150 60 E HA -0.160 4.190 4.350 -0.000 0.000 0.193 60 E C 2.336 178.984 176.600 0.079 0.000 0.985 60 E CA 1.634 58.067 56.400 0.055 0.000 0.814 60 E CB -0.065 29.675 29.700 0.067 0.000 0.752 60 E HN 0.553 nan 8.360 nan 0.000 0.466 61 S N -0.530 115.248 115.700 0.129 0.000 2.395 61 S HA -0.035 4.435 4.470 -0.000 0.000 0.225 61 S C 2.093 176.790 174.600 0.161 0.000 1.027 61 S CA 0.609 58.932 58.200 0.205 0.000 0.965 61 S CB -0.501 62.909 63.200 0.350 0.000 0.812 61 S HN 0.293 nan 8.310 nan 0.000 0.482 62 L N 1.265 122.494 121.223 0.011 0.000 2.131 62 L HA -0.023 4.317 4.340 -0.000 0.000 0.210 62 L C 2.839 179.458 176.870 -0.418 0.000 1.092 62 L CA 1.489 56.154 54.840 -0.292 0.000 0.759 62 L CB -0.459 41.333 42.059 -0.447 0.000 0.903 62 L HN 0.370 nan 8.230 nan 0.000 0.435 63 K N 0.209 120.458 120.400 -0.252 0.000 2.283 63 K HA -0.170 4.150 4.320 -0.000 0.000 0.202 63 K C 1.708 178.438 176.600 0.216 0.000 1.048 63 K CA 0.990 57.226 56.287 -0.084 0.000 0.948 63 K CB 0.131 32.665 32.500 0.057 0.000 0.742 63 K HN 0.431 nan 8.250 nan 0.000 0.458 64 Q N 0.287 120.180 119.800 0.155 0.000 2.403 64 Q HA 0.123 4.463 4.340 -0.000 0.000 0.203 64 Q C -0.217 175.925 176.000 0.236 0.000 0.932 64 Q CA -0.014 55.906 55.803 0.195 0.000 0.945 64 Q CB 0.303 29.130 28.738 0.149 0.000 1.045 64 Q HN 0.253 nan 8.270 nan 0.000 0.511 65 L N 0.251 121.661 121.223 0.310 0.000 2.360 65 L HA 0.193 4.533 4.340 -0.000 0.000 0.271 65 L C 0.631 177.811 176.870 0.517 0.000 1.057 65 L CA -0.585 54.460 54.840 0.342 0.000 0.803 65 L CB 0.906 43.114 42.059 0.247 0.000 1.207 65 L HN -0.048 nan 8.230 nan 0.000 0.445 66 D N 0.648 121.253 120.400 0.343 0.000 2.327 66 D HA 0.241 4.881 4.640 -0.000 0.000 0.205 66 D C 0.233 176.727 176.300 0.323 0.000 0.989 66 D CA 0.575 54.728 54.000 0.255 0.000 0.873 66 D CB 0.830 41.733 40.800 0.170 0.000 0.955 66 D HN 0.547 nan 8.370 nan 0.000 0.515 67 A N -0.411 122.667 122.820 0.430 0.000 2.610 67 A HA 0.606 4.926 4.320 -0.000 0.000 0.291 67 A C -1.618 176.193 177.584 0.378 0.000 1.086 67 A CA -0.529 51.786 52.037 0.463 0.000 0.677 67 A CB 1.579 20.749 19.000 0.284 0.000 1.278 67 A HN -0.130 nan 8.150 nan 0.000 0.414 68 V N 1.209 121.315 119.914 0.320 0.000 2.733 68 V HA 0.471 4.591 4.120 -0.000 0.000 0.306 68 V C -0.970 175.030 176.094 -0.157 0.000 1.084 68 V CA -0.143 62.155 62.300 -0.003 0.000 0.905 68 V CB 1.742 33.463 31.823 -0.169 0.000 1.010 68 V HN 0.702 nan 8.190 nan 0.000 0.424 69 I N 3.585 124.038 120.570 -0.195 0.000 2.354 69 I HA 0.421 4.591 4.170 -0.000 0.000 0.286 69 I C 0.020 175.979 176.117 -0.264 0.000 1.007 69 I CA -0.157 61.015 61.300 -0.213 0.000 1.167 69 I CB 1.858 39.774 38.000 -0.140 0.000 1.320 69 I HN 0.611 nan 8.210 nan 0.000 0.458 70 T N 4.726 119.057 114.554 -0.372 0.000 2.779 70 T HA 0.323 4.673 4.350 -0.000 0.000 0.280 70 T C 0.089 174.674 174.700 -0.192 0.000 0.987 70 T CA -0.328 61.577 62.100 -0.326 0.000 0.966 70 T CB 0.798 69.406 68.868 -0.433 0.000 0.933 70 T HN 0.742 nan 8.240 nan 0.000 0.442 71 C N 4.221 123.428 119.300 -0.154 0.000 3.115 71 C HA 0.272 4.732 4.460 -0.000 0.000 0.277 71 C C 2.007 176.926 174.990 -0.119 0.000 1.460 71 C CA -0.504 58.453 59.018 -0.101 0.000 1.789 71 C CB -0.696 26.999 27.740 -0.074 0.000 2.674 71 C HN 0.961 nan 8.230 nan 0.000 0.582 72 Q N 2.038 121.721 119.800 -0.194 0.000 2.050 72 Q HA 0.255 4.595 4.340 -0.000 0.000 0.202 72 Q C 1.032 176.994 176.000 -0.063 0.000 0.980 72 Q CA 2.101 57.760 55.803 -0.241 0.000 0.840 72 Q CB -0.053 28.301 28.738 -0.641 0.000 0.898 72 Q HN 0.684 nan 8.270 nan 0.000 0.424 73 G N -3.758 105.071 108.800 0.048 0.000 2.347 73 G HA2 0.249 4.209 3.960 -0.000 0.000 0.321 73 G HA3 0.249 4.209 3.960 -0.000 0.000 0.321 73 G C 0.373 175.389 174.900 0.193 0.000 1.412 73 G CA -0.240 44.923 45.100 0.106 0.000 0.990 73 G HN 0.277 nan 8.290 nan 0.000 0.637 74 G N 0.086 108.976 108.800 0.150 0.000 2.459 74 G HA2 0.029 3.989 3.960 -0.000 0.000 0.217 74 G HA3 0.029 3.989 3.960 -0.000 0.000 0.217 74 G C 2.373 177.374 174.900 0.168 0.000 1.183 74 G CA 2.626 47.817 45.100 0.152 0.000 0.776 74 G HN 2.027 nan 8.290 nan 0.000 0.552 75 S N -0.296 115.501 115.700 0.162 0.000 2.400 75 S HA -0.223 4.247 4.470 -0.000 0.000 0.232 75 S C 2.152 176.884 174.600 0.221 0.000 1.025 75 S CA 1.585 59.883 58.200 0.162 0.000 0.993 75 S CB -0.648 62.640 63.200 0.148 0.000 0.808 75 S HN 0.520 nan 8.310 nan 0.000 0.478 76 Y N 2.918 123.319 120.300 0.168 0.000 2.114 76 Y HA -0.118 4.432 4.550 -0.000 0.000 0.284 76 Y C 2.596 178.637 175.900 0.235 0.000 1.143 76 Y CA 2.103 60.323 58.100 0.200 0.000 1.135 76 Y CB -1.119 37.399 38.460 0.097 0.000 0.980 76 Y HN 0.274 nan 8.280 nan 0.000 0.499 77 T N 0.765 115.463 114.554 0.240 0.000 2.684 77 T HA -0.225 4.125 4.350 -0.000 0.000 0.267 77 T C 1.590 176.316 174.700 0.043 0.000 1.036 77 T CA 1.964 64.207 62.100 0.239 0.000 1.148 77 T CB -0.330 68.755 68.868 0.362 0.000 0.863 77 T HN 0.505 nan 8.240 nan 0.000 0.436 78 E N 0.752 120.989 120.200 0.063 0.000 2.085 78 E HA -0.183 4.167 4.350 -0.000 0.000 0.194 78 E C 2.278 178.884 176.600 0.009 0.000 0.994 78 E CA 1.086 57.508 56.400 0.037 0.000 0.801 78 E CB -0.115 29.616 29.700 0.053 0.000 0.743 78 E HN 0.435 nan 8.360 nan 0.000 0.453 79 K N 0.740 121.147 120.400 0.011 0.000 2.007 79 K HA -0.100 4.220 4.320 -0.000 0.000 0.206 79 K C 2.097 178.672 176.600 -0.042 0.000 1.047 79 K CA 1.112 57.407 56.287 0.014 0.000 0.937 79 K CB 0.170 32.735 32.500 0.109 0.000 0.718 79 K HN -0.045 nan 8.250 nan 0.000 0.438 80 V N 0.382 120.202 119.914 -0.156 0.000 2.379 80 V HA -0.179 3.941 4.120 -0.000 0.000 0.243 80 V C 2.050 177.988 176.094 -0.260 0.000 1.035 80 V CA 1.428 63.599 62.300 -0.215 0.000 1.035 80 V CB -0.674 30.873 31.823 -0.460 0.000 0.673 80 V HN 0.341 nan 8.190 nan 0.000 0.457 81 Y N 2.216 122.204 120.300 -0.520 0.000 2.081 81 Y HA -0.217 4.333 4.550 -0.000 0.000 0.280 81 Y C 0.026 175.671 175.900 -0.426 0.000 1.163 81 Y CA 2.526 60.150 58.100 -0.794 0.000 1.135 81 Y CB -1.672 36.186 38.460 -1.004 0.000 0.970 81 Y HN 0.300 nan 8.280 nan 0.000 0.498 82 P HA -0.210 nan 4.420 nan 0.000 0.214 82 P C 1.520 178.669 177.300 -0.251 0.000 1.163 82 P CA 2.686 65.631 63.100 -0.257 0.000 0.883 82 P CB -0.385 31.259 31.700 -0.094 0.000 0.788 83 A N -0.968 121.744 122.820 -0.179 0.000 1.978 83 A HA -0.185 4.135 4.320 -0.000 0.000 0.220 83 A C 2.134 179.629 177.584 -0.148 0.000 1.170 83 A CA 1.467 53.427 52.037 -0.129 0.000 0.636 83 A CB -1.617 17.334 19.000 -0.081 0.000 0.810 83 A HN 0.154 nan 8.150 nan 0.000 0.448 84 L N -0.820 120.269 121.223 -0.224 0.000 2.072 84 L HA -0.023 4.317 4.340 -0.000 0.000 0.205 84 L C 2.343 179.143 176.870 -0.117 0.000 1.079 84 L CA 1.601 56.324 54.840 -0.195 0.000 0.752 84 L CB -0.490 41.396 42.059 -0.288 0.000 0.906 84 L HN 0.183 nan 8.230 nan 0.000 0.436 85 R N -0.461 119.864 120.500 -0.292 0.000 2.092 85 R HA -0.135 4.205 4.340 -0.000 0.000 0.231 85 R C 2.211 178.431 176.300 -0.132 0.000 1.119 85 R CA 1.414 57.373 56.100 -0.236 0.000 0.970 85 R CB -0.692 29.317 30.300 -0.486 0.000 0.864 85 R HN 0.581 nan 8.270 nan 0.000 0.440 86 Q N 0.071 119.785 119.800 -0.143 0.000 2.224 86 Q HA -0.008 4.332 4.340 -0.000 0.000 0.203 86 Q C 1.452 177.424 176.000 -0.045 0.000 0.970 86 Q CA 1.352 57.103 55.803 -0.087 0.000 0.865 86 Q CB 0.042 28.729 28.738 -0.086 0.000 0.922 86 Q HN 0.306 nan 8.270 nan 0.000 0.445 87 A N -0.600 122.201 122.820 -0.032 0.000 2.235 87 A HA 0.235 4.555 4.320 -0.000 0.000 0.208 87 A C 1.433 179.039 177.584 0.037 0.000 1.172 87 A CA 0.861 52.901 52.037 0.004 0.000 0.786 87 A CB -0.511 18.493 19.000 0.008 0.000 0.804 87 A HN 0.605 nan 8.150 nan 0.000 0.479 88 G N -2.748 106.070 108.800 0.029 0.000 2.175 88 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.244 88 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.244 88 G C -0.054 174.891 174.900 0.077 0.000 0.982 88 G CA 0.020 45.139 45.100 0.032 0.000 0.641 88 G HN 0.692 nan 8.290 nan 0.000 0.527 89 W N 2.476 123.728 121.300 -0.080 0.000 2.322 89 W HA 0.576 5.236 4.660 -0.000 0.000 0.328 89 W C 0.747 177.217 176.519 -0.081 0.000 1.395 89 W CA 0.117 57.424 57.345 -0.063 0.000 1.267 89 W CB 0.660 30.088 29.460 -0.054 0.000 1.259 89 W HN -0.058 nan 8.180 nan 0.000 0.560 90 K N 5.240 125.313 120.400 -0.545 0.000 2.537 90 K HA 0.231 4.551 4.320 -0.000 0.000 0.206 90 K C 0.667 176.701 176.600 -0.943 0.000 1.041 90 K CA -0.097 55.850 56.287 -0.567 0.000 1.090 90 K CB 0.444 32.738 32.500 -0.343 0.000 0.833 90 K HN 0.598 nan 8.250 nan 0.000 0.493 91 G N -0.005 107.676 108.800 -1.866 0.000 2.580 91 G HA2 0.229 4.189 3.960 -0.000 0.000 0.278 91 G HA3 0.229 4.189 3.960 -0.000 0.000 0.278 91 G C -0.834 173.383 174.900 -1.137 0.000 1.212 91 G CA -0.397 43.677 45.100 -1.710 0.000 0.939 91 G HN 0.078 nan 8.290 nan 0.000 0.513 92 Y N -0.407 119.729 120.300 -0.273 0.000 2.336 92 Y HA 0.251 4.801 4.550 -0.000 0.000 0.335 92 Y C 0.096 176.266 175.900 0.450 0.000 1.046 92 Y CA -0.370 57.811 58.100 0.135 0.000 1.198 92 Y CB 1.129 39.684 38.460 0.159 0.000 1.182 92 Y HN 0.466 nan 8.280 nan 0.000 0.502 93 W N 7.378 128.967 121.300 0.481 0.000 2.278 93 W HA 0.526 5.186 4.660 -0.000 0.000 0.317 93 W C -1.804 174.920 176.519 0.341 0.000 1.030 93 W CA -1.176 56.457 57.345 0.479 0.000 1.334 93 W CB 0.604 30.402 29.460 0.562 0.000 1.215 93 W HN 0.479 nan 8.180 nan 0.000 0.405 94 I N 6.246 126.868 120.570 0.087 0.000 2.328 94 I HA 0.110 4.280 4.170 -0.000 0.000 0.287 94 I C -0.192 175.822 176.117 -0.172 0.000 1.012 94 I CA -0.044 61.286 61.300 0.050 0.000 1.195 94 I CB 1.187 39.194 38.000 0.011 0.000 1.350 94 I HN 0.190 nan 8.210 nan 0.000 0.464 95 D N 4.323 124.703 120.400 -0.034 0.000 2.362 95 D HA 0.521 5.161 4.640 -0.000 0.000 0.247 95 D C 0.366 176.676 176.300 0.018 0.000 1.050 95 D CA -0.393 53.583 54.000 -0.039 0.000 0.839 95 D CB 2.476 43.386 40.800 0.183 0.000 1.283 95 D HN 0.552 nan 8.370 nan 0.000 0.477 96 A N 2.379 125.196 122.820 -0.005 0.000 2.095 96 A HA 0.463 4.783 4.320 -0.000 0.000 0.212 96 A C 1.073 178.680 177.584 0.039 0.000 1.162 96 A CA 0.688 52.729 52.037 0.006 0.000 0.753 96 A CB -0.139 18.848 19.000 -0.021 0.000 0.840 96 A HN 0.572 nan 8.150 nan 0.000 0.468 97 A N 0.275 123.137 122.820 0.069 0.000 2.386 97 A HA 0.432 4.752 4.320 -0.000 0.000 0.248 97 A C 1.439 179.076 177.584 0.088 0.000 1.082 97 A CA 0.398 52.490 52.037 0.091 0.000 0.789 97 A CB 0.155 19.236 19.000 0.134 0.000 1.025 97 A HN 0.939 nan 8.150 nan 0.000 0.490 98 S N 0.548 116.298 115.700 0.084 0.000 2.562 98 S HA -0.065 4.405 4.470 -0.000 0.000 0.221 98 S C 1.416 176.060 174.600 0.074 0.000 0.975 98 S CA 1.060 59.307 58.200 0.078 0.000 0.918 98 S CB -0.665 62.589 63.200 0.090 0.000 0.772 98 S HN 0.745 nan 8.310 nan 0.000 0.531 99 T N 3.749 118.349 114.554 0.076 0.000 2.592 99 T HA -0.113 4.237 4.350 -0.000 0.000 0.267 99 T C 1.428 176.133 174.700 0.008 0.000 