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 2pmv_1_C DATA FIRST_RESID 7 DATA SEQUENCE ScSVPSAQEP LVNGIQVLME NSVTSSAYPN PSILIAMNLA GAYNLKAQKL DATA SEQUENCE LTYQLMSSDN NDLTIGHLGL TIMALTSScR DPGDKVSILQ RQMENWAPSS DATA SEQUENCE PNAEASAFYG PSLAILALcQ KNSEATLPIA VRFAKTLLAN SSPFNVDTGA DATA SEQUENCE MATLALTcMY NKIPVGSEEG YRSLFGQVLK DIVEKISMKI KDNGIIGDIY DATA SEQUENCE STGLAMQALS VTPEPSKKEW NcKKTTDMIL NEIKQGKFHN PMSIAQILPS DATA SEQUENCE LKGKTYLDVP QVTcSPDXXX XXXXXXXXXX XXTSASNITV IYTINNQLRG DATA SEQUENCE VELLFNETIN VSVKSGSVLL VVLEEAQRKN PMFKFETTMT SWGLVVSSIN DATA SEQUENCE NIAENVNHKT YWQFLSGVTP LNEGVADYIP FNHEHITANF TQY 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 7 S HA 0.000 nan 4.470 nan 0.000 0.327 7 S C 0.000 174.548 174.600 -0.086 0.000 1.055 7 S CA 0.000 58.162 58.200 -0.063 0.000 1.107 7 S CB 0.000 63.153 63.200 -0.078 0.000 0.593 8 c N 2.287 120.839 118.600 -0.080 0.000 3.090 8 c HA 0.656 5.226 4.570 0.000 0.000 0.227 8 c C 0.503 174.563 174.090 -0.050 0.000 1.753 8 c CA -1.130 55.147 56.329 -0.088 0.000 1.152 8 c CB -1.379 41.037 42.510 -0.156 0.000 2.036 8 c HN 0.250 nan 8.230 nan 0.000 0.610 9 S N 0.435 116.115 115.700 -0.034 0.000 2.617 9 S HA 0.495 4.965 4.470 0.000 0.000 0.259 9 S C 0.379 174.969 174.600 -0.017 0.000 1.301 9 S CA -0.319 57.870 58.200 -0.019 0.000 0.984 9 S CB 0.751 63.943 63.200 -0.014 0.000 0.954 9 S HN 0.521 nan 8.310 nan 0.000 0.572 10 V N 3.262 123.169 119.914 -0.011 0.000 2.488 10 V HA 0.213 4.333 4.120 0.000 0.000 0.277 10 V C -2.167 173.924 176.094 -0.004 0.000 1.046 10 V CA -1.659 60.636 62.300 -0.007 0.000 0.986 10 V CB 0.200 32.020 31.823 -0.005 0.000 0.989 10 V HN 0.653 nan 8.190 nan 0.000 0.475 11 P HA 0.027 nan 4.420 nan 0.000 0.258 11 P C -0.032 177.269 177.300 0.002 0.000 1.187 11 P CA 0.282 63.380 63.100 -0.003 0.000 0.767 11 P CB 0.176 31.874 31.700 -0.002 0.000 0.770 12 S N 3.122 118.823 115.700 0.002 0.000 2.898 12 S HA 0.295 4.765 4.470 0.000 0.000 0.324 12 S C 1.070 175.674 174.600 0.006 0.000 1.171 12 S CA 0.751 58.955 58.200 0.006 0.000 1.288 12 S CB -0.861 62.342 63.200 0.005 0.000 1.490 12 S HN 0.653 nan 8.310 nan 0.000 0.570 13 A N 2.465 125.290 122.820 0.008 0.000 2.399 13 A HA 0.061 4.381 4.320 0.000 0.000 0.208 13 A C 1.207 178.798 177.584 0.012 0.000 2.793 13 A CA -0.268 51.774 52.037 0.008 0.000 1.473 13 A CB -0.070 18.934 19.000 0.006 0.000 0.580 13 A HN 0.475 nan 8.150 nan 0.000 0.500 14 Q N 0.121 119.929 119.800 0.013 0.000 2.280 14 Q HA 0.171 4.511 4.340 0.000 0.000 0.228 14 Q C 1.139 177.151 176.000 0.020 0.000 0.857 14 Q CA 0.471 56.284 55.803 0.017 0.000 0.939 14 Q CB 0.496 29.244 28.738 0.015 0.000 1.114 14 Q HN 0.803 nan 8.270 nan 0.000 0.514 15 E N 1.067 121.279 120.200 0.019 0.000 2.114 15 E HA -0.203 4.147 4.350 0.000 0.000 0.199 15 E C -0.953 175.667 176.600 0.034 0.000 1.008 15 E CA 1.385 57.801 56.400 0.026 0.000 0.810 15 E CB -0.679 29.036 29.700 0.026 0.000 0.739 15 E HN 0.247 nan 8.360 nan 0.000 0.456 16 P HA -0.192 nan 4.420 nan 0.000 0.217 16 P C 1.318 178.640 177.300 0.037 0.000 1.148 16 P CA 0.942 64.058 63.100 0.027 0.000 0.834 16 P CB 0.058 31.769 31.700 0.018 0.000 0.783 17 L N -1.085 120.160 121.223 0.036 0.000 2.109 17 L HA -0.089 4.251 4.340 0.000 0.000 0.207 17 L C 2.125 179.023 176.870 0.046 0.000 1.086 17 L CA 1.675 56.541 54.840 0.043 0.000 0.760 17 L CB -1.073 41.011 42.059 0.042 0.000 0.910 17 L HN -0.153 nan 8.230 nan 0.000 0.437 18 V N -0.263 119.674 119.914 0.038 0.000 2.379 18 V HA -0.195 3.925 4.120 0.000 0.000 0.245 18 V C 2.278 178.412 176.094 0.068 0.000 1.044 18 V CA 1.396 63.714 62.300 0.030 0.000 1.036 18 V CB -0.801 31.032 31.823 0.015 0.000 0.664 18 V HN 0.450 nan 8.190 nan 0.000 0.453 19 N N 1.403 120.164 118.700 0.102 0.000 2.094 19 N HA -0.157 4.583 4.740 0.000 0.000 0.191 19 N C 1.931 177.541 175.510 0.167 0.000 1.023 19 N CA 1.829 54.993 53.050 0.190 0.000 0.857 19 N CB -0.824 37.739 38.487 0.128 0.000 1.013 19 N HN 0.527 nan 8.380 nan 0.000 0.426 20 G N 2.123 110.978 108.800 0.093 0.000 2.446 20 G HA2 -0.197 3.763 3.960 0.000 0.000 0.217 20 G HA3 -0.197 3.763 3.960 0.000 0.000 0.217 20 G C 1.591 176.543 174.900 0.086 0.000 1.168 20 G CA 0.982 46.128 45.100 0.077 0.000 0.771 20 G HN 0.500 nan 8.290 nan 0.000 0.551 21 I N -1.641 118.976 120.570 0.078 0.000 2.546 21 I HA -0.005 4.165 4.170 0.000 0.000 0.255 21 I C 2.449 178.600 176.117 0.056 0.000 1.163 21 I CA 1.681 63.022 61.300 0.069 0.000 1.457 21 I CB -0.384 37.648 38.000 0.052 0.000 1.092 21 I HN 0.262 nan 8.210 nan 0.000 0.434 22 Q N 1.646 121.487 119.800 0.068 0.000 2.050 22 Q HA -0.140 4.200 4.340 0.000 0.000 0.202 22 Q C 2.333 178.391 176.000 0.096 0.000 0.980 22 Q CA 2.375 58.203 55.803 0.042 0.000 0.840 22 Q CB 0.019 28.762 28.738 0.009 0.000 0.898 22 Q HN 0.505 nan 8.270 nan 0.000 0.424 23 V N 1.252 121.277 119.914 0.185 0.000 2.407 23 V HA -0.257 3.863 4.120 0.000 0.000 0.248 23 V C 2.323 178.471 176.094 0.090 0.000 1.055 23 V CA 1.402 63.803 62.300 0.170 0.000 1.049 23 V CB -0.488 31.410 31.823 0.125 0.000 0.662 23 V HN 0.483 nan 8.190 nan 0.000 0.455 24 L N -0.785 120.483 121.223 0.075 0.000 2.093 24 L HA -0.206 4.134 4.340 0.000 0.000 0.208 24 L C 2.388 179.283 176.870 0.042 0.000 1.085 24 L CA 2.097 56.972 54.840 0.059 0.000 0.755 24 L CB -0.201 41.901 42.059 0.071 0.000 0.904 24 L HN 0.395 nan 8.230 nan 0.000 0.435 25 M N -0.484 119.134 119.600 0.030 0.000 2.099 25 M HA -0.231 4.249 4.480 0.000 0.000 0.262 25 M C 1.894 178.193 176.300 -0.003 0.000 1.067 25 M CA 1.753 57.053 55.300 0.000 0.000 1.124 25 M CB -0.109 32.478 32.600 -0.022 0.000 1.353 25 M HN 0.217 nan 8.290 nan 0.000 0.410 26 E N 0.102 120.308 120.200 0.010 0.000 2.150 26 E HA -0.157 4.193 4.350 0.000 0.000 0.193 26 E C 1.453 178.063 176.600 0.016 0.000 0.985 26 E CA 0.746 57.150 56.400 0.007 0.000 0.814 26 E CB -0.226 29.490 29.700 0.027 0.000 0.752 26 E HN 0.544 nan 8.360 nan 0.000 0.466 27 N N 0.706 119.423 118.700 0.029 0.000 2.573 27 N HA -0.083 4.657 4.740 0.000 0.000 0.187 27 N C 1.568 177.088 175.510 0.017 0.000 1.107 27 N CA 0.850 53.915 53.050 0.025 0.000 0.918 27 N CB 0.084 38.590 38.487 0.031 0.000 0.966 27 N HN 0.117 nan 8.380 nan 0.000 0.448 28 S N -1.282 114.425 115.700 0.011 0.000 2.524 28 S HA 0.081 4.551 4.470 0.000 0.000 0.216 28 S C 0.706 175.309 174.600 0.006 0.000 0.987 28 S CA -0.354 57.851 58.200 0.009 0.000 0.909 28 S CB -0.009 63.192 63.200 0.003 0.000 0.781 28 S HN -0.127 nan 8.310 nan 0.000 0.521 29 V N 3.767 123.681 119.914 -0.000 0.000 2.446 29 V HA 0.451 4.571 4.120 0.000 0.000 0.276 29 V C 0.675 176.769 176.094 -0.001 0.000 1.030 29 V CA 0.417 62.714 62.300 -0.004 0.000 1.033 29 V CB -0.185 31.628 31.823 -0.016 0.000 0.993 29 V HN 0.723 nan 8.190 nan 0.000 0.477 30 T N 0.641 115.196 114.554 0.001 0.000 2.812 30 T HA 0.328 4.678 4.350 0.000 0.000 0.294 30 T C 0.821 175.521 174.700 0.000 0.000 1.159 30 T CA -0.089 62.013 62.100 0.003 0.000 1.008 30 T CB 1.701 70.573 68.868 0.007 0.000 1.289 30 T HN 0.282 nan 8.240 nan 0.000 0.514 31 S N 0.627 116.328 115.700 0.002 0.000 2.423 31 S HA -0.057 4.413 4.470 0.000 0.000 0.231 31 S C 2.026 176.623 174.600 -0.006 0.000 1.014 31 S CA 1.290 59.489 58.200 -0.001 0.000 0.965 31 S CB -0.470 62.731 63.200 0.002 0.000 0.785 31 S HN 0.911 nan 8.310 nan 0.000 0.495 32 S N 1.185 116.885 115.700 0.001 0.000 2.492 32 S HA 0.496 4.966 4.470 0.000 0.000 0.218 32 S C 0.882 175.493 174.600 0.018 0.000 1.016 32 S CA 0.049 58.252 58.200 0.005 0.000 0.916 32 S CB -0.235 62.970 63.200 0.008 0.000 0.791 32 S HN 0.466 nan 8.310 nan 0.000 0.513 33 A N 1.714 124.546 122.820 0.021 0.000 2.492 33 A HA 0.345 4.665 4.320 0.000 0.000 0.236 33 A C -0.204 177.417 177.584 0.062 0.000 1.078 33 A CA -0.199 51.866 52.037 0.046 0.000 0.773 33 A CB -0.449 18.571 19.000 0.033 0.000 1.023 33 A HN 0.567 nan 8.150 nan 0.000 0.504 34 Y N 2.430 122.713 120.300 -0.029 0.000 2.436 34 Y HA 0.401 4.951 4.550 0.000 0.000 0.336 34 Y C -2.099 173.772 175.900 -0.049 0.000 1.049 34 Y CA -2.168 55.910 58.100 -0.036 0.000 1.294 34 Y CB 0.272 38.714 38.460 -0.031 0.000 1.179 34 Y HN 0.433 nan 8.280 nan 0.000 0.520 35 P HA -0.040 nan 4.420 nan 0.000 0.258 35 P C -0.991 176.230 177.300 -0.130 0.000 1.214 35 P CA 0.419 63.385 63.100 -0.223 0.000 0.872 35 P CB 0.084 31.613 31.700 -0.285 0.000 0.890 36 N N 5.278 123.998 118.700 0.033 0.000 2.439 36 N HA 0.131 4.871 4.740 0.000 0.000 0.249 36 N C -1.432 174.075 175.510 -0.004 0.000 1.003 36 N CA -2.465 50.634 53.050 0.082 0.000 0.942 36 N CB 1.043 39.566 38.487 0.060 0.000 1.115 36 N HN 0.162 nan 8.380 nan 0.000 0.505 37 P HA -0.045 nan 4.420 nan 0.000 0.223 37 P C 0.808 178.069 177.300 -0.064 0.000 1.151 37 P CA 0.800 63.871 63.100 -0.048 0.000 0.787 37 P CB 0.520 32.193 31.700 -0.045 0.000 0.788 38 S N -0.086 115.588 115.700 -0.043 0.000 2.406 38 S HA -0.006 4.464 4.470 0.000 0.000 0.228 38 S C 2.011 176.585 174.600 -0.044 0.000 1.020 38 S CA 0.699 58.873 58.200 -0.044 0.000 0.965 38 S CB -0.747 62.445 63.200 -0.014 0.000 0.798 38 S HN 0.144 nan 8.310 nan 0.000 0.488 39 I N 0.981 121.517 120.570 -0.057 0.000 2.252 39 I HA -0.136 4.034 4.170 0.000 0.000 0.245 39 I C 2.262 178.344 176.117 -0.058 0.000 1.102 39 I CA 0.701 61.966 61.300 -0.059 0.000 1.385 39 I CB -0.258 37.706 38.000 -0.060 0.000 1.064 39 I HN 0.247 nan 8.210 nan 0.000 0.414 40 L N 1.172 122.357 121.223 -0.063 0.000 2.046 40 L HA -0.179 4.161 4.340 0.000 0.000 0.208 40 L C 2.299 179.125 176.870 -0.074 0.000 1.077 40 L CA 1.855 56.653 54.840 -0.071 0.000 0.747 40 L CB -0.452 41.562 42.059 -0.075 0.000 0.896 40 L HN 0.114 nan 8.230 nan 0.000 0.432 41 I N -0.550 119.971 120.570 -0.082 0.000 2.179 41 I HA -0.324 3.846 4.170 0.000 0.000 0.242 41 I C 2.595 178.695 176.117 -0.027 0.000 1.088 41 I CA 1.231 62.481 61.300 -0.084 0.000 1.357 41 I CB -0.711 37.184 38.000 -0.174 0.000 1.051 41 I HN 0.373 nan 8.210 nan 0.000 0.409 42 A N 1.770 124.586 122.820 -0.007 0.000 1.865 42 A HA -0.262 4.058 4.320 0.000 0.000 0.217 42 A C 2.439 179.990 177.584 -0.055 0.000 1.191 42 A CA 2.240 54.275 52.037 -0.004 0.000 0.623 42 A CB -0.798 18.194 19.000 -0.014 0.000 0.826 42 A HN 0.560 nan 8.150 nan 0.000 0.444 43 M N -1.393 118.161 119.600 -0.078 0.000 2.213 43 M HA -0.103 4.377 4.480 0.000 0.000 0.263 43 M C 1.368 177.601 176.300 -0.111 0.000 1.062 43 M CA 2.143 57.373 55.300 -0.117 0.000 1.105 43 M CB -0.821 31.711 32.600 -0.113 0.000 1.385 43 M HN 0.206 nan 8.290 nan 0.000 0.417 44 N N 1.541 120.192 118.700 -0.081 0.000 2.188 44 N HA 0.042 4.782 4.740 0.000 0.000 0.184 44 N C 1.845 177.320 175.510 -0.059 0.000 1.018 44 N CA 1.195 54.202 53.050 -0.071 0.000 0.858 44 N CB -0.317 38.131 38.487 -0.064 0.000 0.989 44 N HN 0.442 nan 8.380 nan 0.000 0.426 45 L N 0.016 121.213 121.223 -0.042 0.000 2.240 45 L HA 0.048 4.388 4.340 0.000 0.000 0.211 45 L C 2.059 178.901 176.870 -0.047 0.000 1.106 45 L CA 0.589 55.414 54.840 -0.025 0.000 0.793 45 L CB -0.184 41.883 42.059 0.015 0.000 0.927 45 L HN 0.094 nan 8.230 nan 0.000 0.446 46 A N -0.356 122.416 122.820 -0.081 0.000 2.030 46 A HA 0.369 4.689 4.320 0.000 0.000 0.215 46 A C 1.212 178.709 177.584 -0.145 0.000 1.164 46 A CA 0.776 52.744 52.037 -0.116 0.000 0.697 46 A CB -0.063 18.838 19.000 -0.165 0.000 0.827 46 A HN 0.402 nan 8.150 nan 0.000 0.457 47 G N -0.977 107.736 108.800 -0.144 0.000 3.238 47 G HA2 0.396 4.356 3.960 0.000 0.000 0.684 47 G HA3 0.396 4.356 3.960 0.000 0.000 0.684 47 G C -0.091 174.671 174.900 -0.231 0.000 1.156 47 G CA -0.278 44.743 45.100 -0.132 0.000 1.048 47 G HN 1.443 nan 8.290 nan 0.000 0.462 48 A N 2.576 125.296 122.820 -0.166 0.000 2.498 48 A HA 0.640 4.960 4.320 0.000 0.000 0.239 48 A C 0.962 178.490 177.584 -0.094 0.000 1.068 48 A CA 0.531 52.464 52.037 -0.174 0.000 0.766 48 A CB 0.316 19.261 19.000 -0.093 0.000 1.003 48 A HN 0.978 nan 8.150 nan 0.000 0.497 49 Y N 1.127 121.414 120.300 -0.022 0.000 2.239 49 Y HA 0.052 4.602 4.550 0.000 0.000 0.293 49 Y C 1.523 177.410 175.900 -0.021 0.000 1.126 49 Y CA 0.968 59.057 58.100 -0.018 0.000 1.128 49 Y CB -0.513 37.938 38.460 -0.014 0.000 1.066 49 Y HN 0.774 nan 8.280 nan 0.000 0.516 50 N N 1.567 120.364 118.700 0.160 0.000 2.508 50 N HA 0.092 4.832 4.740 0.000 0.000 0.253 50 N C 0.511 176.034 175.510 0.021 0.000 1.145 50 N CA -0.097 52.996 53.050 0.073 0.000 0.973 50 N CB 0.154 38.675 38.487 0.058 0.000 1.305 50 N HN 0.228 nan 8.380 nan 0.000 0.506 51 L N 2.458 123.689 121.223 0.013 0.000 2.265 51 L HA -0.171 4.169 4.340 0.000 0.000 0.215 51 L C 2.290 179.137 176.870 -0.038 0.000 1.117 51 L CA 1.055 55.884 54.840 -0.018 0.000 0.782 51 L CB -0.229 41.822 42.059 -0.014 0.000 0.914 51 L HN 0.543 nan 8.230 nan 0.000 0.441 52 K N 0.212 120.598 120.400 -0.024 0.000 2.031 52 K HA -0.034 4.286 4.320 0.000 0.000 0.205 52 K C 2.281 178.856 176.600 -0.042 0.000 1.049 52 K CA 1.208 57.476 56.287 -0.031 0.000 0.939 52 K CB -0.230 32.262 32.500 -0.013 0.000 0.717 52 K HN 0.221 nan 8.250 nan 0.000 0.438 53 A N 0.936 123.740 122.820 -0.027 0.000 1.940 53 A HA -0.276 4.044 4.320 0.000 0.000 0.219 53 A C 2.120 179.668 177.584 -0.060 