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 2ogd_1_B DATA FIRST_RESID 1 DATA SEQUENCE MPMQMFMQVY DEIQMFLLEE LELKFDMDPN RVRYLRKMMD TTCLGGKYNR DATA SEQUENCE GLTVIDVAES LLSLXXXXXX XXDDGARRKR VLHDACVCGW MIEFLQAHYL DATA SEQUENCE VEDDIMDNSV TRRGKPCWYR HPDVTVQCAI NDGLLLKSWT HMMAMHFFAD DATA SEQUENCE RPFLQDLLCR FNRVDYTTAV GQLYDVTSMF DSNKLDPDVS QPTTTDFAEF DATA SEQUENCE TLSNYKRIVK YKTAYYTYLL PLVMGLIVSE ALPTVDMGVT EELAMLMGEY DATA SEQUENCE FQVQDDVMDC FTPPERLGKV GTDIQDAKCS WLAVTFLAKA SSAQVAEFKA DATA SEQUENCE NYGSGDSEKV ATVRRLYEEA DLQGDYVAYE AAVAEQVKEL IEKLRLCSPG DATA SEQUENCE FAASVETLWG KTYKRQK 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 0.000 176.316 176.300 0.026 0.000 1.140 1 M CA 0.000 55.315 55.300 0.025 0.000 0.988 1 M CB 0.000 32.612 32.600 0.020 0.000 1.302 2 P HA -0.151 nan 4.420 nan 0.000 0.216 2 P C 1.564 178.873 177.300 0.015 0.000 1.157 2 P CA 1.901 64.993 63.100 -0.014 0.000 0.880 2 P CB -0.231 31.436 31.700 -0.055 0.000 0.791 3 M N -0.707 118.905 119.600 0.021 0.000 2.132 3 M HA -0.190 4.289 4.480 -0.001 0.000 0.263 3 M C 2.268 178.635 176.300 0.112 0.000 1.065 3 M CA 1.757 57.097 55.300 0.067 0.000 1.122 3 M CB -1.063 31.564 32.600 0.045 0.000 1.365 3 M HN -0.141 nan 8.290 nan 0.000 0.411 4 Q N -0.356 119.492 119.800 0.079 0.000 2.030 4 Q HA -0.278 4.061 4.340 -0.001 0.000 0.204 4 Q C 2.244 178.304 176.000 0.099 0.000 0.986 4 Q CA 2.563 58.412 55.803 0.076 0.000 0.843 4 Q CB -0.388 28.384 28.738 0.056 0.000 0.904 4 Q HN 0.683 nan 8.270 nan 0.000 0.420 5 M N -0.494 119.169 119.600 0.105 0.000 2.117 5 M HA -0.167 4.312 4.480 -0.001 0.000 0.262 5 M C 1.867 178.277 176.300 0.184 0.000 1.065 5 M CA 1.535 56.906 55.300 0.118 0.000 1.114 5 M CB -0.228 32.430 32.600 0.097 0.000 1.361 5 M HN 0.348 nan 8.290 nan 0.000 0.408 6 F N 1.193 121.157 119.950 0.023 0.000 2.126 6 F HA -0.257 4.269 4.527 -0.001 0.000 0.299 6 F C 1.978 177.957 175.800 0.297 0.000 1.096 6 F CA 1.617 59.657 58.000 0.065 0.000 1.255 6 F CB -0.329 38.595 39.000 -0.127 0.000 0.997 6 F HN 0.183 nan 8.300 nan 0.000 0.479 7 M N -0.202 119.508 119.600 0.183 0.000 2.394 7 M HA -0.134 4.346 4.480 -0.001 0.000 0.264 7 M C 1.980 178.339 176.300 0.099 0.000 1.073 7 M CA 1.185 56.553 55.300 0.113 0.000 1.111 7 M CB -1.303 31.335 32.600 0.062 0.000 1.401 7 M HN 0.313 nan 8.290 nan 0.000 0.448 8 Q N -0.569 119.287 119.800 0.093 0.000 2.083 8 Q HA -0.074 4.266 4.340 -0.001 0.000 0.198 8 Q C 2.143 178.161 176.000 0.029 0.000 0.969 8 Q CA 1.241 57.081 55.803 0.062 0.000 0.838 8 Q CB -0.140 28.640 28.738 0.070 0.000 0.900 8 Q HN 0.328 nan 8.270 nan 0.000 0.436 9 V N 0.315 120.247 119.914 0.030 0.000 2.626 9 V HA -0.241 3.878 4.120 -0.001 0.000 0.252 9 V C 1.873 177.849 176.094 -0.197 0.000 1.067 9 V CA 1.481 63.739 62.300 -0.070 0.000 1.081 9 V CB -0.686 31.073 31.823 -0.106 0.000 0.686 9 V HN 0.353 nan 8.190 nan 0.000 0.468 10 Y N 1.744 121.810 120.300 -0.391 0.000 2.145 10 Y HA -0.247 4.303 4.550 -0.001 0.000 0.286 10 Y C 2.313 177.925 175.900 -0.481 0.000 1.145 10 Y CA 2.063 59.634 58.100 -0.882 0.000 1.148 10 Y CB -0.323 37.556 38.460 -0.968 0.000 0.981 10 Y HN 0.305 nan 8.280 nan 0.000 0.507 11 D N 0.130 120.384 120.400 -0.242 0.000 2.123 11 D HA -0.213 4.427 4.640 -0.001 0.000 0.196 11 D C 2.099 178.267 176.300 -0.221 0.000 0.992 11 D CA 1.701 55.568 54.000 -0.222 0.000 0.833 11 D CB -0.411 40.355 40.800 -0.057 0.000 0.954 11 D HN 0.638 nan 8.370 nan 0.000 0.455 12 E N 0.260 120.382 120.200 -0.131 0.000 2.077 12 E HA -0.152 4.197 4.350 -0.001 0.000 0.193 12 E C 2.252 178.850 176.600 -0.003 0.000 0.989 12 E CA 0.710 57.102 56.400 -0.013 0.000 0.800 12 E CB -0.096 29.654 29.700 0.082 0.000 0.746 12 E HN 0.242 nan 8.360 nan 0.000 0.452 13 I N 0.752 121.240 120.570 -0.137 0.000 2.202 13 I HA -0.278 3.891 4.170 -0.001 0.000 0.242 13 I C 2.865 178.797 176.117 -0.307 0.000 1.091 13 I CA 1.331 62.550 61.300 -0.135 0.000 1.368 13 I CB -0.349 37.431 38.000 -0.367 0.000 1.058 13 I HN 0.294 nan 8.210 nan 0.000 0.410 14 Q N 0.891 120.363 119.800 -0.546 0.000 2.084 14 Q HA -0.277 4.062 4.340 -0.001 0.000 0.202 14 Q C 2.375 178.146 176.000 -0.382 0.000 0.978 14 Q CA 1.940 57.399 55.803 -0.573 0.000 0.844 14 Q CB -0.103 28.216 28.738 -0.698 0.000 0.898 14 Q HN 0.449 nan 8.270 nan 0.000 0.426 15 M N -0.285 119.160 119.600 -0.258 0.000 2.108 15 M HA -0.181 4.298 4.480 -0.001 0.000 0.261 15 M C 1.871 178.067 176.300 -0.174 0.000 1.066 15 M CA 1.667 56.864 55.300 -0.172 0.000 1.107 15 M CB -0.233 32.313 32.600 -0.091 0.000 1.356 15 M HN 0.394 nan 8.290 nan 0.000 0.406 16 F N 1.029 120.811 119.950 -0.280 0.000 2.069 16 F HA -0.213 4.314 4.527 -0.001 0.000 0.298 16 F C 1.621 177.198 175.800 -0.373 0.000 1.113 16 F CA 1.840 59.622 58.000 -0.363 0.000 1.214 16 F CB -0.618 38.059 39.000 -0.539 0.000 0.978 16 F HN 0.112 nan 8.300 nan 0.000 0.474 17 L N -0.070 120.706 121.223 -0.744 0.000 1.994 17 L HA -0.242 4.097 4.340 -0.001 0.000 0.208 17 L C 2.618 179.121 176.870 -0.612 0.000 1.071 17 L CA 1.470 55.802 54.840 -0.847 0.000 0.745 17 L CB -0.956 40.577 42.059 -0.877 0.000 0.892 17 L HN 0.234 nan 8.230 nan 0.000 0.431 18 L N -0.548 120.394 121.223 -0.468 0.000 2.083 18 L HA -0.198 4.141 4.340 -0.001 0.000 0.209 18 L C 2.549 179.280 176.870 -0.231 0.000 1.083 18 L CA 1.323 55.984 54.840 -0.297 0.000 0.752 18 L CB -0.532 41.384 42.059 -0.239 0.000 0.899 18 L HN 0.333 nan 8.230 nan 0.000 0.433 19 E N -0.153 119.895 120.200 -0.252 0.000 2.107 19 E HA -0.245 4.105 4.350 -0.001 0.000 0.191 19 E C 2.011 178.501 176.600 -0.183 0.000 0.982 19 E CA 0.896 57.189 56.400 -0.177 0.000 0.809 19 E CB 0.012 29.625 29.700 -0.144 0.000 0.756 19 E HN 0.477 nan 8.360 nan 0.000 0.459 20 E N 1.268 121.272 120.200 -0.327 0.000 2.077 20 E HA -0.191 4.158 4.350 -0.001 0.000 0.193 20 E C 2.143 178.734 176.600 -0.016 0.000 0.989 20 E CA 0.679 56.934 56.400 -0.242 0.000 0.800 20 E CB -0.008 29.385 29.700 -0.511 0.000 0.746 20 E HN 0.204 nan 8.360 nan 0.000 0.452 21 L N 0.769 121.925 121.223 -0.112 0.000 2.131 21 L HA -0.174 4.166 4.340 -0.001 0.000 0.210 21 L C 2.719 179.642 176.870 0.089 0.000 1.092 21 L CA 1.358 56.190 54.840 -0.013 0.000 0.759 21 L CB -0.355 41.628 42.059 -0.127 0.000 0.903 21 L HN 0.297 nan 8.230 nan 0.000 0.435 22 E N -0.038 120.169 120.200 0.010 0.000 2.046 22 E HA -0.189 4.160 4.350 -0.001 0.000 0.190 22 E C 2.148 178.764 176.600 0.028 0.000 0.982 22 E CA 0.858 57.268 56.400 0.016 0.000 0.800 22 E CB 0.259 29.948 29.700 -0.018 0.000 0.756 22 E HN 0.264 nan 8.360 nan 0.000 0.449 23 L N 0.629 121.861 121.223 0.015 0.000 2.162 23 L HA -0.022 4.317 4.340 -0.001 0.000 0.205 23 L C 1.967 178.842 176.870 0.009 0.000 1.086 23 L CA 1.590 56.434 54.840 0.006 0.000 0.778 23 L CB -0.499 41.553 42.059 -0.012 0.000 0.928 23 L HN 0.036 nan 8.230 nan 0.000 0.446 24 K N -2.088 118.341 120.400 0.048 0.000 2.360 24 K HA 0.158 4.477 4.320 -0.001 0.000 0.196 24 K C 1.005 177.475 176.600 -0.217 0.000 1.049 24 K CA 0.158 56.406 56.287 -0.066 0.000 1.049 24 K CB 0.460 32.903 32.500 -0.095 0.000 0.881 24 K HN 0.067 nan 8.250 nan 0.000 0.542 25 F N 0.808 120.738 119.950 -0.035 0.000 2.683 25 F HA 0.115 4.641 4.527 -0.001 0.000 0.306 25 F C -0.002 175.789 175.800 -0.015 0.000 1.102 25 F CA -0.449 57.539 58.000 -0.020 0.000 1.244 25 F CB 0.538 39.530 39.000 -0.013 0.000 1.029 25 F HN -0.046 nan 8.300 nan 0.000 0.545 26 D N 1.394 121.855 120.400 0.102 0.000 2.811 26 D HA -0.274 4.366 4.640 -0.001 0.000 0.231 26 D C 0.272 176.615 176.300 0.070 0.000 1.157 26 D CA 0.592 54.627 54.000 0.058 0.000 0.716 26 D CB -0.870 39.947 40.800 0.028 0.000 1.077 26 D HN 0.321 nan 8.370 nan 0.000 0.428 27 M N 1.016 120.671 119.600 0.092 0.000 2.233 27 M HA 0.136 4.616 4.480 -0.001 0.000 0.350 27 M C 0.381 176.706 176.300 0.042 0.000 1.176 27 M CA -0.403 54.938 55.300 0.068 0.000 1.150 27 M CB 0.581 33.222 32.600 0.069 0.000 1.530 27 M HN 0.135 nan 8.290 nan 0.000 0.459 28 D N 4.690 125.111 120.400 0.035 0.000 2.383 28 D HA 0.203 4.843 4.640 -0.001 0.000 0.248 28 D C -2.390 173.929 176.300 0.030 0.000 1.170 28 D CA -1.476 52.541 54.000 0.027 0.000 0.977 28 D CB 0.176 40.990 40.800 0.022 0.000 1.120 28 D HN 0.339 nan 8.370 nan 0.000 0.481 29 P HA -0.121 nan 4.420 nan 0.000 0.216 29 P C 1.078 178.405 177.300 0.045 0.000 1.150 29 P CA 1.006 64.124 63.100 0.029 0.000 0.837 29 P CB 0.179 31.893 31.700 0.022 0.000 0.786 30 N N -0.458 118.270 118.700 0.046 0.000 2.084 30 N HA -0.128 4.612 4.740 -0.001 0.000 0.190 30 N C 1.724 177.292 175.510 0.098 0.000 1.030 30 N CA 1.241 54.329 53.050 0.064 0.000 0.849 30 N CB -0.515 37.999 38.487 0.044 0.000 1.012 30 N HN 0.206 nan 8.380 nan 0.000 0.423 31 R N 0.355 120.901 120.500 0.077 0.000 2.148 31 R HA 0.072 4.412 4.340 -0.001 0.000 0.223 31 R C 2.091 178.485 176.300 0.157 0.000 1.088 31 R CA 0.344 56.508 56.100 0.106 0.000 0.985 31 R CB -0.075 30.252 30.300 0.045 0.000 0.880 31 R HN 0.038 nan 8.270 nan 0.000 0.451 32 V N 0.964 120.938 119.914 0.101 0.000 2.427 32 V HA -0.222 3.897 4.120 -0.001 0.000 0.248 32 V C 2.448 178.597 176.094 0.091 0.000 1.051 32 V CA 1.655 64.001 62.300 0.076 0.000 1.048 32 V CB -0.511 31.329 31.823 0.027 0.000 0.666 32 V HN 0.291 nan 8.190 nan 0.000 0.456 33 R N -0.859 119.702 120.500 0.103 0.000 2.081 33 R HA -0.221 4.118 4.340 -0.001 0.000 0.235 33 R C 2.396 178.789 176.300 0.155 0.000 1.131 33 R CA 2.043 58.204 56.100 0.102 0.000 0.960 33 R CB -0.489 29.869 30.300 0.097 0.000 0.856 33 R HN 0.584 nan 8.270 nan 0.000 0.436 34 Y N 0.699 121.051 120.300 0.087 0.000 2.145 34 Y HA -0.231 4.319 4.550 -0.000 0.000 0.286 34 Y C 1.794 177.785 175.900 0.152 0.000 1.145 34 Y CA 1.485 59.666 58.100 0.135 0.000 1.148 34 Y CB -0.244 38.295 38.460 0.133 0.000 0.981 34 Y HN 0.069 nan 8.280 nan 0.000 0.507 35 L N 0.870 122.280 121.223 0.312 0.000 2.131 35 L HA -0.164 4.176 4.340 -0.001 0.000 0.210 35 L C 2.615 179.538 176.870 0.088 0.000 1.092 35 L CA 1.662 56.652 54.840 0.250 0.000 0.759 35 L CB -1.257 41.010 42.059 0.346 0.000 0.903 35 L HN 0.286 nan 8.230 nan 0.000 0.435 36 R N -0.268 120.248 120.500 0.026 0.000 2.075 36 R HA -0.218 4.121 4.340 -0.001 0.000 0.232 36 R C 2.271 178.544 176.300 -0.046 0.000 1.126 36 R CA 1.546 57.620 56.100 -0.043 0.000 0.963 36 R CB 0.005 30.286 30.300 -0.032 0.000 0.858 36 R HN 0.087 nan 8.270 nan 0.000 0.435 37 K N 0.535 120.913 120.400 -0.038 0.000 2.097 37 K HA -0.086 4.233 4.320 -0.001 0.000 0.205 37 K C 2.016 178.516 176.600 -0.166 0.000 1.050 37 K CA 1.354 57.617 56.287 -0.041 0.000 0.938 37 K CB -0.255 32.254 32.500 0.015 0.000 0.718 37 K HN 0.121 nan 8.250 nan 0.000 0.442 38 M N 0.075 119.480 119.600 -0.327 0.000 2.099 38 M HA -0.123 4.356 4.480 -0.001 0.000 0.262 38 M C 2.029 177.991 176.300 -0.564 0.000 1.067 38 M CA 1.708 56.517 55.300 -0.817 0.000 1.124 38 M CB -0.388 31.816 32.600 -0.660 0.000 1.353 38 M HN 0.418 nan 8.290 nan 0.000 0.410 39 M N 0.244 119.721 119.600 -0.205 0.000 2.067 39 M HA -0.255 4.224 4.480 -0.001 0.000 0.260 39 M C 1.337 177.555 176.300 -0.136 0.000 1.069 39 M CA 2.117 57.346 55.300 -0.120 0.000 1.117 39 M CB -0.458 32.085 32.600 -0.094 0.000 1.334 39 M HN 0.170 nan 8.290 nan 0.000 0.407 40 D N -0.138 120.225 120.400 -0.063 0.000 2.092 40 D HA -0.148 4.492 4.640 -0.001 0.000 0.193 40 D C 1.903 178.163 176.300 -0.067 0.000 0.994 40 D CA 2.122 56.111 54.000 -0.019 0.000 0.828 40 D CB -0.715 40.094 40.800 0.016 0.000 0.963 40 D HN 0.399 nan 8.370 nan 0.000 0.450 41 T N 0.042 114.534 114.554 -0.102 0.000 2.788 41 T HA -0.101 4.248 4.350 -0.001 0.000 0.268 41 T C 2.030 176.666 174.700 -0.106 0.000 1.044 41 T CA 1.548 63.614 62.100 -0.056 0.000 1.139 41 T CB -0.394 68.467 68.868 -0.011 0.000 0.867 41 T HN 0.123 nan 8.240 nan 0.000 0.454 42 T N 0.436 114.831 114.554 -0.265 0.000 2.896 42 T HA -0.029 4.320 4.350 -0.001 0.000 0.263 42 T C 2.043 176.665 174.700 -0.130 0.000 1.050 42 T CA 0.872 62.822 62.100 -0.249 0.000 1.140 42 T CB -0.259 68.343 68.868 -0.444 0.000 0.877 42 T HN 0.440 nan 8.240 nan 0.000 0.457 43 C N 0.670 119.887 119.300 -0.140 0.000 2.912 43 C HA 0.505 4.964 4.460 -0.001 0.000 0.274 43 C C 0.794 175.877 174.990 0.155 0.000 1.248 43 C CA -0.709 58.292 59.018 -0.029 0.000 1.694 43 C CB -0.680 26.911 27.740 -0.249 0.000 2.024 43 C HN 0.382 nan 8.230 nan 0.000 0.605 44 L N 0.102 121.360 121.223 0.057 0.000 2.313 44 L HA 0.703 5.042 4.340 -0.001 0.000 0.268 44 L C 1.166 178.076 176.870 0.066 0.000 1.010 44 L CA 0.370 55.299 54.840 0.148 0.000 0.814 44 L CB 1.015 43.081 42.059 0.012 0.000 1.304 44 L HN 0.309 nan 8.230 nan 0.000 0.441 45 G N 0.470 109.305 108.800 0.059 0.000 