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 1hb7_1_H DATA FIRST_RESID 13 DATA SEQUENCE AALRNQQAMA ANLQARQIVL QQSYPVIQQV ETQTFDPANR SVFDVTPANV DATA SEQUENCE GIVKGFLVKV TAAITNNHAT EAVALTDFGP ANLVQRVIYY DPDNQRHTET DATA SEQUENCE SGWHLHFVNT AKQGAPFLSS MVTDSPIKYG DVMNVIDAPA TIAAGATGEL DATA SEQUENCE TMYYWVPLAY SETDLTGAVL ANVPQSKQRL KLEFANNNTA FAAVGANPLE DATA SEQUENCE AIYQGAGAAD CEFEEISYTV YQSYLDQLPV GQNGYILPLI DLSTLYNLEN DATA SEQUENCE SAQAGLTPNV DFVVQYANLY RYLSTIAVFD NGGSFNAGTD INYLSQRTAN DATA SEQUENCE FSDTRKLDPK TWAAQTRRRI ATDFPKGVYY CDNRDKPIYT LQYGNVGFVV DATA SEQUENCE NPKTVNQNAR LLMGYEYFTS RTE 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 13 A HA 0.000 nan 4.320 nan 0.000 0.244 13 A C 0.000 177.588 177.584 0.007 0.000 1.274 13 A CA 0.000 52.041 52.037 0.006 0.000 0.836 13 A CB 0.000 19.004 19.000 0.006 0.000 0.831 14 A N -0.335 122.489 122.820 0.008 0.000 4.029 14 A HA -0.068 4.252 4.320 0.000 0.000 0.268 14 A C 2.200 179.787 177.584 0.005 0.000 0.943 14 A CA 3.039 55.081 52.037 0.008 0.000 1.137 14 A CB -2.310 16.696 19.000 0.009 0.000 1.074 14 A HN 2.547 nan 8.150 nan 0.000 0.854 15 L N -2.133 119.092 121.223 0.004 0.000 2.341 15 L HA 0.552 4.892 4.340 0.000 0.000 0.214 15 L C 2.811 179.682 176.870 0.002 0.000 1.115 15 L CA 2.439 57.280 54.840 0.002 0.000 0.820 15 L CB -2.438 39.622 42.059 0.003 0.000 0.944 15 L HN 1.496 nan 8.230 nan 0.000 0.452 16 R N 0.439 120.941 120.500 0.003 0.000 2.092 16 R HA -0.149 4.191 4.340 0.000 0.000 0.231 16 R C 2.033 178.334 176.300 0.000 0.000 1.119 16 R CA 1.618 57.719 56.100 0.002 0.000 0.970 16 R CB -1.592 28.710 30.300 0.004 0.000 0.864 16 R HN 0.853 nan 8.270 nan 0.000 0.440 17 N N 0.092 118.792 118.700 0.000 0.000 2.300 17 N HA -0.151 4.589 4.740 0.000 0.000 0.179 17 N C 1.927 177.432 175.510 -0.007 0.000 1.016 17 N CA 1.415 54.463 53.050 -0.004 0.000 0.876 17 N CB -0.119 38.367 38.487 -0.002 0.000 0.979 17 N HN 0.698 nan 8.380 nan 0.000 0.432 18 Q N 1.062 120.859 119.800 -0.005 0.000 2.167 18 Q HA -0.097 4.243 4.340 0.000 0.000 0.202 18 Q C 1.750 177.746 176.000 -0.007 0.000 0.970 18 Q CA 1.181 56.980 55.803 -0.007 0.000 0.855 18 Q CB 0.204 28.940 28.738 -0.004 0.000 0.911 18 Q HN 0.428 nan 8.270 nan 0.000 0.438 19 Q N -0.623 119.174 119.800 -0.005 0.000 2.096 19 Q HA -0.050 4.290 4.340 0.000 0.000 0.197 19 Q C 2.146 178.142 176.000 -0.006 0.000 0.964 19 Q CA 0.979 56.780 55.803 -0.004 0.000 0.838 19 Q CB -0.113 28.624 28.738 -0.001 0.000 0.906 19 Q HN 0.436 nan 8.270 nan 0.000 0.444 20 A N 1.247 124.063 122.820 -0.007 0.000 1.940 20 A HA -0.200 4.120 4.320 0.000 0.000 0.219 20 A C 2.119 179.693 177.584 -0.016 0.000 1.176 20 A CA 1.344 53.375 52.037 -0.009 0.000 0.631 20 A CB -0.441 18.553 19.000 -0.009 0.000 0.814 20 A HN 0.248 nan 8.150 nan 0.000 0.446 21 M N -0.703 118.886 119.600 -0.019 0.000 2.086 21 M HA -0.152 4.327 4.480 0.000 0.000 0.261 21 M C 2.577 178.863 176.300 -0.023 0.000 1.067 21 M CA 1.725 57.009 55.300 -0.027 0.000 1.116 21 M CB -1.198 31.386 32.600 -0.027 0.000 1.348 21 M HN 0.504 nan 8.290 nan 0.000 0.407 22 A N 0.096 122.907 122.820 -0.016 0.000 1.930 22 A HA 0.039 4.359 4.320 0.000 0.000 0.217 22 A C 2.389 179.967 177.584 -0.010 0.000 1.175 22 A CA 1.871 53.901 52.037 -0.012 0.000 0.627 22 A CB -0.788 18.207 19.000 -0.008 0.000 0.815 22 A HN 0.491 nan 8.150 nan 0.000 0.443 23 A N 0.299 123.114 122.820 -0.008 0.000 1.898 23 A HA -0.199 4.121 4.320 0.000 0.000 0.216 23 A C 2.084 179.664 177.584 -0.007 0.000 1.181 23 A CA 1.662 53.697 52.037 -0.005 0.000 0.620 23 A CB -0.699 18.300 19.000 -0.002 0.000 0.819 23 A HN 0.672 nan 8.150 nan 0.000 0.442 24 N N -0.053 118.639 118.700 -0.014 0.000 2.084 24 N HA -0.165 4.575 4.740 0.000 0.000 0.190 24 N C 1.802 177.298 175.510 -0.022 0.000 1.030 24 N CA 1.817 54.855 53.050 -0.021 0.000 0.849 24 N CB -0.240 38.227 38.487 -0.033 0.000 1.012 24 N HN 0.337 nan 8.380 nan 0.000 0.423 25 L N 1.961 123.170 121.223 -0.024 0.000 2.046 25 L HA -0.123 4.217 4.340 0.000 0.000 0.208 25 L C 2.626 179.488 176.870 -0.014 0.000 1.077 25 L CA 1.620 56.447 54.840 -0.022 0.000 0.747 25 L CB -0.995 41.051 42.059 -0.022 0.000 0.896 25 L HN 0.279 nan 8.230 nan 0.000 0.432 26 Q N -0.790 119.004 119.800 -0.010 0.000 2.050 26 Q HA -0.225 4.115 4.340 0.000 0.000 0.202 26 Q C 2.124 178.123 176.000 -0.003 0.000 0.980 26 Q CA 1.961 57.761 55.803 -0.005 0.000 0.840 26 Q CB -0.210 28.527 28.738 -0.002 0.000 0.898 26 Q HN 0.645 nan 8.270 nan 0.000 0.424 27 A N 1.198 124.017 122.820 -0.002 0.000 1.933 27 A HA -0.204 4.116 4.320 0.000 0.000 0.218 27 A C 2.112 179.694 177.584 -0.004 0.000 1.175 27 A CA 1.435 53.473 52.037 0.001 0.000 0.628 27 A CB -0.675 18.327 19.000 0.005 0.000 0.814 27 A HN 0.430 nan 8.150 nan 0.000 0.444 28 R N -0.191 120.303 120.500 -0.010 0.000 2.083 28 R HA -0.218 4.122 4.340 0.000 0.000 0.237 28 R C 2.284 178.578 176.300 -0.009 0.000 1.137 28 R CA 2.043 58.135 56.100 -0.012 0.000 0.951 28 R CB -0.377 29.913 30.300 -0.017 0.000 0.851 28 R HN 0.714 nan 8.270 nan 0.000 0.434 29 Q N 0.127 119.922 119.800 -0.008 0.000 2.084 29 Q HA -0.155 4.185 4.340 0.000 0.000 0.202 29 Q C 2.274 178.272 176.000 -0.005 0.000 0.978 29 Q CA 1.799 57.598 55.803 -0.006 0.000 0.844 29 Q CB -0.146 28.589 28.738 -0.005 0.000 0.898 29 Q HN 0.447 nan 8.270 nan 0.000 0.426 30 I N 0.068 120.637 120.570 -0.002 0.000 2.179 30 I HA -0.260 3.910 4.170 0.000 0.000 0.242 30 I C 2.259 178.375 176.117 -0.002 0.000 1.088 30 I CA 0.840 62.141 61.300 0.001 0.000 1.357 30 I CB -0.332 37.672 38.000 0.008 0.000 1.051 30 I HN 0.046 nan 8.210 nan 0.000 0.409 31 V N 1.207 121.117 119.914 -0.007 0.000 2.287 31 V HA -0.286 3.834 4.120 0.000 0.000 0.248 31 V C 2.409 178.494 176.094 -0.015 0.000 1.053 31 V CA 1.832 64.122 62.300 -0.016 0.000 1.027 31 V CB -0.459 31.350 31.823 -0.024 0.000 0.646 31 V HN 0.366 nan 8.190 nan 0.000 0.447 32 L N -0.735 120.480 121.223 -0.013 0.000 2.083 32 L HA -0.183 4.157 4.340 0.000 0.000 0.209 32 L C 2.731 179.593 176.870 -0.014 0.000 1.083 32 L CA 1.300 56.131 54.840 -0.014 0.000 0.752 32 L CB -0.581 41.471 42.059 -0.012 0.000 0.899 32 L HN 0.334 nan 8.230 nan 0.000 0.433 33 Q N -0.447 119.347 119.800 -0.010 0.000 2.123 33 Q HA -0.135 4.205 4.340 0.000 0.000 0.199 33 Q C 2.248 178.244 176.000 -0.007 0.000 0.966 33 Q CA 1.171 56.969 55.803 -0.008 0.000 0.845 33 Q CB -0.025 28.710 28.738 -0.005 0.000 0.907 33 Q HN 0.519 nan 8.270 nan 0.000 0.439 34 Q N 0.312 120.110 119.800 -0.004 0.000 2.204 34 Q HA 0.040 4.380 4.340 0.000 0.000 0.198 34 Q C 1.184 177.182 176.000 -0.002 0.000 0.946 34 Q CA 0.339 56.142 55.803 0.001 0.000 0.859 34 Q CB 0.043 28.787 28.738 0.009 0.000 0.946 34 Q HN 0.294 nan 8.270 nan 0.000 0.474 35 S N -1.025 114.669 115.700 -0.011 0.000 2.608 35 S HA 0.405 4.875 4.470 0.000 0.000 0.261 35 S C -0.019 174.569 174.600 -0.020 0.000 1.314 35 S CA -0.384 57.807 58.200 -0.014 0.000 0.992 35 S CB 0.084 63.271 63.200 -0.022 0.000 0.935 35 S HN 0.311 nan 8.310 nan 0.000 0.564 36 Y N -0.232 120.053 120.300 -0.025 0.000 2.328 36 Y HA 0.730 5.280 4.550 0.000 0.000 0.336 36 Y C -2.856 172.993 175.900 -0.086 0.000 0.960 36 Y CA -3.247 54.827 58.100 -0.044 0.000 1.134 36 Y CB 0.982 39.422 38.460 -0.033 0.000 1.166 36 Y HN 0.831 nan 8.280 nan 0.000 0.464 37 P HA 0.450 nan 4.420 nan 0.000 0.276 37 P C -0.843 176.325 177.300 -0.220 0.000 1.230 37 P CA 0.247 63.258 63.100 -0.148 0.000 0.776 37 P CB 2.169 33.808 31.700 -0.102 0.000 0.888 38 V N 5.008 124.684 119.914 -0.396 0.000 2.760 38 V HA 0.453 4.573 4.120 0.000 0.000 0.309 38 V C 0.069 175.921 176.094 -0.403 0.000 1.077 38 V CA -0.756 61.262 62.300 -0.469 0.000 0.910 38 V CB 2.429 33.765 31.823 -0.812 0.000 1.008 38 V HN 0.523 nan 8.190 nan 0.000 0.424 39 I N 3.550 124.030 120.570 -0.151 0.000 2.418 39 I HA 0.629 4.799 4.170 0.000 0.000 0.287 39 I C -0.698 175.510 176.117 0.151 0.000 1.008 39 I CA -0.023 61.293 61.300 0.027 0.000 1.104 39 I CB 1.457 39.478 38.000 0.035 0.000 1.264 39 I HN 0.836 nan 8.210 nan 0.000 0.438 40 Q N 6.450 126.431 119.800 0.302 0.000 2.359 40 Q HA 0.311 4.651 4.340 0.000 0.000 0.274 40 Q C -1.376 174.842 176.000 0.363 0.000 1.074 40 Q CA -0.773 55.237 55.803 0.345 0.000 0.810 40 Q CB 2.210 31.152 28.738 0.340 0.000 1.342 40 Q HN 0.734 nan 8.270 nan 0.000 0.427 41 Q N 1.895 121.843 119.800 0.247 0.000 2.337 41 Q HA 0.162 4.502 4.340 0.000 0.000 0.270 41 Q C 0.137 176.139 176.000 0.002 0.000 1.002 41 Q CA 0.161 55.892 55.803 -0.119 0.000 0.888 41 Q CB 0.963 29.548 28.738 -0.255 0.000 1.222 41 Q HN 0.641 nan 8.270 nan 0.000 0.400 42 V N 0.063 119.975 119.914 -0.004 0.000 3.572 42 V HA 0.415 4.535 4.120 0.000 0.000 0.260 42 V C 0.113 176.223 176.094 0.028 0.000 1.324 42 V CA 0.484 62.818 62.300 0.057 0.000 1.068 42 V CB 0.332 32.234 31.823 0.132 0.000 0.837 42 V HN 0.840 nan 8.190 nan 0.000 0.450 43 E N -0.572 119.625 120.200 -0.005 0.000 2.400 43 E HA 0.539 4.889 4.350 0.000 0.000 0.285 43 E C -1.643 174.908 176.600 -0.081 0.000 1.005 43 E CA -0.310 56.089 56.400 -0.002 0.000 0.816 43 E CB 2.256 32.015 29.700 0.098 0.000 1.220 43 E HN 0.231 nan 8.360 nan 0.000 0.426 44 T N 2.992 117.431 114.554 -0.192 0.000 2.952 44 T HA 0.468 4.818 4.350 0.000 0.000 0.305 44 T C -1.251 173.159 174.700 -0.484 0.000 1.064 44 T CA -0.691 61.194 62.100 -0.359 0.000 1.008 44 T CB 1.702 70.434 68.868 -0.226 0.000 1.078 44 T HN 0.385 nan 8.240 nan 0.000 0.459 45 Q N 0.926 120.233 119.800 -0.822 0.000 2.377 45 Q HA 0.538 4.878 4.340 0.000 0.000 0.279 45 Q C -1.377 174.356 176.000 -0.446 0.000 1.049 45 Q CA -0.796 54.648 55.803 -0.598 0.000 0.825 45 Q CB 2.832 31.167 28.738 -0.672 0.000 1.401 45 Q HN 0.580 nan 8.270 nan 0.000 0.404 46 T N 2.628 117.070 114.554 -0.187 0.000 2.824 46 T HA 0.763 5.113 4.350 0.000 0.000 0.282 46 T C -1.028 173.689 174.700 0.028 0.000 0.993 46 T CA -0.427 61.587 62.100 -0.144 0.000 0.967 46 T CB 0.377 69.167 68.868 -0.131 0.000 0.960 46 T HN 0.448 nan 8.240 nan 0.000 0.441 47 F N -0.048 119.816 119.950 -0.142 0.000 2.685 47 F HA 0.746 5.273 4.527 0.000 0.000 0.315 47 F C -1.384 174.400 175.800 -0.027 0.000 1.126 47 F CA -1.340 56.641 58.000 -0.032 0.000 0.950 47 F CB 1.210 40.268 39.000 0.097 0.000 1.360 47 F HN 0.294 nan 8.300 nan 0.000 0.469 48 D N 1.901 122.411 120.400 0.183 0.000 2.329 48 D HA 0.428 5.068 4.640 0.000 0.000 0.232 48 D C -2.092 174.363 176.300 0.258 0.000 1.088 48 D CA -2.585 51.469 54.000 0.091 0.000 0.835 48 D CB 2.069 42.932 40.800 0.105 0.000 1.078 48 D HN 0.218 nan 8.370 nan 0.000 0.495 49 P HA -0.101 nan 4.420 nan 0.000 0.220 49 P C 0.896 178.327 177.300 0.219 0.000 1.144 49 P CA 1.062 64.312 63.100 0.250 0.000 0.800 49 P CB 0.278 31.983 31.700 0.008 0.000 0.772 50 A N -0.628 122.305 122.820 0.189 0.000 2.015 50 A HA -0.182 4.138 4.320 0.000 0.000 0.219 50 A C 2.063 179.720 177.584 0.122 0.000 1.163 50 A CA 1.592 53.721 52.037 0.153 0.000 0.646 50 A CB -0.924 18.157 19.000 0.134 0.000 0.806 50 A HN 0.157 nan 8.150 nan 0.000 0.448 51 N N -0.372 118.409 118.700 0.135 0.000 2.305 51 N HA 0.040 4.780 4.740 0.000 0.000 0.179 51 N C 0.573 176.119 175.510 0.060 0.000 1.019 51 N CA 1.046 54.152 53.050 0.095 0.000 0.869 51 N CB 0.077 38.626 38.487 0.103 0.000 1.000 51 N HN 0.774 nan 8.380 nan 0.000 0.431 52 R N -1.342 119.217 120.500 0.098 0.000 2.634 52 R HA 0.436 4.776 4.340 0.000 0.000 0.263 52 R C -0.541 175.765 176.300 0.011 0.000 1.060 52 R CA -0.517 55.555 56.100 -0.046 0.000 0.898 52 R CB 0.889 31.044 30.300 -0.242 0.000 1.253 52 R HN -0.042 nan 8.270 nan 0.000 0.461 53 S N -0.453 115.206 115.700 -0.067 0.000 2.744 53 S HA 0.186 4.656 4.470 0.000 0.000 0.265 53 S C -0.119 174.558 174.600 0.129 0.000 1.065 53 S CA -0.166 58.110 58.200 0.126 0.000 1.191 53 S CB 0.786 64.110 63.200 0.207 0.000 1.150 53 S HN 0.242 nan 8.310 nan 0.000 0.646 54 V N 2.986 122.793 119.914 -0.179 0.000 2.398 54 V HA 0.660 4.780 4.120 0.000 0.000 0.286 54 V C -1.204 174.621 176.094 -0.449 0.000 1.026 54 V CA -0.427 61.780 62.300 -0.155 0.000 0.868 54 V CB 0.801 32.533 31.823 -0.151 0.000 0.982 54 V HN 0.398 nan 8.190 nan 0.000 0.443 55 F N 1.638 121.518 119.950 -0.116 0.000 2.563 55 F HA 0.539 5.066 4.527 0.000 0.000 0.316 55 F C 0.115 175.835 175.800 -0.133 0.000 1.076 55 F CA -0.862 57.069 58.000 -0.115 0.000 0.921 55 F CB 2.077 41.018 39.000 -0.098 0.000 1.209 55 F HN 0.394 nan 8.300 nan 0.000 0.462 56 D N 2.418 122.848 120.400 0.050 0.000 2.471 56 D HA 0.381 5.021 4.640 0.000 0.000 0.245 56 D C -1.017 175.292 176.300 0.015 0.000 1.116 56 D CA -0.108 53.883 54.000 -0.015 0.000 0.853 56 D CB 2.544 43.312 40.800 -0.054 0.000 1.123 56 D HN 0.107 nan 8.370 nan 0.000 0.540 57 V N 2.180 122.076 119.914 -0.029 0.000 2.439 57 V HA 0.258 4.378 4.120 0.000 0.000 0.282 57 V C 0.604 176.670 176.094 -0.046 0.000 1.039 57 V CA -0.251 62.041 62.300 -0.015 0.000 0.913 57 V CB 1.739 33.528 31.823 -0.056 0.000 0.983 57 V HN 0.461 nan 8.190 nan 0.000 0.460 58 T N 7.219 121.769 114.554 -0.007 0.000 2.853 58 T HA 0.372 4.722 4.350 0.000 0.000 0.317 58 T