0.000 1.176 53 A CA 1.785 53.803 52.037 -0.032 0.000 0.631 53 A CB -0.637 18.354 19.000 -0.015 0.000 0.814 53 A HN 0.454 nan 8.150 nan 0.000 0.446 54 Q N -0.268 119.491 119.800 -0.067 0.000 2.096 54 Q HA -0.256 4.084 4.340 0.000 0.000 0.204 54 Q C 2.174 178.082 176.000 -0.153 0.000 0.982 54 Q CA 2.173 57.919 55.803 -0.095 0.000 0.850 54 Q CB -0.172 28.515 28.738 -0.086 0.000 0.901 54 Q HN 0.708 nan 8.270 nan 0.000 0.422 55 K N -0.122 120.166 120.400 -0.187 0.000 2.057 55 K HA -0.162 4.158 4.320 0.000 0.000 0.206 55 K C 2.188 178.565 176.600 -0.371 0.000 1.050 55 K CA 0.989 57.064 56.287 -0.353 0.000 0.935 55 K CB -0.165 32.150 32.500 -0.308 0.000 0.715 55 K HN 0.236 nan 8.250 nan 0.000 0.439 56 L N 1.417 122.542 121.223 -0.163 0.000 2.012 56 L HA -0.160 4.180 4.340 0.000 0.000 0.210 56 L C 2.075 178.916 176.870 -0.048 0.000 1.073 56 L CA 1.480 56.286 54.840 -0.056 0.000 0.748 56 L CB -0.796 41.252 42.059 -0.018 0.000 0.891 56 L HN 0.244 nan 8.230 nan 0.000 0.431 57 L N -0.630 120.549 121.223 -0.074 0.000 2.046 57 L HA -0.185 4.155 4.340 0.000 0.000 0.208 57 L C 2.399 179.229 176.870 -0.066 0.000 1.077 57 L CA 2.476 57.279 54.840 -0.063 0.000 0.747 57 L CB -1.301 40.718 42.059 -0.067 0.000 0.896 57 L HN 0.389 nan 8.230 nan 0.000 0.432 58 T N -1.196 113.288 114.554 -0.117 0.000 2.720 58 T HA -0.210 4.140 4.350 0.000 0.000 0.268 58 T C 1.732 176.437 174.700 0.009 0.000 1.037 58 T CA 1.786 63.821 62.100 -0.108 0.000 1.144 58 T CB -0.382 68.362 68.868 -0.206 0.000 0.864 58 T HN 0.269 nan 8.240 nan 0.000 0.444 59 Y N 1.891 122.164 120.300 -0.044 0.000 2.242 59 Y HA -0.030 4.520 4.550 0.000 0.000 0.291 59 Y C 2.632 178.499 175.900 -0.055 0.000 1.137 59 Y CA 0.180 58.254 58.100 -0.044 0.000 1.181 59 Y CB -0.921 37.517 38.460 -0.037 0.000 0.989 59 Y HN 0.367 nan 8.280 nan 0.000 0.527 60 Q N -0.301 119.556 119.800 0.095 0.000 2.124 60 Q HA -0.159 4.181 4.340 0.000 0.000 0.202 60 Q C 2.199 178.180 176.000 -0.032 0.000 0.977 60 Q CA 1.561 57.367 55.803 0.005 0.000 0.850 60 Q CB -0.350 28.366 28.738 -0.038 0.000 0.901 60 Q HN 0.455 nan 8.270 nan 0.000 0.429 61 L N -0.372 120.833 121.223 -0.030 0.000 2.109 61 L HA -0.097 4.244 4.340 0.000 0.000 0.207 61 L C 2.365 179.220 176.870 -0.025 0.000 1.086 61 L CA 0.730 55.540 54.840 -0.050 0.000 0.760 61 L CB -0.296 41.730 42.059 -0.056 0.000 0.910 61 L HN 0.273 nan 8.230 nan 0.000 0.437 62 M N -0.300 119.310 119.600 0.016 0.000 2.279 62 M HA -0.153 4.327 4.480 0.000 0.000 0.264 62 M C 2.063 178.360 176.300 -0.005 0.000 1.062 62 M CA 1.858 57.170 55.300 0.020 0.000 1.099 62 M CB -0.301 32.343 32.600 0.073 0.000 1.394 62 M HN 0.336 nan 8.290 nan 0.000 0.426 63 S N -0.813 114.879 115.700 -0.013 0.000 2.557 63 S HA 0.118 4.588 4.470 0.000 0.000 0.223 63 S C 0.667 175.239 174.600 -0.047 0.000 0.969 63 S CA -0.409 57.771 58.200 -0.034 0.000 0.927 63 S CB -0.476 62.700 63.200 -0.041 0.000 0.806 63 S HN 0.368 nan 8.310 nan 0.000 0.489 64 S N 1.604 117.271 115.700 -0.056 0.000 2.572 64 S HA 0.223 4.693 4.470 0.000 0.000 0.279 64 S C -0.286 174.281 174.600 -0.054 0.000 1.341 64 S CA -0.580 57.574 58.200 -0.076 0.000 1.043 64 S CB 0.534 63.672 63.200 -0.103 0.000 0.887 64 S HN 0.395 nan 8.310 nan 0.000 0.516 65 D N 1.131 121.500 120.400 -0.051 0.000 2.317 65 D HA 0.129 4.769 4.640 0.000 0.000 0.252 65 D C 0.707 176.997 176.300 -0.017 0.000 1.174 65 D CA -0.399 53.583 54.000 -0.030 0.000 0.866 65 D CB 0.478 41.264 40.800 -0.024 0.000 1.127 65 D HN 0.520 nan 8.370 nan 0.000 0.467 66 N N 3.528 122.224 118.700 -0.008 0.000 2.258 66 N HA -0.181 4.559 4.740 0.000 0.000 0.187 66 N C 0.811 176.334 175.510 0.021 0.000 1.012 66 N CA 0.881 53.935 53.050 0.006 0.000 0.870 66 N CB -0.241 38.248 38.487 0.005 0.000 0.977 66 N HN 0.573 nan 8.380 nan 0.000 0.434 67 N N 0.150 118.861 118.700 0.018 0.000 2.461 67 N HA -0.021 4.719 4.740 0.000 0.000 0.188 67 N C 0.162 175.697 175.510 0.042 0.000 1.134 67 N CA 0.212 53.280 53.050 0.029 0.000 0.878 67 N CB 0.263 38.764 38.487 0.022 0.000 0.972 67 N HN 0.117 nan 8.380 nan 0.000 0.456 68 D N 0.012 120.434 120.400 0.037 0.000 2.360 68 D HA 0.132 4.772 4.640 0.000 0.000 0.210 68 D C -0.035 176.333 176.300 0.115 0.000 1.047 68 D CA 0.265 54.295 54.000 0.051 0.000 0.854 68 D CB 0.544 41.344 40.800 0.001 0.000 0.936 68 D HN 0.181 nan 8.370 nan 0.000 0.514 69 L N 0.961 122.263 121.223 0.131 0.000 2.325 69 L HA 0.316 4.656 4.340 0.000 0.000 0.279 69 L C 0.975 178.009 176.870 0.274 0.000 1.054 69 L CA -0.615 54.400 54.840 0.291 0.000 0.804 69 L CB 1.580 43.725 42.059 0.142 0.000 1.200 69 L HN -0.110 nan 8.230 nan 0.000 0.436 70 T N -1.709 113.017 114.554 0.287 0.000 2.847 70 T HA 0.348 4.698 4.350 0.000 0.000 0.279 70 T C 1.419 176.108 174.700 -0.019 0.000 0.984 70 T CA -0.673 61.404 62.100 -0.038 0.000 0.988 70 T CB 1.198 69.871 68.868 -0.325 0.000 1.040 70 T HN 0.445 nan 8.240 nan 0.000 0.528 71 I N 1.037 121.583 120.570 -0.040 0.000 2.145 71 I HA -0.192 3.978 4.170 0.000 0.000 0.244 71 I C 2.712 178.788 176.117 -0.068 0.000 1.075 71 I CA 2.092 63.358 61.300 -0.057 0.000 1.332 71 I CB -0.806 37.132 38.000 -0.104 0.000 1.033 71 I HN 0.967 nan 8.210 nan 0.000 0.410 72 G N -1.163 107.590 108.800 -0.079 0.000 2.403 72 G HA2 -0.189 3.771 3.960 0.000 0.000 0.216 72 G HA3 -0.189 3.771 3.960 0.000 0.000 0.216 72 G C 1.325 176.259 174.900 0.057 0.000 1.154 72 G CA 0.539 45.622 45.100 -0.029 0.000 0.784 72 G HN 0.446 nan 8.290 nan 0.000 0.538 73 H N -0.649 118.435 119.070 0.024 0.000 2.267 73 H HA -0.084 4.472 4.556 0.000 0.000 0.297 73 H C 2.569 177.891 175.328 -0.010 0.000 1.080 73 H CA 0.783 56.847 56.048 0.026 0.000 1.278 73 H CB -0.016 29.767 29.762 0.035 0.000 1.365 73 H HN 0.170 nan 8.280 nan 0.000 0.489 74 L N 0.502 121.809 121.223 0.140 0.000 1.978 74 L HA -0.184 4.156 4.340 0.000 0.000 0.218 74 L C 2.738 179.606 176.870 -0.004 0.000 1.075 74 L CA 2.114 56.981 54.840 0.044 0.000 0.767 74 L CB -1.339 40.734 42.059 0.023 0.000 0.890 74 L HN 0.426 nan 8.230 nan 0.000 0.434 75 G N -1.141 107.641 108.800 -0.029 0.000 2.476 75 G HA2 -0.281 3.679 3.960 0.000 0.000 0.218 75 G HA3 -0.281 3.679 3.960 0.000 0.000 0.218 75 G C 1.576 176.428 174.900 -0.080 0.000 1.164 75 G CA 0.898 45.956 45.100 -0.071 0.000 0.768 75 G HN 0.312 nan 8.290 nan 0.000 0.560 76 L N 1.026 122.217 121.223 -0.053 0.000 2.012 76 L HA -0.045 4.295 4.340 0.000 0.000 0.210 76 L C 3.161 179.981 176.870 -0.084 0.000 1.073 76 L CA 2.126 56.916 54.840 -0.083 0.000 0.748 76 L CB -1.287 40.766 42.059 -0.009 0.000 0.891 76 L HN 0.211 nan 8.230 nan 0.000 0.431 77 T N -0.540 113.987 114.554 -0.044 0.000 2.788 77 T HA -0.130 4.220 4.350 0.000 0.000 0.268 77 T C 2.045 176.709 174.700 -0.060 0.000 1.044 77 T CA 1.264 63.333 62.100 -0.052 0.000 1.139 77 T CB -0.155 68.690 68.868 -0.038 0.000 0.867 77 T HN 0.215 nan 8.240 nan 0.000 0.454 78 I N 0.616 121.150 120.570 -0.060 0.000 2.252 78 I HA -0.150 4.020 4.170 0.000 0.000 0.245 78 I C 2.511 178.582 176.117 -0.077 0.000 1.102 78 I CA 1.319 62.583 61.300 -0.060 0.000 1.385 78 I CB -0.300 37.665 38.000 -0.057 0.000 1.064 78 I HN 0.249 nan 8.210 nan 0.000 0.414 79 M N 0.061 119.597 119.600 -0.107 0.000 2.175 79 M HA -0.152 4.328 4.480 0.000 0.000 0.264 79 M C 2.519 178.745 176.300 -0.124 0.000 1.063 79 M CA 1.737 56.958 55.300 -0.132 0.000 1.119 79 M CB -0.429 32.047 32.600 -0.207 0.000 1.377 79 M HN 0.302 nan 8.290 nan 0.000 0.415 80 A N 0.704 123.451 122.820 -0.121 0.000 1.877 80 A HA -0.117 4.203 4.320 0.000 0.000 0.216 80 A C 2.095 179.632 177.584 -0.079 0.000 1.186 80 A CA 1.282 53.257 52.037 -0.104 0.000 0.620 80 A CB -0.894 18.049 19.000 -0.094 0.000 0.822 80 A HN 0.427 nan 8.150 nan 0.000 0.443 81 L N -0.714 120.469 121.223 -0.066 0.000 2.012 81 L HA -0.189 4.151 4.340 0.000 0.000 0.210 81 L C 2.822 179.664 176.870 -0.047 0.000 1.073 81 L CA 1.939 56.750 54.840 -0.048 0.000 0.748 81 L CB -1.104 40.933 42.059 -0.037 0.000 0.891 81 L HN 0.359 nan 8.230 nan 0.000 0.431 82 T N -0.613 113.911 114.554 -0.051 0.000 2.720 82 T HA -0.181 4.169 4.350 0.000 0.000 0.268 82 T C 2.027 176.699 174.700 -0.047 0.000 1.037 82 T CA 1.702 63.775 62.100 -0.046 0.000 1.144 82 T CB -0.269 68.569 68.868 -0.049 0.000 0.864 82 T HN 0.545 nan 8.240 nan 0.000 0.444 83 S N 0.609 116.274 115.700 -0.058 0.000 2.474 83 S HA 0.028 4.498 4.470 0.000 0.000 0.235 83 S C 1.885 176.453 174.600 -0.053 0.000 0.997 83 S CA 0.763 58.931 58.200 -0.055 0.000 0.949 83 S CB -0.233 62.929 63.200 -0.065 0.000 0.766 83 S HN 0.252 nan 8.310 nan 0.000 0.517 84 S N -0.192 115.475 115.700 -0.055 0.000 2.557 84 S HA 0.258 4.728 4.470 0.000 0.000 0.223 84 S C 0.377 174.951 174.600 -0.043 0.000 0.969 84 S CA 0.043 58.209 58.200 -0.057 0.000 0.927 84 S CB -0.768 62.391 63.200 -0.068 0.000 0.806 84 S HN 0.696 nan 8.310 nan 0.000 0.489 85 c N 2.668 121.247 118.600 -0.035 0.000 4.350 85 c HA -0.118 4.452 4.570 0.000 0.000 0.302 85 c C 0.327 174.406 174.090 -0.017 0.000 1.390 85 c CA 0.131 56.445 56.329 -0.025 0.000 2.016 85 c CB -2.094 40.402 42.510 -0.023 0.000 1.271 85 c HN 0.427 nan 8.230 nan 0.000 0.760 86 R N 0.703 121.193 120.500 -0.018 0.000 2.562 86 R HA 0.411 4.751 4.340 0.000 0.000 0.298 86 R C -0.218 176.076 176.300 -0.009 0.000 0.961 86 R CA -0.567 55.529 56.100 -0.006 0.000 0.881 86 R CB 1.190 31.490 30.300 0.000 0.000 1.159 86 R HN 0.405 nan 8.270 nan 0.000 0.450 87 D N 2.789 123.187 120.400 -0.004 0.000 2.425 87 D HA 0.095 4.735 4.640 0.000 0.000 0.247 87 D C -1.531 174.763 176.300 -0.009 0.000 1.147 87 D CA -1.507 52.489 54.000 -0.008 0.000 0.879 87 D CB 1.328 42.126 40.800 -0.005 0.000 1.179 87 D HN 0.173 nan 8.370 nan 0.000 0.456 88 P HA 0.173 nan 4.420 nan 0.000 0.234 88 P C 0.833 178.124 177.300 -0.014 0.000 1.175 88 P CA 0.457 63.547 63.100 -0.018 0.000 0.801 88 P CB 0.186 31.871 31.700 -0.025 0.000 0.891 89 G N 1.047 109.839 108.800 -0.012 0.000 2.698 89 G HA2 -0.474 3.486 3.960 0.000 0.000 0.337 89 G HA3 -0.474 3.486 3.960 0.000 0.000 0.337 89 G C 1.147 176.042 174.900 -0.009 0.000 1.286 89 G CA 1.236 46.330 45.100 -0.009 0.000 1.000 89 G HN 0.256 nan 8.290 nan 0.000 0.547 90 D N 0.394 120.790 120.400 -0.008 0.000 2.347 90 D HA -0.211 4.429 4.640 0.000 0.000 0.189 90 D C 2.486 178.783 176.300 -0.005 0.000 1.020 90 D CA 2.416 56.412 54.000 -0.006 0.000 0.875 90 D CB -0.200 40.596 40.800 -0.006 0.000 0.928 90 D HN 0.647 nan 8.370 nan 0.000 0.454 91 K N -0.324 120.071 120.400 -0.008 0.000 2.113 91 K HA -0.142 4.178 4.320 0.000 0.000 0.208 91 K C 2.293 178.887 176.600 -0.011 0.000 1.047 91 K CA 1.300 57.581 56.287 -0.009 0.000 0.928 91 K CB -0.419 32.073 32.500 -0.014 0.000 0.716 91 K HN 0.200 nan 8.250 nan 0.000 0.446 92 V N 1.505 121.410 119.914 -0.014 0.000 2.427 92 V HA -0.198 3.922 4.120 0.000 0.000 0.248 92 V C 2.310 178.399 176.094 -0.008 0.000 1.051 92 V CA 1.750 64.041 62.300 -0.016 0.000 1.048 92 V CB -0.318 31.494 31.823 -0.018 0.000 0.666 92 V HN 0.269 nan 8.190 nan 0.000 0.456 93 S N 0.078 115.776 115.700 -0.003 0.000 2.355 93 S HA -0.096 4.374 4.470 0.000 0.000 0.222 93 S C 1.909 176.513 174.600 0.007 0.000 1.031 93 S CA 1.607 59.809 58.200 0.003 0.000 0.993 93 S CB -0.313 62.889 63.200 0.004 0.000 0.859 93 S HN 0.496 nan 8.310 nan 0.000 0.453 94 I N 1.136 121.710 120.570 0.006 0.000 2.163 94 I HA -0.206 3.964 4.170 0.000 0.000 0.243 94 I C 2.373 178.498 176.117 0.013 0.000 1.085 94 I CA 0.977 62.284 61.300 0.012 0.000 1.347 94 I CB -0.399 37.608 38.000 0.011 0.000 1.044 94 I HN 0.243 nan 8.210 nan 0.000 0.408 95 L N 0.837 122.062 121.223 0.003 0.000 2.017 95 L HA -0.245 4.095 4.340 0.000 0.000 0.208 95 L C 2.535 179.404 176.870 -0.001 0.000 1.073 95 L CA 1.921 56.758 54.840 -0.005 0.000 0.745 95 L CB -0.877 41.167 42.059 -0.024 0.000 0.894 95 L HN 0.185 nan 8.230 nan 0.000 0.432 96 Q N 0.453 120.254 119.800 0.001 0.000 2.077 96 Q HA -0.271 4.069 4.340 0.000 0.000 0.206 96 Q C 2.380 178.398 176.000 0.030 0.000 0.989 96 Q CA 2.574 58.383 55.803 0.010 0.000 0.853 96 Q CB -0.352 28.392 28.738 0.010 0.000 0.907 96 Q HN 0.693 nan 8.270 nan 0.000 0.418 97 R N -0.737 119.782 120.500 0.031 0.000 2.148 97 R HA -0.056 4.284 4.340 0.000 0.000 0.223 97 R C 2.073 178.408 176.300 0.058 0.000 1.088 97 R CA 1.305 57.431 56.100 0.043 0.000 0.985 97 R CB -0.330 29.991 30.300 0.035 0.000 0.880 97 R HN 0.326 nan 8.270 nan 0.000 0.451 98 Q N 0.039 119.872 119.800 0.055 0.000 2.119 98 Q HA -0.022 4.318 4.340 0.000 0.000 0.201 98 Q C 2.065 178.137 176.000 0.121 0.000 0.972 98 Q CA 1.286 57.136 55.803 0.077 0.000 0.847 98 Q CB 0.028 28.803 28.738 0.061 0.000 0.903 98 Q HN 0.335 nan 8.270 nan 0.000 0.433 99 M N 0.431 120.086 119.600 0.092 0.000 2.229 99 M HA -0.117 4.363 4.480 0.000 0.000 0.264 99 M C 1.455 177.871 176.300 0.194 0.000 1.063 99 M CA 1.429 56.807 55.300 0.129 0.000 1.114 99 M CB -0.570 32.044 32.600 0.024 0.000 1.387 99 M HN 0.204 nan 8.290 nan 0.000 0.420 100 E N -0.507 119.773 120.200 0.134 0.000 2.418 100 E HA -0.082 4.268 4.350 0.000 0.000 0.197 100 E C 1.306 177.984 176.600 0.131 0.000 1.026 100 E CA 0.326 56.803 56.400 0.128 0.000 0.862 100 E CB -0.049 29.704 29.700 0.088 0.000 