1.060 99 T CA 2.019 64.150 62.100 0.052 0.000 1.167 99 T CB -0.596 68.305 68.868 0.057 0.000 0.863 99 T HN 0.468 nan 8.240 nan 0.000 0.431 100 L N 0.212 121.414 121.223 -0.035 0.000 2.592 100 L HA 0.305 4.645 4.340 -0.000 0.000 0.227 100 L C 2.505 179.350 176.870 -0.042 0.000 1.127 100 L CA -0.047 54.734 54.840 -0.098 0.000 0.884 100 L CB -0.450 41.446 42.059 -0.272 0.000 1.065 100 L HN 0.105 nan 8.230 nan 0.000 0.457 101 R N 0.963 121.464 120.500 0.001 0.000 2.119 101 R HA -0.178 4.162 4.340 -0.000 0.000 0.246 101 R C 1.553 177.849 176.300 -0.006 0.000 1.146 101 R CA 1.610 57.713 56.100 0.006 0.000 0.962 101 R CB 0.048 30.360 30.300 0.020 0.000 0.863 101 R HN 0.261 nan 8.270 nan 0.000 0.442 102 M N 0.849 120.456 119.600 0.012 0.000 2.475 102 M HA 0.143 4.623 4.480 -0.000 0.000 0.261 102 M C -0.782 175.525 176.300 0.011 0.000 1.177 102 M CA -0.058 55.251 55.300 0.014 0.000 0.979 102 M CB 0.083 32.720 32.600 0.061 0.000 1.482 102 M HN -0.111 nan 8.290 nan 0.000 0.484 103 D N 0.952 121.347 120.400 -0.008 0.000 2.350 103 D HA 0.076 4.716 4.640 -0.000 0.000 0.249 103 D C 1.154 177.443 176.300 -0.019 0.000 1.119 103 D CA 0.149 54.142 54.000 -0.011 0.000 0.886 103 D CB 1.513 42.296 40.800 -0.029 0.000 1.195 103 D HN -0.082 nan 8.370 nan 0.000 0.437 104 K N 2.096 122.491 120.400 -0.009 0.000 2.152 104 K HA -0.205 4.114 4.320 -0.000 0.000 0.206 104 K C 1.320 177.905 176.600 -0.025 0.000 1.048 104 K CA 1.463 57.743 56.287 -0.013 0.000 0.933 104 K CB 0.051 32.550 32.500 -0.003 0.000 0.721 104 K HN 0.631 nan 8.250 nan 0.000 0.447 105 E N -1.042 119.143 120.200 -0.025 0.000 2.482 105 E HA 0.057 4.407 4.350 -0.000 0.000 0.196 105 E C -0.062 176.486 176.600 -0.087 0.000 1.047 105 E CA 0.271 56.649 56.400 -0.037 0.000 0.869 105 E CB 0.136 29.833 29.700 -0.006 0.000 0.836 105 E HN 0.219 nan 8.360 nan 0.000 0.520 106 A N 1.333 124.097 122.820 -0.094 0.000 2.325 106 A HA 0.635 4.955 4.320 -0.000 0.000 0.333 106 A C -0.572 176.927 177.584 -0.141 0.000 1.155 106 A CA -0.744 51.207 52.037 -0.144 0.000 0.814 106 A CB 0.865 19.804 19.000 -0.102 0.000 1.206 106 A HN 0.228 nan 8.150 nan 0.000 0.482 107 I N 2.101 122.545 120.570 -0.209 0.000 2.433 107 I HA 0.294 4.464 4.170 -0.000 0.000 0.292 107 I C -0.582 175.555 176.117 0.033 0.000 1.001 107 I CA -0.402 60.846 61.300 -0.087 0.000 1.119 107 I CB 1.741 39.697 38.000 -0.074 0.000 1.289 107 I HN 0.511 nan 8.210 nan 0.000 0.438 108 I N 4.831 125.426 120.570 0.041 0.000 2.396 108 I HA 0.072 4.242 4.170 -0.000 0.000 0.289 108 I C 0.653 176.829 176.117 0.098 0.000 1.056 108 I CA 0.192 61.526 61.300 0.056 0.000 1.365 108 I CB 1.022 39.025 38.000 0.006 0.000 1.407 108 I HN 0.517 nan 8.210 nan 0.000 0.509 109 T N 7.785 122.418 114.554 0.133 0.000 2.728 109 T HA 0.470 4.820 4.350 -0.000 0.000 0.296 109 T C -0.507 174.234 174.700 0.068 0.000 0.940 109 T CA -0.336 61.839 62.100 0.124 0.000 1.013 109 T CB 0.227 69.180 68.868 0.141 0.000 0.912 109 T HN 0.399 nan 8.240 nan 0.000 0.484 110 L N 5.852 127.105 121.223 0.049 0.000 2.400 110 L HA 0.340 4.680 4.340 -0.000 0.000 0.261 110 L C 0.880 177.760 176.870 0.017 0.000 1.554 110 L CA -0.240 54.618 54.840 0.030 0.000 0.774 110 L CB 0.612 42.665 42.059 -0.009 0.000 0.964 110 L HN 0.813 nan 8.230 nan 0.000 0.524 111 D N -0.286 120.133 120.400 0.032 0.000 2.203 111 D HA -0.196 4.444 4.640 -0.000 0.000 0.199 111 D C -1.137 175.182 176.300 0.031 0.000 0.997 111 D CA 1.273 55.290 54.000 0.029 0.000 0.863 111 D CB -0.604 40.209 40.800 0.021 0.000 0.928 111 D HN 0.402 nan 8.370 nan 0.000 0.458 112 P HA -0.069 nan 4.420 nan 0.000 0.225 112 P C 1.107 178.447 177.300 0.066 0.000 1.148 112 P CA 0.743 63.862 63.100 0.031 0.000 0.779 112 P CB 0.221 31.884 31.700 -0.061 0.000 0.780 113 V N -0.438 119.524 119.914 0.080 0.000 2.788 113 V HA 0.065 4.185 4.120 -0.000 0.000 0.241 113 V C 1.183 177.325 176.094 0.080 0.000 1.083 113 V CA 1.368 63.751 62.300 0.138 0.000 1.103 113 V CB -0.546 31.304 31.823 0.045 0.000 0.800 113 V HN 0.231 nan 8.190 nan 0.000 0.476 114 N N 0.076 118.803 118.700 0.045 0.000 2.553 114 N HA 0.155 4.895 4.740 -0.000 0.000 0.298 114 N C 0.892 176.428 175.510 0.044 0.000 1.596 114 N CA -0.174 52.901 53.050 0.041 0.000 0.910 114 N CB 0.085 38.591 38.487 0.032 0.000 1.336 114 N HN 0.335 nan 8.380 nan 0.000 0.497 115 L N 0.487 121.732 121.223 0.037 0.000 2.013 115 L HA -0.172 4.168 4.340 -0.000 0.000 0.212 115 L C 2.338 179.233 176.870 0.042 0.000 1.073 115 L CA 1.674 56.532 54.840 0.030 0.000 0.753 115 L CB -0.103 41.971 42.059 0.026 0.000 0.890 115 L HN 0.322 nan 8.230 nan 0.000 0.432 116 K N -0.486 119.944 120.400 0.049 0.000 2.063 116 K HA -0.301 4.019 4.320 -0.000 0.000 0.208 116 K C 2.139 178.792 176.600 0.089 0.000 1.048 116 K CA 1.993 58.322 56.287 0.068 0.000 0.928 116 K CB -0.147 32.385 32.500 0.053 0.000 0.713 116 K HN 0.402 nan 8.250 nan 0.000 0.442 117 Q N 0.510 120.351 119.800 0.067 0.000 2.084 117 Q HA -0.163 4.177 4.340 -0.000 0.000 0.202 117 Q C 2.056 178.142 176.000 0.143 0.000 0.978 117 Q CA 1.661 57.509 55.803 0.075 0.000 0.844 117 Q CB -0.058 28.708 28.738 0.047 0.000 0.898 117 Q HN 0.406 nan 8.270 nan 0.000 0.426 118 I N 0.500 121.153 120.570 0.138 0.000 2.179 118 I HA -0.314 3.855 4.170 -0.000 0.000 0.242 118 I C 2.241 178.428 176.117 0.117 0.000 1.088 118 I CA 0.918 62.336 61.300 0.195 0.000 1.357 118 I CB -0.242 37.801 38.000 0.071 0.000 1.051 118 I HN 0.256 nan 8.210 nan 0.000 0.409 119 L N -0.188 121.047 121.223 0.021 0.000 2.017 119 L HA -0.263 4.077 4.340 -0.000 0.000 0.208 119 L C 2.807 179.601 176.870 -0.126 0.000 1.073 119 L CA 1.413 56.171 54.840 -0.137 0.000 0.745 119 L CB -0.979 41.062 42.059 -0.030 0.000 0.894 119 L HN 0.396 nan 8.230 nan 0.000 0.432 120 H N 0.310 119.403 119.070 0.039 0.000 2.421 120 H HA -0.131 4.425 4.556 -0.000 0.000 0.298 120 H C 1.953 177.362 175.328 0.136 0.000 1.087 120 H CA 1.633 57.752 56.048 0.118 0.000 1.330 120 H CB 0.139 29.907 29.762 0.010 0.000 1.388 120 H HN 0.337 nan 8.280 nan 0.000 0.526 121 G N 0.764 109.709 108.800 0.243 0.000 2.394 121 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.215 121 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.215 121 G C 2.027 177.075 174.900 0.247 0.000 1.165 121 G CA 0.643 45.887 45.100 0.239 0.000 0.784 121 G HN 0.400 nan 8.290 nan 0.000 0.535 122 I N 0.363 121.063 120.570 0.216 0.000 2.252 122 I HA -0.130 4.040 4.170 -0.000 0.000 0.245 122 I C 2.249 178.435 176.117 0.116 0.000 1.102 122 I CA 0.811 62.222 61.300 0.186 0.000 1.385 122 I CB -0.283 37.680 38.000 -0.061 0.000 1.064 122 I HN 0.154 nan 8.210 nan 0.000 0.414 123 H N -0.574 118.585 119.070 0.149 0.000 2.546 123 H HA -0.028 4.528 4.556 -0.000 0.000 0.277 123 H C 0.698 175.960 175.328 -0.109 0.000 1.004 123 H CA 0.964 57.038 56.048 0.042 0.000 1.231 123 H CB -0.262 29.533 29.762 0.054 0.000 1.382 123 H HN 0.465 nan 8.280 nan 0.000 0.580 124 H N -1.342 117.730 119.070 0.004 0.000 2.510 124 H HA 0.345 4.901 4.556 -0.000 0.000 0.266 124 H C 1.265 176.596 175.328 0.005 0.000 1.146 124 H CA 0.185 56.212 56.048 -0.035 0.000 0.993 124 H CB 0.618 30.302 29.762 -0.129 0.000 1.727 124 H HN 0.410 nan 8.280 nan 0.000 0.590 125 G N 0.456 109.310 108.800 0.090 0.000 2.157 125 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.248 125 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.248 125 G C 0.386 175.302 174.900 0.026 0.000 0.979 125 G CA 0.293 45.416 45.100 0.038 0.000 0.650 125 G HN 0.378 nan 8.290 nan 0.000 0.529 126 T N 0.287 114.888 114.554 0.079 0.000 2.814 126 T HA 0.476 4.825 4.350 -0.000 0.000 0.297 126 T C 1.081 175.803 174.700 0.036 0.000 0.956 126 T CA 0.413 62.502 62.100 -0.018 0.000 1.123 126 T CB 1.340 70.139 68.868 -0.115 0.000 0.902 126 T HN 0.175 nan 8.240 nan 0.000 0.528 127 K N 1.334 121.692 120.400 -0.070 0.000 2.402 127 K HA 0.227 4.547 4.320 -0.000 0.000 0.204 127 K C 0.117 176.819 176.600 0.169 0.000 1.056 127 K CA 0.092 56.368 56.287 -0.019 0.000 1.069 127 K CB 1.042 33.376 32.500 -0.277 0.000 0.888 127 K HN 0.457 nan 8.250 nan 0.000 0.546 128 T N 0.708 115.216 114.554 -0.077 0.000 2.815 128 T HA 0.510 4.860 4.350 -0.000 0.000 0.289 128 T C -1.137 173.381 174.700 -0.303 0.000 1.000 128 T CA -0.462 61.658 62.100 0.034 0.000 0.958 128 T CB 0.519 69.404 68.868 0.027 0.000 0.944 128 T HN -0.149 nan 8.240 nan 0.000 0.442 129 F N 2.090 122.165 119.950 0.208 0.000 2.518 129 F HA 0.650 5.177 4.527 -0.000 0.000 0.323 129 F C -0.196 175.666 175.800 0.103 0.000 1.129 129 F CA -1.028 57.046 58.000 0.123 0.000 0.920 129 F CB 1.712 40.767 39.000 0.091 0.000 1.160 129 F HN 0.186 nan 8.300 nan 0.000 0.440 130 V N 2.098 122.133 119.914 0.202 0.000 2.604 130 V HA 0.700 4.820 4.120 -0.000 0.000 0.305 130 V C 0.351 176.504 176.094 0.098 0.000 1.043 130 V CA -1.073 61.306 62.300 0.132 0.000 0.888 130 V CB 1.785 33.658 31.823 0.084 0.000 0.995 130 V HN 0.905 nan 8.190 nan 0.000 0.429 131 G N 2.318 111.160 108.800 0.071 0.000 2.483 131 G HA2 0.494 4.454 3.960 -0.000 0.000 0.248 131 G HA3 0.494 4.454 3.960 -0.000 0.000 0.248 131 G C 0.412 175.334 174.900 0.037 0.000 1.248 131 G CA 0.328 45.456 45.100 0.048 0.000 0.838 131 G HN 1.061 nan 8.290 nan 0.000 0.566 132 G N 0.150 108.965 108.800 0.025 0.000 2.547 132 G HA2 0.339 4.299 3.960 -0.000 0.000 0.291 132 G HA3 0.339 4.299 3.960 -0.000 0.000 0.291 132 G C 0.251 175.158 174.900 0.011 0.000 1.211 132 G CA -0.670 44.433 45.100 0.005 0.000 0.950 132 G HN 0.778 nan 8.290 nan 0.000 0.504 133 N N -1.127 117.573 118.700 0.001 0.000 2.412 133 N HA -0.061 4.678 4.740 -0.000 0.000 0.258 133 N C 1.845 177.375 175.510 0.033 0.000 1.236 133 N CA 0.376 53.440 53.050 0.024 0.000 0.882 133 N CB 0.543 39.039 38.487 0.015 0.000 1.066 133 N HN 0.616 nan 8.380 nan 0.000 0.465 134 C N 1.478 120.812 119.300 0.056 0.000 2.396 134 C HA -0.159 4.301 4.460 -0.000 0.000 0.277 134 C C 2.131 177.175 174.990 0.090 0.000 1.231 134 C CA 1.398 60.449 59.018 0.054 0.000 1.775 134 C CB -1.586 26.167 27.740 0.022 0.000 2.036 134 C HN 0.763 nan 8.230 nan 0.000 0.484 135 T N 1.312 115.948 114.554 0.136 0.000 2.821 135 T HA -0.078 4.272 4.350 -0.000 0.000 0.267 135 T C 1.942 176.658 174.700 0.027 0.000 1.046 135 T CA 1.756 63.930 62.100 0.123 0.000 1.139 135 T CB -0.366 68.556 68.868 0.089 0.000 0.871 135 T HN 0.515 nan 8.240 nan 0.000 0.454 136 V N 1.572 121.481 119.914 -0.009 0.000 2.358 136 V HA -0.156 3.964 4.120 -0.000 0.000 0.246 136 V C 2.726 178.777 176.094 -0.073 0.000 1.047 136 V CA 1.726 63.987 62.300 -0.065 0.000 1.035 136 V CB -0.820 30.951 31.823 -0.087 0.000 0.658 136 V HN 0.428 nan 8.190 nan 0.000 0.452 137 S N 0.263 115.940 115.700 -0.038 0.000 2.356 137 S HA -0.116 4.354 4.470 -0.000 0.000 0.223 137 S C 1.905 176.469 174.600 -0.059 0.000 1.032 137 S CA 1.550 59.726 58.200 -0.039 0.000 1.005 137 S CB -0.374 62.838 63.200 0.020 0.000 0.867 137 S HN 0.472 nan 8.310 nan 0.000 0.449 