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 1q3r_1_B DATA FIRST_RESID 9 DATA SEQUENCE VVILPEGTQR YVGRDAQRLN ILAARIIAET VRTTLGPKGM DKMLVDSLGD DATA SEQUENCE IVVTNDGATI LDKIDLQHPA AKMMVEVAKT QDKEAGDGTT TAVVIAGELL DATA SEQUENCE RKAEELLDQN IHPSIITKGY ALAAEKAQEI LDEIAIRVDP DDEETLLKIA DATA SEQUENCE ATSITGKNAE SHKELLAKLA VEAVKQVAEK KDGKYVVDLD NIKFEKKAGE DATA SEQUENCE GVEESELVRG VVIDKEVVHP RMPKRVENAK IALINEALEV KKTETDAKIN DATA SEQUENCE ITSPDQLMSF LEQEEKMLKD MVDHIAQTGA NVVFVQKGID DLAQHYLAKY DATA SEQUENCE GIMAVRRVKK SDMEKLAKAT GAKIVTNVKD LTPEDLGYAE VVEERKLAGE DATA SEQUENCE NMIFVEGCKN PKAVTILIRG GTEHVIDEVE RALEDAVKVV KDVMEDGAVL DATA SEQUENCE PAGGAPEIEL AIRLDEYAKQ VGGKEALAIE NFADALKIIP KTLAENAGLD DATA SEQUENCE TVEMLVKVIS EHKNRGLGIG IDVFEGKPAD MLEKGIIEPL RVKKQAIKSA DATA SEQUENCE SEAAIMILRI DDVIAAKA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 9 V HA 0.000 nan 4.120 nan 0.000 0.244 9 V C 0.000 176.088 176.094 -0.010 0.000 1.182 9 V CA 0.000 62.295 62.300 -0.009 0.000 1.235 9 V CB 0.000 31.819 31.823 -0.007 0.000 1.184 10 V N 6.371 126.279 119.914 -0.010 0.000 2.450 10 V HA 0.047 4.167 4.120 0.000 0.000 0.264 10 V C 1.427 177.515 176.094 -0.010 0.000 0.996 10 V CA 0.631 62.925 62.300 -0.011 0.000 1.138 10 V CB -0.481 31.336 31.823 -0.010 0.000 1.051 10 V HN 0.776 nan 8.190 nan 0.000 0.470 11 I N 4.102 124.665 120.570 -0.011 0.000 2.729 11 I HA 0.184 4.355 4.170 0.000 0.000 0.256 11 I C 0.851 176.961 176.117 -0.010 0.000 1.115 11 I CA 0.855 62.149 61.300 -0.010 0.000 1.446 11 I CB -0.111 37.883 38.000 -0.010 0.000 1.176 11 I HN 0.354 nan 8.210 nan 0.000 0.446 12 L N 1.890 123.105 121.223 -0.013 0.000 2.343 12 L HA 0.344 4.684 4.340 0.000 0.000 0.275 12 L C -2.124 174.738 176.870 -0.013 0.000 1.056 12 L CA -1.678 53.154 54.840 -0.013 0.000 0.804 12 L CB 0.651 42.700 42.059 -0.018 0.000 1.203 12 L HN -0.090 nan 8.230 nan 0.000 0.440 13 P HA 0.040 nan 4.420 nan 0.000 0.268 13 P C -1.000 176.293 177.300 -0.012 0.000 1.204 13 P CA -0.449 62.646 63.100 -0.009 0.000 0.768 13 P CB 0.346 32.042 31.700 -0.007 0.000 0.842 14 E N 2.031 122.224 120.200 -0.011 0.000 2.442 14 E HA 0.291 4.641 4.350 0.000 0.000 0.262 14 E C 1.127 177.721 176.600 -0.011 0.000 1.004 14 E CA 0.309 56.702 56.400 -0.013 0.000 0.928 14 E CB -0.444 29.250 29.700 -0.011 0.000 0.937 14 E HN 0.722 nan 8.360 nan 0.000 0.446 15 G N 2.425 111.217 108.800 -0.013 0.000 2.238 15 G HA2 -0.262 3.698 3.960 0.000 0.000 0.217 15 G HA3 -0.262 3.698 3.960 0.000 0.000 0.217 15 G C 0.315 175.209 174.900 -0.009 0.000 0.996 15 G CA 0.059 45.154 45.100 -0.008 0.000 0.632 15 G HN 1.177 nan 8.290 nan 0.000 0.503 16 T N 0.109 114.655 114.554 -0.014 0.000 2.910 16 T HA 0.596 4.946 4.350 0.000 0.000 0.293 16 T C -0.004 174.676 174.700 -0.032 0.000 1.015 16 T CA 0.366 62.457 62.100 -0.015 0.000 1.094 16 T CB 1.673 70.532 68.868 -0.016 0.000 0.968 16 T HN 0.926 nan 8.240 nan 0.000 0.521 17 Q N 1.603 121.387 119.800 -0.027 0.000 2.365 17 Q HA 0.641 4.981 4.340 0.000 0.000 0.269 17 Q C -0.949 174.980 176.000 -0.118 0.000 1.061 17 Q CA -1.258 54.492 55.803 -0.088 0.000 0.816 17 Q CB 2.425 31.153 28.738 -0.017 0.000 1.325 17 Q HN 0.788 nan 8.270 nan 0.000 0.446 18 R N 1.866 122.170 120.500 -0.327 0.000 2.604 18 R HA 0.478 4.818 4.340 0.000 0.000 0.281 18 R C -1.864 174.133 176.300 -0.504 0.000 1.020 18 R CA -0.428 55.524 56.100 -0.247 0.000 0.899 18 R CB 1.581 31.813 30.300 -0.113 0.000 1.205 18 R HN 0.744 nan 8.270 nan 0.000 0.450 19 Y N 2.451 122.752 120.300 0.002 0.000 2.485 19 Y HA 0.591 5.141 4.550 0.000 0.000 0.345 19 Y C 0.003 175.905 175.900 0.003 0.000 0.998 19 Y CA -0.780 57.324 58.100 0.006 0.000 1.059 19 Y CB 2.249 40.720 38.460 0.017 0.000 1.234 19 Y HN 0.387 nan 8.280 nan 0.000 0.461 20 V N -1.252 118.737 119.914 0.125 0.000 3.181 20 V HA 1.028 5.148 4.120 0.000 0.000 0.308 20 V C 0.351 176.477 176.094 0.054 0.000 1.214 20 V CA -0.492 61.850 62.300 0.070 0.000 1.053 20 V CB 1.203 33.042 31.823 0.028 0.000 1.069 20 V HN 1.342 nan 8.190 nan 0.000 0.441 21 G N 1.372 110.188 108.800 0.026 0.000 2.614 21 G HA2 -0.368 3.592 3.960 0.000 0.000 0.303 21 G HA3 -0.368 3.592 3.960 0.000 0.000 0.303 21 G C 0.818 175.724 174.900 0.010 0.000 1.270 21 G CA 1.299 46.402 45.100 0.006 0.000 0.988 21 G HN 1.333 nan 8.290 nan 0.000 0.551 22 R N 0.182 120.684 120.500 0.003 0.000 2.193 22 R HA -0.042 4.298 4.340 0.000 0.000 0.229 22 R C 2.087 178.400 176.300 0.022 0.000 1.110 22 R CA 1.790 57.892 56.100 0.002 0.000 0.988 22 R CB -0.323 29.974 30.300 -0.005 0.000 0.871 22 R HN 0.584 nan 8.270 nan 0.000 0.458 23 D N -0.019 120.411 120.400 0.050 0.000 2.123 23 D HA -0.093 4.547 4.640 0.000 0.000 0.200 23 D C 1.667 178.022 176.300 0.092 0.000 0.976 23 D CA 1.335 55.388 54.000 0.087 0.000 0.831 23 D CB -0.045 40.840 40.800 0.142 0.000 0.974 23 D HN 0.326 nan 8.370 nan 0.000 0.469 24 A N 1.043 123.926 122.820 0.105 0.000 1.902 24 A HA -0.229 4.091 4.320 0.000 0.000 0.217 24 A C 2.138 179.736 177.584 0.023 0.000 1.181 24 A CA 1.385 53.473 52.037 0.085 0.000 0.623 24 A CB -0.547 18.509 19.000 0.092 0.000 0.818 24 A HN 0.226 nan 8.150 nan 0.000 0.443 25 Q N -0.938 118.872 119.800 0.016 0.000 2.016 25 Q HA -0.190 4.150 4.340 0.000 0.000 0.200 25 Q C 2.386 178.377 176.000 -0.015 0.000 0.978 25 Q CA 1.588 57.391 55.803 -0.001 0.000 0.833 25 Q CB -0.287 28.446 28.738 -0.009 0.000 0.895 25 Q HN 0.726 nan 8.270 nan 0.000 0.427 26 R N 0.593 121.084 120.500 -0.014 0.000 2.096 26 R HA -0.183 4.157 4.340 0.000 0.000 0.240 26 R C 2.136 178.400 176.300 -0.059 0.000 1.139 26 R CA 1.257 57.340 56.100 -0.028 0.000 0.952 26 R CB -0.177 30.115 30.300 -0.014 0.000 0.854 26 R HN 0.183 nan 8.270 nan 0.000 0.436 27 L N 1.135 122.313 121.223 -0.074 0.000 1.994 27 L HA -0.148 4.192 4.340 0.000 0.000 0.208 27 L C 1.981 178.761 176.870 -0.152 0.000 1.071 27 L CA 2.016 56.774 54.840 -0.138 0.000 0.745 27 L CB -1.632 40.307 42.059 -0.200 0.000 0.892 27 L HN 0.400 nan 8.230 nan 0.000 0.431 28 N N -0.280 118.395 118.700 -0.040 0.000 2.069 28 N HA -0.193 4.547 4.740 0.000 0.000 0.191 28 N C 1.776 177.254 175.510 -0.054 0.000 1.031 28 N CA 0.921 53.974 53.050 0.006 0.000 0.852 28 N CB 0.092 38.601 38.487 0.037 0.000 1.018 28 N HN 0.186 nan 8.380 nan 0.000 0.423 29 I N 1.330 121.870 120.570 -0.050 0.000 2.179 29 I HA -0.216 3.955 4.170 0.000 0.000 0.242 29 I C 2.328 178.398 176.117 -0.078 0.000 1.088 29 I CA 1.049 62.322 61.300 -0.046 0.000 1.357 29 I CB -1.180 36.802 38.000 -0.030 0.000 1.051 29 I HN 0.265 nan 8.210 nan 0.000 0.409 30 L N 0.754 121.912 121.223 -0.108 0.000 1.989 30 L HA -0.239 4.101 4.340 0.000 0.000 0.211 30 L C 2.824 179.591 176.870 -0.171 0.000 1.071 30 L CA 1.717 56.482 54.840 -0.126 0.000 0.749 30 L CB -0.380 41.599 42.059 -0.133 0.000 0.890 30 L HN 0.219 nan 8.230 nan 0.000 0.431 31 A N -0.235 122.409 122.820 -0.293 0.000 1.873 31 A HA -0.301 4.019 4.320 0.000 0.000 0.218 31 A C 2.439 179.927 177.584 -0.161 0.000 1.193 31 A CA 2.221 54.047 52.037 -0.352 0.000 0.629 31 A CB -1.043 17.511 19.000 -0.743 0.000 0.826 31 A HN 0.545 nan 8.150 nan 0.000 0.447 32 A N -0.608 122.147 122.820 -0.107 0.000 1.883 32 A HA -0.211 4.109 4.320 0.000 0.000 0.217 32 A C 2.265 179.818 177.584 -0.052 0.000 1.186 32 A CA 1.778 53.785 52.037 -0.051 0.000 0.624 32 A CB -0.528 18.456 19.000 -0.026 0.000 0.822 32 A HN 0.573 nan 8.150 nan 0.000 0.444 33 R N -0.661 119.803 120.500 -0.060 0.000 2.080 33 R HA -0.095 4.245 4.340 0.000 0.000 0.236 33 R C 2.071 178.338 176.300 -0.054 0.000 1.137 33 R CA 1.766 57.834 56.100 -0.052 0.000 0.943 33 R CB -0.552 29.717 30.300 -0.051 0.000 0.846 33 R HN 0.598 nan 8.270 nan 0.000 0.431 34 I N 0.634 121.164 120.570 -0.066 0.000 2.208 34 I HA -0.300 3.870 4.170 0.000 0.000 0.245 34 I C 2.254 178.342 176.117 -0.048 0.000 1.097 34 I CA 0.961 62.226 61.300 -0.059 0.000 1.363 34 I CB -0.266 37.692 38.000 -0.071 0.000 1.051 34 I HN 0.180 nan 8.210 nan 0.000 0.413 35 I N 1.015 121.556 120.570 -0.048 0.000 2.226 35 I HA -0.273 3.897 4.170 0.000 0.000 0.245 35 I C 2.789 178.886 176.117 -0.033 0.000 1.100 35 I CA 1.776 63.056 61.300 -0.034 0.000 1.374 35 I CB -1.222 36.762 38.000 -0.026 0.000 1.057 35 I HN 0.195 nan 8.210 nan 0.000 0.413 36 A N 0.346 123.144 122.820 -0.037 0.000 1.898 36 A HA -0.183 4.137 4.320 0.000 0.000 0.216 36 A C 2.148 179.709 177.584 -0.038 0.000 1.181 36 A CA 1.281 53.296 52.037 -0.037 0.000 0.620 36 A CB -0.534 18.441 19.000 -0.041 0.000 0.819 36 A HN 0.500 nan 8.150 nan 0.000 0.442 37 E N -0.596 119.581 120.200 -0.039 0.000 2.153 37 E HA -0.118 4.232 4.350 0.000 0.000 0.194 37 E C 1.843 178.422 176.600 -0.034 0.000 0.988 37 E CA 1.450 57.828 56.400 -0.037 0.000 0.811 37 E CB -0.362 29.316 29.700 -0.037 0.000 0.746 37 E HN 0.584 nan 8.360 nan 0.000 0.466 38 T N 0.881 115.415 114.554 -0.033 0.000 2.867 38 T HA -0.098 4.252 4.350 0.000 0.000 0.268 38 T C 2.151 176.834 174.700 -0.029 0.000 1.057 38 T CA 1.398 63.480 62.100 -0.030 0.000 1.136 38 T CB -0.008 68.843 68.868 -0.028 0.000 0.874 38 T HN 0.200 nan 8.240 nan 0.000 0.466 39 V N 1.161 121.056 119.914 -0.030 0.000 3.307 39 V HA 0.133 4.253 4.120 0.000 0.000 0.253 39 V C 2.301 178.375 176.094 -0.033 0.000 1.149 39 V CA 0.515 62.797 62.300 -0.030 0.000 1.112 39 V CB -0.719 31.087 31.823 -0.028 0.000 0.777 39 V HN 0.408 nan 8.190 nan 0.000 0.464 40 R N 2.741 123.219 120.500 -0.036 0.000 2.211 40 R HA -0.149 4.191 4.340 0.000 0.000 0.240 40 R C 1.963 178.240 176.300 -0.039 0.000 1.144 40 R CA 1.951 58.028 56.100 -0.039 0.000 0.992 40 R CB -1.769 28.506 30.300 -0.041 0.000 0.869 40 R HN 0.641 nan 8.270 nan 0.000 0.462 41 T N -2.070 112.462 114.554 -0.036 0.000 3.163 41 T HA -0.049 4.301 4.350 0.000 0.000 0.260 41 T C 1.633 176.312 174.700 -0.035 0.000 1.156 41 T CA 1.004 63.083 62.100 -0.035 0.000 1.072 41 T CB -0.097 68.753 68.868 -0.031 0.000 0.937 41 T HN 0.530 nan 8.240 nan 0.000 0.528 42 T N -1.170 113.363 114.554 -0.035 0.000 3.014 42 T HA 0.339 4.689 4.350 0.000 0.000 0.250 42 T C 0.506 175.184 174.700 -0.036 0.000 1.060 42 T CA -0.589 61.491 62.100 -0.033 0.000 1.040 42 T CB -0.373 68.477 68.868 -0.030 0.000 0.971 42 T HN 0.303 nan 8.240 nan 0.000 0.497 43 L N 2.853 124.052 121.223 -0.041 0.000 2.499 43 L HA 0.502 4.843 4.340 0.000 0.000 0.273 43 L C 0.770 177.606 176.870 -0.057 0.000 1.195 43 L CA 1.802 56.615 54.840 -0.045 0.000 0.882 43 L CB -0.557 41.474 42.059 -0.047 0.000 1.133 43 L HN 0.746 nan 8.230 nan 0.000 0.483 44 G N 3.848 112.613 108.800 -0.057 0.000 2.712 44 G HA2 -0.167 3.793 3.960 0.000 0.000 0.683 44 G HA3 -0.167 3.793 3.960 0.000 0.000 0.683 44 G C -2.143 172.702 174.900 -0.090 0.000 1.320 44 G CA -0.438 44.614 45.100 -0.081 0.000 0.847 44 G HN 0.491 nan 8.290 nan 0.000 0.553 45 P HA 0.017 nan 4.420 nan 0.000 0.218 45 P C 1.461 178.672 177.300 -0.148 0.000 1.148 45 P CA 1.479 64.489 63.100 -0.151 0.000 0.822 45 P CB 0.075 31.500 31.700 -0.457 0.000 0.784 46 K N -0.705 119.572 120.400 -0.206 0.000 2.446 46 K HA 0.263 4.584 4.320 0.000 0.000 0.203 46 K C 0.761 177.316 176.600 -0.075 0.000 1.027 46 K CA -0.212 55.997 56.287 -0.130 0.000 1.166 46 K CB -0.447 31.955 32.500 -0.164 0.000 0.869 46 K HN -0.003 nan 8.250 nan 0.000 0.504 47 G N 0.554 109.315 108.800 -0.065 0.000 2.467 47 G HA2 0.278 4.238 3.960 0.000 0.000 0.257 47 G HA3 0.278 4.238 3.960 0.000 0.000 0.257 47 G C -0.112 174.771 174.900 -0.029 0.000 1.227 47 G CA -0.422 44.650 45.100 -0.046 0.000 0.835 47 G HN -0.021 nan 8.290 nan 0.000 0.556 48 M N 0.469 120.053 119.600 -0.027 0.000 2.679 48 M HA 0.439 4.919 4.480 0.000 0.000 0.287 48 M C -0.426 175.861 176.300 -0.021 0.000 1.202 48 M CA -0.794 54.494 55.300 -0.020 0.000 0.911 48 M CB 1.473 34.061 32.600 -0.019 0.000 1.556 48 M HN 0.373 nan 8.290 nan 0.000 0.511 49 D N 0.305 120.692 120.400 -0.020 0.000 2.340 49 D HA 0.530 5.171 4.640 0.000 0.000 0.243 49 D C -0.638 175.644 176.300 -0.029 0.000 0.988 49 D CA -0.430 53.556 54.000 -0.025 0.000 0.959 49 D CB 1.329 42.114 40.800 -0.025 0.000 1.226 49 D HN 0.246 nan 8.370 nan 0.000 0.509 50 K N 0.221 120.600 120.400 -0.035 0.000 2.267 50 K HA 0.562 4.883 4.320 0.000 0.000 0.246 50 K C -0.578 175.992 176.600 -0.049 0.000 0.954 50 K CA -0.827 55.438 56.287 -0.037 0.000 0.824 50 K CB 2.559 35.039 32.500 -0.034 0.000 1.167 50 K HN 0.298 nan 8.250 nan 0.000 0.431 51 M N 3.976 123.548 119.600 -0.048 0.000 2.114 51 M HA 0.340 4.820 4.480 0.000 0.000 0.332 51 M C -1.762 174.508 176.300 -0.051 0.000 1.014 51 M CA -0.639 54.623 55.300 -0.062 0.000 0.956 51 M CB 0.539 33.106 32.600 -0.056 0.000 1.551 51 M HN 0.461 nan 8.290 nan 0.000 0.427 52 L N 6.363 127.552 121.223 -0.057 0.000 2.298 52 L HA 0.592 4.932 4.340 0.000 0.000 0.284 52 L C -1.025 175.824 176.870 -0.035 0.000 1.013 52 L CA -1.021 53.795 54.840 -0.040 0.000 0.824 52 L CB 1.419 43.457 42.059 -0.036 0.000 1.221 52 L HN 0.406 nan 8.230 nan 0.000 0.418 53 V N 1.675 121.576 119.914 -0.022 0.000 2.357 53 V HA 0.210 4.330 4.120 0.000 0.000 0.284 53 V C -0.176 175.915 176.094 -0.004 0.000 1.018 53 V CA -0.854 61.440 62.300 -0.010 0.000 0.841 53 V CB 1.407 33.226 31.823 -0.005 0.000 0.991 53 V HN 0.782 nan 8.190 nan 0.000 0.437 54 D N 3.423 123.823 120.400 -0.000 0.000 2.398 54 D HA 0.084 4.725 4.640 0.000 0.000 0.247 54 D C 1.413 177.715 176.300 0.004 0.000 1.227 54 D CA 0.041 54.042 54.000 0.002 0.000 0.980 54 D CB 0.767 41.569 40.800 0.003 0.000 1.106 54 D HN 0.452 nan 8.370 nan 0.000 0.493 55 S N -0.534 115.169 115.700 0.004 0.000 2.493 55 S HA -0.185 4.285 4.470 0.000 0.000 0.243 55 S C 1.559 176.163 174.600 0.006 0.000 0.991 55 S CA 0.546 58.749 58.200 0.005 0.000 0.957 55 S CB -0.592 62.611 63.200 0.004 0.000 0.756 55 S HN 0.572 nan 8.310 nan 0.000 0.521 56 L N -0.212 121.016 121.223 0.007 0.000 2.664 56 L HA 0.462 4.802 4.340 0.000 0.000 0.233 56 L C 1.428 178.305 176.870 0.012 0.000 1.113 56 L CA 0.692 55.538 54.840 0.009 0.000 0.896 56 L CB 0.181 42.245 42.059 0.009 0.000 1.163 56 L HN 0.485 nan 8.230 nan 0.000 0.497 57 G N 0.077 108.885 108.800 0.013 0.000 2.238 57 G HA2 -0.305 3.655 3.960 0.000 0.000 0.217 57 G HA3 -0.305 3.655 3.960 0.000 0.000 0.217 57 G C 0.109 175.026 174.900 0.028 0.000 0.996 57 G CA 0.158 45.269 45.100 0.018 0.000 0.632 57 G HN 0.482 nan 8.290 nan 0.000 0.503 58 D N 0.809 121.226 120.400 0.028 0.000 2.455 58 D HA 0.399 5.040 4.640 0.000 0.000 0.241 58 D C 0.609 176.933 176.300 0.040 0.000 1.138 58 D CA 0.210 54.236 54.000 0.043 0.000 0.877 58 D CB 0.218 41.037 40.800 0.033 0.000 1.187 58 D HN 0.349 nan 8.370 nan 0.000 0.451 59 I N 3.674 124.288 120.570 0.073 0.000 2.378 59 I HA 0.286 4.456 4.170 0.000 0.000 0.291 59 I C -0.665 175.396 176.117 -0.094 0.000 0.992 59 I CA -1.045 60.255 61.300 0.000 0.000 1.154 59 I CB 1.833 39.842 38.000 0.014 0.000 1.315 59 I HN 0.163 nan 8.210 nan 0.000 0.448 60 V N 7.308 127.146 119.914 -0.127 0.000 2.444 60 V HA 0.396 4.517 4.120 0.000 0.000 0.294 60 V C -0.331 175.661 176.094 -0.170 0.000 1.022 60 V CA -0.637 61.579 62.300 -0.140 0.000 0.850 60 V CB 2.200 33.983 31.823 -0.066 0.000 0.992 60 V HN 0.373 nan 8.190 nan 0.000 0.426 61 V N 4.439 124.226 119.914 -0.212 0.000 2.378 61 V HA 0.773 4.893 4.120 0.000 0.000 0.288 61 V C 0.002 176.038 176.094 -0.097 0.000 1.016 61 V CA 0.018 62.224 62.300 -0.157 0.000 0.840 61 V CB 1.725 33.431 31.823 -0.195 0.000 0.994 61 V HN 0.991 nan 8.190 nan 0.000 0.431 62 T N 2.701 117.214 114.554 -0.068 0.000 2.739 62 T HA 0.318 4.669 4.350 0.000 0.000 0.303 62 T C 0.077 174.754 174.700 -0.038 0.000 1.389 62 T CA -0.270 61.801 62.100 -0.048 0.000 1.001 62 T CB 2.020 70.859 68.868 -0.047 0.000 1.436 62 T HN 0.633 nan 8.240 nan 0.000 0.500 63 N N 0.558 119.240 118.700 -0.031 0.000 2.166 63 N HA 0.079 4.820 4.740 0.000 0.000 0.213 63 N C -0.415 175.079 175.510 -0.027 0.000 1.222 63 N CA -0.005 53.029 53.050 -0.027 0.000 0.900 63 N CB 0.514 38.989 38.487 -0.020 0.000 1.055 63 N HN 0.657 nan 8.380 nan 0.000 0.515 64 D N 0.031 120.414 120.400 -0.029 0.000 2.382 64 D HA 0.202 4.843 4.640 0.000 0.000 0.259 64 D C 1.513 177.798 176.300 -0.026 0.000 1.224 64 D CA 0.271 54.254 54.000 -0.028 0.000 0.894 64 D CB 1.030 41.811 40.800 -0.031 0.000 1.127 64 D HN 0.275 nan 8.370 nan 0.000 0.487 65 G N 3.496 112.282 108.800 -0.024 0.000 2.491 65 G HA2 -0.319 3.641 3.960 0.000 0.000 0.218 65 G HA3 -0.319 3.641 3.960 0.000 0.000 0.218 65 G C 1.496 176.384 174.900 -0.020 0.000 1.180 65 G CA 0.937 46.024 45.100 -0.023 0.000 0.774 65 G HN 0.657 nan 8.290 nan 0.000 0.562 66 A N 0.066 122.875 122.820 -0.018 0.000 1.892 66 A HA -0.081 4.240 4.320 0.000 0.000 0.218 66 A C 2.549 180.123 177.584 -0.017 0.000 1.188 66 A CA 2.697 54.724 52.037 -0.015 0.000 0.631 66 A CB -1.124 17.868 19.000 -0.014 0.000 0.822 66 A HN 0.337 nan 8.150 nan 0.000 0.447 67 T N 0.328 114.869 114.554 -0.021 0.000 2.708 67 T HA -0.124 4.226 4.350 0.000 0.000 0.266 67 T C 1.810 176.497 174.700 -0.022 0.000 1.037 67 T CA 1.571 63.658 62.100 -0.022 0.000 1.146 67 T CB -0.463 68.388 68.868 -0.029 0.000 0.865 67 T HN 0.426 nan 8.240 nan 0.000 0.435 68 I N 0.758 121.314 120.570 -0.024 0.000 2.194 68 I HA -0.179 3.991 4.170 0.000 0.000 0.246 68 I C 2.225 178.331 176.117 -0.018 0.000 1.093 68 I CA 1.357 62.643 61.300 -0.023 0.000 1.355 68 I CB -0.385 37.600 38.000 -0.025 0.000 1.046 68 I HN 0.212 nan 8.210 nan 0.000 0.413 69 L N -0.121 121.093 121.223 -0.016 0.000 2.156 69 L HA -0.182 4.158 4.340 0.000 0.000 0.208 69 L C 2.160 179.026 176.870 -0.008 0.000 1.095 69 L CA 1.240 56.074 54.840 -0.011 0.000 0.770 69 L CB -0.591 41.462 42.059 -0.010 0.000 0.914 69 L HN 0.266 nan 8.230 nan 0.000 0.439 70 D N 0.087 120.482 120.400 -0.009 0.000 2.117 70 D HA -0.180 4.461 4.640 0.000 0.000 0.198 70 D C 2.204 178.500 176.300 -0.007 0.000 0.982 70 D CA 1.198 55.194 54.000 -0.007 0.000 0.828 70 D CB 0.287 41.082 40.800 -0.008 0.000 0.967 70 D HN -0.061 nan 8.370 nan 0.000 0.464 71 K N 0.331 120.725 120.400 -0.010 0.000 2.062 71 K HA 0.040 4.360 4.320 0.000 0.000 0.205 71 K C 1.250 177.845 176.600 -0.008 0.000 1.051 71 K CA -0.043 56.238 56.287 -0.010 0.000 0.941 71 K CB -0.549 31.942 32.500 -0.015 0.000 0.719 71 K HN 0.336 nan 8.250 nan 0.000 0.440 72 I N 2.265 122.829 120.570 -0.010 0.000 2.948 72 I HA -0.139 4.031 4.170 0.000 0.000 0.290 72 I C -0.181 175.934 176.117 -0.003 0.000 1.226 72 I CA 0.272 61.567 61.300 -0.008 0.000 1.413 72 I CB 0.507 38.502 38.000 -0.009 0.000 1.352 72 I HN 0.021 nan 8.210 nan 0.000 0.597 73 D N 7.541 127.940 120.400 -0.001 0.000 2.485 73 D HA 0.317 4.957 4.640 0.000 0.000 0.221 73 D C -0.709 175.594 176.300 0.006 0.000 1.112 73 D CA -0.269 53.732 54.000 0.002 0.000 0.911 73 D CB 0.236 41.038 40.800 0.002 0.000 1.019 73 D HN 0.321 nan 8.370 nan 0.000 0.516 74 L N 2.871 124.099 121.223 0.009 0.000 2.350 74 L HA 0.271 4.611 4.340 0.000 0.000 0.275 74 L C 1.554 178.437 176.870 0.021 0.000 1.099 74 L CA -0.631 54.220 54.840 0.017 0.000 0.808 74 L CB 1.460 43.532 42.059 0.021 0.000 1.149 74 L HN 0.261 nan 8.230 nan 0.000 0.442 75 Q N 0.200 120.020 119.800 0.034 0.000 2.388 75 Q HA 0.042 4.382 4.340 0.000 0.000 0.204 75 Q C 0.351 176.364 176.000 0.021 0.000 0.946 75 Q CA 0.484 56.302 55.803 0.025 0.000 0.880 75 Q CB -0.004 28.752 28.738 0.029 0.000 0.997 75 Q HN 0.567 nan 8.270 nan 0.000 0.552 76 H N 3.049 122.106 119.070 -0.023 0.000 3.034 76 H HA -0.025 4.532 4.556 0.000 0.000 0.324 76 H C -1.563 173.748 175.328 -0.028 0.000 1.015 76 H CA -0.735 55.293 56.048 -0.034 0.000 1.429 76 H CB 1.123 30.856 29.762 -0.048 0.000 1.429 76 H HN -0.078 nan 8.280 nan 0.000 0.585 77 P HA -0.186 nan 4.420 nan 0.000 0.215 77 P C 0.940 178.262 177.300 0.037 0.000 1.153 77 P CA 2.027 65.064 63.100 -0.106 0.000 0.853 77 P CB 0.133 31.728 31.700 -0.175 0.000 0.788 78 A N -0.066 122.882 122.820 0.213 0.000 1.933 78 A HA -0.114 4.206 4.320 0.000 0.000 0.218 78 A C 2.306 179.966 177.584 0.127 0.000 1.175 78 A CA 2.057 54.216 52.037 0.204 0.000 0.628 78 A CB -1.589 17.561 19.000 0.251 0.000 0.814 78 A HN 0.192 nan 8.150 nan 0.000 0.444 79 A N -0.207 122.706 122.820 0.155 0.000 1.877 79 A HA -0.160 4.160 4.320 0.000 0.000 0.216 79 A C 2.092 179.703 177.584 0.045 0.000 1.186 79 A CA 1.764 53.841 52.037 0.066 0.000 0.620 79 A CB -0.476 18.565 19.000 0.069 0.000 0.822 79 A HN 0.500 nan 8.150 nan 0.000 0.443 80 K N -1.108 119.320 120.400 0.047 0.000 2.218 80 K HA -0.116 4.204 4.320 0.000 0.000 0.205 80 K C 1.941 178.553 176.600 0.020 0.000 1.046 80 K CA 1.675 57.977 56.287 0.024 0.000 0.933 80 K CB -0.257 32.251 32.500 0.013 0.000 0.728 80 K HN 0.540 nan 8.250 nan 0.000 0.454 81 M N -0.678 118.938 119.600 0.027 0.000 2.349 81 M HA -0.086 4.394 4.480 0.000 0.000 0.266 81 M C 2.029 178.340 176.300 0.018 0.000 1.076 81 M CA 0.974 56.288 55.300 0.022 0.000 1.126 81 M CB 0.035 32.652 32.600 0.028 0.000 1.392 81 M HN 0.080 nan 8.290 nan 0.000 0.440 82 M N -0.319 119.291 119.600 0.016 0.000 2.254 82 M HA -0.096 4.384 4.480 0.000 0.000 0.265 82 M C 1.783 178.084 176.300 0.003 0.000 1.066 82 M CA 1.228 56.532 55.300 0.007 0.000 1.123 82 M CB -0.165 32.435 32.600 0.000 0.000 1.388 82 M HN 0.009 nan 8.290 nan 0.000 0.425 83 V N -0.031 119.886 119.914 0.005 0.000 2.490 83 V HA -0.274 3.846 4.120 0.000 0.000 0.250 83 V C 1.976 178.071 176.094 0.003 0.000 1.061 83 V CA 1.868 64.169 62.300 0.002 0.000 1.064 83 V CB -0.927 30.898 31.823 0.004 0.000 0.670 83 V HN 0.507 nan 8.190 nan 0.000 0.461 84 E N 0.011 120.215 120.200 0.006 0.000 2.150 84 E HA -0.141 4.210 4.350 0.000 0.000 0.193 84 E C 2.259 178.862 176.600 0.006 0.000 0.985 84 E CA 1.242 57.646 56.400 0.007 0.000 0.814 84 E CB -0.194 29.512 29.700 0.010 0.000 0.752 84 E HN 0.502 nan 8.360 nan 0.000 0.466 85 V N 1.717 121.634 119.914 0.005 0.000 2.255 85 V HA -0.298 3.822 4.120 0.000 0.000 0.247 85 V C 2.428 178.522 176.094 -0.001 0.000 1.051 85 V CA 2.009 64.311 62.300 0.003 0.000 1.018 85 V CB -0.814 31.009 31.823 -0.000 0.000 0.641 85 V HN 0.318 nan 8.190 nan 0.000 0.445 86 A N -0.672 122.145 122.820 -0.004 0.000 1.933 86 A HA -0.234 4.086 4.320 0.000 0.000 0.218 86 A C 2.328 179.910 177.584 -0.004 0.000 1.175 86 A CA 1.982 54.015 52.037 -0.007 0.000 0.628 86 A CB -0.434 18.560 19.000 -0.010 0.000 0.814 86 A HN 0.533 nan 8.150 nan 0.000 0.444 87 K N -1.092 119.307 120.400 -0.001 0.000 2.057 87 K HA -0.074 4.246 4.320 0.000 0.000 0.206 87 K C 2.020 178.621 176.600 0.003 0.000 1.050 87 K CA 1.674 57.961 56.287 0.000 0.000 0.935 87 K CB -0.255 32.246 32.500 0.002 0.000 0.715 87 K HN 0.475 nan 8.250 nan 0.000 0.439 88 T N 0.822 115.378 114.554 0.005 0.000 2.904 88 T HA -0.147 4.204 4.350 0.000 0.000 0.267 88 T C 1.763 176.466 174.700 0.006 0.000 1.059 88 T CA 1.164 63.268 62.100 0.007 0.000 1.137 88 T CB -0.053 68.820 68.868 0.009 0.000 0.879 88 T HN 0.198 nan 8.240 nan 0.000 0.467 89 Q N 1.545 121.347 119.800 0.003 0.000 2.119 89 Q HA -0.108 4.232 4.340 0.000 0.000 0.201 89 Q C 1.823 177.824 176.000 0.002 0.000 0.972 89 Q CA 1.801 57.605 55.803 0.002 0.000 0.847 89 Q CB -0.448 28.288 28.738 -0.002 0.000 0.903 89 Q HN 0.522 nan 8.270 nan 0.000 0.433 90 D N -0.587 119.813 120.400 0.000 0.000 2.117 90 D HA -0.131 4.509 4.640 0.000 0.000 0.198 90 D C 1.470 177.773 176.300 0.005 0.000 0.982 90 D CA 1.273 55.273 54.000 -0.000 0.000 0.828 90 D CB 0.143 40.941 40.800 -0.003 0.000 0.967 90 D HN 0.237 nan 8.370 nan 0.000 0.464 91 K N -0.094 120.311 120.400 0.007 0.000 2.057 91 K HA -0.090 4.230 4.320 0.000 0.000 0.206 91 K C 2.096 178.704 176.600 0.013 0.000 1.050 91 K CA 0.972 57.265 56.287 0.011 0.000 0.935 91 K CB 0.073 32.580 32.500 0.011 0.000 0.715 91 K HN 0.187 nan 8.250 nan 0.000 0.439 92 E N 0.059 120.266 120.200 0.011 0.000 2.042 92 E HA -0.044 4.306 4.350 0.000 0.000 0.189 92 E C 1.792 178.399 176.600 0.013 0.000 0.974 92 E CA 1.154 57.561 56.400 0.013 0.000 0.806 92 E CB 0.065 29.772 29.700 0.012 0.000 0.769 92 E HN 0.263 nan 8.360 nan 0.000 0.451 93 A N -0.455 122.371 122.820 0.010 0.000 2.288 93 A HA 0.449 4.769 4.320 0.000 0.000 0.216 93 A C 1.603 179.192 177.584 0.009 0.000 1.199 93 A CA 1.244 53.287 52.037 0.010 0.000 0.891 93 A CB 0.338 19.342 19.000 0.007 0.000 0.923 93 A HN 0.303 nan 8.150 nan 0.000 0.500 94 G N -0.034 108.771 108.800 0.008 0.000 5.353 94 G HA2 -0.274 3.686 3.960 0.000 0.000 0.283 94 G HA3 -0.274 3.686 3.960 0.000 0.000 0.283 94 G C 0.053 174.952 174.900 -0.000 0.000 1.457 94 G CA 0.373 45.476 45.100 0.006 0.000 0.951 94 G HN 0.474 nan 8.290 nan 0.000 0.731 95 D N 1.439 121.839 120.400 0.001 0.000 2.423 95 D HA 0.506 5.146 4.640 0.000 0.000 0.255 95 D C 1.346 177.643 176.300 -0.005 0.000 1.174 95 D CA 1.400 55.398 54.000 -0.003 0.000 1.008 95 D CB 0.616 41.416 40.800 -0.000 0.000 1.101 95 D HN 1.690 nan 8.370 nan 0.000 0.516 96 G N -0.665 108.130 108.800 -0.009 0.000 2.175 96 G HA2 -0.330 3.630 3.960 0.000 0.000 0.244 96 G HA3 -0.330 3.630 3.960 0.000 0.000 0.244 96 G C 1.162 176.053 174.900 -0.015 0.000 0.982 96 G CA 1.161 46.254 45.100 -0.012 0.000 0.641 96 G HN 0.582 nan 8.290 nan 0.000 0.527 97 T N -1.880 112.665 114.554 -0.014 0.000 2.622 97 T HA -0.155 4.196 4.350 0.000 0.000 0.266 97 T C 2.202 176.890 174.700 -0.020 0.000 1.047 97 T CA 2.706 64.796 62.100 -0.015 0.000 1.159 97 T CB -0.902 67.957 68.868 -0.015 0.000 0.863 97 T HN 0.346 nan 8.240 nan 0.000 0.422 98 T N 1.692 116.232 114.554 -0.023 0.000 2.746 98 T HA -0.085 4.265 4.350 0.000 0.000 0.267 98 T C 2.296 176.976 174.700 -0.033 0.000 1.039 98 T CA 1.795 63.878 62.100 -0.028 0.000 1.142 98 T CB -1.047 67.803 68.868 -0.029 0.000 0.866 98 T HN 0.536 nan 8.240 nan 0.000 0.444 99 T N 2.168 116.702 114.554 -0.033 0.000 2.635 99 T HA -0.160 4.190 4.350 0.000 0.000 0.267 99 T C 2.362 177.035 174.700 -0.045 0.000 1.040 99 T CA 1.458 63.534 62.100 -0.040 0.000 1.156 99 T CB -0.656 68.191 68.868 -0.034 0.000 0.863 99 T HN 0.456 nan 8.240 nan 0.000 0.430 100 A N 0.643 123.442 122.820 -0.036 0.000 1.902 100 A HA -0.055 4.265 4.320 0.000 0.000 0.217 100 A C 2.608 180.169 177.584 -0.039 0.000 1.181 100 A CA 1.465 53.480 52.037 -0.036 0.000 0.623 100 A CB -0.987 18.001 19.000 -0.021 0.000 0.818 100 A HN 0.368 nan 8.150 nan 0.000 0.443 101 V N -0.568 119.326 119.914 -0.033 0.000 2.427 101 V HA -0.195 3.925 4.120 0.000 0.000 0.248 101 V C 2.568 178.636 176.094 -0.043 0.000 1.051 101 V CA 1.838 64.119 62.300 -0.032 0.000 1.048 101 V CB -0.497 31.310 31.823 -0.026 0.000 0.666 101 V HN 0.374 nan 8.190 nan 0.000 0.456 102 V N -0.184 119.700 119.914 -0.049 0.000 2.307 102 V HA -0.241 3.879 4.120 0.000 0.000 0.245 102 V C 2.185 178.234 176.094 -0.076 0.000 1.045 102 V CA 2.111 64.377 62.300 -0.057 0.000 1.024 102 V CB -0.402 31.387 31.823 -0.056 0.000 0.651 102 V HN 0.429 nan 8.190 nan 0.000 0.449 103 I N 0.416 120.932 120.570 -0.090 0.000 2.208 103 I HA -0.274 3.896 4.170 0.000 0.000 0.245 103 I C 2.674 178.705 176.117 -0.144 0.000 1.097 103 I CA 1.574 62.792 61.300 -0.136 0.000 1.363 103 I CB -0.617 37.292 38.000 -0.152 0.000 1.051 103 I HN 0.317 nan 8.210 nan 0.000 0.413 104 A N 0.930 123.690 122.820 -0.099 0.000 1.940 104 A HA -0.144 4.176 4.320 0.000 0.000 0.219 104 A C 2.420 179.973 177.584 -0.052 0.000 1.176 104 A CA 1.972 53.967 52.037 -0.070 0.000 0.631 104 A CB -1.359 17.620 19.000 -0.035 0.000 0.814 104 A HN 0.476 nan 8.150 nan 0.000 0.446 105 G N -0.601 108.168 108.800 -0.052 0.000 2.414 105 G HA2 -0.227 3.734 3.960 0.000 0.000 0.215 105 G HA3 -0.227 3.734 3.960 0.000 0.000 0.215 105 G C 1.464 176.338 174.900 -0.044 0.000 1.188 105 G CA 1.240 46.316 45.100 -0.041 0.000 0.783 105 G HN 0.553 nan 8.290 nan 0.000 0.537 106 E N -0.222 119.938 120.200 -0.067 0.000 2.110 106 E HA -0.076 4.274 4.350 0.000 0.000 0.193 106 E C 2.360 178.921 176.600 -0.064 0.000 0.988 106 E CA 0.397 56.756 56.400 -0.068 0.000 0.804 106 E CB -0.340 29.303 29.700 -0.094 0.000 0.745 106 E HN 0.227 nan 8.360 nan 0.000 0.458 107 L N 0.223 121.382 121.223 -0.108 0.000 2.012 107 L HA -0.160 4.180 4.340 0.000 0.000 0.210 107 L C 2.182 179.124 176.870 0.121 0.000 1.073 107 L CA 1.651 56.431 54.840 -0.101 0.000 0.748 107 L CB -0.786 41.147 42.059 -0.210 0.000 0.891 107 L HN 0.293 nan 8.230 nan 0.000 0.431 108 L N -1.373 119.896 121.223 0.077 0.000 2.083 108 L HA -0.220 4.120 4.340 0.000 0.000 0.209 108 L C 2.716 179.619 176.870 0.055 0.000 1.083 108 L CA 1.180 56.071 54.840 0.085 0.000 0.752 108 L CB -0.495 41.587 42.059 0.038 0.000 0.899 108 L HN 0.278 nan 8.230 nan 0.000 0.433 109 R N 0.395 120.911 120.500 0.027 0.000 2.070 109 R HA -0.166 4.174 4.340 0.000 0.000 0.233 109 R C 2.301 178.622 176.300 0.033 0.000 1.137 109 R CA 1.314 57.422 56.100 0.014 0.000 0.945 109 R CB 0.049 30.346 30.300 -0.006 0.000 0.845 109 R HN 0.129 nan 8.270 nan 0.000 0.430 110 K N 0.212 120.647 120.400 0.058 0.000 2.147 110 K HA -0.069 4.251 4.320 0.000 0.000 0.205 110 K C 1.891 178.558 176.600 0.112 0.000 1.049 110 K CA 1.271 57.609 56.287 0.086 0.000 0.936 110 K CB -0.311 32.254 32.500 0.108 0.000 0.722 110 K HN 0.294 nan 8.250 nan 0.000 0.446 111 A N 1.218 124.120 122.820 0.136 0.000 1.930 111 A HA -0.154 4.167 4.320 0.000 0.000 0.217 111 A C 2.114 179.692 177.584 -0.010 0.000 1.175 111 A CA 1.352 53.407 52.037 0.030 0.000 0.627 111 A CB -0.308 18.686 19.000 -0.010 0.000 0.815 111 A HN 0.388 nan 8.150 nan 0.000 0.443 112 E N -0.129 120.075 120.200 0.007 0.000 2.204 112 E HA -0.173 4.177 4.350 0.000 0.000 0.194 112 E C 1.712 178.309 176.600 -0.006 0.000 0.989 112 E CA 0.913 57.309 56.400 -0.007 0.000 0.824 112 E CB -0.059 29.637 29.700 -0.006 0.000 0.756 112 E HN 0.749 nan 8.360 nan 0.000 0.477 113 E N 0.091 120.294 120.200 0.005 0.000 2.204 113 E HA -0.165 4.186 4.350 0.000 0.000 0.194 113 E C 2.059 178.659 176.600 0.001 0.000 0.989 113 E CA 0.672 57.075 56.400 0.005 0.000 0.824 113 E CB 0.082 29.791 29.700 0.015 0.000 0.756 113 E HN 0.348 nan 8.360 nan 0.000 0.477 114 L N 0.262 121.482 121.223 -0.005 0.000 2.162 114 L HA -0.073 4.267 4.340 0.000 0.000 0.205 114 L C 2.357 179.213 176.870 -0.023 0.000 1.086 114 L CA 0.456 55.288 54.840 -0.014 0.000 0.778 114 L CB -0.256 41.787 42.059 -0.027 0.000 0.928 114 L HN 0.130 nan 8.230 nan 0.000 0.446 115 L N -0.317 120.887 121.223 -0.032 0.000 2.046 115 L HA -0.231 4.110 4.340 0.000 0.000 0.208 115 L C 2.311 179.165 176.870 -0.027 0.000 1.077 115 L CA 1.245 56.062 54.840 -0.037 0.000 0.747 115 L CB -0.533 41.501 42.059 -0.041 0.000 0.896 115 L HN 0.307 nan 8.230 nan 0.000 0.432 116 D N -0.307 120.082 120.400 -0.019 0.000 2.263 116 D HA -0.226 4.414 4.640 0.000 0.000 0.208 116 D C 2.013 178.307 176.300 -0.011 0.000 0.971 116 D CA 0.949 54.941 54.000 -0.014 0.000 0.867 116 D CB 0.211 41.005 40.800 -0.009 0.000 0.929 116 D HN 0.401 nan 8.370 nan 0.000 0.492 117 Q N 0.379 120.173 119.800 -0.009 0.000 2.403 117 Q HA -0.014 4.326 4.340 0.000 0.000 0.203 117 Q C -0.355 175.642 176.000 -0.006 0.000 0.932 117 Q CA 0.214 56.014 55.803 -0.005 0.000 0.945 117 Q CB -0.023 28.714 28.738 -0.002 0.000 1.045 117 Q HN 0.209 nan 8.270 nan 0.000 0.511 118 N N 0.144 118.837 118.700 -0.011 0.000 2.816 118 N HA -0.141 4.599 4.740 0.000 0.000 0.247 118 N C -1.281 174.228 175.510 -0.001 0.000 1.100 118 N CA 0.104 53.146 53.050 -0.012 0.000 0.687 118 N CB -0.997 37.486 38.487 -0.007 0.000 1.003 118 N HN 0.278 nan 8.380 nan 0.000 0.554 119 I N 1.437 122.005 120.570 -0.003 0.000 2.307 119 I HA 0.085 4.255 4.170 0.000 0.000 0.289 119 I C 0.992 177.130 176.117 0.035 0.000 1.021 119 I CA -0.621 60.690 61.300 0.018 0.000 1.224 119 I CB 0.534 38.536 38.000 0.003 0.000 1.376 119 I HN 0.216 nan 8.210 nan 0.000 0.470 120 H N 9.878 128.931 119.070 -0.028 0.000 3.195 120 H HA -0.035 4.521 4.556 0.000 0.000 0.302 120 H C -1.504 173.799 175.328 -0.041 0.000 0.950 120 H CA -0.759 55.272 56.048 -0.028 0.000 1.398 120 H CB 1.102 30.851 29.762 -0.022 0.000 1.377 120 H HN 0.414 nan 8.280 nan 0.000 0.572 121 P HA -0.166 nan 4.420 nan 0.000 0.221 121 P C 1.615 179.008 177.300 0.155 0.000 1.145 121 P CA 1.162 64.292 63.100 0.051 0.000 0.795 121 P CB 0.256 31.933 31.700 -0.038 0.000 0.775 122 S N -0.842 115.117 115.700 0.431 0.000 2.382 122 S HA -0.098 4.373 4.470 0.000 0.000 0.228 122 S C 1.887 176.504 174.600 0.028 0.000 1.027 122 S CA 0.770 59.050 58.200 0.133 0.000 0.991 122 S CB -0.607 62.520 63.200 -0.121 0.000 0.823 122 S HN -0.101 nan 8.310 nan 0.000 0.469 123 I N 1.631 122.223 120.570 0.037 0.000 2.233 123 I HA -0.086 4.084 4.170 0.000 0.000 0.243 123 I C 2.199 178.297 176.117 -0.031 0.000 1.093 123 I CA 1.095 62.391 61.300 -0.008 0.000 1.380 123 I CB -1.322 36.678 38.000 0.001 0.000 1.067 123 I HN 0.349 nan 8.210 nan 0.000 0.413 124 I N 0.409 120.943 120.570 -0.061 0.000 2.163 124 I HA -0.315 3.855 4.170 0.000 0.000 0.243 124 I C 2.574 178.555 176.117 -0.227 0.000 1.085 124 I CA 1.566 62.748 61.300 -0.197 0.000 1.347 124 I CB -0.772 37.072 38.000 -0.260 0.000 1.044 124 I HN 0.198 nan 8.210 nan 0.000 0.408 125 T N 0.569 115.057 114.554 -0.110 0.000 2.684 125 T HA -0.251 4.099 4.350 0.000 0.000 0.267 125 T C 1.989 176.711 174.700 0.037 0.000 1.036 125 T CA 1.726 63.812 62.100 -0.022 0.000 1.148 125 T CB -0.158 68.720 68.868 0.015 0.000 0.863 125 T HN 0.300 nan 8.240 nan 0.000 0.436 126 K N 0.084 120.494 120.400 0.016 0.000 2.026 126 K HA -0.076 4.245 4.320 0.000 0.000 0.208 126 K C 2.482 179.109 176.600 0.045 0.000 1.048 126 K CA 1.505 57.807 56.287 0.025 0.000 0.929 126 K CB -0.637 31.864 32.500 0.001 0.000 0.713 126 K HN 0.358 nan 8.250 nan 0.000 0.439 127 G N 0.047 108.872 108.800 0.041 0.000 2.440 127 G HA2 -0.262 3.698 3.960 0.000 0.000 0.218 127 G HA3 -0.262 3.698 3.960 0.000 0.000 0.218 127 G C 1.417 176.423 174.900 0.176 0.000 1.154 127 G CA 0.924 46.070 45.100 0.077 0.000 0.767 127 G HN 0.417 nan 8.290 nan 0.000 0.552 128 Y N 0.866 121.179 120.300 0.021 0.000 2.181 128 Y HA -0.102 4.448 4.550 0.000 0.000 0.288 128 Y C 3.269 179.103 175.900 -0.111 0.000 1.146 128 Y CA 0.353 58.474 58.100 0.035 0.000 1.164 128 Y CB 0.033 38.625 38.460 0.220 0.000 0.982 128 Y HN 0.315 nan 8.280 nan 0.000 0.515 129 A N 0.156 123.055 122.820 0.132 0.000 1.933 129 A HA -0.165 4.155 4.320 0.000 0.000 0.218 129 A C 2.167 179.736 177.584 -0.024 0.000 1.175 129 A CA 1.212 53.276 52.037 0.045 0.000 0.628 129 A CB -0.928 18.107 19.000 0.058 0.000 0.814 129 A HN 0.463 nan 8.150 nan 0.000 0.444 130 L N -0.909 120.315 121.223 0.000 0.000 2.017 130 L HA -0.196 4.144 4.340 0.000 0.000 0.208 130 L C 3.135 180.002 176.870 -0.005 0.000 1.073 130 L CA 1.149 56.017 54.840 0.046 0.000 0.745 130 L CB -0.531 41.594 42.059 0.109 0.000 0.894 130 L HN 0.448 nan 8.230 nan 0.000 0.432 131 A N -0.165 122.549 122.820 -0.177 0.000 1.902 131 A HA -0.169 4.151 4.320 0.000 0.000 0.217 131 A C 2.503 179.686 177.584 -0.669 0.000 1.181 131 A CA 1.682 53.441 52.037 -0.464 0.000 0.623 131 A CB -0.687 17.747 19.000 -0.942 0.000 0.818 131 A HN 0.423 nan 8.150 nan 0.000 0.443 132 A N -0.253 122.155 122.820 -0.687 0.000 1.883 132 A HA -0.170 4.150 4.320 0.000 0.000 0.217 132 A C 1.911 179.404 177.584 -0.151 0.000 1.186 132 A CA 2.056 53.905 52.037 -0.313 0.000 0.624 132 A CB -0.564 18.384 19.000 -0.088 0.000 0.822 132 A HN 0.482 nan 8.150 nan 0.000 0.444 133 E N -0.474 119.649 120.200 -0.129 0.000 2.077 133 E HA -0.177 4.174 4.350 0.000 0.000 0.193 133 E C 2.052 178.569 176.600 -0.139 0.000 0.989 133 E CA 1.585 57.930 56.400 -0.093 0.000 0.800 133 E CB -0.138 29.524 29.700 -0.063 0.000 0.746 133 E HN 0.501 nan 8.360 nan 0.000 0.452 134 K N 0.271 120.538 120.400 -0.221 0.000 2.211 134 K HA 0.035 4.356 4.320 0.000 0.000 0.203 134 K C 1.707 178.184 176.600 -0.205 0.000 1.050 134 K CA 1.111 57.204 56.287 -0.323 0.000 0.945 134 K CB -0.346 31.763 32.500 -0.651 0.000 0.732 134 K HN 0.126 nan 8.250 nan 0.000 0.451 135 A N 0.500 123.233 122.820 -0.146 0.000 1.902 135 A HA -0.178 4.143 4.320 0.000 0.000 0.217 135 A C 1.987 179.549 177.584 -0.036 0.000 1.181 135 A CA 1.396 53.403 52.037 -0.051 0.000 0.623 135 A CB -0.496 18.525 19.000 0.035 0.000 0.818 135 A HN 0.327 nan 8.150 nan 0.000 0.443 136 Q N -0.032 119.744 119.800 -0.041 0.000 2.084 136 Q HA -0.192 4.148 4.340 0.000 0.000 0.202 136 Q C 1.882 177.859 176.000 -0.037 0.000 0.978 136 Q CA 1.783 57.570 55.803 -0.027 0.000 0.844 136 Q CB -0.476 28.249 28.738 -0.022 0.000 0.898 136 Q HN 0.824 nan 8.270 nan 0.000 0.426 137 E N 0.414 120.576 120.200 -0.063 0.000 2.058 137 E HA -0.152 4.198 4.350 0.000 0.000 0.194 137 E C 2.167 178.737 176.600 -0.051 0.000 0.997 137 E CA 