0.799 100 E HN 0.471 nan 8.360 nan 0.000 0.518 101 N N -0.471 118.317 118.700 0.146 0.000 2.205 101 N HA -0.001 4.739 4.740 0.000 0.000 0.201 101 N C -0.742 174.855 175.510 0.146 0.000 1.128 101 N CA -0.182 52.938 53.050 0.116 0.000 0.867 101 N CB 0.476 39.018 38.487 0.092 0.000 0.996 101 N HN 0.110 nan 8.380 nan 0.000 0.503 102 W N 1.806 123.127 121.300 0.036 0.000 2.381 102 W HA 0.554 5.214 4.660 0.000 0.000 0.329 102 W C -0.821 175.728 176.519 0.050 0.000 1.157 102 W CA -0.186 57.180 57.345 0.035 0.000 1.240 102 W CB 0.759 30.241 29.460 0.037 0.000 1.199 102 W HN -0.052 nan 8.180 nan 0.000 0.579 103 A N 6.620 128.603 122.820 -1.395 0.000 2.594 103 A HA 0.520 4.840 4.320 0.000 0.000 0.296 103 A C -2.699 174.003 177.584 -1.470 0.000 1.061 103 A CA -1.298 49.906 52.037 -1.388 0.000 0.689 103 A CB 0.857 19.525 19.000 -0.552 0.000 1.280 103 A HN 0.486 nan 8.150 nan 0.000 0.406 104 P HA 0.156 nan 4.420 nan 0.000 0.271 104 P C 1.003 178.099 177.300 -0.338 0.000 1.233 104 P CA 0.366 63.109 63.100 -0.595 0.000 0.789 104 P CB 0.708 32.181 31.700 -0.378 0.000 0.951 105 S N -0.505 115.079 115.700 -0.193 0.000 2.423 105 S HA -0.004 4.466 4.470 0.000 0.000 0.231 105 S C 0.947 175.492 174.600 -0.092 0.000 1.014 105 S CA 0.815 58.941 58.200 -0.122 0.000 0.965 105 S CB -0.679 62.479 63.200 -0.070 0.000 0.785 105 S HN 0.856 nan 8.310 nan 0.000 0.495 106 S N -0.227 115.430 115.700 -0.072 0.000 2.636 106 S HA 0.443 4.913 4.470 0.000 0.000 0.266 106 S C -3.026 171.575 174.600 0.002 0.000 1.147 106 S CA -0.839 57.339 58.200 -0.037 0.000 0.815 106 S CB 0.894 64.080 63.200 -0.024 0.000 1.119 106 S HN 0.030 nan 8.310 nan 0.000 0.470 107 P HA 0.172 nan 4.420 nan 0.000 0.245 107 P C 0.102 177.442 177.300 0.066 0.000 1.212 107 P CA 0.617 63.747 63.100 0.049 0.000 0.774 107 P CB -0.651 31.064 31.700 0.025 0.000 0.999 108 N N -0.484 118.246 118.700 0.051 0.000 2.187 108 N HA 0.225 4.965 4.740 0.000 0.000 0.212 108 N C 0.383 175.937 175.510 0.072 0.000 1.152 108 N CA -0.349 52.734 53.050 0.056 0.000 0.872 108 N CB 0.284 38.789 38.487 0.029 0.000 1.025 108 N HN 0.038 nan 8.380 nan 0.000 0.514 109 A N 1.885 124.756 122.820 0.085 0.000 2.520 109 A HA -0.001 4.319 4.320 0.000 0.000 0.235 109 A C 0.762 178.438 177.584 0.153 0.000 1.065 109 A CA -0.099 51.991 52.037 0.088 0.000 0.764 109 A CB 0.180 19.210 19.000 0.049 0.000 1.002 109 A HN 0.349 nan 8.150 nan 0.000 0.502 110 E N 1.853 122.137 120.200 0.139 0.000 2.413 110 E HA 0.174 4.524 4.350 0.000 0.000 0.263 110 E C 1.051 177.786 176.600 0.224 0.000 1.015 110 E CA 0.372 56.868 56.400 0.160 0.000 0.916 110 E CB 0.485 30.281 29.700 0.160 0.000 0.947 110 E HN 0.699 nan 8.360 nan 0.000 0.440 111 A N 3.923 126.868 122.820 0.208 0.000 1.903 111 A HA -0.297 4.023 4.320 0.000 0.000 0.219 111 A C 2.176 179.934 177.584 0.291 0.000 1.191 111 A CA 2.926 55.118 52.037 0.258 0.000 0.638 111 A CB -1.152 17.914 19.000 0.110 0.000 0.823 111 A HN 0.864 nan 8.150 nan 0.000 0.451 112 S N -0.207 115.580 115.700 0.145 0.000 2.537 112 S HA 0.174 4.644 4.470 0.000 0.000 0.240 112 S C 1.695 176.380 174.600 0.142 0.000 0.981 112 S CA 1.060 59.326 58.200 0.109 0.000 0.948 112 S CB -0.550 62.611 63.200 -0.064 0.000 0.759 112 S HN 0.968 nan 8.310 nan 0.000 0.531 113 A N 0.490 123.401 122.820 0.151 0.000 2.121 113 A HA 0.245 4.565 4.320 0.000 0.000 0.218 113 A C 1.492 179.058 177.584 -0.030 0.000 1.154 113 A CA 0.640 52.699 52.037 0.035 0.000 0.679 113 A CB -0.778 18.186 19.000 -0.060 0.000 0.795 113 A HN 0.597 nan 8.150 nan 0.000 0.458 114 F N -2.806 117.290 119.950 0.242 0.000 2.754 114 F HA 0.114 4.641 4.527 0.000 0.000 0.297 114 F C 1.759 177.682 175.800 0.206 0.000 1.122 114 F CA 0.051 58.211 58.000 0.267 0.000 1.400 114 F CB -0.369 38.762 39.000 0.219 0.000 1.117 114 F HN 0.369 nan 8.300 nan 0.000 0.587 115 Y N 1.103 121.502 120.300 0.165 0.000 2.049 115 Y HA -0.207 4.343 4.550 0.000 0.000 0.277 115 Y C 2.573 178.468 175.900 -0.010 0.000 1.143 115 Y CA 1.860 60.003 58.100 0.072 0.000 1.115 115 Y CB -0.903 37.569 38.460 0.021 0.000 0.975 115 Y HN 0.045 nan 8.280 nan 0.000 0.487 116 G N -0.274 108.647 108.800 0.202 0.000 2.476 116 G HA2 -0.246 3.714 3.960 0.000 0.000 0.218 116 G HA3 -0.246 3.714 3.960 0.000 0.000 0.218 116 G C -0.617 174.164 174.900 -0.199 0.000 1.164 116 G CA 1.078 46.187 45.100 0.015 0.000 0.768 116 G HN 0.366 nan 8.290 nan 0.000 0.560 117 P HA -0.029 nan 4.420 nan 0.000 0.216 117 P C 2.275 179.197 177.300 -0.630 0.000 1.150 117 P CA 1.568 64.273 63.100 -0.657 0.000 0.837 117 P CB -0.034 31.065 31.700 -1.002 0.000 0.786 118 S N -0.613 114.843 115.700 -0.406 0.000 2.356 118 S HA -0.135 4.335 4.470 0.000 0.000 0.223 118 S C 1.758 176.148 174.600 -0.350 0.000 1.032 118 S CA 1.054 59.007 58.200 -0.411 0.000 1.005 118 S CB -1.120 61.998 63.200 -0.137 0.000 0.867 118 S HN 0.030 nan 8.310 nan 0.000 0.449 119 L N 1.628 122.681 121.223 -0.283 0.000 2.042 119 L HA -0.057 4.283 4.340 0.000 0.000 0.210 119 L C 2.575 179.319 176.870 -0.210 0.000 1.076 119 L CA 1.778 56.491 54.840 -0.213 0.000 0.749 119 L CB -1.532 40.438 42.059 -0.148 0.000 0.893 119 L HN 0.315 nan 8.230 nan 0.000 0.432 120 A N -0.877 121.792 122.820 -0.250 0.000 1.898 120 A HA -0.167 4.153 4.320 0.000 0.000 0.216 120 A C 2.338 179.776 177.584 -0.244 0.000 1.181 120 A CA 1.676 53.577 52.037 -0.227 0.000 0.620 120 A CB -0.642 18.208 19.000 -0.251 0.000 0.819 120 A HN 0.363 nan 8.150 nan 0.000 0.442 121 I N -0.784 119.573 120.570 -0.355 0.000 2.252 121 I HA -0.210 3.960 4.170 0.000 0.000 0.245 121 I C 2.366 178.343 176.117 -0.232 0.000 1.102 121 I CA 0.907 62.009 61.300 -0.331 0.000 1.385 121 I CB -0.160 37.514 38.000 -0.543 0.000 1.064 121 I HN 0.393 nan 8.210 nan 0.000 0.414 122 L N 1.042 122.131 121.223 -0.224 0.000 1.989 122 L HA -0.206 4.134 4.340 0.000 0.000 0.211 122 L C 2.580 179.379 176.870 -0.119 0.000 1.071 122 L CA 2.311 57.062 54.840 -0.148 0.000 0.749 122 L CB -1.116 40.873 42.059 -0.117 0.000 0.890 122 L HN 0.229 nan 8.230 nan 0.000 0.431 123 A N -0.681 122.063 122.820 -0.126 0.000 1.873 123 A HA -0.233 4.087 4.320 0.000 0.000 0.218 123 A C 2.178 179.712 177.584 -0.084 0.000 1.193 123 A CA 2.224 54.200 52.037 -0.103 0.000 0.629 123 A CB -1.057 17.880 19.000 -0.104 0.000 0.826 123 A HN 0.449 nan 8.150 nan 0.000 0.447 124 L N -0.696 120.472 121.223 -0.092 0.000 2.131 124 L HA -0.163 4.177 4.340 0.000 0.000 0.210 124 L C 2.780 179.615 176.870 -0.058 0.000 1.092 124 L CA 1.645 56.444 54.840 -0.069 0.000 0.759 124 L CB -1.302 40.712 42.059 -0.074 0.000 0.903 124 L HN 0.673 nan 8.230 nan 0.000 0.435 125 c N -0.863 117.692 118.600 -0.075 0.000 2.440 125 c HA -0.153 4.417 4.570 0.000 0.000 0.278 125 c C 2.764 176.827 174.090 -0.044 0.000 1.295 125 c CA 0.574 56.867 56.329 -0.060 0.000 1.738 125 c CB -0.595 41.864 42.510 -0.084 0.000 1.987 125 c HN 0.578 nan 8.230 nan 0.000 0.492 126 Q N -0.112 119.658 119.800 -0.049 0.000 2.172 126 Q HA -0.099 4.241 4.340 0.000 0.000 0.200 126 Q C 2.214 178.196 176.000 -0.031 0.000 0.964 126 Q CA 1.136 56.917 55.803 -0.037 0.000 0.855 126 Q CB 0.031 28.743 28.738 -0.043 0.000 0.918 126 Q HN 0.543 nan 8.270 nan 0.000 0.444 127 K N 0.264 120.645 120.400 -0.033 0.000 2.137 127 K HA 0.042 4.362 4.320 0.000 0.000 0.202 127 K C 0.409 176.998 176.600 -0.017 0.000 1.052 127 K CA 0.682 56.954 56.287 -0.025 0.000 0.961 127 K CB 0.183 32.667 32.500 -0.027 0.000 0.741 127 K HN 0.131 nan 8.250 nan 0.000 0.452 128 N N 0.223 118.913 118.700 -0.016 0.000 2.969 128 N HA -0.026 4.714 4.740 0.000 0.000 0.230 128 N C 0.423 175.931 175.510 -0.002 0.000 1.397 128 N CA 0.080 53.126 53.050 -0.007 0.000 0.762 128 N CB 0.685 39.171 38.487 -0.003 0.000 1.495 128 N HN -0.089 nan 8.380 nan 0.000 0.583 129 S N 1.357 117.055 115.700 -0.003 0.000 2.359 129 S HA -0.293 4.177 4.470 0.000 0.000 0.223 129 S C 1.543 176.159 174.600 0.027 0.000 1.039 129 S CA 1.545 59.748 58.200 0.005 0.000 1.042 129 S CB -0.364 62.837 63.200 0.002 0.000 0.915 129 S HN 0.736 nan 8.310 nan 0.000 0.439 130 E N 1.899 122.111 120.200 0.020 0.000 2.110 130 E HA -0.103 4.247 4.350 0.000 0.000 0.193 130 E C 2.051 178.681 176.600 0.051 0.000 0.988 130 E CA 0.999 57.416 56.400 0.028 0.000 0.804 130 E CB -0.567 29.136 29.700 0.005 0.000 0.745 130 E HN 0.689 nan 8.360 nan 0.000 0.458 131 A N -0.169 122.674 122.820 0.038 0.000 2.121 131 A HA -0.091 4.229 4.320 0.000 0.000 0.218 131 A C 2.084 179.703 177.584 0.059 0.000 1.154 131 A CA 1.595 53.658 52.037 0.044 0.000 0.679 131 A CB -0.326 18.690 19.000 0.027 0.000 0.795 131 A HN 0.300 nan 8.150 nan 0.000 0.458 132 T N -0.277 114.313 114.554 0.060 0.000 3.044 132 T HA 0.190 4.540 4.350 0.000 0.000 0.250 132 T C 1.610 176.388 174.700 0.129 0.000 1.081 132 T CA 0.082 62.220 62.100 0.063 0.000 1.040 132 T CB -0.133 68.743 68.868 0.013 0.000 0.962 132 T HN 0.336 nan 8.240 nan 0.000 0.506 133 L N 1.294 122.632 121.223 0.191 0.000 1.971 133 L HA -0.123 4.217 4.340 0.000 0.000 0.215 133 L C -0.515 176.549 176.870 0.323 0.000 1.072 133 L CA 1.926 56.979 54.840 0.355 0.000 0.758 133 L CB -1.519 40.812 42.059 0.453 0.000 0.889 133 L HN 0.166 nan 8.230 nan 0.000 0.433 134 P HA -0.247 nan 4.420 nan 0.000 0.216 134 P C 1.795 179.205 177.300 0.183 0.000 1.167 134 P CA 1.805 65.011 63.100 0.177 0.000 0.914 134 P CB -0.021 31.762 31.700 0.138 0.000 0.793 135 I N -1.151 119.523 120.570 0.173 0.000 2.226 135 I HA -0.268 3.902 4.170 0.000 0.000 0.245 135 I C 2.313 178.577 176.117 0.245 0.000 1.100 135 I CA 1.594 63.007 61.300 0.188 0.000 1.374 135 I CB -0.743 37.330 38.000 0.121 0.000 1.057 135 I HN -0.071 nan 8.210 nan 0.000 0.413 136 A N 0.192 123.149 122.820 0.229 0.000 1.930 136 A HA -0.115 4.205 4.320 0.000 0.000 0.217 136 A C 2.435 180.319 177.584 0.500 0.000 1.175 136 A CA 1.339 53.542 52.037 0.277 0.000 0.627 136 A CB -0.812 18.257 19.000 0.115 0.000 0.815 136 A HN 0.224 nan 8.150 nan 0.000 0.443 137 V N 0.091 120.273 119.914 0.447 0.000 2.261 137 V HA -0.277 3.843 4.120 0.000 0.000 0.246 137 V C 2.677 178.912 176.094 0.234 0.000 1.047 137 V CA 2.439 64.908 62.300 0.283 0.000 1.015 137 V CB -0.746 31.064 31.823 -0.020 0.000 0.642 137 V HN 0.720 nan 8.190 nan 0.000 0.446 138 R N -0.631 120.006 120.500 0.229 0.000 2.105 138 R HA -0.226 4.114 4.340 0.000 0.000 0.239 138 R C 2.170 178.671 176.300 0.335 0.000 1.135 138 R CA 2.139 58.376 56.100 0.228 0.000 0.967 138 R CB -0.497 29.939 30.300 0.227 0.000 0.861 138 R HN 0.487 nan 8.270 nan 0.000 0.442 139 F N 0.662 120.774 119.950 0.270 0.000 2.146 139 F HA 0.016 4.543 4.527 0.000 0.000 0.298 139 F C 2.053 177.999 175.800 0.242 0.000 1.096 139 F CA 1.338 59.532 58.000 0.323 0.000 1.275 139 F CB -0.516 38.615 39.000 0.218 0.000 1.008 139 F HN 0.119 nan 8.300 nan 0.000 0.480 140 A N 0.386 123.373 122.820 0.279 0.000 1.902 140 A HA -0.196 4.124 4.320 0.000 0.000 0.217 140 A C 2.242 179.825 177.584 -0.002 0.000 1.181 140 A CA 1.890 54.008 52.037 0.134 0.000 0.623 140 A CB -0.650 18.578 19.000 0.381 0.000 0.818 140 A HN 0.465 nan 8.150 nan 0.000 0.443 141 K N -0.992 119.435 120.400 0.046 0.000 2.057 141 K HA -0.069 4.251 4.320 0.000 0.000 0.206 141 K C 2.040 178.626 176.600 -0.022 0.000 1.050 141 K CA 1.659 57.949 56.287 0.004 0.000 0.935 141 K CB -0.394 32.119 32.500 0.020 0.000 0.715 141 K HN 0.423 nan 8.250 nan 0.000 0.439 142 T N 1.725 116.292 114.554 0.021 0.000 2.833 142 T HA -0.115 4.235 4.350 0.000 0.000 0.269 142 T C 1.660 176.295 174.700 -0.109 0.000 1.054 142 T CA 0.889 63.029 62.100 0.067 0.000 1.135 142 T CB -0.091 68.944 68.868 0.279 0.000 0.869 142 T HN 0.037 nan 8.240 nan 0.000 0.466 143 L N 0.592 121.574 121.223 -0.402 0.000 2.095 143 L HA 0.198 4.538 4.340 0.000 0.000 0.204 143 L C 2.087 178.730 176.870 -0.378 0.000 1.080 143 L CA 1.155 55.547 54.840 -0.747 0.000 0.759 143 L CB -0.729 40.819 42.059 -0.851 0.000 0.914 143 L HN 0.137 nan 8.230 nan 0.000 0.439 144 L N -0.084 121.008 121.223 -0.219 0.000 2.042 144 L HA -0.154 4.186 4.340 0.000 0.000 0.210 144 L C 2.462 179.269 176.870 -0.104 0.000 1.076 144 L CA 2.156 56.918 54.840 -0.130 0.000 0.749 144 L CB -1.027 40.986 42.059 -0.076 0.000 0.893 144 L HN 0.284 nan 8.230 nan 0.000 0.432 145 A N -0.999 121.770 122.820 -0.085 0.000 2.015 145 A HA -0.167 4.153 4.320 0.000 0.000 0.219 145 A C 1.324 178.890 177.584 -0.030 0.000 1.163 145 A CA 0.806 52.818 52.037 -0.042 0.000 0.646 145 A CB -1.013 17.979 19.000 -0.014 0.000 0.806 145 A HN 0.616 nan 8.150 nan 0.000 0.448 146 N N -0.364 118.301 118.700 -0.058 0.000 2.492 146 N HA 0.163 4.903 4.740 0.000 0.000 0.262 146 N C 0.611 176.118 175.510 -0.006 0.000 1.202 146 N CA 0.701 53.748 53.050 -0.005 0.000 0.926 146 N CB 0.708 39.174 38.487 -0.035 0.000 1.078 146 N HN 0.056 nan 8.380 nan 0.000 0.454 147 S N 0.268 115.988 115.700 0.033 0.000 2.526 147 S HA 0.128 4.598 4.470 0.000 0.000 0.220 147 S C 0.148 174.781 174.600 0.055 0.000 1.017 147 S CA -0.485 57.732 58.200 0.029 0.000 0.930 147 S CB 0.189 63.403 63.200 0.022 0.000 0.856 147 S HN 0.568 nan 8.310 nan 0.000 0.497 148 S N 4.024 119.773 115.700 0.082 0.000 2.537 148 S HA 0.077 4.547 4.470 0.000 0.000 0.280 148 