C -2.130 172.586 174.700 0.025 0.000 1.059 58 T CA -0.773 61.322 62.100 -0.007 0.000 0.954 58 T CB 1.042 69.909 68.868 -0.002 0.000 0.994 58 T HN 0.571 nan 8.240 nan 0.000 0.479 59 P HA 0.459 nan 4.420 nan 0.000 0.275 59 P C -0.535 176.822 177.300 0.094 0.000 1.266 59 P CA -0.651 62.533 63.100 0.139 0.000 0.793 59 P CB 0.685 32.581 31.700 0.327 0.000 1.074 60 A N 1.000 123.864 122.820 0.074 0.000 2.371 60 A HA 0.172 4.492 4.320 0.000 0.000 0.257 60 A C 0.297 177.853 177.584 -0.047 0.000 1.089 60 A CA -0.488 51.544 52.037 -0.009 0.000 0.794 60 A CB -0.699 18.264 19.000 -0.061 0.000 1.029 60 A HN 0.588 nan 8.150 nan 0.000 0.488 61 N N 0.863 119.531 118.700 -0.053 0.000 3.083 61 N HA 0.397 5.137 4.740 0.000 0.000 0.260 61 N C -1.372 174.077 175.510 -0.102 0.000 1.163 61 N CA -0.174 52.845 53.050 -0.051 0.000 1.060 61 N CB 0.648 39.127 38.487 -0.014 0.000 1.345 61 N HN 0.345 nan 8.380 nan 0.000 0.515 62 V N 0.958 120.742 119.914 -0.218 0.000 2.483 62 V HA 0.559 4.679 4.120 0.000 0.000 0.297 62 V C 1.007 176.975 176.094 -0.210 0.000 1.027 62 V CA -0.641 61.502 62.300 -0.262 0.000 0.855 62 V CB 1.051 32.582 31.823 -0.486 0.000 0.995 62 V HN 0.733 nan 8.190 nan 0.000 0.424 63 G N 5.287 114.047 108.800 -0.067 0.000 2.602 63 G HA2 -0.276 3.684 3.960 0.000 0.000 0.306 63 G HA3 -0.276 3.684 3.960 0.000 0.000 0.306 63 G C -0.080 174.809 174.900 -0.018 0.000 1.301 63 G CA 0.504 45.588 45.100 -0.026 0.000 0.974 63 G HN 0.787 nan 8.290 nan 0.000 0.547 64 I N 0.768 121.349 120.570 0.018 0.000 2.304 64 I HA 0.368 4.538 4.170 0.000 0.000 0.291 64 I C 0.401 176.552 176.117 0.056 0.000 1.018 64 I CA -0.687 60.624 61.300 0.019 0.000 1.260 64 I CB 1.545 39.546 38.000 0.001 0.000 1.390 64 I HN 0.295 nan 8.210 nan 0.000 0.475 65 V N 7.612 127.533 119.914 0.012 0.000 2.461 65 V HA 0.149 4.269 4.120 0.000 0.000 0.275 65 V C 0.879 176.922 176.094 -0.084 0.000 1.047 65 V CA -0.218 62.056 62.300 -0.042 0.000 0.955 65 V CB 1.142 32.902 31.823 -0.105 0.000 0.988 65 V HN 0.747 nan 8.190 nan 0.000 0.471 66 K N 2.917 123.272 120.400 -0.074 0.000 2.276 66 K HA 0.471 4.791 4.320 0.000 0.000 0.198 66 K C 0.824 177.357 176.600 -0.112 0.000 1.052 66 K CA 0.716 57.002 56.287 -0.002 0.000 0.984 66 K CB 0.600 33.182 32.500 0.136 0.000 0.836 66 K HN 0.921 nan 8.250 nan 0.000 0.490 67 G N -0.170 108.348 108.800 -0.469 0.000 2.317 67 G HA2 0.361 4.321 3.960 0.000 0.000 0.293 67 G HA3 0.361 4.321 3.960 0.000 0.000 0.293 67 G C -1.959 172.093 174.900 -1.413 0.000 1.287 67 G CA -1.041 43.439 45.100 -1.033 0.000 0.850 67 G HN -0.013 nan 8.290 nan 0.000 0.515 68 F N -0.482 118.865 119.950 -1.004 0.000 2.547 68 F HA 0.658 5.185 4.527 0.000 0.000 0.316 68 F C -0.246 175.423 175.800 -0.218 0.000 1.121 68 F CA -0.808 56.953 58.000 -0.399 0.000 0.911 68 F CB 2.348 41.215 39.000 -0.222 0.000 1.179 68 F HN 0.421 nan 8.300 nan 0.000 0.443 69 L N 4.488 125.975 121.223 0.439 0.000 2.272 69 L HA 0.715 5.055 4.340 0.000 0.000 0.289 69 L C -1.043 176.168 176.870 0.568 0.000 1.032 69 L CA -0.501 54.734 54.840 0.658 0.000 0.810 69 L CB 1.099 43.580 42.059 0.702 0.000 1.205 69 L HN 0.401 nan 8.230 nan 0.000 0.422 70 V N 5.693 125.904 119.914 0.495 0.000 2.357 70 V HA 0.393 4.513 4.120 0.000 0.000 0.284 70 V C 0.062 176.334 176.094 0.296 0.000 1.018 70 V CA -0.803 61.725 62.300 0.380 0.000 0.841 70 V CB 1.154 33.137 31.823 0.266 0.000 0.991 70 V HN 0.718 nan 8.190 nan 0.000 0.437 71 K N 4.298 124.791 120.400 0.156 0.000 2.201 71 K HA 0.691 5.011 4.320 0.000 0.000 0.278 71 K C -1.336 175.243 176.600 -0.035 0.000 1.027 71 K CA -0.364 55.749 56.287 -0.290 0.000 0.909 71 K CB 1.533 33.898 32.500 -0.224 0.000 1.062 71 K HN 0.502 nan 8.250 nan 0.000 0.465 72 V N 3.502 123.373 119.914 -0.071 0.000 2.531 72 V HA 0.358 4.478 4.120 0.000 0.000 0.301 72 V C -0.297 175.810 176.094 0.021 0.000 1.034 72 V CA -0.841 61.520 62.300 0.103 0.000 0.865 72 V CB 1.629 33.639 31.823 0.312 0.000 0.995 72 V HN 1.013 nan 8.190 nan 0.000 0.424 73 T N 1.264 115.821 114.554 0.004 0.000 2.924 73 T HA 0.971 5.321 4.350 0.000 0.000 0.291 73 T C -0.489 174.215 174.700 0.006 0.000 1.045 73 T CA -0.470 61.636 62.100 0.011 0.000 1.015 73 T CB 2.343 71.207 68.868 -0.006 0.000 1.103 73 T HN 1.431 nan 8.240 nan 0.000 0.496 74 A N 0.483 123.344 122.820 0.068 0.000 2.612 74 A HA 0.909 5.229 4.320 0.000 0.000 0.293 74 A C -1.063 176.606 177.584 0.141 0.000 1.075 74 A CA -0.756 51.353 52.037 0.120 0.000 0.680 74 A CB 1.185 20.371 19.000 0.309 0.000 1.279 74 A HN 1.722 nan 8.150 nan 0.000 0.411 75 A N 1.115 124.024 122.820 0.149 0.000 2.330 75 A HA 0.773 5.093 4.320 0.000 0.000 0.313 75 A C -0.909 176.741 177.584 0.110 0.000 1.124 75 A CA -0.269 51.824 52.037 0.094 0.000 0.774 75 A CB 0.406 19.433 19.000 0.045 0.000 1.198 75 A HN 0.765 nan 8.150 nan 0.000 0.465 76 I N 1.952 122.533 120.570 0.018 0.000 2.436 76 I HA 0.374 4.544 4.170 0.000 0.000 0.289 76 I C -0.279 175.740 176.117 -0.163 0.000 1.010 76 I CA -0.244 60.995 61.300 -0.103 0.000 1.098 76 I CB 2.569 40.473 38.000 -0.159 0.000 1.266 76 I HN 0.560 nan 8.210 nan 0.000 0.434 77 T N 4.236 118.680 114.554 -0.184 0.000 2.797 77 T HA 0.241 4.591 4.350 0.000 0.000 0.279 77 T C -0.181 174.360 174.700 -0.265 0.000 0.991 77 T CA -0.559 61.432 62.100 -0.181 0.000 0.979 77 T CB 1.003 69.805 68.868 -0.110 0.000 0.943 77 T HN 0.410 nan 8.240 nan 0.000 0.444 78 N N 2.909 121.461 118.700 -0.245 0.000 2.500 78 N HA 0.138 4.878 4.740 0.000 0.000 0.236 78 N C 0.413 175.838 175.510 -0.142 0.000 1.022 78 N CA -0.453 52.449 53.050 -0.247 0.000 0.935 78 N CB 0.254 38.605 38.487 -0.228 0.000 1.147 78 N HN 0.395 nan 8.380 nan 0.000 0.512 79 N N 1.423 120.046 118.700 -0.130 0.000 2.461 79 N HA -0.085 4.655 4.740 0.000 0.000 0.188 79 N C -0.160 175.316 175.510 -0.057 0.000 1.134 79 N CA 0.085 53.083 53.050 -0.086 0.000 0.878 79 N CB -0.149 38.285 38.487 -0.089 0.000 0.972 79 N HN 0.647 nan 8.380 nan 0.000 0.456 80 H N 0.462 119.464 119.070 -0.114 0.000 2.897 80 H HA 0.159 4.715 4.556 0.000 0.000 0.347 80 H C 1.286 176.574 175.328 -0.065 0.000 1.068 80 H CA 0.325 56.323 56.048 -0.084 0.000 1.426 80 H CB 1.028 30.738 29.762 -0.085 0.000 1.410 80 H HN 0.102 nan 8.280 nan 0.000 0.597 81 A N 2.753 125.390 122.820 -0.306 0.000 1.930 81 A HA -0.139 4.181 4.320 0.000 0.000 0.217 81 A C 1.978 179.581 177.584 0.031 0.000 1.175 81 A CA 2.115 54.075 52.037 -0.128 0.000 0.627 81 A CB -0.474 18.416 19.000 -0.184 0.000 0.815 81 A HN 0.872 nan 8.150 nan 0.000 0.443 82 T N -4.825 109.872 114.554 0.238 0.000 3.010 82 T HA 0.194 4.544 4.350 0.000 0.000 0.253 82 T C 0.294 175.075 174.700 0.136 0.000 0.939 82 T CA -0.223 61.984 62.100 0.177 0.000 0.910 82 T CB 0.114 69.059 68.868 0.128 0.000 1.226 82 T HN 0.215 nan 8.240 nan 0.000 0.508 83 E N 1.686 121.966 120.200 0.134 0.000 2.242 83 E HA 0.731 5.081 4.350 0.000 0.000 0.275 83 E C -0.274 176.242 176.600 -0.140 0.000 1.002 83 E CA -0.461 55.848 56.400 -0.152 0.000 0.841 83 E CB 1.951 31.388 29.700 -0.437 0.000 1.109 83 E HN 0.528 nan 8.360 nan 0.000 0.394 84 A N 1.621 124.379 122.820 -0.103 0.000 2.247 84 A HA 0.687 5.007 4.320 0.000 0.000 0.313 84 A C -0.114 177.420 177.584 -0.083 0.000 1.109 84 A CA -0.543 51.445 52.037 -0.081 0.000 0.890 84 A CB 0.761 19.736 19.000 -0.043 0.000 1.239 84 A HN 0.400 nan 8.150 nan 0.000 0.506 85 V N -4.028 115.853 119.914 -0.054 0.000 3.078 85 V HA 0.943 5.063 4.120 0.000 0.000 0.311 85 V C -0.240 175.940 176.094 0.145 0.000 1.138 85 V CA -0.323 61.994 62.300 0.027 0.000 1.007 85 V CB 1.108 32.944 31.823 0.022 0.000 1.045 85 V HN 1.893 nan 8.190 nan 0.000 0.432 86 A N 2.609 125.569 122.820 0.233 0.000 2.413 86 A HA 0.862 5.182 4.320 0.000 0.000 0.307 86 A C -0.582 177.127 177.584 0.208 0.000 1.087 86 A CA -0.986 51.197 52.037 0.245 0.000 0.750 86 A CB 1.492 20.554 19.000 0.103 0.000 1.296 86 A HN 1.089 nan 8.150 nan 0.000 0.423 87 L N 1.826 123.061 121.223 0.020 0.000 2.514 87 L HA 0.164 4.504 4.340 0.000 0.000 0.280 87 L C 1.504 178.278 176.870 -0.161 0.000 1.223 87 L CA 0.072 54.720 54.840 -0.319 0.000 0.864 87 L CB 0.557 42.464 42.059 -0.254 0.000 1.118 87 L HN 1.005 nan 8.230 nan 0.000 0.494 88 T N -1.952 112.482 114.554 -0.200 0.000 2.770 88 T HA 0.079 4.429 4.350 0.000 0.000 0.281 88 T C 0.748 175.373 174.700 -0.125 0.000 0.981 88 T CA -0.759 61.244 62.100 -0.162 0.000 0.955 88 T CB 0.750 69.490 68.868 -0.214 0.000 1.060 88 T HN 0.506 nan 8.240 nan 0.000 0.531 89 D N -0.265 120.036 120.400 -0.165 0.000 2.178 89 D HA -0.004 4.636 4.640 0.000 0.000 0.201 89 D C 1.538 178.003 176.300 0.274 0.000 0.980 89 D CA 1.034 55.031 54.000 -0.005 0.000 0.842 89 D CB -0.225 40.523 40.800 -0.085 0.000 0.948 89 D HN 0.467 nan 8.370 nan 0.000 0.472 90 F N 0.187 120.080 119.950 -0.095 0.000 2.473 90 F HA 0.243 4.770 4.527 0.000 0.000 0.294 90 F C 2.188 177.946 175.800 -0.071 0.000 1.103 90 F CA 0.452 58.433 58.000 -0.032 0.000 1.442 90 F CB -0.945 38.012 39.000 -0.072 0.000 1.097 90 F HN -0.021 nan 8.300 nan 0.000 0.547 91 G N 2.622 111.454 108.800 0.053 0.000 2.672 91 G HA2 -0.339 3.621 3.960 0.000 0.000 0.324 91 G HA3 -0.339 3.621 3.960 0.000 0.000 0.324 91 G C -1.120 173.760 174.900 -0.033 0.000 1.286 91 G CA 0.554 45.602 45.100 -0.087 0.000 1.004 91 G HN 0.209 nan 8.290 nan 0.000 0.548 92 P HA 0.021 nan 4.420 nan 0.000 0.225 92 P C 1.653 178.959 177.300 0.011 0.000 1.148 92 P CA 2.405 65.514 63.100 0.015 0.000 0.779 92 P CB -0.394 31.307 31.700 0.001 0.000 0.780 93 A N 0.090 122.874 122.820 -0.061 0.000 2.121 93 A HA -0.106 4.214 4.320 0.000 0.000 0.218 93 A C 1.862 179.570 177.584 0.207 0.000 1.154 93 A CA 1.057 53.047 52.037 -0.078 0.000 0.679 93 A CB -1.015 17.820 19.000 -0.275 0.000 0.795 93 A HN 0.128 nan 8.150 nan 0.000 0.458 94 N N -0.327 118.498 118.700 0.207 0.000 2.314 94 N HA 0.175 4.915 4.740 0.000 0.000 0.200 94 N C 1.097 176.745 175.510 0.230 0.000 1.135 94 N CA 0.091 53.287 53.050 0.242 0.000 0.835 94 N CB 0.045 38.662 38.487 0.216 0.000 0.989 94 N HN 0.479 nan 8.380 nan 0.000 0.478 95 L N -0.282 121.110 121.223 0.282 0.000 2.141 95 L HA -0.018 4.322 4.340 0.000 0.000 0.209 95 L C 0.350 177.397 176.870 0.295 0.000 1.094 95 L CA 0.826 55.862 54.840 0.327 0.000 0.763 95 L CB 0.175 42.449 42.059 0.359 0.000 0.908 95 L HN -0.112 nan 8.230 nan 0.000 0.437 96 V N 0.046 120.057 119.914 0.161 0.000 2.370 96 V HA 0.117 4.237 4.120 0.000 0.000 0.283 96 V C 0.558 176.547 176.094 -0.175 0.000 1.023 96 V CA -0.516 61.639 62.300 -0.241 0.000 0.857 96 V CB 1.655 33.020 31.823 -0.763 0.000 0.985 96 V HN 0.188 nan 8.190 nan 0.000 0.443 97 Q N 3.508 123.219 119.800 -0.149 0.000 2.089 97 Q HA 0.208 4.548 4.340 0.000 0.000 0.195 97 Q C 0.552 176.452 176.000 -0.166 0.000 0.963 97 Q CA 1.047 56.807 55.803 -0.072 0.000 0.834 97 Q CB 0.418 29.150 28.738 -0.009 0.000 0.906 97 Q HN 0.588 nan 8.270 nan 0.000 0.452 98 R N -0.559 119.795 120.500 -0.243 0.000 2.668 98 R HA 0.582 4.922 4.340 0.000 0.000 0.272 98 R C -1.430 174.675 176.300 -0.325 0.000 1.019 98 R CA -0.438 55.509 56.100 -0.256 0.000 0.894 98 R CB 2.496 32.699 30.300 -0.162 0.000 1.228 98 R HN -0.158 nan 8.270 nan 0.000 0.460 99 V N 3.623 123.350 119.914 -0.313 0.000 2.588 99 V HA 0.598 4.718 4.120 0.000 0.000 0.304 99 V C -0.861 175.094 176.094 -0.231 0.000 1.042 99 V CA -0.777 61.333 62.300 -0.317 0.000 0.877 99 V CB 1.941 33.543 31.823 -0.370 0.000 0.996 99 V HN 0.538 nan 8.190 nan 0.000 0.425 100 I N 4.656 125.108 120.570 -0.196 0.000 2.569 100 I HA 0.486 4.656 4.170 0.000 0.000 0.290 100 I C -1.138 174.875 176.117 -0.173 0.000 1.088 100 I CA -0.514 60.675 61.300 -0.184 0.000 1.047 100 I CB 2.005 39.929 38.000 -0.126 0.000 1.237 100 I HN 0.649 nan 8.210 nan 0.000 0.421 101 Y N 5.999 126.077 120.300 -0.370 0.000 2.429 101 Y HA 0.718 5.268 4.550 0.000 0.000 0.342 101 Y C -1.735 173.899 175.900 -0.443 0.000 1.004 101 Y CA -0.879 57.029 58.100 -0.320 0.000 1.075 101 Y CB 1.397 39.699 38.460 -0.265 0.000 1.214 101 Y HN 0.471 nan 8.280 nan 0.000 0.455 102 Y N 4.146 123.881 120.300 -0.942 0.000 2.391 102 Y HA 0.296 4.846 4.550 0.000 0.000 0.341 102 Y C -0.264 175.052 175.900 -0.973 0.000 0.965 102 Y CA -1.132 56.595 58.100 -0.621 0.000 1.067 102 Y CB 1.303 39.567 38.460 -0.326 0.000 1.199 102 Y HN 0.720 nan 8.280 nan 0.000 0.450 103 D N 2.474 122.695 120.400 -0.299 0.000 2.433 103 D HA 0.240 4.880 4.640 0.000 0.000 0.255 103 D C -2.191 174.097 176.300 -0.021 0.000 1.226 103 D CA -2.194 51.738 54.000 -0.113 0.000 1.015 103 D CB 0.309 41.218 40.800 0.182 0.000 1.091 103 D HN 0.163 nan 8.370 nan 0.000 0.527 104 P HA -0.084 nan 4.420 nan 0.000 0.219 104 P C 0.122 177.441 177.300 0.031 0.000 1.146 104 P CA 1.103 64.219 63.100 0.026 0.000 0.808 104 P CB 0.082 31.808 31.700 0.043 0.000 0.779 105 D N -1.893 118.543 120.400 0.061 0.000 2.328 105 D HA 0.019 4.659 4.640 0.000 0.000 0.226 105 D C 0.333 176.670 176.300 0.061 0.000 1.066 105 D CA 0.189 54.225 54.000 0.059 0.000 0.861 105 D CB -1.028 39.819 40.800 0.077 0.000 0.912 105 D HN 0.209 nan 8.370 nan 0.000 0.521 106 N N 0.365 