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_K 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 -0.069 4.251 4.320 0.000 0.000 0.268 14 A C 2.199 179.786 177.584 0.005 0.000 0.943 14 A CA 3.041 55.083 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 -2.137 119.089 121.223 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 2.436 57.278 54.840 0.002 0.000 0.820 15 L CB -2.438 39.623 42.059 0.003 0.000 0.944 15 L HN 1.495 nan 8.230 nan 0.000 0.452 16 R N 0.441 120.943 120.500 0.003 0.000 2.092 16 R HA -0.150 4.191 4.340 0.000 0.000 0.231 16 R C 2.033 178.333 176.300 0.000 0.000 1.119 16 R CA 1.619 57.721 56.100 0.002 0.000 0.970 16 R CB -1.593 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 0.088 118.788 118.700 0.000 0.000 2.300 17 N HA -0.151 4.589 4.740 0.000 0.000 0.179 17 N C 1.926 177.432 175.510 -0.007 0.000 1.016 17 N CA 1.412 54.460 53.050 -0.004 0.000 0.876 17 N CB -0.116 38.370 38.487 -0.002 0.000 0.979 17 N HN 0.698 nan 8.380 nan 0.000 0.432 18 Q N 1.064 120.861 119.800 -0.005 0.000 2.167 18 Q HA -0.096 4.244 4.340 0.000 0.000 0.202 18 Q C 1.751 177.746 176.000 -0.007 0.000 0.970 18 Q CA 1.179 56.978 55.803 -0.007 0.000 0.855 18 Q CB 0.205 28.941 28.738 -0.004 0.000 0.911 18 Q HN 0.427 nan 8.270 nan 0.000 0.438 19 Q N -0.618 119.179 119.800 -0.005 0.000 2.096 19 Q HA -0.051 4.289 4.340 0.000 0.000 0.197 19 Q C 2.146 178.143 176.000 -0.006 0.000 0.964 19 Q CA 0.983 56.783 55.803 -0.004 0.000 0.838 19 Q CB -0.115 28.622 28.738 -0.001 0.000 0.906 19 Q HN 0.436 nan 8.270 nan 0.000 0.444 20 A N 1.245 124.061 122.820 -0.007 0.000 1.940 20 A HA -0.200 4.120 4.320 0.000 0.000 0.219 20 A C 2.118 179.693 177.584 -0.016 0.000 1.176 20 A CA 1.345 53.376 52.037 -0.009 0.000 0.631 20 A CB -0.442 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 -0.704 118.885 119.600 -0.019 0.000 2.086 21 M HA -0.152 4.328 4.480 0.000 0.000 0.261 21 M C 2.577 178.864 176.300 -0.023 0.000 1.067 21 M CA 1.724 57.007 55.300 -0.027 0.000 1.116 21 M CB -1.198 31.385 32.600 -0.027 0.000 1.348 21 M HN 0.504 nan 8.290 nan 0.000 0.407 22 A N 0.100 122.911 122.820 -0.016 0.000 1.930 22 A HA 0.038 4.358 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 1.873 53.903 52.037 -0.012 0.000 0.627 22 A CB -0.789 18.206 19.000 -0.008 0.000 0.815 22 A HN 0.491 nan 8.150 nan 0.000 0.443 23 A N 0.302 123.117 122.820 -0.008 0.000 1.898 23 A HA -0.200 4.120 4.320 0.000 0.000 0.216 23 A C 2.085 179.664 177.584 -0.007 0.000 1.181 23 A CA 1.666 53.700 52.037 -0.005 0.000 0.620 23 A CB -0.700 18.299 19.000 -0.002 0.000 0.819 23 A HN 0.672 nan 8.150 nan 0.000 0.442 24 N N -0.057 118.634 118.700 -0.014 0.000 2.084 24 N HA -0.165 4.575 4.740 0.000 0.000 0.190 24 N C 1.802 177.299 175.510 -0.022 0.000 1.030 24 N CA 1.817 54.855 53.050 -0.021 0.000 0.849 24 N CB -0.241 38.227 38.487 -0.033 0.000 1.012 24 N HN 0.336 nan 8.380 nan 0.000 0.423 25 L N 1.964 123.173 121.223 -0.024 0.000 2.046 25 L HA -0.124 4.216 4.340 0.000 0.000 0.208 25 L C 2.627 179.489 176.870 -0.014 0.000 1.077 25 L CA 1.621 56.448 54.840 -0.022 0.000 0.747 25 L CB -0.998 41.048 42.059 -0.022 0.000 0.896 25 L HN 0.279 nan 8.230 nan 0.000 0.432 26 Q N -0.789 119.005 119.800 -0.010 0.000 2.050 26 Q HA -0.226 4.114 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 1.969 57.769 55.803 -0.005 0.000 0.840 26 Q CB -0.211 28.526 28.738 -0.002 0.000 0.898 26 Q HN 0.645 nan 8.270 nan 0.000 0.424 27 A N 1.196 124.015 122.820 -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 1.436 53.474 52.037 0.001 0.000 0.628 27 A CB -0.676 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 -0.192 120.302 120.500 -0.010 0.000 2.083 28 R HA -0.217 4.123 4.340 0.000 0.000 0.237 28 R C 2.284 178.579 176.300 -0.009 0.000 1.137 28 R CA 2.042 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 0.130 119.926 119.800 -0.008 0.000 2.084 29 Q HA -0.155 4.185 4.340 0.000 0.000 0.202 29 Q C 2.276 178.273 176.000 -0.005 0.000 0.978 29 Q CA 1.802 57.601 55.803 -0.006 0.000 0.844 29 Q CB -0.147 28.588 28.738 -0.005 0.000 0.898 29 Q HN 0.447 nan 8.270 nan 0.000 0.426 30 I N 0.074 120.643 120.570 -0.002 0.000 2.179 30 I HA -0.262 3.908 4.170 0.000 0.000 0.242 30 I C 2.261 178.377 176.117 -0.002 0.000 1.088 30 I CA 0.846 62.147 61.300 0.001 0.000 1.357 30 I CB -0.336 37.669 38.000 0.008 0.000 1.051 30 I HN 0.046 nan 8.210 nan 0.000 0.409 31 V N 1.202 121.112 119.914 -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 1.829 64.120 62.300 -0.016 0.000 1.027 31 V CB -0.457 31.352 31.823 -0.024 0.000 0.646 31 V HN 0.366 nan 8.190 nan 0.000 0.447 32 L N -0.736 120.479 121.223 -0.013 0.000 2.083 32 L HA -0.183 4.157 4.340 0.000 0.000 0.209 32 L C 2.732 179.594 176.870 -0.014 0.000 1.083 32 L CA 1.298 56.129 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 -0.441 119.353 119.800 -0.010 0.000 2.083 33 Q HA -0.137 4.203 4.340 0.000 0.000 0.198 33 Q C 2.249 178.245 176.000 -0.007 0.000 0.969 33 Q CA 1.176 56.974 55.803 -0.008 0.000 0.838 33 Q CB -0.030 28.705 28.738 -0.005 0.000 0.900 33 Q HN 0.520 nan 8.270 nan 0.000 0.436 34 Q N 0.319 120.116 119.800 -0.004 0.000 2.204 34 Q HA 0.039 4.379 4.340 0.000 0.000 0.198 34 Q C 1.186 177.184 176.000 -0.002 0.000 0.946 34 Q CA 0.342 56.146 55.803 0.001 0.000 0.859 34 Q CB 0.036 28.780 28.738 0.009 0.000 0.946 34 Q HN 0.295 nan 8.270 nan 0.000 0.474 35 S N -1.024 114.670 115.700 -0.011 0.000 2.608 35 S HA 0.403 4.873 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 -0.225 120.060 120.300 -0.025 0.000 2.328 36 Y HA 0.729 5.279 4.550 0.000 0.000 0.336 36 Y C -2.852 172.996 175.900 -0.086 0.000 0.960 36 Y CA -3.247 54.826 58.100 -0.044 0.000 1.134 36 Y CB 0.976 39.417 38.460 -0.033 0.000 1.166 36 Y HN 0.831 nan 8.280 nan 0.000 0.464 37 P HA 0.449 nan 4.420 nan 0.000 0.276 37 P C -0.841 176.327 177.300 -0.220 0.000 1.230 37 P CA 0.249 63.261 63.100 -0.148 0.000 0.776 37 P CB 2.167 33.805 31.700 -0.102 0.000 0.888 38 V N 5.015 124.691 119.914 -0.396 0.000 2.760 38 V HA 0.454 4.574 4.120 0.000 0.000 0.309 38 V C 0.071 175.923 176.094 -0.403 0.000 1.077 38 V CA -0.758 61.260 62.300 -0.469 0.000 0.910 38 V CB 2.431 33.767 31.823 -0.812 0.000 1.008 38 V HN 0.523 nan 8.190 nan 0.000 0.424 39 I N 3.546 124.025 120.570 -0.151 0.000 2.418 39 I HA 0.628 4.798 4.170 0.000 0.000 0.287 39 I C -0.699 175.509 176.117 0.151 0.000 1.008 39 I CA -0.023 61.293 61.300 0.027 0.000 1.104 39 I CB 1.456 39.477 38.000 0.035 0.000 1.264 39 I HN 0.836 nan 8.210 nan 0.000 0.438 40 Q N 6.449 126.430 119.800 0.302 0.000 2.359 40 Q HA 0.311 4.651 4.340 0.000 0.000 0.274 40 Q C -1.378 174.840 176.000 0.363 0.000 1.074 40 Q CA -0.773 55.237 55.803 0.345 0.000 0.810 40 Q CB 2.212 31.154 28.738 0.340 0.000 1.342 40 Q HN 0.735 nan 8.270 nan 0.000 0.427 41 Q N 1.897 121.845 119.800 0.246 0.000 2.337 41 Q HA 0.163 4.503 4.340 0.000 0.000 0.270 41 Q C 0.137 176.138 176.000 0.002 0.000 1.002 41 Q CA 0.157 55.888 55.803 -0.119 0.000 0.888 41 Q CB 0.965 29.550 28.738 -0.255 0.000 1.222 41 Q HN 0.641 nan 8.270 nan 0.000 0.400 42 V N 0.064 119.976 119.914 -0.004 0.000 3.572 42 V HA 0.415 4.535 4.120 0.000 0.000 0.260 42 V C 0.111 176.222 176.094 0.028 0.000 1.324 42 V CA 0.484 62.818 62.300 0.057 0.000 1.068 42 V CB 0.331 32.233 31.823 0.132 0.000 0.837 42 V HN 0.841 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 -1.642 174.910 176.600 -0.081 0.000 1.005 43 E CA -0.309 56.090 56.400 -0.002 0.000 0.816 43 E CB 2.253 32.013 29.700 0.098 0.000 1.220 43 E HN 0.231 nan 8.360 nan 0.000 0.426 44 T N 2.994 117.433 114.554 -0.192 0.000 2.952 44 T HA 0.469 4.819 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 1.704 70.436 68.868 -0.226 0.000 1.078 44 T HN 0.385 nan 8.240 nan 0.000 0.459 45 Q N 0.922 120.229 119.800 -0.822 0.000 2.377 45 Q HA 0.538 4.878 4.340 0.000 0.000 0.279 45 Q C -1.378 174.354 176.000 -0.446 0.000 1.049 45 Q CA -0.796 54.648 55.803 -0.599 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 2.626 117.068 114.554 -0.187 0.000 2.824 46 T HA 0.763 5.113 4.350 0.000 0.000 0.282 46 T C -1.030 173.687 174.700 0.028 0.000 0.993 46 T CA -0.427 61.586 62.100 -0.144 0.000 0.967 46 T CB 0.378 69.168 68.868 -0.131 0.000 0.960 46 T HN 0.448 nan 8.240 nan 0.000 0.441 47 F N -0.047 119.818 119.950 -0.142 0.000 2.685 47 F HA 0.746 5.273 4.527 0.000 0.000 0.315 47 F C -1.385 174.399 175.800 -0.027 0.000 1.126 47 F CA -1.339 56.642 58.000 -0.032 0.000 0.950 47 F CB 1.209 40.267 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 0.184 0.000 2.329 48 D HA 0.428 5.068 4.640 0.000 0.000 0.232 48 D C -2.093 174.362 176.300 0.258 0.000 1.088 48 D CA -2.585 51.470 54.000 0.092 0.000 0.835 48 D CB 2.069 42.933 40.800 0.105 0.000 1.078 48 D HN 0.218 nan 8.370 nan 0.000 0.495 49 P HA -0.100 nan 4.420 nan 0.000 0.220 49 P C 0.895 178.327 177.300 0.219 0.000 1.144 49 P CA 1.059 64.309 63.100 0.250 0.000 0.800 49 P CB 0.279 31.983 31.700 0.008 0.000 0.772 50 A N -0.624 122.310 122.820 0.189 0.000 2.015 50 A HA -0.183 4.137 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 1.595 53.724 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 -0.376 118.404 118.700 0.135 0.000 2.305 51 N HA 0.040 4.780 4.740 0.000 0.000 0.179 51 N C 0.572 176.118 175.510 0.060 0.000 1.019 51 N CA 1.044 54.151 53.050 0.095 0.000 0.869 51 N CB 0.078 38.627 38.487 0.103 0.000 1.000 51 N HN 0.774 nan 8.380 nan 0.000 0.431 52 R N -1.345 119.214 120.500 0.098 0.000 2.634 52 R HA 0.436 4.776 4.340 0.000 0.000 0.263 52 R C -0.542 175.765 176.300 0.010 0.000 1.060 52 R CA -0.517 55.556 56.100 -0.046 0.000 0.898 52 R CB 0.886 31.042 30.300 -0.241 0.000 1.253 52 R HN -0.042 nan 8.270 nan 0.000 0.461 53 S N -0.456 115.204 115.700 -0.068 0.000 2.744 53 S HA 0.186 4.656 4.470 0.000 0.000 0.265 53 S C -0.119 174.559 174.600 0.129 0.000 1.065 53 S CA -0.166 58.110 58.200 0.127 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 2.986 122.792 119.914 -0.179 0.000 2.398 54 V HA 0.660 4.780 4.120 0.000 0.000 0.286 54 V C -1.204 174.620 176.094 -0.450 0.000 1.026 54 V CA -0.427 61.781 62.300 -0.155 0.000 0.868 54 V CB 0.801 32.534 31.823 -0.151 0.000 0.982 54 V HN 0.398 nan 8.190 nan 0.000 0.443 55 F N 1.639 121.519 119.950 -0.116 0.000 2.563 55 F HA 0.539 5.066 4.527 0.000 0.000 0.316 55 F C 0.112 175.833 175.800 -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 2.427 122.857 120.400 0.050 0.000 2.471 56 D HA 0.382 5.022 4.640 0.000 0.000 0.245 56 D C -1.014 175.295 176.300 0.015 0.000 1.116 56 D CA -0.108 53.883 54.000 -0.015 0.000 0.853 56 D CB 2.545 43.313 40.800 -0.054 0.000 1.123 56 D HN 0.107 nan 8.370 nan 0.000 0.540 57 V N 2.177 122.074 119.914 -0.029 0.000 2.439 57 V HA 0.259 4.379 4.120 0.000 0.000 0.282 57 V C 0.603 176.669 176.094 -0.046 0.000 1.039 57 V CA -0.254 62.037 62.300 -0.015 0.000 0.913 57 V CB 1.743 33.533 31.823 -0.056 0.000 0.983 57 V HN 0.461 nan 8.190 nan 0.000 0.460 58 T N 7.208 121.758 114.554 -0.007 0.000 2.853 58 T HA 0.372 4.722 4.350 0.000 0.000 0.317 58 T C -2.130 172.585 174.700 0.026 0.000 1.059 58 T CA -0.773 61.322 62.100 -0.007 0.000 0.954 58 T CB 1.042 69.908 68.868 -0.002 0.000 0.994 58 T HN 0.570 nan 8.240 nan 0.000 0.479 59 P HA 0.459 nan 4.420 nan 0.000 0.275 59 P C -0.534 176.822 177.300 0.094 0.000 1.266 59 P CA -0.651 62.533 63.100 0.139 0.000 0.793 59 P CB 0.684 32.581 31.700 0.328 0.000 1.074 60 A N 0.997 123.861 122.820 0.074 0.000 2.371 60 A HA 0.172 4.492 4.320 0.000 