S C -2.244 172.420 174.600 0.107 0.000 1.335 148 S CA -0.388 57.870 58.200 0.096 0.000 1.025 148 S CB -0.380 62.895 63.200 0.125 0.000 0.836 148 S HN 0.314 nan 8.310 nan 0.000 0.523 149 P HA 0.058 nan 4.420 nan 0.000 0.263 149 P C -0.247 177.150 177.300 0.161 0.000 1.195 149 P CA -0.262 62.907 63.100 0.115 0.000 0.762 149 P CB 0.086 31.835 31.700 0.082 0.000 0.799 150 F N 3.842 123.800 119.950 0.014 0.000 2.629 150 F HA 0.006 4.533 4.527 0.000 0.000 0.377 150 F C 0.697 176.510 175.800 0.022 0.000 1.101 150 F CA 0.456 58.462 58.000 0.011 0.000 1.301 150 F CB -0.006 38.991 39.000 -0.005 0.000 1.062 150 F HN 0.328 nan 8.300 nan 0.000 0.583 151 N N 4.490 122.775 118.700 -0.691 0.000 2.442 151 N HA 0.312 5.052 4.740 0.000 0.000 0.274 151 N C 0.240 175.214 175.510 -0.893 0.000 1.002 151 N CA -0.668 52.057 53.050 -0.543 0.000 0.910 151 N CB 1.418 39.758 38.487 -0.246 0.000 1.244 151 N HN 0.344 nan 8.380 nan 0.000 0.492 152 V N 2.753 122.315 119.914 -0.586 0.000 2.295 152 V HA -0.240 3.880 4.120 0.000 0.000 0.246 152 V C 1.140 177.118 176.094 -0.194 0.000 1.049 152 V CA 2.029 64.101 62.300 -0.381 0.000 1.024 152 V CB -0.652 31.114 31.823 -0.096 0.000 0.648 152 V HN 0.709 nan 8.190 nan 0.000 0.447 153 D N 0.156 120.507 120.400 -0.081 0.000 2.116 153 D HA -0.182 4.458 4.640 0.000 0.000 0.193 153 D C 2.215 178.598 176.300 0.139 0.000 0.998 153 D CA 2.050 56.109 54.000 0.098 0.000 0.836 153 D CB -0.616 40.286 40.800 0.171 0.000 0.951 153 D HN 0.386 nan 8.370 nan 0.000 0.449 154 T N -0.422 114.197 114.554 0.108 0.000 2.777 154 T HA -0.058 4.292 4.350 0.000 0.000 0.266 154 T C 2.091 176.785 174.700 -0.010 0.000 1.040 154 T CA 1.339 63.514 62.100 0.125 0.000 1.141 154 T CB -0.769 68.183 68.868 0.141 0.000 0.868 154 T HN 0.326 nan 8.240 nan 0.000 0.444 155 G N 1.151 109.871 108.800 -0.135 0.000 2.418 155 G HA2 -0.054 3.906 3.960 0.000 0.000 0.217 155 G HA3 -0.054 3.906 3.960 0.000 0.000 0.217 155 G C 1.823 176.747 174.900 0.039 0.000 1.158 155 G CA 0.902 46.022 45.100 0.033 0.000 0.771 155 G HN 0.573 nan 8.290 nan 0.000 0.545 156 A N 0.588 123.398 122.820 -0.017 0.000 1.877 156 A HA 0.008 4.328 4.320 0.000 0.000 0.216 156 A C 2.442 179.984 177.584 -0.070 0.000 1.186 156 A CA 2.033 54.044 52.037 -0.043 0.000 0.620 156 A CB -0.349 18.619 19.000 -0.054 0.000 0.822 156 A HN 0.284 nan 8.150 nan 0.000 0.443 157 M N -0.352 119.180 119.600 -0.114 0.000 2.117 157 M HA -0.097 4.383 4.480 0.000 0.000 0.262 157 M C 2.489 178.740 176.300 -0.083 0.000 1.065 157 M CA 1.575 56.771 55.300 -0.173 0.000 1.114 157 M CB -1.579 30.754 32.600 -0.445 0.000 1.361 157 M HN 0.490 nan 8.290 nan 0.000 0.408 158 A N -0.220 122.600 122.820 -0.000 0.000 1.972 158 A HA -0.152 4.168 4.320 0.000 0.000 0.219 158 A C 2.336 179.959 177.584 0.066 0.000 1.169 158 A CA 2.348 54.454 52.037 0.114 0.000 0.635 158 A CB -1.072 18.035 19.000 0.179 0.000 0.810 158 A HN 0.579 nan 8.150 nan 0.000 0.446 159 T N -1.282 113.283 114.554 0.018 0.000 2.904 159 T HA -0.021 4.329 4.350 0.000 0.000 0.267 159 T C 1.837 176.518 174.700 -0.033 0.000 1.059 159 T CA 1.283 63.378 62.100 -0.010 0.000 1.137 159 T CB -0.468 68.383 68.868 -0.027 0.000 0.879 159 T HN 0.325 nan 8.240 nan 0.000 0.467 160 L N 0.913 122.112 121.223 -0.040 0.000 2.017 160 L HA 0.020 4.360 4.340 0.000 0.000 0.208 160 L C 3.368 180.210 176.870 -0.046 0.000 1.073 160 L CA 1.486 56.303 54.840 -0.039 0.000 0.745 160 L CB -0.876 41.166 42.059 -0.028 0.000 0.894 160 L HN 0.408 nan 8.230 nan 0.000 0.432 161 A N -0.266 122.514 122.820 -0.067 0.000 1.877 161 A HA -0.194 4.126 4.320 0.000 0.000 0.216 161 A C 2.125 179.633 177.584 -0.126 0.000 1.186 161 A CA 1.497 53.464 52.037 -0.117 0.000 0.620 161 A CB -0.620 18.267 19.000 -0.188 0.000 0.822 161 A HN 0.263 nan 8.150 nan 0.000 0.443 162 L N -0.141 121.034 121.223 -0.080 0.000 2.141 162 L HA -0.079 4.261 4.340 0.000 0.000 0.209 162 L C 2.587 179.400 176.870 -0.096 0.000 1.094 162 L CA 2.256 57.016 54.840 -0.132 0.000 0.763 162 L CB -1.513 40.536 42.059 -0.016 0.000 0.908 162 L HN 0.375 nan 8.230 nan 0.000 0.437 163 T N -2.055 112.471 114.554 -0.046 0.000 2.867 163 T HA -0.196 4.154 4.350 0.000 0.000 0.268 163 T C 2.080 176.812 174.700 0.053 0.000 1.057 163 T CA 1.233 63.336 62.100 0.005 0.000 1.136 163 T CB -0.529 68.326 68.868 -0.023 0.000 0.874 163 T HN 0.481 nan 8.240 nan 0.000 0.466 164 c N 1.789 120.382 118.600 -0.012 0.000 2.436 164 c HA -0.056 4.514 4.570 0.000 0.000 0.277 164 c C 2.647 176.729 174.090 -0.013 0.000 1.241 164 c CA 0.595 56.916 56.329 -0.012 0.000 1.721 164 c CB -1.135 41.347 42.510 -0.046 0.000 2.043 164 c HN 0.397 nan 8.230 nan 0.000 0.472 165 M N -0.309 119.230 119.600 -0.102 0.000 2.117 165 M HA -0.093 4.387 4.480 0.000 0.000 0.262 165 M C 2.077 178.401 176.300 0.040 0.000 1.065 165 M CA 1.718 56.932 55.300 -0.144 0.000 1.114 165 M CB -1.906 30.358 32.600 -0.560 0.000 1.361 165 M HN 0.678 nan 8.290 nan 0.000 0.408 166 Y N 2.010 122.280 120.300 -0.050 0.000 2.193 166 Y HA -0.233 4.317 4.550 0.000 0.000 0.285 166 Y C 1.834 177.799 175.900 0.108 0.000 1.166 166 Y CA 1.686 59.874 58.100 0.146 0.000 1.181 166 Y CB -0.261 38.266 38.460 0.111 0.000 0.976 166 Y HN 0.324 nan 8.280 nan 0.000 0.520 167 N N -0.207 118.591 118.700 0.163 0.000 2.336 167 N HA -0.018 4.722 4.740 0.000 0.000 0.189 167 N C 0.029 175.541 175.510 0.004 0.000 1.113 167 N CA 0.546 53.630 53.050 0.058 0.000 0.858 167 N CB 0.220 38.774 38.487 0.112 0.000 0.970 167 N HN 0.256 nan 8.380 nan 0.000 0.471 168 K N 1.095 121.502 120.400 0.012 0.000 3.045 168 K HA 0.257 4.577 4.320 0.000 0.000 0.211 168 K C -0.247 176.351 176.600 -0.003 0.000 1.141 168 K CA -0.438 55.849 56.287 -0.000 0.000 1.036 168 K CB 0.782 33.286 32.500 0.006 0.000 0.851 168 K HN -0.042 nan 8.250 nan 0.000 0.462 169 I N 3.297 123.851 120.570 -0.026 0.000 2.494 169 I HA 0.077 4.247 4.170 0.000 0.000 0.289 169 I C -1.971 174.093 176.117 -0.089 0.000 1.106 169 I CA -2.518 58.749 61.300 -0.054 0.000 1.369 169 I CB -0.400 37.550 38.000 -0.084 0.000 1.410 169 I HN -0.112 nan 8.210 nan 0.000 0.523 170 P HA -0.003 nan 4.420 nan 0.000 0.262 170 P C -0.097 177.143 177.300 -0.101 0.000 1.182 170 P CA -0.144 62.898 63.100 -0.098 0.000 0.761 170 P CB 0.350 31.982 31.700 -0.114 0.000 0.795 171 V N 3.631 123.503 119.914 -0.070 0.000 2.617 171 V HA 0.202 4.322 4.120 0.000 0.000 0.304 171 V C 1.692 177.750 176.094 -0.060 0.000 1.040 171 V CA 2.097 64.361 62.300 -0.059 0.000 1.149 171 V CB -0.093 31.705 31.823 -0.042 0.000 0.914 171 V HN 1.062 nan 8.190 nan 0.000 0.487 172 G N 4.607 113.372 108.800 -0.058 0.000 2.454 172 G HA2 -0.286 3.674 3.960 0.000 0.000 0.225 172 G HA3 -0.286 3.674 3.960 0.000 0.000 0.225 172 G C 0.849 175.710 174.900 -0.065 0.000 1.138 172 G CA 0.319 45.389 45.100 -0.050 0.000 0.667 172 G HN 1.035 nan 8.290 nan 0.000 0.512 173 S N 2.187 117.826 115.700 -0.102 0.000 3.517 173 S HA 0.422 4.893 4.470 0.000 0.000 0.284 173 S C 0.625 175.115 174.600 -0.183 0.000 1.260 173 S CA 0.245 58.353 58.200 -0.154 0.000 0.975 173 S CB -0.079 62.981 63.200 -0.233 0.000 1.540 173 S HN 0.361 nan 8.310 nan 0.000 0.506 174 E N 2.833 122.976 120.200 -0.094 0.000 2.405 174 E HA 0.093 4.443 4.350 0.000 0.000 0.214 174 E C -0.556 176.048 176.600 0.007 0.000 1.101 174 E CA -0.110 56.254 56.400 -0.060 0.000 1.254 174 E CB 0.162 29.840 29.700 -0.036 0.000 1.240 174 E HN 0.665 nan 8.360 nan 0.000 0.439 175 E N 0.305 120.551 120.200 0.078 0.000 2.110 175 E HA 0.292 4.642 4.350 0.000 0.000 0.300 175 E C 1.109 177.823 176.600 0.190 0.000 1.278 175 E CA 0.000 56.505 56.400 0.174 0.000 1.365 175 E CB 0.023 29.880 29.700 0.262 0.000 1.283 175 E HN 0.340 nan 8.360 nan 0.000 0.490 176 G N 0.365 109.220 108.800 0.090 0.000 2.205 176 G HA2 -0.437 3.523 3.960 0.000 0.000 0.269 176 G HA3 -0.437 3.523 3.960 0.000 0.000 0.269 176 G C 0.741 175.619 174.900 -0.037 0.000 0.977 176 G CA 0.808 45.921 45.100 0.021 0.000 0.652 176 G HN 0.481 nan 8.290 nan 0.000 0.539 177 Y N 0.037 120.201 120.300 -0.227 0.000 2.128 177 Y HA -0.100 4.450 4.550 0.000 0.000 0.284 177 Y C 2.906 178.485 175.900 -0.534 0.000 1.154 177 Y CA 2.050 59.857 58.100 -0.488 0.000 1.149 177 Y CB -0.470 37.809 38.460 -0.302 0.000 0.976 177 Y HN 0.383 nan 8.280 nan 0.000 0.505 178 R N -0.340 120.167 120.500 0.011 0.000 2.081 178 R HA -0.181 4.159 4.340 0.000 0.000 0.235 178 R C 2.650 179.030 176.300 0.134 0.000 1.131 178 R CA 1.474 57.619 56.100 0.076 0.000 0.960 178 R CB -0.448 29.832 30.300 -0.033 0.000 0.856 178 R HN 0.303 nan 8.270 nan 0.000 0.436 179 S N 0.519 116.242 115.700 0.039 0.000 2.348 179 S HA -0.156 4.314 4.470 0.000 0.000 0.221 179 S C 1.977 176.591 174.600 0.022 0.000 1.033 179 S CA 1.275 59.501 58.200 0.044 0.000 1.010 179 S CB -0.382 62.820 63.200 0.004 0.000 0.891 179 S HN 0.438 nan 8.310 nan 0.000 0.442 180 L N -0.147 121.015 121.223 -0.101 0.000 1.971 180 L HA -0.133 4.207 4.340 0.000 0.000 0.215 180 L C 2.384 179.288 176.870 0.056 0.000 1.072 180 L CA 2.235 57.002 54.840 -0.121 0.000 0.758 180 L CB -0.657 41.197 42.059 -0.341 0.000 0.889 180 L HN 0.371 nan 8.230 nan 0.000 0.433 181 F N 0.035 120.071 119.950 0.145 0.000 2.095 181 F HA -0.117 4.410 4.527 0.000 0.000 0.298 181 F C 2.585 178.462 175.800 0.129 0.000 1.104 181 F CA 1.009 59.111 58.000 0.171 0.000 1.232 181 F CB -1.832 37.335 39.000 0.278 0.000 0.987 181 F HN 0.100 nan 8.300 nan 0.000 0.475 182 G N -1.011 108.024 108.800 0.392 0.000 2.440 182 G HA2 -0.311 3.649 3.960 0.000 0.000 0.218 182 G HA3 -0.311 3.649 3.960 0.000 0.000 0.218 182 G C 1.585 176.524 174.900 0.066 0.000 1.154 182 G CA 0.999 46.193 45.100 0.158 0.000 0.767 182 G HN 0.292 nan 8.290 nan 0.000 0.552 183 Q N 0.301 120.152 119.800 0.085 0.000 2.050 183 Q HA -0.046 4.294 4.340 0.000 0.000 0.202 183 Q C 2.718 178.728 176.000 0.017 0.000 0.980 183 Q CA 1.508 57.331 55.803 0.035 0.000 0.840 183 Q CB -0.694 28.059 28.738 0.024 0.000 0.898 183 Q HN 0.277 nan 8.270 nan 0.000 0.424 184 V N 0.466 120.408 119.914 0.046 0.000 2.490 184 V HA -0.231 3.889 4.120 0.000 0.000 0.250 184 V C 2.242 178.337 176.094 0.003 0.000 1.061 184 V CA 1.444 63.757 62.300 0.022 0.000 1.064 184 V CB -0.523 31.338 31.823 0.062 0.000 0.670 184 V HN 0.312 nan 8.190 nan 0.000 0.461 185 L N -0.642 120.586 121.223 0.009 0.000 2.072 185 L HA -0.089 4.251 4.340 0.000 0.000 0.205 185 L C 2.674 179.506 176.870 -0.063 0.000 1.079 185 L CA 1.237 56.052 54.840 -0.040 0.000 0.752 185 L CB -0.552 41.445 42.059 -0.103 0.000 0.906 185 L HN 0.167 nan 8.230 nan 0.000 0.436 186 K N 0.322 120.687 120.400 -0.058 0.000 2.057 186 K HA -0.237 4.083 4.320 0.000 0.000 0.207 186 K C 1.679 178.235 176.600 -0.073 0.000 1.049 186 K CA 1.761 58.011 56.287 -0.060 0.000 0.931 186 K CB -0.308 32.168 32.500 -0.041 0.000 0.714 186 K HN 0.227 nan 8.250 nan 0.000 0.440 187 D N 0.245 120.602 120.400 -0.072 0.000 2.092 187 D HA -0.122 4.518 4.640 0.000 0.000 0.193 187 D C 2.027 178.238 176.300 -0.148 0.000 0.994 187 D CA 1.440 55.380 54.000 -0.099 0.000 0.828 187 D CB -0.036 40.714 40.800 -0.083 0.000 0.963 187 D HN 0.196 nan 8.370 nan 0.000 0.450 188 I N -0.310 120.194 120.570 -0.111 0.000 2.252 188 I HA -0.220 3.950 4.170 0.000 0.000 0.245 188 I C 2.353 178.394 176.117 -0.126 0.000 1.102 188 I CA 0.465 61.703 61.300 -0.104 0.000 1.385 188 I CB -0.153 37.856 38.000 0.016 0.000 1.064 188 I HN 0.001 nan 8.210 nan 0.000 0.414 189 V N 0.453 120.308 119.914 -0.098 0.000 2.332 189 V HA -0.259 3.861 4.120 0.000 0.000 0.248 189 V C 2.522 178.539 176.094 -0.128 0.000 1.055 189 V CA 1.702 63.942 62.300 -0.100 0.000 1.038 189 V CB -0.690 31.082 31.823 -0.086 0.000 0.651 189 V HN 0.387 nan 8.190 nan 0.000 0.450 190 E N 0.636 120.750 120.200 -0.143 0.000 2.058 190 E HA -0.208 4.142 4.350 0.000 0.000 0.194 190 E C 2.261 178.729 176.600 -0.221 0.000 0.997 190 E CA 1.396 57.707 56.400 -0.149 0.000 0.801 190 E CB -0.272 29.346 29.700 -0.136 0.000 0.746 190 E HN 0.617 nan 8.360 nan 0.000 0.450 191 K N -0.053 120.114 120.400 -0.389 0.000 2.217 191 K HA 0.017 4.337 4.320 0.000 0.000 0.202 191 K C 2.302 178.622 176.600 -0.466 0.000 1.051 191 K CA 0.539 56.417 56.287 -0.681 0.000 0.952 191 K CB 0.029 31.614 32.500 -1.525 0.000 0.736 191 K HN 0.113 nan 8.250 nan 0.000 0.453 192 I N 0.640 121.095 120.570 -0.192 0.000 2.233 192 I HA -0.159 4.011 4.170 0.000 0.000 0.243 192 I C 1.540 177.638 176.117 -0.031 0.000 1.093 192 I CA 0.303 61.647 61.300 0.074 0.000 1.380 192 I CB -0.051 37.965 38.000 0.027 0.000 1.067 192 I HN 0.023 nan 8.210 nan 0.000 0.413 193 S N 0.840 116.487 115.700 -0.090 0.000 2.580 193 S HA 0.050 4.520 4.470 0.000 0.000 0.266 193 S C 1.048 175.622 174.600 -0.042 0.000 1.354 193 S CA 0.340 58.500 58.200 -0.066 0.000 1.008 193 S CB 0.331 63.501 63.200 -0.050 0.000 0.898 193 S HN 0.456 nan 8.310 nan 0.000 0.555 194 M N 0.155 119.750 119.600 -0.009 0.000 2.943 194 M HA -0.159 4.321 4.480 0.000 0.000 0.198 194 M C -0.494 175.815 176.300 0.015 0.000 0.606 194 M CA 1.485 56.783 55.300 -0.004 0.000 0.744 194 M CB -1.578 31.003 32.600 -0.031 0.000 2.671 194 M HN 0.527 nan 8.290 nan 0.000 0.342 195 K N 0.943 121.361 120.400 