1.011 57.373 56.400 -0.063 0.000 0.801 137 E CB -0.204 29.438 29.700 -0.097 0.000 0.746 137 E HN 0.324 nan 8.360 nan 0.000 0.450 138 I N 1.051 121.585 120.570 -0.060 0.000 2.226 138 I HA -0.291 3.880 4.170 0.000 0.000 0.245 138 I C 2.416 178.524 176.117 -0.014 0.000 1.100 138 I CA 1.007 62.285 61.300 -0.037 0.000 1.374 138 I CB -0.298 37.680 38.000 -0.037 0.000 1.057 138 I HN 0.112 nan 8.210 nan 0.000 0.413 139 L N 0.280 121.496 121.223 -0.011 0.000 2.017 139 L HA -0.238 4.102 4.340 0.000 0.000 0.208 139 L C 2.193 179.063 176.870 -0.000 0.000 1.073 139 L CA 1.330 56.171 54.840 0.001 0.000 0.745 139 L CB -0.680 41.381 42.059 0.004 0.000 0.894 139 L HN 0.263 nan 8.230 nan 0.000 0.432 140 D N -0.435 119.960 120.400 -0.007 0.000 2.178 140 D HA -0.212 4.428 4.640 0.000 0.000 0.201 140 D C 2.029 178.327 176.300 -0.004 0.000 0.980 140 D CA 1.092 55.089 54.000 -0.005 0.000 0.842 140 D CB 0.106 40.900 40.800 -0.010 0.000 0.948 140 D HN 0.427 nan 8.370 nan 0.000 0.472 141 E N 0.398 120.593 120.200 -0.008 0.000 2.076 141 E HA -0.075 4.276 4.350 0.000 0.000 0.190 141 E C 2.228 178.829 176.600 0.001 0.000 0.979 141 E CA 0.348 56.744 56.400 -0.006 0.000 0.807 141 E CB 0.094 29.787 29.700 -0.012 0.000 0.761 141 E HN 0.375 nan 8.360 nan 0.000 0.454 142 I N -1.485 119.089 120.570 0.006 0.000 3.578 142 I HA 0.270 4.440 4.170 0.000 0.000 0.295 142 I C 0.801 176.926 176.117 0.014 0.000 1.280 142 I CA -0.248 61.061 61.300 0.014 0.000 1.347 142 I CB -0.049 37.967 38.000 0.027 0.000 1.051 142 I HN -0.115 nan 8.210 nan 0.000 0.460 143 A N 2.375 125.201 122.820 0.011 0.000 2.546 143 A HA 0.361 4.681 4.320 0.000 0.000 0.243 143 A C 0.122 177.713 177.584 0.010 0.000 1.063 143 A CA 0.005 52.049 52.037 0.011 0.000 0.757 143 A CB -0.251 18.755 19.000 0.009 0.000 0.991 143 A HN 0.458 nan 8.150 nan 0.000 0.503 144 I N 3.421 123.997 120.570 0.011 0.000 2.322 144 I HA 0.147 4.318 4.170 0.000 0.000 0.292 144 I C 0.622 176.746 176.117 0.011 0.000 1.060 144 I CA -0.026 61.280 61.300 0.010 0.000 1.309 144 I CB 0.556 38.562 38.000 0.010 0.000 1.415 144 I HN 0.664 nan 8.210 nan 0.000 0.492 145 R N 5.586 126.093 120.500 0.010 0.000 2.389 145 R HA 0.457 4.797 4.340 0.000 0.000 0.295 145 R C -0.367 175.941 176.300 0.013 0.000 1.075 145 R CA -0.280 55.828 56.100 0.013 0.000 1.005 145 R CB 1.089 31.396 30.300 0.013 0.000 0.987 145 R HN 0.573 nan 8.270 nan 0.000 0.452 146 V N -1.391 118.533 119.914 0.016 0.000 3.160 146 V HA 0.409 4.529 4.120 0.000 0.000 0.310 146 V C -0.660 175.448 176.094 0.023 0.000 1.181 146 V CA -1.261 61.048 62.300 0.016 0.000 1.047 146 V CB 2.271 34.100 31.823 0.010 0.000 1.068 146 V HN 0.538 nan 8.190 nan 0.000 0.441 147 D N 2.680 123.094 120.400 0.023 0.000 2.358 147 D HA 0.382 5.022 4.640 0.000 0.000 0.258 147 D C -1.722 174.597 176.300 0.031 0.000 1.223 147 D CA -1.043 52.979 54.000 0.037 0.000 0.886 147 D CB 1.700 42.520 40.800 0.033 0.000 1.120 147 D HN 0.460 nan 8.370 nan 0.000 0.482 148 P HA -0.173 nan 4.420 nan 0.000 0.218 148 P C 0.233 177.472 177.300 -0.102 0.000 1.150 148 P CA 1.153 64.267 63.100 0.022 0.000 0.841 148 P CB 0.142 31.940 31.700 0.163 0.000 0.784 149 D N -2.261 118.099 120.400 -0.067 0.000 2.559 149 D HA 0.037 4.677 4.640 0.000 0.000 0.234 149 D C -0.309 175.961 176.300 -0.050 0.000 1.226 149 D CA -0.261 53.657 54.000 -0.137 0.000 0.830 149 D CB -0.615 40.110 40.800 -0.125 0.000 1.028 149 D HN 0.058 nan 8.370 nan 0.000 0.492 150 D N 1.581 121.964 120.400 -0.029 0.000 2.346 150 D HA -0.036 4.604 4.640 0.000 0.000 0.260 150 D C 1.304 177.592 176.300 -0.020 0.000 1.252 150 D CA -0.014 53.979 54.000 -0.012 0.000 0.895 150 D CB 1.053 41.851 40.800 -0.003 0.000 1.097 150 D HN -0.113 nan 8.370 nan 0.000 0.489 151 E N 3.256 123.446 120.200 -0.015 0.000 2.026 151 E HA -0.289 4.061 4.350 0.000 0.000 0.206 151 E C 1.390 177.984 176.600 -0.010 0.000 1.028 151 E CA 1.307 57.698 56.400 -0.015 0.000 0.845 151 E CB -0.132 29.564 29.700 -0.007 0.000 0.772 151 E HN 0.799 nan 8.360 nan 0.000 0.462 152 E N -0.245 119.952 120.200 -0.005 0.000 2.048 152 E HA -0.233 4.117 4.350 0.000 0.000 0.202 152 E C 2.071 178.670 176.600 -0.003 0.000 1.021 152 E CA 2.650 59.048 56.400 -0.002 0.000 0.825 152 E CB -0.165 29.535 29.700 -0.000 0.000 0.756 152 E HN 0.370 nan 8.360 nan 0.000 0.454 153 T N -0.925 113.627 114.554 -0.003 0.000 2.881 153 T HA -0.147 4.203 4.350 0.000 0.000 0.270 153 T C 1.887 176.584 174.700 -0.005 0.000 1.068 153 T CA 0.974 63.073 62.100 -0.002 0.000 1.131 153 T CB -0.193 68.674 68.868 -0.001 0.000 0.871 153 T HN 0.056 nan 8.240 nan 0.000 0.479 154 L N 0.360 121.575 121.223 -0.013 0.000 2.027 154 L HA 0.121 4.461 4.340 0.000 0.000 0.206 154 L C 2.526 179.392 176.870 -0.007 0.000 1.074 154 L CA 1.143 55.972 54.840 -0.018 0.000 0.745 154 L CB -0.950 41.089 42.059 -0.034 0.000 0.898 154 L HN 0.243 nan 8.230 nan 0.000 0.433 155 L N -0.473 120.747 121.223 -0.004 0.000 2.079 155 L HA -0.235 4.106 4.340 0.000 0.000 0.210 155 L C 2.416 179.290 176.870 0.007 0.000 1.081 155 L CA 1.664 56.505 54.840 0.003 0.000 0.752 155 L CB -1.183 40.878 42.059 0.002 0.000 0.896 155 L HN 0.361 nan 8.230 nan 0.000 0.433 156 K N -0.853 119.551 120.400 0.006 0.000 2.057 156 K HA -0.104 4.216 4.320 0.000 0.000 0.206 156 K C 2.023 178.632 176.600 0.014 0.000 1.050 156 K CA 0.739 57.032 56.287 0.010 0.000 0.935 156 K CB 0.029 32.535 32.500 0.010 0.000 0.715 156 K HN 0.132 nan 8.250 nan 0.000 0.439 157 I N 1.575 122.151 120.570 0.010 0.000 2.127 157 I HA -0.265 3.905 4.170 0.000 0.000 0.241 157 I C 2.547 178.674 176.117 0.015 0.000 1.075 157 I CA 1.429 62.735 61.300 0.011 0.000 1.334 157 I CB -1.382 36.622 38.000 0.005 0.000 1.040 157 I HN 0.123 nan 8.210 nan 0.000 0.405 158 A N 1.030 123.859 122.820 0.014 0.000 1.851 158 A HA -0.198 4.122 4.320 0.000 0.000 0.216 158 A C 2.590 180.189 177.584 0.025 0.000 1.195 158 A CA 2.585 54.634 52.037 0.020 0.000 0.622 158 A CB -1.098 17.914 19.000 0.021 0.000 0.831 158 A HN 0.433 nan 8.150 nan 0.000 0.444 159 A N -1.425 121.409 122.820 0.023 0.000 1.908 159 A HA -0.127 4.193 4.320 0.000 0.000 0.218 159 A C 2.304 179.908 177.584 0.033 0.000 1.181 159 A CA 2.455 54.508 52.037 0.026 0.000 0.627 159 A CB -1.377 17.634 19.000 0.018 0.000 0.818 159 A HN 0.460 nan 8.150 nan 0.000 0.445 160 T N -0.698 113.876 114.554 0.033 0.000 2.788 160 T HA -0.130 4.220 4.350 0.000 0.000 0.268 160 T C 2.292 177.015 174.700 0.038 0.000 1.044 160 T CA 1.708 63.833 62.100 0.042 0.000 1.139 160 T CB -0.276 68.613 68.868 0.036 0.000 0.867 160 T HN 0.593 nan 8.240 nan 0.000 0.454 161 S N 0.772 116.489 115.700 0.028 0.000 2.345 161 S HA -0.027 4.443 4.470 0.000 0.000 0.220 161 S C 2.042 176.657 174.600 0.026 0.000 1.031 161 S CA 0.916 59.130 58.200 0.023 0.000 0.996 161 S CB -0.478 62.733 63.200 0.018 0.000 0.882 161 S HN 0.493 nan 8.310 nan 0.000 0.445 162 I N 1.449 122.037 120.570 0.030 0.000 2.423 162 I HA -0.087 4.083 4.170 0.000 0.000 0.254 162 I C 1.525 177.667 176.117 0.042 0.000 1.151 162 I CA 0.919 62.238 61.300 0.033 0.000 1.421 162 I CB -0.738 37.284 38.000 0.038 0.000 1.079 162 I HN 0.383 nan 8.210 nan 0.000 0.431 163 T N -0.078 114.509 114.554 0.054 0.000 2.919 163 T HA 0.341 4.692 4.350 0.000 0.000 0.302 163 T C 1.042 175.787 174.700 0.075 0.000 1.031 163 T CA 0.451 62.600 62.100 0.082 0.000 1.127 163 T CB 1.156 70.103 68.868 0.131 0.000 0.952 163 T HN 0.642 nan 8.240 nan 0.000 0.540 164 G N 2.941 111.791 108.800 0.084 0.000 2.157 164 G HA2 -0.168 3.793 3.960 0.000 0.000 0.239 164 G HA3 -0.168 3.793 3.960 0.000 0.000 0.239 164 G C -0.047 174.869 174.900 0.027 0.000 0.982 164 G CA 0.364 45.493 45.100 0.049 0.000 0.650 164 G HN 0.900 nan 8.290 nan 0.000 0.527 165 K N -0.892 119.526 120.400 0.030 0.000 2.352 165 K HA 0.526 4.846 4.320 0.000 0.000 0.240 165 K C 0.957 177.573 176.600 0.026 0.000 1.017 165 K CA -0.476 55.822 56.287 0.018 0.000 0.851 165 K CB 1.109 33.617 32.500 0.012 0.000 1.261 165 K HN 0.012 nan 8.250 nan 0.000 0.451 166 N N 0.937 119.649 118.700 0.020 0.000 2.094 166 N HA -0.225 4.515 4.740 0.000 0.000 0.191 166 N C 1.284 176.825 175.510 0.051 0.000 1.023 166 N CA 1.878 54.946 53.050 0.030 0.000 0.857 166 N CB -0.011 38.490 38.487 0.024 0.000 1.013 166 N HN 0.646 nan 8.380 nan 0.000 0.426 167 A N 0.504 123.357 122.820 0.055 0.000 2.239 167 A HA -0.080 4.240 4.320 0.000 0.000 0.209 167 A C 1.677 179.319 177.584 0.096 0.000 1.171 167 A CA 0.899 52.992 52.037 0.093 0.000 0.768 167 A CB -0.704 18.336 19.000 0.067 0.000 0.790 167 A HN 0.708 nan 8.150 nan 0.000 0.478 168 E N -0.031 120.202 120.200 0.054 0.000 2.267 168 E HA -0.172 4.178 4.350 0.000 0.000 0.197 168 E C 1.556 178.146 176.600 -0.017 0.000 0.998 168 E CA 1.374 57.793 56.400 0.033 0.000 0.830 168 E CB -0.514 29.209 29.700 0.040 0.000 0.751 168 E HN 0.418 nan 8.360 nan 0.000 0.491 169 S N 0.571 116.235 115.700 -0.060 0.000 2.402 169 S HA -0.164 4.306 4.470 0.000 0.000 0.233 169 S C 0.423 174.738 174.600 -0.474 0.000 1.030 169 S CA 1.629 59.663 58.200 -0.277 0.000 1.003 169 S CB -0.292 62.688 63.200 -0.366 0.000 0.813 169 S HN 0.567 nan 8.310 nan 0.000 0.477 170 H N 0.135 119.209 119.070 0.007 0.000 2.505 170 H HA 0.259 4.816 4.556 0.000 0.000 0.260 170 H C 1.167 176.501 175.328 0.009 0.000 1.168 170 H CA -0.378 55.674 56.048 0.007 0.000 0.945 170 H CB 0.069 29.838 29.762 0.012 0.000 1.800 170 H HN 0.381 nan 8.280 nan 0.000 0.586 171 K N 0.484 120.923 120.400 0.065 0.000 2.103 171 K HA -0.222 4.098 4.320 0.000 0.000 0.207 171 K C 1.680 178.308 176.600 0.048 0.000 1.048 171 K CA 1.789 58.107 56.287 0.052 0.000 0.930 171 K CB 0.295 32.810 32.500 0.026 0.000 0.716 171 K HN 0.388 nan 8.250 nan 0.000 0.444 172 E N 0.806 121.029 120.200 0.038 0.000 2.038 172 E HA -0.215 4.135 4.350 0.000 0.000 0.195 172 E C 2.043 178.669 176.600 0.044 0.000 1.000 172 E CA 1.266 57.685 56.400 0.031 0.000 0.803 172 E CB -0.085 29.627 29.700 0.020 0.000 0.750 172 E HN 0.338 nan 8.360 nan 0.000 0.448 173 L N 1.096 122.358 121.223 0.064 0.000 2.017 173 L HA -0.176 4.164 4.340 0.000 0.000 0.208 173 L C 2.152 179.055 176.870 0.055 0.000 1.073 173 L CA 1.643 56.519 54.840 0.059 0.000 0.745 173 L CB -0.642 41.459 42.059 0.071 0.000 0.894 173 L HN 0.217 nan 8.230 nan 0.000 0.432 174 L N -0.319 120.945 121.223 0.069 0.000 2.017 174 L HA -0.189 4.151 4.340 0.000 0.000 0.208 174 L C 2.754 179.658 176.870 0.056 0.000 1.073 174 L CA 1.346 56.225 54.840 0.065 0.000 0.745 174 L CB -1.160 40.943 42.059 0.072 0.000 0.894 174 L HN 0.414 nan 8.230 nan 0.000 0.432 175 A N -0.027 122.822 122.820 0.048 0.000 1.908 175 A HA -0.277 4.043 4.320 0.000 0.000 0.218 175 A C 2.406 180.009 177.584 0.031 0.000 1.181 175 A CA 2.096 54.156 52.037 0.037 0.000 0.627 175 A CB -0.509 18.509 19.000 0.029 0.000 0.818 175 A HN 0.336 nan 8.150 nan 0.000 0.445 176 K N -0.389 120.030 120.400 0.030 0.000 2.009 176 K HA -0.122 4.198 4.320 0.000 0.000 0.210 176 K C 1.938 178.553 176.600 0.023 0.000 1.049 176 K CA 1.682 57.983 56.287 0.023 0.000 0.929 176 K CB -0.370 32.144 32.500 0.023 0.000 0.714 176 K HN 0.498 nan 8.250 nan 0.000 0.440 177 L N 0.393 121.635 121.223 0.033 0.000 2.042 177 L HA -0.209 4.131 4.340 0.000 0.000 0.210 177 L C 2.638 179.528 176.870 0.034 0.000 1.076 177 L CA 1.295 56.155 54.840 0.033 0.000 0.749 177 L CB -0.628 41.460 42.059 0.048 0.000 0.893 177 L HN 0.303 nan 8.230 nan 0.000 0.432 178 A N -0.044 122.806 122.820 0.051 0.000 1.845 178 A HA -0.170 4.150 4.320 0.000 0.000 0.215 178 A C 2.352 179.949 177.584 0.023 0.000 1.195 178 A CA 2.023 54.094 52.037 0.056 0.000 0.616 178 A CB -1.002 18.039 19.000 0.068 0.000 0.832 178 A HN 0.162 nan 8.150 nan 0.000 0.443 179 V N 0.108 120.030 119.914 0.012 0.000 2.332 179 V HA -0.304 3.816 4.120 0.000 0.000 0.248 179 V C 2.558 178.642 176.094 -0.017 0.000 1.055 179 V CA 2.475 64.770 62.300 -0.008 0.000 1.038 179 V CB -0.785 31.033 31.823 -0.009 0.000 0.651 179 V HN 0.756 nan 8.190 nan 0.000 0.450 180 E N -0.059 120.136 120.200 -0.008 0.000 2.051 180 E HA -0.220 4.130 4.350 0.000 0.000 0.192 180 E C 2.291 178.878 176.600 -0.021 0.000 0.991 180 E CA 1.313 57.705 56.400 -0.012 0.000 0.799 180 E CB -0.235 29.463 29.700 -0.004 0.000 0.748 180 E HN 0.562 nan 8.360 nan 0.000 0.449 181 A N 0.566 123.372 122.820 -0.023 0.000 1.865 181 A HA -0.189 4.132 4.320 0.000 0.000 0.217 181 A C 2.440 179.998 177.584 -0.043 0.000 1.191 181 A CA 1.796 53.806 52.037 -0.044 0.000 0.623 181 A CB -0.956 18.004 19.000 -0.067 0.000 0.826 181 A HN 0.229 nan 8.150 nan 0.000 0.444 182 V N 0.060 119.953 119.914 -0.035 0.000 2.255 182 V HA -0.312 3.808 4.120 0.000 0.000 0.247 182 V C 2.516 178.579 176.094 -0.052 0.000 1.051 182 V CA 2.477 64.754 62.300 -0.039 0.000 1.018 182 V CB -0.735 31.067 31.823 -0.035 0.000 0.641 182 V HN 0.567 nan 8.190 nan 0.000 0.445 183 K N -0.557 119.804 120.400 -0.064 0.000 2.074 183 K HA -0.320 4.000 4.320 0.000 0.000 0.209 183 K C 2.312 178.894 176.600 -0.029 0.000 1.048 183 K CA 2.186 58.426 56.287 -0.077 0.000 0.926 183 K CB -0.166 32.295 32.500 -0.065 0.000 0.713 183 K HN 0.413 nan 8.250 nan 0.000 0.444 184 Q N 0.502 120.292 119.800 -0.018 0.000 2.046 184 Q HA -0.117 4.223 4.340 0.000 0.000 0.200 184 Q C 1.785 177.788 176.000 0.006 0.000 0.975 184 Q CA 1.806 57.608 55.803 -0.002 0.000 0.836 184 Q CB 0.030 28.762 28.738 -0.009 0.000 0.896 184 Q HN 0.276 nan 8.270 nan 0.000 0.428 185 V N -1.834 118.075 119.914 -0.007 0.000 3.306 185 V HA 0.407 4.527 4.120 0.000 0.000 0.264 185 V C 0.916 177.024 176.094 0.023 0.000 1.149 185 V CA 0.279 62.578 62.300 -0.002 0.000 1.143 185 V CB -1.327 30.482 31.823 -0.024 0.000 0.767 185 V HN 0.322 nan 8.190 nan 0.000 0.476 186 A N 1.178 124.019 122.820 0.036 0.000 2.498 186 A HA 0.408 4.728 4.320 0.000 0.000 0.239 186 A C 0.314 177.994 177.584 0.161 0.000 1.068 186 A CA 0.103 52.194 52.037 0.091 0.000 0.766 186 A CB 0.006 19.037 19.000 0.051 0.000 1.003 186 A HN 0.545 nan 8.150 nan 0.000 0.497 187 E N 1.104 121.403 120.200 0.165 0.000 2.210 187 E HA 0.343 4.694 4.350 0.000 0.000 0.266 187 E C -0.838 175.809 176.600 0.079 0.000 0.883 187 E CA -0.519 55.945 56.400 0.108 0.000 0.761 187 E CB 2.078 31.808 29.700 0.050 0.000 1.156 187 E HN 0.629 nan 8.360 nan 0.000 0.412 188 K N 2.444 122.806 120.400 -0.063 0.000 2.292 188 K HA 0.288 4.608 4.320 0.000 0.000 0.257 188 K C 0.060 176.557 176.600 -0.171 0.000 0.940 188 K CA -0.420 55.697 56.287 -0.284 0.000 0.811 188 K CB 0.901 32.943 32.500 -0.762 0.000 1.120 188 K HN 0.099 nan 8.250 nan 0.000 0.428 189 K N 1.888 122.205 120.400 -0.138 0.000 2.102 189 K HA 0.042 4.362 4.320 0.000 0.000 0.206 189 K C 0.843 177.384 176.600 -0.099 0.000 1.031 189 K CA 1.124 57.358 56.287 -0.088 0.000 0.962 189 K CB 0.018 32.485 32.500 -0.054 0.000 0.811 189 K HN 0.621 nan 8.250 nan 0.000 0.453 190 D N -1.100 119.238 120.400 -0.104 0.000 2.855 190 D HA 0.119 4.760 4.640 0.000 0.000 0.257 190 D C 1.405 177.631 176.300 -0.123 0.000 1.542 190 D CA 0.664 54.610 54.000 -0.090 0.000 1.164 190 D CB -0.493 40.273 40.800 -0.057 0.000 1.004 190 D HN 0.292 nan 8.370 nan 0.000 0.293 191 G N -0.574 108.161 108.800 -0.108 0.000 3.342 191 G HA2 0.098 4.058 3.960 0.000 0.000 0.252 191 G HA3 0.098 4.058 3.960 0.000 0.000 0.252 191 G C 0.385 175.224 174.900 -0.102 0.000 1.011 191 G CA -0.143 44.893 45.100 -0.106 0.000 0.869 191 G HN -0.108 nan 8.290 nan 0.000 0.514 192 K N 0.807 121.144 120.400 -0.105 0.000 2.270 192 K HA 0.502 4.822 4.320 0.000 0.000 0.255 192 K C -1.319 175.246 176.600 -0.058 0.000 0.936 192 K CA -0.740 55.535 56.287 -0.020 0.000 0.809 192 K CB 1.852 34.361 32.500 0.015 0.000 1.131 192 K HN 0.126 nan 8.250 nan 0.000 0.427 193 Y N -0.085 120.217 120.300 0.003 0.000 2.374 193 Y HA 0.477 5.027 4.550 0.000 0.000 0.322 193 Y C 0.399 176.301 175.900 0.003 0.000 1.275 193 Y CA -0.685 57.417 58.100 0.003 0.000 1.307 193 Y CB 1.403 39.865 38.460 0.003 0.000 1.282 193 Y HN 0.194 nan 8.280 nan 0.000 0.509 194 V N 2.267 122.292 119.914 0.185 0.000 2.808 194 V HA 0.703 4.823 4.120 0.000 0.000 0.308 194 V C -1.699 174.449 176.094 0.090 0.000 1.099 194 V CA -0.673 61.688 62.300 0.102 0.000 0.920 194 V CB 1.915 33.773 31.823 0.059 0.000 1.014 194 V HN 0.525 nan 8.190 nan 0.000 0.425 195 V N 4.933 124.883 119.914 0.060 0.000 2.604 195 V HA 0.561 4.682 4.120 0.000 0.000 0.305 195 V C -0.920 175.190 176.094 0.027 0.000 1.043 195 V CA -0.489 61.835 62.300 0.040 0.000 0.888 195 V CB 2.007 33.845 31.823 0.024 0.000 0.995 195 V HN 0.947 nan 8.190 nan 0.000 0.429 196 D N 3.604 124.016 120.400 0.019 0.000 2.464 196 D HA 0.343 4.983 4.640 0.000 0.000 0.243 196 D C 0.917 177.220 176.300 0.004 0.000 1.104 196 D CA -0.333 53.675 54.000 0.012 0.000 0.883 196 D CB 1.243 42.048 40.800 0.008 0.000 1.050 196 D HN 0.430 nan 8.370 nan 0.000 0.524 197 L N 2.025 123.256 121.223 0.013 0.000 2.651 197 L HA -0.098 4.242 4.340 0.000 0.000 0.236 197 L C 1.161 178.032 176.870 0.001 0.000 1.173 197 L CA 0.657 55.506 54.840 0.016 0.000 0.843 197 L CB -0.053 42.036 42.059 0.050 0.000 0.964 197 L HN 0.321 nan 8.230 nan 0.000 0.454 198 D N -0.109 120.289 120.400 -0.004 0.000 2.347 198 D HA -0.066 4.575 4.640 0.000 0.000 0.215 198 D C 1.373 177.647 176.300 -0.042 0.000 0.976 198 D CA 0.577 54.569 54.000 -0.014 0.000 0.884 198 D CB 0.034 40.830 40.800 -0.007 0.000 0.915 198 D HN 0.430 nan 8.370 nan 0.000 0.526 199 N N 0.349 119.020 118.700 -0.049 0.000 2.336 199 N HA 0.075 4.815 4.740 0.000 0.000 0.189 199 N C 0.322 175.767 175.510 -0.108 0.000 1.113 199 N CA 0.144 53.154 53.050 -0.066 0.000 0.858 199 N CB 1.435 39.895 38.487 -0.045 0.000 0.970 199 N HN 0.244 nan 8.380 nan 0.000 0.471 200 I N 1.430 121.912 120.570 -0.146 0.000 2.359 200 I HA 0.155 4.325 4.170 0.000 0.000 0.284 200 I C 0.184 176.060 176.117 -0.402 0.000 1.018 200 I CA -0.585 60.552 61.300 -0.272 0.000 1.173 200 I CB 1.320 39.143 38.000 -0.296 0.000 1.326 200 I HN -0.228 nan 8.210 nan 0.000 0.462 201 K N 6.214 126.395 120.400 -0.365 0.000 2.144 201 K HA 0.503 4.823 4.320 0.000 0.000 0.270 201 K C -1.381 174.933 176.600 -0.477 0.000 1.005 201 K CA -0.273 55.828 56.287 -0.310 0.000 0.932 201 K CB 0.970 33.365 32.500 -0.175 0.000 1.021 201 K HN 0.302 nan 8.250 nan 0.000 0.462 202 F N 2.542 122.475 119.950 -0.029 0.000 2.427 202 F HA 0.265 4.792 4.527 0.000 0.000 0.348 202 F C 0.132 175.913 175.800 -0.031 0.000 1.125 202 F CA -0.766 57.220 58.000 -0.024 0.000 0.989 202 F CB 1.676 40.667 39.000 -0.014 0.000 1.165 202 F HN 0.357 nan 8.300 nan 0.000 0.442 203 E N 4.287 124.555 120.200 0.113 0.000 2.158 203 E HA 0.313 4.663 4.350 0.000 0.000 0.271 203 E C -0.930 175.711 176.600 0.068 0.000 0.911 203 E CA -0.695 55.733 56.400 0.046 0.000 0.767 203 E CB 1.997 31.677 29.700 -0.034 0.000 1.120 203 E HN 0.609 nan 8.360 nan 0.000 0.405 204 K N 1.889 122.320 120.400 0.051 0.000 2.397 204 K HA 0.586 4.906 4.320 0.000 0.000 0.253 204 K C -0.472 176.144 176.600 0.028 0.000 0.932 204 K CA -1.080 55.234 56.287 0.044 0.000 0.795 204 K CB 2.070 34.594 32.500 0.039 0.000 1.159 204 K HN -0.025 nan 8.250 nan 0.000 0.424 205 K N 1.916 122.334 120.400 0.030 0.000 2.601 205 K HA 0.342 4.663 4.320 0.000 0.000 0.249 205 K C -0.756 175.856 176.600 0.020 0.000 0.966 205 K CA -0.581 55.721 56.287 0.025 0.000 0.827 205 K CB 2.160 34.683 32.500 0.038 0.000 1.178 205 K HN 0.901 nan 8.250 nan 0.000 0.437 206 A N 1.396 124.221 122.820 0.009 0.000 2.507 206 A HA 0.570 4.890 4.320 0.000 0.000 0.235 206 A C 0.651 178.240 177.584 0.008 0.000 1.070 206 A CA 1.235 53.274 52.037 0.004 0.000 0.768 206 A CB -0.051 18.944 19.000 -0.008 0.000 1.011 206 A HN 0.900 nan 8.150 nan 0.000 0.502 207 G N 0.397 109.201 108.800 0.005 0.000 2.402 207 G HA2 0.463 4.423 3.960 0.000 0.000 0.666 207 G HA3 0.463 4.423 3.960 0.000 0.000 0.666 207 G C -0.501 174.401 174.900 0.004 0.000 1.402 207 G CA -0.056 45.048 45.100 0.007 0.000 0.920 207 G HN 1.482 nan 8.290 nan 0.000 0.651 208 E N -1.793 118.408 120.200 0.002 0.000 3.964 208 E HA -0.103 4.247 4.350 0.000 0.000 0.215 208 E C 0.846 177.442 176.600 -0.008 0.000 1.473 208 E CA 1.715 58.113 56.400 -0.002 0.000 2.344 208 E CB -1.280 28.418 29.700 -0.004 0.000 2.114 208 E HN 2.012 nan 8.360 nan 0.000 0.475 209 G N -1.388 107.398 108.800 -0.023 0.000 3.013 209 G HA2 0.497 4.457 3.960 0.000 0.000 0.278 209 G HA3 0.497 4.457 3.960 0.000 0.000 0.278 209 G C 0.728 175.567 174.900 -0.102 0.000 1.353 209 G CA -0.047 45.028 45.100 -0.041 0.000 1.043 209 G HN 0.260 nan 8.290 nan 0.000 0.523 210 V N 0.281 120.079 119.914 -0.193 0.000 2.809 210 V HA -0.059 4.062 4.120 0.000 0.000 0.256 210 V C 2.600 178.445 176.094 -0.415 0.000 1.080 210 V CA 1.484 63.606 62.300 -0.297 0.000 1.102 210 V CB -0.248 31.365 31.823 -0.349 0.000 0.705 210 V HN 0.606 nan 8.190 nan 0.000 0.475 211 E N 0.442 120.361 120.200 -0.469 0.000 2.160 211 E HA -0.216 4.134 4.350 0.000 0.000 0.195 211 E C 2.090 178.626 176.600 -0.107 0.000 0.991 211 E CA 0.998 57.243 56.400 -0.258 0.000 0.810 211 E CB -0.037 29.623 29.700 -0.066 0.000 0.742 211 E HN 0.607 nan 8.360 nan 0.000 0.466 212 E N 0.334 120.483 120.200 -0.085 0.000 2.482 212 E HA 0.025 4.375 4.350 0.000 0.000 0.196 212 E C 0.404 176.992 176.600 -0.020 0.000 1.047 212 E CA -0.014 56.364 56.400 -0.037 0.000 0.869 212 E CB 0.018 29.704 29.700 -0.023 0.000 0.836 212 E HN -0.025 nan 8.360 nan 0.000 0.520 213 S N 1.261 116.940 115.700 -0.035 0.000 2.563 213 S HA 0.113 4.583 4.470 0.000 0.000 0.269 213 S C 0.390 175.001 174.600 0.018 0.000 1.364 213 S CA 0.173 58.373 58.200 0.000 0.000 1.010 213 S CB 0.318 63.514 63.200 -0.006 0.000 0.877 213 S HN 0.343 nan 8.310 nan 0.000 0.549 214 E N -0.453 119.771 120.200 0.040 0.000 2.422 214 E HA 0.495 4.845 4.350 0.000 0.000 0.280 214 E C -1.880 174.746 176.600 0.043 0.000 1.091 214 E CA -0.968 55.456 56.400 0.040 0.000 0.849 214 E CB 0.585 30.310 29.700 0.041 0.000 1.353 214 E HN 0.325 nan 8.360 nan 0.000 0.449 215 L N 1.393 122.635 121.223 0.032 0.000 2.309 215 L HA 0.532 4.872 4.340 0.000 0.000 0.282 215 L C -1.348 175.538 176.870 0.026 0.000 1.036 215 L CA -0.594 54.256 54.840 0.017 0.000 0.806 215 L CB 1.751 43.813 42.059 0.006 0.000 1.220 215 L HN 0.511 nan 8.230 nan 0.000 0.429 216 V N 5.806 125.730 119.914 0.017 0.000 2.350 216 V HA 0.432 4.552 4.120 0.000 0.000 0.285 216 V C 0.319 176.416 176.094 0.005 0.000 1.014 216 V CA -0.657 61.665 62.300 0.036 0.000 0.831 216 V CB 1.156 33.019 31.823 0.068 0.000 1.000 216 V HN 0.633 nan 8.190 nan 0.000 0.433 217 R N 4.103 124.611 120.500 0.013 0.000 3.688 217 R HA 0.493 4.834 4.340 0.000 0.000 0.194 217 R C 0.786 177.086 176.300 0.001 0.000 1.677 217 R CA 0.375 56.477 56.100 0.004 0.000 1.351 217 R CB 0.019 30.329 30.300 0.016 0.000 1.338 217 R HN 0.969 nan 8.270 nan 0.000 0.731 218 G N -0.517 108.270 108.800 -0.020 0.000 2.512 218 G HA2 0.170 4.130 3.960 0.000 0.000 0.181 218 G HA3 0.170 4.130 3.960 0.000 0.000 0.181 218 G C -1.495 173.361 174.900 -0.073 0.000 1.173 218 G CA -0.624 44.453 45.100 -0.038 0.000 0.988 218 G HN 0.108 nan 8.290 nan 0.000 0.485 219 V N -0.391 119.464 119.914 -0.097 0.000 2.962 219 V HA 0.744 4.865 4.120 0.000 0.000 0.313 219 V C -0.537 175.443 176.094 -0.191 0.000 1.099 219 V CA -0.790 61.421 62.300 -0.150 0.000 0.971 219 V CB 1.914 33.619 31.823 -0.197 0.000 1.028 219 V HN 0.841 nan 8.190 nan 0.000 0.430 220 V N 4.306 124.072 119.914 -0.247 0.000 2.349 220 V HA 0.511 4.631 4.120 0.000 0.000 0.284 220 V C -0.639 175.286 176.094 -0.282 0.000 1.014 220 V CA -0.242 61.817 62.300 -0.403 0.000 0.826 220 V CB 1.229 32.744 31.823 -0.514 0.000 1.009 220 V HN 0.665 nan 8.190 nan 0.000 0.431 221 I N 3.353 123.785 120.570 -0.230 0.000 2.359 221 I HA 0.341 4.511 4.170 0.000 0.000 0.294 221 I C 0.364 176.424 176.117 -0.096 0.000 0.987 221 I CA -0.117 61.107 61.300 -0.126 0.000 1.225 221 I CB 1.549 39.517 38.000 -0.054 0.000 1.366 221 I HN 0.527 nan 8.210 nan 0.000 0.466 222 D N 6.688 127.048 120.400 -0.065 0.000 2.713 222 D HA 0.195 4.835 4.640 0.000 0.000 0.229 222 D C -0.332 175.967 176.300 -0.002 0.000 1.136 222 D CA 0.258 54.235 54.000 -0.038 0.000 1.010 222 D CB -0.002 40.779 40.800 -0.031 0.000 1.084 222 D HN 0.193 nan 8.370 nan 0.000 0.495 223 K N 0.862 121.272 120.400 0.017 0.000 2.318 223 K HA 0.491 4.811 4.320 0.000 0.000 0.265 223 K C -0.439 176.186 176.600 0.042 0.000 1.055 223 K CA -0.707 55.603 56.287 0.037 0.000 0.896 223 K CB 1.617 34.157 32.500 0.065 0.000 1.479 223 K HN 0.187 nan 8.250 nan 0.000 0.449 224 E N 0.138 120.360 120.200 0.037 0.000 2.378 224 E HA 0.359 4.709 4.350 0.000 0.000 0.265 224 E C -0.896 175.714 176.600 0.016 0.000 0.932 224 E CA -1.055 55.363 56.400 0.030 0.000 0.795 224 E CB 2.253 31.965 29.700 0.020 0.000 1.296 224 E HN 0.069 nan 8.360 nan 0.000 0.438 225 V N 2.383 122.302 119.914 0.008 0.000 2.439 225 V HA -0.067 4.053 4.120 0.000 0.000 0.271 225 V C 1.314 177.412 176.094 0.006 0.000 1.040 225 V CA 0.379 62.672 62.300 -0.011 0.000 1.002 225 V CB 1.048 32.867 31.823 -0.006 0.000 1.000 225 V HN 0.635 nan 8.190 nan 0.000 0.477 226 V N 4.764 124.683 119.914 0.009 0.000 2.453 226 V HA -0.186 3.935 4.120 0.000 0.000 0.252 226 V C 0.898 177.039 176.094 0.078 0.000 1.068 226 V CA 2.039 64.361 62.300 0.035 0.000 1.070 226 V CB -0.446 31.397 31.823 0.033 0.000 0.664 226 V HN 1.007 nan 8.190 nan 0.000 0.461 227 H N -1.339 117.717 119.070 -0.023 0.000 2.524 227 H HA 0.421 4.977 4.556 0.000 0.000 0.353 227 H C -1.825 173.491 175.328 -0.019 0.000 1.136 227 H CA -1.876 54.161 56.048 -0.018 0.000 1.193 227 H CB 2.187 31.936 29.762 -0.023 0.000 1.558 227 H HN -0.070 nan 8.280 nan 0.000 0.515 228 P HA -0.113 nan 4.420 nan 0.000 0.217 228 P C 1.070 178.324 177.300 -0.076 0.000 1.150 228 P CA 1.122 64.089 63.100 -0.221 0.000 0.832 228 P CB 0.253 31.780 31.700 -0.288 0.000 0.787 229 R N -1.127 119.395 120.500 0.036 0.000 2.313 229 R HA 0.151 4.492 4.340 0.000 0.000 0.199 229 R C 0.572 176.953 176.300 0.134 0.000 0.958 229 R CA 0.032 56.216 56.100 0.140 0.000 1.047 229 R CB -0.363 30.060 30.300 0.205 0.000 0.955 229 R HN 0.236 nan 8.270 nan 0.000 0.481 230 M N 1.101 120.786 119.600 0.143 0.000 2.247 230 M HA 0.267 4.747 4.480 0.000 0.000 0.326 230 M C -2.057 174.262 176.300 0.031 0.000 1.134 230 M CA -1.876 53.466 55.300 0.070 0.000 1.136 230 M CB 0.861 33.499 32.600 0.063 0.000 1.454 230 M HN -0.205 nan 8.290 nan 0.000 0.467 231 P HA 0.056 nan 4.420 nan 0.000 0.271 231 P C -0.317 176.985 177.300 0.003 0.000 1.216 231 P CA -0.051 63.053 63.100 0.007 0.000 0.771 231 P CB 0.523 32.224 31.700 0.002 0.000 0.864 232 K N 1.808 122.212 120.400 0.006 0.000 2.393 232 K HA 0.107 4.427 4.320 0.000 0.000 0.193 232 K C 0.618 177.226 176.600 0.014 0.000 1.026 232 K CA 0.443 56.736 56.287 0.010 0.000 1.064 232 K CB 0.444 32.950 32.500 0.010 0.000 0.833 232 K HN 0.422 nan 8.250 nan 0.000 0.521 233 R N 0.146 120.651 120.500 0.008 0.000 2.535 233 R HA 0.325 4.665 4.340 0.000 0.000 0.274 233 R C -1.842 174.460 176.300 0.004 0.000 1.090 233 R CA -0.301 55.805 56.100 0.009 0.000 0.930 233 R CB 1.630 31.932 30.300 0.003 0.000 1.223 233 R HN -0.227 nan 8.270 nan 0.000 0.441 234 V N 3.355 123.271 119.914 0.004 0.000 2.638 234 V HA 0.389 4.510 4.120 0.000 0.000 0.306 234 V C -0.658 175.432 176.094 -0.006 0.000 1.052 234 V CA -0.819 61.481 62.300 -0.001 0.000 0.885 234 V CB 2.028 33.847 31.823 -0.007 0.000 0.999 234 V HN 0.792 nan 8.190 nan 0.000 0.424 235 E N 3.278 123.479 120.200 0.002 0.000 2.204 235 E HA 0.463 4.814 4.350 0.000 0.000 0.276 235 E C -0.222 176.392 176.600 0.023 0.000 0.974 235 E CA -0.573 55.831 56.400 0.005 0.000 0.815 235 E CB 0.797 30.510 29.700 0.021 0.000 1.119 235 E HN 0.682 nan 8.360 nan 0.000 0.393 236 N N 0.731 119.448 118.700 0.028 0.000 2.714 236 N HA -0.218 4.523 4.740 0.000 0.000 0.253 236 N C -1.045 174.515 175.510 0.082 0.000 1.024 236 N CA 0.820 53.968 53.050 0.163 0.000 0.726 236 N CB -1.175 37.449 38.487 0.228 0.000 0.908 236 N HN 0.511 nan 8.380 nan 0.000 0.542 237 A N 0.716 123.484 122.820 -0.087 0.000 2.425 237 A HA 0.304 4.624 4.320 0.000 0.000 0.249 237 A C 0.627 178.213 177.584 0.004 0.000 1.084 237 A CA 0.028 52.039 52.037 -0.044 0.000 0.781 237 A CB 0.599 19.560 19.000 -0.065 0.000 1.019 237 A HN 0.257 nan 8.150 nan 0.000 0.490 238 K N 2.550 122.977 120.400 0.045 0.000 2.334 238 K HA 0.449 4.769 4.320 0.000 0.000 0.265 238 K C -1.158 175.469 176.600 0.046 0.000 1.039 238 K CA 0.133 56.462 56.287 0.069 0.000 0.920 238 K CB 1.149 33.684 32.500 0.058 0.000 1.160 238 K HN 0.617 nan 8.250 nan 0.000 0.451 239 I N 2.368 122.977 120.570 0.065 0.000 2.353 239 I HA 0.296 4.467 4.170 0.000 0.000 0.293 239 I C 0.100 176.269 176.117 0.086 0.000 0.992 239 I CA -0.645 60.713 61.300 0.096 0.000 1.268 239 I CB 1.586 39.675 38.000 0.149 0.000 1.387 239 I HN 0.550 nan 8.210 nan 0.000 0.478 240 A N 7.299 130.170 122.820 0.084 0.000 2.304 240 A HA 0.759 5.079 4.320 0.000 0.000 0.323 240 A C -0.972 176.680 177.584 0.114 0.000 1.195 240 A CA -0.457 51.614 52.037 0.058 0.000 0.826 240 A CB 0.871 19.872 19.000 0.001 0.000 1.184 240 A HN 0.513 nan 8.150 nan 0.000 0.496 241 L N 4.376 125.653 121.223 0.090 0.000 2.318 241 L HA 0.472 4.813 4.340 0.000 0.000 0.277 241 L C -0.642 176.267 176.870 0.065 0.000 1.008 241 L CA -0.237 54.664 54.840 0.102 0.000 0.846 241 L CB 0.946 43.043 42.059 0.063 0.000 1.220 241 L HN 0.503 nan 8.230 nan 0.000 0.423 242 I N 2.900 123.512 120.570 0.070 0.000 2.530 242 I HA 0.384 4.554 4.170 0.000 0.000 0.297 242 I C 0.666 176.813 176.117 0.050 0.000 1.011 242 I CA -0.473 60.856 61.300 0.048 0.000 1.107 242 I CB 1.835 39.858 38.000 0.038 0.000 1.285 242 I HN 0.545 nan 8.210 nan 0.000 0.436 243 N N 2.458 121.181 118.700 0.038 0.000 2.332 243 N HA -0.009 4.731 4.740 0.000 0.000 0.190 243 N C 0.373 175.901 175.510 0.031 0.000 1.117 243 N CA -0.200 52.870 53.050 0.034 0.000 0.883 243 N CB 0.175 38.678 38.487 0.026 0.000 1.089 243 N HN 0.671 nan 8.380 nan 0.000 0.480 244 E N 0.999 121.217 120.200 0.030 0.000 2.373 244 E HA 0.352 4.702 4.350 0.000 0.000 0.267 244 E C -0.505 176.112 176.600 0.029 0.000 1.032 244 E CA -0.658 55.759 56.400 0.028 0.000 0.889 244 E CB 0.742 30.459 29.700 0.029 0.000 0.984 244 E HN 0.323 nan 8.360 nan 0.000 0.425 245 A N 4.151 126.987 122.820 0.026 0.000 2.425 245 A HA 0.217 4.538 4.320 0.000 0.000 0.249 245 A C -0.398 177.202 177.584 0.027 0.000 1.084 245 A CA -0.442 51.610 52.037 0.026 0.000 0.781 245 A CB 0.252 19.266 19.000 0.023 0.000 1.019 245 A HN 0.572 nan 8.150 nan 0.000 0.490 246 L N 3.174 124.413 121.223 0.027 0.000 2.422 246 L HA 0.313 4.653 4.340 0.000 0.000 0.256 246 L C 0.398 177.287 176.870 0.032 0.000 1.202 246 L CA 0.855 55.714 54.840 0.031 0.000 1.119 246 L CB -0.965 41.112 42.059 0.029 0.000 1.383 246 L HN 0.833 nan 8.230 nan 0.000 0.411 247 E N -0.144 120.076 120.200 0.032 0.000 2.446 247 E HA 0.491 4.841 4.350 0.000 0.000 0.269 247 E C -1.097 175.524 176.600 0.034 0.000 0.977 247 E CA -1.214 55.204 56.400 0.030 0.000 0.854 247 E CB 1.734 31.449 29.700 0.024 0.000 1.545 247 E HN -0.139 nan 8.360 nan 0.000 0.448 248 V N 2.195 122.129 119.914 0.033 0.000 2.439 248 V HA 0.066 4.186 4.120 0.000 0.000 0.271 248 V C 0.099 176.212 176.094 0.032 0.000 1.040 248 V CA 0.118 62.440 62.300 0.037 0.000 1.002 248 V CB -0.022 31.825 31.823 0.040 0.000 1.000 248 V HN 0.445 nan 8.190 nan 0.000 0.477 249 K N 4.809 125.228 120.400 0.032 0.000 2.319 249 K HA 0.384 4.704 4.320 0.000 0.000 0.265 249 K C -0.287 176.329 176.600 0.027 0.000 1.000 249 K CA -0.183 56.120 56.287 0.027 0.000 0.943 249 K CB 0.726 33.242 32.500 0.025 0.000 0.950 249 K HN 0.572 nan 8.250 nan 0.000 0.485 250 K N 0.787 121.200 120.400 0.022 0.000 2.385 250 K HA 0.213 4.533 4.320 0.000 0.000 0.248 250 K C -0.489 176.121 176.600 0.017 0.000 0.955 250 K CA -0.822 55.477 56.287 0.020 0.000 0.816 250 K CB 1.939 34.448 32.500 0.015 0.000 1.250 250 K HN 0.674 nan 8.250 nan 0.000 0.434 251 T N -1.412 113.152 114.554 0.016 0.000 2.860 251 T HA 0.056 4.406 4.350 0.000 0.000 0.299 251 T C 1.076 175.782 174.700 0.010 0.000 1.045 251 T CA -0.354 61.754 62.100 0.014 0.000 1.071 251 T CB 1.123 70.000 68.868 0.014 0.000 0.985 251 T HN 0.622 nan 8.240 nan 0.000 0.537 252 E N 0.957 121.162 120.200 0.009 0.000 2.106 252 E HA 0.019 4.369 4.350 0.000 0.000 0.192 252 E C 0.638 177.242 176.600 0.006 0.000 0.984 252 E CA 0.815 57.219 56.400 0.008 0.000 0.806 252 E CB -0.405 29.300 29.700 0.007 0.000 0.750 252 E HN 0.803 nan 8.360 nan 0.000 0.458 253 T N 2.165 116.722 114.554 0.006 0.000 2.901 253 T HA 0.060 4.411 4.350 0.000 0.000 0.301 253 T C -0.505 174.197 174.700 0.003 0.000 1.012 253 T CA -0.436 61.667 62.100 0.005 0.000 1.135 253 T CB 0.540 69.411 68.868 0.006 0.000 0.936 253 T HN 0.017 nan 8.240 nan 0.000 0.539 254 D N 2.011 122.411 120.400 0.001 0.000 2.488 254 D HA 0.431 5.071 4.640 0.000 0.000 0.238 254 D C 0.036 176.334 176.300 -0.003 0.000 1.138 254 D CA 0.349 54.348 54.000 -0.002 0.000 0.873 254 D CB 0.460 41.258 40.800 -0.004 0.000 1.183 254 D HN 0.700 nan 8.370 nan 0.000 0.458 255 A N 1.873 124.689 122.820 -0.007 0.000 2.594 255 A HA 0.750 5.070 4.320 0.000 0.000 0.291 255 A C -0.846 176.723 177.584 -0.025 0.000 1.105 255 A CA -0.770 51.260 52.037 -0.011 0.000 0.694 255 A CB 2.019 21.017 19.000 -0.002 0.000 1.291 255 A HN 0.420 nan 8.150 nan 0.000 0.410 256 K N 0.945 121.322 120.400 -0.039 0.000 2.557 256 K HA 0.521 4.841 4.320 0.000 0.000 0.261 256 K C -1.858 174.679 176.600 -0.105 0.000 0.932 256 K CA -0.563 55.684 56.287 -0.066 0.000 0.829 256 K CB 1.459 33.927 32.500 -0.054 0.000 1.358 256 K HN 0.665 nan 8.250 nan 0.000 0.430 257 I N 3.231 123.692 120.570 -0.182 0.000 2.371 257 I HA 0.137 4.307 4.170 0.000 0.000 0.290 257 I C -0.046 175.931 176.117 -0.233 0.000 1.028 257 I CA -0.524 60.588 61.300 -0.314 0.000 1.345 257 I CB 0.872 38.484 38.000 -0.647 0.000 1.407 257 I HN 0.352 nan 8.210 nan 0.000 0.501 258 N N 8.174 126.773 118.700 -0.170 0.000 2.589 258 N HA 0.381 5.121 4.740 0.000 0.000 0.232 258 N C -0.455 175.008 175.510 -0.078 0.000 1.015 258 N CA -0.276 52.716 53.050 -0.096 0.000 0.931 258 N CB 1.248 39.708 38.487 -0.045 0.000 1.150 258 N HN 0.455 nan 8.380 nan 0.000 0.512 259 I N 1.406 121.922 120.570 -0.089 0.000 2.496 259 I HA 0.036 4.207 4.170 0.000 0.000 0.285 259 I C 1.422 177.540 176.117 0.001 0.000 1.080 259 I CA 0.270 61.549 61.300 -0.035 0.000 1.404 259 I CB 0.857 38.828 38.000 -0.048 0.000 1.403 259 I HN 0.447 nan 8.210 nan 0.000 0.539 260 T N -0.395 114.178 114.554 0.031 0.000 3.087 260 T HA 0.219 4.569 4.350 0.000 0.000 0.283 260 T C 0.124 174.843 174.700 0.032 0.000 0.956 260 T CA -0.278 61.838 62.100 0.026 0.000 0.894 260 T CB 0.086 68.970 68.868 0.026 0.000 1.160 260 T HN 0.571 nan 8.240 nan 0.000 0.532 261 S N 0.360 116.087 115.700 0.045 0.000 2.533 261 S HA 0.571 5.041 4.470 0.000 0.000 0.271 261 S C -2.868 171.760 174.600 0.047 0.000 1.143 261 S CA -1.174 57.050 58.200 0.040 0.000 0.891 261 S CB 1.993 65.218 63.200 0.041 0.000 1.105 261 S HN -0.181 nan 8.310 nan 0.000 0.468 262 P HA -0.128 nan 4.420 nan 0.000 0.219 262 P C 0.874 178.200 177.300 0.044 0.000 1.146 262 P CA 1.665 64.787 63.100 0.035 0.000 0.808 262 P CB -0.220 31.494 31.700 0.024 0.000 0.779 263 D N -0.786 119.638 120.400 0.041 0.000 2.263 263 D HA -0.212 4.428 4.640 0.000 0.000 0.208 263 D C 1.673 178.007 176.300 0.057 0.000 0.971 263 D CA 1.009 55.031 54.000 0.037 0.000 0.867 263 D CB -0.802 40.011 40.800 0.023 0.000 0.929 263 D HN 0.247 nan 8.370 nan 0.000 0.492 264 Q N 0.017 119.877 119.800 0.100 0.000 2.187 264 Q HA 0.062 4.403 4.340 0.000 0.000 0.199 264 Q C 2.344 178.486 176.000 0.238 0.000 0.957 264 Q CA 0.447 56.370 55.803 0.200 0.000 0.857 264 Q CB -0.063 28.861 28.738 0.310 0.000 0.929 264 Q HN 0.396 nan 8.270 nan 0.000 0.453 265 L N -0.013 121.293 121.223 0.139 0.000 2.129 265 L HA -0.226 4.114 4.340 0.000 0.000 0.212 265 L C 2.361 179.298 176.870 0.111 0.000 1.087 265 L CA 0.909 55.814 54.840 0.109 0.000 0.757 265 L CB -0.389 41.706 42.059 0.059 0.000 0.896 265 L HN 0.374 nan 8.230 nan 0.000 0.434 266 M N -1.591 118.061 119.600 0.087 0.000 2.325 266 M HA -0.073 4.408 4.480 0.000 0.000 0.265 266 M C 2.562 178.893 176.300 0.051 0.000 1.094 266 M CA 1.061 56.397 55.300 0.059 0.000 1.161 266 M CB -0.796 31.824 32.600 0.033 0.000 1.358 266 M HN 0.143 nan 8.290 nan 0.000 0.446 267 S N 0.554 116.273 115.700 0.033 0.000 2.368 267 S HA -0.187 4.284 4.470 0.000 0.000 0.226 267 S C 1.804 176.326 174.600 -0.130 0.000 