0.000 0.257 60 A C 0.298 177.854 177.584 -0.047 0.000 1.089 60 A CA -0.488 51.544 52.037 -0.009 0.000 0.794 60 A CB -0.700 18.263 19.000 -0.061 0.000 1.029 60 A HN 0.588 nan 8.150 nan 0.000 0.488 61 N N 0.862 119.531 118.700 -0.053 0.000 3.083 61 N HA 0.397 5.137 4.740 0.000 0.000 0.260 61 N C -1.370 174.078 175.510 -0.102 0.000 1.163 61 N CA -0.175 52.845 53.050 -0.051 0.000 1.060 61 N CB 0.646 39.124 38.487 -0.014 0.000 1.345 61 N HN 0.345 nan 8.380 nan 0.000 0.515 62 V N 0.954 120.737 119.914 -0.218 0.000 2.483 62 V HA 0.559 4.679 4.120 0.000 0.000 0.297 62 V C 1.006 176.974 176.094 -0.210 0.000 1.027 62 V CA -0.641 61.502 62.300 -0.262 0.000 0.855 62 V CB 1.049 32.581 31.823 -0.486 0.000 0.995 62 V HN 0.733 nan 8.190 nan 0.000 0.424 63 G N 5.287 114.046 108.800 -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 -0.082 174.807 174.900 -0.018 0.000 1.301 63 G CA 0.503 45.587 45.100 -0.026 0.000 0.974 63 G HN 0.786 nan 8.290 nan 0.000 0.547 64 I N 0.763 121.345 120.570 0.018 0.000 2.304 64 I HA 0.369 4.539 4.170 0.000 0.000 0.291 64 I C 0.400 176.551 176.117 0.056 0.000 1.018 64 I CA -0.689 60.622 61.300 0.019 0.000 1.260 64 I CB 1.550 39.551 38.000 0.001 0.000 1.390 64 I HN 0.295 nan 8.210 nan 0.000 0.475 65 V N 7.609 127.530 119.914 0.012 0.000 2.461 65 V HA 0.150 4.270 4.120 0.000 0.000 0.275 65 V C 0.876 176.919 176.094 -0.084 0.000 1.047 65 V CA -0.220 62.054 62.300 -0.043 0.000 0.955 65 V CB 1.146 32.906 31.823 -0.105 0.000 0.988 65 V HN 0.747 nan 8.190 nan 0.000 0.471 66 K N 2.915 123.271 120.400 -0.074 0.000 2.276 66 K HA 0.472 4.792 4.320 0.000 0.000 0.198 66 K C 0.824 177.358 176.600 -0.111 0.000 1.052 66 K CA 0.716 57.002 56.287 -0.001 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 -0.169 108.350 108.800 -0.468 0.000 2.317 67 G HA2 0.360 4.320 3.960 0.000 0.000 0.293 67 G HA3 0.360 4.320 3.960 0.000 0.000 0.293 67 G C -1.959 172.094 174.900 -1.412 0.000 1.287 67 G CA -1.042 43.438 45.100 -1.033 0.000 0.850 67 G HN -0.013 nan 8.290 nan 0.000 0.515 68 F N -0.481 118.867 119.950 -1.004 0.000 2.547 68 F HA 0.658 5.185 4.527 0.000 0.000 0.316 68 F C -0.246 175.424 175.800 -0.218 0.000 1.121 68 F CA -0.808 56.953 58.000 -0.398 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 4.493 125.979 121.223 0.438 0.000 2.272 69 L HA 0.714 5.054 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 -0.502 54.733 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 0.394 4.514 4.120 0.000 0.000 0.284 70 V C 0.062 176.334 176.094 0.297 0.000 1.018 70 V CA -0.802 61.726 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 4.296 124.790 120.400 0.156 0.000 2.201 71 K HA 0.692 5.012 4.320 0.000 0.000 0.278 71 K C -1.338 175.242 176.600 -0.035 0.000 1.027 71 K CA -0.366 55.746 56.287 -0.291 0.000 0.909 71 K CB 1.538 33.903 32.500 -0.225 0.000 1.062 71 K HN 0.502 nan 8.250 nan 0.000 0.465 72 V N 3.507 123.379 119.914 -0.071 0.000 2.531 72 V HA 0.357 4.477 4.120 0.000 0.000 0.301 72 V C -0.296 175.810 176.094 0.021 0.000 1.034 72 V CA -0.841 61.521 62.300 0.103 0.000 0.865 72 V CB 1.624 33.634 31.823 0.312 0.000 0.995 72 V HN 1.013 nan 8.190 nan 0.000 0.424 73 T N 1.272 115.829 114.554 0.004 0.000 2.924 73 T HA 0.971 5.321 4.350 0.000 0.000 0.291 73 T C -0.488 174.216 174.700 0.006 0.000 1.045 73 T CA -0.471 61.635 62.100 0.010 0.000 1.015 73 T CB 2.344 71.208 68.868 -0.006 0.000 1.103 73 T HN 1.429 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 0.908 5.228 4.320 0.000 0.000 0.293 74 A C -1.062 176.606 177.584 0.140 0.000 1.075 74 A CA -0.756 51.352 52.037 0.120 0.000 0.680 74 A CB 1.185 20.370 19.000 0.309 0.000 1.279 74 A HN 1.721 nan 8.150 nan 0.000 0.411 75 A N 1.117 124.027 122.820 0.149 0.000 2.330 75 A HA 0.773 5.093 4.320 0.000 0.000 0.313 75 A C -0.908 176.742 177.584 0.110 0.000 1.124 75 A CA -0.269 51.824 52.037 0.094 0.000 0.774 75 A CB 0.404 19.431 19.000 0.045 0.000 1.198 75 A HN 0.764 nan 8.150 nan 0.000 0.465 76 I N 1.953 122.534 120.570 0.018 0.000 2.436 76 I HA 0.374 4.544 4.170 0.000 0.000 0.289 76 I C -0.279 175.741 176.117 -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 -0.183 174.358 174.700 -0.265 0.000 0.991 77 T CA -0.560 61.432 62.100 -0.181 0.000 0.979 77 T CB 1.005 69.806 68.868 -0.110 0.000 0.943 77 T HN 0.410 nan 8.240 nan 0.000 0.444 78 N N 2.906 121.459 118.700 -0.245 0.000 2.500 78 N HA 0.139 4.879 4.740 0.000 0.000 0.236 78 N C 0.406 175.831 175.510 -0.142 0.000 1.022 78 N CA -0.455 52.447 53.050 -0.247 0.000 0.935 78 N CB 0.255 38.606 38.487 -0.228 0.000 1.147 78 N HN 0.395 nan 8.380 nan 0.000 0.512 79 N N 1.425 120.047 118.700 -0.130 0.000 2.461 79 N HA -0.085 4.655 4.740 0.000 0.000 0.188 79 N C -0.163 175.313 175.510 -0.057 0.000 1.134 79 N CA 0.082 53.081 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 1.286 176.575 175.328 -0.065 0.000 1.068 80 H CA 0.323 56.321 56.048 -0.084 0.000 1.426 80 H CB 1.029 30.740 29.762 -0.085 0.000 1.410 80 H HN 0.102 nan 8.280 nan 0.000 0.597 81 A N 2.754 125.390 122.820 -0.306 0.000 1.930 81 A HA -0.139 4.181 4.320 0.000 0.000 0.217 81 A C 1.978 179.580 177.584 0.031 0.000 1.175 81 A CA 2.118 54.079 52.037 -0.128 0.000 0.627 81 A CB -0.475 18.415 19.000 -0.184 0.000 0.815 81 A HN 0.872 nan 8.150 nan 0.000 0.443 82 T N -4.832 109.865 114.554 0.237 0.000 3.010 82 T HA 0.194 4.544 4.350 0.000 0.000 0.253 82 T C 0.294 175.076 174.700 0.135 0.000 0.939 82 T CA -0.223 61.983 62.100 0.177 0.000 0.910 82 T CB 0.116 69.061 68.868 0.128 0.000 1.226 82 T HN 0.215 nan 8.240 nan 0.000 0.508 83 E N 1.681 121.961 120.200 0.134 0.000 2.242 83 E HA 0.731 5.081 4.350 0.000 0.000 0.275 83 E C -0.277 176.240 176.600 -0.139 0.000 1.002 83 E CA -0.463 55.846 56.400 -0.151 0.000 0.841 83 E CB 1.954 31.392 29.700 -0.436 0.000 1.109 83 E HN 0.527 nan 8.360 nan 0.000 0.394 84 A N 1.612 124.370 122.820 -0.102 0.000 2.239 84 A HA 0.687 5.007 4.320 0.000 0.000 0.303 84 A C -0.115 177.420 177.584 -0.083 0.000 1.114 84 A CA -0.543 51.445 52.037 -0.081 0.000 0.871 84 A CB 0.761 19.735 19.000 -0.043 0.000 1.201 84 A HN 0.399 nan 8.150 nan 0.000 0.506 85 V N -4.022 115.860 119.914 -0.054 0.000 3.078 85 V HA 0.943 5.063 4.120 0.000 0.000 0.311 85 V C -0.240 175.941 176.094 0.145 0.000 1.138 85 V CA -0.323 61.993 62.300 0.028 0.000 1.007 85 V CB 1.108 32.944 31.823 0.022 0.000 1.045 85 V HN 1.892 nan 8.190 nan 0.000 0.432 86 A N 2.608 125.568 122.820 0.233 0.000 2.413 86 A HA 0.861 5.181 4.320 0.000 0.000 0.307 86 A C -0.581 177.128 177.584 0.208 0.000 1.087 86 A CA -0.987 51.197 52.037 0.245 0.000 0.750 86 A CB 1.491 20.553 19.000 0.103 0.000 1.296 86 A HN 1.089 nan 8.150 nan 0.000 0.423 87 L N 1.829 123.064 121.223 0.021 0.000 2.514 87 L HA 0.163 4.503 4.340 0.000 0.000 0.280 87 L C 1.505 178.279 176.870 -0.161 0.000 1.223 87 L CA 0.074 54.723 54.840 -0.319 0.000 0.864 87 L CB 0.550 42.457 42.059 -0.253 0.000 1.118 87 L HN 1.004 nan 8.230 nan 0.000 0.494 88 T N -1.950 112.484 114.554 -0.200 0.000 2.770 88 T HA 0.079 4.429 4.350 0.000 0.000 0.281 88 T C 0.749 175.373 174.700 -0.125 0.000 0.981 88 T CA -0.758 61.245 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 -0.268 120.033 120.400 -0.166 0.000 2.178 89 D HA -0.003 4.637 4.640 0.000 0.000 0.201 89 D C 1.536 178.001 176.300 0.274 0.000 0.980 89 D CA 1.031 55.029 54.000 -0.005 0.000 0.842 89 D CB -0.225 40.524 40.800 -0.086 0.000 0.948 89 D HN 0.467 nan 8.370 nan 0.000 0.472 90 F N 0.184 120.077 119.950 -0.095 0.000 2.473 90 F HA 0.244 4.771 4.527 0.000 0.000 0.294 90 F C 2.187 177.945 175.800 -0.071 0.000 1.103 90 F CA 0.450 58.430 58.000 -0.032 0.000 1.442 90 F CB -0.943 38.014 39.000 -0.072 0.000 1.097 90 F HN -0.022 nan 8.300 nan 0.000 0.547 91 G N 2.629 111.461 108.800 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 -1.120 173.761 174.900 -0.032 0.000 1.286 91 G CA 0.555 45.603 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 1.652 178.958 177.300 0.011 0.000 1.148 92 P CA 2.403 65.512 63.100 0.015 0.000 0.779 92 P CB -0.393 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 1.861 179.569 177.584 0.207 0.000 1.154 93 A CA 1.056 53.046 52.037 -0.078 0.000 0.679 93 A CB -1.016 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 -0.327 118.497 118.700 0.207 0.000 2.314 94 N HA 0.174 4.914 4.740 0.000 0.000 0.200 94 N C 1.098 176.746 175.510 0.230 0.000 1.135 94 N CA 0.092 53.288 53.050 0.242 0.000 0.835 94 N CB 0.044 38.661 38.487 0.216 0.000 0.989 94 N HN 0.479 nan 8.380 nan 0.000 0.478 95 L N -0.280 121.112 121.223 0.282 0.000 2.141 95 L HA -0.018 4.322 4.340 0.000 0.000 0.209 95 L C 0.351 177.398 176.870 0.296 0.000 1.094 95 L CA 0.825 55.861 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 0.048 120.058 119.914 0.161 0.000 2.370 96 V HA 0.116 4.236 4.120 0.000 0.000 0.283 96 V C 0.559 176.548 176.094 -0.175 0.000 1.023 96 V CA -0.515 61.640 62.300 -0.241 0.000 0.857 96 V CB 1.655 33.020 31.823 -0.762 0.000 0.985 96 V HN 0.189 nan 8.190 nan 0.000 0.443 97 Q N 3.510 123.220 119.800 -0.149 0.000 2.089 97 Q HA 0.208 4.548 4.340 0.000 0.000 0.195 97 Q C 0.550 176.451 176.000 -0.166 0.000 0.963 97 Q CA 1.045 56.805 55.803 -0.072 0.000 0.834 97 Q CB 0.419 29.151 28.738 -0.009 0.000 0.906 97 Q HN 0.588 nan 8.270 nan 0.000 0.452 98 R N -0.556 119.798 120.500 -0.243 0.000 2.668 98 R HA 0.582 4.922 4.340 0.000 0.000 0.272 98 R C -1.430 174.676 176.300 -0.325 0.000 1.019 98 R CA -0.437 55.509 56.100 -0.256 0.000 0.894 98 R CB 2.496 32.698 30.300 -0.162 0.000 1.228 98 R HN -0.158 nan 8.270 nan 0.000 0.460 99 V N 3.625 123.351 119.914 -0.313 0.000 2.588 99 V HA 0.598 4.718 4.120 0.000 0.000 0.304 99 V C -0.860 175.096 176.094 -0.231 0.000 1.042 99 V CA -0.777 61.333 62.300 -0.317 0.000 0.877 99 V CB 1.943 33.544 31.823 -0.370 0.000 0.996 99 V HN 0.538 nan 8.190 nan 0.000 0.425 100 I N 4.651 125.103 120.570 -0.196 0.000 2.569 100 I HA 0.485 4.655 4.170 0.000 0.000 0.290 100 I C -1.140 174.873 176.117 -0.173 0.000 1.088 100 I CA -0.511 60.678 61.300 -0.184 0.000 1.047 100 I CB 2.005 39.930 38.000 -0.126 0.000 1.237 100 I HN 0.648 nan 8.210 nan 0.000 0.421 101 Y N 6.003 126.081 120.300 -0.370 0.000 2.429 101 Y HA 0.718 5.268 4.550 0.000 0.000 0.342 101 Y C -1.733 173.901 175.900 -0.442 0.000 1.004 101 Y CA -0.878 57.031 58.100 -0.319 0.000 1.075 101 Y CB 1.395 39.697 38.460 -0.265 0.000 1.214 101 Y HN 0.471 nan 8.280 nan 0.000 0.455 102 Y N 4.143 123.878 120.300 -0.941 0.000 2.391 102 Y HA 0.295 4.845 4.550 0.000 0.000 0.341 102 Y C -0.263 175.054 175.900 -0.972 0.000 0.965 102 Y CA -1.130 56.597 58.100 -0.621 0.000 1.067 102 Y CB 1.304 39.568 38.460 -0.326 0.000 1.199 102 Y HN 0.720 nan 8.280 nan 0.000 0.450 103 D N 2.469 122.690 120.400 -0.299 0.000 2.433 103 D HA 0.240 4.880 4.640 0.000 0.000 0.255 103 D C -2.192 174.096 176.300 -0.022 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 -0.083 nan 4.420 nan 0.000 0.219 104 P C 0.120 177.439 177.300 0.031 0.000 1.146 104 P CA 1.103 64.218 63.100 0.025 0.000 0.808 104 P CB 0.082 31.808 31.700 0.043 0.000 0.779 105 D N -1.888 118.549 120.400 0.061 0.000 2.328 105 D HA 0.019 4.659 4.640 0.000 0.000 0.226 105 D C 0.331 176.668 176.300 0.061 0.000 1.066 105 D CA 0.189 54.225 54.000 0.059 0.000 0.861 105 D CB -1.033 39.813 40.800 0.077 0.000 0.912 105 D HN 0.209 nan 8.370 nan 0.000 0.521 106 N N 0.370 119.106 118.700 0.060 0.000 2.782 106 N HA -0.245 4.495 4.740 0.000 0.000 0.251 106 N C -0.225 175.403 175.510 0.197 0.000 1.101 