119.101 118.700 0.060 0.000 2.782 106 N HA -0.245 4.495 4.740 0.000 0.000 0.251 106 N C -0.224 175.404 175.510 0.197 0.000 1.101 106 N CA 0.075 53.171 53.050 0.076 0.000 0.764 106 N CB -0.413 38.072 38.487 -0.004 0.000 1.122 106 N HN 0.135 nan 8.380 nan 0.000 0.561 107 Q N 1.613 121.531 119.800 0.197 0.000 2.261 107 Q HA 0.268 4.608 4.340 0.000 0.000 0.252 107 Q C -0.241 175.892 176.000 0.220 0.000 0.915 107 Q CA -0.279 55.640 55.803 0.194 0.000 0.915 107 Q CB 0.903 29.723 28.738 0.138 0.000 1.204 107 Q HN 0.260 nan 8.270 nan 0.000 0.421 108 R N 3.724 124.278 120.500 0.089 0.000 2.438 108 R HA 0.193 4.533 4.340 0.000 0.000 0.287 108 R C -0.106 176.167 176.300 -0.044 0.000 1.077 108 R CA 0.063 56.042 56.100 -0.201 0.000 1.034 108 R CB 0.415 30.557 30.300 -0.263 0.000 0.993 108 R HN 0.876 nan 8.270 nan 0.000 0.459 109 H N 1.032 120.018 119.070 -0.140 0.000 4.873 109 H HA 0.148 4.704 4.556 0.000 0.000 0.150 109 H C 0.037 175.261 175.328 -0.173 0.000 1.395 109 H CA -0.460 55.545 56.048 -0.071 0.000 0.838 109 H CB 0.136 29.942 29.762 0.073 0.000 1.471 109 H HN 0.442 nan 8.280 nan 0.000 0.374 110 T N 1.791 116.322 114.554 -0.039 0.000 2.928 110 T HA 0.011 4.361 4.350 0.000 0.000 0.305 110 T C 0.249 174.857 174.700 -0.154 0.000 1.035 110 T CA 0.603 62.603 62.100 -0.167 0.000 1.145 110 T CB 0.244 68.974 68.868 -0.229 0.000 0.963 110 T HN 0.368 nan 8.240 nan 0.000 0.545 111 E N 2.397 122.516 120.200 -0.135 0.000 2.649 111 E HA 0.335 4.685 4.350 0.000 0.000 0.310 111 E C -0.997 175.548 176.600 -0.092 0.000 1.036 111 E CA -0.328 56.000 56.400 -0.120 0.000 0.772 111 E CB 1.099 30.748 29.700 -0.085 0.000 1.513 111 E HN 0.665 nan 8.360 nan 0.000 0.384 112 T N 0.469 114.937 114.554 -0.143 0.000 2.671 112 T HA 0.407 4.757 4.350 0.000 0.000 0.300 112 T C -0.894 173.648 174.700 -0.262 0.000 1.238 112 T CA -0.171 61.838 62.100 -0.153 0.000 1.020 112 T CB 1.210 70.050 68.868 -0.046 0.000 1.503 112 T HN 0.356 nan 8.240 nan 0.000 0.497 113 S N -0.067 115.391 115.700 -0.403 0.000 2.610 113 S HA 0.495 4.965 4.470 0.000 0.000 0.273 113 S C 1.603 175.893 174.600 -0.516 0.000 1.274 113 S CA 0.014 57.892 58.200 -0.537 0.000 1.023 113 S CB 0.930 63.516 63.200 -1.022 0.000 0.962 113 S HN 1.063 nan 8.310 nan 0.000 0.523 114 G N 1.298 109.870 108.800 -0.381 0.000 2.418 114 G HA2 -0.182 3.778 3.960 0.000 0.000 0.217 114 G HA3 -0.182 3.778 3.960 0.000 0.000 0.217 114 G C 1.316 176.177 174.900 -0.064 0.000 1.158 114 G CA 0.777 45.708 45.100 -0.281 0.000 0.771 114 G HN 0.960 nan 8.290 nan 0.000 0.545 115 W N 0.210 121.457 121.300 -0.088 0.000 2.363 115 W HA -0.055 4.605 4.660 0.000 0.000 0.296 115 W C 1.797 178.002 176.519 -0.522 0.000 1.212 115 W CA 0.877 57.977 57.345 -0.409 0.000 1.260 115 W CB -1.088 28.099 29.460 -0.455 0.000 1.131 115 W HN 0.425 nan 8.180 nan 0.000 0.530 116 H N 1.173 119.826 119.070 -0.695 0.000 2.326 116 H HA -0.178 4.378 4.556 0.000 0.000 0.301 116 H C 2.366 177.568 175.328 -0.209 0.000 1.081 116 H CA 1.767 57.556 56.048 -0.430 0.000 1.334 116 H CB -0.097 29.220 29.762 -0.741 0.000 1.385 116 H HN 0.104 nan 8.280 nan 0.000 0.504 117 L N 1.033 122.014 121.223 -0.403 0.000 2.042 117 L HA -0.207 4.133 4.340 0.000 0.000 0.210 117 L C 2.541 179.306 176.870 -0.175 0.000 1.076 117 L CA 2.428 57.069 54.840 -0.332 0.000 0.749 117 L CB -1.154 40.773 42.059 -0.219 0.000 0.893 117 L HN 0.371 nan 8.230 nan 0.000 0.432 118 H N -1.061 117.923 119.070 -0.143 0.000 2.353 118 H HA -0.183 4.373 4.556 0.000 0.000 0.300 118 H C 1.930 177.232 175.328 -0.043 0.000 1.090 118 H CA 2.225 58.186 56.048 -0.145 0.000 1.327 118 H CB -0.547 29.105 29.762 -0.182 0.000 1.383 118 H HN 0.469 nan 8.280 nan 0.000 0.508 119 F N -0.772 119.084 119.950 -0.157 0.000 2.216 119 F HA -0.155 4.372 4.527 0.000 0.000 0.300 119 F C 2.508 178.255 175.800 -0.089 0.000 1.085 119 F CA 0.537 58.496 58.000 -0.070 0.000 1.326 119 F CB -0.031 38.962 39.000 -0.011 0.000 1.027 119 F HN 0.083 nan 8.300 nan 0.000 0.497 120 V N 0.249 120.162 119.914 -0.001 0.000 2.453 120 V HA -0.282 3.838 4.120 0.000 0.000 0.247 120 V C 1.638 177.671 176.094 -0.101 0.000 1.048 120 V CA 1.952 64.230 62.300 -0.036 0.000 1.049 120 V CB -0.782 30.951 31.823 -0.150 0.000 0.672 120 V HN 0.378 nan 8.190 nan 0.000 0.457 121 N N -0.270 118.274 118.700 -0.260 0.000 2.104 121 N HA -0.183 4.557 4.740 0.000 0.000 0.190 121 N C 1.839 177.201 175.510 -0.247 0.000 1.024 121 N CA 1.787 54.552 53.050 -0.474 0.000 0.853 121 N CB -0.207 37.551 38.487 -1.215 0.000 1.008 121 N HN 0.411 nan 8.380 nan 0.000 0.424 122 T N 0.602 115.045 114.554 -0.184 0.000 2.708 122 T HA -0.102 4.248 4.350 0.000 0.000 0.266 122 T C 2.067 176.732 174.700 -0.059 0.000 1.037 122 T CA 1.218 63.285 62.100 -0.055 0.000 1.146 122 T CB -0.340 68.471 68.868 -0.095 0.000 0.865 122 T HN 0.332 nan 8.240 nan 0.000 0.435 123 A N 1.645 124.441 122.820 -0.041 0.000 1.908 123 A HA -0.157 4.163 4.320 0.000 0.000 0.218 123 A C 2.206 179.781 177.584 -0.015 0.000 1.181 123 A CA 1.696 53.675 52.037 -0.097 0.000 0.627 123 A CB -0.424 18.485 19.000 -0.151 0.000 0.818 123 A HN 0.477 nan 8.150 nan 0.000 0.445 124 K N -0.960 119.438 120.400 -0.004 0.000 2.296 124 K HA -0.084 4.236 4.320 0.000 0.000 0.200 124 K C 2.224 178.811 176.600 -0.021 0.000 1.048 124 K CA 1.139 57.416 56.287 -0.015 0.000 0.966 124 K CB -0.032 32.434 32.500 -0.057 0.000 0.754 124 K HN 0.695 nan 8.250 nan 0.000 0.466 125 Q N -0.048 119.757 119.800 0.007 0.000 2.212 125 Q HA -0.062 4.278 4.340 0.000 0.000 0.199 125 Q C 0.769 176.759 176.000 -0.016 0.000 0.950 125 Q CA 1.209 57.023 55.803 0.018 0.000 0.863 125 Q CB 0.381 29.181 28.738 0.104 0.000 0.944 125 Q HN 0.389 nan 8.270 nan 0.000 0.465 126 G N -0.519 108.264 108.800 -0.029 0.000 2.141 126 G HA2 -0.144 3.816 3.960 0.000 0.000 0.231 126 G HA3 -0.144 3.816 3.960 0.000 0.000 0.231 126 G C -0.059 174.800 174.900 -0.069 0.000 0.984 126 G CA 0.164 45.237 45.100 -0.044 0.000 0.660 126 G HN 0.832 nan 8.290 nan 0.000 0.525 127 A N -1.320 121.456 122.820 -0.074 0.000 2.567 127 A HA 0.785 5.105 4.320 0.000 0.000 0.291 127 A C -3.152 174.395 177.584 -0.061 0.000 1.048 127 A CA -0.693 51.292 52.037 -0.087 0.000 0.661 127 A CB 0.622 19.582 19.000 -0.066 0.000 1.288 127 A HN 0.170 nan 8.150 nan 0.000 0.424 128 P HA 0.125 nan 4.420 nan 0.000 0.258 128 P C -0.362 176.999 177.300 0.101 0.000 1.172 128 P CA 0.535 63.645 63.100 0.017 0.000 0.762 128 P CB -0.134 31.578 31.700 0.020 0.000 0.764 129 F N 5.802 125.747 119.950 -0.008 0.000 2.593 129 F HA -0.058 4.469 4.527 0.000 0.000 0.393 129 F C 1.142 176.960 175.800 0.031 0.000 1.037 129 F CA 0.344 58.351 58.000 0.012 0.000 1.195 129 F CB -0.462 38.566 39.000 0.046 0.000 1.034 129 F HN 0.271 nan 8.300 nan 0.000 0.552 130 L N 3.565 124.449 121.223 -0.565 0.000 3.839 130 L HA -0.321 4.019 4.340 0.000 0.000 0.416 130 L C 0.612 177.338 176.870 -0.241 0.000 1.195 130 L CA 0.553 55.070 54.840 -0.538 0.000 0.946 130 L CB -2.380 39.206 42.059 -0.789 0.000 1.891 130 L HN 0.720 nan 8.230 nan 0.000 0.963 131 S N -1.865 113.756 115.700 -0.131 0.000 2.632 131 S HA 0.533 5.003 4.470 0.000 0.000 0.267 131 S C 0.300 174.854 174.600 -0.078 0.000 1.276 131 S CA -0.059 58.100 58.200 -0.067 0.000 0.998 131 S CB 2.196 65.382 63.200 -0.024 0.000 0.953 131 S HN 0.270 nan 8.310 nan 0.000 0.547 132 S N 1.880 117.550 115.700 -0.050 0.000 2.438 132 S HA 0.454 4.924 4.470 0.000 0.000 0.316 132 S C -0.051 174.529 174.600 -0.034 0.000 1.084 132 S CA -1.015 57.158 58.200 -0.043 0.000 1.107 132 S CB -0.386 62.800 63.200 -0.024 0.000 0.981 132 S HN 0.783 nan 8.310 nan 0.000 0.466 133 M N 4.303 123.876 119.600 -0.046 0.000 2.242 133 M HA 0.562 5.042 4.480 0.000 0.000 0.344 133 M C -0.906 175.376 176.300 -0.030 0.000 1.140 133 M CA -0.442 54.833 55.300 -0.042 0.000 1.160 133 M CB 0.607 33.172 32.600 -0.058 0.000 1.491 133 M HN 0.248 nan 8.290 nan 0.000 0.459 134 V N 2.860 122.761 119.914 -0.022 0.000 2.439 134 V HA 0.585 4.705 4.120 0.000 0.000 0.282 134 V C 0.496 176.580 176.094 -0.017 0.000 1.039 134 V CA -0.138 62.156 62.300 -0.011 0.000 0.913 134 V CB 1.131 32.952 31.823 -0.004 0.000 0.983 134 V HN 1.110 nan 8.190 nan 0.000 0.460 135 T N -0.223 114.325 114.554 -0.010 0.000 2.804 135 T HA 0.352 4.702 4.350 0.000 0.000 0.290 135 T C 0.267 174.969 174.700 0.004 0.000 1.099 135 T CA -0.249 61.843 62.100 -0.015 0.000 1.011 135 T CB 1.892 70.737 68.868 -0.039 0.000 1.291 135 T HN 0.622 nan 8.240 nan 0.000 0.523 136 D N -0.158 120.243 120.400 0.002 0.000 2.328 136 D HA 0.079 4.719 4.640 0.000 0.000 0.226 136 D C 0.639 176.955 176.300 0.026 0.000 1.066 136 D CA -0.193 53.814 54.000 0.011 0.000 0.861 136 D CB -0.347 40.456 40.800 0.005 0.000 0.912 136 D HN 0.384 nan 8.370 nan 0.000 0.521 137 S N 1.810 117.534 115.700 0.041 0.000 2.525 137 S HA 0.090 4.560 4.470 0.000 0.000 0.285 137 S C -1.045 173.608 174.600 0.088 0.000 1.283 137 S CA -0.929 57.320 58.200 0.082 0.000 1.072 137 S CB 1.013 64.306 63.200 0.156 0.000 0.867 137 S HN 0.099 nan 8.310 nan 0.000 0.492 138 P HA 0.071 nan 4.420 nan 0.000 0.225 138 P C 0.136 177.453 177.300 0.029 0.000 1.156 138 P CA 0.310 63.433 63.100 0.039 0.000 0.787 138 P CB -0.030 31.685 31.700 0.025 0.000 0.802 139 I N 1.112 121.713 120.570 0.052 0.000 2.648 139 I HA -0.022 4.148 4.170 0.000 0.000 0.284 139 I C 1.361 177.426 176.117 -0.087 0.000 1.153 139 I CA 0.287 61.561 61.300 -0.044 0.000 1.426 139 I CB 0.195 38.164 38.000 -0.052 0.000 1.381 139 I HN -0.271 nan 8.210 nan 0.000 0.571 140 K N 6.509 126.802 120.400 -0.178 0.000 3.233 140 K HA 0.078 4.398 4.320 0.000 0.000 0.283 140 K C -0.722 175.784 176.600 -0.157 0.000 1.209 140 K CA 0.005 56.215 56.287 -0.129 0.000 1.197 140 K CB -0.546 31.897 32.500 -0.096 0.000 1.431 140 K HN 0.385 nan 8.250 nan 0.000 0.326 141 Y N 0.354 120.642 120.300 -0.020 0.000 2.281 141 Y HA 0.316 4.866 4.550 0.000 0.000 0.337 141 Y C 1.543 177.429 175.900 -0.023 0.000 1.304 141 Y CA 0.544 58.630 58.100 -0.025 0.000 1.465 141 Y CB 0.932 39.376 38.460 -0.028 0.000 1.350 141 Y HN 0.427 nan 8.280 nan 0.000 0.575 142 G N 0.159 109.052 108.800 0.156 0.000 2.302 142 G HA2 -0.052 3.908 3.960 0.000 0.000 0.264 142 G HA3 -0.052 3.908 3.960 0.000 0.000 0.264 142 G C -1.776 173.147 174.900 0.039 0.000 1.335 142 G CA -0.828 44.317 45.100 0.074 0.000 0.982 142 G HN 0.531 nan 8.290 nan 0.000 0.473 143 D N 0.573 120.987 120.400 0.022 0.000 2.517 143 D HA 0.454 5.094 4.640 0.000 0.000 0.220 143 D C 1.383 177.689 176.300 0.011 0.000 1.158 143 D CA 0.085 54.093 54.000 0.012 0.000 0.992 143 D CB 0.714 41.522 40.800 0.012 0.000 1.058 143 D HN 0.250 nan 8.370 nan 0.000 0.516 144 V N 2.845 122.764 119.914 0.008 0.000 2.685 144 V HA -0.027 4.093 4.120 0.000 0.000 0.244 144 V C 1.855 177.951 176.094 0.003 0.000 1.054 144 V CA 0.788 63.089 62.300 0.002 0.000 1.076 144 V CB -0.126 31.694 31.823 -0.005 0.000 0.725 144 V HN 0.558 nan 8.190 nan 0.000 0.467 145 M N -0.464 119.137 119.600 0.001 0.000 2.371 145 M HA 0.293 4.773 4.480 0.000 0.000 0.246 145 M C 0.361 176.674 176.300 0.022 0.000 1.103 145 M CA 0.070 55.373 55.300 0.006 0.000 1.010 145 M CB -0.589 32.006 32.600 -0.009 0.000 1.457 145 M HN 0.378 nan 8.290 nan 0.000 0.486 146 N N 1.193 119.905 118.700 0.020 0.000 2.699 146 N HA -0.142 4.598 4.740 0.000 0.000 0.256 146 N C 1.030 176.577 175.510 0.063 0.000 0.993 146 N CA 0.275 53.347 53.050 0.037 0.000 0.759 146 N CB -1.227 37.287 38.487 0.045 0.000 0.906 146 N HN 0.155 nan 8.380 nan 0.000 0.541 147 V N -0.221 119.713 119.914 0.034 0.000 2.287 147 V HA -0.113 4.007 4.120 0.000 0.000 0.248 147 V C 1.409 177.605 176.094 0.170 0.000 1.053 147 V CA 1.563 63.896 62.300 0.055 0.000 1.027 147 V CB 0.015 31.752 31.823 -0.143 0.000 0.646 147 V HN 0.409 nan 8.190 nan 0.000 0.447 148 I N 0.491 121.111 120.570 0.084 0.000 2.410 148 I HA 0.485 4.655 4.170 0.000 0.000 0.286 148 I C -1.130 175.023 176.117 0.061 0.000 1.009 148 I CA -0.299 61.060 61.300 0.098 0.000 1.111 148 I CB 1.726 39.766 38.000 0.067 0.000 1.262 148 I HN 0.230 nan 8.210 nan 0.000 0.443 149 D N 5.485 125.926 120.400 0.068 0.000 2.736 149 D HA 0.801 5.441 4.640 0.000 0.000 0.223 149 D C -1.590 174.753 176.300 0.073 0.000 1.231 149 D CA -0.320 53.717 54.000 0.062 0.000 0.818 149 D CB 2.323 43.161 40.800 0.065 0.000 1.587 149 D HN 0.674 nan 8.370 nan 0.000 0.463 150 A N 2.571 125.437 122.820 0.077 0.000 2.532 150 A HA 0.625 4.945 4.320 0.000 0.000 0.296 150 A C -2.821 174.842 177.584 0.131 0.000 1.058 150 A CA -1.152 50.955 52.037 0.116 0.000 0.729 150 A CB 1.401 20.452 19.000 0.086 0.000 1.285 150 A HN 0.434 nan 8.150 nan 0.000 0.396 151 P HA 0.312 nan 4.420 nan 0.000 0.268 151 P C 0.976 178.403 177.300 0.212 0.000 1.204 151 P CA 0.447 63.641 63.100 0.158 0.000 0.768 151 P CB 1.323 33.097 31.700 0.123 0.000 0.842 152 A N 3.507 126.409 122.820 0.136 0.000 1.978 152 A HA -0.026 4.294 4.320 0.000 0.000 0.220 152 A C 1.101 178.800 177.584 0.192 0.000 1.170 152 A CA 1.866 53.977 52.037 0.123 0.000 0.636 152 A CB -0.922 18.122 19.000 0.073 0.000 0.810 