1.044 267 S CA 1.740 59.896 58.200 -0.072 0.000 1.062 267 S CB -0.257 62.868 63.200 -0.124 0.000 0.931 267 S HN 0.347 nan 8.310 nan 0.000 0.440 268 F N 0.417 120.370 119.950 0.006 0.000 2.234 268 F HA 0.117 4.644 4.527 0.000 0.000 0.296 268 F C 2.032 177.838 175.800 0.009 0.000 1.089 268 F CA 0.360 58.364 58.000 0.007 0.000 1.343 268 F CB -0.454 38.550 39.000 0.006 0.000 1.040 268 F HN 0.208 nan 8.300 nan 0.000 0.498 269 L N 0.626 121.961 121.223 0.187 0.000 1.989 269 L HA -0.234 4.106 4.340 0.000 0.000 0.211 269 L C 2.201 179.115 176.870 0.072 0.000 1.071 269 L CA 1.908 56.813 54.840 0.109 0.000 0.749 269 L CB -0.924 41.182 42.059 0.078 0.000 0.890 269 L HN 0.171 nan 8.230 nan 0.000 0.431 270 E N -1.548 118.680 120.200 0.047 0.000 2.265 270 E HA -0.282 4.068 4.350 0.000 0.000 0.196 270 E C 2.018 178.631 176.600 0.021 0.000 0.996 270 E CA 0.818 57.234 56.400 0.028 0.000 0.832 270 E CB -0.115 29.590 29.700 0.008 0.000 0.756 270 E HN 0.430 nan 8.360 nan 0.000 0.491 271 Q N 1.657 121.462 119.800 0.009 0.000 2.079 271 Q HA -0.172 4.169 4.340 0.000 0.000 0.200 271 Q C 1.552 177.575 176.000 0.038 0.000 0.974 271 Q CA 1.627 57.428 55.803 -0.004 0.000 0.840 271 Q CB 0.060 28.767 28.738 -0.051 0.000 0.898 271 Q HN 0.334 nan 8.270 nan 0.000 0.430 272 E N -0.049 120.191 120.200 0.068 0.000 2.208 272 E HA -0.153 4.197 4.350 0.000 0.000 0.193 272 E C 1.886 178.527 176.600 0.068 0.000 0.988 272 E CA 0.990 57.432 56.400 0.070 0.000 0.828 272 E CB -0.008 29.738 29.700 0.076 0.000 0.763 272 E HN 0.548 nan 8.360 nan 0.000 0.478 273 E N 1.311 121.553 120.200 0.070 0.000 2.072 273 E HA -0.178 4.172 4.350 0.000 0.000 0.191 273 E C 2.076 178.744 176.600 0.113 0.000 0.985 273 E CA 0.800 57.258 56.400 0.097 0.000 0.801 273 E CB -0.039 29.716 29.700 0.092 0.000 0.750 273 E HN 0.084 nan 8.360 nan 0.000 0.452 274 K N 1.017 121.458 120.400 0.068 0.000 2.032 274 K HA -0.177 4.143 4.320 0.000 0.000 0.209 274 K C 2.202 178.829 176.600 0.046 0.000 1.048 274 K CA 1.424 57.737 56.287 0.044 0.000 0.927 274 K CB -0.052 32.457 32.500 0.014 0.000 0.712 274 K HN 0.045 nan 8.250 nan 0.000 0.441 275 M N 0.392 120.019 119.600 0.046 0.000 2.082 275 M HA -0.222 4.259 4.480 0.000 0.000 0.258 275 M C 2.235 178.572 176.300 0.061 0.000 1.069 275 M CA 1.334 56.659 55.300 0.042 0.000 1.102 275 M CB -0.351 32.274 32.600 0.043 0.000 1.336 275 M HN 0.192 nan 8.290 nan 0.000 0.404 276 L N 0.538 121.814 121.223 0.089 0.000 1.994 276 L HA -0.201 4.139 4.340 0.000 0.000 0.208 276 L C 2.431 179.402 176.870 0.168 0.000 1.071 276 L CA 1.966 56.878 54.840 0.120 0.000 0.745 276 L CB -0.771 41.366 42.059 0.130 0.000 0.892 276 L HN 0.221 nan 8.230 nan 0.000 0.431 277 K N -0.758 119.767 120.400 0.207 0.000 2.074 277 K HA -0.227 4.093 4.320 0.000 0.000 0.209 277 K C 1.724 178.336 176.600 0.019 0.000 1.048 277 K CA 1.925 58.280 56.287 0.113 0.000 0.926 277 K CB -0.180 32.276 32.500 -0.072 0.000 0.713 277 K HN 0.339 nan 8.250 nan 0.000 0.444 278 D N 0.559 120.973 120.400 0.022 0.000 2.123 278 D HA -0.195 4.446 4.640 0.000 0.000 0.196 278 D C 1.967 178.285 176.300 0.031 0.000 0.992 278 D CA 1.518 55.523 54.000 0.009 0.000 0.833 278 D CB -0.169 40.631 40.800 0.001 0.000 0.954 278 D HN 0.350 nan 8.370 nan 0.000 0.455 279 M N 0.219 119.848 119.600 0.048 0.000 2.115 279 M HA -0.182 4.298 4.480 0.000 0.000 0.258 279 M C 2.457 178.779 176.300 0.036 0.000 1.071 279 M CA 1.220 56.556 55.300 0.061 0.000 1.100 279 M CB -0.583 32.052 32.600 0.059 0.000 1.292 279 M HN -0.108 nan 8.290 nan 0.000 0.415 280 V N 0.789 120.717 119.914 0.024 0.000 2.282 280 V HA -0.322 3.798 4.120 0.000 0.000 0.249 280 V C 1.816 177.774 176.094 -0.227 0.000 1.057 280 V CA 2.253 64.519 62.300 -0.057 0.000 1.032 280 V CB -0.888 30.975 31.823 0.067 0.000 0.645 280 V HN 0.427 nan 8.190 nan 0.000 0.447 281 D N -1.098 119.194 120.400 -0.180 0.000 2.116 281 D HA -0.219 4.421 4.640 0.000 0.000 0.193 281 D C 2.107 178.331 176.300 -0.127 0.000 0.998 281 D CA 1.851 55.722 54.000 -0.215 0.000 0.836 281 D CB -0.409 40.358 40.800 -0.055 0.000 0.951 281 D HN 0.625 nan 8.370 nan 0.000 0.449 282 H N 0.233 119.227 119.070 -0.128 0.000 2.352 282 H HA -0.024 4.533 4.556 0.000 0.000 0.299 282 H C 2.073 177.340 175.328 -0.103 0.000 1.097 282 H CA 1.235 57.229 56.048 -0.090 0.000 1.311 282 H CB -0.450 29.279 29.762 -0.055 0.000 1.377 282 H HN 0.145 nan 8.280 nan 0.000 0.504 283 I N -0.027 120.404 120.570 -0.231 0.000 2.142 283 I HA -0.295 3.875 4.170 0.000 0.000 0.240 283 I C 2.759 178.716 176.117 -0.266 0.000 1.078 283 I CA 1.139 62.277 61.300 -0.270 0.000 1.343 283 I CB -0.648 37.249 38.000 -0.172 0.000 1.046 283 I HN 0.397 nan 8.210 nan 0.000 0.405 284 A N 0.105 122.731 122.820 -0.323 0.000 1.892 284 A HA -0.330 3.990 4.320 0.000 0.000 0.218 284 A C 2.192 179.671 177.584 -0.175 0.000 1.188 284 A CA 2.011 53.854 52.037 -0.323 0.000 0.631 284 A CB -0.773 17.788 19.000 -0.731 0.000 0.822 284 A HN 0.406 nan 8.150 nan 0.000 0.447 285 Q N -0.519 119.185 119.800 -0.161 0.000 2.308 285 Q HA -0.130 4.210 4.340 0.000 0.000 0.209 285 Q C 2.114 178.059 176.000 -0.092 0.000 0.985 285 Q CA 2.019 57.776 55.803 -0.077 0.000 0.881 285 Q CB -0.631 28.104 28.738 -0.006 0.000 0.917 285 Q HN 0.903 nan 8.270 nan 0.000 0.443 286 T N -5.273 109.184 114.554 -0.161 0.000 3.088 286 T HA 0.202 4.553 4.350 0.000 0.000 0.259 286 T C 1.434 176.095 174.700 -0.065 0.000 1.122 286 T CA 0.631 62.656 62.100 -0.126 0.000 1.095 286 T CB 0.224 68.988 68.868 -0.174 0.000 0.930 286 T HN 0.376 nan 8.240 nan 0.000 0.508 287 G N 1.085 109.852 108.800 -0.056 0.000 2.176 287 G HA2 -0.010 3.950 3.960 0.000 0.000 0.232 287 G HA3 -0.010 3.950 3.960 0.000 0.000 0.232 287 G C 0.285 175.174 174.900 -0.017 0.000 0.986 287 G CA -0.128 44.960 45.100 -0.021 0.000 0.643 287 G HN 1.166 nan 8.290 nan 0.000 0.522 288 A N 0.325 123.120 122.820 -0.041 0.000 2.477 288 A HA 0.575 4.895 4.320 0.000 0.000 0.246 288 A C 0.999 178.566 177.584 -0.029 0.000 1.078 288 A CA 1.030 53.048 52.037 -0.032 0.000 0.770 288 A CB 0.145 19.114 19.000 -0.053 0.000 1.011 288 A HN 1.185 nan 8.150 nan 0.000 0.494 289 N N 0.149 118.839 118.700 -0.016 0.000 2.159 289 N HA 0.273 5.014 4.740 0.000 0.000 0.217 289 N C -0.760 174.725 175.510 -0.042 0.000 1.223 289 N CA 0.014 53.054 53.050 -0.016 0.000 0.896 289 N CB 0.726 39.214 38.487 0.003 0.000 1.064 289 N HN 0.259 nan 8.380 nan 0.000 0.518 290 V N 0.532 120.412 119.914 -0.056 0.000 2.808 290 V HA 0.583 4.703 4.120 0.000 0.000 0.308 290 V C -1.211 174.799 176.094 -0.141 0.000 1.099 290 V CA -0.845 61.381 62.300 -0.123 0.000 0.920 290 V CB 2.481 34.260 31.823 -0.074 0.000 1.014 290 V HN -0.087 nan 8.190 nan 0.000 0.425 291 V N 4.704 124.452 119.914 -0.275 0.000 2.612 291 V HA 0.515 4.635 4.120 0.000 0.000 0.301 291 V C -1.193 174.704 176.094 -0.328 0.000 1.059 291 V CA -0.505 61.681 62.300 -0.189 0.000 0.886 291 V CB 1.776 33.532 31.823 -0.112 0.000 1.007 291 V HN 0.683 nan 8.190 nan 0.000 0.426 292 F N 3.648 123.591 119.950 -0.012 0.000 2.385 292 F HA 0.621 5.149 4.527 0.000 0.000 0.360 292 F C 0.201 175.997 175.800 -0.006 0.000 1.122 292 F CA -0.690 57.304 58.000 -0.009 0.000 1.090 292 F CB 1.792 40.783 39.000 -0.014 0.000 1.150 292 F HN 0.190 nan 8.300 nan 0.000 0.472 293 V N 4.369 124.357 119.914 0.124 0.000 2.435 293 V HA 0.164 4.285 4.120 0.000 0.000 0.290 293 V C 0.759 176.903 176.094 0.083 0.000 1.030 293 V CA -0.437 61.911 62.300 0.080 0.000 0.881 293 V CB 1.634 33.480 31.823 0.038 0.000 0.983 293 V HN 0.886 nan 8.190 nan 0.000 0.445 294 Q N 3.982 123.821 119.800 0.065 0.000 2.016 294 Q HA -0.073 4.268 4.340 0.000 0.000 0.200 294 Q C 1.244 177.267 176.000 0.040 0.000 0.978 294 Q CA 1.251 57.084 55.803 0.050 0.000 0.833 294 Q CB 0.212 28.971 28.738 0.036 0.000 0.895 294 Q HN 0.619 nan 8.270 nan 0.000 0.427 295 K N -0.036 120.384 120.400 0.034 0.000 2.976 295 K HA 0.269 4.589 4.320 0.000 0.000 0.335 295 K C 0.522 177.139 176.600 0.028 0.000 0.990 295 K CA 0.383 56.686 56.287 0.028 0.000 1.231 295 K CB -0.867 31.647 32.500 0.024 0.000 1.331 295 K HN 0.270 nan 8.250 nan 0.000 0.556 296 G N -0.046 108.768 108.800 0.024 0.000 2.522 296 G HA2 0.592 4.552 3.960 0.000 0.000 0.304 296 G HA3 0.592 4.552 3.960 0.000 0.000 0.304 296 G C -0.612 174.301 174.900 0.022 0.000 1.210 296 G CA -0.608 44.505 45.100 0.023 0.000 0.960 296 G HN 0.298 nan 8.290 nan 0.000 0.497 297 I N 0.694 121.276 120.570 0.021 0.000 2.497 297 I HA 0.151 4.321 4.170 0.000 0.000 0.284 297 I C -0.712 175.417 176.117 0.019 0.000 1.060 297 I CA -0.716 60.596 61.300 0.019 0.000 1.071 297 I CB 1.930 39.940 38.000 0.015 0.000 1.216 297 I HN 0.397 nan 8.210 nan 0.000 0.442 298 D N 4.556 124.967 120.400 0.018 0.000 2.449 298 D HA -0.063 4.578 4.640 0.000 0.000 0.236 298 D C 0.685 176.988 176.300 0.005 0.000 1.149 298 D CA 0.423 54.431 54.000 0.012 0.000 0.878 298 D CB 1.357 42.164 40.800 0.013 0.000 1.198 298 D HN 0.479 nan 8.370 nan 0.000 0.446 299 D N 2.101 122.503 120.400 0.003 0.000 2.106 299 D HA -0.197 4.444 4.640 0.000 0.000 0.191 299 D C 1.813 178.092 176.300 -0.036 0.000 0.997 299 D CA 0.775 54.780 54.000 0.007 0.000 0.834 299 D CB -0.191 40.614 40.800 0.008 0.000 0.956 299 D HN 0.333 nan 8.370 nan 0.000 0.448 300 L N 0.788 121.958 121.223 -0.087 0.000 2.013 300 L HA -0.200 4.140 4.340 0.000 0.000 0.212 300 L C 2.116 178.839 176.870 -0.245 0.000 1.073 300 L CA 2.203 56.912 54.840 -0.218 0.000 0.753 300 L CB -0.931 41.013 42.059 -0.192 0.000 0.890 300 L HN 0.028 nan 8.230 nan 0.000 0.432 301 A N -1.256 121.520 122.820 -0.073 0.000 1.883 301 A HA -0.301 4.019 4.320 0.000 0.000 0.217 301 A C 2.179 179.761 177.584 -0.003 0.000 1.186 301 A CA 1.992 54.043 52.037 0.024 0.000 0.624 301 A CB -0.686 18.341 19.000 0.045 0.000 0.822 301 A HN 0.678 nan 8.150 nan 0.000 0.444 302 Q N -1.488 118.290 119.800 -0.037 0.000 2.077 302 Q HA -0.255 4.086 4.340 0.000 0.000 0.206 302 Q C 2.204 178.058 176.000 -0.243 0.000 0.989 302 Q CA 1.671 57.426 55.803 -0.080 0.000 0.853 302 Q CB -0.427 28.309 28.738 -0.003 0.000 0.907 302 Q HN 0.887 nan 8.270 nan 0.000 0.418 303 H N -0.282 118.579 119.070 -0.348 0.000 2.319 303 H HA -0.182 4.374 4.556 0.000 0.000 0.299 303 H C 1.679 176.879 175.328 -0.213 0.000 1.092 303 H CA 1.777 57.574 56.048 -0.419 0.000 1.302 303 H CB 0.020 29.549 29.762 -0.388 0.000 1.373 303 H HN 0.282 nan 8.280 nan 0.000 0.497 304 Y N 0.168 120.528 120.300 0.099 0.000 2.163 304 Y HA -0.159 4.392 4.550 0.000 0.000 0.288 304 Y C 2.791 178.802 175.900 0.184 0.000 1.136 304 Y CA 0.419 58.619 58.100 0.167 0.000 1.147 304 Y CB -0.915 37.693 38.460 0.247 0.000 0.987 304 Y HN 0.134 nan 8.280 nan 0.000 0.509 305 L N 0.061 121.414 121.223 0.217 0.000 1.997 305 L HA -0.297 4.043 4.340 0.000 0.000 0.216 305 L C 2.548 179.457 176.870 0.066 0.000 1.074 305 L CA 2.099 57.003 54.840 0.108 0.000 0.763 305 L CB -1.623 40.437 42.059 0.001 0.000 0.890 305 L HN 0.233 nan 8.230 nan 0.000 0.434 306 A N -0.973 121.786 122.820 -0.101 0.000 1.865 306 A HA -0.267 4.053 4.320 0.000 0.000 0.217 306 A C 2.277 179.811 177.584 -0.083 0.000 1.191 306 A CA 2.028 53.977 52.037 -0.146 0.000 0.623 306 A CB -0.521 18.226 19.000 -0.422 0.000 0.826 306 A HN 0.457 nan 8.150 nan 0.000 0.444 307 K N -1.649 118.679 120.400 -0.120 0.000 2.211 307 K HA -0.170 4.150 4.320 0.000 0.000 0.204 307 K C 1.342 177.866 176.600 -0.127 0.000 1.047 307 K CA 1.621 57.828 56.287 -0.135 0.000 0.935 307 K CB -0.316 32.094 32.500 -0.151 0.000 0.728 307 K HN 0.689 nan 8.250 nan 0.000 0.452 308 Y N 0.048 120.330 120.300 -0.031 0.000 2.490 308 Y HA 0.067 4.618 4.550 0.000 0.000 0.281 308 Y C 1.490 177.374 175.900 -0.027 0.000 1.174 308 Y CA 0.508 58.595 58.100 -0.022 0.000 1.295 308 Y CB 0.408 38.859 38.460 -0.016 0.000 1.062 308 Y HN 0.260 nan 8.280 nan 0.000 0.522 309 G N 0.881 109.730 108.800 0.083 0.000 2.155 309 G HA2 -0.315 3.645 3.960 0.000 0.000 0.257 309 G HA3 -0.315 3.645 3.960 0.000 0.000 0.257 309 G C 0.108 175.032 174.900 0.039 0.000 0.983 309 G CA 0.140 45.266 45.100 0.043 0.000 0.676 309 G HN 0.340 nan 8.290 nan 0.000 0.528 310 I N 0.971 121.570 120.570 0.049 0.000 2.371 310 I HA 0.336 4.506 4.170 0.000 0.000 0.290 310 I C 0.995 177.095 176.117 -0.028 0.000 1.028 310 I CA -0.471 60.831 61.300 0.004 0.000 1.345 310 I CB 1.404 39.399 38.000 -0.009 0.000 1.407 310 I HN 0.232 nan 8.210 nan 0.000 0.501 311 M N 6.451 126.017 119.600 -0.058 0.000 2.185 311 M HA 0.563 5.043 4.480 0.000 0.000 0.357 311 M C -0.624 175.580 176.300 -0.161 0.000 1.260 311 M CA -0.044 55.204 55.300 -0.088 0.000 1.124 311 M CB 0.825 33.368 32.600 -0.095 0.000 1.600 311 M HN 0.752 nan 8.290 nan 0.000 0.467 312 A N 4.727 127.458 122.820 -0.148 0.000 2.435 312 A HA 0.820 5.140 4.320 0.000 0.000 0.304 312 A C -1.586 175.887 177.584 -0.185 0.000 1.064 312 A CA -0.647 51.275 52.037 -0.191 0.000 0.727 312 A CB 1.883 20.821 19.000 -0.103 0.000 1.284 312 A HN 0.640 nan 8.150 nan 0.000 0.415 313 V N 2.132 121.909 119.914 -0.228 0.000 2.686 313 V HA 0.633 4.753 4.120 0.000 0.000 0.306 313 V C -0.005 176.077 176.094 -0.019 0.000 1.065 313 V CA -0.705 61.528 62.300 -0.111 0.000 0.894 313 V CB 1.756 33.513 31.823 -0.111 0.000 1.004 313 V HN 1.171 nan 8.190 nan 0.000 0.424 314 R N 2.600 123.110 120.500 0.017 0.000 2.875 314 R HA 0.827 5.167 4.340 0.000 0.000 0.251 314 R C -0.271 176.058 176.300 0.048 0.000 1.123 314 R CA -0.998 55.122 56.100 0.033 0.000 1.064 314 R CB 0.627 30.941 30.300 0.023 0.000 1.205 314 R HN 0.331 nan 8.270 nan 0.000 0.503 315 R N -0.538 119.987 120.500 0.042 0.000 3.225 315 R HA -0.116 4.224 4.340 0.000 0.000 0.245 315 R C -0.927 175.400 176.300 0.046 0.000 0.928 315 R CA 0.642 56.764 56.100 0.038 0.000 0.632 315 R CB -2.112 28.205 30.300 0.029 0.000 1.038 315 R HN 0.425 nan 8.270 nan 0.000 0.461 316 V N 1.075 121.027 119.914 0.063 0.000 2.546 316 V HA 0.116 4.237 4.120 0.000 0.000 0.284 316 V C 1.182 177.295 176.094 0.031 0.000 1.050 316 V CA -0.520 61.819 62.300 0.066 0.000 0.981 316 V CB 1.466 33.358 31.823 0.116 0.000 0.990 316 V HN 0.258 nan 8.190 nan 0.000 0.474 317 K N 3.223 123.630 120.400 0.012 0.000 2.485 317 K HA -0.000 4.320 4.320 0.000 0.000 0.277 317 K C 1.216 177.811 176.600 -0.008 0.000 0.990 317 K CA 0.024 56.310 56.287 -0.000 0.000 0.994 317 K CB 0.623 33.116 32.500 -0.011 0.000 0.906 317 K HN 0.560 nan 8.250 nan 0.000 0.488 318 K N 1.608 122.006 120.400 -0.004 0.000 2.063 318 K HA -0.196 4.124 4.320 0.000 0.000 0.208 318 K C 2.022 178.610 176.600 -0.020 0.000 1.048 318 K CA 2.092 58.375 56.287 -0.007 0.000 0.928 318 K CB -0.052 32.447 32.500 -0.002 0.000 0.713 318 K HN 0.697 nan 8.250 nan 0.000 0.442 319 S N 0.479 116.166 115.700 -0.022 0.000 2.399 319 S HA -0.151 4.319 4.470 0.000 0.000 0.231 319 S C 1.455 176.024 174.600 -0.052 0.000 1.022 319 S CA 1.467 59.648 58.200 -0.031 0.000 0.983 319 S CB -0.231 62.955 63.200 -0.024 0.000 0.803 319 S HN 0.273 nan 8.310 nan 0.000 0.480 320 D N 1.242 121.606 120.400 -0.060 0.000 2.149 320 D HA 0.051 4.692 4.640 0.000 0.000 0.201 320 D C 2.008 178.229 176.300 -0.130 0.000 0.972 320 D CA 0.928 54.869 54.000 -0.099 0.000 0.835 320 D CB -0.246 40.499 40.800 -0.092 0.000 0.966 320 D HN 0.306 nan 8.370 nan 0.000 0.476 321 M N 0.541 120.087 119.600 -0.089 0.000 2.149 321 M HA -0.110 4.370 4.480 0.000 0.000 0.261 321 M C 1.904 178.153 176.300 -0.085 0.000 1.064 321 M CA 1.262 56.511 55.300 -0.085 0.000 1.102 321 M CB -0.836 31.747 32.600 -0.029 0.000 1.369 321 M HN 0.116 nan 8.290 nan 0.000 0.408 322 E N -0.051 120.109 120.200 -0.066 0.000 2.107 322 E HA -0.146 4.204 4.350 0.000 0.000 0.191 322 E C 2.069 178.626 176.600 -0.072 0.000 0.982 322 E CA 0.868 57.235 56.400 -0.055 0.000 0.809 322 E CB 0.003 29.679 29.700 -0.039 0.000 0.756 322 E HN 0.500 nan 8.360 nan 0.000 0.459 323 K N 0.529 120.874 120.400 -0.092 0.000 2.097 323 K HA -0.094 4.226 4.320 0.000 0.000 0.205 323 K C 2.156 178.680 176.600 -0.127 0.000 1.050 323 K CA 0.764 56.989 56.287 -0.104 0.000 0.938 323 K CB -0.040 32.389 32.500 -0.118 0.000 0.718 323 K HN 0.103 nan 8.250 nan 0.000 0.442 324 L N 0.377 121.496 121.223 -0.174 0.000 2.093 324 L HA -0.159 4.181 4.340 0.000 0.000 0.208 324 L C 2.527 179.322 176.870 -0.126 0.000 1.085 324 L CA 0.946 55.656 54.840 -0.217 0.000 0.755 324 L CB -0.463 41.365 42.059 -0.383 0.000 0.904 324 L HN 0.188 nan 8.230 nan 0.000 0.435 325 A N -0.168 122.599 122.820 -0.089 0.000 1.858 325 A HA -0.179 4.141 4.320 0.000 0.000 0.216 325 A C 2.328 179.891 177.584 -0.034 0.000 1.190 325 A CA 1.358 53.368 52.037 -0.045 0.000 0.617 325 A CB -0.321 18.660 19.000 -0.031 0.000 0.827 325 A HN 0.155 nan 8.150 nan 0.000 0.443 326 K N -0.030 120.345 120.400 -0.041 0.000 2.001 326 K HA -0.183 4.137 4.320 0.000 0.000 0.214 326 K C 2.321 178.905 176.600 -0.026 0.000 1.050 326 K CA 1.650 57.919 56.287 -0.031 0.000 0.934 326 K CB -0.965 31.512 32.500 -0.039 0.000 0.718 326 K HN 0.466 nan 8.250 nan 0.000 0.443 327 A N 1.052 123.845 122.820 -0.044 0.000 1.841 327 A HA -0.155 4.166 4.320 0.000 0.000 0.214 327 A C 2.381 179.959 177.584 -0.010 0.000 1.195 327 A CA 2.836 54.853 52.037 -0.034 0.000 0.611 327 A CB -1.153 17.810 19.000 -0.061 0.000 0.835 327 A HN 0.547 nan 8.150 nan 0.000 0.443 328 T N -3.888 110.653 114.554 -0.021 0.000 3.023 328 T HA 0.335 4.685 4.350 0.000 0.000 0.266 328 T C 1.405 176.133 174.700 0.048 0.000 1.093 328 T CA 1.265 63.372 62.100 0.012 0.000 1.129 328 T CB -0.360 68.502 68.868 -0.011 0.000 0.899 328 T HN 1.896 nan 8.240 nan 0.000 0.491 329 G N 1.166 109.981 108.800 0.025 0.000 2.182 329 G HA2 0.073 4.033 3.960 0.000 0.000 0.248 329 G HA3 0.073 4.033 3.960 0.000 0.000 0.248 329 G C 0.107 175.027 174.900 0.033 0.000 1.042 329 G CA -0.065 45.053 45.100 0.032 0.000 0.775 329 G HN 1.172 nan 8.290 nan 0.000 0.501 330 A N -0.484 122.350 122.820 0.024 0.000 2.295 330 A HA 0.819 5.139 4.320 0.000 0.000 0.318 330 A C 0.337 177.930 177.584 0.016 0.000 1.134 330 A CA -0.439 51.614 52.037 0.028 0.000 0.827 330 A CB 0.881 19.902 19.000 0.035 0.000 1.136 330 A HN 0.365 nan 8.150 nan 0.000 0.493 331 K N 1.470 121.881 120.400 0.019 0.000 2.213 331 K HA 0.450 4.770 4.320 0.000 0.000 0.270 331 K C -0.972 175.637 176.600 0.017 0.000 1.002 331 K CA -0.104 56.192 