2.195 45 G HA2 -0.169 3.791 3.960 -0.001 0.000 0.224 45 G HA3 -0.169 3.791 3.960 -0.001 0.000 0.224 45 G C 0.328 175.127 174.900 -0.168 0.000 0.990 45 G CA -0.211 44.875 45.100 -0.023 0.000 0.639 45 G HN 1.025 nan 8.290 nan 0.000 0.514 46 G N -0.522 108.024 108.800 -0.424 0.000 2.531 46 G HA2 0.565 4.524 3.960 -0.001 0.000 0.281 46 G HA3 0.565 4.524 3.960 -0.001 0.000 0.281 46 G C 0.771 175.292 174.900 -0.630 0.000 1.382 46 G CA 0.250 45.092 45.100 -0.429 0.000 1.045 46 G HN 0.266 nan 8.290 nan 0.000 0.533 47 K N -1.504 118.683 120.400 -0.356 0.000 2.365 47 K HA 0.098 4.418 4.320 -0.001 0.000 0.197 47 K C -0.154 176.387 176.600 -0.098 0.000 1.042 47 K CA 0.156 56.335 56.287 -0.180 0.000 0.987 47 K CB -0.041 32.432 32.500 -0.046 0.000 0.779 47 K HN 0.426 nan 8.250 nan 0.000 0.484 48 Y N -0.528 119.780 120.300 0.012 0.000 4.409 48 Y HA -0.326 4.223 4.550 -0.001 0.000 0.228 48 Y C 0.882 176.686 175.900 -0.160 0.000 1.108 48 Y CA 0.187 58.257 58.100 -0.050 0.000 1.955 48 Y CB -2.875 35.563 38.460 -0.037 0.000 1.615 48 Y HN 0.182 nan 8.280 nan 0.000 0.665 49 N N 0.505 119.180 118.700 -0.043 0.000 2.061 49 N HA -0.170 4.569 4.740 -0.001 0.000 0.193 49 N C 1.856 177.246 175.510 -0.199 0.000 1.030 49 N CA 2.033 55.005 53.050 -0.130 0.000 0.856 49 N CB -0.251 38.135 38.487 -0.168 0.000 1.023 49 N HN 0.625 nan 8.380 nan 0.000 0.424 50 R N -0.151 120.242 120.500 -0.178 0.000 2.073 50 R HA -0.015 4.324 4.340 -0.001 0.000 0.234 50 R C 2.389 178.596 176.300 -0.156 0.000 1.134 50 R CA 1.363 57.361 56.100 -0.169 0.000 0.952 50 R CB -0.643 29.617 30.300 -0.066 0.000 0.850 50 R HN 0.249 nan 8.270 nan 0.000 0.433 51 G N 1.029 109.720 108.800 -0.183 0.000 2.402 51 G HA2 -0.184 3.776 3.960 -0.001 0.000 0.216 51 G HA3 -0.184 3.776 3.960 -0.001 0.000 0.216 51 G C 1.446 175.923 174.900 -0.706 0.000 1.162 51 G CA 0.293 45.153 45.100 -0.400 0.000 0.777 51 G HN 0.102 nan 8.290 nan 0.000 0.539 52 L N 0.645 121.459 121.223 -0.682 0.000 2.201 52 L HA -0.052 4.288 4.340 -0.001 0.000 0.212 52 L C 3.058 179.731 176.870 -0.329 0.000 1.105 52 L CA 1.211 55.707 54.840 -0.574 0.000 0.775 52 L CB -0.548 41.281 42.059 -0.384 0.000 0.913 52 L HN 0.163 nan 8.230 nan 0.000 0.440 53 T N -0.610 113.790 114.554 -0.258 0.000 2.821 53 T HA -0.119 4.230 4.350 -0.001 0.000 0.267 53 T C 2.044 176.663 174.700 -0.135 0.000 1.046 53 T CA 1.059 63.055 62.100 -0.174 0.000 1.139 53 T CB -0.084 68.679 68.868 -0.175 0.000 0.871 53 T HN 0.061 nan 8.240 nan 0.000 0.454 54 V N 1.624 121.448 119.914 -0.150 0.000 2.295 54 V HA -0.156 3.963 4.120 -0.001 0.000 0.246 54 V C 2.376 178.411 176.094 -0.098 0.000 1.049 54 V CA 1.527 63.769 62.300 -0.096 0.000 1.024 54 V CB -0.641 31.135 31.823 -0.077 0.000 0.648 54 V HN 0.495 nan 8.190 nan 0.000 0.447 55 I N 0.385 120.862 120.570 -0.156 0.000 2.226 55 I HA -0.266 3.904 4.170 -0.001 0.000 0.245 55 I C 2.342 178.408 176.117 -0.084 0.000 1.100 55 I CA 2.212 63.439 61.300 -0.122 0.000 1.374 55 I CB -0.474 37.417 38.000 -0.181 0.000 1.057 55 I HN 0.373 nan 8.210 nan 0.000 0.413 56 D N 0.474 120.816 120.400 -0.097 0.000 2.144 56 D HA -0.127 4.513 4.640 -0.001 0.000 0.200 56 D C 2.154 178.441 176.300 -0.022 0.000 0.978 56 D CA 0.888 54.852 54.000 -0.060 0.000 0.833 56 D CB 0.211 40.968 40.800 -0.072 0.000 0.961 56 D HN 0.043 nan 8.370 nan 0.000 0.470 57 V N 0.538 120.449 119.914 -0.006 0.000 2.358 57 V HA -0.161 3.958 4.120 -0.001 0.000 0.246 57 V C 2.502 178.624 176.094 0.047 0.000 1.047 57 V CA 1.597 63.937 62.300 0.067 0.000 1.035 57 V CB -0.791 31.110 31.823 0.130 0.000 0.658 57 V HN 0.313 nan 8.190 nan 0.000 0.452 58 A N -0.054 122.766 122.820 -0.000 0.000 1.865 58 A HA -0.314 4.005 4.320 -0.001 0.000 0.217 58 A C 2.289 179.870 177.584 -0.005 0.000 1.191 58 A CA 2.198 54.225 52.037 -0.018 0.000 0.623 58 A CB -0.655 18.325 19.000 -0.034 0.000 0.826 58 A HN 0.630 nan 8.150 nan 0.000 0.444 59 E N -0.189 120.008 120.200 -0.004 0.000 2.118 59 E HA -0.178 4.171 4.350 -0.001 0.000 0.195 59 E C 2.074 178.680 176.600 0.009 0.000 0.992 59 E CA 1.464 57.865 56.400 0.002 0.000 0.804 59 E CB -0.145 29.553 29.700 -0.003 0.000 0.741 59 E HN 0.537 nan 8.360 nan 0.000 0.458 60 S N 0.340 116.051 115.700 0.019 0.000 2.382 60 S HA -0.054 4.415 4.470 -0.001 0.000 0.228 60 S C 1.590 176.211 174.600 0.036 0.000 1.027 60 S CA 0.609 58.828 58.200 0.031 0.000 0.991 60 S CB 0.001 63.232 63.200 0.051 0.000 0.823 60 S HN 0.321 nan 8.310 nan 0.000 0.469 61 L N 1.106 122.348 121.223 0.032 0.000 2.599 61 L HA 0.143 4.482 4.340 -0.001 0.000 0.230 61 L C 1.750 178.620 176.870 -0.001 0.000 1.141 61 L CA 0.418 55.265 54.840 0.013 0.000 0.877 61 L CB -1.081 40.969 42.059 -0.015 0.000 1.009 61 L HN 0.287 nan 8.230 nan 0.000 0.447 62 L N 0.855 122.080 121.223 0.003 0.000 2.021 62 L HA -0.263 4.076 4.340 -0.001 0.000 0.215 62 L C 2.748 179.620 176.870 0.003 0.000 1.074 62 L CA 2.208 57.050 54.840 0.003 0.000 0.760 62 L CB -0.894 41.169 42.059 0.007 0.000 0.889 62 L HN 0.406 nan 8.230 nan 0.000 0.433 63 S N -1.678 114.025 115.700 0.005 0.000 2.571 63 S HA -0.069 4.401 4.470 -0.001 0.000 0.245 63 S C 0.950 175.550 174.600 0.001 0.000 0.976 63 S CA 0.235 58.437 58.200 0.004 0.000 0.954 63 S CB -0.904 62.299 63.200 0.006 0.000 0.756 63 S HN 0.320 nan 8.310 nan 0.000 0.535 74 D N 0.052 120.456 120.400 0.008 0.000 2.434 74 D HA 0.217 4.856 4.640 -0.001 0.000 0.232 74 D C 1.224 177.530 176.300 0.008 0.000 1.166 74 D CA 0.632 54.636 54.000 0.007 0.000 0.830 74 D CB 0.442 41.245 40.800 0.005 0.000 0.960 74 D HN 0.723 nan 8.370 nan 0.000 0.497 75 G N 0.703 109.510 108.800 0.011 0.000 2.336 75 G HA2 -0.429 3.530 3.960 -0.001 0.000 0.233 75 G HA3 -0.429 3.530 3.960 -0.001 0.000 0.233 75 G C 1.278 176.187 174.900 0.015 0.000 1.053 75 G CA 0.423 45.531 45.100 0.013 0.000 0.625 75 G HN 0.646 nan 8.290 nan 0.000 0.511 76 A N 0.453 123.280 122.820 0.012 0.000 1.865 76 A HA 0.030 4.349 4.320 -0.001 0.000 0.217 76 A C 2.293 179.888 177.584 0.019 0.000 1.191 76 A CA 2.436 54.480 52.037 0.012 0.000 0.623 76 A CB -0.536 18.468 19.000 0.007 0.000 0.826 76 A HN 0.398 nan 8.150 nan 0.000 0.444 77 R N -0.570 119.942 120.500 0.020 0.000 2.080 77 R HA -0.152 4.187 4.340 -0.001 0.000 0.236 77 R C 2.473 178.793 176.300 0.034 0.000 1.137 77 R CA 1.862 57.978 56.100 0.027 0.000 0.943 77 R CB -0.610 29.703 30.300 0.022 0.000 0.846 77 R HN 0.668 nan 8.270 nan 0.000 0.431 78 R N 0.972 121.489 120.500 0.029 0.000 2.091 78 R HA -0.164 4.176 4.340 -0.001 0.000 0.238 78 R C 2.269 178.596 176.300 0.045 0.000 1.136 78 R CA 1.992 58.112 56.100 0.032 0.000 0.959 78 R CB -0.183 30.132 30.300 0.025 0.000 0.856 78 R HN 0.096 nan 8.270 nan 0.000 0.437 79 K N 0.431 120.857 120.400 0.042 0.000 2.026 79 K HA -0.221 4.099 4.320 -0.001 0.000 0.208 79 K C 2.310 178.956 176.600 0.076 0.000 1.048 79 K CA 1.726 58.044 56.287 0.052 0.000 0.929 79 K CB -0.154 32.364 32.500 0.030 0.000 0.713 79 K HN 0.136 nan 8.250 nan 0.000 0.439 80 R N 0.316 120.854 120.500 0.064 0.000 2.062 80 R HA -0.077 4.262 4.340 -0.001 0.000 0.229 80 R C 2.075 178.457 176.300 0.136 0.000 1.128 80 R CA 1.357 57.510 56.100 0.089 0.000 0.960 80 R CB -0.268 30.072 30.300 0.067 0.000 0.855 80 R HN 0.048 nan 8.270 nan 0.000 0.432 81 V N 1.701 121.674 119.914 0.099 0.000 2.287 81 V HA -0.256 3.864 4.120 -0.001 0.000 0.248 81 V C 2.422 178.565 176.094 0.081 0.000 1.053 81 V CA 1.763 64.113 62.300 0.083 0.000 1.027 81 V CB -0.412 31.437 31.823 0.043 0.000 0.646 81 V HN 0.366 nan 8.190 nan 0.000 0.447 82 L N -0.745 120.527 121.223 0.081 0.000 2.141 82 L HA -0.174 4.166 4.340 -0.001 0.000 0.209 82 L C 2.607 179.535 176.870 0.097 0.000 1.094 82 L CA 1.695 56.577 54.840 0.070 0.000 0.763 82 L CB -0.842 41.253 42.059 0.061 0.000 0.908 82 L HN 0.494 nan 8.230 nan 0.000 0.437 83 H N 0.370 119.467 119.070 0.046 0.000 2.395 83 H HA -0.140 4.415 4.556 -0.001 0.000 0.299 83 H C 1.539 176.899 175.328 0.054 0.000 1.070 83 H CA 1.529 57.594 56.048 0.028 0.000 1.356 83 H CB 0.295 30.057 29.762 0.001 0.000 1.401 83 H HN 0.287 nan 8.280 nan 0.000 0.524 84 D N 0.572 121.142 120.400 0.282 0.000 2.117 84 D HA -0.078 4.562 4.640 -0.001 0.000 0.197 84 D C 2.253 178.692 176.300 0.231 0.000 0.987 84 D CA 1.249 55.489 54.000 0.401 0.000 0.829 84 D CB -0.412 40.593 40.800 0.342 0.000 0.961 84 D HN 0.452 nan 8.370 nan 0.000 0.460 85 A N 0.186 123.060 122.820 0.091 0.000 1.902 85 A HA -0.198 4.122 4.320 -0.001 0.000 0.217 85 A C 2.508 180.120 177.584 0.046 0.000 1.181 85 A CA 1.339 53.394 52.037 0.029 0.000 0.623 85 A CB -0.950 18.044 19.000 -0.010 0.000 0.818 85 A HN 0.355 nan 8.150 nan 0.000 0.443 86 C N -1.360 117.963 119.300 0.039 0.000 2.429 86 C HA -0.050 4.409 4.460 -0.001 0.000 0.277 86 C C 2.744 177.816 174.990 0.136 0.000 1.262 86 C CA 1.001 60.090 59.018 0.120 0.000 1.733 86 C CB -1.226 26.547 27.740 0.056 0.000 2.010 86 C HN 0.463 nan 8.230 nan 0.000 0.483 87 V N -0.119 119.788 119.914 -0.011 0.000 2.343 87 V HA -0.273 3.846 4.120 -0.001 0.000 0.247 87 V C 2.475 178.665 176.094 0.160 0.000 1.051 87 V CA 2.243 64.524 62.300 -0.032 0.000 1.036 87 V CB -0.818 30.826 31.823 -0.298 0.000 0.654 87 V HN 0.679 nan 8.190 nan 0.000 0.451 88 C N 0.646 120.097 119.300 0.251 0.000 2.425 88 C HA -0.036 4.423 4.460 -0.001 0.000 0.277 88 C C 2.905 178.001 174.990 0.176 0.000 1.280 88 C CA 0.664 59.810 59.018 0.212 0.000 1.744 88 C CB -1.674 26.148 27.740 0.136 0.000 1.989 88 C HN 0.700 nan 8.230 nan 0.000 0.491 89 G N -0.728 108.160 108.800 0.147 0.000 2.446 89 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.217 89 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.217 89 G C 1.387 176.420 174.900 0.221 0.000 1.168 89 G CA 0.649 45.813 45.100 0.107 0.000 0.771 89 G HN 0.679 nan 8.290 nan 0.000 0.551 90 W N 0.326 121.850 121.300 0.374 0.000 2.402 90 W HA 0.154 4.814 4.660 -0.001 0.000 0.286 90 W C 2.902 179.573 176.519 0.252 0.000 1.221 90 W CA 0.265 57.789 57.345 0.299 0.000 1.257 90 W CB -0.100 29.368 29.460 0.014 0.000 1.120 90 W HN 0.117 nan 8.180 nan 0.000 0.551 91 M N -0.335 119.455 119.600 0.316 0.000 2.108 91 M HA -0.241 4.238 4.480 -0.001 0.000 0.261 91 M C 1.862 178.476 176.300 0.523 0.000 1.066 91 M CA 1.778 57.207 55.300 0.214 0.000 1.107 91 M CB -0.639 31.902 32.600 -0.099 0.000 1.356 91 M HN 0.003 nan 8.290 nan 0.000 0.406 92 I N -0.583 120.292 120.570 0.510 0.000 2.353 92 I HA -0.218 3.952 4.170 -0.001 0.000 0.248 92 I C 2.319 178.741 176.117 0.510 0.000 1.119 92 I CA 0.877 62.495 61.300 0.530 0.000 1.417 92 I CB -0.521 37.698 38.000 0.364 0.000 1.078 92 I HN 0.252 nan 8.210 nan 0.000 0.421 93 E N 0.730 121.252 120.200 0.537 0.000 2.106 93 E HA -0.153 4.196 4.350 -0.001 0.000 0.192 93 E C 2.168 179.155 176.600 0.644 0.000 0.984 93 E CA 1.382 58.126 56.400 0.574 0.000 0.806 93 E CB -0.244 29.849 29.700 0.655 0.000 0.750 93 E HN 0.501 nan 8.360 nan 0.000 0.458 94 F N 0.321 120.562 119.950 0.486 0.000 2.259 94 F HA -0.137 4.390 4.527 -0.001 0.000 0.298 94 F C 2.302 178.318 175.800 0.360 0.000 1.088 94 F CA 0.084 58.336 58.000 0.419 0.000 1.358 94 F CB -0.017 39.236 39.000 0.422 0.000 1.040 94 F HN 0.046 nan 8.300 nan 0.000 0.505 95 L N 0.523 122.098 121.223 0.587 0.000 2.046 95 L HA -0.227 4.112 4.340 -0.001 0.000 0.208 95 L C 2.377 179.464 176.870 0.362 0.000 1.077 95 L CA 1.827 56.927 54.840 0.433 0.000 0.747 95 L CB -0.980 41.316 42.059 0.396 0.000 0.896 95 L HN 0.204 nan 8.230 nan 0.000 0.432 96 Q N -0.789 119.227 119.800 0.360 0.000 2.079 96 Q HA -0.190 4.150 4.340 -0.001 0.000 0.200 96 Q C 2.146 178.295 176.000 0.249 0.000 0.974 96 Q CA 1.673 57.661 55.803 0.307 0.000 0.840 96 Q CB -0.228 28.758 28.738 0.412 0.000 0.898 96 Q HN 0.622 nan 8.270 nan 0.000 0.430 97 A N 0.434 123.391 122.820 0.228 0.000 1.917 97 A HA -0.293 4.026 4.320 -0.001 0.000 0.219 97 A C 1.807 179.431 177.584 0.068 0.000 1.182 97 A CA 2.016 54.119 52.037 0.110 0.000 0.633 97 A CB -1.147 17.866 19.000 0.022 0.000 0.819 97 A HN 0.753 nan 8.150 nan 0.000 0.448 98 H N -2.034 117.039 119.070 0.005 0.000 2.267 98 H HA -0.213 4.343 4.556 -0.001 0.000 0.297 98 H C 1.806 177.039 175.328 -0.160 0.000 1.080 98 H CA 2.401 58.380 56.048 -0.115 0.000 1.278 98 H CB -0.550 29.105 29.762 -0.179 0.000 1.365 98 H HN 0.468 nan 8.280 nan 0.000 0.489 99 Y N -0.430 119.737 120.300 -0.221 0.000 2.181 99 Y HA -0.132 4.418 4.550 -0.001 0.000 0.288 99 Y C 2.468 178.284 175.900 -0.141 0.000 1.146 99 Y CA 1.071 59.007 58.100 -0.274 0.000 1.164 99 Y CB -0.485 37.864 38.460 -0.184 0.000 0.982 99 Y HN 0.241 nan 8.280 nan 0.000 0.515 100 L N -1.209 120.073 121.223 0.099 0.000 2.046 100 L HA -0.184 4.156 4.340 -0.001 0.000 0.208 100 L C 2.397 179.309 176.870 0.070 0.000 1.077 100 L CA 1.207 56.111 54.840 0.107 0.000 0.747 100 L CB -1.139 40.996 42.059 0.126 0.000 0.896 100 L HN 0.028 nan 8.230 nan 0.000 0.432 101 V N -0.514 119.409 119.914 0.015 0.000 2.295 101 V HA -0.246 3.873 4.120 -0.001 0.000 0.246 101 V C 2.514 178.613 176.094 0.008 0.000 1.049 101 V CA 1.640 63.972 62.300 0.054 0.000 1.024 101 V CB -0.477 31.347 31.823 0.002 0.000 0.648 101 V HN 0.449 nan 8.190 nan 0.000 0.447 102 E N -0.091 120.041 120.200 -0.114 0.000 2.072 102 E HA -0.231 4.119 4.350 -0.001 0.000 0.190 102 E C 1.956 178.516 176.600 -0.068 0.000 0.982 102 E CA 1.512 57.837 56.400 -0.126 0.000 0.803 102 E CB -0.428 29.133 29.700 -0.231 0.000 0.755 102 E HN 0.743 nan 8.360 nan 0.000 0.453 103 D N 1.118 121.514 120.400 -0.006 0.000 2.123 103 D HA -0.169 4.471 4.640 -0.001 0.000 0.196 103 D C 1.451 177.766 176.300 0.025 0.000 0.992 103 D CA 1.302 55.326 54.000 0.041 0.000 0.833 103 D CB 0.115 40.973 40.800 0.097 0.000 0.954 103 D HN -0.053 nan 8.370 nan 0.000 0.455 104 D N -0.303 120.125 120.400 0.047 0.000 2.144 104 D HA -0.113 4.526 4.640 -0.001 0.000 0.199 104 D C 2.207 178.437 176.300 -0.118 0.000 0.984 104 D CA 0.613 54.672 54.000 0.097 0.000 0.834 104 D CB -0.130 40.832 40.800 0.270 0.000 0.955 104 D HN 0.410 nan 8.370 nan 0.000 0.465 105 I N 0.286 120.614 120.570 -0.405 0.000 2.202 105 I HA -0.239 3.931 4.170 -0.001 0.000 0.242 105 I C 2.463 178.382 176.117 -0.330 0.000 1.091 105 I CA 0.804 61.633 61.300 -0.785 0.000 1.368 105 I CB -0.194 37.473 38.000 -0.555 0.000 1.058 105 I HN -0.066 nan 8.210 nan 0.000 0.410 106 M N 0.117 119.623 119.600 -0.157 0.000 2.213 106 M HA -0.210 4.270 4.480 -0.001 0.000 0.263 106 M C 0.935 177.231 176.300 -0.007 0.000 1.062 106 M CA 1.594 56.863 55.300 -0.053 0.000 1.105 106 M CB -0.270 32.327 32.600 -0.006 0.000 1.385 106 M HN 0.162 nan 8.290 nan 0.000 0.417 107 D N -0.799 119.604 120.400 0.004 0.000 2.349 107 D HA 0.033 4.673 4.640 -0.001 0.000 0.214 107 D C 0.062 176.397 176.300 0.058 0.000 1.063 107 D CA 0.212 54.239 54.000 0.044 0.000 0.847 107 D CB -0.277 40.561 40.800 0.064 0.000 0.933 107 D HN 0.253 nan 8.370 nan 0.000 0.513 108 N N 0.447 119.179 118.700 0.054 0.000 2.740 108 N HA -0.197 4.542 4.740 -0.001 0.000 0.248 108 N C -0.976 174.647 175.510 0.189 0.000 1.062 108 N CA 0.327 53.460 53.050 0.138 0.000 0.704 108 N CB -1.271 37.272 38.487 0.093 0.000 0.968 108 N HN -0.113 nan 8.380 nan 0.000 0.547 109 S N -1.199 114.638 115.700 0.228 0.000 2.614 109 S HA 0.411 4.881 4.470 -0.001 0.000 0.265 109 S C 1.748 176.462 174.600 0.190 0.000 1.303 109 S CA -0.260 58.051 58.200 0.185 0.000 1.000 109 S CB 1.626 64.929 63.200 0.172 0.000 0.935 109 S HN 0.456 nan 8.310 nan 0.000 0.551 110 V N -1.009 118.957 119.914 0.085 0.000 2.908 110 V HA 0.277 4.396 4.120 -0.001 0.000 0.240 110 V C 0.741 176.835 176.094 0.002 0.000 1.117 110 V CA 0.686 62.991 62.300 0.007 0.000 1.133 110 V CB -0.646 31.171 31.823 -0.010 0.000 0.857 110 V HN 0.849 nan 8.190 nan 0.000 0.478 111 T N -0.269 114.306 114.554 0.035 0.000 2.930 111 T HA 0.807 5.156 4.350 -0.001 0.000 0.290 111 T C -0.684 174.061 174.700 0.075 0.000 1.052 111 T CA -0.688 61.437 62.100 0.043 0.000 1.017 111 T CB 2.835 71.715 68.868 0.021 0.000 1.137 111 T HN 0.613 nan 8.240 nan 0.000 0.511 112 R N -0.053 120.498 120.500 0.086 0.000 2.536 112 R HA 0.526 4.865 4.340 -0.001 0.000 0.269 112 R C -0.501 175.848 176.300 0.081 0.000 1.113 112 R CA -0.553 55.604 56.100 0.094 0.000 0.948 112 R CB 0.884 31.264 30.300 0.133 0.000 1.237 112 R HN 0.830 nan 8.270 nan 0.000 0.441 113 R N 2.994 123.528 120.500 0.057 0.000 3.627 113 R HA -0.238 4.101 4.340 -0.001 0.000 0.281 113 R C 0.666 176.991 176.300 0.041 0.000 1.140 113 R CA 1.167 57.292 56.100 0.041 0.000 0.761 113 R CB -1.699 28.625 30.300 0.040 0.000 1.181 113 R HN 1.194 nan 8.270 nan 0.000 0.472 114 G N -1.025 107.797 108.800 0.037 0.000 2.179 114 G HA2 -0.368 3.591 3.960 -0.001 0.000 0.260 114 G HA3 -0.368 3.591 3.960 -0.001 0.000 0.260 114 G C 0.143 175.062 174.900 0.031 0.000 0.977 114 G CA 0.975 46.092 45.100 0.029 0.000 0.641 114 G HN 0.404 nan 8.290 nan 0.000 0.533 115 K N 0.059 120.491 120.400 0.054 0.000 2.346 115 K HA 0.580 4.900 4.320 -0.001 0.000 0.238 115 K C -2.817 173.819 176.600 0.060 0.000 1.039 115 K CA -2.390 53.930 56.287 0.056 0.000 0.861 115 K CB 1.943 34.514 32.500 0.118 0.000 1.278 115 K HN -0.091 nan 8.250 nan 0.000 0.460 116 P HA 0.065 nan 4.420 nan 0.000 0.269 116 P C -0.503 176.895 177.300 0.163 0.000 1.215 116 P CA -0.357 62.733 63.100 -0.016 0.000 0.780 116 P CB 0.416 31.992 31.700 -0.207 0.000 0.898 117 C N 2.144 121.506 119.300 0.103 0.000 2.745 117 C HA -0.040 4.420 4.460 -0.001 0.000 0.387 117 C C 2.125 177.291 174.990 0.294 0.000 1.312 117 C CA -0.210 58.933 59.018 0.209 0.000 2.204 117 C CB -0.813 27.060 27.740 0.223 0.000 2.686 117 C HN 0.762 nan 8.230 nan 0.000 0.705 118 W N 1.103 122.476 121.300 0.123 0.000 2.317 118 W HA -0.205 4.455 4.660 -0.000 0.000 0.318 118 W C 2.101 178.673 176.519 0.088 0.000 1.227 118 W CA 2.223 59.553 57.345 -0.025 0.000 1.269 118 W CB -0.499 28.939 29.460 -0.037 0.000 1.155 118 W HN 0.975 nan 8.180 nan 0.000 0.484 119 Y N 0.687 120.982 120.300 -0.009 0.000 2.639 119 Y HA 0.114 4.663 4.550 -0.001 0.000 0.297 119 Y C 1.892 177.750 175.900 -0.070 0.000 1.151 119 Y CA 0.831 58.873 58.100 -0.096 0.000 1.335 119 Y CB -1.088 37.383 38.460 0.019 0.000 0.994 119 Y HN -0.226 nan 8.280 nan 0.000 0.548 120 R N -0.127 120.031 120.500 -0.570 0.000 2.312 120 R HA 0.058 4.397 4.340 -0.001 0.000 0.205 120 R C -0.495 175.661 176.300 -0.241 0.000 0.904 120 R CA -0.017 55.778 56.100 -0.509 0.000 1.052 120 R CB -0.552 29.453 30.300 -0.491 0.000 1.014 120 R HN 0.419 nan 8.270 nan 0.000 0.503 121 H N 1.300 120.150 119.070 -0.367 0.000 2.928 121 H HA 0.030 4.585 4.556 -0.001 0.000 0.338 121 H C -1.342 173.834 175.328 -0.252 0.000 1.047 121 H CA -1.216 54.639 56.048 -0.321 0.000 1.435 121 H CB 0.588 30.044 29.762 -0.510 0.000 1.428 121 H HN -0.147 nan 8.280 nan 0.000 0.590 122 P HA -0.192 nan 4.420 nan 0.000 0.217 122 P C 0.786 178.047 177.300 -0.065 0.000 1.158 122 P CA 2.459 65.500 63.100 -0.099 0.000 0.887 122 P CB 0.121 31.767 31.700 -0.090 0.000 0.792 123 D N -1.335 119.039 120.400 -0.045 0.000 2.358 123 D HA 0.266 4.906 4.640 -0.001 0.000 0.224 123 D C 0.138 176.430 176.300 -0.013 0.000 1.123 123 D CA -0.028 53.967 54.000 -0.008 0.000 0.833 123 D CB -0.222 40.606 40.800 0.047 0.000 0.946 123 D HN -0.007 nan 8.370 nan 0.000 0.505 124 V N 2.115 121.955 119.914 -0.124 0.000 2.350 124 V HA 0.464 4.583 4.120 -0.001 0.000 0.285 124 V C 0.778 176.808 176.094 -0.107 0.000 1.014 124 V CA -0.656 61.534 62.300 -0.184 0.000 0.831 124 V CB 0.773 32.175 31.823 -0.701 0.000 1.000 124 V HN 0.486 nan 8.190 nan 0.000 0.433 125 T N 1.542 116.081 114.554 -0.026 0.000 2.868 125 T HA 0.275 4.624 4.350 -0.001 0.000 0.292 125 T C 1.221 175.947 174.700 0.043 0.000 1.028 125 T CA 0.049 62.151 62.100 0.004 0.000 1.059 125 T CB 1.819 70.692 68.868 0.008 0.000 0.991 125 T HN 0.292 nan 8.240 nan 0.000 0.531 126 V N 2.090 122.051 119.914 0.077 0.000 2.407 126 V HA -0.176 3.943 4.120 -0.001 0.000 0.248 126 V C 2.872 179.013 176.094 0.078 0.000 1.055 126 V CA 2.299 64.671 62.300 0.120 0.000 1.049 126 V CB -0.903 30.995 31.823 0.124 0.000 0.662 126 V HN 1.004 nan 8.190 nan 0.000 0.455 127 Q N -0.635 119.197 119.800 0.052 0.000 2.124 127 Q HA -0.244 4.095 4.340 -0.001 0.000 0.202 127 Q C 2.346 178.378 176.000 0.053 0.000 0.977 127 Q CA 2.376 58.202 55.803 0.039 0.000 0.850 127 Q CB -1.625 27.127 28.738 0.023 0.000 0.901 127 Q HN 0.662 nan 8.270 nan 0.000 0.429 128 C N 0.968 120.308 119.300 0.066 0.000 2.467 128 C HA 0.272 4.731 4.460 -0.001 0.000 0.279 128 C C 2.982 178.084 174.990 0.187 0.000 1.347 128 C CA 0.803 59.879 59.018 0.097 0.000 1.748 128 C CB -1.100 26.688 27.740 0.080 0.000 1.977 128 C HN 0.652 nan 8.230 nan 0.000 0.501 129 A N 0.796 123.737 122.820 0.201 0.000 1.908 129 A HA -0.106 4.213 4.320 -0.001 0.000 0.218 129 A C 2.051 179.769 177.584 0.224 0.000 1.181 129 A CA 2.001 54.230 52.037 0.320 0.000 0.627 129 A CB -0.724 18.441 19.000 0.275 0.000 0.818 129 A HN 0.649 nan 8.150 nan 0.000 0.445 130 I N -0.364 120.276 120.570 0.117 0.000 2.163 130 I HA -0.299 3.870 4.170 -0.001 0.000 0.243 130 I C 2.444 178.591 176.117 0.049 0.000 1.085 130 I CA 1.945 63.277 61.300 0.054 0.000 1.347 130 I CB -0.456 37.559 38.000 0.024 0.000 1.044 130 I HN 0.444 nan 8.210 nan 0.000 0.408 131 N N 0.775 119.509 118.700 0.056 0.000 2.216 131 N HA -0.182 4.557 4.740 -0.001 0.000 0.183 131 N C 1.432 176.947 175.510 0.009 0.000 1.017 131 N CA 1.255 54.320 53.050 0.025 0.000 0.861 131 N CB -0.015 38.484 38.487 0.020 0.000 0.986 131 N HN 0.174 nan 8.380 nan 0.000 0.428 132 D N -0.642 119.807 120.400 0.083 0.000 2.149 132 D HA -0.090 4.549 4.640 -0.001 0.000 0.198 132 D C 1.825 178.073 176.300 -0.087 0.000 0.990 132 D CA 1.294 55.315 54.000 0.036 0.000 0.839 132 D CB -0.811 40.139 40.800 0.250 0.000 0.948 132 D HN 0.453 nan 8.370 nan 0.000 0.460 133 G N 0.715 109.511 108.800 -0.007 0.000 2.422 133 G HA2 -0.192 3.768 3.960 -0.001 0.000 0.218 133 G HA3 -0.192 3.768 3.960 -0.001 0.000 0.218 133 G C 1.757 176.722 174.900 0.109 0.000 1.146 133 G CA 0.283 45.387 45.100 0.006 0.000 0.769 133 G HN 0.266 nan 8.290 nan 0.000 0.547 134 L N -0.155 121.080 121.223 0.021 0.000 2.083 134 L HA 0.001 4.341 4.340 -0.001 0.000 0.209 134 L C 2.898 179.653 176.870 -0.191 0.000 1.083 134 L CA 0.477 55.291 54.840 -0.045 0.000 0.752 134 L CB -0.478 41.551 42.059 -0.050 0.000 0.899 134 L HN 0.190 nan 8.230 nan 0.000 0.433 135 L N -0.365 120.674 121.223 -0.305 0.000 2.046 135 L HA -0.245 4.095 4.340 -0.001 0.000 0.208 135 L C 2.588 178.960 176.870 -0.830 0.000 1.077 135 L CA 1.221 55.670 54.840 -0.651 0.000 0.747 135 L CB -0.451 41.131 42.059 -0.796 0.000 0.896 135 L HN 0.251 nan 8.230 nan 0.000 0.432 136 L N -0.133 120.796 121.223 -0.489 0.000 2.012 136 L HA -0.280 4.059 4.340 -0.001 0.000 0.210 136 L C 2.688 179.631 176.870 0.121 0.000 1.073 136 L CA 1.580 56.365 54.840 -0.092 0.000 0.748 136 L CB -0.477 41.594 42.059 0.019 0.000 0.891 136 L HN 0.229 nan 8.230 nan 0.000 0.431 137 K N -0.364 119.999 120.400 -0.062 0.000 2.057 137 K HA -0.133 4.186 4.320 -0.001 0.000 0.206 137 K C 2.241 178.906 176.600 0.109 0.000 1.050 137 K CA 1.502 57.740 56.287 -0.082 0.000 0.935 137 K CB -0.026 32.136 32.500 -0.565 0.000 0.715 137 K HN 0.048 nan 8.250 nan 0.000 0.439 138 S N 0.013 115.703 115.700 -0.017 0.000 2.383 138 S HA -0.133 4.336 4.470 -0.001 0.000 0.229 138 S C 1.325 176.060 174.600 0.225 0.000 1.030 138 S CA 1.143 59.377 58.200 0.057 0.000 1.002 138 S CB -0.338 62.801 63.200 -0.102 0.000 0.829 138 S HN 0.425 nan 8.310 nan 0.000 0.467 139 W N 2.164 123.542 121.300 0.131 0.000 2.350 139 W HA -0.118 4.542 4.660 -0.001 0.000 0.289 139 W C 2.831 179.371 176.519 0.034 0.000 1.215 139 W CA 1.546 58.949 57.345 0.097 0.000 1.236 139 W CB -1.862 27.720 29.460 0.203 0.000 1.130 139 W HN 0.501 nan 8.180 nan 0.000 0.541 140 T N -3.035 111.705 114.554 0.311 0.000 2.788 140 T HA -0.249 4.100 4.350 -0.001 0.000 0.268 140 T C 1.538 176.202 174.700 -0.061 0.000 1.044 140 T CA 1.931 64.084 62.100 0.089 0.000 1.139 140 T CB -0.723 68.269 68.868 0.208 0.000 0.867 140 T HN 0.163 nan 8.240 nan 0.000 0.454 141 H N 0.414 119.550 119.070 0.110 0.000 2.363 141 H HA 0.212 4.767 4.556 -0.001 0.000 0.301 141 H C 2.440 177.823 175.328 0.091 0.000 1.074 141 H CA 1.592 57.692 56.048 0.087 0.000 1.354 141 H CB -0.203 29.626 29.762 0.111 0.000 1.397 141 H HN 0.169 nan 8.280 nan 0.000 0.516 142 M N 0.282 120.033 119.600 0.251 0.000 2.086 142 M HA -0.155 4.324 4.480 -0.001 0.000 0.261 142 M C 2.430 178.830 176.300 0.166 0.000 1.067 142 M CA 1.538 56.983 55.300 0.240 0.000 1.116 142 M CB -0.961 31.814 32.600 0.293 0.000 1.348 142 M HN 0.502 nan 8.290 nan 0.000 0.407 143 M N -0.931 118.722 119.600 0.088 0.000 2.175 143 M HA 0.017 4.496 4.480 -0.001 0.000 0.264 143 M C 2.203 178.441 176.300 -0.103 0.000 1.063 143 M CA 1.910 57.200 55.300 -0.016 0.000 1.119 143 M CB -0.893 31.684 32.600 -0.039 0.000 1.377 143 M HN 0.069 nan 8.290 nan 0.000 0.415 144 A N 1.050 123.802 122.820 -0.112 0.000 1.858 144 A HA -0.159 4.160 4.320 -0.001 0.000 0.216 144 A C 2.247 179.778 177.584 -0.088 0.000 1.190 144 A CA 2.229 54.185 52.037 -0.136 0.000 0.617 144 A CB -0.738 18.235 19.000 -0.046 0.000 0.827 144 A HN 0.616 nan 8.150 nan 0.000 0.443 145 M N -1.024 118.572 119.600 -0.006 0.000 2.117 