106 N CA 0.075 53.170 53.050 0.076 0.000 0.764 106 N CB -0.412 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 1.611 121.529 119.800 0.197 0.000 2.267 107 Q HA 0.268 4.608 4.340 0.000 0.000 0.255 107 Q C -0.241 175.891 176.000 0.220 0.000 0.923 107 Q CA -0.280 55.639 55.803 0.194 0.000 0.925 107 Q CB 0.903 29.724 28.738 0.138 0.000 1.195 107 Q HN 0.260 nan 8.270 nan 0.000 0.417 108 R N 3.727 124.280 120.500 0.089 0.000 2.438 108 R HA 0.193 4.533 4.340 0.000 0.000 0.287 108 R C -0.107 176.166 176.300 -0.044 0.000 1.077 108 R CA 0.062 56.042 56.100 -0.201 0.000 1.034 108 R CB 0.415 30.556 30.300 -0.264 0.000 0.993 108 R HN 0.876 nan 8.270 nan 0.000 0.459 109 H N 1.031 120.017 119.070 -0.140 0.000 4.873 109 H HA 0.149 4.705 4.556 0.000 0.000 0.150 109 H C 0.037 175.262 175.328 -0.173 0.000 1.395 109 H CA -0.461 55.544 56.048 -0.071 0.000 0.838 109 H CB 0.135 29.941 29.762 0.073 0.000 1.471 109 H HN 0.442 nan 8.280 nan 0.000 0.374 110 T N 1.793 116.324 114.554 -0.038 0.000 2.928 110 T HA 0.010 4.360 4.350 0.000 0.000 0.305 110 T C 0.251 174.859 174.700 -0.154 0.000 1.035 110 T CA 0.608 62.608 62.100 -0.167 0.000 1.145 110 T CB 0.241 68.972 68.868 -0.229 0.000 0.963 110 T HN 0.368 nan 8.240 nan 0.000 0.545 111 E N 2.393 122.512 120.200 -0.135 0.000 2.649 111 E HA 0.335 4.685 4.350 0.000 0.000 0.310 111 E C -0.997 175.547 176.600 -0.092 0.000 1.036 111 E CA -0.328 55.999 56.400 -0.120 0.000 0.772 111 E CB 1.100 30.749 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 -0.894 173.649 174.700 -0.263 0.000 1.238 112 T CA -0.172 61.836 62.100 -0.153 0.000 1.020 112 T CB 1.213 70.053 68.868 -0.047 0.000 1.503 112 T HN 0.356 nan 8.240 nan 0.000 0.497 113 S N -0.063 115.395 115.700 -0.403 0.000 2.610 113 S HA 0.494 4.964 4.470 0.000 0.000 0.273 113 S C 1.604 175.895 174.600 -0.516 0.000 1.274 113 S CA 0.015 57.892 58.200 -0.537 0.000 1.023 113 S CB 0.929 63.515 63.200 -1.022 0.000 0.962 113 S HN 1.063 nan 8.310 nan 0.000 0.523 114 G N 1.302 109.873 108.800 -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 1.316 176.178 174.900 -0.064 0.000 1.158 114 G CA 0.778 45.710 45.100 -0.281 0.000 0.771 114 G HN 0.960 nan 8.290 nan 0.000 0.545 115 W N 0.208 121.455 121.300 -0.088 0.000 2.363 115 W HA -0.054 4.606 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 0.876 57.975 57.345 -0.409 0.000 1.260 115 W CB -1.087 28.099 29.460 -0.456 0.000 1.131 115 W HN 0.424 nan 8.180 nan 0.000 0.530 116 H N 1.175 119.829 119.070 -0.693 0.000 2.326 116 H HA -0.178 4.378 4.556 0.000 0.000 0.301 116 H C 2.366 177.569 175.328 -0.209 0.000 1.081 116 H CA 1.768 57.559 56.048 -0.430 0.000 1.334 116 H CB -0.098 29.219 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 -0.208 4.132 4.340 0.000 0.000 0.210 117 L C 2.542 179.307 176.870 -0.174 0.000 1.076 117 L CA 2.431 57.072 54.840 -0.331 0.000 0.749 117 L CB -1.157 40.771 42.059 -0.219 0.000 0.893 117 L HN 0.371 nan 8.230 nan 0.000 0.432 118 H N -1.063 117.921 119.070 -0.143 0.000 2.353 118 H HA -0.183 4.373 4.556 0.000 0.000 0.300 118 H C 1.930 177.233 175.328 -0.042 0.000 1.090 118 H CA 2.224 58.186 56.048 -0.144 0.000 1.327 118 H CB -0.548 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 -0.774 119.082 119.950 -0.157 0.000 2.216 119 F HA -0.154 4.373 4.527 0.000 0.000 0.300 119 F C 2.507 178.254 175.800 -0.089 0.000 1.085 119 F CA 0.536 58.495 58.000 -0.069 0.000 1.326 119 F CB -0.029 38.965 39.000 -0.011 0.000 1.027 119 F HN 0.083 nan 8.300 nan 0.000 0.497 120 V N 0.248 120.162 119.914 -0.000 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 1.950 64.228 62.300 -0.036 0.000 1.049 120 V CB -0.782 30.952 31.823 -0.149 0.000 0.672 120 V HN 0.377 nan 8.190 nan 0.000 0.457 121 N N -0.263 118.281 118.700 -0.260 0.000 2.104 121 N HA -0.184 4.556 4.740 0.000 0.000 0.190 121 N C 1.839 177.201 175.510 -0.246 0.000 1.024 121 N CA 1.791 54.556 53.050 -0.474 0.000 0.853 121 N CB -0.209 37.549 38.487 -1.214 0.000 1.008 121 N HN 0.411 nan 8.380 nan 0.000 0.424 122 T N 0.603 115.046 114.554 -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 1.219 63.286 62.100 -0.055 0.000 1.146 122 T CB -0.341 68.470 68.868 -0.095 0.000 0.865 122 T HN 0.333 nan 8.240 nan 0.000 0.435 123 A N 1.643 124.438 122.820 -0.040 0.000 1.908 123 A HA -0.156 4.164 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 1.691 53.670 52.037 -0.097 0.000 0.627 123 A CB -0.423 18.487 19.000 -0.150 0.000 0.818 123 A HN 0.477 nan 8.150 nan 0.000 0.445 124 K N -0.958 119.440 120.400 -0.004 0.000 2.296 124 K HA -0.084 4.236 4.320 0.000 0.000 0.200 124 K C 2.224 178.812 176.600 -0.021 0.000 1.048 124 K CA 1.138 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 -0.044 119.761 119.800 0.007 0.000 2.212 125 Q HA -0.063 4.277 4.340 0.000 0.000 0.199 125 Q C 0.768 176.759 176.000 -0.016 0.000 0.950 125 Q CA 1.213 57.027 55.803 0.018 0.000 0.863 125 Q CB 0.378 29.179 28.738 0.104 0.000 0.944 125 Q HN 0.389 nan 8.270 nan 0.000 0.465 126 G N -0.521 108.262 108.800 -0.029 0.000 2.141 126 G HA2 -0.143 3.817 3.960 0.000 0.000 0.231 126 G HA3 -0.143 3.817 3.960 0.000 0.000 0.231 126 G C -0.060 174.799 174.900 -0.069 0.000 0.984 126 G CA 0.165 45.238 45.100 -0.044 0.000 0.660 126 G HN 0.832 nan 8.290 nan 0.000 0.525 127 A N -1.322 121.454 122.820 -0.074 0.000 2.567 127 A HA 0.785 5.105 4.320 0.000 0.000 0.291 127 A C -3.151 174.396 177.584 -0.061 0.000 1.048 127 A CA -0.692 51.293 52.037 -0.087 0.000 0.661 127 A CB 0.620 19.581 19.000 -0.066 0.000 1.288 127 A HN 0.171 nan 8.150 nan 0.000 0.424 128 P HA 0.124 nan 4.420 nan 0.000 0.258 128 P C -0.361 177.000 177.300 0.101 0.000 1.172 128 P CA 0.536 63.646 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 5.803 125.748 119.950 -0.008 0.000 2.580 129 F HA -0.058 4.469 4.527 0.000 0.000 0.398 129 F C 1.141 176.960 175.800 0.031 0.000 1.023 129 F CA 0.346 58.353 58.000 0.012 0.000 1.188 129 F CB -0.462 38.566 39.000 0.046 0.000 1.005 129 F HN 0.271 nan 8.300 nan 0.000 0.546 130 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 0.612 177.337 176.870 -0.241 0.000 1.195 130 L CA 0.552 55.069 54.840 -0.538 0.000 0.946 130 L CB -2.381 39.205 42.059 -0.789 0.000 1.891 130 L HN 0.720 nan 8.230 nan 0.000 0.963 131 S N -1.866 113.755 115.700 -0.131 0.000 2.632 131 S HA 0.534 5.004 4.470 0.000 0.000 0.267 131 S C 0.300 174.853 174.600 -0.078 0.000 1.276 131 S CA -0.059 58.100 58.200 -0.067 0.000 0.998 131 S CB 2.197 65.383 63.200 -0.024 0.000 0.953 131 S HN 0.270 nan 8.310 nan 0.000 0.547 132 S N 1.869 117.539 115.700 -0.050 0.000 2.438 132 S HA 0.455 4.925 4.470 0.000 0.000 0.316 132 S C -0.053 174.527 174.600 -0.034 0.000 1.084 132 S CA -1.015 57.159 58.200 -0.043 0.000 1.107 132 S CB -0.385 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 4.301 123.874 119.600 -0.046 0.000 2.242 133 M HA 0.563 5.043 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 -0.443 54.832 55.300 -0.042 0.000 1.160 133 M CB 0.609 33.174 32.600 -0.058 0.000 1.491 133 M HN 0.248 nan 8.290 nan 0.000 0.459 134 V N 2.858 122.759 119.914 -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 -0.010 0.000 0.913 134 V CB 1.130 32.951 31.823 -0.004 0.000 0.983 134 V HN 1.110 nan 8.190 nan 0.000 0.460 135 T N -0.224 114.325 114.554 -0.010 0.000 2.804 135 T HA 0.352 4.702 4.350 0.000 0.000 0.290 135 T C 0.266 174.969 174.700 0.004 0.000 1.099 135 T CA -0.248 61.843 62.100 -0.015 0.000 1.011 135 T CB 1.893 70.737 68.868 -0.039 0.000 1.291 135 T HN 0.621 nan 8.240 nan 0.000 0.523 136 D N -0.161 120.240 120.400 0.002 0.000 2.328 136 D HA 0.079 4.719 4.640 0.000 0.000 0.226 136 D C 0.639 176.954 176.300 0.026 0.000 1.066 136 D CA -0.193 53.814 54.000 0.011 0.000 0.861 136 D CB -0.346 40.457 40.800 0.005 0.000 0.912 136 D HN 0.384 nan 8.370 nan 0.000 0.521 137 S N 1.811 117.535 115.700 0.041 0.000 2.525 137 S HA 0.090 4.560 4.470 0.000 0.000 0.285 137 S C -1.046 173.607 174.600 0.088 0.000 1.283 137 S CA -0.929 57.321 58.200 0.082 0.000 1.072 137 S CB 1.013 64.307 63.200 0.156 0.000 0.867 137 S HN 0.098 nan 8.310 nan 0.000 0.492 138 P HA 0.071 nan 4.420 nan 0.000 0.225 138 P C 0.136 177.454 177.300 0.029 0.000 1.156 138 P CA 0.309 63.432 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 1.110 121.711 120.570 0.052 0.000 2.648 139 I HA -0.022 4.148 4.170 0.000 0.000 0.284 139 I C 1.360 177.424 176.117 -0.087 0.000 1.153 139 I CA 0.285 61.559 61.300 -0.045 0.000 1.426 139 I CB 0.196 38.164 38.000 -0.052 0.000 1.381 139 I HN -0.272 nan 8.210 nan 0.000 0.571 140 K N 6.508 126.800 120.400 -0.179 0.000 3.233 140 K HA 0.078 4.398 4.320 0.000 0.000 0.283 140 K C -0.725 175.781 176.600 -0.157 0.000 1.209 140 K CA 0.007 56.216 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 0.349 120.637 120.300 -0.020 0.000 2.281 141 Y HA 0.319 4.869 4.550 0.000 0.000 0.337 141 Y C 1.542 177.428 175.900 -0.023 0.000 1.304 141 Y CA 0.539 58.624 58.100 -0.025 0.000 1.465 141 Y CB 0.940 39.383 38.460 -0.028 0.000 1.350 141 Y HN 0.428 nan 8.280 nan 0.000 0.575 142 G N 0.160 109.053 108.800 0.156 0.000 2.302 142 G HA2 -0.053 3.907 3.960 0.000 0.000 0.264 142 G HA3 -0.053 3.907 3.960 0.000 0.000 0.264 142 G C -1.775 173.148 174.900 0.039 0.000 1.335 142 G CA -0.828 44.316 45.100 0.074 0.000 0.982 142 G HN 0.531 nan 8.290 nan 0.000 0.473 143 D N 0.576 120.989 120.400 0.023 0.000 2.517 143 D HA 0.453 5.093 4.640 0.000 0.000 0.220 143 D C 1.387 177.694 176.300 0.011 0.000 1.158 143 D CA 0.086 54.093 54.000 0.012 0.000 0.992 143 D CB 0.711 41.519 40.800 0.012 0.000 1.058 143 D HN 0.250 nan 8.370 nan 0.000 0.516 144 V N 2.837 122.756 119.914 0.008 0.000 2.685 144 V HA -0.029 4.091 4.120 0.000 0.000 0.244 144 V C 1.859 177.955 176.094 0.003 0.000 1.054 144 V CA 0.792 63.093 62.300 0.002 0.000 1.076 144 V CB -0.129 31.691 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 0.292 4.772 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 0.071 55.374 55.300 0.006 0.000 1.010 145 M CB -0.591 32.004 32.600 -0.009 0.000 1.457 145 M HN 0.379 nan 8.290 nan 0.000 0.486 146 N N 1.194 119.906 118.700 0.020 0.000 2.699 146 N HA -0.142 4.598 4.740 0.000 0.000 0.256 146 N C 1.029 176.576 175.510 0.063 0.000 0.993 146 N CA 0.274 53.346 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 -0.222 119.712 119.914 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 1.562 63.895 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 0.490 121.110 120.570 0.085 0.000 2.410 148 I HA 0.486 4.656 4.170 0.000 0.000 0.286 148 I C -1.131 175.023 176.117 0.061 0.000 1.009 148 I CA -0.299 61.060 61.300 0.098 0.000 1.111 148 I CB 1.727 39.767 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 -0.319 53.718 54.000 0.062 0.000 0.818 149 D CB 2.321 43.160 40.800 0.065 0.000 1.587 149 D HN 0.675 nan 8.370 nan 0.000 0.463 150 A N 2.574 125.440 122.820 0.077 0.000 2.532 150 A HA 0.625 4.945 4.320 0.000 0.000 0.296 150 A C -2.821 174.841 177.584 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 0.433 nan 8.150 nan 0.000 0.396 151 P HA 0.313 nan 4.420 nan 0.000 0.271 151 P C 0.976 178.403 177.300 0.212 0.000 1.216 151 P CA 0.445 63.639 63.100 0.157 0.000 0.771 151 P CB 1.324 33.098 31.700 0.123 0.000 0.864 152 A N 3.502 126.404 122.820 0.136 0.000 1.978 152 A HA -0.026 4.294 4.320 0.000 0.000 0.220 152 A C 1.100 178.799 177.584 0.192 0.000 1.170 152 A CA 1.867 53.978 52.037 0.123 0.000 0.636 152 A CB -0.923 18.121 19.000 0.073 0.000 0.810 152 A HN 0.736 nan 8.150 