56.287 0.014 0.000 0.868 331 K CB 1.537 34.046 32.500 0.015 0.000 1.093 331 K HN 0.613 nan 8.250 nan 0.000 0.454 332 I N 3.444 124.021 120.570 0.012 0.000 2.517 332 I HA 0.004 4.175 4.170 0.000 0.000 0.285 332 I C -0.055 176.074 176.117 0.019 0.000 1.106 332 I CA -0.271 61.039 61.300 0.017 0.000 1.402 332 I CB 0.496 38.502 38.000 0.010 0.000 1.399 332 I HN 0.195 nan 8.210 nan 0.000 0.535 333 V N 6.237 126.166 119.914 0.025 0.000 2.547 333 V HA 0.202 4.322 4.120 0.000 0.000 0.299 333 V C 0.784 176.895 176.094 0.028 0.000 1.040 333 V CA -0.273 62.043 62.300 0.027 0.000 0.913 333 V CB 1.761 33.602 31.823 0.031 0.000 0.992 333 V HN 0.837 nan 8.190 nan 0.000 0.449 334 T N 2.349 116.919 114.554 0.027 0.000 2.781 334 T HA 0.048 4.398 4.350 0.000 0.000 0.252 334 T C 0.737 175.455 174.700 0.030 0.000 1.039 334 T CA 0.877 62.992 62.100 0.026 0.000 1.147 334 T CB -0.078 68.802 68.868 0.021 0.000 0.865 334 T HN 0.627 nan 8.240 nan 0.000 0.423 335 N N 1.118 119.838 118.700 0.033 0.000 2.438 335 N HA 0.264 5.004 4.740 0.000 0.000 0.282 335 N C 0.901 176.446 175.510 0.059 0.000 1.037 335 N CA -0.466 52.608 53.050 0.038 0.000 0.942 335 N CB 2.151 40.656 38.487 0.030 0.000 1.136 335 N HN -0.111 nan 8.380 nan 0.000 0.481 336 V N 4.008 123.963 119.914 0.067 0.000 2.317 336 V HA -0.357 3.763 4.120 0.000 0.000 0.251 336 V C 2.408 178.630 176.094 0.215 0.000 1.065 336 V CA 1.870 64.234 62.300 0.107 0.000 1.049 336 V CB -0.635 31.245 31.823 0.095 0.000 0.651 336 V HN 0.805 nan 8.190 nan 0.000 0.450 337 K N 0.196 120.672 120.400 0.127 0.000 2.173 337 K HA -0.267 4.053 4.320 0.000 0.000 0.207 337 K C 1.434 178.083 176.600 0.082 0.000 1.046 337 K CA 2.295 58.596 56.287 0.022 0.000 0.929 337 K CB -0.476 31.996 32.500 -0.046 0.000 0.720 337 K HN 0.461 nan 8.250 nan 0.000 0.453 338 D N 0.773 121.239 120.400 0.109 0.000 2.333 338 D HA -0.004 4.637 4.640 0.000 0.000 0.208 338 D C 0.556 176.936 176.300 0.133 0.000 0.984 338 D CA 0.032 54.093 54.000 0.101 0.000 0.873 338 D CB -0.030 40.803 40.800 0.054 0.000 0.935 338 D HN 0.144 nan 8.370 nan 0.000 0.521 339 L N 1.941 123.250 121.223 0.145 0.000 2.525 339 L HA 0.083 4.423 4.340 0.000 0.000 0.278 339 L C 0.391 177.273 176.870 0.019 0.000 1.218 339 L CA 0.772 55.638 54.840 0.043 0.000 0.878 339 L CB 0.537 42.569 42.059 -0.044 0.000 1.127 339 L HN -0.007 nan 8.230 nan 0.000 0.492 340 T N 1.095 115.644 114.554 -0.007 0.000 2.841 340 T HA 0.530 4.881 4.350 0.000 0.000 0.296 340 T C -2.263 172.423 174.700 -0.023 0.000 1.166 340 T CA -1.358 60.736 62.100 -0.009 0.000 1.007 340 T CB 1.474 70.360 68.868 0.030 0.000 1.253 340 T HN 0.321 nan 8.240 nan 0.000 0.511 341 P HA -0.039 nan 4.420 nan 0.000 0.218 341 P C 0.958 178.260 177.300 0.004 0.000 1.148 341 P CA 1.046 64.140 63.100 -0.010 0.000 0.822 341 P CB 0.003 31.700 31.700 -0.004 0.000 0.784 342 E N -0.851 119.354 120.200 0.008 0.000 2.409 342 E HA -0.119 4.231 4.350 0.000 0.000 0.198 342 E C 0.997 177.606 176.600 0.015 0.000 1.024 342 E CA 0.862 57.269 56.400 0.012 0.000 0.861 342 E CB -0.719 28.989 29.700 0.012 0.000 0.788 342 E HN 0.361 nan 8.360 nan 0.000 0.521 343 D N -0.509 119.899 120.400 0.013 0.000 2.349 343 D HA 0.058 4.698 4.640 0.000 0.000 0.214 343 D C 0.221 176.534 176.300 0.022 0.000 1.063 343 D CA 0.026 54.036 54.000 0.016 0.000 0.847 343 D CB 0.417 41.225 40.800 0.014 0.000 0.933 343 D HN 0.186 nan 8.370 nan 0.000 0.513 344 L N 0.881 122.118 121.223 0.024 0.000 2.397 344 L HA 0.402 4.742 4.340 0.000 0.000 0.271 344 L C 1.218 178.123 176.870 0.059 0.000 1.148 344 L CA -0.386 54.476 54.840 0.037 0.000 0.825 344 L CB 1.115 43.194 42.059 0.034 0.000 1.117 344 L HN -0.108 nan 8.230 nan 0.000 0.456 345 G N 0.811 109.654 108.800 0.072 0.000 2.552 345 G HA2 0.440 4.400 3.960 0.000 0.000 0.324 345 G HA3 0.440 4.400 3.960 0.000 0.000 0.324 345 G C -2.025 172.958 174.900 0.138 0.000 1.217 345 G CA -0.267 44.886 45.100 0.089 0.000 0.989 345 G HN 0.475 nan 8.290 nan 0.000 0.490 346 Y N -0.195 120.119 120.300 0.023 0.000 2.425 346 Y HA 0.657 5.207 4.550 0.000 0.000 0.344 346 Y C -0.362 175.557 175.900 0.030 0.000 0.969 346 Y CA -0.964 57.152 58.100 0.027 0.000 1.052 346 Y CB 2.027 40.498 38.460 0.018 0.000 1.215 346 Y HN 0.788 nan 8.280 nan 0.000 0.451 347 A N 5.089 127.329 122.820 -0.966 0.000 2.427 347 A HA 0.342 4.662 4.320 0.000 0.000 0.298 347 A C 0.279 177.289 177.584 -0.957 0.000 1.036 347 A CA -0.503 51.126 52.037 -0.680 0.000 0.701 347 A CB 1.411 20.258 19.000 -0.256 0.000 1.250 347 A HN 0.970 nan 8.150 nan 0.000 0.412 348 E N 1.016 120.876 120.200 -0.567 0.000 2.153 348 E HA 0.037 4.387 4.350 0.000 0.000 0.194 348 E C -0.247 176.276 176.600 -0.128 0.000 0.988 348 E CA 1.384 57.649 56.400 -0.225 0.000 0.811 348 E CB 0.154 29.872 29.700 0.030 0.000 0.746 348 E HN 0.486 nan 8.360 nan 0.000 0.466 349 V N 0.479 120.328 119.914 -0.110 0.000 2.891 349 V HA 0.266 4.386 4.120 0.000 0.000 0.304 349 V C -1.116 174.973 176.094 -0.008 0.000 1.171 349 V CA -0.865 61.410 62.300 -0.042 0.000 0.943 349 V CB 2.268 34.084 31.823 -0.012 0.000 1.037 349 V HN -0.159 nan 8.190 nan 0.000 0.427 350 V N 3.968 123.893 119.914 0.018 0.000 2.482 350 V HA 0.653 4.774 4.120 0.000 0.000 0.295 350 V C -0.501 175.640 176.094 0.079 0.000 1.026 350 V CA -0.315 62.032 62.300 0.077 0.000 0.856 350 V CB 1.694 33.565 31.823 0.081 0.000 1.001 350 V HN 0.981 nan 8.190 nan 0.000 0.424 351 E N 3.259 123.536 120.200 0.129 0.000 2.343 351 E HA 0.417 4.767 4.350 0.000 0.000 0.278 351 E C -1.152 175.552 176.600 0.174 0.000 0.910 351 E CA -0.686 55.777 56.400 0.105 0.000 0.757 351 E CB 2.296 32.023 29.700 0.045 0.000 1.218 351 E HN 0.730 nan 8.360 nan 0.000 0.435 352 E N 3.891 124.162 120.200 0.119 0.000 2.194 352 E HA 0.271 4.622 4.350 0.000 0.000 0.284 352 E C -0.898 175.778 176.600 0.127 0.000 1.035 352 E CA -0.243 56.239 56.400 0.137 0.000 0.836 352 E CB 0.751 30.497 29.700 0.076 0.000 1.070 352 E HN 0.352 nan 8.360 nan 0.000 0.401 353 R N 3.398 124.021 120.500 0.206 0.000 2.807 353 R HA 0.387 4.727 4.340 0.000 0.000 0.276 353 R C -0.716 175.674 176.300 0.151 0.000 0.979 353 R CA -0.924 55.255 56.100 0.132 0.000 0.928 353 R CB 1.917 32.234 30.300 0.030 0.000 1.191 353 R HN 0.347 nan 8.270 nan 0.000 0.471 354 K N 2.243 122.691 120.400 0.081 0.000 2.211 354 K HA 0.374 4.695 4.320 0.000 0.000 0.275 354 K C -0.775 175.871 176.600 0.076 0.000 1.024 354 K CA -0.295 56.035 56.287 0.071 0.000 0.887 354 K CB 1.030 33.553 32.500 0.038 0.000 1.084 354 K HN 0.296 nan 8.250 nan 0.000 0.463 355 L N 2.286 123.564 121.223 0.091 0.000 2.343 355 L HA 0.320 4.660 4.340 0.000 0.000 0.278 355 L C 0.031 176.933 176.870 0.052 0.000 0.996 355 L CA -0.459 54.431 54.840 0.085 0.000 0.831 355 L CB 1.696 43.833 42.059 0.130 0.000 1.232 355 L HN 0.939 nan 8.230 nan 0.000 0.413 356 A N 3.174 126.015 122.820 0.035 0.000 2.610 356 A HA -0.076 4.244 4.320 0.000 0.000 0.299 356 A C 1.434 179.030 177.584 0.021 0.000 1.487 356 A CA 1.141 53.191 52.037 0.022 0.000 0.743 356 A CB -1.822 17.190 19.000 0.020 0.000 1.070 356 A HN 1.616 nan 8.150 nan 0.000 0.439 357 G N -1.236 107.577 108.800 0.021 0.000 3.078 357 G HA2 -0.346 3.615 3.960 0.000 0.000 0.227 357 G HA3 -0.346 3.615 3.960 0.000 0.000 0.227 357 G C 0.170 175.085 174.900 0.024 0.000 1.306 357 G CA 0.753 45.864 45.100 0.018 0.000 0.841 357 G HN 1.349 nan 8.290 nan 0.000 0.530 358 E N 2.150 122.366 120.200 0.027 0.000 2.452 358 E HA 0.107 4.458 4.350 0.000 0.000 0.261 358 E C 0.259 176.886 176.600 0.046 0.000 0.987 358 E CA -0.083 56.335 56.400 0.030 0.000 0.926 358 E CB 0.222 29.937 29.700 0.025 0.000 0.934 358 E HN 0.427 nan 8.360 nan 0.000 0.452 359 N N 2.883 121.607 118.700 0.041 0.000 2.488 359 N HA 0.222 4.962 4.740 0.000 0.000 0.274 359 N C -0.112 175.434 175.510 0.059 0.000 1.111 359 N CA 0.291 53.375 53.050 0.056 0.000 0.974 359 N CB 0.740 39.252 38.487 0.042 0.000 1.089 359 N HN 0.310 nan 8.380 nan 0.000 0.465 360 M N 1.826 121.484 119.600 0.097 0.000 2.575 360 M HA 0.502 4.982 4.480 0.000 0.000 0.284 360 M C -0.679 175.678 176.300 0.096 0.000 1.253 360 M CA -0.686 54.642 55.300 0.047 0.000 0.861 360 M CB 2.406 34.994 32.600 -0.019 0.000 1.733 360 M HN 0.154 nan 8.290 nan 0.000 0.462 361 I N 1.418 121.986 120.570 -0.003 0.000 2.404 361 I HA 0.430 4.601 4.170 0.000 0.000 0.293 361 I C -1.409 174.676 176.117 -0.054 0.000 0.992 361 I CA -0.446 60.909 61.300 0.092 0.000 1.149 361 I CB 1.277 39.370 38.000 0.156 0.000 1.315 361 I HN 0.447 nan 8.210 nan 0.000 0.446 362 F N 5.459 125.439 119.950 0.051 0.000 2.444 362 F HA 0.422 4.949 4.527 0.000 0.000 0.342 362 F C 0.008 175.826 175.800 0.029 0.000 1.121 362 F CA -0.767 57.248 58.000 0.025 0.000 0.997 362 F CB 1.702 40.707 39.000 0.009 0.000 1.130 362 F HN -0.014 nan 8.300 nan 0.000 0.454 363 V N 4.265 124.250 119.914 0.118 0.000 2.293 363 V HA 0.354 4.474 4.120 0.000 0.000 0.275 363 V C -0.428 175.692 176.094 0.044 0.000 1.021 363 V CA -0.585 61.752 62.300 0.061 0.000 0.815 363 V CB 0.642 32.446 31.823 -0.031 0.000 1.025 363 V HN 0.798 nan 8.190 nan 0.000 0.448 364 E N 2.823 123.054 120.200 0.053 0.000 2.369 364 E HA 0.730 5.080 4.350 0.000 0.000 0.270 364 E C 0.421 177.022 176.600 0.000 0.000 0.909 364 E CA -0.633 55.792 56.400 0.042 0.000 0.775 364 E CB 2.290 32.045 29.700 0.091 0.000 1.270 364 E HN 0.714 nan 8.360 nan 0.000 0.445 365 G N 0.676 109.486 108.800 0.017 0.000 2.142 365 G HA2 -0.253 3.707 3.960 0.000 0.000 0.225 365 G HA3 -0.253 3.707 3.960 0.000 0.000 0.225 365 G C 0.104 175.039 174.900 0.059 0.000 1.015 365 G CA -0.143 44.978 45.100 0.035 0.000 0.716 365 G HN 0.625 nan 8.290 nan 0.000 0.508 366 C N 0.618 119.943 119.300 0.041 0.000 2.676 366 C HA 0.400 4.860 4.460 0.000 0.000 0.416 366 C C 2.147 177.224 174.990 0.146 0.000 1.299 366 C CA -0.042 59.026 59.018 0.085 0.000 2.048 366 C CB 1.460 29.222 27.740 0.037 0.000 2.713 366 C HN 0.549 nan 8.230 nan 0.000 0.624 367 K N 1.866 122.397 120.400 0.220 0.000 1.971 367 K HA -0.119 4.201 4.320 0.000 0.000 0.221 367 K C 0.782 177.426 176.600 0.073 0.000 1.050 367 K CA 1.782 58.150 56.287 0.136 0.000 0.967 367 K CB -0.189 32.367 32.500 0.093 0.000 0.733 367 K HN 0.785 nan 8.250 nan 0.000 0.445 368 N N 0.756 119.491 118.700 0.058 0.000 2.752 368 N HA 0.187 4.927 4.740 0.000 0.000 0.260 368 N C -2.754 172.774 175.510 0.029 0.000 1.562 368 N CA -1.337 51.735 53.050 0.037 0.000 0.788 368 N CB 1.087 39.591 38.487 0.028 0.000 1.192 368 N HN 0.021 nan 8.380 nan 0.000 0.503 369 P HA 0.026 nan 4.420 nan 0.000 0.262 369 P C 0.114 177.413 177.300 -0.001 0.000 1.182 369 P CA -0.048 63.057 63.100 0.007 0.000 0.761 369 P CB 1.038 32.737 31.700 -0.002 0.000 0.795 370 K N 0.955 121.351 120.400 -0.007 0.000 2.358 370 K HA 0.393 4.714 4.320 0.000 0.000 0.197 370 K C 0.479 177.064 176.600 -0.025 0.000 1.025 370 K CA -0.169 56.113 56.287 -0.009 0.000 1.104 370 K CB 0.446 32.944 32.500 -0.004 0.000 0.855 370 K HN 0.583 nan 8.250 nan 0.000 0.531 371 A N 0.303 123.100 122.820 -0.039 0.000 2.437 371 A HA 0.618 4.938 4.320 0.000 0.000 0.293 371 A C -1.242 176.299 177.584 -0.072 0.000 1.038 371 A CA -0.604 51.396 52.037 -0.061 0.000 0.708 371 A CB 1.652 20.610 19.000 -0.069 0.000 1.251 371 A HN -0.073 nan 8.150 nan 0.000 0.409 372 V N 1.311 121.170 119.914 -0.093 0.000 3.074 372 V HA 0.889 5.009 4.120 0.000 0.000 0.314 372 V C -0.489 175.518 176.094 -0.145 0.000 1.117 372 V CA -0.224 62.018 62.300 -0.097 0.000 1.014 372 V CB 2.653 34.429 31.823 -0.079 0.000 1.057 372 V HN 0.995 nan 8.190 nan 0.000 0.438 373 T N 4.935 119.412 114.554 -0.129 0.000 2.848 373 T HA 0.569 4.920 4.350 0.000 0.000 0.285 373 T C -0.596 174.029 174.700 -0.125 0.000 0.995 373 T CA -0.071 61.933 62.100 -0.160 0.000 0.970 373 T CB 1.113 69.902 68.868 -0.132 0.000 0.976 373 T HN 0.473 nan 8.240 nan 0.000 0.441 374 I N 3.696 124.163 120.570 -0.172 0.000 2.307 374 I HA 0.310 4.481 4.170 0.000 0.000 0.287 374 I C -0.132 176.010 176.117 0.043 0.000 1.054 374 I CA -0.547 60.725 61.300 -0.047 0.000 1.218 374 I CB 0.824 38.819 38.000 -0.010 0.000 1.398 374 I HN 0.348 nan 8.210 nan 0.000 0.475 375 L N 7.923 129.176 121.223 0.050 0.000 2.315 375 L HA 0.434 4.774 4.340 0.000 0.000 0.283 375 L C -0.323 176.596 176.870 0.083 0.000 1.089 375 L CA -0.250 54.632 54.840 0.069 0.000 0.833 375 L CB 0.467 42.585 42.059 0.097 0.000 1.170 375 L HN 0.507 nan 8.230 nan 0.000 0.442 376 I N 5.597 126.221 120.570 0.089 0.000 2.353 376 I HA 0.411 4.581 4.170 0.000 0.000 0.293 376 I C 0.009 176.151 176.117 0.041 0.000 0.992 376 I CA -0.691 60.649 61.300 0.067 0.000 1.268 376 I CB 1.147 39.192 38.000 0.076 0.000 1.387 376 I HN 0.524 nan 8.210 nan 0.000 0.478 377 R N 3.798 124.308 120.500 0.017 0.000 2.832 377 R HA 0.876 5.216 4.340 0.000 0.000 0.271 377 R C -0.352 175.939 176.300 -0.015 0.000 0.996 377 R CA -0.982 55.122 56.100 0.006 0.000 0.977 377 R CB 2.175 32.478 30.300 0.004 0.000 1.168 377 R HN 0.894 nan 8.270 nan 0.000 0.482 378 G N -1.337 107.458 108.800 -0.009 0.000 2.519 378 G HA2 0.321 4.281 3.960 0.000 0.000 0.292 378 G HA3 0.321 4.281 3.960 0.000 0.000 0.292 378 G C 0.159 175.059 174.900 0.000 0.000 1.507 378 G CA -0.276 44.818 45.100 -0.011 0.000 0.806 378 G HN 0.514 nan 8.290 nan 0.000 0.523 379 G N -0.923 107.881 108.800 0.006 0.000 2.708 379 G HA2 0.382 4.342 3.960 0.000 0.000 0.210 379 G HA3 0.382 4.342 3.960 0.000 0.000 0.210 379 G C 0.516 175.421 174.900 0.008 0.000 1.141 379 G CA 1.529 46.635 45.100 0.010 0.000 0.788 379 G HN 0.865 nan 8.290 nan 0.000 0.531 380 T N -1.544 113.016 114.554 0.009 0.000 2.885 380 T HA 0.290 4.640 4.350 0.000 0.000 0.322 380 T C 0.295 174.992 174.700 -0.006 0.000 1.387 380 T CA -0.598 61.501 62.100 -0.001 0.000 1.041 380 T CB 2.051 70.932 68.868 0.021 0.000 1.287 380 T HN -0.015 nan 8.240 nan 0.000 0.491 381 E N 0.354 120.521 120.200 -0.055 0.000 2.038 381 E HA -0.105 4.245 4.350 0.000 0.000 0.195 381 E C 1.606 178.213 176.600 0.012 0.000 1.000 381 E CA 1.756 58.119 56.400 -0.063 0.000 0.803 381 E CB -0.123 29.484 29.700 -0.154 0.000 0.750 381 E HN 0.661 nan 8.360 nan 0.000 0.448 382 H N -1.022 118.046 119.070 -0.002 0.000 2.456 382 H HA -0.074 4.482 4.556 0.000 0.000 0.296 382 H C 1.856 177.180 175.328 -0.005 0.000 1.079 382 H CA 0.806 56.852 56.048 -0.005 0.000 1.322 382 H CB 0.282 30.043 29.762 -0.002 0.000 1.388 382 H HN 0.000 nan 8.280 nan 0.000 0.538 383 V N 1.444 121.430 119.914 0.121 0.000 2.346 383 V HA -0.211 3.909 4.120 0.000 0.000 0.244 383 V C 2.427 178.545 176.094 0.040 0.000 1.037 383 V CA 1.739 64.079 62.300 0.067 0.000 1.029 383 V CB -0.362 31.492 31.823 0.051 0.000 0.663 383 V HN 0.508 nan 8.190 nan 0.000 0.454 384 I N -1.489 119.099 120.570 0.031 0.000 2.614 384 I HA -0.144 4.026 4.170 0.000 0.000 0.258 384 I C 1.930 178.050 176.117 0.005 0.000 1.189 384 I CA 1.671 62.979 61.300 0.014 0.000 1.462 384 I CB -0.641 37.367 38.000 0.014 0.000 1.092 384 I HN 0.190 nan 8.210 nan 0.000 0.442 385 D N 1.551 121.966 120.400 0.025 0.000 2.097 385 D HA -0.193 4.447 4.640 0.000 0.000 0.197 385 D C 2.108 178.396 176.300 -0.020 0.000 0.984 385 D CA 1.579 55.586 54.000 0.011 0.000 0.826 385 D CB -0.085 40.750 40.800 0.058 0.000 0.973 385 D HN 0.451 nan 8.370 nan 0.000 0.460 386 E N 0.552 120.749 120.200 -0.005 0.000 2.208 386 E HA -0.071 4.280 4.350 0.000 0.000 0.193 386 E C 1.934 178.513 176.600 -0.036 0.000 0.988 386 E CA 0.351 56.737 56.400 -0.023 0.000 0.828 386 E CB -0.068 29.626 29.700 -0.010 0.000 0.763 386 E HN 0.001 nan 8.360 nan 0.000 0.478 387 V N 0.829 120.727 119.914 -0.026 0.000 2.427 387 V HA -0.197 3.924 4.120 0.000 0.000 0.248 387 V C 2.387 178.427 176.094 -0.091 0.000 1.051 387 V CA 2.049 64.330 62.300 -0.030 0.000 1.048 387 V CB -0.493 31.325 31.823 -0.009 0.000 0.666 387 V HN 0.390 nan 8.190 nan 0.000 0.456 388 E N 0.342 120.464 120.200 -0.129 0.000 2.038 388 E HA -0.260 4.090 4.350 0.000 0.000 0.195 388 E C 2.482 178.871 176.600 -0.351 0.000 1.000 388 E CA 1.482 57.708 56.400 -0.290 0.000 0.803 388 E CB -0.080 29.480 29.700 -0.233 0.000 0.750 388 E HN 0.490 nan 8.360 nan 0.000 0.448 389 R N -0.015 120.362 120.500 -0.205 0.000 2.083 389 R HA -0.171 4.169 4.340 0.000 0.000 0.237 389 R C 2.471 178.684 176.300 -0.146 0.000 1.137 389 R CA 1.290 57.290 56.100 -0.166 0.000 0.951 389 R CB -0.432 29.810 30.300 -0.096 0.000 0.851 389 R HN 0.221 nan 8.270 nan 0.000 0.434 390 A N 1.064 123.821 122.820 -0.105 0.000 1.908 390 A HA -0.172 4.148 4.320 0.000 0.000 0.218 390 A C 2.171 179.712 177.584 -0.071 0.000 1.181 390 A CA 1.313 53.312 52.037 -0.063 0.000 0.627 390 A CB -0.567 18.415 19.000 -0.029 0.000 0.818 390 A HN 0.230 nan 8.150 nan 0.000 0.445 391 L N -0.787 120.360 121.223 -0.127 0.000 2.141 391 L HA -0.174 4.167 4.340 0.000 0.000 0.209 391 L C 2.599 179.406 176.870 -0.104 0.000 1.094 391 L CA 1.310 56.099 54.840 -0.086 0.000 0.763 391 L CB -0.481 41.532 42.059 -0.076 0.000 0.908 391 L HN 0.507 nan 8.230 nan 0.000 0.437 392 E N -0.025 119.995 120.200 -0.301 0.000 2.085 392 E HA -0.237 4.114 4.350 0.000 0.000 0.194 392 E C 1.605 178.193 176.600 -0.020 0.000 0.994 392 E CA 1.413 57.710 56.400 -0.172 0.000 0.801 392 E CB -0.075 29.497 29.700 -0.213 0.000 0.743 392 E HN 0.515 nan 8.360 nan 0.000 0.453 393 D N 0.575 120.953 120.400 -0.037 0.000 2.091 393 D HA -0.092 4.548 4.640 0.000 0.000 0.199 393 D C 2.006 178.317 176.300 0.019 0.000 0.980 393 D CA 1.244 55.240 54.000 -0.006 0.000 0.831 393 D CB -0.392 40.399 40.800 -0.015 0.000 0.987 393 D HN 0.127 nan 8.370 nan 0.000 0.460 394 A N 1.015 123.849 122.820 0.023 0.000 1.903 394 A HA -0.205 4.116 4.320 0.000 0.000 0.219 394 A C 2.581 180.197 177.584 0.053 0.000 1.191 394 A CA 1.718 53.777 52.037 0.038 0.000 0.638 394 A CB -0.987 18.041 19.000 0.047 0.000 0.823 394 A HN 0.157 nan 8.150 nan 0.000 0.451 395 V N -0.016 119.953 119.914 0.092 0.000 2.332 395 V HA -0.267 3.853 4.120 0.000 0.000 0.248 395 V C 2.597 178.731 176.094 0.065 0.000 1.055 395 V CA 2.586 64.948 62.300 0.103 0.000 1.038 395 V CB -0.596 31.351 31.823 0.206 0.000 0.651 395 V HN 0.711 nan 8.190 nan 0.000 0.450 396 K N 0.619 121.055 120.400 0.059 0.000 2.062 396 K HA -0.121 4.199 4.320 0.000 0.000 0.205 396 K C 1.913 178.528 176.600 0.025 0.000 1.051 396 K CA 1.836 58.147 56.287 