145 M HA -0.120 4.359 4.480 -0.001 0.000 0.262 145 M C 1.926 178.161 176.300 -0.109 0.000 1.065 145 M CA 2.350 57.656 55.300 0.010 0.000 1.114 145 M CB -0.842 31.802 32.600 0.073 0.000 1.361 145 M HN 0.662 nan 8.290 nan 0.000 0.408 146 H N -0.760 118.095 119.070 -0.357 0.000 2.319 146 H HA -0.143 4.412 4.556 -0.001 0.000 0.299 146 H C 1.296 176.184 175.328 -0.733 0.000 1.092 146 H CA 2.568 58.190 56.048 -0.711 0.000 1.302 146 H CB -0.306 28.572 29.762 -1.474 0.000 1.373 146 H HN 0.421 nan 8.280 nan 0.000 0.497 147 F N -1.501 118.090 119.950 -0.598 0.000 2.473 147 F HA 0.112 4.639 4.527 -0.001 0.000 0.294 147 F C 1.034 176.646 175.800 -0.313 0.000 1.103 147 F CA 0.214 57.849 58.000 -0.608 0.000 1.442 147 F CB 0.101 38.673 39.000 -0.714 0.000 1.097 147 F HN 0.117 nan 8.300 nan 0.000 0.547 148 F N -0.753 119.221 119.950 0.041 0.000 2.653 148 F HA 0.470 4.996 4.527 -0.001 0.000 0.304 148 F C 1.948 177.682 175.800 -0.109 0.000 1.092 148 F CA -0.573 57.408 58.000 -0.032 0.000 1.279 148 F CB -1.501 37.533 39.000 0.058 0.000 1.044 148 F HN -0.078 nan 8.300 nan 0.000 0.564 149 A N 0.296 123.137 122.820 0.035 0.000 1.940 149 A HA -0.228 4.092 4.320 -0.001 0.000 0.221 149 A C 1.804 179.368 177.584 -0.034 0.000 1.190 149 A CA 2.440 54.472 52.037 -0.007 0.000 0.647 149 A CB -0.540 18.431 19.000 -0.049 0.000 0.821 149 A HN 0.280 nan 8.150 nan 0.000 0.457 150 D N -0.991 119.374 120.400 -0.058 0.000 2.349 150 D HA 0.054 4.693 4.640 -0.001 0.000 0.214 150 D C 0.196 176.404 176.300 -0.153 0.000 1.063 150 D CA -0.017 53.932 54.000 -0.085 0.000 0.847 150 D CB 0.021 40.778 40.800 -0.072 0.000 0.933 150 D HN 0.251 nan 8.370 nan 0.000 0.513 151 R N 1.312 121.660 120.500 -0.253 0.000 2.438 151 R HA 0.151 4.491 4.340 -0.001 0.000 0.287 151 R C -1.565 174.440 176.300 -0.493 0.000 1.077 151 R CA -1.359 54.405 56.100 -0.560 0.000 1.034 151 R CB 0.322 29.866 30.300 -1.260 0.000 0.993 151 R HN -0.090 nan 8.270 nan 0.000 0.459 152 P HA -0.113 nan 4.420 nan 0.000 0.220 152 P C 0.741 177.977 177.300 -0.106 0.000 1.148 152 P CA 1.080 64.076 63.100 -0.173 0.000 0.803 152 P CB -0.000 31.648 31.700 -0.087 0.000 0.782 153 F N -2.136 117.781 119.950 -0.056 0.000 2.811 153 F HA 0.217 4.744 4.527 -0.001 0.000 0.301 153 F C 1.535 177.296 175.800 -0.066 0.000 1.151 153 F CA -0.500 57.456 58.000 -0.072 0.000 1.412 153 F CB -1.605 37.323 39.000 -0.120 0.000 1.113 153 F HN -0.231 nan 8.300 nan 0.000 0.579 154 L N 1.412 122.637 121.223 0.004 0.000 1.978 154 L HA -0.266 4.073 4.340 -0.001 0.000 0.218 154 L C 2.785 179.744 176.870 0.149 0.000 1.075 154 L CA 2.598 57.501 54.840 0.104 0.000 0.767 154 L CB -1.191 40.885 42.059 0.028 0.000 0.890 154 L HN 0.489 nan 8.230 nan 0.000 0.434 155 Q N -1.170 118.692 119.800 0.103 0.000 2.061 155 Q HA -0.286 4.053 4.340 -0.001 0.000 0.204 155 Q C 1.999 178.069 176.000 0.117 0.000 0.984 155 Q CA 2.250 58.115 55.803 0.104 0.000 0.846 155 Q CB -0.334 28.448 28.738 0.073 0.000 0.902 155 Q HN 0.680 nan 8.270 nan 0.000 0.421 156 D N -0.325 120.145 120.400 0.116 0.000 2.117 156 D HA -0.180 4.460 4.640 -0.001 0.000 0.197 156 D C 1.885 178.253 176.300 0.113 0.000 0.987 156 D CA 1.038 55.100 54.000 0.104 0.000 0.829 156 D CB -0.136 40.716 40.800 0.088 0.000 0.961 156 D HN 0.327 nan 8.370 nan 0.000 0.460 157 L N 0.044 121.347 121.223 0.133 0.000 1.994 157 L HA -0.060 4.280 4.340 -0.001 0.000 0.208 157 L C 2.217 179.188 176.870 0.168 0.000 1.071 157 L CA 1.512 56.417 54.840 0.108 0.000 0.745 157 L CB -0.464 41.654 42.059 0.100 0.000 0.892 157 L HN 0.154 nan 8.230 nan 0.000 0.431 158 L N -1.510 119.822 121.223 0.180 0.000 2.093 158 L HA -0.251 4.089 4.340 -0.001 0.000 0.208 158 L C 2.788 179.807 176.870 0.248 0.000 1.085 158 L CA 1.179 56.148 54.840 0.215 0.000 0.755 158 L CB -0.714 41.461 42.059 0.194 0.000 0.904 158 L HN 0.525 nan 8.230 nan 0.000 0.435 159 C N 0.644 120.056 119.300 0.186 0.000 2.413 159 C HA -0.170 4.290 4.460 -0.001 0.000 0.276 159 C C 3.046 178.138 174.990 0.169 0.000 1.236 159 C CA 1.012 60.125 59.018 0.159 0.000 1.735 159 C CB -0.689 27.121 27.740 0.117 0.000 2.031 159 C HN 0.431 nan 8.230 nan 0.000 0.474 160 R N -1.006 119.597 120.500 0.173 0.000 2.075 160 R HA -0.071 4.269 4.340 -0.001 0.000 0.232 160 R C 2.131 178.560 176.300 0.216 0.000 1.126 160 R CA 1.762 57.964 56.100 0.169 0.000 0.963 160 R CB -0.709 29.677 30.300 0.144 0.000 0.858 160 R HN 0.627 nan 8.270 nan 0.000 0.435 161 F N 2.503 122.520 119.950 0.111 0.000 2.095 161 F HA -0.198 4.328 4.527 -0.001 0.000 0.298 161 F C 1.833 177.722 175.800 0.147 0.000 1.104 161 F CA 1.554 59.629 58.000 0.124 0.000 1.232 161 F CB -0.180 38.877 39.000 0.094 0.000 0.987 161 F HN -0.050 nan 8.300 nan 0.000 0.475 162 N N 0.376 119.237 118.700 0.269 0.000 2.244 162 N HA -0.120 4.619 4.740 -0.001 0.000 0.183 162 N C 1.977 177.562 175.510 0.124 0.000 1.016 162 N CA 1.032 54.195 53.050 0.189 0.000 0.866 162 N CB -0.409 38.227 38.487 0.249 0.000 0.980 162 N HN 0.382 nan 8.380 nan 0.000 0.430 163 R N 0.361 120.937 120.500 0.127 0.000 2.075 163 R HA 0.010 4.349 4.340 -0.001 0.000 0.232 163 R C 2.054 178.407 176.300 0.089 0.000 1.126 163 R CA 0.791 56.970 56.100 0.133 0.000 0.963 163 R CB -0.337 30.028 30.300 0.109 0.000 0.858 163 R HN 0.038 nan 8.270 nan 0.000 0.435 164 V N 1.455 121.394 119.914 0.041 0.000 2.427 164 V HA -0.230 3.889 4.120 -0.001 0.000 0.248 164 V C 1.930 178.024 176.094 0.001 0.000 1.051 164 V CA 2.023 64.335 62.300 0.020 0.000 1.048 164 V CB -0.507 31.359 31.823 0.071 0.000 0.666 164 V HN 0.330 nan 8.190 nan 0.000 0.456 165 D N -0.559 119.816 120.400 -0.042 0.000 2.097 165 D HA -0.267 4.373 4.640 -0.001 0.000 0.195 165 D C 2.046 178.445 176.300 0.165 0.000 0.989 165 D CA 1.590 55.611 54.000 0.036 0.000 0.827 165 D CB -0.272 40.520 40.800 -0.013 0.000 0.966 165 D HN 0.463 nan 8.370 nan 0.000 0.456 166 Y N 1.104 121.409 120.300 0.009 0.000 2.181 166 Y HA -0.188 4.362 4.550 -0.001 0.000 0.288 166 Y C 2.521 178.399 175.900 -0.038 0.000 1.146 166 Y CA 2.621 60.721 58.100 0.001 0.000 1.164 166 Y CB -1.172 37.281 38.460 -0.011 0.000 0.982 166 Y HN 0.177 nan 8.280 nan 0.000 0.515 167 T N -3.561 110.912 114.554 -0.135 0.000 2.833 167 T HA -0.167 4.182 4.350 -0.001 0.000 0.269 167 T C 1.833 176.470 174.700 -0.105 0.000 1.054 167 T CA 1.935 63.901 62.100 -0.224 0.000 1.135 167 T CB -1.050 67.666 68.868 -0.254 0.000 0.869 167 T HN 0.352 nan 8.240 nan 0.000 0.466 168 T N 2.024 116.525 114.554 -0.088 0.000 2.777 168 T HA 0.166 4.516 4.350 -0.001 0.000 0.266 168 T C 2.487 177.029 174.700 -0.264 0.000 1.040 168 T CA 1.182 63.156 62.100 -0.210 0.000 1.141 168 T CB -0.808 67.729 68.868 -0.551 0.000 0.868 168 T HN 0.612 nan 8.240 nan 0.000 0.444 169 A N 0.986 123.739 122.820 -0.112 0.000 1.933 169 A HA -0.032 4.287 4.320 -0.001 0.000 0.218 169 A C 2.552 180.054 177.584 -0.138 0.000 1.175 169 A CA 1.191 53.240 52.037 0.020 0.000 0.628 169 A CB -0.944 18.169 19.000 0.189 0.000 0.814 169 A HN 0.360 nan 8.150 nan 0.000 0.444 170 V N -0.170 119.560 119.914 -0.307 0.000 2.427 170 V HA -0.153 3.966 4.120 -0.001 0.000 0.248 170 V C 2.767 178.515 176.094 -0.577 0.000 1.051 170 V CA 1.817 63.787 62.300 -0.549 0.000 1.048 170 V CB -1.303 30.057 31.823 -0.770 0.000 0.666 170 V HN 0.610 nan 8.190 nan 0.000 0.456 171 G N -1.094 107.567 108.800 -0.232 0.000 2.402 171 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.216 171 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.216 171 G C 1.483 176.389 174.900 0.010 0.000 1.162 171 G CA 0.417 45.532 45.100 0.025 0.000 0.777 171 G HN 0.425 nan 8.290 nan 0.000 0.539 172 Q N -0.252 119.521 119.800 -0.046 0.000 2.135 172 Q HA -0.076 4.264 4.340 -0.001 0.000 0.204 172 Q C 2.569 178.577 176.000 0.013 0.000 0.981 172 Q CA 0.929 56.736 55.803 0.007 0.000 0.856 172 Q CB -0.546 28.205 28.738 0.022 0.000 0.902 172 Q HN 0.496 nan 8.270 nan 0.000 0.425 173 L N -0.187 120.989 121.223 -0.079 0.000 1.994 173 L HA -0.190 4.150 4.340 -0.001 0.000 0.208 173 L C 2.068 178.969 176.870 0.051 0.000 1.071 173 L CA 1.749 56.550 54.840 -0.067 0.000 0.745 173 L CB -0.913 41.023 42.059 -0.205 0.000 0.892 173 L HN 0.067 nan 8.230 nan 0.000 0.431 174 Y N 0.307 120.619 120.300 0.019 0.000 2.151 174 Y HA -0.290 4.259 4.550 -0.001 0.000 0.284 174 Y C 2.715 178.649 175.900 0.056 0.000 1.166 174 Y CA 1.443 59.563 58.100 0.033 0.000 1.163 174 Y CB -1.218 37.258 38.460 0.026 0.000 0.974 174 Y HN 0.456 nan 8.280 nan 0.000 0.511 175 D N -0.335 120.197 120.400 0.220 0.000 2.097 175 D HA -0.145 4.495 4.640 -0.001 0.000 0.197 175 D C 2.224 178.613 176.300 0.150 0.000 0.984 175 D CA 1.307 55.400 54.000 0.155 0.000 0.826 175 D CB -0.102 40.775 40.800 0.128 0.000 0.973 175 D HN 0.236 nan 8.370 nan 0.000 0.460 176 V N 0.718 120.722 119.914 0.151 0.000 3.217 176 V HA -0.078 4.041 4.120 -0.001 0.000 0.264 176 V C 1.851 178.105 176.094 0.266 0.000 1.135 176 V CA 2.109 64.513 62.300 0.175 0.000 1.142 176 V CB -0.189 31.716 31.823 0.137 0.000 0.754 176 V HN 0.471 nan 8.190 nan 0.000 0.484 177 T N -3.670 111.042 114.554 0.263 0.000 3.129 177 T HA 0.080 4.429 4.350 -0.001 0.000 0.267 177 T C 1.569 176.461 174.700 0.320 0.000 1.018 177 T CA 0.554 62.877 62.100 0.371 0.000 0.903 177 T CB 0.212 69.231 68.868 0.252 0.000 1.067 177 T HN 0.516 nan 8.240 nan 0.000 0.549 178 S N 2.062 117.892 115.700 0.217 0.000 2.489 178 S HA -0.019 4.450 4.470 -0.001 0.000 0.228 178 S C 1.915 176.630 174.600 0.190 0.000 0.995 178 S CA 0.240 58.526 58.200 0.145 0.000 0.934 178 S CB -0.509 62.715 63.200 0.040 0.000 0.771 178 S HN 0.607 nan 8.310 nan 0.000 0.522 179 M N -0.769 118.906 119.600 0.126 0.000 2.428 179 M HA 0.475 4.954 4.480 -0.001 0.000 0.239 179 M C -1.026 175.102 176.300 -0.286 0.000 1.121 179 M CA -0.194 55.141 55.300 0.058 0.000 1.019 179 M CB -1.317 31.239 32.600 -0.073 0.000 1.485 179 M HN 0.100 nan 8.290 nan 0.000 0.484 180 F N 1.658 121.679 119.950 0.118 0.000 2.469 180 F HA 0.417 4.943 4.527 -0.001 0.000 0.332 180 F C 0.454 176.287 175.800 0.056 0.000 1.103 180 F CA -1.208 56.825 58.000 0.055 0.000 0.979 180 F CB 0.750 39.781 39.000 0.052 0.000 1.137 180 F HN -0.003 nan 8.300 nan 0.000 0.463 181 D N 1.580 122.102 120.400 0.202 0.000 2.402 181 D HA -0.048 4.592 4.640 -0.001 0.000 0.268 181 D C 1.335 177.717 176.300 0.136 0.000 1.294 181 D CA 0.370 54.447 54.000 0.127 0.000 0.945 181 D CB 0.881 41.729 40.800 0.080 0.000 1.112 181 D HN 0.616 nan 8.370 nan 0.000 0.517 182 S N 3.632 119.409 115.700 0.129 0.000 2.419 182 S HA -0.208 4.261 4.470 -0.001 0.000 0.235 182 S C 1.444 176.089 174.600 0.075 0.000 1.019 182 S CA 0.559 58.824 58.200 0.108 0.000 0.982 182 S CB -0.077 63.184 63.200 0.102 0.000 0.789 182 S HN 0.480 nan 8.310 nan 0.000 0.490 183 N N 1.911 120.650 118.700 0.065 0.000 2.364 183 N HA -0.002 4.738 4.740 -0.001 0.000 0.183 183 N C 1.069 176.604 175.510 0.042 0.000 1.022 183 N CA 1.000 54.079 53.050 0.048 0.000 0.883 183 N CB -0.167 38.345 38.487 0.042 0.000 0.965 183 N HN 0.637 nan 8.380 nan 0.000 0.438 184 K N 0.230 120.659 120.400 0.049 0.000 2.399 184 K HA 0.223 4.542 4.320 -0.001 0.000 0.204 184 K C 0.149 176.764 176.600 0.025 0.000 1.023 184 K CA -0.242 56.068 56.287 0.037 0.000 1.127 184 K CB 0.768 33.293 32.500 0.043 0.000 0.856 184 K HN 0.068 nan 8.250 nan 0.000 0.514 185 L N 2.902 124.144 121.223 0.031 0.000 2.530 185 L HA 0.020 4.359 4.340 -0.001 0.000 0.273 185 L C -0.844 176.022 176.870 -0.007 0.000 1.141 185 L CA 0.623 55.466 54.840 0.006 0.000 0.905 185 L CB 0.157 42.234 42.059 0.030 0.000 1.202 185 L HN 0.133 nan 8.230 nan 0.000 0.473 186 D N 5.870 126.253 120.400 -0.029 0.000 2.738 186 D HA 0.260 4.900 4.640 -0.001 0.000 0.218 186 D C -1.928 174.348 176.300 -0.040 0.000 1.345 186 D CA -1.335 52.651 54.000 -0.024 0.000 0.943 186 D CB 2.119 42.911 40.800 -0.013 0.000 1.514 186 D HN 0.101 nan 8.370 nan 0.000 0.585 187 P HA -0.103 nan 4.420 nan 0.000 0.217 187 P C 0.529 177.807 177.300 -0.036 0.000 1.151 187 P CA 0.992 64.068 63.100 -0.040 0.000 0.849 187 P CB 0.371 32.055 31.700 -0.027 0.000 0.787 188 D N -1.502 118.882 120.400 -0.026 0.000 2.347 188 D HA 0.020 4.659 4.640 -0.001 0.000 0.213 188 D C 0.245 176.532 176.300 -0.021 0.000 0.985 188 D CA 0.667 54.654 54.000 -0.020 0.000 0.879 188 D CB 0.326 41.118 40.800 -0.013 0.000 0.919 188 D HN 0.077 nan 8.370 nan 0.000 0.526 189 V N 0.860 120.758 119.914 -0.026 0.000 2.407 189 V HA 0.175 4.295 4.120 -0.001 0.000 0.291 189 V C 0.391 176.463 176.094 -0.036 0.000 1.018 189 V CA -0.890 61.396 62.300 -0.023 0.000 0.842 189 V CB 1.794 33.609 31.823 -0.013 0.000 0.996 189 V HN -0.093 nan 8.190 nan 0.000 0.426 