REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1q3r_1_D DATA FIRST_RESID 9 DATA SEQUENCE VVILPEGTQR YVGRDAQRLN ILAARIIAET VRTTLGPKGM DKMLVDSLGD DATA SEQUENCE IVVTNDGATI LDKIDLQHPA AKMMVEVAKT QDKEAGDGTT TAVVIAGELL DATA SEQUENCE RKAEELLDQN IHPSIITKGY ALAAEKAQEI LDEIAIRVDP DDEETLLKIA DATA SEQUENCE ATSITGKNAE SHKELLAKLA VEAVKQVAEK KDGKYVVDLD NIKFEKKAGE DATA SEQUENCE GVEESELVRG VVIDKEVVHP RMPKRVENAK IALINEALEV KKTETDAKIN DATA SEQUENCE ITSPDQLMSF LEQEEKMLKD MVDHIAQTGA NVVFVQKGID DLAQHYLAKY DATA SEQUENCE GIMAVRRVKK SDMEKLAKAT GAKIVTNVKD LTPEDLGYAE VVEERKLAGE DATA SEQUENCE NMIFVEGCKN PKAVTILIRG GTEHVIDEVE RALEDAVKVV KDVMEDGAVL DATA SEQUENCE PAGGAPEIEL AIRLDEYAKQ VGGKEALAIE NFADALKIIP KTLAENAGLD DATA SEQUENCE TVEMLVKVIS EHKNRGLGIG IDVFEGKPAD MLEKGIIEPL RVKKQAIKSA DATA SEQUENCE SEAAIMILRI DDVIAAKA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 9 V HA 0.000 nan 4.120 nan 0.000 0.244 9 V C 0.000 176.088 176.094 -0.010 0.000 1.182 9 V CA 0.000 62.295 62.300 -0.009 0.000 1.235 9 V CB 0.000 31.819 31.823 -0.007 0.000 1.184 10 V N 5.761 125.669 119.914 -0.010 0.000 2.326 10 V HA 0.173 4.294 4.120 0.001 0.000 0.249 10 V C 1.049 177.137 176.094 -0.010 0.000 1.114 10 V CA 0.248 62.541 62.300 -0.011 0.000 1.028 10 V CB 0.321 32.138 31.823 -0.010 0.000 1.170 10 V HN 0.686 nan 8.190 nan 0.000 0.494 11 I N 3.624 124.187 120.570 -0.012 0.000 2.429 11 I HA 0.133 4.304 4.170 0.001 0.000 0.247 11 I C 0.928 177.039 176.117 -0.011 0.000 1.099 11 I CA 1.097 62.391 61.300 -0.010 0.000 1.422 11 I CB -0.136 37.857 38.000 -0.010 0.000 1.112 11 I HN 0.334 nan 8.210 nan 0.000 0.430 12 L N 1.128 122.343 121.223 -0.014 0.000 2.375 12 L HA 0.334 4.675 4.340 0.001 0.000 0.268 12 L C -2.068 174.794 176.870 -0.014 0.000 1.058 12 L CA -1.689 53.143 54.840 -0.014 0.000 0.803 12 L CB 0.511 42.559 42.059 -0.019 0.000 1.212 12 L HN -0.072 nan 8.230 nan 0.000 0.451 13 P HA 0.057 nan 4.420 nan 0.000 0.271 13 P C -0.758 176.534 177.300 -0.013 0.000 1.218 13 P CA -0.424 62.670 63.100 -0.010 0.000 0.780 13 P CB 0.487 32.183 31.700 -0.008 0.000 0.901 14 E N 1.484 121.677 120.200 -0.011 0.000 2.452 14 E HA 0.263 4.614 4.350 0.001 0.000 0.261 14 E C 1.299 177.893 176.600 -0.011 0.000 0.987 14 E CA 1.530 57.923 56.400 -0.013 0.000 0.926 14 E CB -0.483 29.211 29.700 -0.010 0.000 0.934 14 E HN 0.691 nan 8.360 nan 0.000 0.452 15 G N 3.074 111.866 108.800 -0.014 0.000 2.213 15 G HA2 -0.251 3.710 3.960 0.001 0.000 0.236 15 G HA3 -0.251 3.710 3.960 0.001 0.000 0.236 15 G C 0.417 175.310 174.900 -0.012 0.000 0.991 15 G CA 0.209 45.303 45.100 -0.010 0.000 0.629 15 G HN 0.699 nan 8.290 nan 0.000 0.517 16 T N 2.184 116.727 114.554 -0.018 0.000 2.870 16 T HA 0.490 4.841 4.350 0.001 0.000 0.300 16 T C 0.387 175.061 174.700 -0.042 0.000 0.989 16 T CA 0.378 62.466 62.100 -0.020 0.000 1.139 16 T CB 1.125 69.981 68.868 -0.021 0.000 0.920 16 T HN 0.468 nan 8.240 nan 0.000 0.537 17 Q N 2.047 121.826 119.800 -0.035 0.000 2.235 17 Q HA 0.685 5.026 4.340 0.001 0.000 0.256 17 Q C -0.145 175.769 176.000 -0.143 0.000 0.951 17 Q CA -0.829 54.915 55.803 -0.099 0.000 0.890 17 Q CB 2.040 30.786 28.738 0.013 0.000 1.279 17 Q HN 0.446 nan 8.270 nan 0.000 0.444 18 R N 1.345 121.608 120.500 -0.394 0.000 2.604 18 R HA 0.482 4.822 4.340 0.001 0.000 0.270 18 R C -1.957 173.981 176.300 -0.603 0.000 1.052 18 