0.040 0.000 0.941 396 K CB -0.359 32.161 32.500 0.034 0.000 0.719 396 K HN 0.447 nan 8.250 nan 0.000 0.440 397 V N -2.079 117.848 119.914 0.021 0.000 2.548 397 V HA -0.079 4.041 4.120 0.000 0.000 0.249 397 V C 1.972 178.071 176.094 0.008 0.000 1.055 397 V CA 1.423 63.731 62.300 0.014 0.000 1.065 397 V CB -0.524 31.306 31.823 0.013 0.000 0.681 397 V HN 0.054 nan 8.190 nan 0.000 0.462 398 V N 0.851 120.770 119.914 0.009 0.000 2.515 398 V HA -0.225 3.895 4.120 0.000 0.000 0.250 398 V C 2.685 178.767 176.094 -0.018 0.000 1.058 398 V CA 2.551 64.848 62.300 -0.006 0.000 1.064 398 V CB -0.757 31.063 31.823 -0.004 0.000 0.675 398 V HN 0.717 nan 8.190 nan 0.000 0.461 399 K N 0.089 120.486 120.400 -0.005 0.000 2.057 399 K HA -0.206 4.114 4.320 0.000 0.000 0.206 399 K C 1.793 178.393 176.600 -0.001 0.000 1.050 399 K CA 1.829 58.112 56.287 -0.006 0.000 0.935 399 K CB -0.246 32.261 32.500 0.011 0.000 0.715 399 K HN 0.384 nan 8.250 nan 0.000 0.439 400 D N 0.641 121.045 120.400 0.006 0.000 2.116 400 D HA -0.171 4.469 4.640 0.000 0.000 0.193 400 D C 1.906 178.210 176.300 0.007 0.000 0.998 400 D CA 1.400 55.406 54.000 0.010 0.000 0.836 400 D CB -0.264 40.542 40.800 0.010 0.000 0.951 400 D HN 0.080 nan 8.370 nan 0.000 0.449 401 V N 0.544 120.456 119.914 -0.003 0.000 2.667 401 V HA -0.138 3.982 4.120 0.000 0.000 0.252 401 V C 2.298 178.383 176.094 -0.016 0.000 1.065 401 V CA 1.009 63.305 62.300 -0.006 0.000 1.083 401 V CB -0.322 31.494 31.823 -0.012 0.000 0.692 401 V HN 0.239 nan 8.190 nan 0.000 0.468 402 M N -0.879 118.698 119.600 -0.038 0.000 2.419 402 M HA -0.053 4.427 4.480 0.000 0.000 0.264 402 M C 1.966 178.285 176.300 0.033 0.000 1.082 402 M CA 1.309 56.565 55.300 -0.074 0.000 1.119 402 M CB -0.097 32.391 32.600 -0.186 0.000 1.398 402 M HN 0.417 nan 8.290 nan 0.000 0.453 403 E N 0.034 120.259 120.200 0.042 0.000 2.166 403 E HA -0.029 4.321 4.350 0.000 0.000 0.192 403 E C -0.338 176.296 176.600 0.057 0.000 0.967 403 E CA 0.484 56.925 56.400 0.069 0.000 0.840 403 E CB 0.430 30.161 29.700 0.051 0.000 0.795 403 E HN 0.418 nan 8.360 nan 0.000 0.470 404 D N 0.636 121.059 120.400 0.039 0.000 2.461 404 D HA 0.135 4.775 4.640 0.000 0.000 0.240 404 D C 0.329 176.647 176.300 0.029 0.000 1.094 404 D CA -0.286 53.733 54.000 0.032 0.000 0.868 404 D CB 1.272 42.086 40.800 0.022 0.000 1.062 404 D HN 0.052 nan 8.370 nan 0.000 0.530 405 G N 1.179 110.000 108.800 0.036 0.000 3.194 405 G HA2 0.213 4.173 3.960 0.000 0.000 0.208 405 G HA3 0.213 4.173 3.960 0.000 0.000 0.208 405 G C 0.452 175.365 174.900 0.021 0.000 1.240 405 G CA -0.075 45.044 45.100 0.032 0.000 1.044 405 G HN 0.544 nan 8.290 nan 0.000 0.495 406 A N -0.740 122.090 122.820 0.017 0.000 2.330 406 A HA 0.809 5.129 4.320 0.000 0.000 0.327 406 A C -0.816 176.776 177.584 0.012 0.000 1.155 406 A CA -0.562 51.483 52.037 0.014 0.000 0.803 406 A CB 2.362 21.370 19.000 0.013 0.000 1.208 406 A HN 0.409 nan 8.150 nan 0.000 0.477 407 V N 2.557 122.478 119.914 0.011 0.000 3.160 407 V HA 0.759 4.880 4.120 0.000 0.000 0.310 407 V C -1.046 175.056 176.094 0.013 0.000 1.181 407 V CA -0.561 61.745 62.300 0.011 0.000 1.047 407 V CB 2.225 34.054 31.823 0.010 0.000 1.068 407 V HN 0.890 nan 8.190 nan 0.000 0.441 408 L N 3.318 124.550 121.223 0.015 0.000 2.479 408 L HA 0.598 4.938 4.340 0.000 0.000 0.255 408 L C -2.686 174.198 176.870 0.022 0.000 1.026 408 L CA -1.757 53.094 54.840 0.019 0.000 0.842 408 L CB 3.230 45.300 42.059 0.020 0.000 1.444 408 L HN 0.452 nan 8.230 nan 0.000 0.409 409 P HA 0.242 nan 4.420 nan 0.000 0.277 409 P C -0.944 176.374 177.300 0.031 0.000 1.240 409 P CA -0.134 62.986 63.100 0.033 0.000 0.798 409 P CB 1.901 33.627 31.700 0.043 0.000 0.979 410 A N 1.987 124.824 122.820 0.028 0.000 3.778 410 A HA 0.661 4.981 4.320 0.000 0.000 0.156 410 A C 1.294 178.890 177.584 0.019 0.000 1.681 410 A CA 0.073 52.122 52.037 0.020 0.000 1.240 410 A CB -1.016 17.995 19.000 0.019 0.000 1.750 410 A HN 0.645 nan 8.150 nan 0.000 0.675 411 G N -1.915 106.890 108.800 0.008 0.000 2.269 411 G HA2 0.164 4.124 3.960 0.000 0.000 0.277 411 G HA3 0.164 4.124 3.960 0.000 0.000 0.277 411 G C 1.671 176.567 174.900 -0.007 0.000 1.008 411 G CA 1.472 46.571 45.100 -0.001 0.000 0.774 411 G HN 2.580 nan 8.290 nan 0.000 0.511 412 G N -1.821 106.972 108.800 -0.013 0.000 2.179 412 G HA2 0.057 4.017 3.960 0.000 0.000 0.260 412 G HA3 0.057 4.017 3.960 0.000 0.000 0.260 412 G C 1.652 176.537 174.900 -0.025 0.000 0.977 412 G CA 1.298 46.382 45.100 -0.027 0.000 0.641 412 G HN 2.011 nan 8.290 nan 0.000 0.533 413 A N 1.158 123.988 122.820 0.016 0.000 1.865 413 A HA 0.167 4.487 4.320 0.000 0.000 0.217 413 A C 0.631 178.232 177.584 0.028 0.000 1.191 413 A CA 2.611 54.688 52.037 0.066 0.000 0.623 413 A CB -1.186 17.888 19.000 0.122 0.000 0.826 413 A HN 0.468 nan 8.150 nan 0.000 0.444 414 P HA -0.202 nan 4.420 nan 0.000 0.214 414 P C 1.228 178.512 177.300 -0.027 0.000 1.163 414 P CA 1.606 64.715 63.100 0.015 0.000 0.883 414 P CB -0.199 31.509 31.700 0.013 0.000 0.788 415 E N -0.151 120.024 120.200 -0.042 0.000 2.160 415 E HA -0.172 4.178 4.350 0.000 0.000 0.195 415 E C 2.112 178.654 176.600 -0.096 0.000 0.991 415 E CA 1.212 57.578 56.400 -0.058 0.000 0.810 415 E CB -1.307 28.355 29.700 -0.063 0.000 0.742 415 E HN 0.339 nan 8.360 nan 0.000 0.466 416 I N 1.071 121.541 120.570 -0.167 0.000 2.286 416 I HA -0.218 3.953 4.170 0.000 0.000 0.245 416 I C 2.696 178.608 176.117 -0.342 0.000 1.104 416 I CA 1.304 62.433 61.300 -0.286 0.000 1.397 416 I CB -0.188 37.543 38.000 -0.448 0.000 1.072 416 I HN 0.070 nan 8.210 nan 0.000 0.417 417 E N 1.700 121.700 120.200 -0.333 0.000 2.038 417 E HA -0.216 4.134 4.350 0.000 0.000 0.195 417 E C 2.198 178.782 176.600 -0.026 0.000 1.000 417 E CA 1.600 57.948 56.400 -0.087 0.000 0.803 417 E CB -0.343 29.420 29.700 0.105 0.000 0.750 417 E HN 0.365 nan 8.360 nan 0.000 0.448 418 L N -0.066 121.145 121.223 -0.020 0.000 2.042 418 L HA -0.221 4.119 4.340 0.000 0.000 0.210 418 L C 2.564 179.452 176.870 0.030 0.000 1.076 418 L CA 1.271 56.121 54.840 0.017 0.000 0.749 418 L CB -0.719 41.360 42.059 0.033 0.000 0.893 418 L HN 0.278 nan 8.230 nan 0.000 0.432 419 A N 0.302 123.120 122.820 -0.003 0.000 1.883 419 A HA -0.202 4.118 4.320 0.000 0.000 0.217 419 A C 2.183 179.779 177.584 0.020 0.000 1.186 419 A CA 1.614 53.658 52.037 0.011 0.000 0.624 419 A CB -0.639 18.343 19.000 -0.030 0.000 0.822 419 A HN 0.340 nan 8.150 nan 0.000 0.444 420 I N -0.906 119.660 120.570 -0.005 0.000 2.076 420 I HA -0.294 3.877 4.170 0.000 0.000 0.237 420 I C 2.810 178.955 176.117 0.047 0.000 1.059 420 I CA 1.640 62.952 61.300 0.020 0.000 1.317 420 I CB -0.423 37.593 38.000 0.026 0.000 1.037 420 I HN 0.289 nan 8.210 nan 0.000 0.398 421 R N 0.557 121.087 120.500 0.049 0.000 2.105 421 R HA -0.135 4.205 4.340 0.000 0.000 0.239 421 R C 2.275 178.628 176.300 0.088 0.000 1.135 421 R CA 1.239 57.374 56.100 0.058 0.000 0.967 421 R CB -0.440 29.882 30.300 0.036 0.000 0.861 421 R HN 0.409 nan 8.270 nan 0.000 0.442 422 L N 0.176 121.457 121.223 0.096 0.000 2.141 422 L HA -0.145 4.195 4.340 0.000 0.000 0.209 422 L C 1.686 178.654 176.870 0.163 0.000 1.094 422 L CA 1.017 55.952 54.840 0.158 0.000 0.763 422 L CB -0.348 41.802 42.059 0.151 0.000 0.908 422 L HN 0.081 nan 8.230 nan 0.000 0.437 423 D N -0.323 120.141 120.400 0.107 0.000 2.144 423 D HA -0.166 4.475 4.640 0.000 0.000 0.199 423 D C 2.168 178.510 176.300 0.070 0.000 0.984 423 D CA 0.837 54.884 54.000 0.078 0.000 0.834 423 D CB 0.216 41.050 40.800 0.056 0.000 0.955 423 D HN 0.177 nan 8.370 nan 0.000 0.465 424 E N -0.385 119.867 120.200 0.087 0.000 2.047 424 E HA -0.179 4.171 4.350 0.000 0.000 0.191 424 E C 1.944 178.607 176.600 0.104 0.000 0.987 424 E CA 0.594 57.042 56.400 0.080 0.000 0.799 424 E CB -0.845 28.903 29.700 0.080 0.000 0.752 424 E HN 0.439 nan 8.360 nan 0.000 0.449 425 Y N 1.890 122.193 120.300 0.005 0.000 2.151 425 Y HA -0.249 4.302 4.550 0.001 0.000 0.284 425 Y C 2.256 178.155 175.900 -0.002 0.000 1.166 425 Y CA 1.486 59.584 58.100 -0.003 0.000 1.163 425 Y CB -0.725 37.726 38.460 -0.014 0.000 0.974 425 Y HN 0.014 nan 8.280 nan 0.000 0.511 426 A N 0.531 123.287 122.820 -0.108 0.000 1.892 426 A HA -0.270 4.050 4.320 0.000 0.000 0.218 426 A C 2.285 179.774 177.584 -0.159 0.000 1.188 426 A CA 2.282 54.209 52.037 -0.183 0.000 0.631 426 A CB -0.681 18.297 19.000 -0.038 0.000 0.822 426 A HN 0.559 nan 8.150 nan 0.000 0.447 427 K N -0.517 119.838 120.400 -0.075 0.000 2.147 427 K HA -0.192 4.128 4.320 0.000 0.000 0.205 427 K C 2.233 178.792 176.600 -0.068 0.000 1.049 427 K CA 1.657 57.914 56.287 -0.051 0.000 0.936 427 K CB -0.212 32.281 32.500 -0.012 0.000 0.722 427 K HN 0.705 nan 8.250 nan 0.000 0.446 428 Q N 0.184 119.932 119.800 -0.086 0.000 2.172 428 Q HA -0.073 4.267 4.340 0.000 0.000 0.200 428 Q C 2.081 178.008 176.000 -0.122 0.000 0.964 428 Q CA 1.020 56.781 55.803 -0.070 0.000 0.855 428 Q CB 0.073 28.805 28.738 -0.009 0.000 0.918 428 Q HN 0.102 nan 8.270 nan 0.000 0.444 429 V N 0.226 119.998 119.914 -0.237 0.000 2.535 429 V HA 0.005 4.125 4.120 0.000 0.000 0.246 429 V C 1.321 177.335 176.094 -0.134 0.000 1.045 429 V CA 1.057 63.223 62.300 -0.224 0.000 1.058 429 V CB -1.117 30.487 31.823 -0.366 0.000 0.689 429 V HN 0.589 nan 8.190 nan 0.000 0.461 430 G N -0.229 108.499 108.800 -0.121 0.000 2.668 430 G HA2 0.203 4.164 3.960 0.000 0.000 0.266 430 G HA3 0.203 4.164 3.960 0.000 0.000 0.266 430 G C 0.643 175.506 174.900 -0.062 0.000 1.328 430 G CA -0.155 44.901 45.100 -0.073 0.000 0.911 430 G HN 1.803 nan 8.290 nan 0.000 0.567 431 G N -1.664 107.112 108.800 -0.041 0.000 2.645 431 G HA2 -0.114 3.846 3.960 0.000 0.000 0.239 431 G HA3 -0.114 3.846 3.960 0.000 0.000 0.239 431 G C 0.831 175.715 174.900 -0.027 0.000 1.331 431 G CA 0.988 46.069 45.100 -0.032 0.000 0.890 431 G HN 1.380 nan 8.290 nan 0.000 0.572 432 K N 0.429 120.815 120.400 -0.022 0.000 2.228 432 K HA 0.023 4.343 4.320 0.000 0.000 0.202 432 K C 2.341 178.931 176.600 -0.016 0.000 1.051 432 K CA 1.492 57.770 56.287 -0.015 0.000 0.960 432 K CB -0.021 32.473 32.500 -0.010 0.000 0.743 432 K HN 0.629 nan 8.250 nan 0.000 0.458 433 E N 1.153 121.336 120.200 -0.027 0.000 2.118 433 E HA -0.192 4.159 4.350 0.000 0.000 0.195 433 E C 2.037 178.619 176.600 -0.030 0.000 0.992 433 E CA 1.103 57.486 56.400 -0.029 0.000 0.804 433 E CB -0.144 29.529 29.700 -0.046 0.000 0.741 433 E HN 0.319 nan 8.360 nan 0.000 0.458 434 A N 0.857 123.647 122.820 -0.050 0.000 1.908 434 A HA -0.198 4.123 4.320 0.000 0.000 0.218 434 A C 2.082 179.666 177.584 -0.001 0.000 1.181 434 A CA 1.235 53.239 52.037 -0.055 0.000 0.627 434 A CB -0.501 18.463 19.000 -0.061 0.000 0.818 434 A HN 0.112 nan 8.150 nan 0.000 0.445 435 L N -0.477 120.752 121.223 0.010 0.000 2.083 435 L HA -0.141 4.199 4.340 0.000 0.000 0.209 435 L C 2.943 179.861 176.870 0.079 0.000 1.083 435 L CA 1.826 56.687 54.840 0.035 0.000 0.752 435 L CB -0.738 41.333 42.059 0.020 0.000 0.899 435 L HN 0.390 nan 8.230 nan 0.000 0.433 436 A N -0.524 122.343 122.820 0.080 0.000 1.897 436 A HA -0.091 4.229 4.320 0.000 0.000 0.215 436 A C 2.294 180.075 177.584 0.329 0.000 1.181 436 A CA 1.368 53.501 52.037 0.161 0.000 0.620 436 A CB -0.640 18.394 19.000 0.057 0.000 0.821 436 A HN 0.356 nan 8.150 nan 0.000 0.443 437 I N -0.440 120.241 120.570 0.185 0.000 2.394 437 I HA -0.228 3.943 4.170 0.000 0.000 0.251 437 I C 2.397 178.624 176.117 0.184 0.000 1.136 437 I CA 1.315 62.710 61.300 0.159 0.000 1.425 437 I CB -0.402 37.610 38.000 0.021 0.000 1.079 437 I HN 0.423 nan 8.210 nan 0.000 0.425 438 E N 0.929 121.211 120.200 0.137 0.000 2.072 438 E HA -0.187 4.163 4.350 0.000 0.000 0.191 438 E C 1.816 178.503 176.600 0.145 0.000 0.985 438 E CA 1.220 57.690 56.400 0.116 0.000 0.801 438 E CB -0.136 29.608 29.700 0.073 0.000 0.750 438 E HN 0.575 nan 8.360 nan 0.000 0.452 439 N N -0.143 118.675 118.700 0.196 0.000 2.270 439 N HA -0.110 4.630 4.740 0.000 0.000 0.181 439 N C 1.713 177.331 175.510 0.179 0.000 1.016 439 N CA 0.351 53.518 53.050 0.195 0.000 0.870 439 N CB -0.087 38.550 38.487 0.249 0.000 0.979 439 N HN 0.072 nan 8.380 nan 0.000 0.431 440 F N 2.171 122.150 119.950 0.047 0.000 2.134 440 F HA -0.116 4.412 4.527 0.000 0.000 0.299 440 F C 2.392 178.115 175.800 -0.127 0.000 1.097 440 F CA 1.194 59.049 58.000 -0.241 0.000 1.264 440 F CB -0.066 38.744 39.000 -0.318 0.000 1.001 440 F HN -0.056 nan 8.300 nan 0.000 0.479 441 A N -0.472 122.512 122.820 0.273 0.000 1.930 441 A HA -0.229 4.091 4.320 0.000 0.000 0.217 441 A C 1.785 179.389 177.584 0.033 0.000 1.175 441 A CA 1.980 54.116 52.037 0.165 0.000 0.627 441 A CB -1.104 17.986 19.000 0.151 0.000 0.815 441 A HN 0.532 nan 8.150 nan 0.000 0.443 442 D N -0.685 119.731 120.400 0.027 0.000 2.224 442 D HA 0.104 4.744 4.640 0.000 0.000 0.205 442 D C 1.906 178.174 176.300 -0.054 0.000 0.965 442 D CA 1.055 55.051 54.000 -0.006 0.000 0.852 442 D CB -0.083 40.727 40.800 0.017 0.000 0.947 442 D HN 0.339 nan 8.370 nan 0.000 0.494 443 A N 0.118 122.875 122.820 -0.105 0.000 1.929 443 A HA -0.028 4.292 4.320 0.000 0.000 0.216 443 A C 2.164 179.633 177.584 -0.191 0.000 1.176 443 A CA 0.592 52.530 52.037 -0.165 0.000 0.628 443 A CB -0.710 18.129 19.000 -0.268 0.000 0.816 443 A HN 0.348 nan 8.150 nan 0.000 0.444 444 L N -0.607 120.486 121.223 -0.216 0.000 2.349 444 L HA -0.173 4.167 4.340 0.000 0.000 0.220 444 L C 1.995 178.797 176.870 -0.114 0.000 1.130 444 L CA 1.141 55.874 54.840 -0.179 0.000 0.791 444 L CB -0.415 41.562 42.059 -0.136 0.000 0.918 444 L HN 0.395 nan 8.230 nan 0.000 0.444 445 K N 0.197 120.541 120.400 -0.093 0.000 2.504 445 K HA -0.084 4.237 4.320 0.000 0.000 0.195 445 K C 1.810 178.368 176.600 -0.069 0.000 1.036 445 K CA 0.684 56.927 56.287 -0.073 0.000 0.984 445 K CB -0.085 32.380 32.500 -0.057 0.000 0.788 445 K HN 0.301 nan 8.250 nan 0.000 0.488 446 I N -0.011 120.513 120.570 -0.077 0.000 2.423 446 I HA -0.260 3.910 4.170 0.000 0.000 0.254 446 I C 1.773 177.852 176.117 -0.064 0.000 1.151 446 I CA 1.189 62.449 61.300 -0.068 0.000 1.421 446 I CB -0.616 37.341 38.000 -0.072 0.000 1.079 446 I HN -0.010 nan 8.210 nan 0.000 0.431 447 I N 1.307 121.835 120.570 -0.069 0.000 2.090 447 I HA -0.144 4.027 4.170 0.000 0.000 0.236 447 I C 0.271 176.353 176.117 -0.057 0.000 1.064 447 I CA 1.894 63.157 61.300 -0.062 0.000 1.324 447 I CB -2.828 35.135 38.000 -0.062 0.000 1.044 447 I HN 0.195 nan 8.210 nan 0.000 0.399 448 P HA -0.188 nan 4.420 nan 0.000 0.215 448 P C 1.793 179.063 177.300 -0.050 0.000 1.157 448 P CA 1.671 64.740 63.100 -0.051 0.000 0.868 448 P CB -0.128 31.541 31.700 -0.052 0.000 0.788 449 K N -0.263 120.108 120.400 -0.049 0.000 2.063 449 K HA -0.163 4.158 4.320 0.000 0.000 0.208 449 K C 1.795 178.367 176.600 -0.047 0.000 1.048 449 K CA 2.368 58.628 56.287 -0.045 0.000 0.928 449 K CB -0.652 31.822 32.500 -0.043 0.000 0.713 449 K HN 0.212 nan 8.250 nan 0.000 0.442 450 T N -1.318 113.205 114.554 -0.051 0.000 3.088 450 T HA 0.065 4.415 4.350 0.000 0.000 0.259 450 T C 1.933 176.598 174.700 -0.060 0.000 1.122 450 T CA 0.224 62.293 62.100 -0.052 0.000 1.095 450 T CB -0.061 68.777 68.868 -0.051 0.000 0.930 450 T HN 0.148 nan 8.240 nan 0.000 0.508 451 L N 0.671 121.856 121.223 -0.064 0.000 2.072 451 L HA 0.134 4.474 4.340 0.000 0.000 0.205 451 L C 3.286 180.104 176.870 -0.087 0.000 1.079 451 L CA 1.298 56.090 54.840 -0.080 0.000 0.752 451 L CB -0.686 41.326 42.059 -0.079 0.000 0.906 451 L HN 0.387 nan 8.230 nan 0.000 0.436 452 A N -0.353 122.426 122.820 -0.070 0.000 1.929 452 A HA -0.223 4.097 4.320 0.000 0.000 0.216 452 A C 2.210 179.760 177.584 -0.057 0.000 1.176 452 A CA 1.556 53.556 52.037 -0.063 0.000 0.628 452 A CB -0.420 18.552 19.000 -0.047 0.000 0.816 452 A HN 0.440 nan 8.150 nan 0.000 0.444 453 E N 0.220 120.389 120.200 -0.051 0.000 2.023 453 E HA -0.242 4.108 4.350 0.000 0.000 0.196 453 E C 1.565 178.136 176.600 -0.048 0.000 1.003 453 E CA 1.475 57.849 56.400 -0.044 0.000 0.809 453 E CB -0.181 29.495 29.700 -0.041 0.000 0.755 453 E HN 0.521 nan 8.360 nan 0.000 0.449 454 N N 0.090 118.757 118.700 -0.056 0.000 2.430 454 N HA -0.148 4.593 4.740 0.000 0.000 0.186 454 N C 1.138 176.609 175.510 -0.066 0.000 1.032 454 N CA 1.123 54.138 53.050 -0.058 0.000 0.893 454 N CB -0.199 38.248 38.487 -0.065 0.000 0.957 454 N HN 0.253 nan 8.380 nan 0.000 0.442 455 A N -0.540 122.233 122.820 -0.077 0.000 2.238 455 A HA 0.429 4.749 4.320 0.000 0.000 0.210 455 A C 1.465 179.018 177.584 -0.051 0.000 1.179 455 A CA 0.727 52.715 52.037 -0.083 0.000 0.827 455 A CB -0.135 18.796 19.000 -0.115 0.000 0.856 455 A HN 0.268 nan 8.150 nan 0.000 0.488 456 G N -0.929 107.845 108.800 -0.042 0.000 2.132 456 G HA2 -0.187 3.773 3.960 0.000 0.000 0.228 456 G HA3 -0.187 3.773 3.960 0.000 0.000 0.228 456 G C 0.005 174.890 174.900 -0.025 0.000 1.000 456 G CA 0.310 45.392 45.100 -0.029 0.000 0.693 456 G HN 0.436 nan 8.290 nan 0.000 0.515 457 L N 0.085 121.290 121.223 -0.030 0.000 2.416 457 L HA 0.466 4.806 4.340 0.000 0.000 0.262 457 L C 0.604 177.462 176.870 -0.022 0.000 1.093 457 L CA -1.003 53.823 54.840 -0.024 0.000 0.801 457 L CB 0.754 42.796 42.059 -0.028 0.000 1.191 457 L HN 0.140 nan 8.230 nan 0.000 0.459 458 D N 0.772 121.163 120.400 -0.016 0.000 2.342 458 D HA -0.018 4.623 4.640 0.000 0.000 0.260 458 D C 0.837 177.126 176.300 -0.017 0.000 1.278 458 D CA 0.051 54.042 54.000 -0.015 0.000 0.910 458 D CB 1.253 42.047 40.800 -0.010 0.000 1.079 458 D HN 0.525 nan 8.370 nan 0.000 0.496 459 T N 3.098 117.639 114.554 -0.020 0.000 2.624 459 T HA -0.167 4.183 4.350 0.000 0.000 0.268 459 T C 2.034 176.723 174.700 -0.019 0.000 1.041 459 T CA 1.382 63.468 62.100 -0.022 0.000 1.159 459 T CB -0.002 68.852 68.868 -0.024 0.000 0.863 459 T HN 0.364 nan 8.240 nan 0.000 0.434 460 V N 1.521 121.426 119.914 -0.015 0.000 2.255 460 V HA -0.213 3.907 4.120 0.000 0.000 0.247 460 V C 2.481 178.569 176.094 -0.009 0.000 1.051 460 V CA 1.929 64.221 62.300 -0.012 0.000 1.018 460 V CB -0.688 31.129 31.823 -0.010 0.000 0.641 460 V HN 0.585 nan 8.190 nan 0.000 0.445 461 E N -0.614 119.581 120.200 -0.008 0.000 2.051 461 E HA -0.221 4.129 4.350 0.000 0.000 0.192 461 E C 2.333 178.931 176.600 -0.005 0.000 0.991 461 E CA 1.368 57.766 56.400 -0.005 0.000 