190 S N 3.546 119.227 115.700 -0.031 0.000 2.580 190 S HA 0.422 4.892 4.470 -0.001 0.000 0.266 190 S C -0.386 174.200 174.600 -0.024 0.000 1.354 190 S CA 0.173 58.349 58.200 -0.041 0.000 1.008 190 S CB 1.041 64.229 63.200 -0.020 0.000 0.898 190 S HN 0.796 nan 8.310 nan 0.000 0.555 191 Q N 1.355 121.143 119.800 -0.020 0.000 2.386 191 Q HA 0.540 4.880 4.340 -0.001 0.000 0.274 191 Q C -2.703 173.383 176.000 0.142 0.000 1.011 191 Q CA -1.206 54.623 55.803 0.043 0.000 0.867 191 Q CB 1.870 30.631 28.738 0.038 0.000 1.409 191 Q HN 0.555 nan 8.270 nan 0.000 0.395 192 P HA 0.354 nan 4.420 nan 0.000 0.281 192 P C -0.686 176.747 177.300 0.222 0.000 1.281 192 P CA -0.434 62.784 63.100 0.197 0.000 0.811 192 P CB 0.717 32.470 31.700 0.087 0.000 1.154 193 T N 0.706 115.294 114.554 0.056 0.000 2.946 193 T HA 0.025 4.374 4.350 -0.001 0.000 0.311 193 T C 0.682 175.247 174.700 -0.226 0.000 1.063 193 T CA 0.627 62.585 62.100 -0.238 0.000 1.139 193 T CB -0.286 68.440 68.868 -0.236 0.000 0.994 193 T HN 0.476 nan 8.240 nan 0.000 0.547 194 T N 1.994 116.332 114.554 -0.360 0.000 2.933 194 T HA 0.077 4.427 4.350 -0.001 0.000 0.306 194 T C 1.558 175.915 174.700 -0.571 0.000 1.045 194 T CA 0.486 62.341 62.100 -0.409 0.000 1.143 194 T CB 0.213 68.784 68.868 -0.494 0.000 1.003 194 T HN 0.824 nan 8.240 nan 0.000 0.540 195 T N 0.263 114.636 114.554 -0.302 0.000 2.990 195 T HA 0.082 4.431 4.350 -0.001 0.000 0.249 195 T C 1.296 175.995 174.700 -0.001 0.000 1.039 195 T CA 0.510 62.528 62.100 -0.137 0.000 1.036 195 T CB 0.094 68.947 68.868 -0.026 0.000 0.994 195 T HN 0.694 nan 8.240 nan 0.000 0.489 196 D N 0.750 121.118 120.400 -0.053 0.000 2.346 196 D HA 0.025 4.664 4.640 -0.001 0.000 0.206 196 D C 0.621 177.007 176.300 0.142 0.000 1.001 196 D CA -0.437 53.603 54.000 0.066 0.000 0.871 196 D CB -0.826 39.991 40.800 0.028 0.000 0.943 196 D HN 0.365 nan 8.370 nan 0.000 0.518 197 F N -0.258 119.604 119.950 -0.146 0.000 3.100 197 F HA -0.290 4.237 4.527 -0.001 0.000 0.283 197 F C 1.759 177.503 175.800 -0.094 0.000 0.900 197 F CA 0.272 58.093 58.000 -0.299 0.000 1.010 197 F CB -1.789 36.911 39.000 -0.499 0.000 1.029 197 F HN 0.186 nan 8.300 nan 0.000 0.637 198 A N -0.386 122.492 122.820 0.097 0.000 2.070 198 A HA -0.152 4.168 4.320 -0.001 0.000 0.220 198 A C 1.956 179.630 177.584 0.151 0.000 1.159 198 A CA 1.759 53.857 52.037 0.101 0.000 0.656 198 A CB -0.302 18.735 19.000 0.063 0.000 0.800 198 A HN 0.644 nan 8.150 nan 0.000 0.453 199 E N -1.390 118.946 120.200 0.228 0.000 2.479 199 E HA 0.076 4.425 4.350 -0.001 0.000 0.193 199 E C -0.712 176.106 176.600 0.362 0.000 1.049 199 E CA -0.377 56.175 56.400 0.252 0.000 0.870 199 E CB 0.072 29.904 29.700 0.219 0.000 0.944 199 E HN 0.555 nan 8.360 nan 0.000 0.492 200 F N 2.363 122.378 119.950 0.109 0.000 2.659 200 F HA 0.062 4.589 4.527 -0.001 0.000 0.360 200 F C 0.870 176.680 175.800 0.016 0.000 1.218 200 F CA -0.212 57.848 58.000 0.099 0.000 1.317 200 F CB -0.511 38.574 39.000 0.141 0.000 1.697 200 F HN -0.208 nan 8.300 nan 0.000 0.637 201 T N -2.302 112.333 114.554 0.135 0.000 2.918 201 T HA 0.344 4.694 4.350 -0.001 0.000 0.286 201 T C 0.956 175.686 174.700 0.050 0.000 1.026 201 T CA -0.830 61.305 62.100 0.059 0.000 1.031 201 T CB 1.816 70.717 68.868 0.055 0.000 1.046 201 T HN 0.185 nan 8.240 nan 0.000 0.479 202 L N 1.979 123.212 121.223 0.017 0.000 2.079 202 L HA -0.004 4.336 4.340 -0.001 0.000 0.210 202 L C 2.710 179.656 176.870 0.126 0.000 1.081 202 L CA 2.255 57.132 54.840 0.063 0.000 0.752 202 L CB -1.158 40.914 42.059 0.023 0.000 0.896 202 L HN 0.942 nan 8.230 nan 0.000 0.433 203 S N -0.488 115.257 115.700 0.075 0.000 2.353 203 S HA -0.207 4.263 4.470 -0.001 0.000 0.222 203 S C 1.901 176.532 174.600 0.051 0.000 1.035 203 S CA 1.659 59.895 58.200 0.061 0.000 1.025 203 S CB -0.363 62.860 63.200 0.038 0.000 0.902 203 S HN 0.635 nan 8.310 nan 0.000 0.440 204 N N -0.056 118.673 118.700 0.047 0.000 2.188 204 N HA -0.080 4.659 4.740 -0.001 0.000 0.184 204 N C 1.470 176.998 175.510 0.029 0.000 1.018 204 N CA 1.289 54.345 53.050 0.011 0.000 0.858 204 N CB -0.697 37.803 38.487 0.021 0.000 0.989 204 N HN 0.626 nan 8.380 nan 0.000 0.426 205 Y N 2.084 122.365 120.300 -0.031 0.000 2.145 205 Y HA -0.139 4.410 4.550 -0.001 0.000 0.286 205 Y C 2.006 177.929 175.900 0.038 0.000 1.145 205 Y CA 1.643 59.737 58.100 -0.010 0.000 1.148 205 Y CB -0.096 38.360 38.460 -0.007 0.000 0.981 205 Y HN -0.067 nan 8.280 nan 0.000 0.507 206 K N -0.099 120.311 120.400 0.017 0.000 2.103 206 K HA -0.243 4.077 4.320 -0.001 0.000 0.207 206 K C 2.342 178.893 176.600 -0.081 0.000 1.048 206 K CA 1.729 57.989 56.287 -0.045 0.000 0.930 206 K CB -0.261 32.277 32.500 0.063 0.000 0.716 206 K HN 0.288 nan 8.250 nan 0.000 0.444 207 R N 1.300 121.776 120.500 -0.040 0.000 2.066 207 R HA -0.093 4.246 4.340 -0.001 0.000 0.232 207 R C 2.209 178.571 176.300 0.104 0.000 1.131 207 R CA 1.236 57.352 56.100 0.026 0.000 0.955 207 R CB -0.220 30.014 30.300 -0.111 0.000 0.851 207 R HN 0.120 nan 8.270 nan 0.000 0.432 208 I N 0.355 120.914 120.570 -0.018 0.000 2.127 208 I HA -0.299 3.870 4.170 -0.001 0.000 0.241 208 I C 2.256 178.406 176.117 0.055 0.000 1.075 208 I CA 1.357 62.703 61.300 0.077 0.000 1.334 208 I CB -0.252 37.737 38.000 -0.019 0.000 1.040 208 I HN 0.069 nan 8.210 nan 0.000 0.405 209 V N 0.879 120.691 119.914 -0.171 0.000 2.427 209 V HA -0.272 3.847 4.120 -0.001 0.000 0.248 209 V C 2.492 178.566 176.094 -0.033 0.000 1.051 209 V CA 1.824 64.037 62.300 -0.145 0.000 1.048 209 V CB -0.721 30.887 31.823 -0.357 0.000 0.666 209 V HN 0.426 nan 8.190 nan 0.000 0.456 210 K N -0.464 119.899 120.400 -0.063 0.000 2.009 210 K HA -0.224 4.095 4.320 -0.001 0.000 0.210 210 K C 2.176 178.737 176.600 -0.065 0.000 1.049 210 K CA 2.160 58.355 56.287 -0.152 0.000 0.929 210 K CB -0.317 32.009 32.500 -0.289 0.000 0.714 210 K HN 0.475 nan 8.250 nan 0.000 0.440 211 Y N 0.894 121.341 120.300 0.245 0.000 2.243 211 Y HA -0.063 4.486 4.550 -0.001 0.000 0.293 211 Y C 2.225 178.234 175.900 0.183 0.000 1.124 211 Y CA 1.571 59.833 58.100 0.271 0.000 1.159 211 Y CB -0.099 38.484 38.460 0.205 0.000 1.008 211 Y HN 0.178 nan 8.280 nan 0.000 0.527 212 K N -1.371 119.196 120.400 0.280 0.000 2.365 212 K HA 0.013 4.333 4.320 -0.001 0.000 0.199 212 K C 0.883 177.648 176.600 0.275 0.000 1.045 212 K CA 1.841 58.240 56.287 0.187 0.000 0.962 212 K CB -0.097 32.489 32.500 0.142 0.000 0.759 212 K HN 0.113 nan 8.250 nan 0.000 0.469 213 T N -0.557 114.139 114.554 0.235 0.000 3.250 213 T HA 0.252 4.602 4.350 -0.001 0.000 0.265 213 T C 1.808 176.521 174.700 0.021 0.000 0.973 213 T CA 0.201 62.395 62.100 0.155 0.000 1.040 213 T CB 0.037 69.011 68.868 0.176 0.000 1.167 213 T HN 0.250 nan 8.240 nan 0.000 0.471 214 A N 0.994 123.838 122.820 0.040 0.000 1.873 214 A HA -0.148 4.172 4.320 -0.001 0.000 0.218 214 A C 1.926 179.475 177.584 -0.058 0.000 1.193 214 A CA 1.879 53.887 52.037 -0.048 0.000 0.629 214 A CB -1.179 17.695 19.000 -0.211 0.000 0.826 214 A HN 0.541 nan 8.150 nan 0.000 0.447 215 Y N -1.074 119.243 120.300 0.029 0.000 2.114 215 Y HA -0.261 4.289 4.550 -0.001 0.000 0.284 215 Y C 2.472 178.430 175.900 0.097 0.000 1.143 215 Y CA 2.219 60.357 58.100 0.063 0.000 1.135 215 Y CB -0.842 37.666 38.460 0.080 0.000 0.980 215 Y HN 0.664 nan 8.280 nan 0.000 0.499 216 Y N -2.050 118.352 120.300 0.170 0.000 2.519 216 Y HA 0.109 4.659 4.550 -0.001 0.000 0.287 216 Y C 1.804 177.724 175.900 0.033 0.000 1.128 216 Y CA 1.067 59.221 58.100 0.090 0.000 1.282 216 Y CB -0.815 37.678 38.460 0.055 0.000 1.027 216 Y HN -0.107 nan 8.280 nan 0.000 0.551 217 T N -0.799 113.399 114.554 -0.592 0.000 3.031 217 T HA 0.054 4.403 4.350 -0.001 0.000 0.254 217 T C 0.732 175.046 174.700 -0.644 0.000 1.060 217 T CA 1.301 62.984 62.100 -0.695 0.000 1.135 217 T CB -0.190 68.216 68.868 -0.769 0.000 0.896 217 T HN 0.404 nan 8.240 nan 0.000 0.472 218 Y N -0.401 119.754 120.300 -0.242 0.000 2.594 218 Y HA 0.408 4.957 4.550 -0.001 0.000 0.283 218 Y C 1.750 177.604 175.900 -0.077 0.000 1.140 218 Y CA -0.441 57.563 58.100 -0.159 0.000 1.261 218 Y CB -0.295 38.072 38.460 -0.156 0.000 1.358 218 Y HN 0.000 nan 8.280 nan 0.000 0.513 219 L N -0.111 121.154 121.223 0.070 0.000 2.005 219 L HA -0.111 4.228 4.340 -0.001 0.000 0.207 219 L C 2.137 179.070 176.870 0.105 0.000 1.072 219 L CA 1.491 56.379 54.840 0.080 0.000 0.744 219 L CB -1.032 41.070 42.059 0.072 0.000 0.895 219 L HN 0.240 nan 8.230 nan 0.000 0.433 220 L N 0.182 121.481 121.223 0.125 0.000 2.012 220 L HA -0.115 4.224 4.340 -0.001 0.000 0.210 220 L C -0.503 176.430 176.870 0.105 0.000 1.073 220 L CA 2.135 57.062 54.840 0.145 0.000 0.748 220 L CB -1.793 40.382 42.059 0.194 0.000 0.891 220 L HN 0.173 nan 8.230 nan 0.000 0.431 221 P HA -0.163 nan 4.420 nan 0.000 0.215 221 P C 2.084 179.401 177.300 0.028 0.000 1.153 221 P CA 1.515 64.620 63.100 0.008 0.000 0.853 221 P CB -0.001 31.645 31.700 -0.090 0.000 0.788 222 L N -1.283 119.977 121.223 0.062 0.000 1.976 222 L HA -0.159 4.180 4.340 -0.001 0.000 0.209 222 L C 2.408 179.342 176.870 0.107 0.000 1.071 222 L CA 1.462 56.398 54.840 0.160 0.000 0.746 222 L CB -1.442 40.769 42.059 0.254 0.000 0.890 222 L HN -0.149 nan 8.230 nan 0.000 0.432 223 V N -0.146 119.814 119.914 0.076 0.000 2.332 223 V HA -0.346 3.774 4.120 -0.001 0.000 0.248 223 V C 2.533 178.611 176.094 -0.026 0.000 1.055 223 V CA 2.077 64.388 62.300 0.019 0.000 1.038 223 V CB -0.442 31.416 31.823 0.058 0.000 0.651 223 V HN 0.406 nan 8.190 nan 0.000 0.450 224 M N -0.139 119.462 119.600 0.002 0.000 2.175 224 M HA -0.064 4.415 4.480 -0.001 0.000 0.264 224 M C 2.290 178.520 176.300 -0.116 0.000 1.063 224 M CA 1.926 57.194 55.300 -0.053 0.000 1.119 224 M CB -0.858 31.756 32.600 0.023 0.000 1.377 224 M HN 0.496 nan 8.290 nan 0.000 0.415 225 G N 0.619 109.383 108.800 -0.059 0.000 2.418 225 G HA2 -0.165 3.794 3.960 -0.001 0.000 0.217 225 G HA3 -0.165 3.794 3.960 -0.001 0.000 0.217 225 G C 1.514 176.351 174.900 -0.106 0.000 1.158 225 G CA 0.567 45.630 45.100 -0.062 0.000 0.771 225 G HN 0.328 nan 8.290 nan 0.000 0.545 226 L N -0.018 121.131 121.223 -0.124 0.000 2.056 226 L HA 0.022 4.361 4.340 -0.001 0.000 0.207 226 L C 2.859 179.602 176.870 -0.211 0.000 1.078 226 L CA 0.603 55.330 54.840 -0.189 0.000 0.749 226 L CB -0.341 41.564 42.059 -0.257 0.000 0.901 226 L HN 0.188 nan 8.230 nan 0.000 0.433 227 I N -0.133 120.287 120.570 -0.251 0.000 2.163 227 I HA -0.267 3.902 4.170 -0.001 0.000 0.243 227 I C 2.524 178.288 176.117 -0.588 0.000 1.085 227 I CA 1.679 62.757 61.300 -0.370 0.000 1.347 227 I CB -0.348 37.410 38.000 -0.404 0.000 1.044 227 I HN 0.194 nan 8.210 nan 0.000 0.408 228 V N -1.364 118.170 119.914 -0.634 0.000 2.515 228 V HA -0.145 3.974 4.120 -0.001 0.000 0.250 228 V C 2.145 178.094 176.094 -0.242 0.000 1.058 228 V CA 1.841 63.762 62.300 -0.632 0.000 1.064 228 V CB -1.046 30.523 31.823 -0.424 0.000 0.675 228 V HN 0.527 nan 8.190 nan 0.000 0.461 229 S N -0.466 115.130 115.700 -0.173 0.000 2.605 229 S HA 0.159 4.628 4.470 -0.001 0.000 0.217 229 S C 0.601 175.158 174.600 -0.071 0.000 0.958 229 S CA 0.272 58.423 58.200 -0.082 0.000 0.919 229 S CB -0.838 62.323 63.200 -0.064 0.000 0.780 229 S HN 0.768 nan 8.310 nan 0.000 0.507 230 E N 0.199 120.339 120.200 -0.100 0.000 2.210 230 E HA -0.231 4.118 4.350 -0.001 0.000 0.201 230 E C 0.246 176.806 176.600 -0.066 0.000 1.339 230 E CA 0.449 56.813 56.400 -0.060 0.000 0.699 230 E CB -1.688 28.018 29.700 0.010 0.000 1.126 230 E HN 0.771 nan 8.360 nan 0.000 0.355 231 A N 0.286 123.043 122.820 -0.105 0.000 2.592 231 A HA 0.244 4.563 4.320 -0.001 0.000 0.290 231 A C 1.102 178.592 177.584 -0.158 0.000 0.998 231 A CA -0.081 51.889 52.037 -0.113 0.000 0.983 231 A CB 0.330 19.263 19.000 -0.113 0.000 1.240 231 A HN 0.217 nan 8.150 nan 0.000 0.535 232 L N 1.346 122.480 121.223 -0.148 0.000 2.013 232 L HA -0.022 4.317 4.340 -0.001 0.000 0.212 232 L C -0.603 176.184 176.870 -0.139 0.000 1.073 232 L CA 3.096 57.840 54.840 -0.160 0.000 0.753 232 L CB -0.739 41.252 42.059 -0.113 0.000 0.890 232 L HN 0.314 nan 8.230 nan 0.000 0.432 233 P HA -0.054 nan 4.420 nan 0.000 0.242 233 P C 0.997 178.250 177.300 -0.078 0.000 1.197 233 P CA 1.312 64.369 63.100 -0.072 0.000 0.765 233 P CB -0.466 31.207 31.700 -0.044 0.000 0.936 234 T N -3.466 111.024 114.554 -0.107 0.000 3.129 234 T HA 0.154 4.503 4.350 -0.001 0.000 0.251 234 T C 0.649 175.286 174.700 -0.104 0.000 1.117 234 T CA -0.077 61.968 62.100 -0.093 0.000 1.034 234 T CB -0.398 68.417 68.868 -0.089 0.000 0.968 234 T HN -0.176 nan 8.240 nan 0.000 0.526 235 V N 1.730 121.553 119.914 -0.150 0.000 