152 A HN 0.736 nan 8.150 nan 0.000 0.448 153 T N -3.717 110.945 114.554 0.179 0.000 2.883 153 T HA 0.679 5.029 4.350 0.000 0.000 0.301 153 T C -0.862 173.865 174.700 0.045 0.000 1.158 153 T CA -0.625 61.565 62.100 0.150 0.000 1.007 153 T CB 1.514 70.424 68.868 0.069 0.000 1.186 153 T HN 0.176 nan 8.240 nan 0.000 0.499 154 I N 1.698 122.220 120.570 -0.080 0.000 2.439 154 I HA 0.577 4.747 4.170 0.000 0.000 0.283 154 I C 0.661 176.700 176.117 -0.130 0.000 1.023 154 I CA -1.143 60.050 61.300 -0.179 0.000 1.100 154 I CB 1.466 39.220 38.000 -0.410 0.000 1.238 154 I HN 1.030 nan 8.210 nan 0.000 0.445 155 A N 4.661 127.432 122.820 -0.082 0.000 2.327 155 A HA 0.701 5.021 4.320 0.000 0.000 0.255 155 A C 0.624 178.168 177.584 -0.066 0.000 1.099 155 A CA -0.245 51.757 52.037 -0.059 0.000 0.801 155 A CB 0.395 19.373 19.000 -0.035 0.000 1.062 155 A HN 0.835 nan 8.150 nan 0.000 0.496 156 A N -0.365 122.432 122.820 -0.037 0.000 2.548 156 A HA 0.467 4.787 4.320 0.000 0.000 0.247 156 A C 1.599 179.165 177.584 -0.030 0.000 1.067 156 A CA 0.856 52.885 52.037 -0.014 0.000 0.757 156 A CB -1.088 17.930 19.000 0.029 0.000 0.996 156 A HN 2.735 nan 8.150 nan 0.000 0.504 157 G N 0.897 109.671 108.800 -0.044 0.000 2.199 157 G HA2 0.122 4.082 3.960 0.000 0.000 0.254 157 G HA3 0.122 4.082 3.960 0.000 0.000 0.254 157 G C 0.581 175.447 174.900 -0.058 0.000 0.982 157 G CA 0.591 45.661 45.100 -0.049 0.000 0.632 157 G HN 2.159 nan 8.290 nan 0.000 0.529 158 A N -0.490 122.288 122.820 -0.071 0.000 2.264 158 A HA 0.845 5.165 4.320 0.000 0.000 0.304 158 A C 0.277 177.803 177.584 -0.096 0.000 1.100 158 A CA 0.705 52.699 52.037 -0.072 0.000 0.839 158 A CB 1.026 19.986 19.000 -0.067 0.000 1.121 158 A HN 0.716 nan 8.150 nan 0.000 0.496 159 T N 0.513 115.021 114.554 -0.076 0.000 2.812 159 T HA 0.618 4.968 4.350 0.000 0.000 0.282 159 T C 0.168 174.830 174.700 -0.063 0.000 0.990 159 T CA 0.054 62.107 62.100 -0.079 0.000 0.960 159 T CB 1.554 70.393 68.868 -0.049 0.000 0.948 159 T HN 1.043 nan 8.240 nan 0.000 0.438 160 G N 1.851 110.604 108.800 -0.077 0.000 2.420 160 G HA2 0.647 4.607 3.960 0.000 0.000 0.331 160 G HA3 0.647 4.607 3.960 0.000 0.000 0.331 160 G C -0.948 173.966 174.900 0.023 0.000 1.168 160 G CA -0.603 44.480 45.100 -0.029 0.000 0.936 160 G HN 0.489 nan 8.290 nan 0.000 0.479 161 E N 0.966 121.197 120.200 0.052 0.000 2.171 161 E HA 0.444 4.794 4.350 0.000 0.000 0.271 161 E C -0.385 176.274 176.600 0.099 0.000 0.916 161 E CA -0.399 56.042 56.400 0.068 0.000 0.774 161 E CB 2.375 32.103 29.700 0.048 0.000 1.128 161 E HN 0.312 nan 8.360 nan 0.000 0.403 162 L N 1.017 122.311 121.223 0.118 0.000 2.341 162 L HA 0.666 5.006 4.340 0.000 0.000 0.267 162 L C -0.061 176.868 176.870 0.099 0.000 1.009 162 L CA -0.886 54.031 54.840 0.128 0.000 0.819 162 L CB 2.060 44.226 42.059 0.180 0.000 1.323 162 L HN 0.315 nan 8.230 nan 0.000 0.425 163 T N 2.212 116.819 114.554 0.089 0.000 2.921 163 T HA 0.671 5.021 4.350 0.000 0.000 0.297 163 T C -0.828 173.912 174.700 0.066 0.000 1.013 163 T CA -0.425 61.718 62.100 0.071 0.000 0.990 163 T CB 2.229 71.161 68.868 0.106 0.000 1.023 163 T HN 0.495 nan 8.240 nan 0.000 0.447 164 M N 3.048 122.651 119.600 0.005 0.000 2.484 164 M HA 0.689 5.169 4.480 0.000 0.000 0.289 164 M C -2.389 173.845 176.300 -0.112 0.000 1.206 164 M CA -0.737 54.543 55.300 -0.034 0.000 0.892 164 M CB 1.749 34.301 32.600 -0.080 0.000 1.712 164 M HN 0.629 nan 8.290 nan 0.000 0.462 165 Y N 2.566 122.820 120.300 -0.076 0.000 2.477 165 Y HA 0.694 5.244 4.550 0.000 0.000 0.347 165 Y C -1.573 174.359 175.900 0.054 0.000 0.981 165 Y CA -0.350 57.815 58.100 0.109 0.000 1.033 165 Y CB 2.083 40.663 38.460 0.199 0.000 1.245 165 Y HN 0.619 nan 8.280 nan 0.000 0.455 166 Y N 1.331 121.917 120.300 0.477 0.000 2.477 166 Y HA 0.268 4.818 4.550 0.000 0.000 0.347 166 Y C -0.943 175.181 175.900 0.373 0.000 0.981 166 Y CA -1.506 56.779 58.100 0.308 0.000 1.033 166 Y CB 1.957 40.476 38.460 0.098 0.000 1.245 166 Y HN 0.645 nan 8.280 nan 0.000 0.455 167 W N 5.187 126.585 121.300 0.164 0.000 2.329 167 W HA 0.653 5.313 4.660 0.000 0.000 0.312 167 W C -1.833 174.713 176.519 0.044 0.000 1.054 167 W CA -1.002 56.426 57.345 0.138 0.000 1.245 167 W CB 1.400 30.905 29.460 0.075 0.000 1.255 167 W HN 0.302 nan 8.180 nan 0.000 0.436 168 V N 9.454 129.072 119.914 -0.494 0.000 2.334 168 V HA 0.181 4.301 4.120 0.000 0.000 0.267 168 V C -1.592 174.009 176.094 -0.822 0.000 1.040 168 V CA -1.576 60.443 62.300 -0.467 0.000 0.866 168 V CB 0.905 32.574 31.823 -0.256 0.000 1.019 168 V HN 0.365 nan 8.190 nan 0.000 0.468 169 P HA 0.372 nan 4.420 nan 0.000 0.284 169 P C 0.069 177.244 177.300 -0.208 0.000 1.253 169 P CA -0.278 62.634 63.100 -0.314 0.000 0.800 169 P CB 2.445 34.263 31.700 0.197 0.000 0.961 170 L N 1.480 122.636 121.223 -0.112 0.000 2.590 170 L HA 0.317 4.657 4.340 0.000 0.000 0.181 170 L C 1.387 178.393 176.870 0.228 0.000 1.134 170 L CA 0.121 54.919 54.840 -0.070 0.000 0.850 170 L CB -0.833 41.065 42.059 -0.268 0.000 1.172 170 L HN 0.325 nan 8.230 nan 0.000 0.498 171 A N -0.935 121.998 122.820 0.188 0.000 2.407 171 A HA -0.010 4.310 4.320 0.000 0.000 0.248 171 A C 0.544 178.320 177.584 0.319 0.000 1.082 171 A CA -0.003 52.171 52.037 0.228 0.000 0.785 171 A CB -0.012 19.080 19.000 0.153 0.000 1.020 171 A HN 0.360 nan 8.150 nan 0.000 0.489 172 Y N 2.221 122.543 120.300 0.037 0.000 2.181 172 Y HA -0.030 4.520 4.550 0.000 0.000 0.288 172 Y C 1.227 177.113 175.900 -0.023 0.000 1.146 172 Y CA 1.739 59.688 58.100 -0.251 0.000 1.164 172 Y CB 0.016 38.333 38.460 -0.238 0.000 0.982 172 Y HN 0.875 nan 8.280 nan 0.000 0.515 173 S N -2.468 113.230 115.700 -0.004 0.000 2.727 173 S HA 0.264 4.734 4.470 0.000 0.000 0.278 173 S C 0.307 174.910 174.600 0.004 0.000 1.186 173 S CA -0.647 57.505 58.200 -0.080 0.000 0.836 173 S CB 1.097 64.223 63.200 -0.123 0.000 1.186 173 S HN 0.078 nan 8.310 nan 0.000 0.499 174 E N 1.109 121.283 120.200 -0.045 0.000 2.274 174 E HA -0.006 4.344 4.350 0.000 0.000 0.194 174 E C 1.683 178.276 176.600 -0.011 0.000 0.996 174 E CA 1.826 58.203 56.400 -0.037 0.000 0.840 174 E CB -0.324 29.325 29.700 -0.085 0.000 0.772 174 E HN 0.849 nan 8.360 nan 0.000 0.491 175 T N -2.472 112.083 114.554 0.003 0.000 2.985 175 T HA 0.057 4.407 4.350 0.000 0.000 0.254 175 T C 0.422 175.143 174.700 0.035 0.000 1.021 175 T CA -0.312 61.796 62.100 0.013 0.000 0.957 175 T CB 0.433 69.306 68.868 0.008 0.000 1.047 175 T HN -0.209 nan 8.240 nan 0.000 0.511 176 D N 1.221 121.664 120.400 0.071 0.000 2.461 176 D HA 0.307 4.947 4.640 0.000 0.000 0.240 176 D C 0.674 177.022 176.300 0.080 0.000 1.094 176 D CA -0.679 53.373 54.000 0.087 0.000 0.868 176 D CB 0.945 41.860 40.800 0.192 0.000 1.062 176 D HN 0.213 nan 8.370 nan 0.000 0.530 177 L N 2.439 123.680 121.223 0.030 0.000 2.627 177 L HA 0.071 4.411 4.340 0.000 0.000 0.233 177 L C 0.779 177.651 176.870 0.004 0.000 1.144 177 L CA 0.213 55.070 54.840 0.029 0.000 0.892 177 L CB -0.406 41.660 42.059 0.012 0.000 1.039 177 L HN 0.257 nan 8.230 nan 0.000 0.442 178 T N 0.789 115.309 114.554 -0.057 0.000 2.871 178 T HA 0.225 4.575 4.350 0.000 0.000 0.296 178 T C 1.248 175.929 174.700 -0.032 0.000 0.998 178 T CA 1.086 63.070 62.100 -0.193 0.000 1.162 178 T CB 0.865 69.391 68.868 -0.570 0.000 0.947 178 T HN 0.639 nan 8.240 nan 0.000 0.536 179 G N 2.128 110.940 108.800 0.021 0.000 2.234 179 G HA2 -0.097 3.863 3.960 0.000 0.000 0.235 179 G HA3 -0.097 3.863 3.960 0.000 0.000 0.235 179 G C 0.390 175.403 174.900 0.187 0.000 0.997 179 G CA -0.019 45.200 45.100 0.200 0.000 0.623 179 G HN 1.161 nan 8.290 nan 0.000 0.514 180 A N -0.408 122.477 122.820 0.109 0.000 2.429 180 A HA 0.611 4.931 4.320 0.000 0.000 0.242 180 A C 0.393 178.019 177.584 0.070 0.000 1.088 180 A CA 0.918 52.994 52.037 0.065 0.000 0.784 180 A CB 0.783 19.810 19.000 0.044 0.000 1.038 180 A HN 1.231 nan 8.150 nan 0.000 0.501 181 V N 1.899 121.832 119.914 0.032 0.000 2.487 181 V HA 0.300 4.420 4.120 0.000 0.000 0.298 181 V C -0.555 175.567 176.094 0.046 0.000 1.028 181 V CA -0.514 61.822 62.300 0.060 0.000 0.860 181 V CB 1.426 33.282 31.823 0.055 0.000 0.991 181 V HN 0.781 nan 8.190 nan 0.000 0.427 182 L N 5.454 126.710 121.223 0.054 0.000 2.295 182 L HA 0.663 5.003 4.340 0.000 0.000 0.288 182 L C 0.577 177.473 176.870 0.045 0.000 1.079 182 L CA 0.179 55.040 54.840 0.034 0.000 0.830 182 L CB 0.680 42.761 42.059 0.036 0.000 1.200 182 L HN 0.743 nan 8.230 nan 0.000 0.438 183 A N 4.826 127.663 122.820 0.028 0.000 2.937 183 A HA 0.417 4.737 4.320 0.000 0.000 0.338 183 A C 0.342 177.933 177.584 0.012 0.000 1.273 183 A CA -0.436 51.619 52.037 0.029 0.000 0.937 183 A CB -0.579 18.439 19.000 0.030 0.000 1.133 183 A HN 0.805 nan 8.150 nan 0.000 0.491 184 N N 0.490 119.209 118.700 0.032 0.000 2.193 184 N HA 0.007 4.747 4.740 0.000 0.000 0.210 184 N C -0.339 175.196 175.510 0.043 0.000 1.215 184 N CA 0.136 53.212 53.050 0.042 0.000 0.901 184 N CB -0.011 38.523 38.487 0.079 0.000 1.060 184 N HN 0.152 nan 8.380 nan 0.000 0.508 185 V N 3.205 123.142 119.914 0.038 0.000 2.400 185 V HA 0.183 4.303 4.120 0.000 0.000 0.263 185 V C -2.141 173.966 176.094 0.022 0.000 1.026 185 V CA -0.812 61.507 62.300 0.032 0.000 1.077 185 V CB -0.333 31.508 31.823 0.031 0.000 1.054 185 V HN 0.074 nan 8.190 nan 0.000 0.477 186 P HA 0.406 nan 4.420 nan 0.000 0.271 186 P C 0.589 177.894 177.300 0.009 0.000 1.220 186 P CA 1.189 64.297 63.100 0.013 0.000 0.768 186 P CB 0.717 32.426 31.700 0.014 0.000 0.848 187 Q N -0.222 119.580 119.800 0.004 0.000 2.376 187 Q HA -0.194 4.146 4.340 0.000 0.000 0.187 187 Q C 0.558 176.555 176.000 -0.004 0.000 0.603 187 Q CA 1.492 57.294 55.803 -0.001 0.000 1.346 187 Q CB -2.874 25.863 28.738 -0.000 0.000 1.243 187 Q HN 0.780 nan 8.270 nan 0.000 0.930 188 S N 0.973 116.673 115.700 -0.000 0.000 2.516 188 S HA 0.600 5.070 4.470 0.000 0.000 0.268 188 S C 0.079 174.676 174.600 -0.005 0.000 1.251 188 S CA 0.058 58.256 58.200 -0.004 0.000 1.153 188 S CB 0.148 63.352 63.200 0.006 0.000 1.009 188 S HN 0.958 nan 8.310 nan 0.000 0.479 189 K N 1.520 121.909 120.400 -0.018 0.000 2.154 189 K HA 0.515 4.835 4.320 0.000 0.000 0.264 189 K C -0.173 176.404 176.600 -0.039 0.000 1.008 189 K CA -0.603 55.672 56.287 -0.020 0.000 0.937 189 K CB 0.708 33.192 32.500 -0.027 0.000 1.002 189 K HN 0.591 nan 8.250 nan 0.000 0.469 190 Q N 0.764 120.547 119.800 -0.028 0.000 2.237 190 Q HA 0.310 4.650 4.340 0.000 0.000 0.219 190 Q C -0.645 175.276 176.000 -0.131 0.000 0.999 190 Q CA -0.833 54.915 55.803 -0.092 0.000 0.959 190 Q CB 1.104 29.871 28.738 0.047 0.000 1.173 190 Q HN 0.569 nan 8.270 nan 0.000 0.527 191 R N 0.572 120.921 120.500 -0.252 0.000 2.522 191 R HA 0.421 4.761 4.340 0.000 0.000 0.283 191 R C -2.195 173.975 176.300 -0.216 0.000 1.074 191 R CA -0.645 55.352 56.100 -0.171 0.000 0.925 191 R CB 1.002 31.235 30.300 -0.111 0.000 1.205 191 R HN 0.504 nan 8.270 nan 0.000 0.436 192 L N 4.178 125.287 121.223 -0.190 0.000 2.318 192 L HA 0.487 4.827 4.340 0.000 0.000 0.277 192 L C -1.001 175.758 176.870 -0.186 0.000 1.008 192 L CA -0.197 54.506 54.840 -0.229 0.000 0.846 192 L CB 1.225 43.004 42.059 -0.467 0.000 1.220 192 L HN 0.591 nan 8.230 nan 0.000 0.423 193 K N 5.439 125.754 120.400 -0.141 0.000 2.183 193 K HA 0.622 4.942 4.320 0.000 0.000 0.274 193 K C -1.523 174.942 176.600 -0.225 0.000 1.009 193 K CA -0.500 55.708 56.287 -0.132 0.000 0.888 193 K CB 0.743 33.209 32.500 -0.056 0.000 1.078 193 K HN 0.690 nan 8.250 nan 0.000 0.459 194 L N 4.270 125.336 121.223 -0.262 0.000 2.349 194 L HA 0.371 4.711 4.340 0.000 0.000 0.278 194 L C -0.584 176.050 176.870 -0.394 0.000 0.996 194 L CA -0.603 53.950 54.840 -0.479 0.000 0.825 194 L CB 1.919 43.536 42.059 -0.736 0.000 1.243 194 L HN 0.618 nan 8.230 nan 0.000 0.412 195 E N 3.684 123.642 120.200 -0.403 0.000 2.073 195 E HA 0.371 4.721 4.350 0.000 0.000 0.269 195 E C -1.026 175.417 176.600 -0.262 0.000 0.917 195 E CA -0.445 55.830 56.400 -0.208 0.000 0.757 195 E CB 1.282 30.901 29.700 -0.135 0.000 1.111 195 E HN 0.264 nan 8.360 nan 0.000 0.410 196 F N 1.301 121.255 119.950 0.006 0.000 2.375 196 F HA 0.361 4.888 4.527 0.000 0.000 0.313 196 F C 1.177 177.002 175.800 0.042 0.000 1.176 196 F CA -0.638 57.388 58.000 0.044 0.000 1.142 196 F CB 0.574 39.681 39.000 0.178 0.000 1.275 196 F HN 0.379 nan 8.300 nan 0.000 0.544 197 A N 1.532 124.506 122.820 0.258 0.000 2.386 197 A HA 0.446 4.766 4.320 0.000 0.000 0.246 197 A C -0.311 177.339 177.584 0.109 0.000 1.089 197 A CA -0.148 51.993 52.037 0.173 0.000 0.790 197 A CB -0.080 19.058 19.000 0.231 0.000 1.042 197 A HN 0.894 nan 8.150 nan 0.000 0.497 198 N N -1.070 117.738 118.700 0.180 0.000 3.316 198 N HA 0.217 4.957 4.740 0.000 0.000 0.300 198 N C -0.204 175.534 175.510 0.381 0.000 1.567 198 N CA -0.732 52.450 53.050 0.220 0.000 0.821 198 N CB 0.259 38.855 38.487 0.181 0.000 1.748 198 N HN 0.295 nan 8.380 nan 0.000 0.603 199 N N -0.534 118.414 118.700 0.414 0.000 2.520 199 N HA -0.029 4.711 4.740 0.000 0.000 0.185 199 N C -0.062 175.631 175.510 