138 L N 0.882 122.094 121.223 -0.019 0.000 2.141 138 L HA -0.043 4.297 4.340 -0.000 0.000 0.209 138 L C 2.660 179.496 176.870 -0.056 0.000 1.094 138 L CA 0.837 55.663 54.840 -0.023 0.000 0.763 138 L CB -0.474 41.602 42.059 0.029 0.000 0.908 138 L HN 0.355 nan 8.230 nan 0.000 0.437 139 M N 0.245 119.810 119.600 -0.058 0.000 2.099 139 M HA -0.166 4.314 4.480 -0.000 0.000 0.262 139 M C 2.196 178.436 176.300 -0.099 0.000 1.067 139 M CA 1.928 57.188 55.300 -0.067 0.000 1.124 139 M CB -0.377 32.183 32.600 -0.067 0.000 1.353 139 M HN 0.226 nan 8.290 nan 0.000 0.410 140 L N -0.370 120.761 121.223 -0.153 0.000 2.217 140 L HA -0.183 4.156 4.340 -0.000 0.000 0.211 140 L C 2.424 179.181 176.870 -0.189 0.000 1.107 140 L CA 0.493 55.215 54.840 -0.197 0.000 0.783 140 L CB -0.523 41.400 42.059 -0.227 0.000 0.919 140 L HN 0.281 nan 8.230 nan 0.000 0.442 141 M N -0.710 118.779 119.600 -0.185 0.000 2.296 141 M HA -0.087 4.393 4.480 -0.000 0.000 0.265 141 M C 2.338 178.561 176.300 -0.128 0.000 1.064 141 M CA 1.456 56.624 55.300 -0.220 0.000 1.109 141 M CB -0.988 31.385 32.600 -0.378 0.000 1.396 141 M HN 0.266 nan 8.290 nan 0.000 0.430 142 A N -0.587 122.173 122.820 -0.101 0.000 1.911 142 A HA 0.117 4.437 4.320 -0.000 0.000 0.212 142 A C 1.850 179.399 177.584 -0.058 0.000 1.189 142 A CA 0.553 52.556 52.037 -0.056 0.000 0.639 142 A CB -0.175 18.800 19.000 -0.042 0.000 0.839 142 A HN 0.448 nan 8.150 nan 0.000 0.449 143 L N -0.437 120.752 121.223 -0.056 0.000 2.818 143 L HA 0.214 4.554 4.340 -0.000 0.000 0.243 143 L C 2.144 178.977 176.870 -0.061 0.000 1.185 143 L CA 0.244 55.075 54.840 -0.015 0.000 0.988 143 L CB 0.019 42.150 42.059 0.120 0.000 1.292 143 L HN 0.427 nan 8.230 nan 0.000 0.519 144 G N 0.813 109.413 108.800 -0.334 0.000 2.469 144 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.220 144 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.220 144 G C 1.545 176.082 174.900 -0.604 0.000 1.136 144 G CA 0.939 45.604 45.100 -0.725 0.000 0.759 144 G HN 0.485 nan 8.290 nan 0.000 0.562 145 G N 0.610 109.169 108.800 -0.403 0.000 2.450 145 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.220 145 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.220 145 G C 1.752 176.625 174.900 -0.046 0.000 1.130 145 G CA 0.861 45.936 45.100 -0.042 0.000 0.760 145 G HN 0.455 nan 8.290 nan 0.000 0.557 146 L N -1.587 119.578 121.223 -0.097 0.000 2.102 146 L HA 0.097 4.437 4.340 -0.000 0.000 0.202 146 L C 2.606 179.366 176.870 -0.183 0.000 1.076 146 L CA 0.586 55.331 54.840 -0.160 0.000 0.761 146 L CB -0.526 41.384 42.059 -0.249 0.000 0.921 146 L HN 0.100 nan 8.230 nan 0.000 0.444 147 Y N 0.653 120.882 120.300 -0.117 0.000 2.224 147 Y HA -0.275 4.275 4.550 -0.000 0.000 0.289 147 Y C 2.720 178.580 175.900 -0.067 0.000 1.146 147 Y CA 1.677 59.720 58.100 -0.095 0.000 1.182 147 Y CB -0.274 38.121 38.460 -0.108 0.000 0.983 147 Y HN 0.245 nan 8.280 nan 0.000 0.524 148 E N 0.679 120.932 120.200 0.088 0.000 2.118 148 E HA -0.233 4.117 4.350 -0.000 0.000 0.195 148 E C 1.425 178.050 176.600 0.043 0.000 0.992 148 E CA 1.198 57.646 56.400 0.080 0.000 0.804 148 E CB -0.054 29.726 29.700 0.134 0.000 0.741 148 E HN 0.430 nan 8.360 nan 0.000 0.458 149 R N -0.867 119.637 120.500 0.007 0.000 2.356 149 R HA 0.132 4.472 4.340 -0.000 0.000 0.234 149 R C 0.903 177.179 176.300 -0.039 0.000 0.929 149 R CA 0.410 56.500 56.100 -0.016 0.000 1.084 149 R CB 0.495 30.777 30.300 -0.030 0.000 1.105 149 R HN 0.254 nan 8.270 nan 0.000 0.515 150 G N 1.346 110.125 108.800 -0.035 0.000 2.321 150 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.287 150 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.287 150 G C 0.459 175.297 174.900 -0.103 0.000 1.018 150 G CA -0.004 45.067 45.100 -0.049 0.000 0.855 150 G HN 0.204 nan 8.290 nan 0.000 0.507 151 L N -0.496 120.633 121.223 -0.157 0.000 2.558 151 L HA 0.260 4.600 4.340 -0.000 0.000 0.225 151 L C 1.454 178.160 176.870 -0.274 0.000 1.128 151 L CA 0.448 55.174 54.840 -0.191 0.000 0.868 151 L CB 0.428 42.378 42.059 -0.182 0.000 1.006 151 L HN 0.183 nan 8.230 nan 0.000 0.454 152 V N -0.162 119.539 119.914 -0.354 0.000 2.385 152 V HA 0.102 4.222 4.120 -0.000 0.000 0.269 152 V C 1.398 177.334 176.094 -0.264 0.000 1.043 152 V CA -0.321 61.723 62.300 -0.427 0.000 0.906 152 V CB 1.380 32.745 31.823 -0.764 0.000 0.995 152 V HN 0.282 nan 8.190 nan 0.000 0.467 153 E N 5.631 125.649 120.200 -0.304 0.000 2.051 153 E HA 0.012 4.362 4.350 -0.000 0.000 0.189 153 E C 0.181 176.780 176.600 -0.001 0.000 0.979 153 E CA 0.903 57.193 56.400 -0.184 0.000 0.803 153 E CB 0.442 29.963 29.700 -0.300 0.000 0.761 153 E HN 0.783 nan 8.360 nan 0.000 0.451 154 W N -1.113 120.124 121.300 -0.105 0.000 2.989 154 W HA 0.481 5.141 4.660 -0.000 0.000 0.344 154 W C -1.539 174.951 176.519 -0.048 0.000 1.233 154 W CA -1.021 56.294 57.345 -0.050 0.000 1.187 154 W CB 0.393 29.831 29.460 -0.037 0.000 1.443 154 W HN -0.136 nan 8.180 nan 0.000 0.573 155 M N 3.133 123.057 119.600 0.539 0.000 2.322 155 M HA 0.356 4.836 4.480 -0.000 0.000 0.285 155 M C -1.661 174.882 176.300 0.407 0.000 1.119 155 M CA -0.103 55.434 55.300 0.395 0.000 0.953 155 M CB 2.424 35.151 32.600 0.212 0.000 1.701 155 M HN 0.443 nan 8.290 nan 0.000 0.479 156 S N 3.210 119.163 115.700 0.422 0.000 2.442 156 S HA 0.868 5.337 4.470 -0.000 0.000 0.297 156 S C -0.821 173.884 174.600 0.175 0.000 1.131 156 S CA -0.369 57.983 58.200 0.253 0.000 1.092 156 S CB 1.037 64.397 63.200 0.267 0.000 0.998 156 S HN 0.752 nan 8.310 nan 0.000 0.478 157 A N 6.246 129.132 122.820 0.109 0.000 2.311 157 A HA 0.711 5.031 4.320 -0.000 0.000 0.306 157 A C -0.590 177.028 177.584 0.057 0.000 1.189 157 A CA -0.736 51.351 52.037 0.082 0.000 0.791 157 A CB 0.684 19.716 19.000 0.054 0.000 1.172 157 A HN 0.729 nan 8.150 nan 0.000 0.481 158 M N 3.255 122.907 119.600 0.087 0.000 2.101 158 M HA 0.335 4.815 4.480 -0.000 0.000 0.340 158 M C 0.455 176.813 176.300 0.096 0.000 1.057 158 M CA -0.269 55.062 55.300 0.053 0.000 0.984 158 M CB 0.629 33.277 32.600 0.079 0.000 1.560 158 M HN 0.825 nan 8.290 nan 0.000 0.435 159 T N 0.217 114.766 114.554 -0.008 0.000 2.944 159 T HA 0.693 5.043 4.350 -0.000 0.000 0.284 159 T C -0.846 173.822 174.700 -0.053 0.000 1.010 159 T CA -0.399 61.734 62.100 0.055 0.000 1.025 159 T CB 1.221 70.064 68.868 -0.042 0.000 1.079 159 T HN 0.457 nan 8.240 nan 0.000 0.516 160 Y N 0.584 120.850 120.300 -0.056 0.000 2.705 160 Y HA 0.369 4.919 4.550 -0.000 0.000 0.355 160 Y C 0.264 176.123 175.900 -0.068 0.000 1.039 160 Y CA -1.033 57.061 58.100 -0.011 0.000 1.233 160 Y CB 0.718 39.230 38.460 0.087 0.000 1.103 160 Y HN 0.629 nan 8.280 nan 0.000 0.624 161 Q N 1.749 121.501 119.800 -0.080 0.000 2.256 161 Q HA 0.711 5.050 4.340 -0.000 0.000 0.254 161 Q C 0.077 176.103 176.000 0.043 0.000 0.916 161 Q CA -0.809 54.806 55.803 -0.314 0.000 0.932 161 Q CB 1.903 30.232 28.738 -0.682 0.000 1.207 161 Q HN 0.706 nan 8.270 nan 0.000 0.426 162 A N 1.742 124.770 122.820 0.348 0.000 2.425 162 A HA 0.343 4.663 4.320 -0.000 0.000 0.242 162 A C 1.091 178.850 177.584 0.291 0.000 1.077 162 A CA 0.461 52.682 52.037 0.306 0.000 0.781 162 A CB 0.261 19.434 19.000 0.288 0.000 1.020 162 A HN 0.962 nan 8.150 nan 0.000 0.494 163 A N 1.219 124.180 122.820 0.235 0.000 1.902 163 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 163 A C 2.405 180.166 177.584 0.295 0.000 1.181 163 A CA 2.395 54.640 52.037 0.347 0.000 0.623 163 A CB -1.275 17.933 19.000 0.345 0.000 0.818 163 A HN 1.779 nan 8.150 nan 0.000 0.443 164 S N -0.261 115.554 115.700 0.193 0.000 2.420 164 S HA -0.071 4.399 4.470 -0.000 0.000 0.237 164 S C 1.923 176.589 174.600 0.111 0.000 1.023 164 S CA 1.389 59.659 58.200 0.117 0.000 0.991 164 S CB -1.205 62.034 63.200 0.065 0.000 0.792 164 S HN 0.755 nan 8.310 nan 0.000 0.488 165 G N 1.070 109.979 108.800 0.182 0.000 2.448 165 G HA2 0.133 4.093 3.960 -0.000 0.000 0.219 165 G HA3 0.133 4.093 3.960 -0.000 0.000 0.219 165 G C 1.434 176.431 174.900 0.163 0.000 1.127 165 G CA 0.626 45.843 45.100 0.194 0.000 0.766 165 G HN 0.823 nan 8.290 nan 0.000 0.552 166 A N -0.796 122.123 122.820 0.165 0.000 2.195 166 A HA 0.591 4.911 4.320 -0.000 0.000 0.210 166 A C 1.173 178.764 177.584 0.011 0.000 1.165 166 A CA 1.259 53.352 52.037 0.094 0.000 0.806 166 A CB -0.002 19.058 19.000 0.100 0.000 0.847 166 A HN 1.596 nan 8.150 nan 0.000 0.482 167 G N -3.284 105.527 108.800 0.020 0.000 2.321 167 G HA2 0.452 4.412 3.960 -0.000 0.000 0.339 167 G HA3 0.452 4.412 3.960 -0.000 0.000 0.339 167 G C 0.500 175.392 174.900 -0.013 0.000 1.518 167 G CA -0.208 44.883 45.100 -0.014 0.000 0.994 167 G HN 0.964 nan 8.290 nan 0.000 0.668 168 A N -0.201 122.609 122.820 -0.017 0.000 1.933 168 A HA -0.013 4.307 4.320 -0.000 0.000 0.218 168 A C 2.222 179.795 177.584 -0.018 0.000 1.175 168 A CA 2.441 54.471 52.037 -0.010 0.000 0.628 168 A CB -0.359 18.630 19.000 -0.018 0.000 0.814 168 A HN 0.629 nan 8.150 nan 0.000 0.444 169 Q N 0.234 120.007 119.800 -0.046 0.000 2.224 169 Q HA -0.090 4.250 4.340 -0.000 0.000 0.203 169 Q C 1.664 177.615 176.000 -0.081 0.000 0.970 169 Q CA 1.115 56.883 55.803 -0.059 0.000 0.865 169 Q CB -0.539 28.153 28.738 -0.077 0.000 0.922 169 Q HN 0.742 nan 8.270 nan 0.000 0.445 170 N N 0.094 118.716 118.700 -0.129 0.000 2.270 170 N HA -0.085 4.655 4.740 -0.000 0.000 0.181 170 N C 1.771 177.357 175.510 0.127 0.000 1.016 170 N CA 0.733 53.656 53.050 -0.212 0.000 0.870 170 N CB -0.061 38.190 38.487 -0.393 0.000 0.979 170 N HN 0.258 nan 8.380 nan 0.000 0.431 171 M N 1.154 120.817 119.600 0.104 0.000 2.156 171 M HA -0.077 4.403 4.480 -0.000 0.000 0.264 171 M C 2.020 178.380 176.300 0.100 0.000 1.067 171 M CA 1.263 56.642 55.300 0.133 0.000 1.131 171 M CB 0.091 32.742 32.600 0.087 0.000 1.368 171 M HN -0.010 nan 8.290 nan 0.000 0.416 172 R N -0.086 120.446 120.500 0.054 0.000 2.081 172 R HA -0.208 4.132 4.340 -0.000 0.000 0.235 172 R C 2.127 178.450 176.300 0.038 0.000 1.131 172 R CA 1.979 58.098 56.100 0.032 0.000 0.960 172 R CB -0.497 29.806 30.300 0.005 0.000 0.856 172 R HN 0.536 nan 8.270 nan 0.000 0.436 173 E N 0.826 121.059 120.200 0.055 0.000 2.110 173 E HA -0.216 4.134 4.350 -0.000 0.000 0.193 173 E C 1.915 178.577 176.600 0.104 0.000 0.988 173 E CA 0.920 57.359 56.400 0.066 0.000 0.804 173 E CB -0.006 29.752 29.700 0.096 0.000 0.745 173 E HN 0.142 nan 8.360 nan 0.000 0.458 174 L N 0.929 122.266 121.223 0.191 0.000 2.017 174 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 174 L C 2.070 178.978 176.870 0.064 0.000 1.073 174 L CA 1.745 56.666 54.840 0.136 0.000 0.745 174 L CB -0.363 41.786 42.059 0.150 0.000 0.894 174 L HN 0.243 nan 8.230 nan 0.000 0.432 175 I N -1.073 119.531 120.570 0.057 0.000 2.394 175 I HA -0.226 3.944 4.170 -0.000 0.000 0.251 175 I C 2.331 178.453 176.117 0.008 0.000 1.136 175 I CA 1.078 62.399 61.300 0.035 0.000 1.425 175 I CB -0.471 37.550 38.000 0.034 