2.815 235 V HA 0.402 4.521 4.120 -0.001 0.000 0.314 235 V C -0.365 175.693 176.094 -0.059 0.000 1.064 235 V CA -1.266 60.954 62.300 -0.133 0.000 0.952 235 V CB 1.850 33.460 31.823 -0.354 0.000 1.020 235 V HN 0.297 nan 8.190 nan 0.000 0.439 236 D N 3.071 123.471 120.400 -0.001 0.000 2.359 236 D HA 0.069 4.708 4.640 -0.001 0.000 0.250 236 D C 0.782 177.093 176.300 0.018 0.000 1.264 236 D CA -0.229 53.775 54.000 0.007 0.000 0.911 236 D CB 1.232 42.041 40.800 0.016 0.000 1.056 236 D HN 0.486 nan 8.370 nan 0.000 0.499 237 M N 3.681 123.282 119.600 0.002 0.000 2.213 237 M HA 0.017 4.496 4.480 -0.001 0.000 0.263 237 M C 1.842 178.157 176.300 0.025 0.000 1.062 237 M CA 1.490 56.799 55.300 0.015 0.000 1.105 237 M CB -0.500 32.105 32.600 0.008 0.000 1.385 237 M HN 0.424 nan 8.290 nan 0.000 0.417 238 G N -1.156 107.653 108.800 0.016 0.000 2.418 238 G HA2 -0.145 3.814 3.960 -0.001 0.000 0.217 238 G HA3 -0.145 3.814 3.960 -0.001 0.000 0.217 238 G C 1.422 176.323 174.900 0.001 0.000 1.158 238 G CA 1.114 46.220 45.100 0.010 0.000 0.771 238 G HN 0.398 nan 8.290 nan 0.000 0.545 239 V N 0.813 120.729 119.914 0.003 0.000 2.379 239 V HA -0.136 3.983 4.120 -0.001 0.000 0.245 239 V C 3.145 179.238 176.094 -0.001 0.000 1.044 239 V CA 2.242 64.537 62.300 -0.010 0.000 1.036 239 V CB -0.770 31.049 31.823 -0.006 0.000 0.664 239 V HN 0.373 nan 8.190 nan 0.000 0.453 240 T N -0.299 114.287 114.554 0.052 0.000 2.746 240 T HA -0.205 4.144 4.350 -0.001 0.000 0.267 240 T C 1.796 176.516 174.700 0.033 0.000 1.039 240 T CA 1.666 63.825 62.100 0.098 0.000 1.142 240 T CB -0.217 68.776 68.868 0.208 0.000 0.866 240 T HN 0.582 nan 8.240 nan 0.000 0.444 241 E N 0.611 120.819 120.200 0.013 0.000 2.106 241 E HA -0.137 4.213 4.350 -0.001 0.000 0.192 241 E C 2.301 178.852 176.600 -0.081 0.000 0.984 241 E CA 0.812 57.194 56.400 -0.030 0.000 0.806 241 E CB -0.086 29.612 29.700 -0.004 0.000 0.750 241 E HN 0.586 nan 8.360 nan 0.000 0.458 242 E N 1.018 121.178 120.200 -0.067 0.000 2.077 242 E HA -0.185 4.165 4.350 -0.001 0.000 0.193 242 E C 2.183 178.705 176.600 -0.129 0.000 0.989 242 E CA 0.640 56.984 56.400 -0.092 0.000 0.800 242 E CB 0.027 29.681 29.700 -0.077 0.000 0.746 242 E HN 0.179 nan 8.360 nan 0.000 0.452 243 L N 0.195 121.343 121.223 -0.125 0.000 2.017 243 L HA -0.178 4.162 4.340 -0.001 0.000 0.208 243 L C 2.573 179.344 176.870 -0.166 0.000 1.073 243 L CA 1.176 55.914 54.840 -0.171 0.000 0.745 243 L CB -0.365 41.600 42.059 -0.157 0.000 0.894 243 L HN 0.245 nan 8.230 nan 0.000 0.432 244 A N -0.624 122.131 122.820 -0.108 0.000 1.902 244 A HA -0.239 4.081 4.320 -0.001 0.000 0.217 244 A C 2.228 179.699 177.584 -0.189 0.000 1.181 244 A CA 1.646 53.633 52.037 -0.082 0.000 0.623 244 A CB -0.362 18.612 19.000 -0.043 0.000 0.818 244 A HN 0.316 nan 8.150 nan 0.000 0.443 245 M N -1.136 118.329 119.600 -0.226 0.000 2.132 245 M HA -0.070 4.409 4.480 -0.001 0.000 0.263 245 M C 2.201 178.389 176.300 -0.187 0.000 1.065 245 M CA 1.247 56.395 55.300 -0.254 0.000 1.122 245 M CB -1.449 31.003 32.600 -0.247 0.000 1.365 245 M HN 0.469 nan 8.290 nan 0.000 0.411 246 L N 0.597 121.714 121.223 -0.177 0.000 2.005 246 L HA -0.115 4.224 4.340 -0.001 0.000 0.207 246 L C 2.333 179.109 176.870 -0.156 0.000 1.072 246 L CA 1.768 56.518 54.840 -0.150 0.000 0.744 246 L CB -0.565 41.372 42.059 -0.204 0.000 0.895 246 L HN 0.206 nan 8.230 nan 0.000 0.433 247 M N -0.923 118.514 119.600 -0.272 0.000 2.159 247 M HA -0.132 4.347 4.480 -0.001 0.000 0.263 247 M C 2.120 178.101 176.300 -0.531 0.000 1.063 247 M CA 1.627 56.730 55.300 -0.328 0.000 1.110 247 M CB -1.046 31.260 32.600 -0.489 0.000 1.374 247 M HN 0.517 nan 8.290 nan 0.000 0.411 248 G N -0.109 108.351 108.800 -0.568 0.000 2.404 248 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.215 248 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.215 248 G C 1.323 176.227 174.900 0.008 0.000 1.174 248 G CA 0.866 45.783 45.100 -0.305 0.000 0.780 248 G HN 0.526 nan 8.290 nan 0.000 0.537 249 E N -0.527 119.684 120.200 0.018 0.000 2.038 249 E HA -0.255 4.095 4.350 -0.001 0.000 0.195 249 E C 2.105 178.859 176.600 0.255 0.000 1.000 249 E CA 1.253 57.724 56.400 0.120 0.000 0.803 249 E CB -0.381 29.407 29.700 0.146 0.000 0.750 249 E HN 0.458 nan 8.360 nan 0.000 0.448 250 Y N 0.409 120.812 120.300 0.171 0.000 2.114 250 Y HA -0.308 4.242 4.550 -0.001 0.000 0.282 250 Y C 2.015 178.041 175.900 0.210 0.000 1.165 250 Y CA 2.186 60.431 58.100 0.241 0.000 1.148 250 Y CB -0.777 37.775 38.460 0.153 0.000 0.972 250 Y HN 0.210 nan 8.280 nan 0.000 0.504 251 F N 1.008 120.953 119.950 -0.009 0.000 2.126 251 F HA -0.247 4.280 4.527 -0.001 0.000 0.299 251 F C 2.435 178.205 175.800 -0.049 0.000 1.096 251 F CA 2.258 60.219 58.000 -0.065 0.000 1.255 251 F CB -0.604 38.464 39.000 0.113 0.000 0.997 251 F HN 0.195 nan 8.300 nan 0.000 0.479 252 Q N 0.173 120.022 119.800 0.083 0.000 2.172 252 Q HA -0.077 4.263 4.340 -0.001 0.000 0.200 252 Q C 2.072 178.077 176.000 0.010 0.000 0.964 252 Q CA 1.655 57.477 55.803 0.032 0.000 0.855 252 Q CB -0.559 28.252 28.738 0.121 0.000 0.918 252 Q HN 0.344 nan 8.270 nan 0.000 0.444 253 V N 0.643 120.564 119.914 0.012 0.000 2.407 253 V HA -0.283 3.837 4.120 -0.001 0.000 0.248 253 V C 2.165 178.121 176.094 -0.230 0.000 1.055 253 V CA 2.081 64.324 62.300 -0.094 0.000 1.049 253 V CB -0.509 31.132 31.823 -0.303 0.000 0.662 253 V HN 0.453 nan 8.190 nan 0.000 0.455 254 Q N -0.407 119.196 119.800 -0.327 0.000 2.084 254 Q HA -0.266 4.074 4.340 -0.001 0.000 0.202 254 Q C 2.098 177.894 176.000 -0.340 0.000 0.978 254 Q CA 1.966 57.531 55.803 -0.397 0.000 0.844 254 Q CB -0.284 28.150 28.738 -0.507 0.000 0.898 254 Q HN 0.687 nan 8.270 nan 0.000 0.426 255 D N 0.630 120.815 120.400 -0.359 0.000 2.123 255 D HA -0.184 4.456 4.640 -0.001 0.000 0.196 255 D C 1.245 177.472 176.300 -0.121 0.000 0.992 255 D CA 1.381 55.225 54.000 -0.261 0.000 0.833 255 D CB 0.050 40.703 40.800 -0.244 0.000 0.954 255 D HN 0.122 nan 8.370 nan 0.000 0.455 256 D N -0.609 119.756 120.400 -0.058 0.000 2.097 256 D HA -0.096 4.543 4.640 -0.001 0.000 0.197 256 D C 2.306 178.589 176.300 -0.029 0.000 0.984 256 D CA 0.615 54.623 54.000 0.015 0.000 0.826 256 D CB -0.403 40.469 40.800 0.120 0.000 0.973 256 D HN 0.151 nan 8.370 nan 0.000 0.460 257 V N 0.978 120.841 119.914 -0.085 0.000 2.343 257 V HA -0.244 3.876 4.120 -0.001 0.000 0.247 257 V C 2.452 178.517 176.094 -0.048 0.000 1.051 257 V CA 1.405 63.659 62.300 -0.078 0.000 1.036 257 V CB -0.429 31.187 31.823 -0.345 0.000 0.654 257 V HN 0.208 nan 8.190 nan 0.000 0.451 258 M N -0.327 119.205 119.600 -0.113 0.000 2.229 258 M HA -0.171 4.308 4.480 -0.001 0.000 0.264 258 M C 1.992 178.253 176.300 -0.065 0.000 1.063 258 M CA 1.979 57.231 55.300 -0.081 0.000 1.114 258 M CB -0.585 31.944 32.600 -0.118 0.000 1.387 258 M HN 0.341 nan 8.290 nan 0.000 0.420 259 D N -0.290 120.067 120.400 -0.071 0.000 2.123 259 D HA -0.204 4.435 4.640 -0.001 0.000 0.196 259 D C 2.068 178.305 176.300 -0.105 0.000 0.992 259 D CA 1.328 55.292 54.000 -0.060 0.000 0.833 259 D CB 0.098 40.880 40.800 -0.030 0.000 0.954 259 D HN 0.428 nan 8.370 nan 0.000 0.455 260 C N -1.295 117.894 119.300 -0.185 0.000 2.507 260 C HA 0.166 4.625 4.460 -0.001 0.000 0.280 260 C C 1.844 176.502 174.990 -0.554 0.000 1.345 260 C CA -0.012 58.757 59.018 -0.416 0.000 1.736 260 C CB -1.220 26.149 27.740 -0.618 0.000 2.060 260 C HN 0.310 nan 8.230 nan 0.000 0.498 261 F N 0.786 120.728 119.950 -0.013 0.000 2.704 261 F HA 0.287 4.814 4.527 -0.001 0.000 0.304 261 F C 1.049 176.826 175.800 -0.039 0.000 1.094 261 F CA 0.137 58.124 58.000 -0.023 0.000 1.275 261 F CB -0.376 38.602 39.000 -0.036 0.000 1.073 261 F HN -0.040 nan 8.300 nan 0.000 0.586 262 T N 3.009 117.610 114.554 0.078 0.000 2.767 262 T HA 0.323 4.673 4.350 -0.001 0.000 0.288 262 T C -2.451 172.259 174.700 0.016 0.000 0.963 262 T CA -1.441 60.679 62.100 0.033 0.000 1.019 262 T CB 1.280 70.143 68.868 -0.008 0.000 0.923 262 T HN -0.273 nan 8.240 nan 0.000 0.468 263 P HA 0.178 nan 4.420 nan 0.000 0.268 263 P C -1.913 175.386 177.300 -0.001 0.000 1.204 263 P CA -1.334 61.771 63.100 0.009 0.000 0.768 263 P CB 0.251 31.958 31.700 0.011 0.000 0.842 264 P HA -0.258 nan 4.420 nan 0.000 0.217 264 P C 1.589 178.888 177.300 -0.002 0.000 1.148 264 P CA 2.114 65.211 63.100 -0.004 0.000 0.834 264 P CB -0.272 31.425 31.700 -0.006 0.000 0.783 265 E N 0.398 120.597 120.200 -0.001 0.000 2.097 265 E HA -0.285 4.065 4.350 -0.001 0.000 0.196 265 E C 2.107 178.708 176.600 0.000 0.000 1.000 265 E CA 1.934 58.334 56.400 0.000 0.000 0.804 265 E CB -1.256 28.444 29.700 0.000 0.000 0.740 265 E HN 0.288 nan 8.360 nan 0.000 0.454 266 R N -1.121 119.378 120.500 -0.002 0.000 2.112 266 R HA 0.113 4.452 4.340 -0.001 0.000 0.216 266 R C 2.421 178.717 176.300 -0.007 0.000 1.080 266 R CA 0.937 57.034 56.100 -0.004 0.000 0.996 266 R CB -0.254 30.042 30.300 -0.007 0.000 0.902 266 R HN 0.369 nan 8.270 nan 0.000 0.449 267 L N 0.166 121.384 121.223 -0.009 0.000 2.056 267 L HA 0.113 4.452 4.340 -0.001 0.000 0.207 267 L C 1.382 178.250 176.870 -0.003 0.000 1.078 267 L CA 2.472 57.305 54.840 -0.012 0.000 0.749 267 L CB -0.388 41.662 42.059 -0.016 0.000 0.901 267 L HN 0.552 nan 8.230 nan 0.000 0.433 268 G N -1.029 107.772 108.800 0.003 0.000 2.175 268 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.244 268 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.244 268 G C 0.331 175.242 174.900 0.019 0.000 0.982 268 G CA 0.465 45.572 45.100 0.012 0.000 0.641 268 G HN 0.613 nan 8.290 nan 0.000 0.527 269 K N -0.747 119.662 120.400 0.015 0.000 2.527 269 K HA 0.754 5.074 4.320 -0.001 0.000 0.260 269 K C -0.835 175.773 176.600 0.012 0.000 0.937 269 K CA -1.095 55.206 56.287 0.024 0.000 0.826 269 K CB 2.588 35.110 32.500 0.036 0.000 1.359 269 K HN 0.172 nan 8.250 nan 0.000 0.434 270 V N 1.798 121.721 119.914 0.014 0.000 2.546 270 V HA 0.340 4.459 4.120 -0.001 0.000 0.284 270 V C 0.767 176.863 176.094 0.003 0.000 1.050 270 V CA -0.097 62.204 62.300 0.003 0.000 0.981 270 V CB 1.311 33.134 31.823 0.001 0.000 0.990 270 V HN 0.904 nan 8.190 nan 0.000 0.474 271 G N 2.471 111.262 108.800 -0.014 0.000 2.442 271 G HA2 0.428 4.387 3.960 -0.001 0.000 0.249 271 G HA3 0.428 4.387 3.960 -0.001 0.000 0.249 271 G C 0.663 175.553 174.900 -0.016 0.000 1.263 271 G CA 0.456 45.546 45.100 -0.017 0.000 0.846 271 G HN 0.926 nan 8.290 nan 0.000 0.555 272 T N -1.778 112.774 114.554 -0.003 0.000 3.087 272 T HA 0.137 4.486 4.350 -0.001 0.000 0.283 272 T C 0.925 175.615 174.700 -0.016 0.000 0.956 272 T CA 0.113 62.208 62.100 -0.008 0.000 0.894 272 T CB 0.434 69.315 68.868 0.021 0.000 1.160 272 T HN 0.277 nan 8.240 nan 0.000 0.532 273 D N 2.254 122.655 120.400 0.002 0.000 2.104 273 D HA -0.024 4.615 4.640 -0.001 0.000 0.194 273 D C 1.858 178.136 176.300 -0.037 0.000 0.994 273 D CA 1.161 55.181 54.000 0.035 0.000 0.830 273 D CB -0.145 40.707 40.800 0.086 0.000 0.959 273 D HN 0.454 nan 8.370 nan 0.000 0.452 274 I N 0.363 120.865 120.570 -0.114 0.000 2.202 274 I HA -0.272 3.897 4.170 -0.001 0.000 0.242 274 I C 2.271 178.081 176.117 -0.511 0.000 1.091 274 I CA 0.993 62.051 61.300 -0.403 0.000 1.368 274 I CB -0.210 37.645 38.000 -0.243 0.000 1.058 274 I HN -0.091 nan 8.210 nan 0.000 0.410 275 Q N 0.588 120.229 119.800 -0.264 0.000 2.170 275 Q HA -0.197 4.142 4.340 -0.001 0.000 0.203 275 Q C 1.366 177.266 176.000 -0.167 0.000 0.976 275 Q CA 1.309 56.991 55.803 -0.202 0.000 0.858 275 Q CB -0.198 28.473 28.738 -0.112 0.000 0.907 275 Q HN 0.403 nan 8.270 nan 0.000 0.433 276 D N -0.813 119.512 120.400 -0.125 0.000 2.340 276 D HA 0.208 4.848 4.640 -0.001 0.000 0.220 276 D C 0.040 176.319 176.300 -0.036 0.000 1.039 276 D CA 0.714 54.684 54.000 -0.051 0.000 0.866 276 D CB 0.125 40.930 40.800 0.009 0.000 0.913 276 D HN 0.207 nan 8.370 nan 0.000 0.523 277 A N 0.624 123.356 122.820 -0.146 0.000 2.822 277 A HA -0.245 4.075 4.320 -0.001 0.000 0.287 277 A C 0.412 178.285 177.584 0.482 0.000 1.479 277 A CA 0.619 52.705 52.037 0.081 0.000 0.779 277 A CB -1.660 17.426 19.000 0.144 0.000 1.022 277 A HN 0.051 nan 8.150 nan 0.000 0.532 278 K N -0.723 119.876 120.400 0.333 0.000 2.355 278 K HA 0.218 4.537 4.320 -0.001 0.000 0.270 278 K C 0.607 177.364 176.600 0.261 0.000 1.003 278 K CA 0.059 56.509 56.287 0.272 0.000 0.957 278 K CB 0.744 33.355 32.500 0.185 0.000 0.939 278 K HN 0.767 nan 8.250 nan 0.000 0.482 279 C N 3.940 123.176 119.300 -0.107 0.000 2.756 279 C HA 0.111 4.570 4.460 -0.001 0.000 0.504 279 C C 0.932 175.916 174.990 -0.009 0.000 1.028 279 C CA -0.375 58.331 59.018 -0.521 0.000 1.167 279 C CB -2.371 24.993 