0.030 0.000 2.477 195 K HA 0.537 4.857 4.320 0.000 0.000 0.208 195 K C 0.114 176.742 176.600 0.047 0.000 1.117 195 K CA 0.087 56.411 56.287 0.062 0.000 1.039 195 K CB 0.612 33.185 32.500 0.122 0.000 0.937 195 K HN 0.615 nan 8.250 nan 0.000 0.570 196 I N 3.007 123.599 120.570 0.037 0.000 2.347 196 I HA 0.016 4.186 4.170 0.000 0.000 0.294 196 I C 0.386 176.545 176.117 0.070 0.000 1.090 196 I CA -0.241 61.093 61.300 0.058 0.000 1.314 196 I CB 0.309 38.355 38.000 0.077 0.000 1.423 196 I HN -0.292 nan 8.210 nan 0.000 0.503 197 K N 4.194 124.635 120.400 0.068 0.000 2.187 197 K HA 0.042 4.362 4.320 0.000 0.000 0.247 197 K C 0.742 177.383 176.600 0.069 0.000 1.019 197 K CA 0.008 56.331 56.287 0.059 0.000 0.893 197 K CB 0.424 32.954 32.500 0.049 0.000 1.025 197 K HN 0.375 nan 8.250 nan 0.000 0.500 198 D N 0.133 120.565 120.400 0.053 0.000 2.234 198 D HA -0.120 4.520 4.640 0.000 0.000 0.205 198 D C 1.007 177.336 176.300 0.049 0.000 0.962 198 D CA 0.911 54.941 54.000 0.050 0.000 0.855 198 D CB -0.217 40.605 40.800 0.036 0.000 0.951 198 D HN 0.557 nan 8.370 nan 0.000 0.500 199 N N -0.011 118.717 118.700 0.047 0.000 2.453 199 N HA -0.027 4.713 4.740 0.000 0.000 0.183 199 N C 1.474 177.019 175.510 0.059 0.000 1.041 199 N CA 1.390 54.467 53.050 0.044 0.000 0.900 199 N CB -0.098 38.411 38.487 0.037 0.000 0.961 199 N HN 0.225 nan 8.380 nan 0.000 0.443 200 G N -0.612 108.237 108.800 0.082 0.000 2.284 200 G HA2 -0.198 3.762 3.960 0.000 0.000 0.201 200 G HA3 -0.198 3.762 3.960 0.000 0.000 0.201 200 G C 0.003 174.987 174.900 0.139 0.000 0.998 200 G CA -0.052 45.119 45.100 0.119 0.000 0.651 200 G HN 0.304 nan 8.290 nan 0.000 0.489 201 I N 1.740 122.366 120.570 0.094 0.000 2.892 201 I HA 0.270 4.440 4.170 0.000 0.000 0.287 201 I C 0.581 176.744 176.117 0.077 0.000 1.205 201 I CA 0.520 61.865 61.300 0.076 0.000 1.409 201 I CB 0.605 38.627 38.000 0.037 0.000 1.367 201 I HN 0.057 nan 8.210 nan 0.000 0.597 202 I N 4.666 125.270 120.570 0.056 0.000 2.466 202 I HA 0.329 4.499 4.170 0.000 0.000 0.279 202 I C 0.701 176.832 176.117 0.023 0.000 1.033 202 I CA -0.135 61.182 61.300 0.028 0.000 1.123 202 I CB 1.053 39.040 38.000 -0.021 0.000 1.237 202 I HN 0.947 nan 8.210 nan 0.000 0.460 203 G N 6.236 115.054 108.800 0.030 0.000 4.269 203 G HA2 -0.275 3.685 3.960 0.000 0.000 0.290 203 G HA3 -0.275 3.685 3.960 0.000 0.000 0.290 203 G C -0.371 174.536 174.900 0.011 0.000 1.570 203 G CA 0.585 45.700 45.100 0.026 0.000 1.072 203 G HN 0.782 nan 8.290 nan 0.000 0.681 204 D N -0.504 119.896 120.400 -0.001 0.000 2.626 204 D HA 0.588 5.228 4.640 0.000 0.000 0.278 204 D C 1.526 177.789 176.300 -0.061 0.000 1.211 204 D CA -0.136 53.843 54.000 -0.034 0.000 0.903 204 D CB 0.257 41.035 40.800 -0.037 0.000 1.408 204 D HN 1.024 nan 8.370 nan 0.000 0.454 205 I N -2.155 118.302 120.570 -0.189 0.000 2.208 205 I HA -0.217 3.953 4.170 0.000 0.000 0.245 205 I C 1.138 177.167 176.117 -0.147 0.000 1.097 205 I CA 1.040 62.191 61.300 -0.248 0.000 1.363 205 I CB -0.713 36.930 38.000 -0.596 0.000 1.051 205 I HN 0.270 nan 8.210 nan 0.000 0.413 206 Y N 1.677 122.042 120.300 0.108 0.000 2.578 206 Y HA 0.024 4.574 4.550 0.000 0.000 0.297 206 Y C 2.528 178.523 175.900 0.159 0.000 1.176 206 Y CA 0.386 58.594 58.100 0.179 0.000 1.315 206 Y CB -0.703 37.787 38.460 0.050 0.000 1.031 206 Y HN 0.431 nan 8.280 nan 0.000 0.524 207 S N -3.691 112.116 115.700 0.179 0.000 2.578 207 S HA 0.023 4.493 4.470 0.000 0.000 0.228 207 S C 1.549 176.204 174.600 0.093 0.000 1.022 207 S CA 0.242 58.518 58.200 0.127 0.000 0.967 207 S CB -0.400 62.832 63.200 0.053 0.000 0.914 207 S HN 0.197 nan 8.310 nan 0.000 0.515 208 T N 2.257 116.872 114.554 0.102 0.000 2.746 208 T HA 0.048 4.398 4.350 0.000 0.000 0.267 208 T C 2.017 176.754 174.700 0.062 0.000 1.039 208 T CA 1.612 63.758 62.100 0.077 0.000 1.142 208 T CB -1.030 67.900 68.868 0.104 0.000 0.866 208 T HN 0.596 nan 8.240 nan 0.000 0.444 209 G N 1.787 110.639 108.800 0.088 0.000 2.459 209 G HA2 -0.173 3.787 3.960 0.000 0.000 0.217 209 G HA3 -0.173 3.787 3.960 0.000 0.000 0.217 209 G C 1.478 176.361 174.900 -0.029 0.000 1.183 209 G CA 0.654 45.769 45.100 0.025 0.000 0.776 209 G HN 0.449 nan 8.290 nan 0.000 0.552 210 L N 0.687 121.904 121.223 -0.011 0.000 2.046 210 L HA -0.067 4.273 4.340 0.000 0.000 0.208 210 L C 3.428 180.242 176.870 -0.092 0.000 1.077 210 L CA 0.999 55.795 54.840 -0.074 0.000 0.747 210 L CB -0.486 41.572 42.059 -0.001 0.000 0.896 210 L HN 0.320 nan 8.230 nan 0.000 0.432 211 A N -0.108 122.671 122.820 -0.068 0.000 1.933 211 A HA -0.220 4.100 4.320 0.000 0.000 0.218 211 A C 2.311 179.770 177.584 -0.208 0.000 1.175 211 A CA 1.687 53.648 52.037 -0.126 0.000 0.628 211 A CB -0.456 18.477 19.000 -0.112 0.000 0.814 211 A HN 0.361 nan 8.150 nan 0.000 0.444 212 M N -1.054 118.468 119.600 -0.131 0.000 2.159 212 M HA -0.210 4.270 4.480 0.000 0.000 0.263 212 M C 2.418 178.670 176.300 -0.080 0.000 1.063 212 M CA 1.528 56.777 55.300 -0.085 0.000 1.110 212 M CB -0.442 32.205 32.600 0.078 0.000 1.374 212 M HN 0.492 nan 8.290 nan 0.000 0.411 213 Q N 0.160 119.896 119.800 -0.107 0.000 2.050 213 Q HA -0.139 4.201 4.340 0.000 0.000 0.202 213 Q C 2.348 178.282 176.000 -0.110 0.000 0.980 213 Q CA 1.683 57.416 55.803 -0.118 0.000 0.840 213 Q CB -0.293 28.317 28.738 -0.213 0.000 0.898 213 Q HN 0.588 nan 8.270 nan 0.000 0.424 214 A N 1.147 123.884 122.820 -0.137 0.000 1.865 214 A HA -0.188 4.132 4.320 0.000 0.000 0.217 214 A C 2.104 179.604 177.584 -0.141 0.000 1.191 214 A CA 1.300 53.263 52.037 -0.124 0.000 0.623 214 A CB -0.857 18.074 19.000 -0.115 0.000 0.826 214 A HN 0.300 nan 8.150 nan 0.000 0.444 215 L N 0.561 121.635 121.223 -0.248 0.000 2.131 215 L HA -0.169 4.171 4.340 0.000 0.000 0.210 215 L C 2.590 179.432 176.870 -0.046 0.000 1.092 215 L CA 1.515 56.176 54.840 -0.297 0.000 0.759 215 L CB -0.470 41.042 42.059 -0.911 0.000 0.903 215 L HN 0.541 nan 8.230 nan 0.000 0.435 216 S N -2.098 113.620 115.700 0.030 0.000 2.607 216 S HA 0.023 4.493 4.470 0.000 0.000 0.224 216 S C 1.429 176.062 174.600 0.056 0.000 0.969 216 S CA 0.121 58.397 58.200 0.127 0.000 0.927 216 S CB 0.419 63.703 63.200 0.140 0.000 0.772 216 S HN 0.203 nan 8.310 nan 0.000 0.533 217 V N 1.785 121.703 119.914 0.008 0.000 3.562 217 V HA 0.114 4.234 4.120 0.000 0.000 0.270 217 V C 0.696 176.776 176.094 -0.025 0.000 1.418 217 V CA 0.793 63.092 62.300 -0.002 0.000 1.033 217 V CB 0.262 32.076 31.823 -0.014 0.000 0.820 217 V HN 0.661 nan 8.190 nan 0.000 0.441 218 T N 0.477 115.001 114.554 -0.050 0.000 2.916 218 T HA 0.117 4.467 4.350 0.000 0.000 0.303 218 T C -0.891 173.754 174.700 -0.093 0.000 1.025 218 T CA -0.766 61.278 62.100 -0.092 0.000 1.142 218 T CB 0.775 69.584 68.868 -0.098 0.000 0.947 218 T HN 0.210 nan 8.240 nan 0.000 0.544 219 P HA -0.046 nan 4.420 nan 0.000 0.220 219 P C 0.265 177.517 177.300 -0.081 0.000 1.148 219 P CA 1.151 64.163 63.100 -0.146 0.000 0.803 219 P CB 0.238 31.678 31.700 -0.433 0.000 0.782 220 E N 1.126 121.262 120.200 -0.105 0.000 2.235 220 E HA 0.315 4.665 4.350 0.000 0.000 0.252 220 E C -2.456 174.122 176.600 -0.035 0.000 0.886 220 E CA -3.168 53.202 56.400 -0.050 0.000 0.767 220 E CB 1.175 30.844 29.700 -0.052 0.000 1.205 220 E HN 0.008 nan 8.360 nan 0.000 0.421 221 P HA 0.056 nan 4.420 nan 0.000 0.272 221 P C -0.417 176.883 177.300 0.001 0.000 1.254 221 P CA -0.353 62.755 63.100 0.013 0.000 0.795 221 P CB 0.613 32.343 31.700 0.050 0.000 1.022 222 S N -0.673 115.031 115.700 0.007 0.000 2.672 222 S HA 0.251 4.721 4.470 0.000 0.000 0.276 222 S C 1.198 175.806 174.600 0.013 0.000 1.207 222 S CA -0.726 57.470 58.200 -0.005 0.000 1.002 222 S CB 1.199 64.387 63.200 -0.020 0.000 0.998 222 S HN 0.255 nan 8.310 nan 0.000 0.542 223 K N 1.008 121.409 120.400 0.003 0.000 2.015 223 K HA -0.084 4.236 4.320 0.000 0.000 0.216 223 K C 0.748 177.362 176.600 0.022 0.000 1.052 223 K CA 1.457 57.750 56.287 0.009 0.000 0.937 223 K CB -0.552 31.948 32.500 0.001 0.000 0.719 223 K HN 0.724 nan 8.250 nan 0.000 0.446 224 K N 2.611 123.026 120.400 0.024 0.000 2.378 224 K HA -0.033 4.287 4.320 0.000 0.000 0.288 224 K C -0.202 176.441 176.600 0.072 0.000 1.057 224 K CA 0.092 56.403 56.287 0.040 0.000 0.971 224 K CB 0.375 32.896 32.500 0.036 0.000 0.975 224 K HN 0.100 nan 8.250 nan 0.000 0.475 225 E N 3.782 124.027 120.200 0.075 0.000 2.415 225 E HA -0.101 4.249 4.350 0.000 0.000 0.262 225 E C -1.256 175.452 176.600 0.180 0.000 1.038 225 E CA -0.289 56.174 56.400 0.105 0.000 0.921 225 E CB 0.488 30.223 29.700 0.058 0.000 0.950 225 E HN 0.489 nan 8.360 nan 0.000 0.438 226 W N 6.110 127.409 121.300 -0.002 0.000 2.329 226 W HA 0.285 4.945 4.660 0.000 0.000 0.312 226 W C -0.859 175.661 176.519 0.001 0.000 1.054 226 W CA -1.173 56.172 57.345 0.001 0.000 1.245 226 W CB 0.606 30.066 29.460 0.001 0.000 1.255 226 W HN 0.364 nan 8.180 nan 0.000 0.436 227 N N 5.825 124.348 118.700 -0.295 0.000 2.421 227 N HA -0.048 4.692 4.740 0.000 0.000 0.260 227 N C 1.073 176.030 175.510 -0.922 0.000 1.173 227 N CA 0.226 53.008 53.050 -0.447 0.000 0.960 227 N CB 0.603 38.984 38.487 -0.177 0.000 1.273 227 N HN 0.768 nan 8.380 nan 0.000 0.497 228 c N 4.404 122.255 118.600 -1.249 0.000 2.453 228 c HA -0.007 4.563 4.570 0.000 0.000 0.277 228 c C 2.570 176.354 174.090 -0.510 0.000 1.262 228 c CA 0.820 56.336 56.329 -1.355 0.000 1.718 228 c CB -0.608 41.149 42.510 -1.255 0.000 2.031 228 c HN 0.837 nan 8.230 nan 0.000 0.480 229 K N 0.744 120.934 120.400 -0.350 0.000 2.063 229 K HA -0.254 4.067 4.320 0.000 0.000 0.208 229 K C 2.158 178.688 176.600 -0.116 0.000 1.048 229 K CA 2.114 58.294 56.287 -0.179 0.000 0.928 229 K CB -0.325 32.092 32.500 -0.139 0.000 0.713 229 K HN 0.421 nan 8.250 nan 0.000 0.442 230 K N 0.527 120.852 120.400 -0.126 0.000 2.063 230 K HA -0.104 4.216 4.320 0.000 0.000 0.208 230 K C 1.805 178.407 176.600 0.004 0.000 1.048 230 K CA 2.295 58.553 56.287 -0.049 0.000 0.928 230 K CB -0.611 31.864 32.500 -0.040 0.000 0.713 230 K HN 0.157 nan 8.250 nan 0.000 0.442 231 T N -0.557 114.011 114.554 0.024 0.000 2.737 231 T HA -0.131 4.219 4.350 0.000 0.000 0.265 231 T C 1.797 176.553 174.700 0.093 0.000 1.038 231 T CA 1.840 64.018 62.100 0.131 0.000 1.144 231 T CB -0.644 68.429 68.868 0.341 0.000 0.866 231 T HN 0.582 nan 8.240 nan 0.000 0.434 232 T N 1.257 115.838 114.554 0.046 0.000 2.788 232 T HA -0.152 4.198 4.350 0.000 0.000 0.268 232 T C 1.557 176.273 174.700 0.027 0.000 1.044 232 T CA 1.569 63.690 62.100 0.033 0.000 1.139 232 T CB -0.515 68.354 68.868 0.002 0.000 0.867 232 T HN 0.172 nan 8.240 nan 0.000 0.454 233 D N 0.719 121.128 120.400 0.016 0.000 2.144 233 D HA -0.045 4.595 4.640 0.000 0.000 0.200 233 D C 2.032 178.358 176.300 0.043 0.000 0.978 233 D CA 0.850 54.863 54.000 0.021 0.000 0.833 233 D CB -0.434 40.370 40.800 0.007 0.000 0.961 233 D HN 0.350 nan 8.370 nan 0.000 0.470 234 M N 0.449 120.081 119.600 0.053 0.000 2.159 234 M HA -0.136 4.344 4.480 0.000 0.000 0.263 234 M C 1.601 177.963 176.300 0.103 0.000 1.063 234 M CA 1.017 56.359 55.300 0.070 0.000 1.110 234 M CB -0.213 32.431 32.600 0.073 0.000 1.374 234 M HN -0.071 nan 8.290 nan 0.000 0.411 235 I N 0.897 121.532 120.570 0.108 0.000 2.202 235 I HA -0.291 3.879 4.170 0.000 0.000 0.242 235 I C 2.462 178.663 176.117 0.139 0.000 1.091 235 I CA 1.089 62.476 61.300 0.145 0.000 1.368 235 I CB -1.329 36.708 38.000 0.062 0.000 1.058 235 I HN 0.342 nan 8.210 nan 0.000 0.410 236 L N 0.519 121.789 121.223 0.078 0.000 1.990 236 L HA -0.278 4.062 4.340 0.000 0.000 0.213 236 L C 2.324 179.255 176.870 0.102 0.000 1.072 236 L CA 1.517 56.400 54.840 0.071 0.000 0.755 236 L CB -0.982 41.103 42.059 0.043 0.000 0.889 236 L HN 0.297 nan 8.230 nan 0.000 0.432 237 N N -0.111 118.643 118.700 0.090 0.000 2.149 237 N HA -0.211 4.529 4.740 0.000 0.000 0.188 237 N C 1.859 177.437 175.510 0.113 0.000 1.019 237 N CA 1.210 54.310 53.050 0.084 0.000 0.857 237 N CB -0.259 38.265 38.487 0.063 0.000 0.997 237 N HN 0.261 nan 8.380 nan 0.000 0.426 238 E N 0.830 121.124 120.200 0.156 0.000 2.153 238 E HA 0.007 4.357 4.350 0.000 0.000 0.194 238 E C 2.000 178.747 176.600 0.244 0.000 0.988 238 E CA 0.415 56.916 56.400 0.168 0.000 0.811 238 E CB -0.226 29.601 29.700 0.211 0.000 0.746 238 E HN 0.403 nan 8.360 nan 0.000 0.466 239 I N 0.396 121.174 120.570 0.346 0.000 2.202 239 I HA -0.264 3.906 4.170 0.000 0.000 0.242 239 I C 1.918 178.156 176.117 0.200 0.000 1.091 239 I CA 1.132 62.647 61.300 0.358 0.000 1.368 239 I CB -0.183 37.963 38.000 0.243 0.000 1.058 239 I HN 0.003 nan 8.210 nan 0.000 0.410 240 K N 0.406 120.890 120.400 0.139 0.000 2.442 240 K HA -0.148 4.172 4.320 0.000 0.000 0.198 240 K C 1.430 178.080 176.600 0.082 0.000 1.044 240 K CA 0.734 57.078 56.287 0.095 0.000 0.948 240 K CB -0.057 32.486 32.500 0.071 0.000 0.762 240 K HN 0.337 nan 8.250 nan 0.000 0.472 241 Q N -0.492 119.361 119.800 0.089 0.000 2.280 241 Q HA 0.089 4.429 4.340 0.000 0.000 0.201 241 Q C 0.793 176.834 176.000 0.069 0.000 0.890 241 Q CA 0.426 56.266 55.803 0.062 0.000 0.947 241 Q CB 1.183 29.949 28.738 0.046 0.000 1.081 241 Q HN 0.497 nan 8.270 nan 0.000 0.502 242 G N 1.622 110.485 108.800 