0.000 1.079 175 I HN 0.209 nan 8.210 nan 0.000 0.425 176 S N 0.335 116.026 115.700 -0.016 0.000 2.355 176 S HA -0.204 4.266 4.470 -0.000 0.000 0.222 176 S C 1.980 176.511 174.600 -0.116 0.000 1.031 176 S CA 1.220 59.384 58.200 -0.060 0.000 0.993 176 S CB -0.268 62.883 63.200 -0.082 0.000 0.859 176 S HN 0.476 nan 8.310 nan 0.000 0.453 177 Q N 0.477 120.175 119.800 -0.169 0.000 2.135 177 Q HA -0.072 4.268 4.340 -0.000 0.000 0.204 177 Q C 2.230 178.242 176.000 0.020 0.000 0.981 177 Q CA 1.232 56.864 55.803 -0.286 0.000 0.856 177 Q CB -0.323 28.298 28.738 -0.195 0.000 0.902 177 Q HN 0.539 nan 8.270 nan 0.000 0.425 178 M N -0.250 119.378 119.600 0.047 0.000 2.117 178 M HA -0.137 4.343 4.480 -0.000 0.000 0.262 178 M C 2.239 178.580 176.300 0.069 0.000 1.065 178 M CA 1.629 56.976 55.300 0.078 0.000 1.114 178 M CB -0.548 32.087 32.600 0.057 0.000 1.361 178 M HN 0.361 nan 8.290 nan 0.000 0.408 179 G N -0.396 108.425 108.800 0.036 0.000 2.418 179 G HA2 -0.136 3.823 3.960 -0.000 0.000 0.217 179 G HA3 -0.136 3.823 3.960 -0.000 0.000 0.217 179 G C 1.444 176.375 174.900 0.050 0.000 1.158 179 G CA 0.746 45.866 45.100 0.033 0.000 0.771 179 G HN 0.323 nan 8.290 nan 0.000 0.545 180 V N 1.108 121.051 119.914 0.048 0.000 2.407 180 V HA -0.144 3.976 4.120 -0.000 0.000 0.248 180 V C 2.755 178.961 176.094 0.186 0.000 1.055 180 V CA 1.387 63.747 62.300 0.101 0.000 1.049 180 V CB -0.358 31.502 31.823 0.062 0.000 0.662 180 V HN 0.387 nan 8.190 nan 0.000 0.455 181 I N 0.478 121.189 120.570 0.235 0.000 2.179 181 I HA -0.247 3.922 4.170 -0.000 0.000 0.242 181 I C 2.580 178.758 176.117 0.102 0.000 1.088 181 I CA 1.870 63.283 61.300 0.188 0.000 1.357 181 I CB -0.528 37.580 38.000 0.179 0.000 1.051 181 I HN 0.425 nan 8.210 nan 0.000 0.409 182 N N 0.962 119.713 118.700 0.084 0.000 2.142 182 N HA -0.216 4.524 4.740 -0.000 0.000 0.186 182 N C 1.413 176.953 175.510 0.050 0.000 1.023 182 N CA 1.706 54.790 53.050 0.057 0.000 0.852 182 N CB -0.114 38.402 38.487 0.048 0.000 0.998 182 N HN 0.226 nan 8.380 nan 0.000 0.424 183 D N 0.951 121.383 120.400 0.054 0.000 2.116 183 D HA -0.134 4.506 4.640 -0.000 0.000 0.193 183 D C 1.800 178.126 176.300 0.044 0.000 0.998 183 D CA 1.415 55.442 54.000 0.045 0.000 0.836 183 D CB -0.556 40.272 40.800 0.047 0.000 0.951 183 D HN 0.428 nan 8.370 nan 0.000 0.449 184 A N 0.150 123.004 122.820 0.056 0.000 2.024 184 A HA -0.107 4.213 4.320 -0.000 0.000 0.220 184 A C 1.935 179.538 177.584 0.032 0.000 1.164 184 A CA 1.863 53.928 52.037 0.046 0.000 0.643 184 A CB -0.145 18.888 19.000 0.055 0.000 0.806 184 A HN 0.271 nan 8.150 nan 0.000 0.451 185 V N -2.968 116.964 119.914 0.031 0.000 3.078 185 V HA 0.172 4.292 4.120 -0.000 0.000 0.344 185 V C 1.430 177.537 176.094 0.022 0.000 1.409 185 V CA 0.664 62.978 62.300 0.023 0.000 1.146 185 V CB -0.702 31.133 31.823 0.019 0.000 1.126 185 V HN 0.506 nan 8.190 nan 0.000 0.513 186 S N 0.842 116.556 115.700 0.024 0.000 2.383 186 S HA -0.200 4.270 4.470 -0.000 0.000 0.229 186 S C 1.883 176.493 174.600 0.017 0.000 1.030 186 S CA 1.954 60.166 58.200 0.021 0.000 1.002 186 S CB -0.676 62.537 63.200 0.022 0.000 0.829 186 S HN 0.623 nan 8.310 nan 0.000 0.467 187 S N 2.213 117.923 115.700 0.016 0.000 2.345 187 S HA -0.045 4.425 4.470 -0.000 0.000 0.220 187 S C 1.936 176.543 174.600 0.012 0.000 1.031 187 S CA 1.383 59.591 58.200 0.013 0.000 0.996 187 S CB -0.533 62.675 63.200 0.012 0.000 0.882 187 S HN 0.581 nan 8.310 nan 0.000 0.445 188 E N 1.659 121.866 120.200 0.012 0.000 2.085 188 E HA -0.083 4.267 4.350 -0.000 0.000 0.194 188 E C 1.985 178.591 176.600 0.010 0.000 0.994 188 E CA 0.813 57.219 56.400 0.010 0.000 0.801 188 E CB -0.508 29.198 29.700 0.010 0.000 0.743 188 E HN 0.388 nan 8.360 nan 0.000 0.453 189 L N -0.095 121.136 121.223 0.012 0.000 2.131 189 L HA -0.156 4.184 4.340 -0.000 0.000 0.210 189 L C 2.216 179.093 176.870 0.011 0.000 1.092 189 L CA 1.062 55.910 54.840 0.012 0.000 0.759 189 L CB -0.389 41.679 42.059 0.015 0.000 0.903 189 L HN 0.163 nan 8.230 nan 0.000 0.435 190 A N -0.836 121.991 122.820 0.011 0.000 2.119 190 A HA -0.137 4.183 4.320 -0.000 0.000 0.216 190 A C 1.131 178.721 177.584 0.009 0.000 1.152 190 A CA 0.368 52.411 52.037 0.010 0.000 0.708 190 A CB -0.598 18.409 19.000 0.011 0.000 0.805 190 A HN 0.504 nan 8.150 nan 0.000 0.460 191 N N 0.333 119.038 118.700 0.008 0.000 2.469 191 N HA 0.244 4.983 4.740 -0.000 0.000 0.239 191 N C -2.142 173.372 175.510 0.007 0.000 1.053 191 N CA -1.717 51.337 53.050 0.007 0.000 0.937 191 N CB 1.122 39.613 38.487 0.007 0.000 1.163 191 N HN -0.075 nan 8.380 nan 0.000 0.509 192 P HA -0.118 nan 4.420 nan 0.000 0.219 192 P C 0.380 177.683 177.300 0.005 0.000 1.146 192 P CA 0.857 63.960 63.100 0.006 0.000 0.808 192 P CB 0.254 31.957 31.700 0.005 0.000 0.779 193 A N -0.883 121.940 122.820 0.005 0.000 2.307 193 A HA 0.174 4.494 4.320 -0.000 0.000 0.218 193 A C 0.952 178.539 177.584 0.004 0.000 1.228 193 A CA -0.017 52.022 52.037 0.004 0.000 0.857 193 A CB -0.933 18.069 19.000 0.004 0.000 0.897 193 A HN 0.271 nan 8.150 nan 0.000 0.495 194 S N -0.143 115.560 115.700 0.005 0.000 2.579 194 S HA 0.320 4.790 4.470 -0.000 0.000 0.275 194 S C 0.428 175.030 174.600 0.004 0.000 1.345 194 S CA 0.160 58.363 58.200 0.005 0.000 1.031 194 S CB 0.888 64.091 63.200 0.006 0.000 0.892 194 S HN 0.452 nan 8.310 nan 0.000 0.529 195 S N 1.013 116.715 115.700 0.003 0.000 2.505 195 S HA 0.171 4.641 4.470 -0.000 0.000 0.276 195 S C 0.912 175.514 174.600 0.002 0.000 1.274 195 S CA -0.814 57.387 58.200 0.002 0.000 1.053 195 S CB -0.127 63.074 63.200 0.001 0.000 0.919 195 S HN 0.701 nan 8.310 nan 0.000 0.490 196 I N 5.759 126.330 120.570 0.002 0.000 2.394 196 I HA -0.021 4.149 4.170 -0.000 0.000 0.251 196 I C 1.568 177.685 176.117 -0.000 0.000 1.136 196 I CA 1.310 62.611 61.300 0.002 0.000 1.425 196 I CB -0.312 37.689 38.000 0.002 0.000 1.079 196 I HN 0.698 nan 8.210 nan 0.000 0.425 197 L N 0.163 121.385 121.223 -0.001 0.000 2.217 197 L HA -0.146 4.194 4.340 -0.000 0.000 0.211 197 L C 1.979 178.847 176.870 -0.003 0.000 1.107 197 L CA 1.505 56.343 54.840 -0.003 0.000 0.783 197 L CB -1.108 40.950 42.059 -0.003 0.000 0.919 197 L HN 0.228 nan 8.230 nan 0.000 0.442 198 D N -0.690 119.709 120.400 -0.002 0.000 2.123 198 D HA -0.100 4.540 4.640 -0.000 0.000 0.200 198 D C 2.393 178.692 176.300 -0.001 0.000 0.976 198 D CA 1.111 55.110 54.000 -0.001 0.000 0.831 198 D CB 0.018 40.819 40.800 0.001 0.000 0.974 198 D HN 0.254 nan 8.370 nan 0.000 0.469 199 I N 0.765 121.335 120.570 0.000 0.000 2.226 199 I HA -0.265 3.905 4.170 -0.000 0.000 0.245 199 I C 2.085 178.200 176.117 -0.003 0.000 1.100 199 I CA 1.250 62.550 61.300 0.001 0.000 1.374 199 I CB -0.160 37.843 38.000 0.004 0.000 1.057 199 I HN -0.055 nan 8.210 nan 0.000 0.413 200 D N 1.052 121.448 120.400 -0.005 0.000 2.097 200 D HA -0.261 4.379 4.640 -0.000 0.000 0.195 200 D C 2.226 178.516 176.300 -0.018 0.000 0.989 200 D CA 1.478 55.472 54.000 -0.011 0.000 0.827 200 D CB -0.017 40.777 40.800 -0.010 0.000 0.966 200 D HN 0.097 nan 8.370 nan 0.000 0.456 201 K N 0.235 120.626 120.400 -0.014 0.000 2.032 201 K HA -0.213 4.107 4.320 -0.000 0.000 0.209 201 K C 2.023 178.610 176.600 -0.021 0.000 1.048 201 K CA 1.314 57.591 56.287 -0.018 0.000 0.927 201 K CB 0.026 32.519 32.500 -0.012 0.000 0.712 201 K HN 0.058 nan 8.250 nan 0.000 0.441 202 K N 0.124 120.515 120.400 -0.014 0.000 2.057 202 K HA -0.098 4.222 4.320 -0.000 0.000 0.207 202 K C 2.031 178.618 176.600 -0.022 0.000 1.049 202 K CA 1.381 57.661 56.287 -0.012 0.000 0.931 202 K CB -0.030 32.469 32.500 -0.001 0.000 0.714 202 K HN -0.008 nan 8.250 nan 0.000 0.440 203 V N 1.349 121.249 119.914 -0.025 0.000 2.343 203 V HA -0.257 3.863 4.120 -0.000 0.000 0.247 203 V C 2.332 178.371 176.094 -0.092 0.000 1.051 203 V CA 2.052 64.328 62.300 -0.040 0.000 1.036 203 V CB -0.644 31.164 31.823 -0.025 0.000 0.654 203 V HN 0.365 nan 8.190 nan 0.000 0.451 204 A N -0.279 122.493 122.820 -0.079 0.000 1.902 204 A HA -0.238 4.082 4.320 -0.000 0.000 0.217 204 A C 2.164 179.677 177.584 -0.118 0.000 1.181 204 A CA 1.860 53.836 52.037 -0.102 0.000 0.623 204 A CB -0.456 18.504 19.000 -0.066 0.000 0.818 204 A HN 0.633 nan 8.150 nan 0.000 0.443 205 E N -0.819 119.333 120.200 -0.081 0.000 2.077 205 E HA -0.129 4.221 4.350 -0.000 0.000 0.193 205 E C 2.068 178.616 176.600 -0.087 0.000 0.989 205 E CA 1.555 57.915 56.400 -0.067 0.000 0.800 205 E CB -0.364 29.315 29.700 -0.034 0.000 0.746 205 E HN 0.588 nan 8.360 nan 0.000 0.452 206 T N 1.251 115.749 114.554 -0.094 0.000 2.708 206 T HA -0.162 4.188 4.350 -0.000 0.000 0.266 206 T C 1.911 176.420 174.700 -0.318 0.000 1.037 206 T CA 1.268 63.319 62.100 -0.081 0.000 1.146 206 T CB -0.154 68.709 68.868 -0.007 0.000 0.865 206 T HN 0.121 nan 8.240 nan 0.000 0.435 207 M N 0.363 119.598 119.600 -0.609 0.000 2.213 207 M HA -0.041 4.439 4.480 -0.000 0.000 0.263 207 M C 2.255 178.182 176.300 -0.622 0.000 1.062 207 M CA 1.517 56.101 55.300 -1.193 0.000 1.105 207 M CB -0.232 31.920 32.600 -0.747 0.000 1.385 207 M HN 0.053 nan 8.290 nan 0.000 0.417 208 R N -0.042 120.284 120.500 -0.291 0.000 2.297 208 R HA 0.066 4.406 4.340 -0.000 0.000 0.197 208 R C 0.796 177.069 176.300 -0.046 0.000 0.943 208 R CA 0.136 56.158 56.100 -0.129 0.000 1.038 208 R CB -0.016 30.230 30.300 -0.091 0.000 0.957 208 R HN 0.345 nan 8.270 nan 0.000 0.484 209 S N -0.880 114.805 115.700 -0.025 0.000 2.585 209 S HA 0.157 4.627 4.470 -0.000 0.000 0.273 209 S C 1.392 176.049 174.600 0.094 0.000 1.339 209 S CA -0.406 57.818 58.200 0.041 0.000 1.028 209 S CB 1.701 64.936 63.200 0.059 0.000 0.906 209 S HN 0.217 nan 8.310 nan 0.000 0.528 210 G N 0.790 109.634 108.800 0.074 0.000 2.471 210 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.219 210 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.219 210 G C 1.461 176.420 174.900 0.098 0.000 1.125 210 G CA 0.667 45.814 45.100 0.078 0.000 0.775 210 G HN 1.016 nan 8.290 nan 0.000 0.548 211 S N -0.578 115.187 115.700 0.107 0.000 2.489 211 S HA 0.172 4.641 4.470 -0.000 0.000 0.228 211 S C 0.820 175.503 174.600 0.139 0.000 0.995 211 S CA -0.584 57.676 58.200 0.100 0.000 0.934 211 S CB -0.332 62.918 63.200 0.084 0.000 0.771 211 S HN 0.177 nan 8.310 nan 0.000 0.522 212 F N 5.220 125.184 119.950 0.023 0.000 2.578 212 F HA 0.235 4.762 4.527 -0.000 0.000 0.381 212 F C -1.982 173.841 175.800 0.037 0.000 1.069 212 F CA -2.275 55.743 58.000 0.030 0.000 1.231 212 F CB 0.589 39.607 39.000 0.029 0.000 1.086 212 F HN 0.074 nan 8.300 nan 0.000 0.564 213 P HA 0.010 nan 4.420 nan 0.000 0.267 213 P C -0.206 177.029 177.300 -0.110 0.000 1.328 213 P CA 0.049 63.036 63.100 -0.188 0.000 0.990 213 P CB 0.138 31.705 31.700 -0.223 0.000 1.168 214 T N -1.895 112.678 114.554 0.032 0.000 3.288 214 T HA 0.128 4.478 4.350 -0.000 0.000 0.293 214 T C 0.787 175.536 174.700 0.081 0.000 1.008 214 T CA -0.326 61.844 62.100 0.117 0.000 