27.740 -0.628 0.000 1.444 279 C HN 0.686 nan 8.230 nan 0.000 0.577 280 S N 2.604 118.349 115.700 0.075 0.000 2.645 280 S HA 0.235 4.704 4.470 -0.001 0.000 0.266 280 S C 0.637 175.067 174.600 -0.283 0.000 1.258 280 S CA -0.557 57.704 58.200 0.102 0.000 0.990 280 S CB 0.440 63.729 63.200 0.148 0.000 0.967 280 S HN 0.880 nan 8.310 nan 0.000 0.556 281 W N 1.541 122.431 121.300 -0.683 0.000 2.342 281 W HA -0.061 4.599 4.660 -0.001 0.000 0.297 281 W C 1.588 177.792 176.519 -0.524 0.000 1.213 281 W CA 1.235 57.978 57.345 -1.005 0.000 1.251 281 W CB -0.502 28.558 29.460 -0.667 0.000 1.136 281 W HN 0.686 nan 8.180 nan 0.000 0.526 282 L N 0.369 121.409 121.223 -0.304 0.000 2.017 282 L HA -0.205 4.134 4.340 -0.001 0.000 0.208 282 L C 2.768 179.292 176.870 -0.578 0.000 1.073 282 L CA 1.506 55.983 54.840 -0.604 0.000 0.745 282 L CB -1.472 40.133 42.059 -0.756 0.000 0.894 282 L HN 0.093 nan 8.230 nan 0.000 0.432 283 A N 0.201 122.877 122.820 -0.240 0.000 1.858 283 A HA -0.185 4.134 4.320 -0.001 0.000 0.216 283 A C 2.349 179.841 177.584 -0.154 0.000 1.190 283 A CA 2.159 54.184 52.037 -0.021 0.000 0.617 283 A CB -1.044 18.099 19.000 0.239 0.000 0.827 283 A HN 0.320 nan 8.150 nan 0.000 0.443 284 V N -2.548 117.219 119.914 -0.245 0.000 2.343 284 V HA -0.176 3.943 4.120 -0.001 0.000 0.247 284 V C 2.167 178.034 176.094 -0.378 0.000 1.051 284 V CA 2.774 64.923 62.300 -0.252 0.000 1.036 284 V CB -1.829 29.829 31.823 -0.276 0.000 0.654 284 V HN 0.428 nan 8.190 nan 0.000 0.451 285 T N 0.508 114.684 114.554 -0.631 0.000 2.777 285 T HA -0.068 4.281 4.350 -0.001 0.000 0.266 285 T C 1.526 175.980 174.700 -0.410 0.000 1.040 285 T CA 2.009 63.704 62.100 -0.674 0.000 1.141 285 T CB -0.478 67.623 68.868 -1.278 0.000 0.868 285 T HN 0.606 nan 8.240 nan 0.000 0.444 286 F N 1.938 121.612 119.950 -0.460 0.000 2.075 286 F HA -0.003 4.524 4.527 -0.001 0.000 0.297 286 F C 1.907 177.511 175.800 -0.326 0.000 1.113 286 F CA 1.156 58.981 58.000 -0.292 0.000 1.218 286 F CB -0.586 38.340 39.000 -0.125 0.000 0.984 286 F HN 0.017 nan 8.300 nan 0.000 0.472 287 L N 0.102 121.061 121.223 -0.440 0.000 2.127 287 L HA -0.205 4.135 4.340 -0.001 0.000 0.211 287 L C 2.718 179.343 176.870 -0.407 0.000 1.089 287 L CA 1.111 55.635 54.840 -0.527 0.000 0.757 287 L CB -1.152 40.665 42.059 -0.403 0.000 0.899 287 L HN 0.303 nan 8.230 nan 0.000 0.434 288 A N 0.710 123.337 122.820 -0.321 0.000 2.015 288 A HA -0.177 4.142 4.320 -0.001 0.000 0.219 288 A C 2.284 179.721 177.584 -0.245 0.000 1.163 288 A CA 1.731 53.625 52.037 -0.238 0.000 0.646 288 A CB -0.236 18.647 19.000 -0.194 0.000 0.806 288 A HN 0.564 nan 8.150 nan 0.000 0.448 289 K N -1.406 118.804 120.400 -0.318 0.000 2.370 289 K HA 0.507 4.827 4.320 -0.001 0.000 0.194 289 K C 0.782 177.177 176.600 -0.341 0.000 1.070 289 K CA 0.475 56.598 56.287 -0.273 0.000 0.998 289 K CB -0.173 32.195 32.500 -0.219 0.000 0.911 289 K HN 0.202 nan 8.250 nan 0.000 0.533 290 A N 2.455 124.930 122.820 -0.574 0.000 2.520 290 A HA 0.183 4.503 4.320 -0.001 0.000 0.235 290 A C 0.536 177.913 177.584 -0.344 0.000 1.065 290 A CA 0.148 51.803 52.037 -0.636 0.000 0.764 290 A CB 0.112 18.383 19.000 -1.215 0.000 1.002 290 A HN 0.571 nan 8.150 nan 0.000 0.502 291 S N 1.698 117.261 115.700 -0.229 0.000 2.626 291 S HA 0.204 4.674 4.470 -0.001 0.000 0.257 291 S C 1.189 175.719 174.600 -0.117 0.000 1.288 291 S CA 0.191 58.311 58.200 -0.133 0.000 0.980 291 S CB 0.710 63.864 63.200 -0.077 0.000 0.975 291 S HN 0.699 nan 8.310 nan 0.000 0.577 292 S N 0.600 116.256 115.700 -0.073 0.000 2.402 292 S HA 0.004 4.474 4.470 -0.001 0.000 0.229 292 S C 2.198 176.783 174.600 -0.024 0.000 1.021 292 S CA 0.913 59.082 58.200 -0.051 0.000 0.974 292 S CB -1.016 62.163 63.200 -0.034 0.000 0.800 292 S HN 0.841 nan 8.310 nan 0.000 0.484 293 A N 1.443 124.254 122.820 -0.014 0.000 1.873 293 A HA -0.151 4.168 4.320 -0.001 0.000 0.215 293 A C 2.084 179.693 177.584 0.041 0.000 1.186 293 A CA 1.300 53.344 52.037 0.011 0.000 0.616 293 A CB -0.613 18.394 19.000 0.011 0.000 0.823 293 A HN 0.514 nan 8.150 nan 0.000 0.442 294 Q N -0.532 119.294 119.800 0.043 0.000 2.084 294 Q HA -0.112 4.227 4.340 -0.001 0.000 0.202 294 Q C 2.125 178.252 176.000 0.210 0.000 0.978 294 Q CA 1.596 57.491 55.803 0.153 0.000 0.844 294 Q CB -0.347 28.454 28.738 0.105 0.000 0.898 294 Q HN 0.477 nan 8.270 nan 0.000 0.426 295 V N 0.897 120.836 119.914 0.042 0.000 2.343 295 V HA -0.297 3.823 4.120 -0.001 0.000 0.247 295 V C 2.243 178.403 176.094 0.110 0.000 1.051 295 V CA 1.813 64.135 62.300 0.036 0.000 1.036 295 V CB -0.954 30.821 31.823 -0.079 0.000 0.654 295 V HN 0.417 nan 8.190 nan 0.000 0.451 296 A N -0.280 122.584 122.820 0.073 0.000 1.865 296 A HA -0.307 4.012 4.320 -0.001 0.000 0.217 296 A C 2.275 179.908 177.584 0.082 0.000 1.191 296 A CA 2.150 54.228 52.037 0.069 0.000 0.623 296 A CB -0.638 18.387 19.000 0.042 0.000 0.826 296 A HN 0.616 nan 8.150 nan 0.000 0.444 297 E N -1.530 118.721 120.200 0.085 0.000 2.160 297 E HA -0.207 4.143 4.350 -0.001 0.000 0.195 297 E C 1.684 178.310 176.600 0.043 0.000 0.991 297 E CA 1.240 57.673 56.400 0.055 0.000 0.810 297 E CB -0.242 29.490 29.700 0.054 0.000 0.742 297 E HN 0.632 nan 8.360 nan 0.000 0.466 298 F N 1.495 121.412 119.950 -0.055 0.000 2.060 298 F HA -0.116 4.411 4.527 -0.001 0.000 0.295 298 F C 1.974 177.678 175.800 -0.159 0.000 1.120 298 F CA 1.628 59.530 58.000 -0.164 0.000 1.205 298 F CB -0.027 38.899 39.000 -0.123 0.000 0.986 298 F HN -0.155 nan 8.300 nan 0.000 0.470 299 K N 0.179 120.646 120.400 0.112 0.000 2.218 299 K HA -0.158 4.162 4.320 -0.001 0.000 0.205 299 K C 2.024 178.656 176.600 0.053 0.000 1.046 299 K CA 1.154 57.505 56.287 0.107 0.000 0.933 299 K CB -0.481 32.136 32.500 0.195 0.000 0.728 299 K HN 0.386 nan 8.250 nan 0.000 0.454 300 A N 0.966 123.788 122.820 0.004 0.000 2.169 300 A HA -0.014 4.305 4.320 -0.001 0.000 0.212 300 A C 1.400 178.948 177.584 -0.059 0.000 1.153 300 A CA 0.806 52.836 52.037 -0.011 0.000 0.756 300 A CB 0.051 19.048 19.000 -0.006 0.000 0.813 300 A HN 0.225 nan 8.150 nan 0.000 0.471 301 N N -2.420 116.201 118.700 -0.132 0.000 2.239 301 N HA 0.091 4.830 4.740 -0.001 0.000 0.208 301 N C -0.616 174.765 175.510 -0.215 0.000 1.200 301 N CA -0.076 52.872 53.050 -0.170 0.000 0.895 301 N CB 0.317 38.685 38.487 -0.197 0.000 1.085 301 N HN 0.445 nan 8.380 nan 0.000 0.500 302 Y N 1.615 121.622 120.300 -0.488 0.000 2.346 302 Y HA 0.359 4.909 4.550 -0.001 0.000 0.330 302 Y C 1.430 177.235 175.900 -0.159 0.000 1.178 302 Y CA 1.012 58.815 58.100 -0.494 0.000 1.331 302 Y CB 0.668 38.540 38.460 -0.980 0.000 1.253 302 Y HN 0.354 nan 8.280 nan 0.000 0.529 303 G N 2.790 111.276 108.800 -0.524 0.000 2.149 303 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.235 303 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.235 303 G C -0.145 174.653 174.900 -0.170 0.000 1.018 303 G CA 0.332 45.261 45.100 -0.286 0.000 0.728 303 G HN 0.865 nan 8.290 nan 0.000 0.508 304 S N -1.429 114.161 115.700 -0.184 0.000 2.566 304 S HA 0.709 5.179 4.470 -0.001 0.000 0.298 304 S C 1.367 175.896 174.600 -0.118 0.000 1.083 304 S CA 0.638 58.767 58.200 -0.118 0.000 0.978 304 S CB 1.601 64.743 63.200 -0.097 0.000 1.073 304 S HN 1.279 nan 8.310 nan 0.000 0.491 305 G N 1.360 110.112 108.800 -0.081 0.000 2.880 305 G HA2 0.059 4.018 3.960 -0.001 0.000 0.209 305 G HA3 0.059 4.018 3.960 -0.001 0.000 0.209 305 G C 0.311 175.172 174.900 -0.065 0.000 1.157 305 G CA -0.109 44.949 45.100 -0.069 0.000 0.779 305 G HN 0.756 nan 8.290 nan 0.000 0.539 306 D N 0.895 121.255 120.400 -0.068 0.000 2.412 306 D HA 0.065 4.705 4.640 -0.001 0.000 0.257 306 D C 1.367 177.626 176.300 -0.069 0.000 1.217 306 D CA 0.059 54.023 54.000 -0.061 0.000 0.897 306 D CB 0.989 41.753 40.800 -0.059 0.000 1.132 306 D HN 0.005 nan 8.370 nan 0.000 0.493 307 S N 3.204 118.869 115.700 -0.057 0.000 2.440 307 S HA -0.213 4.257 4.470 -0.001 0.000 0.238 307 S C 1.453 176.016 174.600 -0.062 0.000 1.010 307 S CA 1.093 59.258 58.200 -0.058 0.000 0.972 307 S CB 0.061 63.235 63.200 -0.044 0.000 0.774 307 S HN 0.605 nan 8.310 nan 0.000 0.501 308 E N 1.315 121.479 120.200 -0.059 0.000 2.276 308 E HA 0.087 4.437 4.350 -0.001 0.000 0.193 308 E C 1.717 178.270 176.600 -0.078 0.000 0.983 308 E CA 0.864 57.228 56.400 -0.059 0.000 0.861 308 E CB -0.016 29.656 29.700 -0.046 0.000 0.817 308 E HN 0.326 nan 8.360 nan 0.000 0.485 309 K N 0.008 120.355 120.400 -0.089 0.000 2.155 309 K HA -0.051 4.269 4.320 -0.001 0.000 0.203 309 K C 2.052 178.560 176.600 -0.153 0.000 1.052 309 K CA 1.283 57.502 56.287 -0.114 0.000 0.948 309 K CB -0.002 32.432 32.500 -0.110 0.000 0.728 309 K HN 0.221 nan 8.250 nan 0.000 0.448 310 V N -1.605 118.222 119.914 -0.143 0.000 2.788 310 V HA 0.061 4.181 4.120 -0.001 0.000 0.251 310 V C 2.062 178.063 176.094 -0.155 0.000 1.068 310 V CA 1.457 63.657 62.300 -0.167 0.000 1.090 310 V CB -0.244 31.492 31.823 -0.145 0.000 0.710 310 V HN 0.139 nan 8.190 nan 0.000 0.467 311 A N 0.624 123.375 122.820 -0.116 0.000 2.014 311 A HA -0.051 4.269 4.320 -0.001 0.000 0.218 311 A C 2.256 179.778 177.584 -0.104 0.000 1.163 311 A CA 2.090 54.072 52.037 -0.091 0.000 0.652 311 A CB -1.006 17.959 19.000 -0.059 0.000 0.808 311 A HN 0.564 nan 8.150 nan 0.000 0.449 312 T N -0.578 113.899 114.554 -0.129 0.000 2.904 312 T HA -0.052 4.297 4.350 -0.001 0.000 0.267 312 T C 1.806 176.367 174.700 -0.232 0.000 1.059 312 T CA 1.371 63.387 62.100 -0.140 0.000 1.137 312 T CB -0.186 68.606 68.868 -0.127 0.000 0.879 312 T HN 0.153 nan 8.240 nan 0.000 0.467 313 V N 1.316 121.040 119.914 -0.318 0.000 2.515 313 V HA -0.086 4.033 4.120 -0.001 0.000 0.250 313 V C 2.629 178.313 176.094 -0.684 0.000 1.058 313 V CA 1.402 63.366 62.300 -0.559 0.000 1.064 313 V CB -0.514 31.017 31.823 -0.487 0.000 0.675 313 V HN 0.343 nan 8.190 nan 0.000 0.461 314 R N -0.228 120.072 120.500 -0.333 0.000 2.066 314 R HA -0.118 4.222 4.340 -0.001 0.000 0.232 314 R C 2.569 178.899 176.300 0.050 0.000 1.131 314 R CA 1.577 57.614 56.100 -0.105 0.000 0.955 314 R CB -0.304 29.971 30.300 -0.042 0.000 0.851 314 R HN 0.396 nan 8.270 nan 0.000 0.432 315 R N 0.927 121.414 120.500 -0.022 0.000 2.096 315 R HA -0.094 4.246 4.340 -0.001 0.000 0.235 315 R C 2.233 178.537 176.300 0.007 0.000 1.127 315 R CA 1.124 57.237 56.100 0.022 0.000 0.968 315 R CB -0.223 30.073 30.300 -0.007 0.000 0.861 315 R HN 0.187 nan 8.270 nan 0.000 0.440 316 L N -0.140 121.009 121.223 -0.124 0.000 2.042 316 L HA -0.224 4.115 4.340 -0.001 0.000 0.210 316 L C 2.279 179.144 176.870 -0.009 0.000 1.076 316 L CA 1.248 56.005 54.840 -0.138 0.000 0.749 316 L CB -0.596 41.200 42.059 -0.439 0.000 0.893 316 L HN 0.239 nan 8.230 nan 0.000 0.432 317 Y N 0.625 120.888 120.300 -0.062 0.000 2.181 317 Y HA -0.217 4.332 4.550 -0.001 0.000 0.288 317 Y C 2.605 178.598 175.900 0.156 0.000 1.146 317 Y CA 0.843 58.994 58.100 0.086 0.000 1.164 317 Y CB -0.725 37.880 38.460 0.242 0.000 0.982 317 Y HN 0.312 nan 8.280 nan 0.000 0.515 318 E N -0.069 120.309 120.200 0.296 0.000 2.072 318 E HA -0.175 4.174 4.350 -0.001 0.000 0.191 318 E C 1.911 178.580 176.600 0.115 0.000 0.985 318 E CA 1.182 57.663 56.400 0.135 0.000 0.801 318 E CB -0.246 29.508 29.700 0.090 0.000 0.750 318 E HN 0.598 nan 8.360 nan 0.000 0.452 319 E N 0.969 121.248 120.200 0.132 0.000 2.110 319 E HA -0.139 4.211 4.350 -0.001 0.000 0.193 319 E C 1.710 178.392 176.600 0.136 0.000 0.988 319 E CA 0.978 57.447 56.400 0.116 0.000 0.804 319 E CB -0.088 29.682 29.700 0.117 0.000 0.745 319 E HN 0.180 nan 8.360 nan 0.000 0.458 320 A N 1.565 124.514 122.820 0.215 0.000 2.276 320 A HA -0.022 4.298 4.320 -0.001 0.000 0.212 320 A C 0.234 177.897 177.584 0.131 0.000 1.230 320 A CA 0.383 52.534 52.037 0.190 0.000 0.844 320 A CB -0.221 18.976 19.000 0.328 0.000 0.860 320 A HN 0.238 nan 8.150 nan 0.000 0.486 321 D N -1.063 119.404 120.400 0.113 0.000 2.735 321 D HA -0.183 4.456 4.640 -0.001 0.000 0.235 321 D C 0.478 176.839 176.300 0.102 0.000 1.175 321 D CA 0.641 54.690 54.000 0.081 0.000 0.683 321 D CB -1.563 39.273 40.800 0.060 0.000 1.008 321 D HN 0.480 nan 8.370 nan 0.000 0.416 322 L N -0.039 121.259 121.223 0.125 0.000 2.376 322 L HA -0.131 4.209 4.340 -0.001 0.000 0.219 322 L C 2.507 179.523 176.870 0.244 0.000 1.133 322 L CA 1.307 56.242 54.840 0.159 0.000 0.816 322 L CB -0.256 41.882 42.059 0.132 0.000 0.933 322 L HN 0.435 nan 8.230 nan 0.000 0.449 323 Q N 0.328 120.203 119.800 0.126 0.000 2.123 323 Q HA -0.126 4.214 4.340 -0.001 0.000 0.199 323 Q C 2.135 178.250 176.000 0.191 0.000 0.966 323 Q CA 1.523 57.405 55.803 0.131 0.000 0.845 323 Q CB -0.127 28.607 