nan 0.000 0.448 153 T N -3.716 110.945 114.554 0.179 0.000 2.883 153 T HA 0.678 5.028 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 61.564 62.100 0.150 0.000 1.007 153 T CB 1.514 70.423 68.868 0.069 0.000 1.186 153 T HN 0.176 nan 8.240 nan 0.000 0.499 154 I N 1.699 122.221 120.570 -0.080 0.000 2.439 154 I HA 0.577 4.747 4.170 0.000 0.000 0.283 154 I C 0.662 176.701 176.117 -0.130 0.000 1.023 154 I CA -1.143 60.049 61.300 -0.179 0.000 1.100 154 I CB 1.467 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 0.700 5.020 4.320 0.000 0.000 0.255 155 A C 0.625 178.169 177.584 -0.066 0.000 1.099 155 A CA -0.245 51.757 52.037 -0.059 0.000 0.801 155 A CB 0.394 19.373 19.000 -0.035 0.000 1.062 155 A HN 0.836 nan 8.150 nan 0.000 0.496 156 A N -0.357 122.440 122.820 -0.037 0.000 2.548 156 A HA 0.467 4.787 4.320 0.000 0.000 0.247 156 A C 1.600 179.166 177.584 -0.030 0.000 1.067 156 A CA 0.857 52.886 52.037 -0.014 0.000 0.757 156 A CB -1.090 17.927 19.000 0.029 0.000 0.996 156 A HN 2.736 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 0.580 175.446 174.900 -0.058 0.000 0.982 157 G CA 0.592 45.663 45.100 -0.049 0.000 0.632 157 G HN 2.159 nan 8.290 nan 0.000 0.529 158 A N -0.493 122.285 122.820 -0.071 0.000 2.264 158 A HA 0.845 5.165 4.320 0.000 0.000 0.304 158 A C 0.276 177.803 177.584 -0.096 0.000 1.100 158 A CA 0.703 52.696 52.037 -0.072 0.000 0.839 158 A CB 1.029 19.988 19.000 -0.067 0.000 1.121 158 A HN 0.716 nan 8.150 nan 0.000 0.496 159 T N 0.512 115.020 114.554 -0.076 0.000 2.812 159 T HA 0.618 4.968 4.350 0.000 0.000 0.282 159 T C 0.167 174.830 174.700 -0.063 0.000 0.990 159 T CA 0.054 62.107 62.100 -0.079 0.000 0.960 159 T CB 1.556 70.395 68.868 -0.049 0.000 0.948 159 T HN 1.043 nan 8.240 nan 0.000 0.438 160 G N 1.850 110.603 108.800 -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 -0.949 173.965 174.900 0.022 0.000 1.168 160 G CA -0.602 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 0.959 121.190 120.200 0.051 0.000 2.171 161 E HA 0.446 4.796 4.350 0.000 0.000 0.271 161 E C -0.386 176.274 176.600 0.099 0.000 0.916 161 E CA -0.400 56.041 56.400 0.068 0.000 0.774 161 E CB 2.376 32.105 29.700 0.048 0.000 1.128 161 E HN 0.313 nan 8.360 nan 0.000 0.403 162 L N 1.011 122.305 121.223 0.118 0.000 2.341 162 L HA 0.666 5.006 4.340 0.000 0.000 0.267 162 L C -0.063 176.867 176.870 0.099 0.000 1.009 162 L CA -0.886 54.031 54.840 0.128 0.000 0.819 162 L CB 2.061 44.227 42.059 0.179 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 0.672 5.022 4.350 0.000 0.000 0.297 163 T C -0.829 173.910 174.700 0.066 0.000 1.013 163 T CA -0.426 61.717 62.100 0.071 0.000 0.990 163 T CB 2.232 71.164 68.868 0.106 0.000 1.023 163 T HN 0.495 nan 8.240 nan 0.000 0.447 164 M N 3.046 122.649 119.600 0.005 0.000 2.484 164 M HA 0.689 5.169 4.480 0.000 0.000 0.289 164 M C -2.389 173.844 176.300 -0.112 0.000 1.206 164 M CA -0.735 54.545 55.300 -0.035 0.000 0.892 164 M CB 1.748 34.300 32.600 -0.080 0.000 1.712 164 M HN 0.630 nan 8.290 nan 0.000 0.462 165 Y N 2.568 122.823 120.300 -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 -0.348 57.817 58.100 0.109 0.000 1.033 165 Y CB 2.085 40.664 38.460 0.199 0.000 1.245 165 Y HN 0.619 nan 8.280 nan 0.000 0.455 166 Y N 1.332 121.918 120.300 0.477 0.000 2.477 166 Y HA 0.268 4.818 4.550 0.000 0.000 0.347 166 Y C -0.944 175.179 175.900 0.373 0.000 0.981 166 Y CA -1.505 56.779 58.100 0.308 0.000 1.033 166 Y CB 1.958 40.477 38.460 0.098 0.000 1.245 166 Y HN 0.644 nan 8.280 nan 0.000 0.455 167 W N 5.186 126.584 121.300 0.164 0.000 2.329 167 W HA 0.653 5.313 4.660 0.000 0.000 0.312 167 W C -1.835 174.710 176.519 0.044 0.000 1.054 167 W CA -1.002 56.426 57.345 0.138 0.000 1.245 167 W CB 1.401 30.906 29.460 0.075 0.000 1.255 167 W HN 0.302 nan 8.180 nan 0.000 0.436 168 V N 9.451 129.069 119.914 -0.495 0.000 2.334 168 V HA 0.182 4.302 4.120 0.000 0.000 0.267 168 V C -1.593 174.008 176.094 -0.822 0.000 1.040 168 V CA -1.578 60.442 62.300 -0.467 0.000 0.866 168 V CB 0.908 32.577 31.823 -0.256 0.000 1.019 168 V HN 0.365 nan 8.190 nan 0.000 0.468 169 P HA 0.371 nan 4.420 nan 0.000 0.284 169 P C 0.069 177.245 177.300 -0.207 0.000 1.253 169 P CA -0.276 62.636 63.100 -0.314 0.000 0.800 169 P CB 2.441 34.259 31.700 0.196 0.000 0.961 170 L N 1.484 122.640 121.223 -0.111 0.000 2.590 170 L HA 0.317 4.657 4.340 0.000 0.000 0.181 170 L C 1.386 178.393 176.870 0.228 0.000 1.134 170 L CA 0.119 54.917 54.840 -0.069 0.000 0.850 170 L CB -0.837 41.062 42.059 -0.267 0.000 1.172 170 L HN 0.325 nan 8.230 nan 0.000 0.498 171 A N -0.932 122.001 122.820 0.188 0.000 2.407 171 A HA -0.012 4.308 4.320 0.000 0.000 0.248 171 A C 0.545 178.320 177.584 0.319 0.000 1.082 171 A CA -0.000 52.173 52.037 0.228 0.000 0.785 171 A CB -0.015 19.077 19.000 0.153 0.000 1.020 171 A HN 0.360 nan 8.150 nan 0.000 0.489 172 Y N 2.219 122.541 120.300 0.037 0.000 2.181 172 Y HA -0.029 4.521 4.550 0.000 0.000 0.288 172 Y C 1.226 177.112 175.900 -0.024 0.000 1.146 172 Y CA 1.735 59.684 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 0.307 174.909 174.600 0.004 0.000 1.186 173 S CA -0.647 57.504 58.200 -0.080 0.000 0.836 173 S CB 1.096 64.222 63.200 -0.123 0.000 1.186 173 S HN 0.077 nan 8.310 nan 0.000 0.499 174 E N 1.111 121.284 120.200 -0.045 0.000 2.274 174 E HA -0.006 4.344 4.350 0.000 0.000 0.194 174 E C 1.681 178.274 176.600 -0.011 0.000 0.996 174 E CA 1.826 58.204 56.400 -0.037 0.000 0.840 174 E CB -0.325 29.324 29.700 -0.085 0.000 0.772 174 E HN 0.849 nan 8.360 nan 0.000 0.491 175 T N -2.475 112.080 114.554 0.003 0.000 2.985 175 T HA 0.058 4.408 4.350 0.000 0.000 0.254 175 T C 0.419 175.139 174.700 0.035 0.000 1.021 175 T CA -0.314 61.794 62.100 0.013 0.000 0.957 175 T CB 0.434 69.307 68.868 0.008 0.000 1.047 175 T HN -0.209 nan 8.240 nan 0.000 0.511 176 D N 1.222 121.665 120.400 0.071 0.000 2.461 176 D HA 0.307 4.947 4.640 0.000 0.000 0.240 176 D C 0.673 177.021 176.300 0.080 0.000 1.094 176 D CA -0.679 53.373 54.000 0.087 0.000 0.868 176 D CB 0.944 41.859 40.800 0.192 0.000 1.062 176 D HN 0.213 nan 8.370 nan 0.000 0.530 177 L N 2.435 123.676 121.223 0.030 0.000 2.627 177 L HA 0.071 4.411 4.340 0.000 0.000 0.233 177 L C 0.778 177.651 176.870 0.004 0.000 1.144 177 L CA 0.215 55.072 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 0.786 115.306 114.554 -0.057 0.000 2.871 178 T HA 0.226 4.576 4.350 0.000 0.000 0.296 178 T C 1.247 175.928 174.700 -0.032 0.000 0.998 178 T CA 1.084 63.069 62.100 -0.193 0.000 1.162 178 T CB 0.868 69.394 68.868 -0.570 0.000 0.947 178 T HN 0.638 nan 8.240 nan 0.000 0.536 179 G N 2.128 110.940 108.800 0.020 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 0.390 175.402 174.900 0.187 0.000 0.997 179 G CA -0.021 45.199 45.100 0.199 0.000 0.623 179 G HN 1.161 nan 8.290 nan 0.000 0.514 180 A N -0.403 122.482 122.820 0.109 0.000 2.429 180 A HA 0.612 4.932 4.320 0.000 0.000 0.242 180 A C 0.394 178.020 177.584 0.070 0.000 1.088 180 A CA 0.915 52.991 52.037 0.065 0.000 0.784 180 A CB 0.785 19.811 19.000 0.044 0.000 1.038 180 A HN 1.230 nan 8.150 nan 0.000 0.501 181 V N 1.909 121.843 119.914 0.032 0.000 2.487 181 V HA 0.301 4.421 4.120 0.000 0.000 0.298 181 V C -0.552 175.569 176.094 0.046 0.000 1.028 181 V CA -0.514 61.822 62.300 0.060 0.000 0.860 181 V CB 1.423 33.279 31.823 0.055 0.000 0.991 181 V HN 0.781 nan 8.190 nan 0.000 0.427 182 L N 5.452 126.708 121.223 0.054 0.000 2.295 182 L HA 0.664 5.004 4.340 0.000 0.000 0.288 182 L C 0.575 177.472 176.870 0.045 0.000 1.079 182 L CA 0.176 55.037 54.840 0.034 0.000 0.830 182 L CB 0.683 42.763 42.059 0.036 0.000 1.200 182 L HN 0.743 nan 8.230 nan 0.000 0.438 183 A N 4.827 127.663 122.820 0.027 0.000 2.937 183 A HA 0.417 4.737 4.320 0.000 0.000 0.338 183 A C 0.340 177.931 177.584 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 0.492 119.211 118.700 0.032 0.000 2.193 184 N HA 0.007 4.747 4.740 0.000 0.000 0.210 184 N C -0.342 175.194 175.510 0.043 0.000 1.215 184 N CA 0.136 53.211 53.050 0.042 0.000 0.901 184 N CB -0.007 38.527 38.487 0.079 0.000 1.060 184 N HN 0.152 nan 8.380 nan 0.000 0.508 185 V N 3.209 123.146 119.914 0.038 0.000 2.400 185 V HA 0.185 4.305 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 -0.816 61.504 62.300 0.032 0.000 1.077 185 V CB -0.324 31.517 31.823 0.031 0.000 1.054 185 V HN 0.073 nan 8.190 nan 0.000 0.477 186 P HA 0.405 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 0.713 32.421 31.700 0.014 0.000 0.848 187 Q N -0.225 119.578 119.800 0.004 0.000 2.376 187 Q HA -0.195 4.145 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 1.495 57.298 55.803 -0.001 0.000 1.346 187 Q CB -2.876 25.862 28.738 -0.000 0.000 1.243 187 Q HN 0.780 nan 8.270 nan 0.000 0.930 188 S N 0.971 116.671 115.700 -0.000 0.000 2.516 188 S HA 0.599 5.069 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 0.059 58.257 58.200 -0.004 0.000 1.153 188 S CB 0.146 63.350 63.200 0.006 0.000 1.009 188 S HN 0.958 nan 8.310 nan 0.000 0.479 189 K N 1.516 121.905 120.400 -0.018 0.000 2.154 189 K HA 0.514 4.834 4.320 0.000 0.000 0.264 189 K C -0.171 176.406 176.600 -0.039 0.000 1.008 189 K CA -0.602 55.673 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 0.767 120.550 119.800 -0.028 0.000 2.237 190 Q HA 0.310 4.650 4.340 0.000 0.000 0.219 190 Q C -0.644 175.277 176.000 -0.131 0.000 0.999 190 Q CA -0.834 54.914 55.803 -0.092 0.000 0.959 190 Q CB 1.101 29.867 28.738 0.047 0.000 1.173 190 Q HN 0.570 nan 8.270 nan 0.000 0.527 191 R N 0.569 120.918 120.500 -0.252 0.000 2.522 191 R HA 0.420 4.760 4.340 0.000 0.000 0.283 191 R C -2.196 173.974 176.300 -0.216 0.000 1.074 191 R CA -0.644 55.353 56.100 -0.172 0.000 0.925 191 R CB 1.001 31.234 30.300 -0.112 0.000 1.205 191 R HN 0.504 nan 8.270 nan 0.000 0.436 192 L N 4.183 125.291 121.223 -0.190 0.000 2.318 192 L HA 0.486 4.826 4.340 0.000 0.000 0.277 192 L C -0.999 175.759 176.870 -0.186 0.000 1.008 192 L CA -0.198 54.505 54.840 -0.229 0.000 0.846 192 L CB 1.224 43.003 42.059 -0.467 0.000 1.220 192 L HN 0.591 nan 8.230 nan 0.000 0.423 193 K N 5.437 125.752 120.400 -0.141 0.000 2.183 193 K HA 0.620 4.940 4.320 0.000 0.000 0.274 193 K C -1.521 174.944 176.600 -0.225 0.000 1.009 193 K CA -0.498 55.709 56.287 -0.132 0.000 0.888 193 K CB 0.739 33.206 32.500 -0.056 0.000 1.078 193 K HN 0.690 nan 8.250 nan 0.000 0.459 194 L N 4.273 125.339 121.223 -0.262 0.000 2.349 194 L HA 0.371 4.711 4.340 0.000 0.000 0.278 194 L C -0.582 176.051 176.870 -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 43.535 42.059 -0.738 0.000 1.243 194 L HN 0.618 nan 8.230 nan 0.000 0.412 195 E N 3.682 123.640 120.200 -0.403 0.000 2.073 195 E HA 0.371 4.721 4.350 0.000 0.000 0.269 195 E C -1.027 175.416 176.600 -0.262 0.000 0.917 195 E CA -0.446 55.830 56.400 -0.207 0.000 0.757 195 E CB 1.285 30.904 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 1.176 177.001 175.800 0.042 0.000 1.176 196 F CA -0.638 57.388 58.000 0.044 0.000 1.142 196 F CB 0.575 39.682 39.000 0.178 0.000 1.275 196 F HN 0.380 nan 8.300 nan 0.000 0.544 197 A N 1.535 124.510 122.820 0.258 0.000 2.386 197 A HA 0.446 4.766 4.320 0.000 0.000 0.246 197 A C -0.310 177.339 177.584 0.109 0.000 1.089 197 A CA -0.148 51.992 52.037 0.173 0.000 0.790 197 A CB -0.081 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 -1.064 117.743 118.700 0.180 0.000 3.316 198 N HA 0.217 4.957 4.740 0.000 0.000 0.300 198 N C -0.202 175.536 175.510 0.381 0.000 1.567 198 N CA -0.732 