0.929 214 T CB -0.284 68.702 68.868 0.197 0.000 1.152 214 T HN -0.023 nan 8.240 nan 0.000 0.517 215 D N 2.451 122.867 120.400 0.027 0.000 2.116 215 D HA -0.126 4.514 4.640 -0.000 0.000 0.193 215 D C 1.841 178.125 176.300 -0.027 0.000 0.998 215 D CA 1.150 55.151 54.000 0.001 0.000 0.836 215 D CB 0.021 40.810 40.800 -0.019 0.000 0.951 215 D HN 0.438 nan 8.370 nan 0.000 0.449 216 N N -0.455 118.199 118.700 -0.077 0.000 2.207 216 N HA -0.044 4.696 4.740 -0.000 0.000 0.182 216 N C 1.752 177.096 175.510 -0.277 0.000 1.020 216 N CA 0.524 53.444 53.050 -0.217 0.000 0.858 216 N CB -0.243 38.029 38.487 -0.359 0.000 0.991 216 N HN 0.233 nan 8.380 nan 0.000 0.427 217 F N 0.088 120.058 119.950 0.033 0.000 2.698 217 F HA 0.218 4.745 4.527 -0.000 0.000 0.295 217 F C 2.001 177.826 175.800 0.043 0.000 1.124 217 F CA 0.391 58.418 58.000 0.046 0.000 1.426 217 F CB 0.260 39.295 39.000 0.060 0.000 1.120 217 F HN 0.112 nan 8.300 nan 0.000 0.583 218 G N 0.466 109.377 108.800 0.185 0.000 2.320 218 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.242 218 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.242 218 G C 0.207 175.189 174.900 0.137 0.000 1.033 218 G CA 0.347 45.521 45.100 0.123 0.000 0.620 218 G HN 0.583 nan 8.290 nan 0.000 0.517 219 V N -3.712 116.314 119.914 0.186 0.000 3.182 219 V HA 0.891 5.011 4.120 -0.000 0.000 0.308 219 V C -2.761 173.452 176.094 0.199 0.000 1.240 219 V CA -2.414 59.979 62.300 0.155 0.000 1.063 219 V CB 1.533 33.414 31.823 0.097 0.000 1.076 219 V HN 0.067 nan 8.190 nan 0.000 0.446 220 P HA 0.325 nan 4.420 nan 0.000 0.269 220 P C -0.103 177.245 177.300 0.079 0.000 1.215 220 P CA 0.080 63.327 63.100 0.245 0.000 0.780 220 P CB 0.966 32.730 31.700 0.107 0.000 0.898 221 L N 3.013 124.259 121.223 0.039 0.000 2.638 221 L HA 0.463 4.803 4.340 -0.000 0.000 0.195 221 L C 0.525 177.369 176.870 -0.043 0.000 1.065 221 L CA 0.664 55.403 54.840 -0.170 0.000 0.859 221 L CB -0.912 40.814 42.059 -0.555 0.000 1.269 221 L HN 0.287 nan 8.230 nan 0.000 0.484 222 A N -0.004 122.852 122.820 0.059 0.000 2.520 222 A HA 0.439 4.759 4.320 -0.000 0.000 0.245 222 A C 1.360 178.998 177.584 0.090 0.000 1.072 222 A CA 0.514 52.607 52.037 0.093 0.000 0.761 222 A CB -1.006 18.090 19.000 0.161 0.000 1.004 222 A HN 1.312 nan 8.150 nan 0.000 0.499 223 G N 0.785 109.613 108.800 0.047 0.000 2.184 223 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.264 223 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.264 223 G C 0.475 175.373 174.900 -0.002 0.000 0.975 223 G CA 1.050 46.162 45.100 0.020 0.000 0.642 223 G HN 1.776 nan 8.290 nan 0.000 0.536 224 S N -1.707 113.990 115.700 -0.004 0.000 3.341 224 S HA 0.927 5.397 4.470 -0.000 0.000 0.326 224 S C -1.428 173.155 174.600 -0.028 0.000 1.178 224 S CA 0.458 58.647 58.200 -0.018 0.000 1.002 224 S CB 1.023 64.210 63.200 -0.022 0.000 1.385 224 S HN 1.778 nan 8.310 nan 0.000 0.710 225 L N -0.560 120.641 121.223 -0.037 0.000 2.940 225 L HA 0.723 5.063 4.340 -0.000 0.000 0.270 225 L C -1.769 175.080 176.870 -0.036 0.000 1.030 225 L CA -0.678 54.131 54.840 -0.052 0.000 0.928 225 L CB 0.907 42.939 42.059 -0.046 0.000 1.506 225 L HN 0.595 nan 8.230 nan 0.000 0.405 226 I N 1.333 121.885 120.570 -0.030 0.000 2.476 226 I HA 0.399 4.569 4.170 -0.000 0.000 0.281 226 I C -2.178 173.972 176.117 0.055 0.000 1.040 226 I CA -1.102 60.216 61.300 0.029 0.000 1.094 226 I CB 2.464 40.494 38.000 0.051 0.000 1.219 226 I HN 0.535 nan 8.210 nan 0.000 0.450 227 P HA 0.023 nan 4.420 nan 0.000 0.237 227 P C -0.910 176.481 177.300 0.152 0.000 1.723 227 P CA 0.286 63.420 63.100 0.057 0.000 0.882 227 P CB -0.201 31.520 31.700 0.035 0.000 1.810 228 W N 1.529 122.827 121.300 -0.003 0.000 4.000 228 W HA 0.365 5.025 4.660 -0.000 0.000 0.302 228 W C -2.235 174.304 176.519 0.034 0.000 1.206 228 W CA -0.649 56.705 57.345 0.015 0.000 1.286 228 W CB 1.060 30.531 29.460 0.019 0.000 1.234 228 W HN -0.211 nan 8.180 nan 0.000 0.477 229 I N 6.599 127.308 120.570 0.232 0.000 2.466 229 I HA 0.236 4.406 4.170 -0.000 0.000 0.289 229 I C 0.215 176.492 176.117 0.267 0.000 1.026 229 I CA -0.293 61.151 61.300 0.240 0.000 1.078 229 I CB 1.840 39.905 38.000 0.108 0.000 1.249 229 I HN 0.335 nan 8.210 nan 0.000 0.429 230 D N 2.684 123.261 120.400 0.295 0.000 9.948 230 D HA -0.162 4.478 4.640 -0.000 0.000 0.354 230 D C -0.470 176.037 176.300 0.344 0.000 2.964 230 D CA 0.616 54.764 54.000 0.247 0.000 2.324 230 D CB 0.401 41.311 40.800 0.183 0.000 1.175 230 D HN 0.387 nan 8.370 nan 0.000 1.063 231 V N -0.835 119.216 119.914 0.228 0.000 2.999 231 V HA 0.246 4.366 4.120 -0.000 0.000 0.307 231 V C 0.835 177.118 176.094 0.315 0.000 1.084 231 V CA 0.441 62.868 62.300 0.211 0.000 1.155 231 V CB 0.803 32.682 31.823 0.094 0.000 0.975 231 V HN 0.627 nan 8.190 nan 0.000 0.490 232 K N 3.151 123.739 120.400 0.314 0.000 2.237 232 K HA 0.377 4.697 4.320 -0.000 0.000 0.270 232 K C -0.104 176.579 176.600 0.139 0.000 1.015 232 K CA -0.633 55.888 56.287 0.390 0.000 0.949 232 K CB 0.569 33.291 32.500 0.370 0.000 0.976 232 K HN 0.861 nan 8.250 nan 0.000 0.472 233 R N 2.427 122.977 120.500 0.083 0.000 2.856 233 R HA 0.136 4.476 4.340 -0.000 0.000 0.258 233 R C 0.267 176.559 176.300 -0.012 0.000 1.066 233 R CA -0.806 55.266 56.100 -0.047 0.000 1.045 233 R CB 0.706 30.912 30.300 -0.157 0.000 1.178 233 R HN 0.724 nan 8.270 nan 0.000 0.499 234 D N 1.105 121.476 120.400 -0.049 0.000 2.182 234 D HA -0.152 4.488 4.640 -0.000 0.000 0.201 234 D C 1.246 177.543 176.300 -0.004 0.000 0.986 234 D CA 1.433 55.420 54.000 -0.021 0.000 0.847 234 D CB -0.055 40.723 40.800 -0.036 0.000 0.942 234 D HN 0.515 nan 8.370 nan 0.000 0.467 235 N N -0.428 118.265 118.700 -0.012 0.000 2.461 235 N HA 0.037 4.777 4.740 -0.000 0.000 0.188 235 N C 1.341 176.856 175.510 0.009 0.000 1.134 235 N CA 1.003 54.054 53.050 0.001 0.000 0.878 235 N CB 0.350 38.840 38.487 0.004 0.000 0.972 235 N HN 0.203 nan 8.380 nan 0.000 0.456 236 G N -0.801 108.015 108.800 0.026 0.000 2.213 236 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.226 236 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.226 236 G C -0.153 174.718 174.900 -0.049 0.000 0.992 236 G CA 0.018 45.140 45.100 0.038 0.000 0.632 236 G HN 0.479 nan 8.290 nan 0.000 0.511 237 Q N 0.843 120.607 119.800 -0.060 0.000 2.382 237 Q HA 0.553 4.893 4.340 -0.000 0.000 0.229 237 Q C 0.819 176.718 176.000 -0.169 0.000 1.006 237 Q CA 0.358 56.082 55.803 -0.131 0.000 0.916 237 Q CB 1.029 29.761 28.738 -0.010 0.000 1.235 237 Q HN 0.633 nan 8.270 nan 0.000 0.512 238 S N -0.429 115.089 115.700 -0.302 0.000 2.687 238 S HA 0.224 4.694 4.470 -0.000 0.000 0.283 238 S C 0.634 175.243 174.600 0.014 0.000 1.170 238 S CA -0.837 57.236 58.200 -0.213 0.000 1.008 238 S CB 1.637 64.495 63.200 -0.570 0.000 1.026 238 S HN 0.717 nan 8.310 nan 0.000 0.541 239 K N 0.239 120.708 120.400 0.114 0.000 2.147 239 K HA -0.166 4.154 4.320 -0.000 0.000 0.205 239 K C 1.907 178.660 176.600 0.255 0.000 1.049 239 K CA 1.626 58.033 56.287 0.201 0.000 0.936 239 K CB -0.248 32.354 32.500 0.171 0.000 0.722 239 K HN 0.756 nan 8.250 nan 0.000 0.446 240 E N 1.155 121.435 120.200 0.134 0.000 2.077 240 E HA -0.196 4.154 4.350 -0.000 0.000 0.193 240 E C 1.417 178.051 176.600 0.057 0.000 0.989 240 E CA 1.807 58.261 56.400 0.089 0.000 0.800 240 E CB 0.087 29.811 29.700 0.041 0.000 0.746 240 E HN 0.372 nan 8.360 nan 0.000 0.452 241 E N -1.027 119.186 120.200 0.022 0.000 2.150 241 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 241 E C 1.612 178.257 176.600 0.075 0.000 0.985 241 E CA 0.981 57.382 56.400 0.002 0.000 0.814 241 E CB -0.330 29.328 29.700 -0.070 0.000 0.752 241 E HN 0.452 nan 8.360 nan 0.000 0.466 242 W N 2.193 123.460 121.300 -0.055 0.000 2.418 242 W HA -0.075 4.585 4.660 -0.000 0.000 0.292 242 W C 1.562 178.068 176.519 -0.021 0.000 1.213 242 W CA 1.083 58.408 57.345 -0.033 0.000 1.283 242 W CB 0.140 29.587 29.460 -0.022 0.000 1.119 242 W HN -0.191 nan 8.180 nan 0.000 0.542 243 K N 0.361 120.691 120.400 -0.117 0.000 2.063 243 K HA -0.198 4.122 4.320 -0.000 0.000 0.208 243 K C 2.323 178.720 176.600 -0.339 0.000 1.048 243 K CA 1.674 57.734 56.287 -0.379 0.000 0.928 243 K CB -0.720 31.732 32.500 -0.081 0.000 0.713 243 K HN 0.210 nan 8.250 nan 0.000 0.442 244 A N 1.380 124.087 122.820 -0.188 0.000 1.884 244 A HA -0.206 4.114 4.320 -0.000 0.000 0.219 244 A C 2.445 179.908 177.584 -0.201 0.000 1.197 244 A CA 2.333 54.276 52.037 -0.156 0.000 0.637 244 A CB -1.511 17.437 19.000 -0.087 0.000 0.827 244 A HN 0.468 nan 8.150 nan 0.000 0.450 245 G N -0.620 108.051 108.800 -0.215 0.000 2.433 245 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.216 245 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.216 245 G C 1.639 176.386 174.900 -0.255 0.000 1.186 245 G CA 2.259 47.243 45.100 -0.194 0.000 0.779 245 G HN 1.093 nan 8.290 nan 0.000 0.543 246 V N -1.427 118.228 119.914 -0.433 0.000 2.453 246 V HA 0.003 4.123 4.120 -0.000 0.000 0.247 246 V C 2.249 178.163 176.094 -0.299 0.000 1.048 246 V CA 2.243 64.304 62.300 -0.398 0.000 1.049 246 V CB -0.630 30.809 31.823 -0.639 0.000 0.672 246 V HN 0.424 nan 8.190 nan 0.000 0.457 247 E N 1.259 121.269 120.200 -0.317 0.000 2.072 247 E HA 0.009 4.359 4.350 -0.000 0.000 0.190 247 E C 2.436 178.931 176.600 -0.175 0.000 0.982 247 E CA 1.173 57.444 56.400 -0.214 0.000 0.803 247 E CB -0.376 29.209 29.700 -0.192 0.000 0.755 247 E HN 0.673 nan 8.360 nan 0.000 0.453 248 A N 1.986 124.686 122.820 -0.199 0.000 1.908 248 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 248 A C 1.900 179.373 177.584 -0.185 0.000 1.181 248 A CA 1.429 53.332 52.037 -0.223 0.000 0.627 248 A CB -0.487 18.335 19.000 -0.297 0.000 0.818 248 A HN 0.150 nan 8.150 nan 0.000 0.445 249 N N -0.509 118.101 118.700 -0.150 0.000 2.309 249 N HA -0.132 4.608 4.740 -0.000 0.000 0.182 249 N C 1.725 177.186 175.510 -0.082 0.000 1.018 249 N CA 1.449 54.440 53.050 -0.098 0.000 0.876 249 N CB -0.182 38.260 38.487 -0.076 0.000 0.972 249 N HN 0.701 nan 8.380 nan 0.000 0.434 250 K N 1.228 121.572 120.400 -0.094 0.000 2.062 250 K HA 0.049 4.368 4.320 -0.000 0.000 0.205 250 K C 2.068 178.632 176.600 -0.059 0.000 1.051 250 K CA 0.537 56.782 56.287 -0.070 0.000 0.941 250 K CB 0.014 32.470 32.500 -0.074 0.000 0.719 250 K HN 0.003 nan 8.250 nan 0.000 0.440 251 I N 1.313 121.840 120.570 -0.072 0.000 2.208 251 I HA -0.293 3.877 4.170 -0.000 0.000 0.245 251 I C 1.981 178.069 176.117 -0.049 0.000 1.097 251 I CA 1.248 62.514 61.300 -0.057 0.000 1.363 251 I CB -0.131 37.821 38.000 -0.080 0.000 1.051 251 I HN 0.202 nan 8.210 nan 0.000 0.413 252 L N 0.307 121.490 121.223 -0.066 0.000 2.478 252 L HA 0.104 4.444 4.340 -0.000 0.000 0.223 252 L C 1.434 178.288 176.870 -0.026 0.000 1.140 252 L CA 0.566 55.382 54.840 -0.041 0.000 0.842 252 L CB -0.579 41.452 42.059 -0.046 0.000 0.953 252 L HN 0.513 nan 8.230 nan 0.000 0.452 253 G N 0.867 109.646 