28.738 -0.006 0.000 0.907 323 Q HN 0.424 nan 8.270 nan 0.000 0.439 324 G N 0.543 109.427 108.800 0.140 0.000 2.422 324 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.218 324 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.218 324 G C 0.988 175.992 174.900 0.174 0.000 1.140 324 G CA 0.911 46.086 45.100 0.124 0.000 0.775 324 G HN 0.361 nan 8.290 nan 0.000 0.545 325 D N -0.645 119.898 120.400 0.240 0.000 2.149 325 D HA -0.078 4.562 4.640 -0.001 0.000 0.201 325 D C 1.902 178.486 176.300 0.473 0.000 0.972 325 D CA 0.550 54.742 54.000 0.319 0.000 0.835 325 D CB -0.226 40.743 40.800 0.282 0.000 0.966 325 D HN 0.359 nan 8.370 nan 0.000 0.476 326 Y N 1.852 122.385 120.300 0.389 0.000 2.181 326 Y HA -0.203 4.347 4.550 -0.001 0.000 0.288 326 Y C 2.194 178.187 175.900 0.155 0.000 1.146 326 Y CA 1.016 59.224 58.100 0.180 0.000 1.164 326 Y CB -0.400 38.079 38.460 0.031 0.000 0.982 326 Y HN -0.238 nan 8.280 nan 0.000 0.515 327 V N 0.546 120.495 119.914 0.058 0.000 2.287 327 V HA -0.361 3.759 4.120 -0.001 0.000 0.248 327 V C 2.700 178.765 176.094 -0.049 0.000 1.053 327 V CA 1.987 64.259 62.300 -0.046 0.000 1.027 327 V CB -1.653 30.200 31.823 0.050 0.000 0.646 327 V HN 0.565 nan 8.190 nan 0.000 0.447 328 A N -0.926 121.922 122.820 0.046 0.000 1.902 328 A HA -0.276 4.043 4.320 -0.001 0.000 0.217 328 A C 2.175 179.795 177.584 0.059 0.000 1.181 328 A CA 2.165 54.237 52.037 0.058 0.000 0.623 328 A CB -0.782 18.280 19.000 0.103 0.000 0.818 328 A HN 0.668 nan 8.150 nan 0.000 0.443 329 Y N 0.586 120.871 120.300 -0.024 0.000 2.145 329 Y HA -0.200 4.349 4.550 -0.001 0.000 0.286 329 Y C 2.268 178.106 175.900 -0.103 0.000 1.145 329 Y CA 2.182 60.266 58.100 -0.025 0.000 1.148 329 Y CB -0.546 37.913 38.460 -0.003 0.000 0.981 329 Y HN 0.511 nan 8.280 nan 0.000 0.507 330 E N 0.011 119.996 120.200 -0.358 0.000 2.085 330 E HA -0.252 4.098 4.350 -0.001 0.000 0.194 330 E C 2.253 178.725 176.600 -0.213 0.000 0.994 330 E CA 1.346 57.538 56.400 -0.346 0.000 0.801 330 E CB -0.370 29.126 29.700 -0.340 0.000 0.743 330 E HN 0.578 nan 8.360 nan 0.000 0.453 331 A N 0.983 123.724 122.820 -0.131 0.000 1.898 331 A HA -0.054 4.265 4.320 -0.001 0.000 0.216 331 A C 2.388 179.893 177.584 -0.132 0.000 1.181 331 A CA 1.677 53.671 52.037 -0.072 0.000 0.620 331 A CB -0.744 18.235 19.000 -0.035 0.000 0.819 331 A HN 0.417 nan 8.150 nan 0.000 0.442 332 A N -0.509 122.216 122.820 -0.158 0.000 1.902 332 A HA -0.000 4.319 4.320 -0.001 0.000 0.217 332 A C 2.235 179.668 177.584 -0.253 0.000 1.181 332 A CA 1.825 53.766 52.037 -0.160 0.000 0.623 332 A CB -0.896 18.047 19.000 -0.095 0.000 0.818 332 A HN 0.369 nan 8.150 nan 0.000 0.443 333 V N -0.145 119.528 119.914 -0.402 0.000 2.270 333 V HA -0.236 3.883 4.120 -0.001 0.000 0.245 333 V C 3.083 178.909 176.094 -0.446 0.000 1.043 333 V CA 1.910 63.926 62.300 -0.473 0.000 1.014 333 V CB -1.346 30.068 31.823 -0.681 0.000 0.645 333 V HN 0.615 nan 8.190 nan 0.000 0.447 334 A N -0.035 122.591 122.820 -0.324 0.000 1.917 334 A HA -0.337 3.982 4.320 -0.001 0.000 0.219 334 A C 2.190 179.567 177.584 -0.346 0.000 1.182 334 A CA 2.431 54.296 52.037 -0.286 0.000 0.633 334 A CB -0.606 18.299 19.000 -0.159 0.000 0.819 334 A HN 0.629 nan 8.150 nan 0.000 0.448 335 E N -0.169 119.877 120.200 -0.257 0.000 2.058 335 E HA -0.243 4.106 4.350 -0.001 0.000 0.194 335 E C 2.172 178.622 176.600 -0.249 0.000 0.997 335 E CA 1.975 58.246 56.400 -0.215 0.000 0.801 335 E CB -0.265 29.343 29.700 -0.154 0.000 0.746 335 E HN 0.757 nan 8.360 nan 0.000 0.450 336 Q N -0.515 119.119 119.800 -0.277 0.000 2.079 336 Q HA -0.094 4.246 4.340 -0.001 0.000 0.200 336 Q C 2.352 178.140 176.000 -0.354 0.000 0.974 336 Q CA 1.456 57.098 55.803 -0.268 0.000 0.840 336 Q CB 0.013 28.605 28.738 -0.244 0.000 0.898 336 Q HN 0.188 nan 8.270 nan 0.000 0.430 337 V N 1.565 121.162 119.914 -0.528 0.000 2.252 337 V HA -0.307 3.812 4.120 -0.001 0.000 0.249 337 V C 2.212 177.975 176.094 -0.553 0.000 1.056 337 V CA 1.723 63.596 62.300 -0.710 0.000 1.022 337 V CB -0.510 30.481 31.823 -1.387 0.000 0.641 337 V HN 0.291 nan 8.190 nan 0.000 0.445 338 K N 0.057 120.167 120.400 -0.483 0.000 2.032 338 K HA -0.215 4.105 4.320 -0.001 0.000 0.209 338 K C 2.079 178.535 176.600 -0.240 0.000 1.048 338 K CA 1.795 57.886 56.287 -0.327 0.000 0.927 338 K CB -0.450 31.898 32.500 -0.253 0.000 0.712 338 K HN 0.606 nan 8.250 nan 0.000 0.441 339 E N 0.255 120.324 120.200 -0.219 0.000 2.150 339 E HA -0.120 4.229 4.350 -0.001 0.000 0.193 339 E C 1.859 178.365 176.600 -0.157 0.000 0.985 339 E CA 0.429 56.732 56.400 -0.162 0.000 0.814 339 E CB 0.044 29.659 29.700 -0.141 0.000 0.752 339 E HN -0.000 nan 8.360 nan 0.000 0.466 340 L N 0.545 121.651 121.223 -0.196 0.000 2.109 340 L HA -0.075 4.264 4.340 -0.001 0.000 0.207 340 L C 2.069 178.842 176.870 -0.162 0.000 1.086 340 L CA 1.354 56.091 54.840 -0.171 0.000 0.760 340 L CB -0.528 41.409 42.059 -0.203 0.000 0.910 340 L HN 0.196 nan 8.230 nan 0.000 0.437 341 I N -0.758 119.688 120.570 -0.207 0.000 2.361 341 I HA -0.227 3.943 4.170 -0.001 0.000 0.251 341 I C 2.271 178.312 176.117 -0.127 0.000 1.133 341 I CA 0.718 61.907 61.300 -0.184 0.000 1.413 341 I CB -0.124 37.742 38.000 -0.223 0.000 1.073 341 I HN 0.266 nan 8.210 nan 0.000 0.424 342 E N 1.145 121.273 120.200 -0.120 0.000 2.106 342 E HA -0.170 4.179 4.350 -0.001 0.000 0.192 342 E C 2.101 178.662 176.600 -0.065 0.000 0.984 342 E CA 1.038 57.387 56.400 -0.086 0.000 0.806 342 E CB -0.122 29.527 29.700 -0.085 0.000 0.750 342 E HN 0.465 nan 8.360 nan 0.000 0.458 343 K N 0.460 120.819 120.400 -0.069 0.000 2.097 343 K HA -0.046 4.273 4.320 -0.001 0.000 0.206 343 K C 2.331 178.914 176.600 -0.029 0.000 1.049 343 K CA 0.676 56.934 56.287 -0.048 0.000 0.933 343 K CB -0.079 32.389 32.500 -0.053 0.000 0.717 343 K HN 0.066 nan 8.250 nan 0.000 0.442 344 L N 0.432 121.636 121.223 -0.032 0.000 2.005 344 L HA -0.153 4.186 4.340 -0.001 0.000 0.207 344 L C 2.679 179.559 176.870 0.017 0.000 1.072 344 L CA 1.120 55.966 54.840 0.010 0.000 0.744 344 L CB -0.330 41.729 42.059 -0.001 0.000 0.895 344 L HN 0.192 nan 8.230 nan 0.000 0.433 345 R N 0.369 120.860 120.500 -0.014 0.000 2.170 345 R HA -0.201 4.138 4.340 -0.001 0.000 0.242 345 R C 2.219 178.517 176.300 -0.003 0.000 1.145 345 R CA 1.251 57.345 56.100 -0.010 0.000 0.984 345 R CB -0.237 30.043 30.300 -0.033 0.000 0.869 345 R HN 0.371 nan 8.270 nan 0.000 0.455 346 L N -0.932 120.286 121.223 -0.008 0.000 2.131 346 L HA -0.230 4.110 4.340 -0.001 0.000 0.210 346 L C 2.166 179.037 176.870 0.001 0.000 1.092 346 L CA 1.028 55.864 54.840 -0.007 0.000 0.759 346 L CB -0.147 41.905 42.059 -0.013 0.000 0.903 346 L HN 0.342 nan 8.230 nan 0.000 0.435 347 C N -2.339 116.967 119.300 0.010 0.000 3.097 347 C HA 0.185 4.644 4.460 -0.001 0.000 0.335 347 C C 1.205 176.209 174.990 0.024 0.000 1.283 347 C CA -0.304 58.721 59.018 0.012 0.000 1.778 347 C CB 0.230 27.975 27.740 0.009 0.000 2.365 347 C HN 0.290 nan 8.230 nan 0.000 0.627 348 S N 1.532 117.261 115.700 0.049 0.000 2.204 348 S HA 0.183 4.652 4.470 -0.001 0.000 0.147 348 S C -1.843 172.812 174.600 0.091 0.000 1.711 348 S CA -0.387 57.864 58.200 0.084 0.000 1.274 348 S CB 0.866 64.158 63.200 0.153 0.000 1.257 348 S HN 0.344 nan 8.310 nan 0.000 0.404 349 P HA -0.112 nan 4.420 nan 0.000 0.215 349 P C 1.702 179.025 177.300 0.039 0.000 1.153 349 P CA 1.362 64.480 63.100 0.029 0.000 0.853 349 P CB -0.085 31.624 31.700 0.015 0.000 0.788 350 G N -0.603 108.233 108.800 0.059 0.000 2.421 350 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.216 350 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.216 350 G C 1.421 176.388 174.900 0.112 0.000 1.171 350 G CA 0.387 45.527 45.100 0.066 0.000 0.775 350 G HN 0.160 nan 8.290 nan 0.000 0.543 351 F N 2.534 122.469 119.950 -0.025 0.000 2.146 351 F HA 0.122 4.648 4.527 -0.001 0.000 0.298 351 F C 2.767 178.551 175.800 -0.027 0.000 1.096 351 F CA 0.943 58.926 58.000 -0.028 0.000 1.275 351 F CB -0.519 38.463 39.000 -0.030 0.000 1.008 351 F HN 0.226 nan 8.300 nan 0.000 0.480 352 A N 0.289 123.064 122.820 -0.075 0.000 1.978 352 A HA -0.068 4.251 4.320 -0.001 0.000 0.220 352 A C 2.429 179.913 177.584 -0.167 0.000 1.170 352 A CA 1.832 53.759 52.037 -0.183 0.000 0.636 352 A CB -1.500 17.456 19.000 -0.074 0.000 0.810 352 A HN 0.488 nan 8.150 nan 0.000 0.448 353 A N 0.328 123.093 122.820 -0.093 0.000 1.898 353 A HA -0.073 4.247 4.320 -0.001 0.000 0.216 353 A C 2.512 180.045 177.584 -0.086 0.000 1.181 353 A CA 2.236 54.233 52.037 -0.067 0.000 0.620 353 A CB -0.972 18.011 19.000 -0.029 0.000 0.819 353 A HN 0.989 nan 8.150 nan 0.000 0.442 354 S N -0.392 115.242 115.700 -0.109 0.000 2.402 354 S HA -0.093 4.377 4.470 -0.001 0.000 0.229 354 S C 1.679 176.180 174.600 -0.165 0.000 1.021 354 S CA 1.319 59.454 58.200 -0.109 0.000 0.974 354 S CB -0.778 62.384 63.200 -0.064 0.000 0.800 354 S HN 0.225 nan 8.310 nan 0.000 0.484 355 V N 2.144 121.877 119.914 -0.301 0.000 2.515 355 V HA -0.112 4.008 4.120 -0.001 0.000 0.250 355 V C 2.751 178.796 176.094 -0.082 0.000 1.058 355 V CA 1.845 63.982 62.300 -0.271 0.000 1.064 355 V CB -0.768 30.785 31.823 -0.451 0.000 0.675 355 V HN 0.538 nan 8.190 nan 0.000 0.461 356 E N -0.012 120.146 120.200 -0.071 0.000 2.077 356 E HA -0.191 4.159 4.350 -0.001 0.000 0.193 356 E C 2.324 178.974 176.600 0.082 0.000 0.989 356 E CA 1.829 58.247 56.400 0.030 0.000 0.800 356 E CB -0.235 29.461 29.700 -0.006 0.000 0.746 356 E HN 0.574 nan 8.360 nan 0.000 0.452 357 T N 1.981 116.545 114.554 0.018 0.000 2.720 357 T HA -0.149 4.200 4.350 -0.001 0.000 0.268 357 T C 1.864 176.582 174.700 0.030 0.000 1.037 357 T CA 0.692 62.799 62.100 0.012 0.000 1.144 357 T CB -0.175 68.681 68.868 -0.020 0.000 0.864 357 T HN 0.136 nan 8.240 nan 0.000 0.444 358 L N -0.203 121.043 121.223 0.039 0.000 2.027 358 L HA -0.057 4.282 4.340 -0.001 0.000 0.206 358 L C 2.423 179.411 176.870 0.197 0.000 1.074 358 L CA 1.502 56.382 54.840 0.067 0.000 0.745 358 L CB -0.385 41.704 42.059 0.049 0.000 0.898 358 L HN 0.557 nan 8.230 nan 0.000 0.433 359 W N 0.778 122.090 121.300 0.019 0.000 2.342 359 W HA -0.198 4.461 4.660 -0.001 0.000 0.297 359 W C 1.830 178.401 176.519 0.086 0.000 1.213 359 W CA 1.231 58.599 57.345 0.038 0.000 1.251 359 W CB -0.237 29.184 29.460 -0.065 0.000 1.136 359 W HN 0.296 nan 8.180 nan 0.000 0.526 360 G N 0.726 109.523 108.800 -0.006 0.000 2.448 360 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.219 360 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.219 360 G C 1.479 176.333 174.900 -0.076 0.000 1.127 360 G CA 0.762 45.809 45.100 -0.089 0.000 0.766 360 G HN 0.271 nan 8.290 nan 0.000 0.552 361 K N -0.153 120.233 120.400 -0.023 0.000 2.418 361 K HA 0.084 4.403 4.320 -0.001 0.000 0.195 361 K C 2.132 178.754 176.600 0.037 0.000 1.035 361 K CA 0.922 57.210 56.287 0.001 0.000 1.003 361 K CB 0.251 32.754 32.500 0.005 0.000 0.793 361 K HN 0.212 nan 8.250 nan 0.000 0.494 362 T N -0.325 114.235 114.554 0.010 0.000 3.053 362 T HA -0.049 4.300 4.350 -0.001 0.000 0.236 362 T C 0.025 174.695 174.700 -0.051 0.000 0.996 362 T CA -0.088 62.075 62.100 0.105 0.000 1.185 362 T CB -0.306 68.731 68.868 0.282 0.000 0.892 362 T HN 0.081 nan 8.240 nan 0.000 0.432 363 Y N 3.850 123.718 120.300 -0.719 0.000 2.852 363 Y HA -0.010 4.540 4.550 -0.001 0.000 0.343 363 Y C 0.761 176.519 175.900 -0.237 0.000 1.280 363 Y CA -0.251 57.419 58.100 -0.717 0.000 1.604 363 Y CB -0.504 37.242 38.460 -1.190 0.000 1.216 363 Y HN 0.222 nan 8.280 nan 0.000 0.541 364 K N 3.194 123.322 120.400 -0.454 0.000 3.035 364 K HA -0.298 4.021 4.320 -0.001 0.000 0.262 364 K C -0.028 176.458 176.600 -0.191 0.000 1.024 364 K CA 1.018 57.079 56.287 -0.378 0.000 0.748 364 K CB -0.974 31.165 32.500 -0.603 0.000 1.247 364 K HN 0.835 nan 8.250 nan 0.000 0.482 365 R N 0.269 120.699 120.500 -0.117 0.000 2.623 365 R HA 0.005 4.344 4.340 -0.001 0.000 0.271 365 R C 0.568 176.821 176.300 -0.079 0.000 1.043 365 R CA -0.101 55.958 56.100 -0.068 0.000 1.083 365 R CB 0.444 30.738 30.300 -0.010 0.000 0.974 365 R HN 0.061 nan 8.270 nan 0.000 0.436 366 Q N 1.316 121.081 119.800 -0.059 0.000 2.391 366 Q HA 0.010 4.350 4.340 -0.001 0.000 0.211 366 Q C 0.239 176.209 176.000 -0.051 0.000 0.908 366 Q CA 0.211 55.981 55.803 -0.056 0.000 0.920 366 Q CB -0.037 28.677 28.738 -0.041 0.000 1.056 366 Q HN 0.629 nan 8.270 nan 0.000 0.523 367 K N 0.000 120.378 120.400 -0.037 0.000 2.780 367 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 367 K CA 0.000 56.272 56.287 -0.026 0.000 0.838 367 K CB 0.000 32.471 32.500 -0.048 0.000 1.064 367 K HN 0.000 nan 8.250 nan 0.000 0.543