52.450 53.050 0.220 0.000 0.821 198 N CB 0.260 38.856 38.487 0.181 0.000 1.748 198 N HN 0.295 nan 8.380 nan 0.000 0.603 199 N N -0.535 118.413 118.700 0.414 0.000 2.520 199 N HA -0.030 4.710 4.740 0.000 0.000 0.185 199 N C -0.061 175.631 175.510 0.304 0.000 1.068 199 N CA 0.666 53.986 53.050 0.449 0.000 0.911 199 N CB -0.524 38.216 38.487 0.421 0.000 0.961 199 N HN 0.564 nan 8.380 nan 0.000 0.446 200 N N -0.862 117.957 118.700 0.200 0.000 2.356 200 N HA -0.021 4.719 4.740 0.000 0.000 0.178 200 N C 1.464 177.035 175.510 0.102 0.000 1.075 200 N CA 0.733 53.871 53.050 0.148 0.000 0.889 200 N CB 0.417 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 -3.104 111.493 114.554 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 -0.052 0.000 1.034 201 T CA 0.114 62.238 62.100 0.040 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 0.772 123.451 122.820 -0.234 0.000 2.119 202 A HA 0.431 4.751 4.320 0.000 0.000 0.216 202 A C 0.312 177.473 177.584 -0.706 0.000 1.152 202 A CA 0.114 51.805 52.037 -0.576 0.000 0.708 202 A CB -0.608 17.831 19.000 -0.935 0.000 0.805 202 A HN 0.601 nan 8.150 nan 0.000 0.460 203 F N -0.509 119.501 119.950 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 -0.792 57.249 58.000 0.069 0.000 0.962 203 F CB 1.659 40.679 39.000 0.033 0.000 1.171 203 F HN 0.066 nan 8.300 nan 0.000 0.436 204 A N 2.370 125.308 122.820 0.196 0.000 2.304 204 A HA 0.848 5.168 4.320 0.000 0.000 0.323 204 A C -0.101 177.541 177.584 0.096 0.000 1.195 204 A CA -0.558 51.547 52.037 0.113 0.000 0.826 204 A CB 0.657 19.693 19.000 0.059 0.000 1.184 204 A HN 0.897 nan 8.150 nan 0.000 0.496 205 A N 1.765 124.629 122.820 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 -0.303 51.761 52.037 0.045 0.000 0.797 205 A CB -0.027 18.998 19.000 0.040 0.000 1.047 205 A HN 1.176 nan 8.150 nan 0.000 0.494 206 V N 1.055 120.975 119.914 0.011 0.000 2.694 206 V HA 0.369 4.489 4.120 0.000 0.000 0.306 206 V C 1.715 177.813 176.094 0.007 0.000 1.054 206 V CA 1.820 64.123 62.300 0.005 0.000 1.161 206 V CB 0.048 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 3.210 112.013 108.800 0.006 0.000 2.253 207 G HA2 -0.157 3.803 3.960 0.000 0.000 0.251 207 G HA3 -0.157 3.803 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 0.329 45.431 45.100 0.002 0.000 0.621 207 G HN 1.516 nan 8.290 nan 0.000 0.524 208 A N -0.143 122.687 122.820 0.017 0.000 2.287 208 A HA 0.642 4.962 4.320 0.000 0.000 0.273 208 A C 0.525 178.126 177.584 0.027 0.000 1.091 208 A CA 0.186 52.237 52.037 0.023 0.000 0.817 208 A CB 0.350 19.371 19.000 0.035 0.000 1.069 208 A HN 0.552 nan 8.150 nan 0.000 0.492 209 N N 1.062 119.781 118.700 0.033 0.000 2.452 209 N HA 0.142 4.882 4.740 0.000 0.000 0.266 209 N C -1.686 173.846 175.510 0.037 0.000 1.175 209 N CA -1.453 51.630 53.050 0.056 0.000 0.945 209 N CB 1.008 39.529 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 1.579 178.710 177.300 -0.281 0.000 1.248 210 P CA -0.099 62.934 63.100 -0.113 0.000 0.807 210 P CB 0.491 32.103 31.700 -0.146 0.000 1.150 211 L N 1.659 122.724 121.223 -0.265 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 -0.322 0.000 1.084 211 L CA 2.233 56.796 54.840 -0.460 0.000 0.791 211 L CB -0.914 41.095 42.059 -0.084 0.000 0.898 211 L HN -0.088 nan 8.230 nan 0.000 0.440 212 E N -0.142 120.023 120.200 -0.059 0.000 2.474 212 E HA 0.275 4.625 4.350 0.000 0.000 0.195 212 E C 0.734 177.362 176.600 0.047 0.000 1.039 212 E CA 0.578 57.028 56.400 0.084 0.000 0.881 212 E CB -0.094 29.686 29.700 0.134 0.000 0.970 212 E HN 0.578 nan 8.360 nan 0.000 0.486 213 A N 0.872 123.672 122.820 -0.034 0.000 2.271 213 A HA 0.487 4.807 4.320 0.000 0.000 0.288 213 A C 1.118 178.671 177.584 -0.052 0.000 1.094 213 A CA -0.432 51.582 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 -0.061 0.000 3.039 214 I HA 0.115 4.285 4.170 0.000 0.000 0.270 214 I C -0.349 175.587 176.117 -0.301 0.000 1.150 214 I CA 0.669 61.898 61.300 -0.118 0.000 1.448 214 I CB -0.011 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 0.557 5.107 4.550 0.000 0.000 0.347 215 Y C -0.251 175.715 175.900 0.109 0.000 0.987 215 Y CA -0.721 57.449 58.100 0.116 0.000 1.044 215 Y CB 1.789 40.366 38.460 0.196 0.000 1.245 215 Y HN -0.058 nan 8.280 nan 0.000 0.461 216 Q N 1.515 121.439 119.800 0.206 0.000 2.359 216 Q HA 0.761 5.101 4.340 0.000 0.000 0.274 216 Q C -1.006 175.050 176.000 0.092 0.000 1.074 216 Q CA -0.630 55.246 55.803 0.122 0.000 0.810 216 Q CB 2.615 31.381 28.738 0.047 0.000 1.342 216 Q HN 0.963 nan 8.270 nan 0.000 0.427 217 G N 0.435 109.265 108.800 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 0.367 4.687 4.320 0.000 0.000 0.216 218 A C 2.156 179.520 177.584 -0.367 0.000 1.154 218 A CA 2.536 54.467 52.037 -0.177 0.000 0.701 218 A CB -0.372 18.527 19.000 -0.167 0.000 0.789 218 A HN 1.935 nan 8.150 nan 0.000 0.465 219 G N -1.714 106.875 108.800 -0.351 0.000 3.233 219 G HA2 0.339 4.299 3.960 0.000 0.000 0.234 219 G HA3 0.339 4.299 3.960 0.000 0.000 0.234 219 G C 1.301 176.100 174.900 -0.169 0.000 1.137 219 G CA 0.835 45.668 45.100 -0.445 0.000 0.763 219 G HN 0.580 nan 8.290 nan 0.000 0.549 220 A N 1.505 124.262 122.820 -0.105 0.000 1.917 220 A HA 0.066 4.386 4.320 0.000 0.000 0.219 220 A C 2.752 180.319 177.584 -0.029 0.000 1.182 220 A CA 2.326 54.340 52.037 -0.037 0.000 0.633 220 A CB -0.729 18.316 19.000 0.076 0.000 0.819 220 A HN 0.825 nan 8.150 nan 0.000 0.448 221 A N -0.731 122.104 122.820 0.024 0.000 2.024 221 A HA -0.146 4.174 4.320 0.000 0.000 0.220 221 A C 1.359 178.952 177.584 0.015 0.000 1.164 221 A CA 1.899 53.967 52.037 0.051 0.000 0.643 221 A CB -0.397 18.648 19.000 0.074 0.000 0.806 221 A HN 0.450 nan 8.150 nan 0.000 0.451 222 D N -1.468 118.931 120.400 -0.001 0.000 2.363 222 D HA 0.187 4.827 4.640 0.000 0.000 0.214 222 D C -0.157 176.025 176.300 -0.196 0.000 1.093 222 D CA -0.129 53.841 54.000 -0.050 0.000 0.837 222 D CB -0.210 40.597 40.800 0.011 0.000 0.948 222 D HN 0.311 nan 8.370 nan 0.000 0.507 223 C N 1.765 120.824 119.300 -0.400 0.000 2.539 223 C HA 0.557 5.017 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 57.986 59.018 -0.811 0.000 2.250 223 C CB 0.145 26.945 27.740 -1.567 0.000 2.584 223 C HN 0.384 nan 8.230 nan 0.000 0.589 224 E N 0.987 120.840 120.200 -0.578 0.000 2.390 224 E HA 0.485 4.835 4.350 0.000 0.000 0.280 224 E C -1.703 174.882 176.600 -0.025 0.000 0.992 224 E CA -0.662 55.664 56.400 -0.123 0.000 0.790 224 E CB 0.685 30.378 29.700 -0.011 0.000 1.248 224 E HN 0.425 nan 8.360 nan 0.000 0.447 225 F N 1.723 121.807 119.950 0.223 0.000 2.412 225 F HA 0.176 4.703 4.527 0.000 0.000 0.348 225 F C 1.616 177.443 175.800 0.044 0.000 1.102 225 F CA -0.181 57.906 58.000 0.146 0.000 1.196 225 F CB 1.195 40.266 39.000 0.117 0.000 1.144 225 F HN 0.541 nan 8.300 nan 0.000 0.541 226 E N 1.711 122.028 120.200 0.196 0.000 2.122 226 E HA -0.022 4.328 4.350 0.000 0.000 0.190 226 E C 0.010 176.646 176.600 0.059 0.000 0.977 226 E CA 0.760 57.214 56.400 0.090 0.000 0.820 226 E CB 0.084 29.809 29.700 0.042 0.000 0.770 226 E HN 0.824 nan 8.360 nan 0.000 0.462 227 E N -0.967 119.261 120.200 0.046 0.000 2.403 227 E HA 0.513 4.863 4.350 0.000 0.000 0.280 227 E C -1.077 175.363 176.600 -0.266 0.000 1.101 227 E CA -0.540 55.774 56.400 -0.143 0.000 0.856 227 E CB 0.887 30.504 29.700 -0.137 0.000 1.303 227 E HN -0.130 nan 8.360 nan 0.000 0.441 228 I N 0.887 121.046 120.570 -0.685 0.000 2.686 228 I HA 0.496 4.666 4.170 0.000 0.000 0.295 228 I C -0.995 174.650 176.117 -0.787 0.000 1.114 228 I CA -0.845 59.980 61.300 -0.792 0.000 1.038 228 I CB 2.390 39.635 38.000 -1.259 0.000 1.238 228 I HN 0.530 nan 8.210 nan 0.000 0.420 229 S N 3.818 119.270 115.700 -0.413 0.000 2.536 229 S HA 0.723 5.193 4.470 0.000 0.000 0.287 229 S C -1.479 173.039 174.600 -0.138 0.000 1.101 229 S CA -0.601 57.425 58.200 -0.290 0.000 0.950 229 S CB 1.967 65.047 63.200 -0.200 0.000 1.056 229 S HN 0.524 nan 8.310 nan 0.000 0.481 230 Y N -1.063 119.141 120.300 -0.160 0.000 2.553 230 Y HA 0.865 5.415 4.550 0.000 0.000 0.347 230 Y C -0.909 174.958 175.900 -0.054 0.000 1.019 230 Y CA -0.875 57.188 58.100 -0.063 0.000 1.032 230 Y CB 1.181 39.659 38.460 0.030 0.000 1.284 230 Y HN 0.425 nan 8.280 nan 0.000 0.466 231 T N 2.928 117.594 114.554 0.188 0.000 2.928 231 T HA 0.501 4.851 4.350 0.000 0.000 0.296 231 T C -1.453 173.341 174.700 0.156 0.000 1.000 231 T CA -0.649 61.479 62.100 0.047 0.000 0.989 231 T CB 1.418 70.254 68.868 -0.054 0.000 1.005 231 T HN 0.623 nan 8.240 nan 0.000 0.442 232 V N 4.278 124.265 119.914 0.121 0.000 2.370 232 V HA 0.452 4.572 4.120 0.000 0.000 0.279 232 V C -1.055 175.080 176.094 0.068 0.000 1.029 232 V CA -0.723 61.683 62.300 0.178 0.000 0.870 232 V CB 0.591 32.521 31.823 0.179 0.000 0.984 232 V HN 0.809 nan 8.190 nan 0.000 0.451 233 Y N 3.158 123.638 120.300 0.300 0.000 2.341 233 Y HA 0.495 5.045 4.550 0.000 0.000 0.337 233 Y C 0.328 176.407 175.900 0.298 0.000 1.014 233 Y CA -0.303 57.964 58.100 0.278 0.000 1.111 233 Y CB 1.687 40.307 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 0.444 4.784 4.340 0.000 0.000 0.259 234 Q C -0.925 175.204 176.000 0.214 0.000 0.941 234 Q CA -0.575 55.342 55.803 0.190 0.000 0.912 234 Q CB 1.361 30.240 28.738 0.235 0.000 1.244 234 Q HN 0.656 nan 8.270 nan 0.000 0.441 235 S N 4.208 119.942 115.700 0.056 0.000 2.437 235 S HA 0.648 5.118 4.470 0.000 0.000 0.305 235 S C -1.376 173.301 174.600 0.128 0.000 1.109 235 S CA -0.348 57.931 58.200 0.130 0.000 1.099 235 S CB 0.270 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 1.960 122.251 120.300 -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 39.296 38.460 -0.043 0.000 1.298 236 Y HN 0.413 nan 8.280 nan 0.000 0.459 237 L N 2.420 123.739 121.223 0.160 0.000 2.313 237 L HA 0.468 4.808 4.340 0.000 0.000 0.283 237 L C -0.916 176.046 176.870 0.153 0.000 1.013 237 L CA -0.543 54.328 54.840 0.051 0.000 0.816 237 L CB 1.393 43.465 42.059 0.020 0.000 1.236 237 L HN 0.677 nan 8.230 nan 0.000 0.419 238 D N 1.625 122.077 120.400 0.087 0.000 2.494 238 D HA 0.235 4.875 4.640 0.000 0.000 0.259 238 D C -0.264 176.066 176.300 0.050 0.000 1.109 238 D CA 0.041 54.122 54.000 0.136 0.000 1.040 238 D CB 1.096 41.998 40.800 0.169 0.000 1.175 238 D HN 0.311 nan 8.370 nan 0.000 0.584 239 Q N -0.054 119.781 119.800 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 -1.939 26.822 28.738 0.038 0.000 1.151 239 Q HN 0.453 nan 8.270 nan 0.000 0.417 240 L N 1.999 123.192 121.223 -0.049 0.000 2.490 240 L HA 0.122 4.462 4.340 0.000 0.000 0.274 240 L C -1.047 175.810 176.870 -0.020 0.000 1.201 240 L CA -1.166 53.583 54.840 -0.152 0.000 0.869 240 L CB -0.189 41.565 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 -0.831 176.586 177.300 0.194 0.000 1.216 241 P CA -0.168 62.983 63.100 0.085 0.000 0.771 241 P CB 1.332 33.058 31.700 0.044 0.000 0.864 242 V N 2.497 122.525 119.914 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 1.683 33.574 31.823 0.113 0.000 1.004 242 V HN 0.890 nan 8.190 nan 0.000 0.444 243 G N 1.231 110.073 108.800 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 0.572 175.484 174.900 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 -1.866 117.944 119.800 0.016 0.000 2.084 244 Q HA -0.083 4.257 4.340 0.000 0.000 0.202 244 Q C 2.127 178.128 176.000 0.003 0.000 0.978 244 Q CA 2.415 58.222 55.803 0.007 0.000 0.844 244 Q CB -1.606 27.137 28.738 0.008 0.000 0.898 244 Q HN 1.296 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 