108.800 -0.035 0.000 2.225 253 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.264 253 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.264 253 G C 0.352 175.237 174.900 -0.025 0.000 1.060 253 G CA 0.020 45.100 45.100 -0.033 0.000 0.833 253 G HN 0.342 nan 8.290 nan 0.000 0.498 254 L N -0.674 120.535 121.223 -0.023 0.000 2.928 254 L HA 0.236 4.576 4.340 -0.000 0.000 0.246 254 L C 2.150 179.012 176.870 -0.013 0.000 1.239 254 L CA -0.235 54.598 54.840 -0.011 0.000 1.035 254 L CB 0.343 42.405 42.059 0.004 0.000 1.360 254 L HN 0.179 nan 8.230 nan 0.000 0.529 255 Q N 0.234 120.022 119.800 -0.020 0.000 2.181 255 Q HA -0.204 4.136 4.340 -0.000 0.000 0.205 255 Q C 1.455 177.451 176.000 -0.006 0.000 0.980 255 Q CA 1.637 57.431 55.803 -0.016 0.000 0.862 255 Q CB 0.019 28.746 28.738 -0.017 0.000 0.905 255 Q HN 0.398 nan 8.270 nan 0.000 0.429 256 D N -0.566 119.831 120.400 -0.005 0.000 2.224 256 D HA -0.037 4.603 4.640 -0.000 0.000 0.205 256 D C 0.174 176.476 176.300 0.004 0.000 0.965 256 D CA 1.134 55.134 54.000 -0.001 0.000 0.852 256 D CB 0.137 40.935 40.800 -0.004 0.000 0.947 256 D HN 0.250 nan 8.370 nan 0.000 0.494 257 S N 0.134 115.837 115.700 0.006 0.000 2.440 257 S HA 0.291 4.761 4.470 -0.000 0.000 0.142 257 S C -2.803 171.808 174.600 0.018 0.000 1.578 257 S CA -1.170 57.037 58.200 0.012 0.000 1.260 257 S CB 1.687 64.893 63.200 0.011 0.000 1.407 257 S HN -0.154 nan 8.310 nan 0.000 0.392 258 P HA 0.233 nan 4.420 nan 0.000 0.272 258 P C -0.259 177.067 177.300 0.044 0.000 1.223 258 P CA -0.244 62.868 63.100 0.020 0.000 0.784 258 P CB 0.878 32.581 31.700 0.004 0.000 0.923 259 V N 4.400 124.355 119.914 0.067 0.000 2.461 259 V HA 0.180 4.300 4.120 -0.000 0.000 0.275 259 V C -1.970 174.190 176.094 0.110 0.000 1.047 259 V CA -1.575 60.793 62.300 0.114 0.000 0.955 259 V CB 0.532 32.476 31.823 0.202 0.000 0.988 259 V HN 0.539 nan 8.190 nan 0.000 0.471 260 P HA 0.370 nan 4.420 nan 0.000 0.276 260 P C -0.702 176.685 177.300 0.145 0.000 1.253 260 P CA 0.214 63.377 63.100 0.106 0.000 0.766 260 P CB 0.340 32.094 31.700 0.090 0.000 0.845 261 I N 3.226 123.847 120.570 0.084 0.000 2.466 261 I HA 0.497 4.667 4.170 -0.000 0.000 0.289 261 I C -0.230 175.910 176.117 0.039 0.000 1.026 261 I CA -0.316 61.037 61.300 0.089 0.000 1.078 261 I CB 2.254 40.282 38.000 0.046 0.000 1.249 261 I HN 0.255 nan 8.210 nan 0.000 0.429 262 D N 2.922 123.350 120.400 0.046 0.000 2.692 262 D HA 0.817 5.457 4.640 -0.000 0.000 0.290 262 D C -0.620 175.688 176.300 0.013 0.000 1.281 262 D CA 0.133 54.139 54.000 0.010 0.000 0.804 262 D CB 2.536 43.327 40.800 -0.016 0.000 1.331 262 D HN 0.796 nan 8.370 nan 0.000 0.432 263 G N -0.711 108.079 108.800 -0.017 0.000 2.352 263 G HA2 0.362 4.322 3.960 -0.000 0.000 0.283 263 G HA3 0.362 4.322 3.960 -0.000 0.000 0.283 263 G C -1.567 173.296 174.900 -0.062 0.000 1.308 263 G CA -0.377 44.711 45.100 -0.020 0.000 0.892 263 G HN 0.455 nan 8.290 nan 0.000 0.504 264 T N 0.075 114.588 114.554 -0.068 0.000 2.792 264 T HA 0.527 4.877 4.350 -0.000 0.000 0.280 264 T C -0.418 174.213 174.700 -0.115 0.000 0.990 264 T CA -0.146 61.886 62.100 -0.114 0.000 0.960 264 T CB 1.088 69.891 68.868 -0.108 0.000 0.939 264 T HN 0.729 nan 8.240 nan 0.000 0.439 265 C N 4.138 123.355 119.300 -0.137 0.000 2.265 265 C HA 0.650 5.110 4.460 -0.000 0.000 0.332 265 C C 0.372 175.291 174.990 -0.119 0.000 1.248 265 C CA -0.800 58.147 59.018 -0.120 0.000 1.727 265 C CB -0.725 26.955 27.740 -0.100 0.000 2.348 265 C HN 0.656 nan 8.230 nan 0.000 0.519 266 V N 4.330 124.162 119.914 -0.136 0.000 2.495 266 V HA 0.506 4.626 4.120 -0.000 0.000 0.298 266 V C 0.025 176.059 176.094 -0.100 0.000 1.031 266 V CA -0.685 61.541 62.300 -0.123 0.000 0.871 266 V CB 1.732 33.434 31.823 -0.202 0.000 0.988 266 V HN 0.765 nan 8.190 nan 0.000 0.432 267 R N 4.494 124.965 120.500 -0.049 0.000 2.265 267 R HA 0.686 5.026 4.340 -0.000 0.000 0.314 267 R C -0.553 175.707 176.300 -0.067 0.000 1.053 267 R CA -0.111 55.966 56.100 -0.038 0.000 0.931 267 R CB 0.571 30.870 30.300 -0.002 0.000 1.024 267 R HN 0.806 nan 8.270 nan 0.000 0.457 268 I N -0.320 120.231 120.570 -0.032 0.000 3.206 268 I HA 0.667 4.837 4.170 -0.000 0.000 0.313 268 I C 0.487 176.594 176.117 -0.016 0.000 1.103 268 I CA -1.360 59.932 61.300 -0.013 0.000 0.985 268 I CB 2.322 40.368 38.000 0.076 0.000 1.240 268 I HN 0.609 nan 8.210 nan 0.000 0.464 269 G N 1.813 110.612 108.800 -0.001 0.000 3.455 269 G HA2 0.539 4.499 3.960 -0.000 0.000 0.250 269 G HA3 0.539 4.499 3.960 -0.000 0.000 0.250 269 G C 0.056 174.990 174.900 0.056 0.000 1.071 269 G CA 0.084 45.188 45.100 0.007 0.000 1.812 269 G HN 0.877 nan 8.290 nan 0.000 0.643 270 A N 0.341 123.211 122.820 0.083 0.000 2.306 270 A HA 0.738 5.058 4.320 -0.000 0.000 0.330 270 A C 0.987 178.638 177.584 0.110 0.000 1.146 270 A CA -0.668 51.433 52.037 0.106 0.000 0.827 270 A CB 1.241 20.325 19.000 0.140 0.000 1.178 270 A HN 0.205 nan 8.150 nan 0.000 0.490 271 M N 0.446 120.104 119.600 0.097 0.000 2.073 271 M HA 0.031 4.511 4.480 -0.000 0.000 0.259 271 M C 1.771 178.128 176.300 0.094 0.000 1.079 271 M CA 2.174 57.529 55.300 0.091 0.000 1.131 271 M CB -0.328 32.314 32.600 0.069 0.000 1.316 271 M HN 0.840 nan 8.290 nan 0.000 0.415 272 R N -2.550 117.997 120.500 0.078 0.000 2.548 272 R HA 0.395 4.735 4.340 -0.000 0.000 0.449 272 R C -1.246 175.066 176.300 0.019 0.000 0.928 272 R CA -0.336 55.791 56.100 0.046 0.000 1.107 272 R CB -0.661 29.650 30.300 0.019 0.000 1.557 272 R HN 0.245 nan 8.270 nan 0.000 0.584 273 C N 1.734 121.082 119.300 0.079 0.000 2.455 273 C HA 0.564 5.024 4.460 -0.000 0.000 0.320 273 C C -0.732 174.390 174.990 0.220 0.000 1.226 273 C CA -0.683 58.385 59.018 0.083 0.000 1.569 273 C CB 0.986 28.779 27.740 0.089 0.000 2.200 273 C HN 0.441 nan 8.230 nan 0.000 0.491 274 H N 1.002 120.104 119.070 0.053 0.000 2.473 274 H HA 0.589 5.145 4.556 -0.000 0.000 0.327 274 H C -0.108 175.221 175.328 0.003 0.000 1.105 274 H CA 0.076 56.154 56.048 0.050 0.000 1.280 274 H CB 1.459 31.245 29.762 0.040 0.000 1.450 274 H HN 0.611 nan 8.280 nan 0.000 0.492 275 S N 2.553 118.311 115.700 0.095 0.000 2.536 275 S HA 0.533 5.003 4.470 -0.000 0.000 0.298 275 S C -0.616 173.864 174.600 -0.200 0.000 1.083 275 S CA -0.958 57.142 58.200 -0.167 0.000 0.995 275 S CB 1.940 65.028 63.200 -0.186 0.000 1.058 275 S HN 0.510 nan 8.310 nan 0.000 0.488 276 Q N 0.815 120.315 119.800 -0.499 0.000 2.305 276 Q HA 0.639 4.979 4.340 -0.000 0.000 0.271 276 Q C -1.359 174.405 176.000 -0.393 0.000 1.046 276 Q CA -0.785 54.867 55.803 -0.251 0.000 0.798 276 Q CB 2.279 30.945 28.738 -0.121 0.000 1.286 276 Q HN 0.730 nan 8.270 nan 0.000 0.435 277 A N 3.972 126.808 122.820 0.027 0.000 2.280 277 A HA 0.616 4.936 4.320 -0.000 0.000 0.320 277 A C -0.671 177.012 177.584 0.165 0.000 1.366 277 A CA -0.456 51.717 52.037 0.227 0.000 0.938 277 A CB 0.074 19.376 19.000 0.503 0.000 1.157 277 A HN 0.664 nan 8.150 nan 0.000 0.536 278 L N 1.909 123.204 121.223 0.120 0.000 2.317 278 L HA 0.545 4.885 4.340 -0.000 0.000 0.281 278 L C 0.026 176.973 176.870 0.130 0.000 1.024 278 L CA -0.472 54.435 54.840 0.113 0.000 0.810 278 L CB 2.088 44.187 42.059 0.068 0.000 1.240 278 L HN 0.511 nan 8.230 nan 0.000 0.427 279 T N 3.976 118.630 114.554 0.166 0.000 2.821 279 T HA 0.559 4.909 4.350 -0.000 0.000 0.307 279 T C -0.106 174.640 174.700 0.075 0.000 1.034 279 T CA -0.171 62.044 62.100 0.192 0.000 0.953 279 T CB 0.248 69.322 68.868 0.343 0.000 0.968 279 T HN 0.276 nan 8.240 nan 0.000 0.462 280 I N 3.302 123.821 120.570 -0.086 0.000 2.328 280 I HA 0.376 4.546 4.170 -0.000 0.000 0.287 280 I C 0.182 175.940 176.117 -0.598 0.000 1.012 280 I CA -0.998 60.127 61.300 -0.291 0.000 1.195 280 I CB 1.199 39.076 38.000 -0.206 0.000 1.350 280 I HN 0.218 nan 8.210 nan 0.000 0.464 281 K N 7.599 127.331 120.400 -1.114 0.000 2.285 281 K HA 0.476 4.796 4.320 -0.000 0.000 0.286 281 K C -0.975 175.113 176.600 -0.854 0.000 1.072 281 K CA -0.058 55.384 56.287 -1.409 0.000 0.913 281 K CB 0.413 31.442 32.500 -2.452 0.000 1.067 281 K HN 0.527 nan 8.250 nan 0.000 0.479 282 L N 4.884 125.737 121.223 -0.617 0.000 2.357 282 L HA 0.331 4.671 4.340 -0.000 0.000 0.273 282 L C 1.158 177.825 176.870 -0.337 0.000 1.080 282 L CA -0.543 54.054 54.840 -0.405 0.000 0.803 282 L CB 1.227 43.114 42.059 -0.287 0.000 1.174 282 L HN 0.679 nan 8.230 nan 0.000 0.443 283 K N 0.714 120.965 120.400 -0.249 0.000 2.366 283 K HA 0.026 4.346 4.320 -0.000 0.000 0.198 283 K C -0.080 176.440 176.600 -0.133 0.000 1.044 283 K CA 0.742 56.923 56.287 -0.176 0.000 0.973 283 K CB 0.211 32.631 32.500 -0.134 0.000 0.767 283 K HN 0.556 nan 8.250 nan 0.000 0.475 284 Q N -0.277 119.443 119.800 -0.135 0.000 2.456 284 Q HA 0.188 4.528 4.340 -0.000 0.000 0.284 284 Q C -1.149 174.795 176.000 -0.094 0.000 1.061 284 Q CA -0.909 54.837 55.803 -0.095 0.000 0.799 284 Q CB 1.358 30.050 28.738 -0.076 0.000 1.445 284 Q HN -0.134 nan 8.270 nan 0.000 0.411 285 N N 1.927 120.589 118.700 -0.063 0.000 2.663 285 N HA 0.218 4.958 4.740 -0.000 0.000 0.250 285 N C -1.314 174.169 175.510 -0.044 0.000 1.129 285 N CA 0.012 53.033 53.050 -0.049 0.000 0.995 285 N CB -0.132 38.339 38.487 -0.026 0.000 1.324 285 N HN 0.470 nan 8.380 nan 0.000 0.512 286 I N 3.788 124.325 120.570 -0.055 0.000 2.395 286 I HA 0.274 4.444 4.170 -0.000 0.000 0.289 286 I C -1.649 174.446 176.117 -0.037 0.000 1.023 286 I CA -1.998 59.273 61.300 -0.048 0.000 1.350 286 I CB 1.191 39.155 38.000 -0.060 0.000 1.409 286 I HN 0.274 nan 8.210 nan 0.000 0.507 287 P HA -0.065 nan 4.420 nan 0.000 0.265 287 P C 0.658 177.945 177.300 -0.022 0.000 1.193 287 P CA -0.268 62.819 63.100 -0.021 0.000 0.765 287 P CB 1.034 32.724 31.700 -0.017 0.000 0.823 288 L N 3.466 124.678 121.223 -0.018 0.000 2.051 288 L HA -0.233 4.107 4.340 -0.000 0.000 0.214 288 L C 1.677 178.538 176.870 -0.015 0.000 1.076 288 L CA 2.119 56.950 54.840 -0.016 0.000 0.758 288 L CB -1.189 40.865 42.059 -0.009 0.000 0.890 288 L HN 0.262 nan 8.230 nan 0.000 0.433 289 D N -0.735 119.658 120.400 -0.013 0.000 2.123 289 D HA -0.229 4.411 4.640 -0.000 0.000 0.196 289 D C 2.147 178.439 176.300 -0.014 0.000 0.992 289 D CA 1.419 55.411 54.000 -0.012 0.000 0.833 289 D CB -0.012 40.781 40.800 -0.010 0.000 0.954 289 D HN 0.449 nan 8.370 nan 0.000 0.455 290 E N 0.277 120.467 120.200 -0.018 0.000 2.150 290 E HA -0.055 4.295 4.350 -0.000 0.000 0.193 290 E C 2.102 178.688 176.600 -0.024 0.000 0.985 290 E CA 0.488 56.876 56.400 -0.020 0.000 0.814 290 E CB -0.260 29.426 29.700 -0.023 0.000 0.752 290 E HN 0.299 nan 8.360 nan 0.000 0.466 291 I N 0.566 121.119 120.570 -0.029 0.000 2.179 291 I HA -0.251 3.919 4.170 -0.000 0.000 0.242 291 I C 2.149 178.251 176.117 -0.025 0.000 1.088 291 I CA 1.440 62.718 61.300 -0.036 0.000 1.357 291 I CB -0.268 37.707 38.000 -0.043 0.000 1.051 291 I HN 0.178 nan 8.210 nan 0.000 0.409 292 E N 0.276 120.466 120.200 -0.017 0.000 2.110 