0.304 0.000 1.068 199 N CA 0.667 53.987 53.050 0.450 0.000 0.911 199 N CB -0.524 38.216 38.487 0.422 0.000 0.961 199 N HN 0.564 nan 8.380 nan 0.000 0.446 200 N N -0.863 117.957 118.700 0.200 0.000 2.356 200 N HA -0.021 4.719 4.740 0.000 0.000 0.178 200 N C 1.460 177.031 175.510 0.102 0.000 1.075 200 N CA 0.731 53.870 53.050 0.148 0.000 0.889 200 N CB 0.418 38.977 38.487 0.121 0.000 0.999 200 N HN 0.249 nan 8.380 nan 0.000 0.464 201 T N -3.111 111.487 114.554 0.072 0.000 3.000 201 T HA 0.316 4.666 4.350 0.000 0.000 0.248 201 T C 1.832 176.501 174.700 -0.051 0.000 1.034 201 T CA 0.113 62.237 62.100 0.041 0.000 1.060 201 T CB 0.097 69.009 68.868 0.073 0.000 0.983 201 T HN 0.035 nan 8.240 nan 0.000 0.482 202 A N 0.775 123.455 122.820 -0.233 0.000 2.119 202 A HA 0.430 4.750 4.320 0.000 0.000 0.216 202 A C 0.313 177.474 177.584 -0.706 0.000 1.152 202 A CA 0.115 51.807 52.037 -0.575 0.000 0.708 202 A CB -0.608 17.832 19.000 -0.935 0.000 0.805 202 A HN 0.601 nan 8.150 nan 0.000 0.460 203 F N -0.508 119.501 119.950 0.099 0.000 2.460 203 F HA 0.629 5.156 4.527 0.000 0.000 0.341 203 F C 0.268 176.102 175.800 0.056 0.000 1.130 203 F CA -0.793 57.249 58.000 0.069 0.000 0.962 203 F CB 1.657 40.677 39.000 0.033 0.000 1.171 203 F HN 0.066 nan 8.300 nan 0.000 0.436 204 A N 2.371 125.309 122.820 0.196 0.000 2.304 204 A HA 0.848 5.168 4.320 0.000 0.000 0.323 204 A C -0.098 177.544 177.584 0.096 0.000 1.195 204 A CA -0.557 51.548 52.037 0.114 0.000 0.826 204 A CB 0.655 19.691 19.000 0.059 0.000 1.184 204 A HN 0.897 nan 8.150 nan 0.000 0.496 205 A N 1.767 124.631 122.820 0.073 0.000 2.346 205 A HA 0.527 4.847 4.320 0.000 0.000 0.252 205 A C 0.431 178.032 177.584 0.028 0.000 1.089 205 A CA -0.302 51.761 52.037 0.045 0.000 0.797 205 A CB -0.027 18.997 19.000 0.040 0.000 1.047 205 A HN 1.176 nan 8.150 nan 0.000 0.494 206 V N 1.056 120.976 119.914 0.011 0.000 2.694 206 V HA 0.370 4.490 4.120 0.000 0.000 0.306 206 V C 1.714 177.812 176.094 0.007 0.000 1.054 206 V CA 1.818 64.121 62.300 0.005 0.000 1.161 206 V CB 0.047 31.866 31.823 -0.007 0.000 0.916 206 V HN 1.965 nan 8.190 nan 0.000 0.490 207 G N 3.214 112.017 108.800 0.006 0.000 2.253 207 G HA2 -0.156 3.804 3.960 0.000 0.000 0.251 207 G HA3 -0.156 3.804 3.960 0.000 0.000 0.251 207 G C 0.448 175.352 174.900 0.007 0.000 0.998 207 G CA 0.327 45.429 45.100 0.002 0.000 0.621 207 G HN 1.516 nan 8.290 nan 0.000 0.524 208 A N -0.141 122.689 122.820 0.017 0.000 2.287 208 A HA 0.641 4.961 4.320 0.000 0.000 0.273 208 A C 0.527 178.127 177.584 0.027 0.000 1.091 208 A CA 0.187 52.237 52.037 0.023 0.000 0.817 208 A CB 0.349 19.370 19.000 0.035 0.000 1.069 208 A HN 0.552 nan 8.150 nan 0.000 0.492 209 N N 1.068 119.787 118.700 0.033 0.000 2.452 209 N HA 0.141 4.881 4.740 0.000 0.000 0.266 209 N C -1.684 173.848 175.510 0.037 0.000 1.175 209 N CA -1.452 51.632 53.050 0.056 0.000 0.945 209 N CB 1.006 39.528 38.487 0.058 0.000 1.063 209 N HN 0.342 nan 8.380 nan 0.000 0.472 210 P HA -0.027 nan 4.420 nan 0.000 0.255 210 P C 1.580 178.711 177.300 -0.281 0.000 1.248 210 P CA -0.099 62.933 63.100 -0.113 0.000 0.807 210 P CB 0.490 32.103 31.700 -0.146 0.000 1.150 211 L N 1.663 122.727 121.223 -0.266 0.000 2.011 211 L HA -0.211 4.129 4.340 0.000 0.000 0.225 211 L C 1.818 178.494 176.870 -0.323 0.000 1.084 211 L CA 2.234 56.798 54.840 -0.461 0.000 0.791 211 L CB -0.917 41.090 42.059 -0.085 0.000 0.898 211 L HN -0.087 nan 8.230 nan 0.000 0.440 212 E N -0.137 120.027 120.200 -0.060 0.000 2.479 212 E HA 0.275 4.625 4.350 0.000 0.000 0.193 212 E C 0.733 177.362 176.600 0.047 0.000 1.049 212 E CA 0.578 57.028 56.400 0.084 0.000 0.870 212 E CB -0.097 29.683 29.700 0.134 0.000 0.944 212 E HN 0.579 nan 8.360 nan 0.000 0.492 213 A N 0.871 123.670 122.820 -0.034 0.000 2.271 213 A HA 0.486 4.806 4.320 0.000 0.000 0.288 213 A C 1.119 178.671 177.584 -0.052 0.000 1.094 213 A CA -0.432 51.581 52.037 -0.039 0.000 0.828 213 A CB 0.506 19.490 19.000 -0.027 0.000 1.091 213 A HN 0.044 nan 8.150 nan 0.000 0.493 214 I N -1.532 119.002 120.570 -0.060 0.000 3.039 214 I HA 0.115 4.285 4.170 0.000 0.000 0.270 214 I C -0.350 175.587 176.117 -0.300 0.000 1.150 214 I CA 0.670 61.899 61.300 -0.118 0.000 1.448 214 I CB -0.012 37.980 38.000 -0.014 0.000 1.197 214 I HN 0.586 nan 8.210 nan 0.000 0.450 215 Y N 0.400 120.745 120.300 0.075 0.000 2.499 215 Y HA 0.556 5.106 4.550 0.000 0.000 0.347 215 Y C -0.252 175.714 175.900 0.110 0.000 0.987 215 Y CA -0.721 57.448 58.100 0.116 0.000 1.044 215 Y CB 1.789 40.367 38.460 0.196 0.000 1.245 215 Y HN -0.058 nan 8.280 nan 0.000 0.461 216 Q N 1.521 121.445 119.800 0.207 0.000 2.359 216 Q HA 0.762 5.102 4.340 0.000 0.000 0.274 216 Q C -1.005 175.051 176.000 0.092 0.000 1.074 216 Q CA -0.630 55.246 55.803 0.122 0.000 0.810 216 Q CB 2.614 31.380 28.738 0.047 0.000 1.342 216 Q HN 0.963 nan 8.270 nan 0.000 0.427 217 G N 0.437 109.266 108.800 0.050 0.000 2.320 217 G HA2 0.373 4.333 3.960 0.000 0.000 0.297 217 G HA3 0.373 4.333 3.960 0.000 0.000 0.297 217 G C -0.374 174.495 174.900 -0.052 0.000 1.344 217 G CA -0.133 44.968 45.100 0.001 0.000 0.851 217 G HN 0.695 nan 8.290 nan 0.000 0.567 218 A N -0.884 121.875 122.820 -0.101 0.000 2.172 218 A HA 0.366 4.686 4.320 0.000 0.000 0.216 218 A C 2.158 179.521 177.584 -0.367 0.000 1.154 218 A CA 2.539 54.469 52.037 -0.177 0.000 0.701 218 A CB -0.374 18.526 19.000 -0.167 0.000 0.789 218 A HN 1.934 nan 8.150 nan 0.000 0.465 219 G N -1.714 106.875 108.800 -0.352 0.000 3.126 219 G HA2 0.338 4.298 3.960 0.000 0.000 0.224 219 G HA3 0.338 4.298 3.960 0.000 0.000 0.224 219 G C 1.304 176.102 174.900 -0.169 0.000 1.142 219 G CA 0.836 45.669 45.100 -0.445 0.000 0.759 219 G HN 0.581 nan 8.290 nan 0.000 0.550 220 A N 1.509 124.266 122.820 -0.105 0.000 1.927 220 A HA 0.063 4.383 4.320 0.000 0.000 0.220 220 A C 2.752 180.319 177.584 -0.029 0.000 1.185 220 A CA 2.330 54.345 52.037 -0.037 0.000 0.639 220 A CB -0.732 18.313 19.000 0.076 0.000 0.820 220 A HN 0.826 nan 8.150 nan 0.000 0.451 221 A N -0.743 122.091 122.820 0.024 0.000 2.024 221 A HA -0.145 4.175 4.320 0.000 0.000 0.220 221 A C 1.355 178.948 177.584 0.015 0.000 1.164 221 A CA 1.895 53.963 52.037 0.051 0.000 0.643 221 A CB -0.395 18.650 19.000 0.074 0.000 0.806 221 A HN 0.450 nan 8.150 nan 0.000 0.451 222 D N -1.466 118.933 120.400 -0.001 0.000 2.363 222 D HA 0.188 4.828 4.640 0.000 0.000 0.214 222 D C -0.160 176.023 176.300 -0.196 0.000 1.093 222 D CA -0.130 53.840 54.000 -0.050 0.000 0.837 222 D CB -0.208 40.598 40.800 0.010 0.000 0.948 222 D HN 0.311 nan 8.370 nan 0.000 0.507 223 C N 1.764 120.823 119.300 -0.401 0.000 2.539 223 C HA 0.558 5.018 4.460 0.000 0.000 0.392 223 C C 0.571 175.094 174.990 -0.778 0.000 1.269 223 C CA -0.545 57.987 59.018 -0.811 0.000 2.250 223 C CB 0.145 26.944 27.740 -1.568 0.000 2.584 223 C HN 0.384 nan 8.230 nan 0.000 0.589 224 E N 0.984 120.837 120.200 -0.579 0.000 2.390 224 E HA 0.484 4.834 4.350 0.000 0.000 0.280 224 E C -1.704 174.881 176.600 -0.025 0.000 0.992 224 E CA -0.662 55.664 56.400 -0.123 0.000 0.790 224 E CB 0.684 30.377 29.700 -0.011 0.000 1.248 224 E HN 0.425 nan 8.360 nan 0.000 0.447 225 F N 1.722 121.805 119.950 0.223 0.000 2.412 225 F HA 0.177 4.704 4.527 0.000 0.000 0.348 225 F C 1.615 177.441 175.800 0.044 0.000 1.102 225 F CA -0.182 57.906 58.000 0.146 0.000 1.196 225 F CB 1.198 40.268 39.000 0.117 0.000 1.144 225 F HN 0.541 nan 8.300 nan 0.000 0.541 226 E N 1.709 122.026 120.200 0.196 0.000 2.122 226 E HA -0.021 4.329 4.350 0.000 0.000 0.190 226 E C 0.007 176.642 176.600 0.059 0.000 0.977 226 E CA 0.755 57.209 56.400 0.090 0.000 0.820 226 E CB 0.086 29.811 29.700 0.042 0.000 0.770 226 E HN 0.824 nan 8.360 nan 0.000 0.462 227 E N -0.966 119.262 120.200 0.046 0.000 2.403 227 E HA 0.510 4.860 4.350 0.000 0.000 0.280 227 E C -1.079 175.361 176.600 -0.266 0.000 1.101 227 E CA -0.538 55.776 56.400 -0.143 0.000 0.856 227 E CB 0.878 30.496 29.700 -0.137 0.000 1.303 227 E HN -0.130 nan 8.360 nan 0.000 0.441 228 I N 0.890 121.049 120.570 -0.685 0.000 2.686 228 I HA 0.498 4.668 4.170 0.000 0.000 0.295 228 I C -0.992 174.653 176.117 -0.787 0.000 1.114 228 I CA -0.846 59.979 61.300 -0.791 0.000 1.038 228 I CB 2.389 39.634 38.000 -1.258 0.000 1.238 228 I HN 0.531 nan 8.210 nan 0.000 0.420 229 S N 3.810 119.263 115.700 -0.413 0.000 2.536 229 S HA 0.722 5.192 4.470 0.000 0.000 0.287 229 S C -1.480 173.037 174.600 -0.138 0.000 1.101 229 S CA -0.601 57.425 58.200 -0.290 0.000 0.950 229 S CB 1.970 65.050 63.200 -0.200 0.000 1.056 229 S HN 0.524 nan 8.310 nan 0.000 0.481 230 Y N -1.064 119.140 120.300 -0.160 0.000 2.553 230 Y HA 0.864 5.414 4.550 0.000 0.000 0.347 230 Y C -0.910 174.957 175.900 -0.055 0.000 1.019 230 Y CA -0.873 57.189 58.100 -0.063 0.000 1.032 230 Y CB 1.179 39.657 38.460 0.029 0.000 1.284 230 Y HN 0.426 nan 8.280 nan 0.000 0.466 231 T N 2.937 117.603 114.554 0.188 0.000 2.928 231 T HA 0.502 4.852 4.350 0.000 0.000 0.296 231 T C -1.452 173.342 174.700 0.156 0.000 1.000 231 T CA -0.650 61.478 62.100 0.047 0.000 0.989 231 T CB 1.423 70.258 68.868 -0.054 0.000 1.005 231 T HN 0.623 nan 8.240 nan 0.000 0.442 232 V N 4.277 124.264 119.914 0.121 0.000 2.370 232 V HA 0.451 4.571 4.120 0.000 0.000 0.279 232 V C -1.056 175.079 176.094 0.068 0.000 1.029 232 V CA -0.725 61.681 62.300 0.177 0.000 0.870 232 V CB 0.586 32.517 31.823 0.179 0.000 0.984 232 V HN 0.809 nan 8.190 nan 0.000 0.451 233 Y N 3.157 123.637 120.300 0.300 0.000 2.341 233 Y HA 0.494 5.044 4.550 0.000 0.000 0.337 233 Y C 0.330 176.409 175.900 0.298 0.000 1.014 233 Y CA -0.301 57.966 58.100 0.278 0.000 1.111 233 Y CB 1.686 40.306 38.460 0.266 0.000 1.194 233 Y HN 0.565 nan 8.280 nan 0.000 0.462 234 Q N 2.247 122.285 119.800 0.397 0.000 2.290 234 Q HA 0.443 4.783 4.340 0.000 0.000 0.259 234 Q C -0.923 175.206 176.000 0.214 0.000 0.941 234 Q CA -0.574 55.343 55.803 0.190 0.000 0.912 234 Q CB 1.357 30.237 28.738 0.236 0.000 1.244 234 Q HN 0.656 nan 8.270 nan 0.000 0.441 235 S N 4.210 119.944 115.700 0.056 0.000 2.437 235 S HA 0.647 5.117 4.470 0.000 0.000 0.305 235 S C -1.378 173.299 174.600 0.128 0.000 1.109 235 S CA -0.349 57.929 58.200 0.130 0.000 1.099 235 S CB 0.269 63.659 63.200 0.315 0.000 1.004 235 S HN 0.573 nan 8.310 nan 0.000 0.475 236 Y N 1.962 122.253 120.300 -0.015 0.000 2.705 236 Y HA 0.704 5.254 4.550 0.000 0.000 0.332 236 Y C -1.880 174.012 175.900 -0.014 0.000 1.221 236 Y CA -1.563 56.517 58.100 -0.034 0.000 1.059 236 Y CB 0.862 39.297 38.460 -0.043 0.000 1.298 236 Y HN 0.413 nan 8.280 nan 0.000 0.459 237 L N 2.425 123.744 121.223 0.160 0.000 2.313 237 L HA 0.468 4.808 4.340 0.000 0.000 0.283 237 L C -0.914 176.047 176.870 0.153 0.000 1.013 237 L CA -0.542 54.329 54.840 0.051 0.000 0.816 237 L CB 1.391 43.462 42.059 0.020 0.000 1.236 237 L HN 0.678 nan 8.230 nan 0.000 0.419 238 D N 1.631 122.083 120.400 0.087 0.000 2.494 238 D HA 0.235 4.875 4.640 0.000 0.000 0.259 238 D C -0.262 176.068 176.300 0.050 0.000 1.109 238 D CA 0.042 54.123 54.000 0.136 0.000 1.040 238 D CB 1.095 41.997 40.800 0.169 0.000 1.175 238 D HN 0.311 nan 8.370 nan 0.000 0.584 239 Q N -0.056 119.779 119.800 0.057 0.000 2.452 239 Q HA -0.179 4.161 4.340 0.000 0.000 0.318 239 Q C -0.541 175.467 176.000 0.014 0.000 1.386 239 Q CA 0.398 56.228 55.803 0.045 0.000 0.872 239 Q CB -1.940 26.820 28.738 0.038 0.000 1.151 239 Q HN 0.454 nan 8.270 nan 0.000 0.417 240 L N 1.997 123.191 121.223 -0.049 0.000 2.490 240 L HA 0.123 4.463 4.340 0.000 0.000 0.274 240 L C -1.048 175.809 176.870 -0.020 0.000 1.201 240 L CA -1.167 53.581 54.840 -0.152 0.000 0.869 240 L CB -0.188 41.566 42.059 -0.509 0.000 1.123 240 L HN 0.027 nan 8.230 nan 0.000 0.484 241 P HA 0.130 nan 4.420 nan 0.000 0.271 241 P C -0.831 176.585 177.300 0.194 0.000 1.216 241 P CA -0.169 62.982 63.100 0.085 0.000 0.771 241 P CB 1.335 33.061 31.700 0.044 0.000 0.864 242 V N 2.493 122.521 119.914 0.189 0.000 2.667 242 V HA 0.768 4.888 4.120 0.000 0.000 0.308 242 V C 0.904 177.052 176.094 0.091 0.000 1.048 242 V CA -0.227 62.182 62.300 0.182 0.000 0.928 242 V CB 1.684 33.575 31.823 0.113 0.000 1.004 242 V HN 0.890 nan 8.190 nan 0.000 0.444 243 G N 1.224 110.066 108.800 0.070 0.000 3.251 243 G HA2 0.552 4.512 3.960 0.000 0.000 0.248 243 G HA3 0.552 4.512 3.960 0.000 0.000 0.248 243 G C 0.572 175.485 174.900 0.022 0.000 1.320 243 G CA 0.458 45.583 45.100 0.042 0.000 0.982 243 G HN 0.730 nan 8.290 nan 0.000 0.575 244 Q N -1.864 117.946 119.800 0.016 0.000 2.084 244 Q HA -0.085 4.255 4.340 0.000 0.000 0.202 244 Q C 2.128 178.130 176.000 0.003 0.000 0.978 244 Q CA 2.420 58.227 55.803 0.007 0.000 0.844 244 Q CB -1.608 27.135 28.738 0.008 0.000 0.898 244 Q HN 1.297 nan 8.270 nan 0.000 0.426 245 N N -0.396 118.310 118.700 0.010 0.000 2.313 245 N HA 0.479 5.219 4.740 0.000 0.000 0.207 245 N C 1.291 176.803 175.510 0.004 0.000 1.141 245 N CA 0.973 54.027 53.050 0.007 0.000 0.830 245 N CB -0.191 38.305 38.487 0.016 0.000 1.008 245 N HN 1.447 nan 8.380 nan 0.000 0.481 246 G N -0.565 108.231 