1.290 176.803 175.510 0.004 0.000 1.141 245 N CA 0.972 54.027 53.050 0.007 0.000 0.830 245 N CB -0.192 38.304 38.487 0.016 0.000 1.008 245 N HN 1.446 nan 8.380 nan 0.000 0.481 246 G N -0.563 108.233 108.800 -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 -0.334 174.600 174.900 0.057 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 0.615 120.923 120.300 0.013 0.000 2.729 247 Y HA 0.237 4.787 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 -0.168 57.941 58.100 0.015 0.000 1.521 247 Y CB 0.128 38.599 38.460 0.018 0.000 1.233 247 Y HN 0.313 nan 8.280 nan 0.000 0.539 248 I N 6.693 127.376 120.570 0.189 0.000 2.379 248 I HA 0.151 4.321 4.170 0.000 0.000 0.290 248 I C -0.548 175.599 176.117 0.050 0.000 1.063 248 I CA 0.204 61.558 61.300 0.090 0.000 1.351 248 I CB 0.200 38.238 38.000 0.063 0.000 1.410 248 I HN 0.379 nan 8.210 nan 0.000 0.505 249 L N 8.557 129.806 121.223 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 2.528 44.601 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 0.638 177.933 177.300 -0.008 0.000 1.428 250 P CA -0.205 62.889 63.100 -0.009 0.000 0.995 250 P CB 0.701 32.390 31.700 -0.020 0.000 1.286 251 L N 2.886 124.108 121.223 -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 1.261 56.102 54.840 0.002 0.000 0.759 251 L CB -0.566 41.498 42.059 0.008 0.000 0.903 251 L HN 0.282 nan 8.230 nan 0.000 0.435 252 I N -0.352 120.202 120.570 -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 0.967 62.238 61.300 -0.049 0.000 1.397 252 I CB -0.371 37.591 38.000 -0.064 0.000 1.072 252 I HN 0.194 nan 8.210 nan 0.000 0.417 253 D N 1.285 121.641 120.400 -0.074 0.000 2.092 253 D HA -0.158 4.482 4.640 0.000 0.000 0.193 253 D C 2.178 178.454 176.300 -0.039 0.000 0.994 253 D CA 1.421 55.370 54.000 -0.085 0.000 0.828 253 D CB -0.330 40.435 40.800 -0.058 0.000 0.963 253 D HN 0.265 nan 8.370 nan 0.000 0.450 254 L N 0.316 121.534 121.223 -0.008 0.000 2.551 254 L HA 0.001 4.341 4.340 0.000 0.000 0.228 254 L C 1.571 178.466 176.870 0.041 0.000 1.153 254 L CA 0.668 55.524 54.840 0.027 0.000 0.851 254 L CB -0.195 41.881 42.059 0.028 0.000 0.959 254 L HN 0.034 nan 8.230 nan 0.000 0.451 255 S N -3.095 112.614 115.700 0.014 0.000 2.593 255 S HA 0.168 4.638 4.470 0.000 0.000 0.236 255 S C 0.506 175.106 174.600 0.001 0.000 0.991 255 S CA -0.547 57.665 58.200 0.020 0.000 0.963 255 S CB 0.164 63.372 63.200 0.013 0.000 0.865 255 S HN 0.085 nan 8.310 nan 0.000 0.488 256 T N 2.822 117.365 114.554 -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 1.345 70.110 68.868 -0.171 0.000 0.983 256 T HN 0.259 nan 8.240 nan 0.000 0.455 257 L N 3.249 124.466 121.223 -0.009 0.000 2.289 257 L HA 0.453 4.793 4.340 0.000 0.000 0.285 257 L C -0.928 176.024 176.870 0.136 0.000 1.049 257 L CA -1.044 53.767 54.840 -0.049 0.000 0.804 257 L CB 0.629 42.557 42.059 -0.218 0.000 1.195 257 L HN 0.625 nan 8.230 nan 0.000 0.428 258 Y N 4.522 124.868 120.300 0.076 0.000 2.402 258 Y HA 0.471 5.021 4.550 0.000 0.000 0.332 258 Y C -0.850 174.996 175.900 -0.091 0.000 0.960 258 Y CA -1.240 56.962 58.100 0.170 0.000 1.228 258 Y CB 0.581 39.270 38.460 0.383 0.000 1.120 258 Y HN 0.523 nan 8.280 nan 0.000 0.491 259 N N 5.891 124.161 118.700 -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 -0.854 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 0.584 121.510 121.223 -0.496 0.000 2.346 260 L HA 0.590 4.930 4.340 0.000 0.000 0.276 260 L C -0.006 176.857 176.870 -0.012 0.000 1.006 260 L CA -0.549 54.177 54.840 -0.191 0.000 0.817 260 L CB 1.700 43.613 42.059 -0.242 0.000 1.272 260 L HN 0.387 nan 8.230 nan 0.000 0.421 261 E N 2.458 122.792 120.200 0.224 0.000 2.408 261 E HA 0.381 4.731 4.350 0.000 0.000 0.275 261 E C -1.479 175.219 176.600 0.164 0.000 0.935 261 E CA -0.850 55.678 56.400 0.213 0.000 0.775 261 E CB 3.145 33.045 29.700 0.332 0.000 1.277 261 E HN 0.670 nan 8.360 nan 0.000 0.455 262 N N -0.046 118.683 118.700 0.049 0.000 2.405 262 N HA 0.535 5.275 4.740 0.000 0.000 0.285 262 N C -1.140 174.406 175.510 0.061 0.000 1.262 262 N CA -0.578 52.429 53.050 -0.072 0.000 0.773 262 N CB 2.012 40.340 38.487 -0.265 0.000 1.490 262 N HN 0.492 nan 8.380 nan 0.000 0.486 263 S N -1.381 114.363 115.700 0.073 0.000 2.656 263 S HA 0.887 5.357 4.470 0.000 0.000 0.273 263 S C -1.554 173.120 174.600 0.124 0.000 1.168 263 S CA -0.881 57.391 58.200 0.120 0.000 0.817 263 S CB 1.258 64.560 63.200 0.171 0.000 1.146 263 S HN 1.091 nan 8.310 nan 0.000 0.475 264 A N 1.002 123.898 122.820 0.128 0.000 2.414 264 A HA 0.824 5.144 4.320 0.000 0.000 0.306 264 A C -1.339 176.328 177.584 0.138 0.000 1.054 264 A CA -0.741 51.379 52.037 0.138 0.000 0.724 264 A CB 1.573 20.654 19.000 0.135 0.000 1.267 264 A HN 0.775 nan 8.150 nan 0.000 0.418 265 Q N 0.621 120.523 119.800 0.171 0.000 2.359 265 Q HA 0.789 5.129 4.340 0.000 0.000 0.274 265 Q C -0.668 175.476 176.000 0.241 0.000 1.074 265 Q CA -0.590 55.356 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 -0.285 51.797 52.037 0.074 0.000 0.757 266 A CB 1.430 20.456 19.000 0.043 0.000 1.337 266 A HN 1.407 nan 8.150 nan 0.000 0.423 267 G N -1.073 107.726 108.800 -0.001 0.000 2.151 267 G HA2 0.011 3.971 3.960 0.000 0.000 0.156 267 G HA3 0.011 3.971 3.960 0.000 0.000 0.156 267 G C -0.424 174.486 174.900 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 1.485 122.517 121.223 -0.319 0.000 2.395 268 L HA 0.778 5.118 4.340 0.000 0.000 0.269 268 L C 0.975 177.770 176.870 -0.126 0.000 1.133 268 L CA 0.514 55.137 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 -0.102 114.408 114.554 -0.075 0.000 2.952 269 T HA 0.544 4.894 4.350 0.000 0.000 0.305 269 T C -2.857 171.813 174.700 -0.049 0.000 1.064 269 T CA -2.231 59.845 62.100 -0.041 0.000 1.008 269 T CB 1.912 70.774 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 0.292 177.563 177.300 -0.047 0.000 1.173 270 P CA 0.563 63.638 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 -0.990 117.668 118.700 -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 -0.069 0.000 0.831 271 N CB -1.639 36.830 38.487 -0.030 0.000 1.142 271 N HN 0.194 nan 8.380 nan 0.000 0.573 272 V N 1.154 121.029 119.914 -0.065 0.000 2.459 272 V HA 0.226 4.346 4.120 0.000 0.000 0.295 272 V C 0.125 176.189 176.094 -0.050 0.000 1.029 272 V CA -0.813 61.466 62.300 -0.035 0.000 0.874 272 V CB 2.081 33.901 31.823 -0.005 0.000 0.985 272 V HN -0.048 nan 8.190 nan 0.000 0.438 273 D N 3.398 123.778 120.400 -0.034 0.000 2.434 273 D HA 0.109 4.749 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 0.497 54.474 54.000 -0.038 0.000 0.886 273 D CB 0.393 41.193 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 0.328 4.855 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 -0.782 57.142 58.000 -0.127 0.000 1.090 274 F CB 0.784 39.680 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 -0.489 0.000 2.417 275 V HA 0.411 4.531 4.120 0.000 0.000 0.291 275 V C -0.597 175.240 176.094 -0.429 0.000 1.024 275 V CA -0.907 61.192 62.300 -0.335 0.000 0.861 275 V CB 1.426 33.135 31.823 -0.190 0.000 0.985 275 V HN 0.495 nan 8.190 nan 0.000 0.436 276 V N 5.103 124.867 119.914 -0.249 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 -0.707 61.460 62.300 -0.222 0.000 0.838 276 V CB 1.273 33.031 31.823 -0.108 0.000 0.999 276 V HN 0.815 nan 8.190 nan 0.000 0.447 277 Q N 3.017 122.701 119.800 -0.193 0.000 2.352 277 Q HA 0.276 4.616 4.340 0.000 0.000 0.260 277 Q C -0.821 175.024 176.000 -0.259 0.000 0.976 277 Q CA 0.118 55.827 55.803 -0.156 0.000 0.881 277 Q CB 1.017 29.694 28.738 -0.103 0.000 1.235 277 Q HN 0.633 nan 8.270 nan 0.000 0.419 278 Y N 0.073 120.258 120.300 -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 -0.392 57.481 58.100 -0.378 0.000 1.218 278 Y CB 1.035 39.205 38.460 -0.484 0.000 1.207 278 Y HN 0.644 nan 8.280 nan 0.000 0.495 279 A N 3.033 125.868 122.820 0.025 0.000 2.313 279 A HA 0.310 4.630 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 -0.009 18.824 19.000 -0.278 0.000 1.055 279 A HN 0.875 nan 8.150 nan 0.000 0.492 280 N N -0.682 117.927 118.700 -0.152 0.000 2.408 280 N HA 0.535 5.275 4.740 0.000 0.000 0.260 280 N C 0.546 175.936 175.510 -0.199 0.000 1.242 280 N CA -0.140 52.817 53.050 -0.155 0.000 0.959 280 N CB 0.506 38.895 38.487 -0.162 0.000 1.201 280 N HN 0.730 nan 8.380 nan 0.000 0.511 281 L N -4.086 117.058 121.223 -0.131 0.000 3.271 281 L HA -0.299 4.041 4.340 0.000 0.000 0.385 281 L C -0.306 176.775 176.870 0.351 0.000 0.696 281 L CA 1.321 56.208 54.840 0.078 0.000 3.118 281 L CB -1.365 40.699 42.059 0.009 0.000 0.639 281 L HN 0.628 nan 8.230 nan 0.000 0.752 282 Y N 1.306 121.594 120.300 -0.020 0.000 2.346 282 Y HA 0.267 4.817 4.550 0.000 0.000 0.330 282 Y C 1.030 176.911 175.900 -0.033 0.000 1.178 282 Y CA -0.633 57.325 58.100 -0.236 0.000 1.331 282 Y CB 0.505 38.382 38.460 -0.972 0.000 1.253 282 Y HN 0.060 nan 8.280 nan 0.000 0.529 283 R N 3.566 124.156 120.500 0.151 0.000 2.247 283 R HA 0.215 4.555 4.340 0.000 0.000 0.329 283 R C -1.712 174.633 176.300 0.075 0.000 1.014 283 R CA -0.603 55.592 56.100 0.159 0.000 0.907 283 R CB 0.373 30.712 30.300 0.064 0.000 1.146 283 R HN 0.536 nan 8.270 nan 0.000 0.499 284 Y N 3.242 123.650 120.300 0.180 0.000 2.436 284 Y HA 0.047 4.597 4.550 0.000 0.000 0.343 284 Y C 1.385 177.346 175.900 0.102 0.000 1.008 284 Y CA -0.267 57.952 58.100 0.197 0.000 1.241 284 Y CB 0.640 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 0.038 4.378 4.340 0.000 0.000 0.205 285 L C 0.759 177.741 176.870 0.187 0.000 1.086 285 L CA 0.612 55.509 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 -1.990 113.884 115.700 0.291 0.000 2.570 286 S HA 0.610 5.080 4.470 0.000 0.000 0.270 286 S C -0.622 174.176 174.600 0.330 0.000 1.149 286 S CA -0.678 57.665 58.200 0.239 0.000 0.837 286 S CB 2.364 65.750 63.200 0.311 0.000 1.124 286 S HN -0.071 nan 8.310 nan 0.000 0.465 287 T N 1.939 116.600 114.554 0.178 0.000 2.916 287 T HA 0.611 4.961 4.350 0.000 0.000 0.298 287 T C -0.955 173.725 174.700 -0.034 0.000 1.031 287 T CA -0.398 61.765 62.100 0.105 0.000 0.993 287 T CB 0.906 69.882 68.868 0.180 0.000 1.045 287 T HN 0.660 nan 8.240 nan 0.000 0.454 288 I N 2.236 122.723 120.570 -0.139 0.000 2.509 288 I HA 0.723 4.893 4.170 0.000 0.000 0.293 288 I C -0.352 175.621 176.117 -0.241 0.000 1.020 288 I CA -0.929 60.330 61.300 -0.068 0.000 1.088 288 I CB 1.750 39.811 38.000 0.102 0.000 1.267 288 I HN 0.734 nan 8.210 nan 0.000 0.430 289 A N 6.250 128.981 122.820 -0.149 0.000 2.335 289 A HA 0.755 5.075 4.320 0.000 0.000 0.304 289 A C -1.142 176.519 177.584 0.129 0.000 1.118 289 A CA -0.475 51.489 52.037 -0.121 0.000 0.757 289 A CB 1.355 20.192 19.000 -0.271 0.000 1.188 289 A HN 0.392 nan 8.150 nan 0.000 0.460 290 V N 3.340 123.346 119.914 0.154 0.000 2.357 290 V HA 0.315 4.435 4.120 0.000 0.000 0.284 290 V C -0.697 175.580 176.094 0.305 0.000 1.018 290 V CA -0.392 62.044 62.300 0.226 0.000 0.841 290 V CB 1.193 33.098 31.823 0.137 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 0.369 4.896 4.527 0.000 0.000 0.358 291 F C 0.460 176.150 175.800 -0.184 0.000 1.161 291 F CA -1.793 56.213 58.000 0.011 0.000 1.185 291 F CB 0.173 39.200 39.000 0.046 0.000 1.421 291 F HN 0.599 nan 8.300 nan 0.000 0.576 292 D N 4.246 124.628 120.400 -0.030 0.000 2.435 292 D HA -0.029 4.611 4.640 0.000 0.000 0.230 292 D C -0.083 175.879 176.300 -0.563 0.000 1.215 292 D CA 0.088 53.760 54.000 -0.547 0.000 0.947 292 D CB -0.322 40.397 40.800 -0.134 0.000 1.048 292 D HN 0.273 nan 