292 E HA -0.281 4.069 4.350 -0.000 0.000 0.193 292 E C 1.980 178.576 176.600 -0.007 0.000 0.988 292 E CA 1.190 57.585 56.400 -0.009 0.000 0.804 292 E CB -0.023 29.673 29.700 -0.006 0.000 0.745 292 E HN 0.343 nan 8.360 nan 0.000 0.458 293 E N 0.893 121.088 120.200 -0.009 0.000 2.047 293 E HA -0.149 4.200 4.350 -0.000 0.000 0.191 293 E C 1.933 178.533 176.600 -0.000 0.000 0.987 293 E CA 1.286 57.682 56.400 -0.007 0.000 0.799 293 E CB -0.045 29.649 29.700 -0.010 0.000 0.752 293 E HN 0.180 nan 8.360 nan 0.000 0.449 294 M N -0.301 119.297 119.600 -0.004 0.000 2.108 294 M HA -0.140 4.340 4.480 -0.000 0.000 0.261 294 M C 2.230 178.544 176.300 0.024 0.000 1.066 294 M CA 1.383 56.686 55.300 0.006 0.000 1.107 294 M CB -0.329 32.263 32.600 -0.014 0.000 1.356 294 M HN 0.160 nan 8.290 nan 0.000 0.406 295 I N 0.053 120.627 120.570 0.006 0.000 2.133 295 I HA -0.242 3.928 4.170 -0.000 0.000 0.238 295 I C 2.756 178.897 176.117 0.039 0.000 1.074 295 I CA 1.291 62.598 61.300 0.012 0.000 1.342 295 I CB -0.589 37.407 38.000 -0.006 0.000 1.053 295 I HN 0.255 nan 8.210 nan 0.000 0.404 296 A N 0.657 123.490 122.820 0.022 0.000 1.940 296 A HA -0.230 4.090 4.320 -0.000 0.000 0.219 296 A C 2.281 179.874 177.584 0.014 0.000 1.176 296 A CA 2.416 54.463 52.037 0.016 0.000 0.631 296 A CB -1.210 17.790 19.000 0.001 0.000 0.814 296 A HN 0.554 nan 8.150 nan 0.000 0.446 297 T N -3.741 110.824 114.554 0.018 0.000 3.148 297 T HA -0.023 4.327 4.350 -0.000 0.000 0.253 297 T C 1.555 176.260 174.700 0.008 0.000 1.134 297 T CA 0.942 63.041 62.100 -0.001 0.000 1.051 297 T CB -0.504 68.359 68.868 -0.008 0.000 0.959 297 T HN 0.633 nan 8.240 nan 0.000 0.525 298 H N 3.060 122.114 119.070 -0.026 0.000 2.389 298 H HA 0.028 4.584 4.556 -0.000 0.000 0.299 298 H C 0.590 175.912 175.328 -0.011 0.000 1.081 298 H CA 1.653 57.692 56.048 -0.015 0.000 1.345 298 H CB 0.217 29.974 29.762 -0.009 0.000 1.393 298 H HN 0.710 nan 8.280 nan 0.000 0.520 299 N N -1.304 117.383 118.700 -0.021 0.000 2.825 299 N HA 0.021 4.761 4.740 -0.000 0.000 0.253 299 N C -0.520 174.896 175.510 -0.156 0.000 1.426 299 N CA -0.546 52.472 53.050 -0.054 0.000 0.851 299 N CB 0.601 39.200 38.487 0.186 0.000 1.470 299 N HN -0.305 nan 8.380 nan 0.000 0.517 300 D N -0.896 119.198 120.400 -0.511 0.000 2.348 300 D HA -0.003 4.637 4.640 -0.000 0.000 0.216 300 D C 0.257 176.100 176.300 -0.762 0.000 0.970 300 D CA 1.011 54.516 54.000 -0.825 0.000 0.889 300 D CB 0.020 40.006 40.800 -1.356 0.000 0.912 300 D HN 0.544 nan 8.370 nan 0.000 0.524 301 W N 0.336 121.649 121.300 0.021 0.000 2.735 301 W HA 0.206 4.866 4.660 -0.000 0.000 0.264 301 W C 0.880 177.405 176.519 0.010 0.000 1.233 301 W CA -0.349 57.028 57.345 0.054 0.000 1.408 301 W CB -0.455 29.074 29.460 0.115 0.000 1.038 301 W HN -0.291 nan 8.180 nan 0.000 0.603 302 V N 3.032 123.043 119.914 0.161 0.000 2.872 302 V HA 0.042 4.162 4.120 -0.000 0.000 0.307 302 V C -0.012 176.115 176.094 0.057 0.000 1.072 302 V CA 0.696 63.048 62.300 0.087 0.000 1.148 302 V CB 0.952 32.813 31.823 0.063 0.000 0.954 302 V HN 0.029 nan 8.190 nan 0.000 0.490 303 K N 4.706 125.136 120.400 0.051 0.000 2.565 303 K HA 0.509 4.829 4.320 -0.000 0.000 0.249 303 K C -1.609 175.011 176.600 0.033 0.000 0.958 303 K CA -0.708 55.601 56.287 0.037 0.000 0.806 303 K CB 2.065 34.594 32.500 0.049 0.000 1.194 303 K HN 0.556 nan 8.250 nan 0.000 0.434 304 V N 5.862 125.790 119.914 0.023 0.000 2.432 304 V HA 0.229 4.349 4.120 -0.000 0.000 0.271 304 V C 0.209 176.317 176.094 0.024 0.000 1.046 304 V CA -0.535 61.778 62.300 0.022 0.000 0.945 304 V CB 0.814 32.645 31.823 0.013 0.000 0.992 304 V HN 0.606 nan 8.190 nan 0.000 0.471 305 I N 7.566 128.156 120.570 0.032 0.000 2.315 305 I HA 0.356 4.526 4.170 -0.000 0.000 0.291 305 I C -2.057 174.074 176.117 0.023 0.000 1.006 305 I CA -2.719 58.599 61.300 0.031 0.000 1.265 305 I CB 1.077 39.102 38.000 0.042 0.000 1.387 305 I HN 0.390 nan 8.210 nan 0.000 0.475 306 P HA -0.054 nan 4.420 nan 0.000 0.264 306 P C 0.186 177.492 177.300 0.010 0.000 1.179 306 P CA 0.119 63.225 63.100 0.010 0.000 0.763 306 P CB 0.361 32.065 31.700 0.007 0.000 0.806 307 N N 3.155 121.860 118.700 0.008 0.000 3.193 307 N HA -0.015 4.725 4.740 -0.000 0.000 0.312 307 N C -0.598 174.910 175.510 -0.002 0.000 1.261 307 N CA 0.213 53.266 53.050 0.004 0.000 1.208 307 N CB -0.502 37.989 38.487 0.006 0.000 1.471 307 N HN 0.193 nan 8.380 nan 0.000 0.548 308 E N 0.272 120.470 120.200 -0.003 0.000 2.248 308 E HA 0.154 4.504 4.350 -0.000 0.000 0.267 308 E C 0.575 177.168 176.600 -0.012 0.000 0.877 308 E CA -0.572 55.824 56.400 -0.006 0.000 0.759 308 E CB 1.908 31.606 29.700 -0.003 0.000 1.182 308 E HN 0.311 nan 8.360 nan 0.000 0.418 309 R N 1.846 122.337 120.500 -0.015 0.000 2.103 309 R HA -0.226 4.114 4.340 -0.000 0.000 0.234 309 R C 1.370 177.659 176.300 -0.018 0.000 1.132 309 R CA 2.179 58.266 56.100 -0.021 0.000 0.925 309 R CB -0.041 30.247 30.300 -0.020 0.000 0.842 309 R HN 0.496 nan 8.270 nan 0.000 0.430 310 D N 0.330 120.723 120.400 -0.012 0.000 2.126 310 D HA -0.223 4.417 4.640 -0.000 0.000 0.190 310 D C 1.890 178.188 176.300 -0.005 0.000 1.001 310 D CA 1.663 55.659 54.000 -0.008 0.000 0.841 310 D CB -0.202 40.596 40.800 -0.004 0.000 0.949 310 D HN 0.398 nan 8.370 nan 0.000 0.446 311 I N 0.041 120.609 120.570 -0.002 0.000 2.394 311 I HA -0.227 3.943 4.170 -0.000 0.000 0.251 311 I C 1.934 178.054 176.117 0.005 0.000 1.136 311 I CA 1.149 62.451 61.300 0.003 0.000 1.425 311 I CB -0.058 37.945 38.000 0.006 0.000 1.079 311 I HN -0.044 nan 8.210 nan 0.000 0.425 312 T N 0.997 115.549 114.554 -0.004 0.000 2.777 312 T HA -0.089 4.261 4.350 -0.000 0.000 0.266 312 T C 1.929 176.620 174.700 -0.015 0.000 1.040 312 T CA 1.331 63.427 62.100 -0.008 0.000 1.141 312 T CB -0.323 68.528 68.868 -0.029 0.000 0.868 312 T HN 0.541 nan 8.240 nan 0.000 0.444 313 A N 1.618 124.425 122.820 -0.022 0.000 1.972 313 A HA -0.089 4.231 4.320 -0.000 0.000 0.219 313 A C 2.335 179.917 177.584 -0.003 0.000 1.169 313 A CA 1.304 53.328 52.037 -0.022 0.000 0.635 313 A CB -0.363 18.624 19.000 -0.022 0.000 0.810 313 A HN 0.434 nan 8.150 nan 0.000 0.446 314 R N -0.865 119.638 120.500 0.005 0.000 2.173 314 R HA 0.077 4.417 4.340 -0.000 0.000 0.208 314 R C 1.462 177.776 176.300 0.024 0.000 1.035 314 R CA 1.224 57.333 56.100 0.014 0.000 1.004 314 R CB 0.027 30.334 30.300 0.012 0.000 0.917 314 R HN 0.606 nan 8.270 nan 0.000 0.462 315 E N -0.312 119.905 120.200 0.028 0.000 2.453 315 E HA 0.046 4.396 4.350 -0.000 0.000 0.211 315 E C -0.161 176.474 176.600 0.058 0.000 0.897 315 E CA -0.042 56.383 56.400 0.041 0.000 1.063 315 E CB 0.569 30.291 29.700 0.038 0.000 1.080 315 E HN -0.027 nan 8.360 nan 0.000 0.512 316 L N 2.363 123.623 121.223 0.062 0.000 2.923 316 L HA 0.206 4.546 4.340 -0.000 0.000 0.231 316 L C -0.376 176.571 176.870 0.128 0.000 1.300 316 L CA 0.297 55.202 54.840 0.108 0.000 1.184 316 L CB 0.001 42.132 42.059 0.120 0.000 1.511 316 L HN -0.019 nan 8.230 nan 0.000 0.448 317 T N -3.114 111.502 114.554 0.103 0.000 2.843 317 T HA 0.505 4.855 4.350 -0.000 0.000 0.302 317 T C -2.455 172.301 174.700 0.093 0.000 1.232 317 T CA -1.463 60.697 62.100 0.100 0.000 1.009 317 T CB 1.757 70.660 68.868 0.058 0.000 1.254 317 T HN -0.167 nan 8.240 nan 0.000 0.504 318 P HA 0.068 nan 4.420 nan 0.000 0.217 318 P C 1.706 179.048 177.300 0.069 0.000 1.150 318 P CA 1.461 64.614 63.100 0.087 0.000 0.832 318 P CB -0.235 31.524 31.700 0.098 0.000 0.787 319 A N -0.097 122.760 122.820 0.062 0.000 1.940 319 A HA -0.254 4.066 4.320 -0.000 0.000 0.219 319 A C 2.257 179.870 177.584 0.048 0.000 1.176 319 A CA 2.261 54.328 52.037 0.050 0.000 0.631 319 A CB -1.016 18.010 19.000 0.043 0.000 0.814 319 A HN 0.091 nan 8.150 nan 0.000 0.446 320 K N -0.394 120.037 120.400 0.052 0.000 2.021 320 K HA 0.019 4.339 4.320 -0.000 0.000 0.205 320 K C 1.599 178.234 176.600 0.057 0.000 1.047 320 K CA 1.787 58.104 56.287 0.051 0.000 0.943 320 K CB -0.591 31.940 32.500 0.052 0.000 0.725 320 K HN 0.148 nan 8.250 nan 0.000 0.439 321 V N 1.324 121.277 119.914 0.066 0.000 2.548 321 V HA -0.085 4.035 4.120 -0.000 0.000 0.249 321 V C 0.480 176.612 176.094 0.063 0.000 1.055 321 V CA 1.353 63.697 62.300 0.072 0.000 1.065 321 V CB -0.810 31.062 31.823 0.081 0.000 0.681 321 V HN 0.341 nan 8.190 nan 0.000 0.462 322 T N 1.367 115.953 114.554 0.055 0.000 2.849 322 T HA 0.287 4.637 4.350 -0.000 0.000 0.289 322 T C 1.301 176.021 174.700 0.034 0.000 1.010 322 T CA 1.194 63.319 62.100 0.042 0.000 1.161 322 T CB 0.199 69.092 68.868 0.041 0.000 0.989 322 T HN 0.859 nan 8.240 nan 0.000 0.523 323 G N 2.687 111.500 108.800 0.020 0.000 2.184 323 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.264 323 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.264 323 G C 0.338 175.245 174.900 0.012 0.000 0.975 323 G CA 0.477 45.582 45.100 0.009 0.000 0.642 323 G HN 1.238 nan 8.290 nan 0.000 0.536 324 T N -2.351 112.222 114.554 0.033 0.000 2.942 324 T HA 0.725 5.075 4.350 -0.000 0.000 0.289 324 T C 0.996 175.744 174.700 0.079 0.000 1.044 324 T CA -0.622 61.512 62.100 0.057 0.000 1.023 324 T CB 1.931 70.849 68.868 0.084 0.000 1.123 324 T HN 0.306 nan 8.240 nan 0.000 0.512 325 L N 1.288 122.589 121.223 0.129 0.000 2.629 325 L HA 0.279 4.619 4.340 -0.000 0.000 0.230 325 L C 1.370 178.533 176.870 0.487 0.000 1.151 325 L CA -0.225 54.743 54.840 0.214 0.000 0.924 325 L CB 0.132 42.273 42.059 0.137 0.000 1.137 325 L HN 0.722 nan 8.230 nan 0.000 0.457 326 S N 0.127 116.023 115.700 0.327 0.000 2.548 326 S HA 0.309 4.779 4.470 -0.000 0.000 0.277 326 S C -0.046 174.695 174.600 0.235 0.000 1.315 326 S CA -0.386 57.987 58.200 0.289 0.000 1.050 326 S CB 1.004 64.312 63.200 0.181 0.000 0.918 326 S HN -0.016 nan 8.310 nan 0.000 0.497 327 V N 8.260 128.293 119.914 0.198 0.000 2.266 327 V HA 0.363 4.483 4.120 -0.000 0.000 0.266 327 V C -2.144 173.997 176.094 0.077 0.000 1.036 327 V CA -1.571 60.797 62.300 0.112 0.000 0.828 327 V CB 0.855 32.706 31.823 0.047 0.000 1.081 327 V HN 0.745 nan 8.190 nan 0.000 0.449 328 P HA 0.296 nan 4.420 nan 0.000 0.275 328 P C -0.785 176.545 177.300 0.050 0.000 1.227 328 P CA 0.011 63.150 63.100 0.064 0.000 0.781 328 P CB 2.112 33.856 31.700 0.074 0.000 0.906 329 V N 2.401 122.344 119.914 0.047 0.000 2.531 329 V HA 0.769 4.889 4.120 -0.000 0.000 0.301 329 V C 0.670 176.803 176.094 0.064 0.000 1.034 329 V CA -0.340 61.986 62.300 0.044 0.000 0.865 329 V CB 1.548 33.384 31.823 0.022 0.000 0.995 329 V HN 0.893 nan 8.190 nan 0.000 0.424 330 G N 2.264 111.125 108.800 0.103 0.000 3.086 330 G HA2 0.651 4.611 3.960 -0.000 0.000 0.282 330 G HA3 0.651 4.611 3.960 -0.000 0.000 0.282 330 G C -0.266 174.696 174.900 0.103 0.000 1.343 330 G CA -0.868 44.288 45.100 0.093 0.000 0.895 330 G HN 0.424 nan 8.290 nan 0.000 0.557 331 R N -1.616 118.923 120.500 0.066 0.000 3.741 331 R HA -0.143 4.197 4.340 -0.000 0.000 0.292 331 R C 0.072 