108.800 -0.006 0.000 2.484 246 G HA2 -0.187 3.773 3.960 0.000 0.000 0.225 246 G HA3 -0.187 3.773 3.960 0.000 0.000 0.225 246 G C -0.335 174.599 174.900 0.056 0.000 1.250 246 G CA -0.408 44.667 45.100 -0.041 0.000 0.926 246 G HN 0.573 nan 8.290 nan 0.000 0.581 247 Y N 0.611 120.919 120.300 0.013 0.000 2.729 247 Y HA 0.238 4.788 4.550 0.000 0.000 0.331 247 Y C 1.521 177.429 175.900 0.013 0.000 1.208 247 Y CA -0.169 57.940 58.100 0.015 0.000 1.521 247 Y CB 0.130 38.601 38.460 0.018 0.000 1.233 247 Y HN 0.313 nan 8.280 nan 0.000 0.539 248 I N 6.692 127.376 120.570 0.189 0.000 2.379 248 I HA 0.151 4.321 4.170 0.000 0.000 0.290 248 I C -0.550 175.597 176.117 0.050 0.000 1.063 248 I CA 0.202 61.556 61.300 0.090 0.000 1.351 248 I CB 0.201 38.239 38.000 0.063 0.000 1.410 248 I HN 0.379 nan 8.210 nan 0.000 0.505 249 L N 8.560 129.808 121.223 0.042 0.000 2.455 249 L HA 0.461 4.801 4.340 0.000 0.000 0.264 249 L C -2.518 174.358 176.870 0.011 0.000 0.968 249 L CA -1.823 53.026 54.840 0.015 0.000 0.827 249 L CB 2.527 44.600 42.059 0.023 0.000 1.317 249 L HN 0.354 nan 8.230 nan 0.000 0.407 250 P HA 0.161 nan 4.420 nan 0.000 0.273 250 P C 0.640 177.935 177.300 -0.008 0.000 1.428 250 P CA -0.205 62.889 63.100 -0.009 0.000 0.995 250 P CB 0.702 32.390 31.700 -0.020 0.000 1.286 251 L N 2.889 124.111 121.223 -0.002 0.000 2.131 251 L HA -0.144 4.196 4.340 0.000 0.000 0.210 251 L C 2.379 179.243 176.870 -0.010 0.000 1.092 251 L CA 1.266 56.107 54.840 0.002 0.000 0.759 251 L CB -0.568 41.496 42.059 0.008 0.000 0.903 251 L HN 0.282 nan 8.230 nan 0.000 0.435 252 I N -0.355 120.199 120.570 -0.028 0.000 2.286 252 I HA -0.218 3.952 4.170 0.000 0.000 0.245 252 I C 2.058 178.132 176.117 -0.072 0.000 1.104 252 I CA 0.965 62.235 61.300 -0.049 0.000 1.397 252 I CB -0.372 37.590 38.000 -0.064 0.000 1.072 252 I HN 0.194 nan 8.210 nan 0.000 0.417 253 D N 1.288 121.643 120.400 -0.074 0.000 2.092 253 D HA -0.158 4.482 4.640 0.000 0.000 0.193 253 D C 2.179 178.456 176.300 -0.039 0.000 0.994 253 D CA 1.421 55.370 54.000 -0.085 0.000 0.828 253 D CB -0.331 40.434 40.800 -0.058 0.000 0.963 253 D HN 0.266 nan 8.370 nan 0.000 0.450 254 L N 0.319 121.537 121.223 -0.008 0.000 2.551 254 L HA 0.000 4.340 4.340 0.000 0.000 0.228 254 L C 1.577 178.471 176.870 0.041 0.000 1.153 254 L CA 0.671 55.528 54.840 0.027 0.000 0.851 254 L CB -0.196 41.880 42.059 0.028 0.000 0.959 254 L HN 0.034 nan 8.230 nan 0.000 0.451 255 S N -3.093 112.615 115.700 0.015 0.000 2.593 255 S HA 0.167 4.637 4.470 0.000 0.000 0.236 255 S C 0.508 175.109 174.600 0.001 0.000 0.991 255 S CA -0.547 57.665 58.200 0.020 0.000 0.963 255 S CB 0.163 63.370 63.200 0.013 0.000 0.865 255 S HN 0.086 nan 8.310 nan 0.000 0.488 256 T N 2.824 117.367 114.554 -0.019 0.000 2.855 256 T HA 0.570 4.920 4.350 0.000 0.000 0.281 256 T C -0.570 174.126 174.700 -0.006 0.000 1.007 256 T CA -0.600 61.471 62.100 -0.049 0.000 1.009 256 T CB 1.344 70.109 68.868 -0.171 0.000 0.983 256 T HN 0.259 nan 8.240 nan 0.000 0.455 257 L N 3.253 124.471 121.223 -0.009 0.000 2.289 257 L HA 0.452 4.792 4.340 0.000 0.000 0.285 257 L C -0.926 176.026 176.870 0.136 0.000 1.049 257 L CA -1.044 53.767 54.840 -0.049 0.000 0.804 257 L CB 0.627 42.555 42.059 -0.217 0.000 1.195 257 L HN 0.624 nan 8.230 nan 0.000 0.428 258 Y N 4.527 124.873 120.300 0.076 0.000 2.402 258 Y HA 0.471 5.021 4.550 0.000 0.000 0.332 258 Y C -0.848 174.997 175.900 -0.091 0.000 0.960 258 Y CA -1.239 56.963 58.100 0.170 0.000 1.228 258 Y CB 0.582 39.272 38.460 0.383 0.000 1.120 258 Y HN 0.523 nan 8.280 nan 0.000 0.491 259 N N 5.895 124.165 118.700 -0.716 0.000 2.265 259 N HA 0.568 5.308 4.740 0.000 0.000 0.300 259 N C -1.527 173.471 175.510 -0.853 0.000 1.148 259 N CA -0.648 51.900 53.050 -0.837 0.000 0.772 259 N CB 2.377 40.347 38.487 -0.861 0.000 1.434 259 N HN 0.556 nan 8.380 nan 0.000 0.481 260 L N 0.585 121.510 121.223 -0.495 0.000 2.346 260 L HA 0.590 4.930 4.340 0.000 0.000 0.276 260 L C -0.005 176.859 176.870 -0.011 0.000 1.006 260 L CA -0.549 54.177 54.840 -0.191 0.000 0.817 260 L CB 1.701 43.615 42.059 -0.242 0.000 1.272 260 L HN 0.387 nan 8.230 nan 0.000 0.421 261 E N 2.449 122.784 120.200 0.224 0.000 2.413 261 E HA 0.381 4.731 4.350 0.000 0.000 0.277 261 E C -1.481 175.217 176.600 0.163 0.000 0.958 261 E CA -0.850 55.678 56.400 0.213 0.000 0.779 261 E CB 3.146 33.045 29.700 0.332 0.000 1.278 261 E HN 0.671 nan 8.360 nan 0.000 0.456 262 N N -0.049 118.680 118.700 0.049 0.000 2.405 262 N HA 0.535 5.275 4.740 0.000 0.000 0.285 262 N C -1.141 174.406 175.510 0.061 0.000 1.262 262 N CA -0.577 52.430 53.050 -0.072 0.000 0.773 262 N CB 2.012 40.340 38.487 -0.266 0.000 1.490 262 N HN 0.493 nan 8.380 nan 0.000 0.486 263 S N -1.378 114.366 115.700 0.073 0.000 2.656 263 S HA 0.887 5.357 4.470 0.000 0.000 0.273 263 S C -1.553 173.121 174.600 0.124 0.000 1.168 263 S CA -0.882 57.390 58.200 0.120 0.000 0.817 263 S CB 1.257 64.559 63.200 0.170 0.000 1.146 263 S HN 1.091 nan 8.310 nan 0.000 0.475 264 A N 1.002 123.899 122.820 0.128 0.000 2.414 264 A HA 0.824 5.144 4.320 0.000 0.000 0.306 264 A C -1.336 176.330 177.584 0.138 0.000 1.054 264 A CA -0.740 51.379 52.037 0.138 0.000 0.724 264 A CB 1.571 20.652 19.000 0.135 0.000 1.267 264 A HN 0.775 nan 8.150 nan 0.000 0.418 265 Q N 0.623 120.525 119.800 0.171 0.000 2.359 265 Q HA 0.788 5.128 4.340 0.000 0.000 0.274 265 Q C -0.671 175.474 176.000 0.240 0.000 1.074 265 Q CA -0.591 55.355 55.803 0.240 0.000 0.810 265 Q CB 2.033 30.971 28.738 0.333 0.000 1.342 265 Q HN 1.197 nan 8.270 nan 0.000 0.427 266 A N -0.342 122.618 122.820 0.234 0.000 2.486 266 A HA 0.932 5.252 4.320 0.000 0.000 0.289 266 A C 0.347 178.028 177.584 0.161 0.000 1.176 266 A CA -0.284 51.798 52.037 0.074 0.000 0.757 266 A CB 1.432 20.458 19.000 0.043 0.000 1.337 266 A HN 1.407 nan 8.150 nan 0.000 0.423 267 G N -1.069 107.731 108.800 -0.001 0.000 2.151 267 G HA2 0.012 3.972 3.960 0.000 0.000 0.156 267 G HA3 0.012 3.972 3.960 0.000 0.000 0.156 267 G C -0.425 174.486 174.900 0.018 0.000 1.017 267 G CA -0.033 45.127 45.100 0.100 0.000 0.686 267 G HN 0.753 nan 8.290 nan 0.000 0.503 268 L N 1.487 122.519 121.223 -0.319 0.000 2.395 268 L HA 0.778 5.118 4.340 0.000 0.000 0.269 268 L C 0.975 177.769 176.870 -0.126 0.000 1.133 268 L CA 0.511 55.134 54.840 -0.361 0.000 0.812 268 L CB 1.669 43.371 42.059 -0.595 0.000 1.125 268 L HN 0.458 nan 8.230 nan 0.000 0.452 269 T N -0.108 114.401 114.554 -0.075 0.000 2.952 269 T HA 0.544 4.894 4.350 0.000 0.000 0.305 269 T C -2.858 171.813 174.700 -0.049 0.000 1.064 269 T CA -2.231 59.844 62.100 -0.041 0.000 1.008 269 T CB 1.912 70.773 68.868 -0.011 0.000 1.078 269 T HN 0.163 nan 8.240 nan 0.000 0.459 270 P HA 0.120 nan 4.420 nan 0.000 0.261 270 P C 0.291 177.562 177.300 -0.047 0.000 1.173 270 P CA 0.562 63.637 63.100 -0.042 0.000 0.760 270 P CB 0.074 31.759 31.700 -0.025 0.000 0.783 271 N N -0.989 117.669 118.700 -0.070 0.000 2.778 271 N HA -0.144 4.596 4.740 0.000 0.000 0.249 271 N C -0.576 174.897 175.510 -0.062 0.000 1.069 271 N CA 0.753 53.762 53.050 -0.068 0.000 0.831 271 N CB -1.641 36.828 38.487 -0.029 0.000 1.142 271 N HN 0.194 nan 8.380 nan 0.000 0.573 272 V N 1.147 121.022 119.914 -0.065 0.000 2.513 272 V HA 0.226 4.346 4.120 0.000 0.000 0.299 272 V C 0.125 176.189 176.094 -0.050 0.000 1.035 272 V CA -0.813 61.466 62.300 -0.035 0.000 0.889 272 V CB 2.083 33.903 31.823 -0.005 0.000 0.988 272 V HN -0.048 nan 8.190 nan 0.000 0.440 273 D N 3.395 123.775 120.400 -0.034 0.000 2.434 273 D HA 0.110 4.750 4.640 0.000 0.000 0.252 273 D C -0.542 175.769 176.300 0.018 0.000 1.185 273 D CA 0.495 54.472 54.000 -0.038 0.000 0.886 273 D CB 0.397 41.197 40.800 -0.000 0.000 1.148 273 D HN 0.347 nan 8.370 nan 0.000 0.483 274 F N 3.630 123.487 119.950 -0.156 0.000 2.385 274 F HA 0.329 4.856 4.527 0.000 0.000 0.360 274 F C -0.712 175.030 175.800 -0.096 0.000 1.122 274 F CA -0.780 57.144 58.000 -0.127 0.000 1.090 274 F CB 0.783 39.679 39.000 -0.173 0.000 1.150 274 F HN 0.001 nan 8.300 nan 0.000 0.472 275 V N 6.939 126.559 119.914 -0.490 0.000 2.417 275 V HA 0.411 4.531 4.120 0.000 0.000 0.291 275 V C -0.597 175.239 176.094 -0.429 0.000 1.024 275 V CA -0.907 61.192 62.300 -0.336 0.000 0.861 275 V CB 1.427 33.136 31.823 -0.191 0.000 0.985 275 V HN 0.496 nan 8.190 nan 0.000 0.436 276 V N 5.101 124.865 119.914 -0.250 0.000 2.328 276 V HA 0.334 4.454 4.120 0.000 0.000 0.278 276 V C 0.110 176.076 176.094 -0.213 0.000 1.021 276 V CA -0.706 61.461 62.300 -0.222 0.000 0.838 276 V CB 1.271 33.029 31.823 -0.108 0.000 0.999 276 V HN 0.815 nan 8.190 nan 0.000 0.447 277 Q N 3.015 122.699 119.800 -0.193 0.000 2.352 277 Q HA 0.276 4.616 4.340 0.000 0.000 0.260 277 Q C -0.820 175.024 176.000 -0.259 0.000 0.976 277 Q CA 0.118 55.827 55.803 -0.156 0.000 0.881 277 Q CB 1.019 29.695 28.738 -0.103 0.000 1.235 277 Q HN 0.633 nan 8.270 nan 0.000 0.419 278 Y N 0.070 120.255 120.300 -0.193 0.000 2.304 278 Y HA 0.348 4.898 4.550 0.000 0.000 0.328 278 Y C 0.736 176.527 175.900 -0.182 0.000 1.123 278 Y CA -0.393 57.481 58.100 -0.378 0.000 1.218 278 Y CB 1.034 39.203 38.460 -0.485 0.000 1.207 278 Y HN 0.644 nan 8.280 nan 0.000 0.495 279 A N 3.023 125.859 122.820 0.025 0.000 2.313 279 A HA 0.311 4.631 4.320 0.000 0.000 0.261 279 A C -0.147 177.414 177.584 -0.038 0.000 1.090 279 A CA -0.798 51.193 52.037 -0.076 0.000 0.807 279 A CB -0.010 18.823 19.000 -0.278 0.000 1.055 279 A HN 0.875 nan 8.150 nan 0.000 0.492 280 N N -0.684 117.925 118.700 -0.152 0.000 2.408 280 N HA 0.534 5.274 4.740 0.000 0.000 0.260 280 N C 0.547 175.937 175.510 -0.199 0.000 1.242 280 N CA -0.139 52.818 53.050 -0.155 0.000 0.959 280 N CB 0.500 38.890 38.487 -0.162 0.000 1.201 280 N HN 0.730 nan 8.380 nan 0.000 0.511 281 L N -4.091 117.054 121.223 -0.131 0.000 3.271 281 L HA -0.300 4.040 4.340 0.000 0.000 0.385 281 L C -0.303 176.777 176.870 0.351 0.000 0.696 281 L CA 1.325 56.212 54.840 0.078 0.000 3.118 281 L CB -1.367 40.697 42.059 0.010 0.000 0.639 281 L HN 0.628 nan 8.230 nan 0.000 0.752 282 Y N 1.296 121.584 120.300 -0.020 0.000 2.346 282 Y HA 0.267 4.817 4.550 0.000 0.000 0.330 282 Y C 1.031 176.912 175.900 -0.033 0.000 1.178 282 Y CA -0.634 57.324 58.100 -0.236 0.000 1.331 282 Y CB 0.504 38.381 38.460 -0.972 0.000 1.253 282 Y HN 0.060 nan 8.280 nan 0.000 0.529 283 R N 3.556 124.146 120.500 0.151 0.000 2.247 283 R HA 0.215 4.555 4.340 0.000 0.000 0.329 283 R C -1.714 174.631 176.300 0.075 0.000 1.014 283 R CA -0.602 55.593 56.100 0.158 0.000 0.907 283 R CB 0.371 30.710 30.300 0.065 0.000 1.146 283 R HN 0.535 nan 8.270 nan 0.000 0.499 284 Y N 3.240 123.648 120.300 0.180 0.000 2.436 284 Y HA 0.047 4.597 4.550 0.000 0.000 0.343 284 Y C 1.384 177.346 175.900 0.102 0.000 1.008 284 Y CA -0.268 57.951 58.100 0.197 0.000 1.241 284 Y CB 0.641 39.235 38.460 0.225 0.000 1.153 284 Y HN 0.464 nan 8.280 nan 0.000 0.521 285 L N 1.898 123.241 121.223 0.199 0.000 2.162 285 L HA 0.039 4.379 4.340 0.000 0.000 0.205 285 L C 0.758 177.740 176.870 0.187 0.000 1.086 285 L CA 0.610 55.507 54.840 0.096 0.000 0.778 285 L CB -0.115 41.920 42.059 -0.040 0.000 0.928 285 L HN 0.624 nan 8.230 nan 0.000 0.446 286 S N -1.988 113.886 115.700 0.291 0.000 2.570 286 S HA 0.610 5.080 4.470 0.000 0.000 0.270 286 S C -0.623 174.176 174.600 0.331 0.000 1.149 286 S CA -0.678 57.665 58.200 0.239 0.000 0.837 286 S CB 2.362 65.749 63.200 0.311 0.000 1.124 286 S HN -0.071 nan 8.310 nan 0.000 0.465 287 T N 1.943 116.604 114.554 0.178 0.000 2.916 287 T HA 0.611 4.961 4.350 0.000 0.000 0.298 287 T C -0.953 173.727 174.700 -0.033 0.000 1.031 287 T CA -0.398 61.766 62.100 0.105 0.000 0.993 287 T CB 0.905 69.882 68.868 0.181 0.000 1.045 287 T HN 0.660 nan 8.240 nan 0.000 0.454 288 I N 2.238 122.726 120.570 -0.138 0.000 2.509 288 I HA 0.722 4.892 4.170 0.000 0.000 0.293 288 I C -0.349 175.624 176.117 -0.240 0.000 1.020 288 I CA -0.928 60.332 61.300 -0.067 0.000 1.088 288 I CB 1.748 39.810 38.000 0.102 0.000 1.267 288 I HN 0.734 nan 8.210 nan 0.000 0.430 289 A N 6.253 128.984 122.820 -0.148 0.000 2.335 289 A HA 0.755 5.075 4.320 0.000 0.000 0.304 289 A C -1.141 176.520 177.584 0.129 0.000 1.118 289 A CA -0.475 51.489 52.037 -0.121 0.000 0.757 289 A CB 1.353 20.191 19.000 -0.271 0.000 1.188 289 A HN 0.392 nan 8.150 nan 0.000 0.460 290 V N 3.338 123.345 119.914 0.155 0.000 2.357 290 V HA 0.315 4.435 4.120 0.000 0.000 0.284 290 V C -0.696 175.581 176.094 0.305 0.000 1.018 290 V CA -0.393 62.043 62.300 0.227 0.000 0.841 290 V CB 1.194 33.099 31.823 0.136 0.000 0.991 290 V HN 0.782 nan 8.190 nan 0.000 0.437 291 F N 5.286 125.327 119.950 0.152 0.000 2.406 291 F HA 0.368 4.895 4.527 0.000 0.000 0.358 291 F C 0.460 176.149 175.800 -0.184 0.000 1.161 291 F CA -1.790 56.217 58.000 0.011 0.000 1.185 291 F CB 0.170 39.197 39.000 0.046 0.000 1.421 291 F HN 0.600 nan 8.300 nan 0.000 0.576 292 D N 4.248 124.630 120.400 -0.030 0.000 2.435 292 D HA -0.029 4.611 4.640 0.000 0.000 0.230 292 D C -0.085 175.878 176.300 -0.563 0.000 1.215 292 D CA 0.086 53.758 