8.370 nan 0.000 0.512 293 N N 2.825 120.941 118.700 -0.974 0.000 3.050 293 N HA 0.191 4.931 4.740 0.000 0.000 0.289 293 N C 0.733 175.932 175.510 -0.518 0.000 1.209 293 N CA 0.412 52.938 53.050 -0.873 0.000 1.154 293 N CB -0.433 37.335 38.487 -1.197 0.000 1.444 293 N HN 0.608 nan 8.380 nan 0.000 0.529 294 G N 0.983 109.578 108.800 -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 0.568 45.536 45.100 -0.219 0.000 0.942 294 G HN 1.104 nan 8.290 nan 0.000 0.506 295 G N -2.332 106.291 108.800 -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 0.477 175.245 174.900 -0.219 0.000 0.990 295 G CA 0.644 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 0.265 115.703 115.700 -0.437 0.000 2.508 296 S HA 0.761 5.231 4.470 0.000 0.000 0.284 296 S C -0.810 173.380 174.600 -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 2.902 122.746 119.950 -0.177 0.000 2.445 297 F HA 0.441 4.968 4.527 0.000 0.000 0.348 297 F C 0.453 176.192 175.800 -0.103 0.000 1.125 297 F CA -0.852 57.054 58.000 -0.158 0.000 0.983 297 F CB 1.203 40.111 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 0.502 5.242 4.740 0.000 0.000 0.301 298 N C -0.488 175.088 175.510 0.110 0.000 1.133 298 N CA -0.705 52.364 53.050 0.030 0.000 0.853 298 N CB 2.235 40.705 38.487 -0.030 0.000 1.241 298 N HN 0.574 nan 8.380 nan 0.000 0.502 299 A N 0.612 123.494 122.820 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 0.337 52.453 52.037 0.131 0.000 1.408 299 A CB -1.423 17.634 19.000 0.096 0.000 1.108 299 A HN 0.915 nan 8.150 nan 0.000 0.621 300 G N 1.068 110.038 108.800 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 1.358 176.347 174.900 0.148 0.000 0.995 300 G CA 1.550 46.814 45.100 0.273 0.000 0.622 300 G HN 1.557 nan 8.290 nan 0.000 0.538 301 T N -0.628 113.993 114.554 0.111 0.000 2.977 301 T HA 0.045 4.395 4.350 0.000 0.000 0.271 301 T C 1.477 176.209 174.700 0.052 0.000 1.105 301 T CA 1.874 64.014 62.100 0.068 0.000 1.116 301 T CB -0.241 68.655 68.868 0.047 0.000 0.878 301 T HN 0.623 nan 8.240 nan 0.000 0.509 302 D N 0.326 120.769 120.400 0.072 0.000 2.368 302 D HA 0.255 4.896 4.640 0.000 0.000 0.218 302 D C 0.146 176.531 176.300 0.141 0.000 1.112 302 D CA -0.495 53.556 54.000 0.085 0.000 0.834 302 D CB -0.307 40.508 40.800 0.025 0.000 0.953 302 D HN 0.478 nan 8.370 nan 0.000 0.505 303 I N 0.466 121.073 120.570 0.061 0.000 2.545 303 I HA 0.217 4.387 4.170 0.000 0.000 0.292 303 I C 0.620 176.685 176.117 -0.086 0.000 1.040 303 I CA -0.862 60.401 61.300 -0.062 0.000 1.068 303 I CB 2.138 40.038 38.000 -0.166 0.000 1.251 303 I HN -0.269 nan 8.210 nan 0.000 0.424 304 N N 3.900 122.500 118.700 -0.166 0.000 2.197 304 N HA -0.002 4.738 4.740 0.000 0.000 0.184 304 N C -0.570 174.945 175.510 0.009 0.000 1.030 304 N CA 1.402 54.400 53.050 -0.088 0.000 0.851 304 N CB 0.249 38.645 38.487 -0.153 0.000 1.003 304 N HN 0.629 nan 8.380 nan 0.000 0.430 305 Y N -1.974 118.248 120.300 -0.130 0.000 2.741 305 Y HA 0.630 5.180 4.550 0.000 0.000 0.339 305 Y C -1.791 173.937 175.900 -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 -0.277 nan 8.280 nan 0.000 0.453 306 L N 1.640 122.807 121.223 -0.094 0.000 2.333 306 L HA 0.924 5.264 4.340 0.000 0.000 0.263 306 L C -0.097 176.656 176.870 -0.194 0.000 1.014 306 L CA -0.547 54.002 54.840 -0.484 0.000 0.820 306 L CB 2.212 43.488 42.059 -1.305 0.000 1.352 306 L HN 0.891 nan 8.230 nan 0.000 0.421 307 S N -0.170 115.316 115.700 -0.356 0.000 2.636 307 S HA 0.588 5.058 4.470 0.000 0.000 0.268 307 S C -2.077 172.392 174.600 -0.217 0.000 1.159 307 S CA -0.616 57.549 58.200 -0.058 0.000 0.815 307 S CB 1.608 64.815 63.200 0.012 0.000 1.130 307 S HN 0.578 nan 8.310 nan 0.000 0.471 308 Q N 1.072 120.871 119.800 -0.003 0.000 2.304 308 Q HA 0.571 4.911 4.340 0.000 0.000 0.270 308 Q C -1.107 174.919 176.000 0.042 0.000 1.035 308 Q CA -0.684 55.151 55.803 0.052 0.000 0.781 308 Q CB 2.206 31.033 28.738 0.147 0.000 1.261 308 Q HN 0.665 nan 8.270 nan 0.000 0.444 309 R N -0.639 119.891 120.500 0.050 0.000 2.604 309 R HA 0.440 4.780 4.340 0.000 0.000 0.281 309 R C -0.341 175.980 176.300 0.035 0.000 1.020 309 R CA -0.707 55.410 56.100 0.028 0.000 0.899 309 R CB 0.980 31.286 30.300 0.009 0.000 1.205 309 R HN 0.503 nan 8.270 nan 0.000 0.450 310 T N 0.686 115.251 114.554 0.017 0.000 3.418 310 T HA 0.447 4.797 4.350 0.000 0.000 0.239 310 T C 0.982 175.685 174.700 0.005 0.000 0.905 310 T CA 0.110 62.217 62.100 0.012 0.000 0.929 310 T CB -0.527 68.343 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 1.526 179.107 177.584 -0.006 0.000 2.032 311 A CA 1.754 53.789 52.037 -0.003 0.000 0.715 311 A CB -2.355 16.641 19.000 -0.007 0.000 1.178 311 A HN 2.328 nan 8.150 nan 0.000 0.370 312 N N -2.431 116.263 118.700 -0.009 0.000 2.677 312 N HA 0.424 5.165 4.740 0.000 0.000 0.249 312 N C 1.306 176.811 175.510 -0.009 0.000 1.073 312 N CA 2.172 55.217 53.050 -0.009 0.000 0.737 312 N CB -2.256 36.226 38.487 -0.009 0.000 0.999 312 N HN 2.687 nan 8.380 nan 0.000 0.543 313 F N -2.176 117.768 119.950 -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 1.542 59.536 58.000 -0.011 0.000 0.871 313 F CB -1.728 37.265 39.000 -0.011 0.000 0.776 313 F HN 1.959 nan 8.300 nan 0.000 0.850 314 S N 1.421 117.114 115.700 -0.012 0.000 2.721 314 S HA 0.480 4.950 4.470 0.000 0.000 0.264 314 S C -0.927 173.666 174.600 -0.011 0.000 1.161 314 S CA -0.288 57.904 58.200 -0.013 0.000 1.113 314 S CB 0.644 63.839 63.200 -0.009 0.000 1.079 314 S HN 0.579 nan 8.310 nan 0.000 0.479 315 D N 2.795 123.183 120.400 -0.021 0.000 2.256 315 D HA 0.239 4.879 4.640 0.000 0.000 0.250 315 D C 1.205 177.497 176.300 -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 -1.061 113.494 114.554 0.002 0.000 3.022 316 T HA 0.060 4.410 4.350 0.000 0.000 0.250 316 T C 0.929 175.629 174.700 -0.000 0.000 1.060 316 T CA -0.278 61.822 62.100 -0.001 0.000 1.013 316 T CB 0.277 69.147 68.868 0.002 0.000 0.982 316 T HN 0.588 nan 8.240 nan 0.000 0.508 317 R N 0.420 120.931 120.500 0.020 0.000 2.714 317 R HA 0.311 4.651 4.340 0.000 0.000 0.214 317 R C -0.843 175.524 176.300 0.113 0.000 1.474 317 R CA -0.653 55.467 56.100 0.034 0.000 1.435 317 R CB -0.322 29.967 30.300 -0.018 0.000 1.517 317 R HN 0.084 nan 8.270 nan 0.000 0.748 318 K N 2.877 123.301 120.400 0.040 0.000 2.338 318 K HA 0.282 4.602 4.320 0.000 0.000 0.290 318 K C -0.961 175.661 176.600 0.037 0.000 1.069 318 K CA -0.103 56.185 56.287 0.000 0.000 0.941 318 K CB 0.466 32.860 32.500 -0.178 0.000 1.023 318 K HN 0.443 nan 8.250 nan 0.000 0.477 319 L N 3.283 124.618 121.223 0.187 0.000 2.371 319 L HA 0.341 4.681 4.340 0.000 0.000 0.262 319 L C -0.431 176.575 176.870 0.227 0.000 1.006 319 L CA -1.376 53.592 54.840 0.213 0.000 0.818 319 L CB 2.034 44.287 42.059 0.323 0.000 1.354 319 L HN 0.736 nan 8.230 nan 0.000 0.415 320 D N 0.350 120.855 120.400 0.176 0.000 2.368 320 D HA 0.148 4.788 4.640 0.000 0.000 0.240 320 D C -2.108 174.306 176.300 0.190 0.000 1.169 320 D CA -1.206 52.891 54.000 0.160 0.000 0.906 320 D CB 0.667 41.540 40.800 0.123 0.000 1.187 320 D HN 0.197 nan 8.370 nan 0.000 0.435 321 P HA -0.217 nan 4.420 nan 0.000 0.216 321 P C 1.131 178.605 177.300 0.291 0.000 1.150 321 P CA 1.529 64.734 63.100 0.175 0.000 0.843 321 P CB 0.090 31.860 31.700 0.117 0.000 0.787 322 K N -1.072 119.459 120.400 0.218 0.000 2.097 322 K HA -0.071 4.249 4.320 0.000 0.000 0.205 322 K C 1.736 178.461 176.600 0.209 0.000 1.050 322 K CA 1.529 57.937 56.287 0.202 0.000 0.938 322 K CB -0.399 32.185 32.500 0.141 0.000 0.718 322 K HN 0.032 nan 8.250 nan 0.000 0.442 323 T N 0.334 115.010 114.554 0.203 0.000 2.904 323 T HA -0.139 4.211 4.350 0.000 0.000 0.267 323 T C 1.114 175.947 174.700 0.221 0.000 1.059 323 T CA 0.772 62.975 62.100 0.172 0.000 1.137 323 T CB -0.200 68.750 68.868 0.136 0.000 0.879 323 T HN 0.437 nan 8.240 nan 0.000 0.467 324 W N 2.249 123.622 121.300 0.121 0.000 2.358 324 W HA -0.069 4.591 4.660 0.000 0.000 0.303 324 W C 2.446 179.088 176.519 0.206 0.000 1.208 324 W CA 1.253 58.692 57.345 0.157 0.000 1.274 324 W CB -0.614 28.947 29.460 0.168 0.000 1.138 324 W HN 0.288 nan 8.180 nan 0.000 0.515 325 A N 0.899 124.020 122.820 0.502 0.000 1.972 325 A HA -0.067 4.253 4.320 0.000 0.000 0.219 325 A C 2.187 179.896 177.584 0.208 0.000 1.169 325 A CA 2.555 54.820 52.037 0.380 0.000 0.635 325 A CB -1.218 17.977 19.000 0.326 0.000 0.810 325 A HN 0.291 nan 8.150 nan 0.000 0.446 326 A N -0.910 122.005 122.820 0.157 0.000 1.933 326 A HA -0.185 4.135 4.320 0.000 0.000 0.218 326 A C 2.090 179.708 177.584 0.056 0.000 1.175 326 A CA 1.672 53.764 52.037 0.092 0.000 0.628 326 A CB -0.432 18.613 19.000 0.076 0.000 0.814 326 A HN 0.499 nan 8.150 nan 0.000 0.444 327 Q N -0.494 119.318 119.800 0.019 0.000 2.124 327 Q HA -0.117 4.223 4.340 0.000 0.000 0.202 327 Q C 2.114 178.133 176.000 0.032 0.000 0.977 327 Q CA 1.986 57.771 55.803 -0.031 0.000 0.850 327 Q CB -1.226 27.408 28.738 -0.174 0.000 0.901 327 Q HN 0.636 nan 8.270 nan 0.000 0.429 328 T N 1.093 115.704 114.554 0.096 0.000 2.821 328 T HA -0.061 4.289 4.350 0.000 0.000 0.267 328 T C 1.805 176.569 174.700 0.106 0.000 1.046 328 T CA 0.755 62.983 62.100 0.212 0.000 1.139 328 T CB -0.040 69.048 68.868 0.366 0.000 0.871 328 T HN 0.261 nan 8.240 nan 0.000 0.454 329 R N 0.721 121.264 120.500 0.071 0.000 2.152 329 R HA 0.028 4.368 4.340 0.000 0.000 0.232 329 R C 2.441 178.748 176.300 0.010 0.000 1.117 329 R CA 0.761 56.873 56.100 0.020 0.000 0.981 329 R CB -0.069 30.247 30.300 0.028 0.000 0.870 329 R HN 0.221 nan 8.270 nan 0.000 0.451 330 R N 0.172 120.689 120.500 0.028 0.000 2.189 330 R HA 0.013 4.353 4.340 0.000 0.000 0.218 330 R C 1.849 178.166 176.300 0.028 0.000 1.074 330 R CA 0.740 56.853 56.100 0.022 0.000 0.991 330 R CB 0.022 30.336 30.300 0.023 0.000 0.883 330 R HN 0.170 nan 8.270 nan 0.000 0.457 331 R N 0.408 120.938 120.500 0.049 0.000 2.146 331 R HA 0.158 4.498 4.340 0.000 0.000 0.206 331 R C 2.026 178.316 176.300 -0.018 0.000 1.049 331 R CA 0.769 56.907 56.100 0.062 0.000 1.029 331 R CB 0.056 30.470 30.300 0.191 0.000 0.949 331 R HN 0.313 nan 8.270 nan 0.000 0.471 332 I N -3.968 116.551 120.570 -0.084 0.000 4.147 332 I HA 0.478 4.648 4.170 0.000 0.000 0.329 332 I C 0.498 176.526 176.117 -0.149 0.000 1.424 332 I CA 0.101 61.298 61.300 -0.172 0.000 1.127 332 I CB 0.881 38.649 38.000 -0.386 0.000 1.128 332 I HN -0.042 nan 8.210 nan 0.000 0.417 333 A N 0.297 123.062 122.820 -0.092 0.000 2.861 333 A HA -0.213 4.107 4.320 0.000 0.000 0.261 333 A C 0.637 178.174 177.584 -0.078 0.000 1.351 333 A CA 1.672 53.667 52.037 -0.070 0.000 0.904 333 A CB -2.297 16.664 19.000 -0.064 0.000 1.076 333 A HN 0.805 nan 8.150 nan 0.000 0.729 334 T N -1.852 112.638 114.554 -0.108 0.000 2.654 334 T HA 0.497 4.847 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 0.941 69.741 68.868 -0.114 0.000 1.811 334 T HN 0.284 nan 8.240 nan 0.000 0.483 335 D N 0.569 120.912 120.400 -0.094 0.000 2.217 335 D HA 0.515 5.155 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 -0.120 53.844 54.000 -0.060 0.000 0.914 335 D CB 0.800 41.614 40.800 0.024 0.000 1.182 335 D HN 0.334 nan 8.370 nan 0.000 0.451 336 F N 0.591 120.476 119.950 -0.108 0.000 2.399 336 F HA 0.219 4.746 4.527 0.000 0.000 0.313 336 F C -1.340 174.356 175.800 -0.174 0.000 1.202 336 F CA -1.264 56.595 58.000 -0.236 0.000 1.192 336 F CB 0.076 38.831 39.000 -0.409 0.000 1.256 336 F HN 0.071 nan 8.300 nan 0.000 0.558 337 P HA -0.008 nan 4.420 nan 0.000 0.270 337 P C -1.172 176.161 