0.799 461 E CB -0.265 29.432 29.700 -0.004 0.000 0.748 461 E HN 0.365 nan 8.360 nan 0.000 0.449 462 M N 0.757 120.353 119.600 -0.008 0.000 2.110 462 M HA -0.199 4.281 4.480 0.000 0.000 0.257 462 M C 2.409 178.705 176.300 -0.007 0.000 1.071 462 M CA 1.336 56.632 55.300 -0.008 0.000 1.096 462 M CB -1.040 31.551 32.600 -0.015 0.000 1.300 462 M HN 0.174 nan 8.290 nan 0.000 0.411 463 L N -0.235 120.981 121.223 -0.012 0.000 2.021 463 L HA -0.237 4.103 4.340 0.000 0.000 0.215 463 L C 2.602 179.469 176.870 -0.006 0.000 1.074 463 L CA 1.684 56.515 54.840 -0.014 0.000 0.760 463 L CB -1.564 40.484 42.059 -0.018 0.000 0.889 463 L HN 0.170 nan 8.230 nan 0.000 0.433 464 V N -0.447 119.465 119.914 -0.002 0.000 2.343 464 V HA -0.287 3.833 4.120 0.000 0.000 0.247 464 V C 2.529 178.629 176.094 0.010 0.000 1.051 464 V CA 1.649 63.951 62.300 0.003 0.000 1.036 464 V CB -0.550 31.274 31.823 0.003 0.000 0.654 464 V HN 0.446 nan 8.190 nan 0.000 0.451 465 K N -0.055 120.351 120.400 0.009 0.000 2.001 465 K HA -0.109 4.211 4.320 0.000 0.000 0.208 465 K C 2.083 178.698 176.600 0.025 0.000 1.048 465 K CA 1.531 57.827 56.287 0.015 0.000 0.932 465 K CB -0.454 32.053 32.500 0.012 0.000 0.715 465 K HN 0.374 nan 8.250 nan 0.000 0.437 466 V N 2.079 122.007 119.914 0.023 0.000 2.255 466 V HA -0.287 3.834 4.120 0.000 0.000 0.247 466 V C 2.272 178.403 176.094 0.061 0.000 1.051 466 V CA 1.814 64.137 62.300 0.038 0.000 1.018 466 V CB -0.623 31.210 31.823 0.018 0.000 0.641 466 V HN 0.274 nan 8.190 nan 0.000 0.445 467 I N 0.406 120.994 120.570 0.030 0.000 2.163 467 I HA -0.283 3.887 4.170 0.000 0.000 0.243 467 I C 2.822 178.983 176.117 0.072 0.000 1.085 467 I CA 2.022 63.341 61.300 0.032 0.000 1.347 467 I CB -0.555 37.447 38.000 0.002 0.000 1.044 467 I HN 0.406 nan 8.210 nan 0.000 0.408 468 S N 0.629 116.360 115.700 0.050 0.000 2.354 468 S HA -0.291 4.180 4.470 0.000 0.000 0.219 468 S C 2.003 176.639 174.600 0.060 0.000 1.035 468 S CA 2.125 60.353 58.200 0.047 0.000 1.037 468 S CB -0.279 62.939 63.200 0.030 0.000 0.956 468 S HN 0.403 nan 8.310 nan 0.000 0.428 469 E N 0.318 120.552 120.200 0.057 0.000 2.086 469 E HA -0.254 4.096 4.350 0.000 0.000 0.200 469 E C 1.861 178.499 176.600 0.062 0.000 1.012 469 E CA 2.256 58.686 56.400 0.050 0.000 0.812 469 E CB -0.704 29.024 29.700 0.048 0.000 0.743 469 E HN 0.812 nan 8.360 nan 0.000 0.453 470 H N -0.177 118.896 119.070 0.005 0.000 2.319 470 H HA -0.017 4.539 4.556 0.000 0.000 0.299 470 H C 1.791 177.123 175.328 0.007 0.000 1.092 470 H CA 2.097 58.149 56.048 0.006 0.000 1.302 470 H CB 0.130 29.895 29.762 0.005 0.000 1.373 470 H HN 0.040 nan 8.280 nan 0.000 0.497 471 K N -0.359 120.138 120.400 0.161 0.000 2.211 471 K HA -0.126 4.194 4.320 0.000 0.000 0.204 471 K C 1.650 178.266 176.600 0.028 0.000 1.047 471 K CA 1.181 57.525 56.287 0.096 0.000 0.935 471 K CB 0.111 32.659 32.500 0.079 0.000 0.728 471 K HN 0.428 nan 8.250 nan 0.000 0.452 472 N N 0.291 118.997 118.700 0.011 0.000 2.319 472 N HA 0.001 4.741 4.740 0.000 0.000 0.189 472 N C 1.580 177.070 175.510 -0.034 0.000 1.042 472 N CA 0.878 53.924 53.050 -0.007 0.000 0.879 472 N CB 0.040 38.528 38.487 0.002 0.000 1.052 472 N HN 0.073 nan 8.380 nan 0.000 0.446 473 R N 0.614 121.084 120.500 -0.051 0.000 2.276 473 R HA 0.189 4.529 4.340 0.000 0.000 0.203 473 R C 0.969 177.194 176.300 -0.124 0.000 1.017 473 R CA 0.504 56.563 56.100 -0.069 0.000 1.010 473 R CB 0.132 30.401 30.300 -0.052 0.000 0.900 473 R HN 0.269 nan 8.270 nan 0.000 0.469 474 G N 0.194 108.866 108.800 -0.214 0.000 2.409 474 G HA2 -0.238 3.722 3.960 0.000 0.000 0.421 474 G HA3 -0.238 3.722 3.960 0.000 0.000 0.421 474 G C 0.080 174.600 174.900 -0.634 0.000 1.259 474 G CA -0.302 44.616 45.100 -0.303 0.000 1.011 474 G HN 0.081 nan 8.290 nan 0.000 0.497 475 L N 1.139 122.135 121.223 -0.377 0.000 1.989 475 L HA 0.184 4.524 4.340 0.000 0.000 0.211 475 L C 2.902 179.709 176.870 -0.105 0.000 1.071 475 L CA 3.621 58.322 54.840 -0.231 0.000 0.749 475 L CB -1.165 40.877 42.059 -0.028 0.000 0.890 475 L HN 1.614 nan 8.230 nan 0.000 0.431 476 G N 0.428 109.178 108.800 -0.083 0.000 2.516 476 G HA2 -0.159 3.802 3.960 0.000 0.000 0.221 476 G HA3 -0.159 3.802 3.960 0.000 0.000 0.221 476 G C 0.867 175.775 174.900 0.014 0.000 1.107 476 G CA 0.465 45.556 45.100 -0.016 0.000 0.747 476 G HN 0.360 nan 8.290 nan 0.000 0.567 477 I N 1.845 122.399 120.570 -0.028 0.000 2.581 477 I HA 0.357 4.527 4.170 0.000 0.000 0.285 477 I C 0.991 177.238 176.117 0.216 0.000 1.129 477 I CA -0.162 61.181 61.300 0.072 0.000 1.397 477 I CB -0.069 37.947 38.000 0.027 0.000 1.399 477 I HN 0.039 nan 8.210 nan 0.000 0.537 478 G N 6.674 115.542 108.800 0.114 0.000 2.975 478 G HA2 0.707 4.667 3.960 0.000 0.000 0.291 478 G HA3 0.707 4.667 3.960 0.000 0.000 0.291 478 G C -0.841 174.087 174.900 0.046 0.000 1.334 478 G CA -0.723 44.426 45.100 0.081 0.000 0.843 478 G HN 0.377 nan 8.290 nan 0.000 0.548 479 I N 0.640 121.222 120.570 0.019 0.000 2.428 479 I HA 0.270 4.440 4.170 0.000 0.000 0.296 479 I C -0.895 175.222 176.117 0.001 0.000 0.985 479 I CA -0.454 60.848 61.300 0.003 0.000 1.260 479 I CB 1.915 39.902 38.000 -0.021 0.000 1.389 479 I HN 0.283 nan 8.210 nan 0.000 0.484 480 D N 5.512 125.917 120.400 0.008 0.000 2.479 480 D HA 0.132 4.772 4.640 0.000 0.000 0.247 480 D C 0.963 177.254 176.300 -0.013 0.000 1.119 480 D CA -0.483 53.535 54.000 0.029 0.000 0.922 480 D CB 1.312 42.154 40.800 0.070 0.000 1.014 480 D HN 0.380 nan 8.370 nan 0.000 0.510 481 V N 1.815 121.653 119.914 -0.127 0.000 2.546 481 V HA -0.208 3.912 4.120 0.000 0.000 0.254 481 V C 1.668 177.638 176.094 -0.206 0.000 1.076 481 V CA 1.242 63.410 62.300 -0.220 0.000 1.087 481 V CB -1.084 30.514 31.823 -0.375 0.000 0.674 481 V HN 0.259 nan 8.190 nan 0.000 0.470 482 F N 0.894 120.841 119.950 -0.004 0.000 2.163 482 F HA 0.142 4.669 4.527 0.000 0.000 0.297 482 F C 2.454 178.252 175.800 -0.004 0.000 1.094 482 F CA 1.834 59.831 58.000 -0.005 0.000 1.290 482 F CB -0.437 38.559 39.000 -0.006 0.000 1.017 482 F HN 0.256 nan 8.300 nan 0.000 0.483 483 E N -0.430 119.878 120.200 0.181 0.000 2.474 483 E HA 0.190 4.541 4.350 0.000 0.000 0.195 483 E C 1.436 178.070 176.600 0.056 0.000 1.039 483 E CA 0.456 56.917 56.400 0.102 0.000 0.881 483 E CB -0.152 29.598 29.700 0.084 0.000 0.970 483 E HN 0.255 nan 8.360 nan 0.000 0.486 484 G N 1.661 110.483 108.800 0.037 0.000 2.249 484 G HA2 -0.328 3.632 3.960 0.000 0.000 0.273 484 G HA3 -0.328 3.632 3.960 0.000 0.000 0.273 484 G C -0.107 174.799 174.900 0.011 0.000 1.036 484 G CA 1.041 46.147 45.100 0.011 0.000 0.824 484 G HN 0.390 nan 8.290 nan 0.000 0.504 485 K N -2.105 118.305 120.400 0.017 0.000 2.579 485 K HA 0.660 4.980 4.320 0.000 0.000 0.284 485 K C -3.388 173.225 176.600 0.021 0.000 0.990 485 K CA -2.265 54.032 56.287 0.017 0.000 0.880 485 K CB 1.505 34.017 32.500 0.019 0.000 1.488 485 K HN -0.056 nan 8.250 nan 0.000 0.425 486 P HA 0.218 nan 4.420 nan 0.000 0.271 486 P C -1.155 176.163 177.300 0.031 0.000 1.238 486 P CA -0.066 63.051 63.100 0.029 0.000 0.794 486 P CB 0.573 32.293 31.700 0.033 0.000 0.959 487 A N 0.015 122.856 122.820 0.035 0.000 2.549 487 A HA 0.346 4.666 4.320 0.000 0.000 0.291 487 A C -1.553 176.048 177.584 0.029 0.000 1.034 487 A CA -0.533 51.523 52.037 0.030 0.000 0.655 487 A CB 0.422 19.444 19.000 0.036 0.000 1.299 487 A HN 0.447 nan 8.150 nan 0.000 0.427 488 D N 2.088 122.499 120.400 0.019 0.000 2.374 488 D HA 0.233 4.873 4.640 0.000 0.000 0.240 488 D C 1.176 177.489 176.300 0.022 0.000 1.229 488 D CA -0.376 53.631 54.000 0.012 0.000 0.895 488 D CB 0.448 41.248 40.800 0.001 0.000 1.046 488 D HN 0.376 nan 8.370 nan 0.000 0.498 489 M N 3.302 122.919 119.600 0.030 0.000 2.149 489 M HA -0.194 4.287 4.480 0.000 0.000 0.261 489 M C 1.653 177.970 176.300 0.027 0.000 1.064 489 M CA 0.864 56.185 55.300 0.035 0.000 1.102 489 M CB -0.630 31.995 32.600 0.040 0.000 1.369 489 M HN 0.398 nan 8.290 nan 0.000 0.408 490 L N 0.432 121.667 121.223 0.019 0.000 1.994 490 L HA -0.170 4.170 4.340 0.000 0.000 0.208 490 L C 2.345 179.222 176.870 0.011 0.000 1.071 490 L CA 1.801 56.649 54.840 0.013 0.000 0.745 490 L CB -1.256 40.807 42.059 0.007 0.000 0.892 490 L HN 0.373 nan 8.230 nan 0.000 0.431 491 E N -0.381 119.825 120.200 0.009 0.000 2.171 491 E HA -0.245 4.105 4.350 0.000 0.000 0.197 491 E C 1.712 178.318 176.600 0.010 0.000 0.997 491 E CA 1.228 57.632 56.400 0.007 0.000 0.810 491 E CB -0.145 29.558 29.700 0.006 0.000 0.738 491 E HN 0.501 nan 8.360 nan 0.000 0.467 492 K N -0.456 119.955 120.400 0.017 0.000 2.444 492 K HA 0.101 4.422 4.320 0.000 0.000 0.193 492 K C 1.052 177.665 176.600 0.021 0.000 1.024 492 K CA 0.473 56.773 56.287 0.021 0.000 1.077 492 K CB 0.586 33.107 32.500 0.035 0.000 0.833 492 K HN 0.215 nan 8.250 nan 0.000 0.517 493 G N 2.309 111.120 108.800 0.019 0.000 2.168 493 G HA2 -0.268 3.692 3.960 0.000 0.000 0.257 493 G HA3 -0.268 3.692 3.960 0.000 0.000 0.257 493 G C 0.129 175.044 174.900 0.025 0.000 0.997 493 G CA -0.060 45.050 45.100 0.018 0.000 0.708 493 G HN 0.347 nan 8.290 nan 0.000 0.520 494 I N 1.861 122.452 120.570 0.034 0.000 2.241 494 I HA 0.414 4.585 4.170 0.000 0.000 0.294 494 I C 0.920 177.057 176.117 0.033 0.000 1.145 494 I CA -0.394 60.932 61.300 0.043 0.000 1.261 494 I CB -0.139 37.896 38.000 0.059 0.000 1.475 494 I HN 0.318 nan 8.210 nan 0.000 0.533 495 I N 3.006 123.592 120.570 0.027 0.000 2.934 495 I HA 0.726 4.896 4.170 0.000 0.000 0.306 495 I C -0.749 175.379 176.117 0.019 0.000 1.110 495 I CA -0.711 60.602 61.300 0.022 0.000 1.019 495 I CB 2.380 40.390 38.000 0.018 0.000 1.227 495 I HN 0.414 nan 8.210 nan 0.000 0.434 496 E N 2.914 123.124 120.200 0.016 0.000 2.392 496 E HA 0.655 5.005 4.350 0.000 0.000 0.269 496 E C -3.063 173.544 176.600 0.011 0.000 0.924 496 E CA -2.398 54.010 56.400 0.013 0.000 0.784 496 E CB 2.132 31.838 29.700 0.011 0.000 1.292 496 E HN 0.283 nan 8.360 nan 0.000 0.447 497 P HA 0.000 nan 4.420 nan 0.000 0.271 497 P C 0.559 177.865 177.300 0.010 0.000 1.218 497 P CA -0.365 62.740 63.100 0.009 0.000 0.780 497 P CB 0.661 32.366 31.700 0.008 0.000 0.901 498 L N 3.024 124.253 121.223 0.011 0.000 2.083 498 L HA -0.158 4.182 4.340 0.000 0.000 0.209 498 L C 2.234 179.111 176.870 0.010 0.000 1.083 498 L CA 1.721 56.568 54.840 0.011 0.000 0.752 498 L CB -0.308 41.758 42.059 0.011 0.000 0.899 498 L HN 0.448 nan 8.230 nan 0.000 0.433 499 R N -0.670 119.837 120.500 0.011 0.000 2.105 499 R HA -0.156 4.184 4.340 0.000 0.000 0.239 499 R C 2.101 178.407 176.300 0.009 0.000 1.135 499 R CA 1.623 57.730 56.100 0.011 0.000 0.967 499 R CB -0.141 30.166 30.300 0.012 0.000 0.861 499 R HN 0.280 nan 8.270 nan 0.000 0.442 500 V N 1.086 121.004 119.914 0.008 0.000 2.255 500 V HA -0.268 3.852 4.120 0.000 0.000 0.247 500 V C 2.292 178.388 176.094 0.003 0.000 1.051 500 V CA 2.140 64.443 62.300 0.005 0.000 1.018 500 V CB -0.440 31.385 31.823 0.004 0.000 0.641 500 V HN 0.290 nan 8.190 nan 0.000 0.445 501 K N 0.034 120.436 120.400 0.004 0.000 2.103 501 K HA -0.099 4.221 4.320 0.000 0.000 0.204 501 K C 2.105 178.711 176.600 0.009 0.000 1.052 501 K CA 1.230 57.519 56.287 0.004 0.000 0.945 501 K CB -0.148 32.355 32.500 0.006 0.000 0.722 501 K HN 0.402 nan 8.250 nan 0.000 0.443 502 K N -0.299 120.108 120.400 0.011 0.000 2.057 502 K HA -0.186 4.134 4.320 0.000 0.000 0.206 502 K C 2.224 178.834 176.600 0.016 0.000 1.050 502 K CA 1.505 57.801 56.287 0.014 0.000 0.935 502 K CB -0.060 32.447 32.500 0.011 0.000 0.715 502 K HN 0.042 nan 8.250 nan 0.000 0.439 503 Q N 0.867 120.674 119.800 0.013 0.000 2.083 503 Q HA -0.028 4.312 4.340 0.000 0.000 0.198 503 Q C 1.875 177.882 176.000 0.011 0.000 0.969 503 Q CA 1.617 57.428 55.803 0.013 0.000 0.838 503 Q CB -0.237 28.507 28.738 0.010 0.000 0.900 503 Q HN 0.287 nan 8.270 nan 0.000 0.436 504 A N 0.281 123.104 122.820 0.005 0.000 1.873 504 A HA -0.223 4.097 4.320 0.000 0.000 0.218 504 A C 1.990 179.573 177.584 -0.001 0.000 1.193 504 A CA 1.870 53.904 52.037 -0.004 0.000 0.629 504 A CB -0.895 18.098 19.000 -0.012 0.000 0.826 504 A HN 0.430 nan 8.150 nan 0.000 0.447 505 I N -0.023 120.555 120.570 0.013 0.000 2.226 505 I HA -0.231 3.940 4.170 0.000 0.000 0.245 505 I C 2.386 178.540 176.117 0.061 0.000 1.100 505 I CA 1.681 63.006 61.300 0.041 0.000 1.374 505 I CB -0.439 37.608 38.000 0.078 0.000 1.057 505 I HN 0.295 nan 8.210 nan 0.000 0.413 506 K N -0.167 120.262 120.400 0.048 0.000 1.978 506 K HA -0.154 4.166 4.320 0.000 0.000 0.214 506 K C 2.287 178.914 176.600 0.045 0.000 1.049 506 K CA 2.012 58.328 56.287 0.048 0.000 0.939 506 K CB -0.482 32.037 32.500 0.033 0.000 0.721 506 K HN 0.180 nan 8.250 nan 0.000 0.441 507 S N 0.829 116.546 115.700 0.029 0.000 2.370 507 S HA -0.193 4.278 4.470 0.000 0.000 0.226 507 S C 2.116 176.731 174.600 0.024 0.000 1.033 507 S CA 1.333 59.548 58.200 0.024 0.000 1.011 507 S CB -0.337 62.871 63.200 0.014 0.000 0.852 507 S HN 0.459 nan 8.310 nan 0.000 0.457 508 A N 1.852 124.679 122.820 0.012 0.000 1.865 508 A HA -0.144 4.177 4.320 0.000 0.000 0.217 508 A C 2.409 180.003 177.584 0.018 0.000 1.191 508 A CA 2.251 54.283 52.037 -0.007 0.000 0.623 508 A CB -1.085 17.885 19.000 -0.051 0.000 0.826 508 A HN 0.641 nan 8.150 nan 0.000 0.444 509 S N -0.062 115.673 115.700 0.059 0.000 2.387 509 S HA -0.142 4.329 4.470 0.000 0.000 0.226 509 S C 1.647 176.330 174.600 0.140 0.000 1.026 509 S CA 1.229 59.512 58.200 0.138 0.000 0.972 509 S CB -0.548 62.817 63.200 0.275 0.000 0.814 509 S HN 0.666 nan 8.310 nan 0.000 0.477 510 E N 1.842 122.101 120.200 0.099 0.000 2.153 510 E HA -0.033 4.317 4.350 0.000 0.000 0.194 510 E C 2.342 178.987 176.600 0.076 0.000 0.988 510 E CA 0.991 57.442 56.400 0.085 0.000 0.811 510 E CB -0.347 29.390 29.700 0.060 0.000 0.746 510 E HN 0.724 nan 8.360 nan 0.000 0.466 511 A N 1.596 124.454 122.820 0.064 0.000 1.874 511 A HA 0.046 4.366 4.320 0.000 0.000 0.214 511 A C 2.419 180.044 177.584 0.069 0.000 1.189 511 A CA 1.289 53.358 52.037 0.053 0.000 0.615 511 A CB -0.483 18.538 19.000 0.036 0.000 0.830 511 A HN 0.263 nan 8.150 nan 0.000 0.443 512 A N 0.211 123.083 122.820 0.088 0.000 1.883 512 A HA -0.118 4.202 4.320 0.000 0.000 0.217 512 A C 2.109 179.784 177.584 0.152 0.000 1.186 512 A CA 1.619 53.730 52.037 0.123 0.000 0.624 512 A CB -0.664 18.433 19.000 0.161 0.000 0.822 512 A HN 0.495 nan 8.150 nan 0.000 0.444 513 I N -0.897 119.779 120.570 0.176 0.000 2.286 513 I HA -0.279 3.891 4.170 0.000 0.000 0.248 513 I C 2.713 178.884 176.117 0.089 0.000 1.115 513 I CA 1.862 63.252 61.300 0.150 0.000 1.392 513 I CB -0.297 37.799 38.000 0.159 0.000 1.065 513 I HN 0.532 nan 8.210 nan 0.000 0.418 514 M N 0.922 120.568 119.600 0.076 0.000 2.159 514 M HA -0.208 4.272 4.480 0.000 0.000 0.263 514 M C 2.229 178.557 176.300 0.047 0.000 1.063 514 M CA 1.966 57.299 55.300 0.055 0.000 1.110 514 M CB -0.020 32.608 32.600 0.047 0.000 1.374 514 M HN 0.106 nan 8.290 nan 0.000 0.411 515 I N 0.059 120.659 120.570 0.051 0.000 2.233 515 I HA -0.256 3.914 4.170 0.000 0.000 0.243 515 I C 2.033 178.169 176.117 0.033 0.000 1.093 515 I CA 0.711 62.035 61.300 0.041 0.000 1.380 515 I CB -0.474 37.551 38.000 0.043 0.000 1.067 515 I HN 0.305 nan 8.210 nan 0.000 0.413 516 L N 0.735 121.980 121.223 0.036 0.000 2.261 516 L HA -0.156 4.184 4.340 0.000 0.000 0.216 516 L C 2.380 179.255 176.870 0.008 0.000 1.114 516 L CA 1.655 56.502 54.840 0.012 0.000 0.777 516 L CB -0.878 41.178 42.059 -0.005 0.000 0.910 516 L HN 0.138 nan 8.230 nan 0.000 0.440 517 R N -1.269 119.245 120.500 0.023 0.000 2.275 517 R HA 0.131 4.472 4.340 0.000 0.000 0.199 517 R C 0.389 176.701 176.300 0.021 0.000 0.989 517 R CA 0.013 56.128 56.100 0.026 0.000 1.016 517 R CB 0.038 30.360 30.300 0.036 0.000 0.918 517 R HN 0.242 nan 8.270 nan 0.000 0.473 518 I N 2.502 123.084 120.570 0.020 0.000 2.416 518 I HA -0.036 4.134 4.170 0.000 0.000 0.288 518 I C 0.567 176.693 176.117 0.015 0.000 1.051 518 I CA 0.192 61.504 61.300 0.021 0.000 1.375 518 I CB 0.908 38.923 38.000 0.025 0.000 1.407 518 I HN 0.123 nan 8.210 nan 0.000 0.516 519 D N 4.096 124.505 120.400 0.016 0.000 2.563 519 D HA 0.129 4.769 4.640 0.000 0.000 0.237 519 D C -0.404 175.914 176.300 0.029 0.000 1.282 519 D CA -0.082 53.926 54.000 0.012 0.000 0.816 519 D CB 0.548 41.343 40.800 -0.009 0.000 1.066 519 D HN 0.348 nan 8.370 nan 0.000 0.501 520 D N 0.193 120.617 120.400 0.040 0.000 2.931 520 D HA 0.283 4.923 4.640 0.000 0.000 0.215 520 D C -1.544 174.794 176.300 0.064 0.000 1.297 520 D CA -0.441 53.590 54.000 0.051 0.000 0.892 520 D CB 2.427 43.246 40.800 0.032 0.000 1.642 520 D HN -0.181 nan 8.370 nan 0.000 0.560 521 V N 4.918 124.896 119.914 0.106 0.000 2.483 521 V HA 0.532 4.652 4.120 0.000 0.000 0.297 521 V C 0.019 176.188 176.094 0.124 0.000 1.027 521 V CA -0.576 61.794 62.300 0.117 0.000 0.855 521 V CB 1.675 33.592 31.823 0.157 0.000 0.995 521 V HN 0.476 nan 8.190 nan 0.000 0.424 522 I N 4.487 125.098 120.570 0.068 0.000 2.466 522 I HA 0.673 4.844 4.170 0.000 0.000 0.279 522 I C 0.187 176.325 176.117 0.034 0.000 1.033 522 I CA -0.460 60.866 61.300 0.044 0.000 1.123 522 I CB 1.693 39.705 38.000 0.020 0.000 1.237 522 I HN 0.652 nan 8.210 nan 0.000 0.460 523 A N 4.935 127.782 122.820 0.044 0.000 2.288 523 A HA 0.876 5.196 4.320 0.000 0.000 0.320 523 A C 0.254 177.847 177.584 0.015 0.000 1.217 523 A CA -0.390 51.663 52.037 0.026 0.000 0.840 523 A CB 1.042 20.062 19.000 0.035 0.000 1.179 523 A HN 0.758 nan 8.150 nan 0.000 0.504 524 A N 2.142 124.965 122.820 0.006 0.000 2.310 524 A HA 0.495 4.816 4.320 0.000 0.000 0.260 524 A C 0.600 178.186 177.584 0.003 0.000 1.112 524 A CA -0.275 51.764 52.037 0.002 0.000 0.804 524 A CB 0.155 19.155 19.000 0.000 0.000 1.081 524 A HN 0.858 nan 8.150 nan 0.000 0.499 525 K N 0.352 120.753 120.400 0.002 0.000 2.322 525 K HA 0.471 4.791 4.320 0.000 0.000 0.283 525 K C 0.287 176.888 176.600 0.002 0.000 1.042 525 K CA 0.000 56.289 56.287 0.003 0.000 0.958 525 K CB 0.598 33.098 32.500 0.001 0.000 0.984 525 K HN 0.769 nan 8.250 nan 0.000 0.473 526 A N 0.000 122.822 122.820 0.003 0.000 2.254 526 A HA 0.000 4.320 4.320 0.000 0.000 0.244 526 A CA 0.000 52.038 52.037 0.002 0.000 0.836 526 A CB 0.000 19.001 19.000 0.002 0.000 0.831 526 A HN 0.000 nan 8.150 nan 0.000 0.486