54.000 -0.547 0.000 0.947 292 D CB -0.321 40.399 40.800 -0.133 0.000 1.048 292 D HN 0.273 nan 8.370 nan 0.000 0.512 293 N N 2.827 120.943 118.700 -0.974 0.000 3.050 293 N HA 0.191 4.931 4.740 0.000 0.000 0.289 293 N C 0.733 175.933 175.510 -0.518 0.000 1.209 293 N CA 0.411 52.937 53.050 -0.874 0.000 1.154 293 N CB -0.434 37.334 38.487 -1.198 0.000 1.444 293 N HN 0.608 nan 8.380 nan 0.000 0.529 294 G N 0.985 109.580 108.800 -0.342 0.000 2.323 294 G HA2 -0.213 3.747 3.960 0.000 0.000 0.292 294 G HA3 -0.213 3.747 3.960 0.000 0.000 0.292 294 G C 0.982 175.749 174.900 -0.221 0.000 1.040 294 G CA 0.569 45.537 45.100 -0.219 0.000 0.942 294 G HN 1.105 nan 8.290 nan 0.000 0.506 295 G N -2.332 106.290 108.800 -0.296 0.000 2.217 295 G HA2 -0.059 3.901 3.960 0.000 0.000 0.246 295 G HA3 -0.059 3.901 3.960 0.000 0.000 0.246 295 G C 0.476 175.245 174.900 -0.219 0.000 0.990 295 G CA 0.643 45.645 45.100 -0.165 0.000 0.627 295 G HN 1.742 nan 8.290 nan 0.000 0.522 296 S N 0.266 115.703 115.700 -0.438 0.000 2.508 296 S HA 0.761 5.231 4.470 0.000 0.000 0.284 296 S C -0.810 173.379 174.600 -0.685 0.000 1.192 296 S CA -0.294 57.695 58.200 -0.352 0.000 1.070 296 S CB 0.881 63.909 63.200 -0.288 0.000 1.004 296 S HN 0.308 nan 8.310 nan 0.000 0.493 297 F N 2.904 122.748 119.950 -0.177 0.000 2.445 297 F HA 0.441 4.968 4.527 0.000 0.000 0.348 297 F C 0.454 176.192 175.800 -0.103 0.000 1.125 297 F CA -0.851 57.054 58.000 -0.158 0.000 0.983 297 F CB 1.201 40.110 39.000 -0.153 0.000 1.198 297 F HN 0.389 nan 8.300 nan 0.000 0.436 298 N N 1.428 120.126 118.700 -0.004 0.000 2.384 298 N HA 0.501 5.241 4.740 0.000 0.000 0.301 298 N C -0.487 175.089 175.510 0.110 0.000 1.133 298 N CA -0.704 52.364 53.050 0.030 0.000 0.853 298 N CB 2.235 40.704 38.487 -0.030 0.000 1.241 298 N HN 0.574 nan 8.380 nan 0.000 0.502 299 A N 0.613 123.495 122.820 0.103 0.000 3.063 299 A HA 0.462 4.782 4.320 0.000 0.000 0.263 299 A C 1.353 179.045 177.584 0.181 0.000 1.736 299 A CA 0.338 52.454 52.037 0.131 0.000 1.408 299 A CB -1.424 17.633 19.000 0.096 0.000 1.108 299 A HN 0.915 nan 8.150 nan 0.000 0.621 300 G N 1.063 110.034 108.800 0.284 0.000 2.302 300 G HA2 -0.422 3.538 3.960 0.000 0.000 0.263 300 G HA3 -0.422 3.538 3.960 0.000 0.000 0.263 300 G C 1.360 176.349 174.900 0.148 0.000 0.995 300 G CA 1.548 46.812 45.100 0.273 0.000 0.622 300 G HN 1.559 nan 8.290 nan 0.000 0.538 301 T N -0.626 113.995 114.554 0.112 0.000 2.977 301 T HA 0.043 4.393 4.350 0.000 0.000 0.271 301 T C 1.479 176.210 174.700 0.052 0.000 1.105 301 T CA 1.878 64.019 62.100 0.068 0.000 1.116 301 T CB -0.243 68.653 68.868 0.047 0.000 0.878 301 T HN 0.624 nan 8.240 nan 0.000 0.509 302 D N 0.321 120.764 120.400 0.073 0.000 2.368 302 D HA 0.256 4.896 4.640 0.000 0.000 0.218 302 D C 0.148 176.532 176.300 0.141 0.000 1.112 302 D CA -0.495 53.556 54.000 0.085 0.000 0.834 302 D CB -0.305 40.509 40.800 0.025 0.000 0.953 302 D HN 0.478 nan 8.370 nan 0.000 0.505 303 I N 0.467 121.074 120.570 0.061 0.000 2.545 303 I HA 0.217 4.387 4.170 0.000 0.000 0.292 303 I C 0.619 176.684 176.117 -0.086 0.000 1.040 303 I CA -0.863 60.400 61.300 -0.062 0.000 1.068 303 I CB 2.139 40.039 38.000 -0.166 0.000 1.251 303 I HN -0.269 nan 8.210 nan 0.000 0.424 304 N N 3.897 122.497 118.700 -0.166 0.000 2.197 304 N HA -0.002 4.738 4.740 0.000 0.000 0.184 304 N C -0.569 174.946 175.510 0.009 0.000 1.030 304 N CA 1.404 54.401 53.050 -0.088 0.000 0.851 304 N CB 0.247 38.643 38.487 -0.152 0.000 1.003 304 N HN 0.629 nan 8.380 nan 0.000 0.430 305 Y N -1.979 118.244 120.300 -0.130 0.000 2.741 305 Y HA 0.630 5.180 4.550 0.000 0.000 0.339 305 Y C -1.793 173.935 175.900 -0.286 0.000 1.226 305 Y CA -1.442 56.566 58.100 -0.154 0.000 1.072 305 Y CB 0.475 38.886 38.460 -0.083 0.000 1.331 305 Y HN -0.276 nan 8.280 nan 0.000 0.453 306 L N 1.636 122.802 121.223 -0.094 0.000 2.333 306 L HA 0.924 5.264 4.340 0.000 0.000 0.263 306 L C -0.099 176.655 176.870 -0.194 0.000 1.014 306 L CA -0.547 54.002 54.840 -0.484 0.000 0.820 306 L CB 2.214 43.490 42.059 -1.304 0.000 1.352 306 L HN 0.891 nan 8.230 nan 0.000 0.421 307 S N -0.173 115.314 115.700 -0.355 0.000 2.636 307 S HA 0.589 5.059 4.470 0.000 0.000 0.268 307 S C -2.078 172.391 174.600 -0.217 0.000 1.159 307 S CA -0.615 57.550 58.200 -0.058 0.000 0.815 307 S CB 1.609 64.816 63.200 0.012 0.000 1.130 307 S HN 0.578 nan 8.310 nan 0.000 0.471 308 Q N 1.070 120.868 119.800 -0.003 0.000 2.304 308 Q HA 0.570 4.910 4.340 0.000 0.000 0.270 308 Q C -1.111 174.914 176.000 0.042 0.000 1.035 308 Q CA -0.683 55.151 55.803 0.052 0.000 0.781 308 Q CB 2.209 31.035 28.738 0.147 0.000 1.261 308 Q HN 0.665 nan 8.270 nan 0.000 0.444 309 R N -0.638 119.892 120.500 0.050 0.000 2.604 309 R HA 0.440 4.780 4.340 0.000 0.000 0.281 309 R C -0.343 175.978 176.300 0.035 0.000 1.020 309 R CA -0.707 55.410 56.100 0.028 0.000 0.899 309 R CB 0.983 31.288 30.300 0.009 0.000 1.205 309 R HN 0.503 nan 8.270 nan 0.000 0.450 310 T N 0.687 115.251 114.554 0.017 0.000 3.418 310 T HA 0.447 4.797 4.350 0.000 0.000 0.239 310 T C 0.981 175.684 174.700 0.005 0.000 0.905 310 T CA 0.110 62.217 62.100 0.012 0.000 0.929 310 T CB -0.525 68.345 68.868 0.003 0.000 1.121 310 T HN 1.087 nan 8.240 nan 0.000 0.608 311 A N 1.498 124.322 122.820 0.006 0.000 5.821 311 A HA -0.066 4.254 4.320 0.000 0.000 0.282 311 A C 1.527 179.107 177.584 -0.006 0.000 2.032 311 A CA 1.755 53.790 52.037 -0.003 0.000 0.715 311 A CB -2.354 16.641 19.000 -0.007 0.000 1.178 311 A HN 2.329 nan 8.150 nan 0.000 0.370 312 N N -2.439 116.255 118.700 -0.009 0.000 2.677 312 N HA 0.425 5.165 4.740 0.000 0.000 0.249 312 N C 1.305 176.809 175.510 -0.009 0.000 1.073 312 N CA 2.172 55.216 53.050 -0.009 0.000 0.737 312 N CB -2.256 36.225 38.487 -0.009 0.000 0.999 312 N HN 2.687 nan 8.380 nan 0.000 0.543 313 F N -2.177 117.767 119.950 -0.009 0.000 2.694 313 F HA 0.139 4.666 4.527 0.000 0.000 0.215 313 F C 0.814 176.606 175.800 -0.013 0.000 1.032 313 F CA 1.543 59.537 58.000 -0.011 0.000 0.871 313 F CB -1.729 37.264 39.000 -0.011 0.000 0.776 313 F HN 1.960 nan 8.300 nan 0.000 0.850 314 S N 1.416 117.109 115.700 -0.012 0.000 2.721 314 S HA 0.480 4.950 4.470 0.000 0.000 0.264 314 S C -0.927 173.667 174.600 -0.011 0.000 1.161 314 S CA -0.288 57.904 58.200 -0.013 0.000 1.113 314 S CB 0.645 63.839 63.200 -0.009 0.000 1.079 314 S HN 0.578 nan 8.310 nan 0.000 0.479 315 D N 2.793 123.181 120.400 -0.021 0.000 2.256 315 D HA 0.239 4.879 4.640 0.000 0.000 0.250 315 D C 1.204 177.497 176.300 -0.012 0.000 1.093 315 D CA -0.060 53.929 54.000 -0.018 0.000 0.882 315 D CB 1.890 42.664 40.800 -0.043 0.000 1.185 315 D HN 0.659 nan 8.370 nan 0.000 0.437 316 T N -1.065 113.490 114.554 0.002 0.000 3.022 316 T HA 0.061 4.411 4.350 0.000 0.000 0.250 316 T C 0.928 175.628 174.700 -0.000 0.000 1.060 316 T CA -0.279 61.820 62.100 -0.001 0.000 1.013 316 T CB 0.279 69.148 68.868 0.002 0.000 0.982 316 T HN 0.588 nan 8.240 nan 0.000 0.508 317 R N 0.423 120.934 120.500 0.020 0.000 2.714 317 R HA 0.311 4.651 4.340 0.000 0.000 0.214 317 R C -0.844 175.524 176.300 0.113 0.000 1.474 317 R CA -0.653 55.467 56.100 0.033 0.000 1.435 317 R CB -0.321 29.968 30.300 -0.018 0.000 1.517 317 R HN 0.084 nan 8.270 nan 0.000 0.748 318 K N 2.882 123.306 120.400 0.040 0.000 2.338 318 K HA 0.282 4.602 4.320 0.000 0.000 0.290 318 K C -0.960 175.662 176.600 0.037 0.000 1.069 318 K CA -0.103 56.185 56.287 0.001 0.000 0.941 318 K CB 0.465 32.859 32.500 -0.178 0.000 1.023 318 K HN 0.443 nan 8.250 nan 0.000 0.477 319 L N 3.281 124.616 121.223 0.187 0.000 2.371 319 L HA 0.341 4.681 4.340 0.000 0.000 0.262 319 L C -0.430 176.577 176.870 0.227 0.000 1.006 319 L CA -1.376 53.591 54.840 0.213 0.000 0.818 319 L CB 2.033 44.286 42.059 0.323 0.000 1.354 319 L HN 0.736 nan 8.230 nan 0.000 0.415 320 D N 0.344 120.850 120.400 0.176 0.000 2.368 320 D HA 0.149 4.789 4.640 0.000 0.000 0.240 320 D C -2.108 174.305 176.300 0.189 0.000 1.169 320 D CA -1.206 52.890 54.000 0.160 0.000 0.906 320 D CB 0.667 41.541 40.800 0.123 0.000 1.187 320 D HN 0.196 nan 8.370 nan 0.000 0.435 321 P HA -0.218 nan 4.420 nan 0.000 0.216 321 P C 1.132 178.606 177.300 0.290 0.000 1.153 321 P CA 1.532 64.736 63.100 0.174 0.000 0.858 321 P CB 0.090 31.860 31.700 0.117 0.000 0.789 322 K N -1.074 119.457 120.400 0.217 0.000 2.097 322 K HA -0.071 4.249 4.320 0.000 0.000 0.205 322 K C 1.737 178.462 176.600 0.209 0.000 1.050 322 K CA 1.531 57.939 56.287 0.202 0.000 0.938 322 K CB -0.400 32.184 32.500 0.141 0.000 0.718 322 K HN 0.032 nan 8.250 nan 0.000 0.442 323 T N 0.335 115.011 114.554 0.203 0.000 2.904 323 T HA -0.139 4.211 4.350 0.000 0.000 0.267 323 T C 1.115 175.948 174.700 0.221 0.000 1.059 323 T CA 0.776 62.979 62.100 0.172 0.000 1.137 323 T CB -0.201 68.749 68.868 0.136 0.000 0.879 323 T HN 0.437 nan 8.240 nan 0.000 0.467 324 W N 2.247 123.620 121.300 0.121 0.000 2.358 324 W HA -0.070 4.590 4.660 0.000 0.000 0.303 324 W C 2.447 179.089 176.519 0.206 0.000 1.208 324 W CA 1.255 58.694 57.345 0.157 0.000 1.274 324 W CB -0.612 28.949 29.460 0.168 0.000 1.138 324 W HN 0.288 nan 8.180 nan 0.000 0.515 325 A N 0.894 124.015 122.820 0.502 0.000 1.972 325 A HA -0.066 4.254 4.320 0.000 0.000 0.219 325 A C 2.187 179.895 177.584 0.208 0.000 1.169 325 A CA 2.550 54.815 52.037 0.380 0.000 0.635 325 A CB -1.216 17.979 19.000 0.325 0.000 0.810 325 A HN 0.291 nan 8.150 nan 0.000 0.446 326 A N -0.908 122.006 122.820 0.157 0.000 1.933 326 A HA -0.185 4.135 4.320 0.000 0.000 0.218 326 A C 2.090 179.707 177.584 0.056 0.000 1.175 326 A CA 1.670 53.762 52.037 0.092 0.000 0.628 326 A CB -0.432 18.614 19.000 0.076 0.000 0.814 326 A HN 0.499 nan 8.150 nan 0.000 0.444 327 Q N -0.493 119.319 119.800 0.019 0.000 2.124 327 Q HA -0.117 4.223 4.340 0.000 0.000 0.202 327 Q C 2.112 178.131 176.000 0.032 0.000 0.977 327 Q CA 1.987 57.771 55.803 -0.031 0.000 0.850 327 Q CB -1.225 27.409 28.738 -0.173 0.000 0.901 327 Q HN 0.636 nan 8.270 nan 0.000 0.429 328 T N 1.086 115.698 114.554 0.096 0.000 2.821 328 T HA -0.060 4.290 4.350 0.000 0.000 0.267 328 T C 1.804 176.567 174.700 0.106 0.000 1.046 328 T CA 0.748 62.975 62.100 0.212 0.000 1.139 328 T CB -0.038 69.050 68.868 0.366 0.000 0.871 328 T HN 0.260 nan 8.240 nan 0.000 0.454 329 R N 0.722 121.265 120.500 0.071 0.000 2.152 329 R HA 0.029 4.369 4.340 0.000 0.000 0.232 329 R C 2.438 178.744 176.300 0.010 0.000 1.117 329 R CA 0.757 56.869 56.100 0.020 0.000 0.981 329 R CB -0.068 30.249 30.300 0.028 0.000 0.870 329 R HN 0.220 nan 8.270 nan 0.000 0.451 330 R N 0.171 120.688 120.500 0.028 0.000 2.189 330 R HA 0.014 4.354 4.340 0.000 0.000 0.218 330 R C 1.847 178.164 176.300 0.028 0.000 1.074 330 R CA 0.737 56.850 56.100 0.022 0.000 0.991 330 R CB 0.025 30.338 30.300 0.023 0.000 0.883 330 R HN 0.169 nan 8.270 nan 0.000 0.457 331 R N 0.407 120.936 120.500 0.049 0.000 2.146 331 R HA 0.159 4.499 4.340 0.000 0.000 0.206 331 R C 2.025 178.315 176.300 -0.018 0.000 1.049 331 R CA 0.769 56.906 56.100 0.063 0.000 1.029 331 R CB 0.057 30.472 30.300 0.191 0.000 0.949 331 R HN 0.313 nan 8.270 nan 0.000 0.471 332 I N -3.969 116.550 120.570 -0.084 0.000 4.147 332 I HA 0.478 4.648 4.170 0.000 0.000 0.329 332 I C 0.498 176.525 176.117 -0.149 0.000 1.424 332 I CA 0.100 61.297 61.300 -0.172 0.000 1.127 332 I CB 0.882 38.651 38.000 -0.386 0.000 1.128 332 I HN -0.042 nan 8.210 nan 0.000 0.417 333 A N 0.298 123.063 122.820 -0.092 0.000 2.861 333 A HA -0.213 4.107 4.320 0.000 0.000 0.261 333 A C 0.636 178.174 177.584 -0.078 0.000 1.351 333 A CA 1.670 53.665 52.037 -0.070 0.000 0.904 333 A CB -2.298 16.664 19.000 -0.063 0.000 1.076 333 A HN 0.807 nan 8.150 nan 0.000 0.729 334 T N -1.853 112.637 114.554 -0.108 0.000 2.654 334 T HA 0.496 4.846 4.350 0.000 0.000 0.303 334 T C -2.119 172.504 174.700 -0.128 0.000 1.656 334 T CA 0.137 62.177 62.100 -0.100 0.000 0.971 334 T CB 0.939 69.738 68.868 -0.114 0.000 1.811 334 T HN 0.285 nan 8.240 nan 0.000 0.483 335 D N 0.568 120.911 120.400 -0.094 0.000 2.217 335 D HA 0.516 5.156 4.640 0.000 0.000 0.248 335 D C -0.275 175.936 176.300 -0.148 0.000 1.008 335 D CA -0.119 53.845 54.000 -0.060 0.000 0.914 335 D CB 0.799 41.614 40.800 0.024 0.000 1.182 335 D HN 0.333 nan 8.370 nan 0.000 0.451 336 F N 0.587 120.472 119.950 -0.108 0.000 2.399 336 F HA 0.220 4.747 4.527 0.000 0.000 0.313 336 F C -1.341 174.355 175.800 -0.174 0.000 1.202 336 F CA -1.266 56.592 58.000 -0.237 0.000 1.192 336 F CB 0.078 38.833 39.000 -0.409 0.000 1.256 336 F HN 0.070 nan 8.300 nan 0.000 0.558 337 P HA -0.008 nan 4.420 nan 0.000 0.270 337 P C -1.174 176.158 177.300 0.053 0.000 1.227 337 P CA -0.270 62.894 63.100 0.106 0.000 0.788 337 P CB 0.328 32.192 31.700 0.273 0.000 0.926 338 K N 1.132 121.573 120.400 0.068 0.000 2.530 338 K HA 0.110 4.430 4.320 0.000 0.000 0.280 338 K C 1.288 177.951 176.600 0.105 0.000 1.004 338 K CA 1.284 57.612 56.287 0.069 0.000 1.071 338 K CB -0.771 31.789 32.500 0.101 0.000 0.876 338 K HN 0.864 nan 8.250 nan 0.000 0.487 339 G N 1.189 110.002 108.800 0.021 0.000 