176.403 176.300 0.052 0.000 1.176 331 R CA 0.276 56.406 56.100 0.049 0.000 0.794 331 R CB -2.562 27.773 30.300 0.059 0.000 1.213 331 R HN 0.440 nan 8.270 nan 0.000 0.494 332 L N 2.064 123.312 121.223 0.042 0.000 2.433 332 L HA 0.183 4.523 4.340 -0.000 0.000 0.275 332 L C 1.231 178.112 176.870 0.020 0.000 1.128 332 L CA 0.496 55.354 54.840 0.029 0.000 0.875 332 L CB 0.280 42.350 42.059 0.018 0.000 1.171 332 L HN 0.232 nan 8.230 nan 0.000 0.463 333 R N 2.030 122.543 120.500 0.021 0.000 2.728 333 R HA 0.478 4.818 4.340 -0.000 0.000 0.274 333 R C -1.563 174.751 176.300 0.024 0.000 1.032 333 R CA -1.250 54.860 56.100 0.017 0.000 0.866 333 R CB 1.023 31.333 30.300 0.017 0.000 1.263 333 R HN 0.053 nan 8.270 nan 0.000 0.475 334 K N 1.752 122.165 120.400 0.022 0.000 2.237 334 K HA 0.325 4.644 4.320 -0.000 0.000 0.270 334 K C 0.154 176.779 176.600 0.042 0.000 1.015 334 K CA -0.147 56.162 56.287 0.037 0.000 0.949 334 K CB 0.723 33.241 32.500 0.030 0.000 0.976 334 K HN 0.554 nan 8.250 nan 0.000 0.472 335 M N 0.674 120.314 119.600 0.067 0.000 2.494 335 M HA 0.227 4.707 4.480 -0.000 0.000 0.300 335 M C 1.469 177.756 176.300 -0.023 0.000 1.189 335 M CA -0.418 54.901 55.300 0.030 0.000 0.982 335 M CB 1.052 33.682 32.600 0.050 0.000 1.534 335 M HN 0.698 nan 8.290 nan 0.000 0.488 336 A N 0.688 123.475 122.820 -0.056 0.000 2.024 336 A HA -0.145 4.175 4.320 -0.000 0.000 0.220 336 A C 1.833 179.333 177.584 -0.141 0.000 1.164 336 A CA 1.801 53.792 52.037 -0.076 0.000 0.643 336 A CB -0.626 18.335 19.000 -0.066 0.000 0.806 336 A HN 0.860 nan 8.150 nan 0.000 0.451 337 M N -1.173 118.253 119.600 -0.291 0.000 2.374 337 M HA 0.188 4.668 4.480 -0.000 0.000 0.264 337 M C 1.044 177.164 176.300 -0.299 0.000 1.067 337 M CA 1.304 56.298 55.300 -0.510 0.000 1.103 337 M CB -0.278 31.522 32.600 -1.333 0.000 1.402 337 M HN 0.532 nan 8.290 nan 0.000 0.444 338 G N -1.582 107.171 108.800 -0.079 0.000 2.350 338 G HA2 0.034 3.994 3.960 -0.000 0.000 0.304 338 G HA3 0.034 3.994 3.960 -0.000 0.000 0.304 338 G C -1.071 173.934 174.900 0.175 0.000 1.421 338 G CA -0.816 44.352 45.100 0.113 0.000 0.934 338 G HN -0.023 nan 8.290 nan 0.000 0.632 339 D N -0.016 120.451 120.400 0.111 0.000 2.378 339 D HA 0.040 4.680 4.640 -0.000 0.000 0.227 339 D C 1.308 177.637 176.300 0.047 0.000 1.012 339 D CA 1.247 55.288 54.000 0.068 0.000 0.905 339 D CB 0.273 41.091 40.800 0.030 0.000 0.895 339 D HN 0.521 nan 8.370 nan 0.000 0.532 340 D N -0.835 119.608 120.400 0.072 0.000 2.388 340 D HA -0.018 4.622 4.640 -0.000 0.000 0.221 340 D C -0.262 175.891 176.300 -0.245 0.000 1.133 340 D CA -0.427 53.519 54.000 -0.090 0.000 0.831 340 D CB -0.763 39.954 40.800 -0.139 0.000 0.962 340 D HN 0.006 nan 8.370 nan 0.000 0.502 341 F N 0.833 120.713 119.950 -0.118 0.000 2.403 341 F HA 0.371 4.898 4.527 -0.000 0.000 0.355 341 F C -0.447 175.292 175.800 -0.102 0.000 1.119 341 F CA -1.276 56.643 58.000 -0.135 0.000 1.007 341 F CB 1.829 40.789 39.000 -0.067 0.000 1.194 341 F HN -0.172 nan 8.300 nan 0.000 0.443 342 L N 5.692 126.908 121.223 -0.012 0.000 2.305 342 L HA 0.444 4.784 4.340 -0.000 0.000 0.284 342 L C -0.450 176.435 176.870 0.025 0.000 1.013 342 L CA -0.255 54.581 54.840 -0.008 0.000 0.819 342 L CB 0.891 42.906 42.059 -0.073 0.000 1.227 342 L HN 0.536 nan 8.230 nan 0.000 0.417 343 N N 4.302 123.035 118.700 0.054 0.000 2.518 343 N HA 0.714 5.454 4.740 -0.000 0.000 0.283 343 N C -1.375 174.176 175.510 0.067 0.000 1.119 343 N CA 0.064 53.160 53.050 0.076 0.000 0.983 343 N CB 1.707 40.244 38.487 0.083 0.000 1.139 343 N HN 0.815 nan 8.380 nan 0.000 0.465 344 A N 2.944 125.819 122.820 0.090 0.000 2.517 344 A HA 0.550 4.870 4.320 -0.000 0.000 0.297 344 A C -1.911 175.757 177.584 0.141 0.000 1.050 344 A CA -0.650 51.441 52.037 0.090 0.000 0.694 344 A CB 0.823 19.846 19.000 0.038 0.000 1.277 344 A HN 0.614 nan 8.150 nan 0.000 0.400 345 F N 1.673 121.623 119.950 0.001 0.000 2.507 345 F HA 0.723 5.250 4.527 -0.000 0.000 0.328 345 F C 0.096 175.888 175.800 -0.013 0.000 1.136 345 F CA 0.113 58.104 58.000 -0.016 0.000 0.930 345 F CB 2.177 41.149 39.000 -0.047 0.000 1.166 345 F HN 0.635 nan 8.300 nan 0.000 0.436 346 T N 4.996 119.271 114.554 -0.465 0.000 2.907 346 T HA 0.803 5.153 4.350 -0.000 0.000 0.292 346 T C -1.794 172.718 174.700 -0.314 0.000 1.043 346 T CA -0.487 61.473 62.100 -0.233 0.000 1.003 346 T CB 1.421 70.214 68.868 -0.125 0.000 1.084 346 T HN 0.384 nan 8.240 nan 0.000 0.483 347 V N 2.067 121.925 119.914 -0.093 0.000 2.709 347 V HA 0.914 5.034 4.120 -0.000 0.000 0.308 347 V C 0.416 176.527 176.094 0.028 0.000 1.062 347 V CA -0.571 61.712 62.300 -0.028 0.000 0.901 347 V CB 1.835 33.692 31.823 0.057 0.000 1.003 347 V HN 1.174 nan 8.190 nan 0.000 0.425 348 G N 1.115 109.944 108.800 0.048 0.000 2.733 348 G HA2 0.474 4.434 3.960 -0.000 0.000 0.297 348 G HA3 0.474 4.434 3.960 -0.000 0.000 0.297 348 G C -1.746 173.189 174.900 0.059 0.000 1.422 348 G CA -0.465 44.678 45.100 0.072 0.000 0.942 348 G HN 0.597 nan 8.290 nan 0.000 0.510 349 D N 1.248 121.687 120.400 0.065 0.000 2.339 349 D HA 0.021 4.661 4.640 -0.000 0.000 0.256 349 D C 1.205 177.484 176.300 -0.035 0.000 1.214 349 D CA -0.327 53.681 54.000 0.013 0.000 0.877 349 D CB 1.408 42.218 40.800 0.018 0.000 1.111 349 D HN 0.453 nan 8.370 nan 0.000 0.478 350 Q N 4.663 124.376 119.800 -0.146 0.000 2.482 350 Q HA -0.053 4.287 4.340 -0.000 0.000 0.209 350 Q C 0.870 176.790 176.000 -0.134 0.000 0.961 350 Q CA 0.511 56.186 55.803 -0.213 0.000 0.945 350 Q CB 0.039 28.415 28.738 -0.603 0.000 1.012 350 Q HN 0.665 nan 8.270 nan 0.000 0.515 351 L N -0.477 120.685 121.223 -0.100 0.000 2.463 351 L HA 0.128 4.468 4.340 -0.000 0.000 0.219 351 L C 1.827 178.632 176.870 -0.108 0.000 1.088 351 L CA 0.135 54.923 54.840 -0.086 0.000 0.849 351 L CB 0.117 42.135 42.059 -0.068 0.000 1.012 351 L HN 0.132 nan 8.230 nan 0.000 0.468 352 L N -1.869 119.280 121.223 -0.124 0.000 2.292 352 L HA 0.000 4.340 4.340 -0.000 0.000 0.196 352 L C 2.003 178.716 176.870 -0.262 0.000 1.246 352 L CA 0.863 55.560 54.840 -0.239 0.000 0.864 352 L CB -0.601 41.291 42.059 -0.279 0.000 1.044 352 L HN 0.127 nan 8.230 nan 0.000 0.504 353 W N 0.283 121.496 121.300 -0.146 0.000 2.392 353 W HA -0.070 4.590 4.660 -0.000 0.000 0.279 353 W C 2.127 178.571 176.519 -0.125 0.000 1.225 353 W CA 0.760 58.004 57.345 -0.168 0.000 1.233 353 W CB -0.298 29.059 29.460 -0.172 0.000 1.122 353 W HN 0.279 nan 8.180 nan 0.000 0.561 354 G N -0.959 107.898 108.800 0.095 0.000 2.920 354 G HA2 0.265 4.225 3.960 -0.000 0.000 0.208 354 G HA3 0.265 4.225 3.960 -0.000 0.000 0.208 354 G C 0.823 175.721 174.900 -0.004 0.000 1.159 354 G CA 0.839 45.957 45.100 0.031 0.000 0.784 354 G HN 0.267 nan 8.290 nan 0.000 0.535 355 A N -0.495 122.305 122.820 -0.032 0.000 1.691 355 A HA 0.677 4.997 4.320 -0.000 0.000 0.137 355 A C 2.109 179.644 177.584 -0.082 0.000 1.444 355 A CA 1.209 53.218 52.037 -0.047 0.000 1.955 355 A CB -0.994 17.975 19.000 -0.052 0.000 1.909 355 A HN 0.643 nan 8.150 nan 0.000 1.201 356 A N -0.098 122.649 122.820 -0.122 0.000 1.898 356 A HA -0.056 4.264 4.320 -0.000 0.000 0.216 356 A C 1.779 179.229 177.584 -0.224 0.000 1.181 356 A CA 2.426 54.369 52.037 -0.157 0.000 0.620 356 A CB -0.595 18.309 19.000 -0.159 0.000 0.819 356 A HN 0.570 nan 8.150 nan 0.000 0.442 357 E N 0.076 120.074 120.200 -0.336 0.000 2.070 357 E HA -0.132 4.218 4.350 -0.000 0.000 0.197 357 E C -0.656 175.737 176.600 -0.345 0.000 1.004 357 E CA 2.065 58.159 56.400 -0.510 0.000 0.805 357 E CB -0.986 28.064 29.700 -1.084 0.000 0.744 357 E HN 0.435 nan 8.360 nan 0.000 0.451 358 P HA -0.137 nan 4.420 nan 0.000 0.218 358 P C 1.045 178.290 177.300 -0.092 0.000 1.148 358 P CA 1.179 64.249 63.100 -0.050 0.000 0.822 358 P CB -0.037 31.685 31.700 0.036 0.000 0.784 359 L N -1.393 119.763 121.223 -0.111 0.000 2.056 359 L HA -0.142 4.198 4.340 -0.000 0.000 0.207 359 L C 2.728 179.503 176.870 -0.158 0.000 1.078 359 L CA 1.454 56.226 54.840 -0.114 0.000 0.749 359 L CB -0.803 41.190 42.059 -0.111 0.000 0.901 359 L HN -0.099 nan 8.230 nan 0.000 0.433 360 R N 0.426 120.809 120.500 -0.194 0.000 2.082 360 R HA -0.152 4.188 4.340 -0.000 0.000 0.234 360 R C 2.566 178.746 176.300 -0.201 0.000 1.136 360 R CA 1.746 57.713 56.100 -0.221 0.000 0.935 360 R CB -0.244 29.901 30.300 -0.258 0.000 0.842 360 R HN 0.347 nan 8.270 nan 0.000 0.430 361 R N -0.612 119.774 120.500 -0.189 0.000 2.105 361 R HA -0.099 4.241 4.340 -0.000 0.000 0.239 361 R C 2.247 178.451 176.300 -0.159 0.000 1.135 361 R CA 1.849 57.862 56.100 -0.145 0.000 0.967 361 R CB -0.552 29.690 30.300 -0.096 0.000 0.861 361 R HN 0.286 nan 8.270 nan 0.000 0.442 362 T N 1.916 116.362 114.554 -0.181 0.000 2.788 362 T HA -0.125 4.225 4.350 -0.000 0.000 0.268 362 T C 1.762 176.277 174.700 -0.308 0.000 1.044 362 T CA 1.083 63.023 62.100 -0.267 0.000 1.139 362 T CB -0.194 68.522 68.868 -0.254 0.000 0.867 362 T HN 0.100 nan 8.240 nan 0.000 0.454 363 L N 1.292 122.370 121.223 -0.241 0.000 2.017 363 L HA 0.000 4.340 4.340 -0.000 0.000 0.208 363 L C 2.371 179.111 176.870 -0.218 0.000 1.073 363 L CA 1.696 56.397 54.840 -0.232 0.000 0.745 363 L CB -0.416 41.526 42.059 -0.196 0.000 0.894 363 L HN -0.051 nan 8.230 nan 0.000 0.432 364 R N -0.094 120.295 120.500 -0.186 0.000 2.120 364 R HA -0.053 4.287 4.340 -0.000 0.000 0.234 364 R C 2.281 178.493 176.300 -0.147 0.000 1.123 364 R CA 1.703 57.714 56.100 -0.147 0.000 0.975 364 R CB -0.855 29.375 30.300 -0.118 0.000 0.866 364 R HN 0.484 nan 8.270 nan 0.000 0.446 365 I N 0.280 120.740 120.570 -0.182 0.000 2.286 365 I HA -0.215 3.955 4.170 -0.000 0.000 0.245 365 I C 2.259 178.237 176.117 -0.231 0.000 1.104 365 I CA 1.068 62.258 61.300 -0.185 0.000 1.397 365 I CB -0.224 37.649 38.000 -0.213 0.000 1.072 365 I HN 0.016 nan 8.210 nan 0.000 0.417 366 I N 0.567 120.935 120.570 -0.337 0.000 2.226 366 I HA -0.296 3.874 4.170 -0.000 0.000 0.245 366 I C 2.455 178.421 176.117 -0.250 0.000 1.100 366 I CA 1.441 62.495 61.300 -0.411 0.000 1.374 366 I CB -0.256 37.338 38.000 -0.677 0.000 1.057 366 I HN 0.207 nan 8.210 nan 0.000 0.413 367 L N 0.548 121.654 121.223 -0.194 0.000 2.083 367 L HA -0.185 4.155 4.340 -0.000 0.000 0.209 367 L C 2.716 179.539 176.870 -0.079 0.000 1.083 367 L CA 1.298 56.068 54.840 -0.116 0.000 0.752 367 L CB -0.645 41.353 42.059 -0.101 0.000 0.899 367 L HN 0.234 nan 8.230 nan 0.000 0.433 368 A N -1.188 121.582 122.820 -0.084 0.000 2.168 368 A HA -0.040 4.280 4.320 -0.000 0.000 0.215 368 A C 1.079 178.647 177.584 -0.026 0.000 1.152 368 A CA 0.902 52.910 52.037 -0.048 0.000 0.716 368 A CB -0.180 18.792 19.000 -0.047 0.000 0.794 368 A HN 0.269 nan 8.150 nan 0.000 0.465 369 E N 0.000 120.176 120.200 -0.040 0.000 2.725 369 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 369 E CA 0.000 56.408 56.400 0.014 0.000 0.976 369 E CB 0.000 29.700 29.700 -0.000 0.000 0.812 369 E HN 0.000 nan 8.360 nan 0.000 0.440