0.105 0.000 2.147 242 G HA2 -0.279 3.681 3.960 0.000 0.000 0.244 242 G HA3 -0.279 3.681 3.960 0.000 0.000 0.244 242 G C 0.967 175.978 174.900 0.185 0.000 1.005 242 G CA 0.480 45.660 45.100 0.134 0.000 0.713 242 G HN 0.162 nan 8.290 nan 0.000 0.515 243 K N -0.757 119.696 120.400 0.088 0.000 2.296 243 K HA 0.150 4.470 4.320 0.000 0.000 0.200 243 K C 0.706 177.193 176.600 -0.188 0.000 1.048 243 K CA 0.584 56.826 56.287 -0.075 0.000 0.966 243 K CB -0.013 32.271 32.500 -0.360 0.000 0.754 243 K HN 0.470 nan 8.250 nan 0.000 0.466 244 F N 1.212 121.291 119.950 0.214 0.000 2.701 244 F HA 0.145 4.672 4.527 0.000 0.000 0.315 244 F C 1.180 177.030 175.800 0.083 0.000 1.277 244 F CA -0.712 57.374 58.000 0.144 0.000 1.180 244 F CB -0.166 38.916 39.000 0.137 0.000 1.273 244 F HN 0.150 nan 8.300 nan 0.000 0.532 245 H N -2.774 116.408 119.070 0.185 0.000 2.547 245 H HA 0.109 4.665 4.556 0.000 0.000 0.272 245 H C 0.884 176.262 175.328 0.084 0.000 0.971 245 H CA -0.044 56.074 56.048 0.116 0.000 1.245 245 H CB 0.033 29.838 29.762 0.071 0.000 1.440 245 H HN 0.107 nan 8.280 nan 0.000 0.540 246 N N 2.975 121.472 118.700 -0.337 0.000 2.452 246 N HA -0.010 4.730 4.740 0.000 0.000 0.266 246 N C -1.433 174.001 175.510 -0.127 0.000 1.175 246 N CA -1.568 51.360 53.050 -0.203 0.000 0.945 246 N CB 1.249 39.601 38.487 -0.226 0.000 1.063 246 N HN 0.172 nan 8.380 nan 0.000 0.472 247 P HA -0.204 nan 4.420 nan 0.000 0.216 247 P C 1.416 178.581 177.300 -0.225 0.000 1.153 247 P CA 1.178 64.209 63.100 -0.114 0.000 0.858 247 P CB 0.210 31.860 31.700 -0.083 0.000 0.789 248 M N 1.295 120.643 119.600 -0.421 0.000 2.213 248 M HA -0.106 4.374 4.480 0.000 0.000 0.263 248 M C 2.117 177.971 176.300 -0.744 0.000 1.062 248 M CA 2.138 56.994 55.300 -0.741 0.000 1.105 248 M CB -1.352 30.403 32.600 -1.408 0.000 1.385 248 M HN -0.010 nan 8.290 nan 0.000 0.417 249 S N -0.527 114.842 115.700 -0.552 0.000 2.428 249 S HA -0.052 4.418 4.470 0.000 0.000 0.230 249 S C 1.936 176.594 174.600 0.097 0.000 1.014 249 S CA 1.153 59.342 58.200 -0.020 0.000 0.957 249 S CB -1.024 62.373 63.200 0.328 0.000 0.784 249 S HN 0.626 nan 8.310 nan 0.000 0.499 250 I N 2.164 122.732 120.570 -0.004 0.000 2.353 250 I HA -0.048 4.122 4.170 0.000 0.000 0.248 250 I C 3.053 179.122 176.117 -0.079 0.000 1.119 250 I CA 0.955 62.230 61.300 -0.042 0.000 1.417 250 I CB -0.646 37.341 38.000 -0.020 0.000 1.078 250 I HN 0.410 nan 8.210 nan 0.000 0.421 251 A N 0.361 123.123 122.820 -0.097 0.000 1.933 251 A HA -0.233 4.087 4.320 0.000 0.000 0.218 251 A C 2.201 179.776 177.584 -0.016 0.000 1.175 251 A CA 1.505 53.502 52.037 -0.066 0.000 0.628 251 A CB -0.504 18.436 19.000 -0.099 0.000 0.814 251 A HN 0.506 nan 8.150 nan 0.000 0.444 252 Q N -0.895 118.898 119.800 -0.012 0.000 2.451 252 Q HA 0.121 4.461 4.340 0.000 0.000 0.206 252 Q C 1.607 177.595 176.000 -0.020 0.000 0.947 252 Q CA 0.982 56.807 55.803 0.037 0.000 0.937 252 Q CB -0.038 28.789 28.738 0.148 0.000 1.025 252 Q HN 0.981 nan 8.270 nan 0.000 0.511 253 I N -4.580 115.940 120.570 -0.084 0.000 4.032 253 I HA 0.008 4.178 4.170 0.000 0.000 0.313 253 I C 1.903 177.938 176.117 -0.137 0.000 1.272 253 I CA -0.173 61.036 61.300 -0.152 0.000 1.307 253 I CB -0.148 37.635 38.000 -0.361 0.000 1.155 253 I HN 0.006 nan 8.210 nan 0.000 0.431 254 L N 2.087 123.239 121.223 -0.118 0.000 1.997 254 L HA -0.127 4.213 4.340 0.000 0.000 0.216 254 L C -0.116 176.713 176.870 -0.067 0.000 1.074 254 L CA 2.629 57.414 54.840 -0.091 0.000 0.763 254 L CB -1.374 40.641 42.059 -0.074 0.000 0.890 254 L HN 0.202 nan 8.230 nan 0.000 0.434 255 P HA -0.163 nan 4.420 nan 0.000 0.215 255 P C 1.821 179.091 177.300 -0.050 0.000 1.163 255 P CA 1.732 64.808 63.100 -0.041 0.000 0.894 255 P CB 0.072 31.743 31.700 -0.048 0.000 0.791 256 S N -0.838 114.824 115.700 -0.064 0.000 2.368 256 S HA -0.108 4.362 4.470 0.000 0.000 0.225 256 S C 1.778 176.363 174.600 -0.024 0.000 1.030 256 S CA 1.080 59.258 58.200 -0.036 0.000 0.999 256 S CB -1.168 62.016 63.200 -0.026 0.000 0.844 256 S HN 0.106 nan 8.310 nan 0.000 0.459 257 L N 0.602 121.799 121.223 -0.044 0.000 2.353 257 L HA -0.035 4.305 4.340 0.000 0.000 0.220 257 L C 1.866 178.719 176.870 -0.027 0.000 1.133 257 L CA 0.858 55.674 54.840 -0.039 0.000 0.798 257 L CB -0.263 41.759 42.059 -0.061 0.000 0.922 257 L HN 0.109 nan 8.230 nan 0.000 0.445 258 K N -0.005 120.377 120.400 -0.029 0.000 2.358 258 K HA 0.217 4.537 4.320 0.000 0.000 0.197 258 K C 1.036 177.628 176.600 -0.014 0.000 1.025 258 K CA 0.625 56.898 56.287 -0.023 0.000 1.104 258 K CB 0.736 33.216 32.500 -0.035 0.000 0.855 258 K HN 0.243 nan 8.250 nan 0.000 0.531 259 G N 2.427 111.221 108.800 -0.010 0.000 2.198 259 G HA2 -0.235 3.725 3.960 0.000 0.000 0.257 259 G HA3 -0.235 3.725 3.960 0.000 0.000 0.257 259 G C -0.100 174.800 174.900 -0.000 0.000 1.042 259 G CA 0.346 45.446 45.100 -0.001 0.000 0.791 259 G HN 0.133 nan 8.290 nan 0.000 0.502 260 K N -0.564 119.832 120.400 -0.007 0.000 2.433 260 K HA 0.878 5.198 4.320 0.000 0.000 0.252 260 K C 0.232 176.823 176.600 -0.014 0.000 1.015 260 K CA 0.062 56.349 56.287 -0.001 0.000 0.860 260 K CB 1.940 34.442 32.500 0.004 0.000 1.359 260 K HN 0.674 nan 8.250 nan 0.000 0.452 261 T N -3.060 111.495 114.554 0.002 0.000 2.787 261 T HA 0.317 4.667 4.350 0.000 0.000 0.297 261 T C 0.487 175.246 174.700 0.099 0.000 1.221 261 T CA -0.575 61.505 62.100 -0.033 0.000 1.006 261 T CB 0.254 69.090 68.868 -0.053 0.000 1.328 261 T HN 0.352 nan 8.240 nan 0.000 0.509 262 Y N 0.377 120.657 120.300 -0.033 0.000 2.465 262 Y HA 0.080 4.630 4.550 0.000 0.000 0.289 262 Y C 2.094 177.971 175.900 -0.039 0.000 1.150 262 Y CA 0.252 58.327 58.100 -0.040 0.000 1.293 262 Y CB -1.082 37.347 38.460 -0.051 0.000 0.977 262 Y HN 0.481 nan 8.280 nan 0.000 0.556 263 L N -0.573 120.723 121.223 0.121 0.000 2.395 263 L HA -0.115 4.225 4.340 0.000 0.000 0.218 263 L C 1.302 178.196 176.870 0.040 0.000 1.130 263 L CA 0.830 55.705 54.840 0.057 0.000 0.826 263 L CB -0.234 41.845 42.059 0.034 0.000 0.941 263 L HN 0.094 nan 8.230 nan 0.000 0.451 264 D N -0.537 119.892 120.400 0.048 0.000 2.348 264 D HA -0.050 4.590 4.640 0.000 0.000 0.211 264 D C 2.266 178.577 176.300 0.018 0.000 0.998 264 D CA 0.498 54.515 54.000 0.029 0.000 0.873 264 D CB 0.386 41.202 40.800 0.026 0.000 0.925 264 D HN 0.079 nan 8.370 nan 0.000 0.524 265 V N 1.926 121.853 119.914 0.022 0.000 2.317 265 V HA -0.226 3.894 4.120 0.000 0.000 0.251 265 V C -0.584 175.499 176.094 -0.018 0.000 1.065 265 V CA 1.900 64.196 62.300 -0.007 0.000 1.049 265 V CB -1.367 30.435 31.823 -0.035 0.000 0.651 265 V HN 0.160 nan 8.190 nan 0.000 0.450 266 P HA -0.097 nan 4.420 nan 0.000 0.223 266 P C 1.256 178.549 177.300 -0.012 0.000 1.151 266 P CA 0.939 64.029 63.100 -0.016 0.000 0.787 266 P CB -0.017 31.674 31.700 -0.014 0.000 0.788 267 Q N -1.326 118.470 119.800 -0.007 0.000 2.280 267 Q HA 0.099 4.439 4.340 0.000 0.000 0.202 267 Q C 0.024 176.019 176.000 -0.009 0.000 0.903 267 Q CA -0.020 55.779 55.803 -0.006 0.000 0.948 267 Q CB -0.296 28.442 28.738 -0.001 0.000 1.058 267 Q HN 0.047 nan 8.270 nan 0.000 0.493 268 V N 1.537 121.443 119.914 -0.014 0.000 2.585 268 V HA 0.010 4.130 4.120 0.000 0.000 0.296 268 V C 0.521 176.603 176.094 -0.019 0.000 1.035 268 V CA 0.364 62.653 62.300 -0.018 0.000 1.084 268 V CB 1.079 32.886 31.823 -0.026 0.000 0.953 268 V HN 0.162 nan 8.190 nan 0.000 0.483 269 T N 5.316 119.859 114.554 -0.018 0.000 2.780 269 T HA 0.264 4.614 4.350 0.000 0.000 0.294 269 T C -0.079 174.608 174.700 -0.021 0.000 0.949 269 T CA -0.217 61.873 62.100 -0.017 0.000 1.074 269 T CB 0.285 69.146 68.868 -0.013 0.000 0.910 269 T HN 0.777 nan 8.240 nan 0.000 0.501 270 c N 2.579 121.167 118.600 -0.021 0.000 2.358 270 c HA 0.639 5.209 4.570 0.000 0.000 0.342 270 c C 1.230 175.307 174.090 -0.020 0.000 1.234 270 c CA -0.410 55.904 56.329 -0.025 0.000 1.969 270 c CB 0.688 43.181 42.510 -0.027 0.000 2.346 270 c HN 1.058 nan 8.230 nan 0.000 0.525 271 S N 2.657 118.343 115.700 -0.023 0.000 3.791 271 S HA -0.111 4.359 4.470 0.000 0.000 0.393 271 S C -1.998 172.596 174.600 -0.011 0.000 0.936 271 S CA -0.574 57.616 58.200 -0.017 0.000 1.234 271 S CB -1.037 62.155 63.200 -0.014 0.000 0.891 271 S HN 0.825 nan 8.310 nan 0.000 0.519 272 P HA 0.174 nan 4.420 nan 0.000 0.265 272 P C 0.416 177.716 177.300 0.001 0.000 1.187 272 P CA -0.106 62.991 63.100 -0.005 0.000 0.766 272 P CB 0.424 32.121 31.700 -0.006 0.000 0.820 290 S N 0.613 116.322 115.700 0.016 0.000 4.400 290 S HA 0.876 5.346 4.470 0.000 0.000 0.209 290 S C 0.789 175.398 174.600 0.013 0.000 1.056 290 S CA 0.348 58.558 58.200 0.017 0.000 1.814 290 S CB 0.272 63.486 63.200 0.023 0.000 0.808 290 S HN 0.762 nan 8.310 nan 0.000 0.749 291 A N 0.482 123.312 122.820 0.017 0.000 2.763 291 A HA 0.128 4.448 4.320 0.000 0.000 0.309 291 A C 0.864 178.453 177.584 0.008 0.000 1.747 291 A CA 1.441 53.487 52.037 0.015 0.000 1.862 291 A CB -0.812 18.199 19.000 0.018 0.000 1.245 291 A HN 1.285 nan 8.150 nan 0.000 0.572 292 S N -0.977 114.727 115.700 0.006 0.000 6.434 292 S HA 0.175 4.645 4.470 0.000 0.000 0.095 292 S C 0.614 175.213 174.600 -0.002 0.000 1.248 292 S CA 0.150 58.350 58.200 0.001 0.000 1.312 292 S CB 0.279 63.477 63.200 -0.004 0.000 1.909 292 S HN 0.759 nan 8.310 nan 0.000 0.583 293 N N -0.152 118.543 118.700 -0.009 0.000 1.941 293 N HA 0.458 5.198 4.740 0.000 0.000 0.229 293 N C -0.947 174.546 175.510 -0.029 0.000 1.397 293 N CA 0.073 53.116 53.050 -0.013 0.000 0.824 293 N CB 1.566 40.046 38.487 -0.011 0.000 1.083 293 N HN 0.333 nan 8.380 nan 0.000 0.488 294 I N 1.318 121.865 120.570 -0.038 0.000 2.785 294 I HA 0.339 4.509 4.170 0.000 0.000 0.302 294 I C -0.512 175.564 176.117 -0.067 0.000 1.069 294 I CA -0.367 60.890 61.300 -0.072 0.000 1.045 294 I CB 2.429 40.398 38.000 -0.053 0.000 1.236 294 I HN -0.078 nan 8.210 nan 0.000 0.429 295 T N 3.529 118.011 114.554 -0.120 0.000 2.881 295 T HA 0.751 5.101 4.350 0.000 0.000 0.290 295 T C -0.885 173.802 174.700 -0.022 0.000 1.000 295 T CA -0.529 61.542 62.100 -0.048 0.000 0.978 295 T CB 1.454 70.318 68.868 -0.006 0.000 0.997 295 T HN 0.235 nan 8.240 nan 0.000 0.443 296 V N 3.719 123.656 119.914 0.039 0.000 2.769 296 V HA 0.620 4.740 4.120 0.000 0.000 0.312 296 V C -0.072 176.108 176.094 0.143 0.000 1.061 296 V CA -1.318 61.030 62.300 0.081 0.000 0.931 296 V CB 1.647 33.493 31.823 0.039 0.000 1.010 296 V HN 0.982 nan 8.190 nan 0.000 0.433 297 I N 2.900 123.586 120.570 0.193 0.000 2.307 297 I HA 0.421 4.591 4.170 0.000 0.000 0.289 297 I C -1.079 175.268 176.117 0.383 0.000 1.021 297 I CA -0.477 60.958 61.300 0.224 0.000 1.224 297 I CB 0.492 38.570 38.000 0.130 0.000 1.376 297 I HN 0.603 nan 8.210 nan 0.000 0.470 298 Y N 6.158 126.559 120.300 0.169 0.000 2.356 298 Y HA 0.509 5.059 4.550 0.000 0.000 0.334 298 Y C -0.240 175.748 175.900 0.146 0.000 0.958 298 Y CA -1.280 56.914 58.100 0.157 0.000 1.196 298 Y CB 1.225 39.762 38.460 0.128 0.000 1.137 298 Y HN 0.647 nan 8.280 nan 0.000 0.485 299 T N 7.041 121.618 114.554 0.039 0.000 2.829 299 T HA 0.621 4.971 4.350 0.000 0.000 0.282 299 T C -0.115 174.349 174.700 -0.394 0.000 0.990 299 T CA -0.671 61.353 62.100 -0.127 0.000 1.028 299 T CB 1.203 70.096 68.868 0.042 0.000 0.951 299 T HN 0.629 nan 8.240 nan 0.000 0.460 300 I N 0.260 120.614 120.570 -0.360 0.000 2.465 300 I HA 0.778 4.948 4.170 0.000 0.000 0.291 300 I C -1.086 174.951 176.117 -0.133 0.000 1.014 300 I CA -0.797 60.334 61.300 -0.281 0.000 1.093 300 I CB 2.024 39.861 38.000 -0.271 0.000 1.267 300 I HN 0.387 nan 8.210 nan 0.000 0.431 301 N N 4.408 123.103 118.700 -0.009 0.000 2.577 301 N HA 0.626 5.366 4.740 0.000 0.000 0.285 301 N C -1.767 173.788 175.510 0.074 0.000 1.309 301 N CA -0.775 52.227 53.050 -0.081 0.000 0.798 301 N CB 2.483 40.788 38.487 -0.304 0.000 1.463 301 N HN 0.989 nan 8.380 nan 0.000 0.518 302 N N -0.276 118.423 118.700 -0.003 0.000 3.171 302 N HA 0.228 4.968 4.740 0.000 0.000 0.239 302 N C -2.278 173.238 175.510 0.010 0.000 1.275 302 N CA -0.232 52.814 53.050 -0.006 0.000 0.920 302 N CB 0.858 39.334 38.487 -0.019 0.000 1.554 302 N HN 0.386 nan 8.380 nan 0.000 0.504 303 Q N 2.556 122.363 119.800 0.012 0.000 2.444 303 Q HA 0.538 4.878 4.340 0.000 0.000 0.239 303 Q C -1.390 174.618 176.000 0.013 0.000 0.853 303 Q CA -0.352 55.460 55.803 0.015 0.000 0.856 303 Q CB 1.673 30.414 28.738 0.004 0.000 1.413 303 Q HN 0.426 nan 8.270 nan 0.000 0.437 304 L N 0.227 121.456 121.223 0.010 0.000 2.780 304 L HA 0.487 4.827 4.340 0.000 0.000 0.265 304 L C 0.335 177.202 176.870 -0.006 0.000 1.003 304 L CA -0.656 54.186 54.840 0.004 0.000 1.056 304 L CB 1.259 43.333 42.059 0.024 0.000 1.605 304 L HN 0.538 nan 8.230 nan 0.000 0.354 305 R N 0.135 120.629 120.500 -0.011 0.000 0.783 305 R HA 0.088 4.428 4.340 0.000 0.000 0.060 305 R C 1.159 177.449 176.300 -0.015 0.000 0.533 305 R CA 0.724 56.808 56.100 -0.027 0.000 2.119 305 R CB -1.041 29.226 30.300 -0.056 0.000 0.516 305 R HN 0.804 nan 8.270 nan 0.000 0.787 306 G N 1.978 110.772 108.800 -0.011 0.000 3.386 306 G HA2 -0.057 3.903 3.960 0.000 0.000 0.197 306 G HA3 -0.057 3.903 3.960 0.000 0.000 0.197 306 