2.184 339 G HA2 -0.255 3.705 3.960 0.000 0.000 0.264 339 G HA3 -0.255 3.705 3.960 0.000 0.000 0.264 339 G C 0.015 174.864 174.900 -0.085 0.000 0.975 339 G CA 0.076 45.245 45.100 0.116 0.000 0.642 339 G HN 0.428 nan 8.290 nan 0.000 0.536 340 V N 0.999 120.699 119.914 -0.357 0.000 2.370 340 V HA 0.649 4.769 4.120 0.000 0.000 0.283 340 V C -0.292 175.440 176.094 -0.604 0.000 1.023 340 V CA -0.814 61.275 62.300 -0.352 0.000 0.857 340 V CB 0.824 32.414 31.823 -0.389 0.000 0.985 340 V HN 0.252 nan 8.190 nan 0.000 0.443 341 Y N 4.139 124.474 120.300 0.058 0.000 2.393 341 Y HA 0.622 5.172 4.550 0.000 0.000 0.341 341 Y C -0.508 175.568 175.900 0.293 0.000 0.988 341 Y CA -0.802 57.437 58.100 0.231 0.000 1.078 341 Y CB 1.827 40.348 38.460 0.101 0.000 1.203 341 Y HN 0.630 nan 8.280 nan 0.000 0.453 342 Y N 2.183 122.785 120.300 0.503 0.000 2.468 342 Y HA 0.671 5.221 4.550 0.000 0.000 0.342 342 Y C -1.190 175.006 175.900 0.494 0.000 1.021 342 Y CA -1.830 56.461 58.100 0.319 0.000 1.079 342 Y CB 1.713 40.287 38.460 0.190 0.000 1.226 342 Y HN 0.802 nan 8.280 nan 0.000 0.460 343 C N 6.637 125.676 119.300 -0.436 0.000 2.432 343 C HA 0.366 4.826 4.460 0.000 0.000 0.334 343 C C -1.317 173.293 174.990 -0.634 0.000 1.155 343 C CA -0.709 58.120 59.018 -0.315 0.000 1.335 343 C CB -0.021 27.913 27.740 0.323 0.000 1.964 343 C HN 0.885 nan 8.230 nan 0.000 0.444 344 D N 3.993 124.099 120.400 -0.490 0.000 2.280 344 D HA 0.295 4.935 4.640 0.000 0.000 0.243 344 D C 0.042 176.310 176.300 -0.054 0.000 1.129 344 D CA 0.275 54.155 54.000 -0.200 0.000 0.848 344 D CB 0.754 41.569 40.800 0.025 0.000 1.107 344 D HN 0.710 nan 8.370 nan 0.000 0.471 345 N N 3.513 122.220 118.700 0.012 0.000 2.451 345 N HA 0.099 4.839 4.740 0.000 0.000 0.271 345 N C 1.093 176.627 175.510 0.039 0.000 1.410 345 N CA -0.171 52.896 53.050 0.028 0.000 0.884 345 N CB 0.724 39.238 38.487 0.044 0.000 1.332 345 N HN 0.358 nan 8.380 nan 0.000 0.498 346 R N 0.483 121.014 120.500 0.053 0.000 2.081 346 R HA -0.045 4.295 4.340 0.000 0.000 0.235 346 R C 0.740 177.047 176.300 0.012 0.000 1.131 346 R CA 1.161 57.286 56.100 0.042 0.000 0.960 346 R CB 0.103 30.468 30.300 0.109 0.000 0.856 346 R HN 0.121 nan 8.270 nan 0.000 0.436 347 D N 0.419 120.833 120.400 0.023 0.000 2.183 347 D HA -0.041 4.599 4.640 0.000 0.000 0.203 347 D C 0.208 176.511 176.300 0.006 0.000 0.969 347 D CA 1.242 55.250 54.000 0.014 0.000 0.842 347 D CB 0.225 41.036 40.800 0.018 0.000 0.957 347 D HN 0.119 nan 8.370 nan 0.000 0.484 348 K N 0.904 121.310 120.400 0.009 0.000 2.753 348 K HA 0.293 4.613 4.320 0.000 0.000 0.185 348 K C -2.738 173.874 176.600 0.020 0.000 1.071 348 K CA -1.466 54.828 56.287 0.012 0.000 0.999 348 K CB 2.325 34.832 32.500 0.011 0.000 1.244 348 K HN -0.108 nan 8.250 nan 0.000 0.594 349 P HA -0.039 nan 4.420 nan 0.000 0.265 349 P C -0.116 177.234 177.300 0.084 0.000 1.187 349 P CA -0.187 62.943 63.100 0.049 0.000 0.766 349 P CB 0.452 32.169 31.700 0.029 0.000 0.820 350 I N 3.643 124.262 120.570 0.080 0.000 2.587 350 I HA 0.007 4.177 4.170 0.000 0.000 0.284 350 I C -0.038 176.223 176.117 0.240 0.000 1.134 350 I CA 0.259 61.566 61.300 0.012 0.000 1.410 350 I CB -1.206 36.564 38.000 -0.383 0.000 1.392 350 I HN 0.402 nan 8.210 nan 0.000 0.545 351 Y N 5.795 126.116 120.300 0.036 0.000 2.315 351 Y HA 0.162 4.712 4.550 0.000 0.000 0.324 351 Y C 1.285 177.210 175.900 0.041 0.000 1.062 351 Y CA -1.051 57.093 58.100 0.074 0.000 1.159 351 Y CB 1.585 40.081 38.460 0.060 0.000 1.145 351 Y HN 0.725 nan 8.280 nan 0.000 0.442 352 T N 0.751 115.224 114.554 -0.136 0.000 2.881 352 T HA -0.180 4.170 4.350 0.000 0.000 0.270 352 T C 2.033 176.580 174.700 -0.255 0.000 1.068 352 T CA 1.787 63.792 62.100 -0.158 0.000 1.131 352 T CB -0.704 68.097 68.868 -0.112 0.000 0.871 352 T HN 0.549 nan 8.240 nan 0.000 0.479 353 L N 0.654 121.545 121.223 -0.554 0.000 2.056 353 L HA 0.353 4.693 4.340 0.000 0.000 0.207 353 L C 3.038 179.814 176.870 -0.157 0.000 1.078 353 L CA 2.385 56.978 54.840 -0.412 0.000 0.749 353 L CB -2.198 39.483 42.059 -0.629 0.000 0.901 353 L HN 0.726 nan 8.230 nan 0.000 0.433 354 Q N -2.411 117.362 119.800 -0.044 0.000 2.360 354 Q HA 0.368 4.708 4.340 0.000 0.000 0.202 354 Q C 1.438 177.464 176.000 0.043 0.000 0.915 354 Q CA 1.539 57.391 55.803 0.082 0.000 0.943 354 Q CB -0.958 27.913 28.738 0.221 0.000 1.064 354 Q HN 1.857 nan 8.270 nan 0.000 0.511 355 Y N -3.213 117.090 120.300 0.004 0.000 2.795 355 Y HA 0.546 5.096 4.550 0.000 0.000 0.274 355 Y C 1.274 177.165 175.900 -0.016 0.000 1.035 355 Y CA 0.236 58.337 58.100 0.002 0.000 1.252 355 Y CB -0.064 38.404 38.460 0.013 0.000 1.399 355 Y HN 1.235 nan 8.280 nan 0.000 0.579 356 G N 0.899 109.677 108.800 -0.038 0.000 2.796 356 G HA2 -0.167 3.793 3.960 0.000 0.000 0.571 356 G HA3 -0.167 3.793 3.960 0.000 0.000 0.571 356 G C -0.507 174.372 174.900 -0.035 0.000 1.370 356 G CA -0.379 44.697 45.100 -0.040 0.000 0.856 356 G HN 0.942 nan 8.290 nan 0.000 0.538 357 N N -0.990 117.693 118.700 -0.028 0.000 2.454 357 N HA 0.332 5.072 4.740 0.000 0.000 0.254 357 N C 0.000 175.519 175.510 0.015 0.000 1.228 357 N CA 0.394 53.438 53.050 -0.011 0.000 0.900 357 N CB 0.803 39.280 38.487 -0.017 0.000 1.089 357 N HN 0.519 nan 8.380 nan 0.000 0.449 358 V N 0.144 120.094 119.914 0.060 0.000 2.962 358 V HA 0.754 4.874 4.120 0.000 0.000 0.313 358 V C 0.393 176.646 176.094 0.265 0.000 1.099 358 V CA -0.816 61.550 62.300 0.111 0.000 0.971 358 V CB 2.087 33.928 31.823 0.029 0.000 1.028 358 V HN 0.811 nan 8.190 nan 0.000 0.430 359 G N 0.685 109.639 108.800 0.256 0.000 2.660 359 G HA2 0.672 4.632 3.960 0.000 0.000 0.294 359 G HA3 0.672 4.632 3.960 0.000 0.000 0.294 359 G C -2.052 173.011 174.900 0.272 0.000 1.369 359 G CA -0.606 44.617 45.100 0.206 0.000 0.912 359 G HN 0.489 nan 8.290 nan 0.000 0.479 360 F N 1.699 121.650 119.950 0.001 0.000 2.408 360 F HA 0.652 5.179 4.527 0.000 0.000 0.344 360 F C -0.227 175.555 175.800 -0.031 0.000 1.112 360 F CA -0.502 57.531 58.000 0.055 0.000 1.096 360 F CB 1.755 40.733 39.000 -0.038 0.000 1.129 360 F HN 0.283 nan 8.300 nan 0.000 0.486 361 V N 6.491 126.132 119.914 -0.455 0.000 2.555 361 V HA 0.585 4.705 4.120 0.000 0.000 0.302 361 V C -0.818 175.064 176.094 -0.354 0.000 1.038 361 V CA -0.872 61.270 62.300 -0.264 0.000 0.887 361 V CB 1.582 33.321 31.823 -0.140 0.000 0.991 361 V HN 0.568 nan 8.190 nan 0.000 0.434 362 V N 3.865 123.667 119.914 -0.186 0.000 2.577 362 V HA 0.469 4.589 4.120 0.000 0.000 0.303 362 V C -0.371 175.515 176.094 -0.345 0.000 1.042 362 V CA -0.627 61.487 62.300 -0.311 0.000 0.872 362 V CB 2.024 33.670 31.823 -0.294 0.000 0.998 362 V HN 0.897 nan 8.190 nan 0.000 0.423 363 N N 6.796 125.150 118.700 -0.577 0.000 2.558 363 N HA 0.370 5.110 4.740 0.000 0.000 0.242 363 N C -2.759 172.460 175.510 -0.486 0.000 0.979 363 N CA -1.622 51.067 53.050 -0.600 0.000 0.931 363 N CB 2.534 40.347 38.487 -1.123 0.000 1.122 363 N HN 0.342 nan 8.380 nan 0.000 0.508 364 P HA 0.129 nan 4.420 nan 0.000 0.275 364 P C 0.174 177.401 177.300 -0.122 0.000 1.228 364 P CA -0.152 62.810 63.100 -0.230 0.000 0.786 364 P CB 2.068 33.628 31.700 -0.234 0.000 0.927 365 K N 1.409 121.782 120.400 -0.044 0.000 2.168 365 K HA 0.088 4.408 4.320 0.000 0.000 0.201 365 K C 0.035 176.633 176.600 -0.002 0.000 1.049 365 K CA 0.933 57.204 56.287 -0.026 0.000 0.974 365 K CB 0.288 32.783 32.500 -0.008 0.000 0.792 365 K HN 0.426 nan 8.250 nan 0.000 0.463 366 T N 0.810 115.383 114.554 0.032 0.000 2.886 366 T HA 0.435 4.785 4.350 0.000 0.000 0.292 366 T C -1.456 173.274 174.700 0.051 0.000 1.012 366 T CA -0.700 61.409 62.100 0.015 0.000 0.982 366 T CB 2.297 71.156 68.868 -0.014 0.000 1.018 366 T HN -0.175 nan 8.240 nan 0.000 0.451 367 V N 4.322 124.246 119.914 0.015 0.000 2.447 367 V HA 0.404 4.524 4.120 0.000 0.000 0.292 367 V C -0.264 175.805 176.094 -0.041 0.000 1.021 367 V CA -1.131 61.184 62.300 0.025 0.000 0.850 367 V CB 1.466 33.300 31.823 0.017 0.000 1.005 367 V HN 0.770 nan 8.190 nan 0.000 0.426 368 N N 2.582 121.225 118.700 -0.094 0.000 2.379 368 N HA 0.292 5.032 4.740 0.000 0.000 0.260 368 N C 0.039 175.500 175.510 -0.082 0.000 1.254 368 N CA -0.606 52.383 53.050 -0.103 0.000 0.958 368 N CB 0.533 38.927 38.487 -0.155 0.000 1.208 368 N HN 0.541 nan 8.380 nan 0.000 0.532 369 Q N 1.143 120.901 119.800 -0.070 0.000 2.364 369 Q HA 0.063 4.403 4.340 0.000 0.000 0.267 369 Q C -0.009 175.954 176.000 -0.062 0.000 0.999 369 Q CA 0.344 56.115 55.803 -0.053 0.000 0.886 369 Q CB 0.134 28.847 28.738 -0.042 0.000 1.243 369 Q HN 0.482 nan 8.270 nan 0.000 0.415 370 N N -1.298 117.375 118.700 -0.046 0.000 2.776 370 N HA -0.181 4.559 4.740 0.000 0.000 0.249 370 N C -0.712 174.763 175.510 -0.059 0.000 1.111 370 N CA 0.988 54.014 53.050 -0.042 0.000 0.711 370 N CB -1.288 37.177 38.487 -0.037 0.000 1.065 370 N HN 0.671 nan 8.380 nan 0.000 0.556 371 A N 0.815 123.598 122.820 -0.061 0.000 2.371 371 A HA 0.659 4.979 4.320 0.000 0.000 0.257 371 A C 0.887 178.456 177.584 -0.025 0.000 1.089 371 A CA 0.132 52.143 52.037 -0.043 0.000 0.794 371 A CB 0.653 19.666 19.000 0.023 0.000 1.029 371 A HN 0.470 nan 8.150 nan 0.000 0.488 372 R N 0.803 121.317 120.500 0.024 0.000 2.712 372 R HA 0.617 4.957 4.340 0.000 0.000 0.272 372 R C -2.118 174.220 176.300 0.064 0.000 1.032 372 R CA -0.926 55.171 56.100 -0.005 0.000 0.874 372 R CB 0.921 31.240 30.300 0.032 0.000 1.256 372 R HN 0.469 nan 8.270 nan 0.000 0.468 373 L N 2.602 123.844 121.223 0.032 0.000 2.313 373 L HA 0.487 4.827 4.340 0.000 0.000 0.283 373 L C -0.764 176.187 176.870 0.134 0.000 1.013 373 L CA -1.054 53.840 54.840 0.089 0.000 0.816 373 L CB 1.677 43.793 42.059 0.095 0.000 1.236 373 L HN 0.461 nan 8.230 nan 0.000 0.419 374 L N 4.857 126.175 121.223 0.159 0.000 2.265 374 L HA 0.459 4.799 4.340 0.000 0.000 0.289 374 L C -0.203 176.747 176.870 0.133 0.000 1.033 374 L CA -0.318 54.648 54.840 0.211 0.000 0.814 374 L CB 1.306 43.569 42.059 0.340 0.000 1.203 374 L HN 0.479 nan 8.230 nan 0.000 0.423 375 M N 2.569 122.169 119.600 -0.001 0.000 2.363 375 M HA 0.517 4.997 4.480 0.000 0.000 0.343 375 M C 0.270 176.286 176.300 -0.473 0.000 1.165 375 M CA -0.374 54.742 55.300 -0.307 0.000 1.046 375 M CB 1.578 33.919 32.600 -0.432 0.000 1.648 375 M HN 0.582 nan 8.290 nan 0.000 0.452 376 G N 2.894 111.267 108.800 -0.712 0.000 2.544 376 G HA2 0.696 4.656 3.960 0.000 0.000 0.313 376 G HA3 0.696 4.656 3.960 0.000 0.000 0.313 376 G C -1.886 172.607 174.900 -0.678 0.000 1.316 376 G CA -0.240 44.223 45.100 -1.063 0.000 0.944 376 G HN 0.594 nan 8.290 nan 0.000 0.489 377 Y N 0.157 120.485 120.300 0.047 0.000 2.499 377 Y HA 0.581 5.131 4.550 0.000 0.000 0.347 377 Y C 0.240 176.391 175.900 0.419 0.000 0.987 377 Y CA -0.942 57.382 58.100 0.374 0.000 1.044 377 Y CB 2.849 41.650 38.460 0.569 0.000 1.245 377 Y HN 0.503 nan 8.280 nan 0.000 0.461 378 E N 2.581 123.114 120.200 0.556 0.000 2.199 378 E HA 0.453 4.803 4.350 0.000 0.000 0.265 378 E C -1.859 174.907 176.600 0.277 0.000 0.882 378 E CA -0.691 55.877 56.400 0.280 0.000 0.759 378 E CB 1.316 31.203 29.700 0.312 0.000 1.148 378 E HN 0.570 nan 8.360 nan 0.000 0.412 379 Y N 1.656 121.967 120.300 0.018 0.000 2.638 379 Y HA 0.562 5.112 4.550 0.000 0.000 0.335 379 Y C -1.899 173.967 175.900 -0.057 0.000 1.155 379 Y CA -1.477 56.532 58.100 -0.152 0.000 1.046 379 Y CB 0.998 39.206 38.460 -0.420 0.000 1.303 379 Y HN 0.300 nan 8.280 nan 0.000 0.460 380 F N 0.858 120.917 119.950 0.182 0.000 2.480 380 F HA 0.709 5.236 4.527 0.000 0.000 0.329 380 F C 0.192 176.063 175.800 0.119 0.000 1.091 380 F CA -0.914 57.143 58.000 0.095 0.000 0.972 380 F CB 2.528 41.528 39.000 -0.001 0.000 1.150 380 F HN 0.737 nan 8.300 nan 0.000 0.467 381 T N 1.122 115.840 114.554 0.273 0.000 2.885 381 T HA 0.277 4.627 4.350 0.000 0.000 0.322 381 T C -1.123 173.642 174.700 0.108 0.000 1.387 381 T CA -0.565 61.649 62.100 0.189 0.000 1.041 381 T CB 1.478 70.437 68.868 0.151 0.000 1.287 381 T HN 0.480 nan 8.240 nan 0.000 0.491 382 S N 2.319 118.082 115.700 0.105 0.000 2.548 382 S HA 0.249 4.719 4.470 0.000 0.000 0.277 382 S C 1.502 176.135 174.600 0.055 0.000 1.315 382 S CA -0.593 57.642 58.200 0.059 0.000 1.050 382 S CB 1.043 64.279 63.200 0.061 0.000 0.918 382 S HN 0.659 nan 8.310 nan 0.000 0.497 383 R N 1.840 122.358 120.500 0.029 0.000 2.083 383 R HA -0.108 4.232 4.340 0.000 0.000 0.237 383 R C 1.232 177.557 176.300 0.041 0.000 1.137 383 R CA 1.577 57.692 56.100 0.025 0.000 0.951 383 R CB -0.658 29.658 30.300 0.026 0.000 0.851 383 R HN 0.773 nan 8.270 nan 0.000 0.434 384 T N 0.702 115.280 114.554 0.041 0.000 3.151 384 T HA 0.526 4.876 4.350 0.000 0.000 0.332 384 T C -0.182 174.547 174.700 0.048 0.000 1.245 384 T CA 0.288 62.412 62.100 0.041 0.000 1.019 384 T CB 0.110 68.998 68.868 0.033 0.000 1.109 384 T HN 0.363 nan 8.240 nan 0.000 0.621 385 E N 0.000 120.234 120.200 0.056 0.000 2.725 385 E HA 0.000 4.350 4.350 0.000 0.000 0.291 385 E CA 0.000 nan 56.400 nan 0.000 0.976 385 E CB 0.000 nan 29.700 nan 0.000 0.812 385 E HN 0.000 nan 8.360 nan 0.000 0.440