177.300 0.054 0.000 1.227 337 P CA -0.269 62.895 63.100 0.106 0.000 0.788 337 P CB 0.329 32.193 31.700 0.274 0.000 0.926 338 K N 1.126 121.567 120.400 0.069 0.000 2.530 338 K HA 0.111 4.431 4.320 0.000 0.000 0.280 338 K C 1.289 177.952 176.600 0.105 0.000 1.004 338 K CA 1.283 57.611 56.287 0.069 0.000 1.071 338 K CB -0.767 31.793 32.500 0.101 0.000 0.876 338 K HN 0.864 nan 8.250 nan 0.000 0.487 339 G N 1.184 109.997 108.800 0.022 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 0.015 174.865 174.900 -0.085 0.000 0.975 339 G CA 0.079 45.248 45.100 0.116 0.000 0.642 339 G HN 0.428 nan 8.290 nan 0.000 0.536 340 V N 0.992 120.692 119.914 -0.357 0.000 2.370 340 V HA 0.649 4.769 4.120 0.000 0.000 0.283 340 V C -0.290 175.441 176.094 -0.605 0.000 1.023 340 V CA -0.814 61.274 62.300 -0.352 0.000 0.857 340 V CB 0.829 32.419 31.823 -0.389 0.000 0.985 340 V HN 0.252 nan 8.190 nan 0.000 0.443 341 Y N 4.137 124.472 120.300 0.058 0.000 2.393 341 Y HA 0.622 5.172 4.550 0.000 0.000 0.341 341 Y C -0.508 175.567 175.900 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 40.347 38.460 0.101 0.000 1.203 341 Y HN 0.631 nan 8.280 nan 0.000 0.453 342 Y N 2.180 122.782 120.300 0.503 0.000 2.468 342 Y HA 0.672 5.222 4.550 0.000 0.000 0.342 342 Y C -1.191 175.006 175.900 0.494 0.000 1.021 342 Y CA -1.828 56.463 58.100 0.319 0.000 1.079 342 Y CB 1.713 40.288 38.460 0.191 0.000 1.226 342 Y HN 0.802 nan 8.280 nan 0.000 0.460 343 C N 6.633 125.672 119.300 -0.435 0.000 2.432 343 C HA 0.366 4.826 4.460 0.000 0.000 0.334 343 C C -1.318 173.292 174.990 -0.634 0.000 1.155 343 C CA -0.710 58.120 59.018 -0.315 0.000 1.335 343 C CB -0.018 27.916 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 0.041 176.309 176.300 -0.054 0.000 1.129 344 D CA 0.276 54.156 54.000 -0.200 0.000 0.848 344 D CB 0.753 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 3.514 122.222 118.700 0.012 0.000 2.451 345 N HA 0.099 4.839 4.740 0.000 0.000 0.271 345 N C 1.093 176.626 175.510 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 39.237 38.487 0.044 0.000 1.332 345 N HN 0.358 nan 8.380 nan 0.000 0.498 346 R N 0.479 121.011 120.500 0.053 0.000 2.081 346 R HA -0.045 4.295 4.340 0.000 0.000 0.235 346 R C 0.739 177.046 176.300 0.012 0.000 1.131 346 R CA 1.161 57.286 56.100 0.042 0.000 0.960 346 R CB 0.104 30.469 30.300 0.109 0.000 0.856 346 R HN 0.121 nan 8.270 nan 0.000 0.436 347 D N 0.415 120.829 120.400 0.023 0.000 2.194 347 D HA -0.041 4.599 4.640 0.000 0.000 0.204 347 D C 0.208 176.511 176.300 0.006 0.000 0.964 347 D CA 1.240 55.248 54.000 0.014 0.000 0.846 347 D CB 0.227 41.038 40.800 0.018 0.000 0.962 347 D HN 0.118 nan 8.370 nan 0.000 0.490 348 K N 0.906 121.311 120.400 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 -0.107 nan 8.250 nan 0.000 0.594 349 P HA -0.038 nan 4.420 nan 0.000 0.265 349 P C -0.117 177.233 177.300 0.084 0.000 1.187 349 P CA -0.188 62.942 63.100 0.049 0.000 0.766 349 P CB 0.453 32.170 31.700 0.029 0.000 0.820 350 I N 3.633 124.251 120.570 0.080 0.000 2.587 350 I HA 0.007 4.177 4.170 0.000 0.000 0.284 350 I C -0.039 176.222 176.117 0.240 0.000 1.134 350 I CA 0.256 61.563 61.300 0.012 0.000 1.410 350 I CB -1.204 36.566 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 1.286 177.211 175.900 0.041 0.000 1.062 351 Y CA -1.051 57.094 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 0.754 115.226 114.554 -0.137 0.000 2.881 352 T HA -0.180 4.170 4.350 0.000 0.000 0.270 352 T C 2.034 176.581 174.700 -0.255 0.000 1.068 352 T CA 1.789 63.794 62.100 -0.158 0.000 1.131 352 T CB -0.706 68.095 68.868 -0.112 0.000 0.871 352 T HN 0.549 nan 8.240 nan 0.000 0.479 353 L N 0.656 121.547 121.223 -0.555 0.000 2.056 353 L HA 0.353 4.693 4.340 0.000 0.000 0.207 353 L C 3.038 179.813 176.870 -0.157 0.000 1.078 353 L CA 2.388 56.980 54.840 -0.412 0.000 0.749 353 L CB -2.198 39.483 42.059 -0.630 0.000 0.901 353 L HN 0.726 nan 8.230 nan 0.000 0.433 354 Q N -2.412 117.362 119.800 -0.045 0.000 2.360 354 Q HA 0.369 4.709 4.340 0.000 0.000 0.202 354 Q C 1.437 177.463 176.000 0.043 0.000 0.915 354 Q CA 1.535 57.387 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 1.856 nan 8.270 nan 0.000 0.511 355 Y N -3.211 117.092 120.300 0.004 0.000 2.795 355 Y HA 0.546 5.096 4.550 0.000 0.000 0.274 355 Y C 1.274 177.164 175.900 -0.016 0.000 1.035 355 Y CA 0.235 58.337 58.100 0.002 0.000 1.252 355 Y CB -0.063 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 0.898 109.676 108.800 -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 0.941 nan 8.290 nan 0.000 0.538 357 N N -0.991 117.693 118.700 -0.028 0.000 2.454 357 N HA 0.332 5.072 4.740 0.000 0.000 0.254 357 N C -0.002 175.517 175.510 0.015 0.000 1.228 357 N CA 0.394 53.438 53.050 -0.011 0.000 0.900 357 N CB 0.804 39.281 38.487 -0.017 0.000 1.089 357 N HN 0.519 nan 8.380 nan 0.000 0.449 358 V N 0.146 120.096 119.914 0.060 0.000 2.962 358 V HA 0.753 4.873 4.120 0.000 0.000 0.313 358 V C 0.392 176.646 176.094 0.266 0.000 1.099 358 V CA -0.817 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 0.692 109.645 108.800 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 -2.049 173.014 174.900 0.272 0.000 1.369 359 G CA -0.607 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 0.002 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 -0.499 57.534 58.000 0.055 0.000 1.096 360 F CB 1.753 40.730 39.000 -0.038 0.000 1.129 360 F HN 0.283 nan 8.300 nan 0.000 0.486 361 V N 6.490 126.131 119.914 -0.455 0.000 2.555 361 V HA 0.584 4.704 4.120 0.000 0.000 0.302 361 V C -0.820 175.061 176.094 -0.354 0.000 1.038 361 V CA -0.872 61.270 62.300 -0.264 0.000 0.887 361 V CB 1.585 33.324 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 2.525 362 V HA 0.469 4.589 4.120 0.000 0.000 0.299 362 V C -0.370 175.517 176.094 -0.345 0.000 1.034 362 V CA -0.627 61.486 62.300 -0.310 0.000 0.863 362 V CB 2.023 33.670 31.823 -0.294 0.000 0.999 362 V HN 0.896 nan 8.190 nan 0.000 0.423 363 N N 6.802 125.156 118.700 -0.577 0.000 2.558 363 N HA 0.370 5.110 4.740 0.000 0.000 0.242 363 N C -2.758 172.460 175.510 -0.486 0.000 0.979 363 N CA -1.623 51.067 53.050 -0.601 0.000 0.931 363 N CB 2.528 40.341 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 0.176 177.403 177.300 -0.122 0.000 1.228 364 P CA -0.152 62.809 63.100 -0.230 0.000 0.786 364 P CB 2.068 33.627 31.700 -0.234 0.000 0.927 365 K N 1.421 121.794 120.400 -0.044 0.000 2.168 365 K HA 0.087 4.407 4.320 0.000 0.000 0.201 365 K C 0.035 176.634 176.600 -0.002 0.000 1.049 365 K CA 0.935 57.207 56.287 -0.026 0.000 0.974 365 K CB 0.285 32.780 32.500 -0.008 0.000 0.792 365 K HN 0.427 nan 8.250 nan 0.000 0.463 366 T N 0.811 115.384 114.554 0.032 0.000 2.886 366 T HA 0.435 4.785 4.350 0.000 0.000 0.292 366 T C -1.455 173.276 174.700 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 4.326 124.249 119.914 0.015 0.000 2.447 367 V HA 0.403 4.524 4.120 0.000 0.000 0.292 367 V C -0.265 175.804 176.094 -0.041 0.000 1.021 367 V CA -1.131 61.184 62.300 0.025 0.000 0.850 367 V CB 1.469 33.302 31.823 0.017 0.000 1.005 367 V HN 0.770 nan 8.190 nan 0.000 0.426 368 N N 2.588 121.231 118.700 -0.094 0.000 2.379 368 N HA 0.291 5.031 4.740 0.000 0.000 0.260 368 N C 0.040 175.501 175.510 -0.082 0.000 1.254 368 N CA -0.604 52.384 53.050 -0.103 0.000 0.958 368 N CB 0.532 38.926 38.487 -0.155 0.000 1.208 368 N HN 0.541 nan 8.380 nan 0.000 0.532 369 Q N 1.142 120.900 119.800 -0.070 0.000 2.364 369 Q HA 0.062 4.402 4.340 0.000 0.000 0.267 369 Q C -0.008 175.955 176.000 -0.062 0.000 0.999 369 Q CA 0.346 56.117 55.803 -0.053 0.000 0.886 369 Q CB 0.132 28.845 28.738 -0.042 0.000 1.243 369 Q HN 0.482 nan 8.270 nan 0.000 0.415 370 N N -1.300 117.372 118.700 -0.046 0.000 2.776 370 N HA -0.182 4.558 4.740 0.000 0.000 0.249 370 N C -0.713 174.762 175.510 -0.059 0.000 1.111 370 N CA 0.990 54.015 53.050 -0.042 0.000 0.711 370 N CB -1.289 37.176 38.487 -0.037 0.000 1.065 370 N HN 0.671 nan 8.380 nan 0.000 0.556 371 A N 0.812 123.595 122.820 -0.061 0.000 2.371 371 A HA 0.661 4.981 4.320 0.000 0.000 0.257 371 A C 0.886 178.455 177.584 -0.025 0.000 1.089 371 A CA 0.127 52.138 52.037 -0.043 0.000 0.794 371 A CB 0.657 19.670 19.000 0.022 0.000 1.029 371 A HN 0.470 nan 8.150 nan 0.000 0.488 372 R N 0.800 121.314 120.500 0.024 0.000 2.712 372 R HA 0.617 4.957 4.340 0.000 0.000 0.272 372 R C -2.118 174.221 176.300 0.064 0.000 1.032 372 R CA -0.925 55.171 56.100 -0.005 0.000 0.874 372 R CB 0.923 31.242 30.300 0.032 0.000 1.256 372 R HN 0.469 nan 8.270 nan 0.000 0.468 373 L N 2.603 123.846 121.223 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 -1.052 53.841 54.840 0.089 0.000 0.816 373 L CB 1.677 43.793 42.059 0.096 0.000 1.236 373 L HN 0.461 nan 8.230 nan 0.000 0.419 374 L N 4.858 126.177 121.223 0.159 0.000 2.265 374 L HA 0.459 4.799 4.340 0.000 0.000 0.289 374 L C -0.201 176.748 176.870 0.133 0.000 1.033 374 L CA -0.316 54.650 54.840 0.211 0.000 0.814 374 L CB 1.304 43.567 42.059 0.340 0.000 1.203 374 L HN 0.479 nan 8.230 nan 0.000 0.423 375 M N 2.570 122.169 119.600 -0.001 0.000 2.363 375 M HA 0.517 4.997 4.480 0.000 0.000 0.343 375 M C 0.268 176.284 176.300 -0.473 0.000 1.165 375 M CA -0.376 54.739 55.300 -0.307 0.000 1.046 375 M CB 1.580 33.921 32.600 -0.432 0.000 1.648 375 M HN 0.582 nan 8.290 nan 0.000 0.452 376 G N 2.890 111.262 108.800 -0.712 0.000 2.609 376 G HA2 0.696 4.656 3.960 0.000 0.000 0.308 376 G HA3 0.696 4.656 3.960 0.000 0.000 0.308 376 G C -1.887 172.606 174.900 -0.678 0.000 1.369 376 G CA -0.240 44.223 45.100 -1.062 0.000 0.958 376 G HN 0.594 nan 8.290 nan 0.000 0.499 377 Y N 0.157 120.486 120.300 0.047 0.000 2.485 377 Y HA 0.582 5.132 4.550 0.000 0.000 0.345 377 Y C 0.240 176.392 175.900 0.419 0.000 0.998 377 Y CA -0.943 57.382 58.100 0.374 0.000 1.059 377 Y CB 2.848 41.650 38.460 0.569 0.000 1.234 377 Y HN 0.503 nan 8.280 nan 0.000 0.461 378 E N 2.576 123.109 120.200 0.555 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 1.315 31.202 29.700 0.312 0.000 1.148 378 E HN 0.570 nan 8.360 nan 0.000 0.412 379 Y N 1.659 121.970 120.300 0.018 0.000 2.638 379 Y HA 0.563 5.113 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 -1.478 56.531 58.100 -0.153 0.000 1.046 379 Y CB 1.000 39.207 38.460 -0.421 0.000 1.303 379 Y HN 0.301 nan 8.280 nan 0.000 0.460 380 F N 0.850 120.909 119.950 0.182 0.000 2.480 380 F HA 0.710 5.237 4.527 0.000 0.000 0.329 380 F C 0.189 176.060 175.800 0.119 0.000 1.091 380 F CA -0.916 57.142 58.000 0.095 0.000 0.972 380 F CB 2.531 41.531 39.000 -0.001 0.000 1.150 380 F HN 0.736 nan 8.300 nan 0.000 0.467 381 T N 1.118 115.835 114.554 0.273 0.000 2.885 381 T HA 0.277 4.627 4.350 0.000 0.000 0.322 381 T C -1.126 173.639 174.700 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 2.324 118.087 115.700 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 64.280 63.200 0.061 0.000 0.918 382 S HN 0.659 nan 8.310 nan 0.000 0.497 383 R N 1.842 122.359 120.500 0.029 0.000 2.083 383 R HA -0.108 4.232 4.340 0.000 0.000 0.237 383 R C 1.233 177.557 176.300 0.041 0.000 1.137 383 R CA 1.577 57.692 56.100 0.026 0.000 0.951 383 R CB -0.659 29.657 30.300 0.026 0.000 0.851 383 R HN 0.773 nan 8.270 nan 0.000 0.434 384 T N 0.702 115.281 114.554 0.041 0.000 3.151 384 T HA 0.526 4.876 4.350 0.000 0.000 0.332 384 T C -0.181 174.548 174.700 0.048 0.000 1.245 384 T CA 0.288 62.413 62.100 0.041 0.000 1.019 384 T CB 0.109 68.997 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