G C 0.813 175.711 174.900 -0.002 0.000 1.127 306 G CA 0.726 45.827 45.100 0.001 0.000 1.316 306 G HN 0.475 nan 8.290 nan 0.000 0.549 307 V N -2.547 117.364 119.914 -0.005 0.000 0.693 307 V HA -0.396 3.724 4.120 0.000 0.000 0.092 307 V C 0.842 176.931 176.094 -0.008 0.000 0.769 307 V CA 2.294 64.591 62.300 -0.004 0.000 3.096 307 V CB -1.228 30.594 31.823 -0.001 0.000 0.185 307 V HN 1.981 nan 8.190 nan 0.000 0.064 308 E N -0.871 119.327 120.200 -0.002 0.000 2.264 308 E HA -0.178 4.172 4.350 0.000 0.000 0.223 308 E C -0.363 176.237 176.600 0.000 0.000 1.220 308 E CA 1.050 57.449 56.400 -0.002 0.000 0.692 308 E CB -1.774 27.919 29.700 -0.012 0.000 1.203 308 E HN 0.858 nan 8.360 nan 0.000 0.384 309 L N 1.597 122.829 121.223 0.014 0.000 2.417 309 L HA 0.516 4.856 4.340 0.000 0.000 0.268 309 L C 0.933 177.835 176.870 0.054 0.000 1.158 309 L CA -0.498 54.361 54.840 0.032 0.000 0.819 309 L CB 0.401 42.485 42.059 0.043 0.000 1.112 309 L HN 0.249 nan 8.230 nan 0.000 0.458 310 L N 1.740 123.012 121.223 0.081 0.000 2.183 310 L HA 0.649 4.989 4.340 0.000 0.000 0.253 310 L C -1.198 175.796 176.870 0.207 0.000 1.048 310 L CA -0.654 54.252 54.840 0.110 0.000 0.890 310 L CB 2.002 44.123 42.059 0.103 0.000 1.476 310 L HN 0.390 nan 8.230 nan 0.000 0.455 311 F N 1.458 121.395 119.950 -0.021 0.000 3.426 311 F HA 0.226 4.753 4.527 0.000 0.000 0.291 311 F C -1.751 174.003 175.800 -0.075 0.000 0.844 311 F CA -0.826 57.154 58.000 -0.034 0.000 1.567 311 F CB 0.002 38.988 39.000 -0.022 0.000 1.722 311 F HN 0.378 nan 8.300 nan 0.000 0.868 312 N N 3.853 122.672 118.700 0.198 0.000 2.478 312 N HA 0.389 5.129 4.740 0.000 0.000 0.291 312 N C -0.466 174.982 175.510 -0.103 0.000 1.090 312 N CA -0.466 52.586 53.050 0.003 0.000 0.911 312 N CB 2.355 40.734 38.487 -0.180 0.000 1.546 312 N HN 0.429 nan 8.380 nan 0.000 0.500 313 E N 0.938 121.114 120.200 -0.042 0.000 2.790 313 E HA 0.883 5.233 4.350 0.000 0.000 0.256 313 E C 0.351 176.878 176.600 -0.121 0.000 1.246 313 E CA -0.213 56.159 56.400 -0.046 0.000 1.041 313 E CB 0.603 30.323 29.700 0.034 0.000 1.272 313 E HN 0.770 nan 8.360 nan 0.000 0.603 314 T N -2.272 112.268 114.554 -0.023 0.000 2.800 314 T HA 0.574 4.924 4.350 0.000 0.000 0.327 314 T C -1.363 173.394 174.700 0.096 0.000 1.838 314 T CA -0.182 61.926 62.100 0.014 0.000 1.024 314 T CB -0.119 68.761 68.868 0.021 0.000 1.755 314 T HN 0.702 nan 8.240 nan 0.000 0.507 315 I N 0.138 120.765 120.570 0.096 0.000 2.466 315 I HA 0.941 5.111 4.170 0.000 0.000 0.289 315 I C -0.079 176.105 176.117 0.112 0.000 1.026 315 I CA -0.390 60.974 61.300 0.108 0.000 1.078 315 I CB 0.530 38.578 38.000 0.081 0.000 1.249 315 I HN 1.642 nan 8.210 nan 0.000 0.429 316 N N 2.688 121.458 118.700 0.116 0.000 2.370 316 N HA 0.946 5.686 4.740 0.000 0.000 0.303 316 N C -0.402 175.141 175.510 0.054 0.000 1.103 316 N CA -0.045 53.060 53.050 0.093 0.000 0.848 316 N CB 1.879 40.426 38.487 0.100 0.000 1.235 316 N HN 2.253 nan 8.380 nan 0.000 0.496 317 V N 0.898 120.837 119.914 0.043 0.000 2.270 317 V HA 0.625 4.745 4.120 0.000 0.000 0.263 317 V C 0.449 176.550 176.094 0.012 0.000 1.066 317 V CA -0.584 61.730 62.300 0.023 0.000 0.857 317 V CB -0.183 31.656 31.823 0.026 0.000 1.099 317 V HN 0.701 nan 8.190 nan 0.000 0.476 318 S N 2.957 118.656 115.700 -0.002 0.000 2.608 318 S HA 0.742 5.212 4.470 0.000 0.000 0.291 318 S C 0.434 175.025 174.600 -0.017 0.000 1.146 318 S CA -0.027 58.166 58.200 -0.012 0.000 1.043 318 S CB 2.135 65.321 63.200 -0.025 0.000 1.037 318 S HN 1.698 nan 8.310 nan 0.000 0.520 319 V N 1.157 121.061 119.914 -0.016 0.000 3.747 319 V HA 0.334 4.454 4.120 0.000 0.000 0.299 319 V C 1.841 177.922 176.094 -0.023 0.000 1.103 319 V CA 0.598 62.888 62.300 -0.017 0.000 1.154 319 V CB -1.040 30.773 31.823 -0.016 0.000 1.127 319 V HN 1.090 nan 8.190 nan 0.000 0.482 320 K N 1.062 121.450 120.400 -0.020 0.000 2.635 320 K HA -0.165 4.155 4.320 0.000 0.000 0.203 320 K C 1.369 177.955 176.600 -0.024 0.000 0.873 320 K CA 4.349 60.624 56.287 -0.020 0.000 0.919 320 K CB -1.916 30.572 32.500 -0.021 0.000 1.309 320 K HN 3.092 nan 8.250 nan 0.000 0.542 321 S N -4.559 111.122 115.700 -0.033 0.000 2.799 321 S HA 0.578 5.048 4.470 0.000 0.000 0.267 321 S C 0.650 175.219 174.600 -0.052 0.000 0.736 321 S CA 0.491 58.666 58.200 -0.042 0.000 1.070 321 S CB -0.743 62.441 63.200 -0.028 0.000 1.339 321 S HN 2.304 nan 8.310 nan 0.000 0.507 322 G N 0.875 109.632 108.800 -0.072 0.000 2.680 322 G HA2 0.340 4.300 3.960 0.000 0.000 0.222 322 G HA3 0.340 4.300 3.960 0.000 0.000 0.222 322 G C 0.662 175.521 174.900 -0.070 0.000 1.460 322 G CA 0.595 45.653 45.100 -0.070 0.000 1.275 322 G HN 2.231 nan 8.290 nan 0.000 0.506 323 S N 1.823 117.492 115.700 -0.052 0.000 4.212 323 S HA 0.143 4.613 4.470 0.000 0.000 0.377 323 S C 1.356 175.921 174.600 -0.058 0.000 0.564 323 S CA 0.785 58.957 58.200 -0.046 0.000 1.469 323 S CB -1.536 61.641 63.200 -0.037 0.000 1.665 323 S HN 2.002 nan 8.310 nan 0.000 0.397 324 V N 3.531 123.411 119.914 -0.056 0.000 3.531 324 V HA -0.098 4.022 4.120 0.000 0.000 0.289 324 V C 1.687 177.747 176.094 -0.057 0.000 1.253 324 V CA 0.158 62.425 62.300 -0.055 0.000 1.362 324 V CB 0.159 31.963 31.823 -0.031 0.000 1.054 324 V HN 0.682 nan 8.190 nan 0.000 0.514 325 L N 0.967 122.169 121.223 -0.034 0.000 2.450 325 L HA -0.059 4.281 4.340 0.000 0.000 0.224 325 L C 1.902 178.693 176.870 -0.132 0.000 1.149 325 L CA 1.939 56.747 54.840 -0.054 0.000 0.816 325 L CB -0.758 41.323 42.059 0.036 0.000 0.932 325 L HN 0.913 nan 8.230 nan 0.000 0.449 326 L N -0.938 120.227 121.223 -0.097 0.000 2.313 326 L HA -0.068 4.272 4.340 0.000 0.000 0.214 326 L C 2.230 179.071 176.870 -0.048 0.000 1.119 326 L CA 1.125 55.918 54.840 -0.079 0.000 0.809 326 L CB -0.302 41.744 42.059 -0.021 0.000 0.933 326 L HN -0.011 nan 8.230 nan 0.000 0.449 327 V N -1.300 118.586 119.914 -0.048 0.000 2.427 327 V HA -0.231 3.889 4.120 0.000 0.000 0.248 327 V C 2.457 178.522 176.094 -0.048 0.000 1.051 327 V CA 1.513 63.796 62.300 -0.028 0.000 1.048 327 V CB -0.337 31.470 31.823 -0.027 0.000 0.666 327 V HN 0.323 nan 8.190 nan 0.000 0.456 328 V N 0.389 120.247 119.914 -0.094 0.000 2.287 328 V HA -0.295 3.825 4.120 0.000 0.000 0.248 328 V C 2.295 178.287 176.094 -0.169 0.000 1.053 328 V CA 2.247 64.475 62.300 -0.121 0.000 1.027 328 V CB -0.711 30.999 31.823 -0.189 0.000 0.646 328 V HN 0.473 nan 8.190 nan 0.000 0.447 329 L N -0.496 120.542 121.223 -0.308 0.000 2.141 329 L HA -0.144 4.196 4.340 0.000 0.000 0.209 329 L C 2.505 179.227 176.870 -0.248 0.000 1.094 329 L CA 1.538 56.098 54.840 -0.466 0.000 0.763 329 L CB -0.829 40.721 42.059 -0.849 0.000 0.908 329 L HN 0.395 nan 8.230 nan 0.000 0.437 330 E N 0.097 120.296 120.200 -0.001 0.000 2.047 330 E HA -0.177 4.173 4.350 0.000 0.000 0.191 330 E C 2.180 178.822 176.600 0.070 0.000 0.987 330 E CA 0.804 57.295 56.400 0.152 0.000 0.799 330 E CB 0.049 29.822 29.700 0.121 0.000 0.752 330 E HN 0.383 nan 8.360 nan 0.000 0.449 331 E N 0.580 120.800 120.200 0.032 0.000 2.106 331 E HA -0.138 4.212 4.350 0.000 0.000 0.192 331 E C 2.049 178.687 176.600 0.064 0.000 0.984 331 E CA 0.903 57.330 56.400 0.044 0.000 0.806 331 E CB -0.196 29.528 29.700 0.040 0.000 0.750 331 E HN 0.211 nan 8.360 nan 0.000 0.458 332 A N 1.133 123.986 122.820 0.054 0.000 1.978 332 A HA -0.234 4.086 4.320 0.000 0.000 0.220 332 A C 2.113 179.678 177.584 -0.033 0.000 1.170 332 A CA 1.753 53.865 52.037 0.124 0.000 0.636 332 A CB -0.498 18.605 19.000 0.173 0.000 0.810 332 A HN 0.261 nan 8.150 nan 0.000 0.448 333 Q N -1.174 118.555 119.800 -0.119 0.000 2.311 333 Q HA -0.127 4.213 4.340 0.000 0.000 0.203 333 Q C 2.136 178.161 176.000 0.042 0.000 0.954 333 Q CA 0.989 56.749 55.803 -0.071 0.000 0.885 333 Q CB 0.010 28.798 28.738 0.084 0.000 0.963 333 Q HN 0.497 nan 8.270 nan 0.000 0.471 334 R N 1.085 121.621 120.500 0.060 0.000 2.062 334 R HA -0.047 4.293 4.340 0.000 0.000 0.231 334 R C 1.707 178.056 176.300 0.081 0.000 1.136 334 R CA 1.756 57.894 56.100 0.063 0.000 0.948 334 R CB -0.073 30.260 30.300 0.056 0.000 0.845 334 R HN 0.114 nan 8.270 nan 0.000 0.430 335 K N -0.162 120.305 120.400 0.111 0.000 2.362 335 K HA -0.129 4.191 4.320 0.000 0.000 0.202 335 K C 0.777 177.456 176.600 0.132 0.000 1.045 335 K CA 1.080 57.441 56.287 0.124 0.000 0.936 335 K CB -0.588 32.011 32.500 0.164 0.000 0.747 335 K HN 0.620 nan 8.250 nan 0.000 0.467 336 N N 0.236 119.023 118.700 0.145 0.000 2.714 336 N HA -0.141 4.599 4.740 0.000 0.000 0.250 336 N C -1.857 173.762 175.510 0.182 0.000 1.117 336 N CA 0.918 54.050 53.050 0.138 0.000 0.719 336 N CB -2.564 35.974 38.487 0.086 0.000 1.081 336 N HN 0.198 nan 8.380 nan 0.000 0.557 337 P HA 0.138 nan 4.420 nan 0.000 0.301 337 P C 1.154 178.611 177.300 0.263 0.000 1.560 337 P CA 0.618 63.842 63.100 0.207 0.000 0.784 337 P CB -0.394 31.354 31.700 0.080 0.000 1.715 338 M N -2.151 117.583 119.600 0.223 0.000 2.826 338 M HA -0.263 4.218 4.480 0.000 0.000 0.156 338 M C -0.270 176.168 176.300 0.230 0.000 0.684 338 M CA 1.166 56.569 55.300 0.172 0.000 0.593 338 M CB -1.189 31.478 32.600 0.111 0.000 2.167 338 M HN 0.129 nan 8.290 nan 0.000 0.277 339 F N 3.349 123.307 119.950 0.014 0.000 2.661 339 F HA 0.480 5.007 4.527 0.000 0.000 0.356 339 F C 0.417 176.241 175.800 0.041 0.000 1.244 339 F CA -0.996 57.001 58.000 -0.006 0.000 1.290 339 F CB -0.416 38.548 39.000 -0.060 0.000 1.677 339 F HN 0.003 nan 8.300 nan 0.000 0.649 340 K N 2.553 122.943 120.400 -0.016 0.000 2.520 340 K HA 0.648 4.968 4.320 0.000 0.000 0.256 340 K C -0.852 175.847 176.600 0.165 0.000 1.033 340 K CA -0.172 56.135 56.287 0.033 0.000 1.007 340 K CB 1.098 33.628 32.500 0.050 0.000 1.330 340 K HN 0.475 nan 8.250 nan 0.000 0.507 341 F N -2.518 117.343 119.950 -0.149 0.000 2.831 341 F HA 0.602 5.129 4.527 0.000 0.000 0.318 341 F C -1.378 174.380 175.800 -0.069 0.000 1.174 341 F CA -1.186 56.738 58.000 -0.128 0.000 0.918 341 F CB 0.804 39.702 39.000 -0.169 0.000 1.364 341 F HN 0.582 nan 8.300 nan 0.000 0.475 342 E N -0.140 119.999 120.200 -0.101 0.000 2.312 342 E HA 0.581 4.931 4.350 0.000 0.000 0.267 342 E C -1.532 175.008 176.600 -0.100 0.000 0.894 342 E CA -1.210 55.078 56.400 -0.187 0.000 0.773 342 E CB 2.546 32.222 29.700 -0.038 0.000 1.241 342 E HN 0.723 nan 8.360 nan 0.000 0.432 343 T N 0.545 115.020 114.554 -0.132 0.000 2.876 343 T HA 0.405 4.755 4.350 0.000 0.000 0.289 343 T C -1.248 173.452 174.700 -0.000 0.000 1.014 343 T CA -0.414 61.669 62.100 -0.028 0.000 0.986 343 T CB 1.635 70.464 68.868 -0.065 0.000 1.021 343 T HN 0.375 nan 8.240 nan 0.000 0.458 344 T N 4.884 119.462 114.554 0.040 0.000 2.824 344 T HA 0.552 4.902 4.350 0.000 0.000 0.282 344 T C -0.236 174.478 174.700 0.024 0.000 0.993 344 T CA -0.850 61.276 62.100 0.043 0.000 0.967 344 T CB 0.700 69.612 68.868 0.072 0.000 0.960 344 T HN 0.466 nan 8.240 nan 0.000 0.441 345 M N 4.326 123.941 119.600 0.024 0.000 2.217 345 M HA 0.380 4.860 4.480 0.000 0.000 0.354 345 M C 0.607 176.814 176.300 -0.155 0.000 1.225 345 M CA 0.248 55.536 55.300 -0.020 0.000 1.137 345 M CB 0.590 33.229 32.600 0.065 0.000 1.576 345 M HN 1.011 nan 8.290 nan 0.000 0.461 346 T N -1.117 113.208 114.554 -0.381 0.000 2.681 346 T HA 0.388 4.738 4.350 0.000 0.000 0.296 346 T C 0.854 175.012 174.700 -0.904 0.000 1.157 346 T CA -0.120 61.556 62.100 -0.707 0.000 1.025 346 T CB 0.727 69.456 68.868 -0.232 0.000 1.441 346 T HN 0.581 nan 8.240 nan 0.000 0.504 347 S N -1.298 113.968 115.700 -0.724 0.000 2.469 347 S HA -0.059 4.411 4.470 0.000 0.000 0.238 347 S C 1.009 175.434 174.600 -0.291 0.000 0.998 347 S CA 0.461 58.432 58.200 -0.382 0.000 0.957 347 S CB -0.758 62.368 63.200 -0.122 0.000 0.764 347 S HN 0.751 nan 8.310 nan 0.000 0.514 348 W N 1.569 122.736 121.300 -0.221 0.000 3.103 348 W HA 0.525 5.185 4.660 0.000 0.000 0.325 348 W C 1.297 177.718 176.519 -0.164 0.000 1.170 348 W CA 0.612 57.855 57.345 -0.170 0.000 1.712 348 W CB 0.631 29.989 29.460 -0.171 0.000 1.068 348 W HN 0.657 nan 8.180 nan 0.000 0.592 349 G N -0.219 108.581 108.800 0.001 0.000 2.280 349 G HA2 -0.098 3.862 3.960 0.000 0.000 0.277 349 G HA3 -0.098 3.862 3.960 0.000 0.000 0.277 349 G C -1.595 173.286 174.900 -0.031 0.000 1.288 349 G CA -1.222 43.868 45.100 -0.017 0.000 1.075 349 G HN -0.227 nan 8.290 nan 0.000 0.480 350 L N 0.865 122.078 121.223 -0.016 0.000 2.418 350 L HA 0.510 4.850 4.340 0.000 0.000 0.274 350 L C 0.751 177.614 176.870 -0.013 0.000 1.135 350 L CA -0.143 54.690 54.840 -0.012 0.000 0.870 350 L CB 0.581 42.639 42.059 -0.003 0.000 1.154 350 L HN 0.465 nan 8.230 nan 0.000 0.462 351 V N 4.871 124.792 119.914 0.011 0.000 2.435 351 V HA 0.285 4.405 4.120 0.000 0.000 0.290 351 V C 0.199 176.355 176.094 0.103 0.000 1.030 351 V CA -0.803 61.521 62.300 0.039 0.000 0.881 351 V CB 2.282 34.139 31.823 0.056 0.000 0.983 351 V HN 0.421 nan 8.190 nan 0.000 0.445 352 V N 5.508 125.507 119.914 0.141 0.000 2.381 352 V HA 0.095 4.215 4.120 0.000 0.000 0.257 352 V C 1.270 177.559 176.094 0.326 0.000 1.057 352 V CA 0.663 63.114 62.300 0.251 0.000 1.013 352 V CB 0.701 32.710 31.823 0.310 0.000 1.069 352 V HN 1.109 nan 8.190 nan 0.000 0.484 353 S N 2.239 118.104 115.700 0.276 0.000 2.524 353 S HA 0.174 4.644 4.470 0.000 0.000 0.216 353 S C 0.720 175.569 174.600 0.414 0.000 0.987 353 S CA 0.156 58.559 58.200 0.338 0.000 0.909 353 S CB 0.398 63.731 63.200 0.221 0.000 0.781 353 S HN 0.644 nan 8.310 nan 0.000 0.521 354 S N 0.074 115.939 115.700 0.276 0.000 2.533 354 S HA 0.700 5.170 4.470 0.000 0.000 0.271 354 S C -1.781 172.814 174.600 -0.008 0.000 1.143 354 S CA -0.838 57.513 58.200 0.251 0.000 0.891 354 S CB 1.022 64.336 63.200 0.191 0.000 1.105 354 S HN 0.346 nan 8.310 nan 0.000 0.468 355 I N 3.770 124.248 120.570 -0.153 0.000 2.512 355 I HA 0.398 4.569 4.170 0.000 0.000 0.287 355 I C -0.328 175.744 176.117 -0.075 0.000 1.069 355 I CA -0.663 60.415 61.300 -0.369 0.000 1.056 355 I CB 1.896 39.152 38.000 -1.240 0.000 1.229 355 I HN 0.896 nan 8.210 nan 0.000 0.429 356 N N 5.102 123.803 118.700 0.002 0.000 2.696 356 N HA -0.260 4.480 4.740 0.000 0.000 0.256 356 N C 0.168 175.726 175.510 0.080 0.000 1.031 356 N CA 0.818 53.913 53.050 0.074 0.000 0.730 356 N CB -0.770 37.783 38.487 0.109 0.000 0.894 356 N HN 0.799 nan 8.380 nan 0.000 0.544 357 N N -0.871 117.873 118.700 0.073 0.000 2.735 357 N HA -0.230 4.510 4.740 0.000 0.000 0.248 357 N C -0.726 174.826 175.510 0.070 0.000 1.083 357 N CA 1.510 54.600 53.050 0.068 0.000 0.703 357 N CB -0.930 37.587 38.487 0.051 0.000 1.005 357 N HN 0.735 nan 8.380 nan 0.000 0.550 358 I N -1.239 119.400 120.570 0.114 0.000 2.531 358 I HA 0.540 4.710 4.170 0.000 0.000 0.283 358 I C -0.040 176.203 176.117 0.211 0.000 1.083 358 I CA -0.614 60.721 61.300 0.059 0.000 1.071 358 I CB 1.191 39.124 38.000 -0.113 0.000 1.210 358 I HN 0.053 nan 8.210 nan 0.000 0.450 359 A N 5.656 128.592 122.820 0.193 0.000 2.287 359 A HA 0.365 4.685 4.320 0.000 0.000 0.273 359 A C 1.145 178.979 177.584 0.415 0.000 1.091 359 A CA 0.015 52.240 52.037 0.313 0.000 0.817 359 A CB 0.497 19.619 19.000 0.202 0.000 1.069 359 A HN 0.896 nan 8.150 nan 0.000 0.492 360 E N 0.802 121.281 120.200 0.466 0.000 2.031 360 E HA -0.205 4.145 4.350 0.000 0.000 0.193 360 E C 0.347 177.111 176.600 0.274 0.000 0.994 360 E CA 0.824 57.486 56.400 0.437 0.000 0.800 360 E CB -0.358 29.577 29.700 0.392 0.000 0.752 360 E HN 0.810 nan 8.360 nan 0.000 0.447 361 N N -0.073 118.728 118.700 0.169 0.000 2.438 361 N HA -0.173 4.567 4.740 0.000 0.000 0.295 361 N C 0.336 175.857 175.510 0.017 0.000 1.416 361 N CA 0.141 53.210 53.050 0.032 0.000 0.646 361 N CB -0.006 38.422 38.487 -0.099 0.000 0.955 361 N HN 0.189 nan 8.380 nan 0.000 0.502 362 V N 3.299 123.241 119.914 0.048 0.000 3.078 362 V HA -0.138 3.982 4.120 0.000 0.000 0.265 362 V C 1.779 177.886 176.094 0.023 0.000 1.122 362 V CA 2.273 64.624 62.300 0.085 0.000 1.141 362 V CB -0.422 31.464 31.823 0.105 0.000 0.735 362 V HN 0.695 nan 8.190 nan 0.000 0.498 363 N N -0.672 117.996 118.700 -0.053 0.000 2.244 363 N HA -0.115 4.625 4.740 0.000 0.000 0.183 363 N C 1.147 176.700 175.510 0.072 0.000 1.016 363 N CA 1.283 54.312 53.050 -0.035 0.000 0.866 363 N CB -0.156 38.265 38.487 -0.109 0.000 0.980 363 N HN 0.682 nan 8.380 nan 0.000 0.430 364 H N -0.334 118.717 119.070 -0.031 0.000 2.519 364 H HA 0.234 4.790 4.556 0.000 0.000 0.289 364 H C -0.121 175.091 175.328 -0.193 0.000 1.040 364 H CA -0.419 55.582 56.048 -0.077 0.000 1.165 364 H CB 0.503 30.248 29.762 -0.028 0.000 1.462 364 H HN -0.110 nan 8.280 nan 0.000 0.555 365 K N 1.372 121.675 120.400 -0.163 0.000 3.071 365 K HA -0.180 4.140 4.320 0.000 0.000 0.262 365 K C -0.462 175.731 176.600 -0.678 0.000 0.977 365 K CA 0.731 56.626 56.287 -0.653 0.000 0.721 365 K CB -1.291 30.798 32.500 -0.685 0.000 1.293 365 K HN 0.321 nan 8.250 nan 0.000 0.475 366 T N -0.083 114.328 114.554 -0.238 0.000 2.863 366 T HA 0.710 5.060 4.350 0.000 0.000 0.285 366 T C -1.146 173.498 174.700 -0.093 0.000 1.009 366 T CA -0.344 61.599 62.100 -0.261 0.000 0.989 366 T CB 0.700 69.373 68.868 -0.325 0.000 1.004 366 T HN 0.307 nan 8.240 nan 0.000 0.455 367 Y N 0.800 120.746 120.300 -0.591 0.000 2.853 367 Y HA 0.730 5.280 4.550 0.000 0.000 0.326 367 Y C -2.420 173.206 175.900 -0.457 0.000 1.384 367 Y CA -2.520 55.398 58.100 -0.304 0.000 1.077 367 Y CB 0.596 39.092 38.460 0.060 0.000 1.395 367 Y HN 0.644 nan 8.280 nan 0.000 0.451 368 W N 2.730 123.955 121.300 -0.125 0.000 2.291 368 W HA 0.586 5.246 4.660 0.000 0.000 0.312 368 W C -0.244 176.110 176.519 -0.275 0.000 1.061 368 W CA -0.241 56.994 57.345 -0.183 0.000 1.296 368 W CB 1.560 31.117 29.460 0.162 0.000 1.223 368 W HN 0.564 nan 8.180 nan 0.000 0.421 369 Q N 3.167 122.738 119.800 -0.383 0.000 2.257 369 Q HA 0.416 4.756 4.340 0.000 0.000 0.255 369 Q C -1.236 174.736 176.000 -0.047 0.000 0.920 369 Q CA -0.612 55.133 55.803 -0.096 0.000 0.927 369 Q CB 0.849 29.460 28.738 -0.212 0.000 1.229 369 Q HN 0.330 nan 8.270 nan 0.000 0.433 370 F N 4.215 124.172 119.950 0.012 0.000 2.397 370 F HA 0.538 5.065 4.527 0.000 0.000 0.331 370 F C -0.117 175.625 175.800 -0.098 0.000 1.090 370 F CA -0.652 57.324 58.000 -0.039 0.000 1.065 370 F CB 1.210 40.159 39.000 -0.085 0.000 1.184 370 F HN 0.448 nan 8.300 nan 0.000 0.499 371 L N -0.371 120.852 121.223 0.000 0.000 2.556 371 L HA 0.596 4.936 4.340 0.000 0.000 0.257 371 L C -0.915 175.902 176.870 -0.089 0.000 0.955 371 L CA -0.874 53.930 54.840 -0.060 0.000 0.850 371 L CB 1.822 43.843 42.059 -0.063 0.000 1.398 371 L HN 0.424 nan 8.230 nan 0.000 0.412 372 S N 1.142 116.794 115.700 -0.081 0.000 2.404 372 S HA 0.671 5.141 4.470 0.000 0.000 0.309 372 S C 0.789 175.390 174.600 0.002 0.000 1.076 372 S CA 0.773 58.949 58.200 -0.039 0.000 1.095 372 S CB 0.125 63.325 63.200 0.000 0.000 0.972 372 S HN 1.604 nan 8.310 nan 0.000 0.484 373 G N 3.975 112.759 108.800 -0.026 0.000 2.889 373 G HA2 -0.298 3.662 3.960 0.000 0.000 0.308 373 G HA3 -0.298 3.662 3.960 0.000 0.000 0.308 373 G C 0.821 175.697 174.900 -0.041 0.000 1.248 373 G CA 0.542 45.647 45.100 0.008 0.000 0.982 373 G HN 1.399 nan 8.290 nan 0.000 0.571 374 V N 2.047 121.960 119.914 -0.002 0.000 3.562 374 V HA 0.404 4.524 4.120 0.000 0.000 0.270 374 V C 1.482 177.569 176.094 -0.011 0.000 1.418 374 V CA 1.995 64.287 62.300 -0.014 0.000 1.033 374 V CB 0.357 32.185 31.823 0.009 0.000 0.820 374 V HN 1.507 nan 8.190 nan 0.000 0.441 375 T N 0.989 115.544 114.554 0.003 0.000 2.817 375 T HA 0.510 4.860 4.350 0.000 0.000 0.293 375 T C -2.675 172.016 174.700 -0.016 0.000 0.964 375 T CA -1.824 60.279 62.100 0.004 0.000 1.085 375 T CB 1.121 70.004 68.868 0.025 0.000 0.921 375 T HN 0.157 nan 8.240 nan 0.000 0.502 376 P HA 0.236 nan 4.420 nan 0.000 0.271 376 P C -0.388 176.880 177.300 -0.053 0.000 1.216 376 P CA -0.756 62.333 63.100 -0.019 0.000 0.776 376 P CB 0.351 32.055 31.700 0.007 0.000 0.881 377 L N 3.674 124.835 121.223 -0.103 0.000 2.461 377 L HA 0.081 4.421 4.340 0.000 0.000 0.272 377 L C 1.698 178.494 176.870 -0.123 0.000 1.197 377 L CA 0.696 55.405 54.840 -0.219 0.000 0.836 377 L CB -0.306 41.504 42.059 -0.414 0.000 1.105 377 L HN 0.471 nan 8.230 nan 0.000 0.477 378 N N 1.029 119.687 118.700 -0.070 0.000 2.235 378 N HA 0.072 4.812 4.740 0.000 0.000 0.209 378 N C -0.242 175.272 175.510 0.007 0.000 1.122 378 N CA -0.002 53.051 53.050 0.006 0.000 0.845 378 N CB 0.559 39.099 38.487 0.088 0.000 1.004 378 N HN 0.674 nan 8.380 nan 0.000 0.499 379 E N -0.991 119.169 120.200 -0.067 0.000 2.408 379 E HA 0.537 4.887 4.350 0.000 0.000 0.275 379 E C -0.539 175.969 176.600 -0.153 0.000 0.935 379 E CA -1.142 55.206 56.400 -0.088 0.000 0.775 379 E CB 1.922 31.685 29.700 0.104 0.000 1.277 379 E HN 0.181 nan 8.360 nan 0.000 0.455 380 G N -0.276 108.432 108.800 -0.152 0.000 2.580 380 G HA2 0.247 4.207 3.960 0.000 0.000 0.278 380 G HA3 0.247 4.207 3.960 0.000 0.000 0.278 380 G C 1.087 175.880 174.900 -0.179 0.000 1.212 380 G CA -0.097 44.887 45.100 -0.192 0.000 0.939 380 G HN 0.390 nan 8.290 nan 0.000 0.513 381 V N -2.473 117.264 119.914 -0.295 0.000 2.720 381 V HA 0.020 4.140 4.120 0.000 0.000 0.256 381 V C 2.382 178.415 176.094 -0.102 0.000 1.082 381 V CA 2.235 64.374 62.300 -0.267 0.000 1.101 381 V CB -0.789 30.807 31.823 -0.378 0.000 0.693 381 V HN 0.803 nan 8.190 nan 0.000 0.479 382 A N -0.787 121.999 122.820 -0.056 0.000 2.275 382 A HA 0.165 4.485 4.320 0.000 0.000 0.212 382 A C 1.561 179.171 177.584 0.043 0.000 1.201 382 A CA 0.926 52.960 52.037 -0.005 0.000 0.843 382 A CB -0.235 18.768 19.000 0.006 0.000 0.873 382 A HN 0.553 nan 8.150 nan 0.000 0.492 383 D N -2.605 117.834 120.400 0.065 0.000 2.482 383 D HA 0.150 4.790 4.640 0.000 0.000 0.251 383 D C -0.110 176.275 176.300 0.141 0.000 1.073 383 D CA 0.120 54.215 54.000 0.158 0.000 0.892 383 D CB -0.031 40.863 40.800 0.156 0.000 1.202 383 D HN 0.341 nan 8.370 nan 0.000 0.496 384 Y N 1.560 121.839 120.300 -0.035 0.000 2.442 384 Y HA 0.261 4.811 4.550 0.000 0.000 0.330 384 Y C 0.008 175.869 175.900 -0.064 0.000 1.129 384 Y CA 0.080 58.150 58.100 -0.051 0.000 1.365 384 Y CB 0.302 38.704 38.460 -0.097 0.000 1.233 384 Y HN -0.159 nan 8.280 nan 0.000 0.529 385 I N 9.473 129.659 120.570 -0.640 0.000 2.388 385 I HA 0.257 4.427 4.170 0.000 0.000 0.281 385 I C -2.222 173.506 176.117 -0.648 0.000 1.046 385 I CA -2.048 58.970 61.300 -0.470 0.000 1.187 385 I CB 0.863 38.693 38.000 -0.284 0.000 1.351 385 I HN 0.521 nan 8.210 nan 0.000 0.472 386 P HA 0.075 nan 4.420 nan 0.000 0.268 386 P C -0.471 176.698 177.300 -0.219 0.000 1.205 386 P CA -0.052 62.844 63.100 -0.341 0.000 0.771 386 P CB 0.350 31.961 31.700 -0.149 0.000 0.858 387 F N 0.899 120.822 119.950 -0.045 0.000 2.362 387 F HA 0.396 4.923 4.527 0.000 0.000 0.340 387 F C 1.651 177.431 175.800 -0.034 0.000 1.088 387 F CA -1.535 56.443 58.000 -0.038 0.000 1.096 387 F CB -1.458 37.536 39.000 -0.009 0.000 1.486 387 F HN 0.325 nan 8.300 nan 0.000 0.500 388 N N 0.490 119.420 118.700 0.384 0.000 2.009 388 N HA -0.333 4.407 4.740 0.000 0.000 0.166 388 N C -0.300 175.162 175.510 -0.080 0.000 0.837 388 N CA 2.595 55.701 53.050 0.094 0.000 0.866 388 N CB -1.368 37.197 38.487 0.131 0.000 0.972 388 N HN 0.769 nan 8.380 nan 0.000 0.987 389 H N -0.654 118.609 119.070 0.322 0.000 2.355 389 H HA 0.556 5.112 4.556 0.000 0.000 0.232 389 H C -0.308 175.235 175.328 0.359 0.000 1.422 389 H CA 0.259 56.456 56.048 0.249 0.000 1.261 389 H CB -0.176 29.679 29.762 0.155 0.000 1.595 389 H HN 0.665 nan 8.280 nan 0.000 0.529 390 E N 0.795 121.229 120.200 0.389 0.000 2.338 390 E HA 0.071 4.421 4.350 0.000 0.000 0.272 390 E C -0.833 175.907 176.600 0.233 0.000 1.029 390 E CA -0.679 55.852 56.400 0.219 0.000 0.872 390 E CB 0.310 29.692 29.700 -0.530 0.000 1.015 390 E HN 0.808 nan 8.360 nan 0.000 0.417 391 H N 2.245 121.400 119.070 0.143 0.000 2.787 391 H HA 0.435 4.991 4.556 0.000 0.000 0.275 391 H C -0.687 174.697 175.328 0.093 0.000 1.183 391 H CA -0.552 55.571 56.048 0.125 0.000 1.290 391 H CB 0.069 29.907 29.762 0.127 0.000 1.438 391 H HN 0.495 nan 8.280 nan 0.000 0.487 392 I N 5.370 126.025 120.570 0.142 0.000 2.321 392 I HA 0.123 4.293 4.170 0.000 0.000 0.291 392 I C 0.090 176.264 176.117 0.094 0.000 0.998 392 I CA -0.345 60.985 61.300 0.050 0.000 1.227 392 I CB 1.657 39.700 38.000 0.071 0.000 1.368 392 I HN 0.509 nan 8.210 nan 0.000 0.466 393 T N 4.775 119.265 114.554 -0.107 0.000 2.925 393 T HA 0.626 4.977 4.350 0.000 0.000 0.285 393 T C 0.050 174.626 174.700 -0.208 0.000 1.021 393 T CA -0.632 61.372 62.100 -0.159 0.000 1.042 393 T CB 1.842 70.532 68.868 -0.297 0.000 1.037 393 T HN 0.651 nan 8.240 nan 0.000 0.481 394 A N 2.614 125.280 122.820 -0.256 0.000 3.105 394 A HA 0.471 4.791 4.320 0.000 0.000 0.336 394 A C 0.022 177.602 177.584 -0.007 0.000 1.042 394 A CA -0.733 51.073 52.037 -0.384 0.000 0.851 394 A CB -0.395 18.292 19.000 -0.522 0.000 1.068 394 A HN 0.631 nan 8.150 nan 0.000 0.477 395 N N 0.732 119.368 118.700 -0.106 0.000 2.475 395 N HA 0.148 4.888 4.740 0.000 0.000 0.267 395 N C -0.796 174.603 175.510 -0.184 0.000 1.169 395 N CA -0.156 52.829 53.050 -0.108 0.000 0.947 395 N CB 0.088 38.466 38.487 -0.182 0.000 1.061 395 N HN 0.389 nan 8.380 nan 0.000 0.466 396 F N 3.781 123.425 119.950 -0.510 0.000 2.515 396 F HA 0.226 4.753 4.527 0.000 0.000 0.353 396 F C 0.790 176.244 175.800 -0.577 0.000 1.213 396 F CA -0.135 57.299 58.000 -0.944 0.000 1.194 396 F CB -0.197 37.964 39.000 -1.398 0.000 1.488 396 F HN 0.344 nan 8.300 nan 0.000 0.619 397 T N 3.220 117.302 114.554 -0.787 0.000 2.893 397 T HA 0.472 4.822 4.350 0.000 0.000 0.281 397 T C -0.306 174.067 174.700 -0.546 0.000 1.027 397 T CA -0.310 61.468 62.100 -0.536 0.000 0.953 397 T CB 0.982 69.644 68.868 -0.344 0.000 1.434 397 T HN 0.609 nan 8.240 nan 0.000 0.597 398 Q N -0.626 119.030 119.800 -0.240 0.000 2.496 398 Q HA 0.567 4.907 4.340 0.000 0.000 0.286 398 Q C -1.551 174.491 176.000 0.070 0.000 1.103 398 Q CA -0.930 54.776 55.803 -0.162 0.000 0.813 398 Q CB 2.159 30.764 28.738 -0.221 0.000 1.444 398 Q HN 0.745 nan 8.270 nan 0.000 0.443 399 Y N 0.000 120.340 120.300 0.067 0.000 2.660 399 Y HA 0.000 4.550 4.550 0.000 0.000 0.201 399 Y CA 0.000 58.115 58.100 0.025 0.000 1.940 399 Y CB 0.000 38.401 38.460 -0.099 0.000 1.050 399 Y HN 0.000 nan 8.280 nan 0.000 0.758