R CA -0.459 55.467 56.100 -0.291 0.000 0.902 18 R CB 1.423 31.638 30.300 -0.141 0.000 1.233 18 R HN 0.633 nan 8.270 nan 0.000 0.455 19 Y N 1.771 122.074 120.300 0.005 0.000 2.504 19 Y HA 0.525 5.076 4.550 0.001 0.000 0.344 19 Y C -0.413 175.490 175.900 0.004 0.000 1.023 19 Y CA -0.867 57.238 58.100 0.008 0.000 1.020 19 Y CB 2.272 40.743 38.460 0.019 0.000 1.282 19 Y HN 0.362 nan 8.280 nan 0.000 0.454 20 V N -0.819 119.176 119.914 0.135 0.000 3.040 20 V HA 1.036 5.156 4.120 0.001 0.000 0.312 20 V C 0.433 176.563 176.094 0.059 0.000 1.115 20 V CA -0.306 62.039 62.300 0.075 0.000 0.998 20 V CB 1.207 33.051 31.823 0.034 0.000 1.042 20 V HN 1.382 nan 8.190 nan 0.000 0.433 21 G N 2.385 111.204 108.800 0.031 0.000 2.634 21 G HA2 -0.404 3.557 3.960 0.001 0.000 0.309 21 G HA3 -0.404 3.557 3.960 0.001 0.000 0.309 21 G C 1.031 175.937 174.900 0.011 0.000 1.265 21 G CA 1.515 46.620 45.100 0.009 0.000 0.998 21 G HN 1.415 nan 8.290 nan 0.000 0.551 22 R N 0.316 120.819 120.500 0.005 0.000 2.117 22 R HA -0.155 4.185 4.340 0.001 0.000 0.243 22 R C 2.152 178.463 176.300 0.019 0.000 1.143 22 R CA 2.603 58.705 56.100 0.003 0.000 0.968 22 R CB -0.573 29.728 30.300 0.002 0.000 0.863 22 R HN 0.624 nan 8.270 nan 0.000 0.444 23 D N 0.133 120.562 120.400 0.048 0.000 2.097 23 D HA -0.107 4.533 4.640 0.001 0.000 0.197 23 D C 1.788 178.127 176.300 0.066 0.000 0.984 23 D CA 1.574 55.624 54.000 0.084 0.000 0.826 23 D CB -0.362 40.538 40.800 0.166 0.000 0.973 23 D HN 0.389 nan 8.370 nan 0.000 0.460 24 A N 0.831 123.704 122.820 0.089 0.000 1.902 24 A HA -0.243 4.077 4.320 0.001 0.000 0.217 24 A C 2.135 179.724 177.584 0.008 0.000 1.181 24 A CA 1.603 53.677 52.037 0.062 0.000 0.623 24 A CB -0.640 18.406 19.000 0.078 0.000 0.818 24 A HN 0.238 nan 8.150 nan 0.000 0.443 25 Q N -1.110 118.692 119.800 0.004 0.000 2.046 25 Q HA -0.153 4.188 4.340 0.001 0.000 0.200 25 Q C 2.380 178.365 176.000 -0.025 0.000 0.975 25 Q CA 1.483 57.279 55.803 -0.012 0.000 0.836 25 Q CB -0.219 28.508 28.738 -0.019 0.000 0.896 25 Q HN 0.706 nan 8.270 nan 0.000 0.428 26 R N 0.908 121.393 120.500 -0.026 0.000 2.083 26 R HA -0.147 4.193 4.340 0.001 0.000 0.237 26 R C 2.129 178.385 176.300 -0.072 0.000 1.137 26 R CA 1.220 57.296 56.100 -0.039 0.000 0.951 26 R CB -0.176 30.109 30.300 -0.025 0.000 0.851 26 R HN 0.219 nan 8.270 nan 0.000 0.434 27 L N 0.169 121.334 121.223 -0.097 0.000 2.027 27 L HA -0.126 4.214 4.340 0.001 0.000 0.206 27 L C 2.115 178.879 176.870 -0.178 0.000 1.074 27 L CA 1.693 56.434 54.840 -0.165 0.000 0.745 27 L CB -0.725 41.197 42.059 -0.228 0.000 0.898 27 L HN 0.369 nan 8.230 nan 0.000 0.433 28 N N 0.441 119.108 118.700 -0.054 0.000 2.069 28 N HA -0.188 4.552 4.740 0.001 0.000 0.191 28 N C 1.926 177.407 175.510 -0.048 0.000 1.031 28 N CA 1.194 54.256 53.050 0.021 0.000 0.852 28 N CB -0.084 38.431 38.487 0.047 0.000 1.018 28 N HN 0.249 nan 8.380 nan 0.000 0.423 29 I N 0.854 121.394 120.570 -0.049 0.000 2.394 29 I HA -0.205 3.966 4.170 0.001 0.000 0.251 29 I C 2.181 178.251 176.117 -0.077 0.000 1.136 29 I CA 0.636 61.909 61.300 -0.045 0.000 1.425 29 I CB -0.101 37.881 38.000 -0.029 0.000 1.079 29 I HN 0.234 nan 8.210 nan 0.000 0.425 30 L N 0.547 121.700 121.223 -0.117 0.000 2.027 30 L HA -0.182 4.158 4.340 0.001 0.000 0.206 30 L C 2.838 179.607 176.870 -0.168 0.000 1.074 30 L CA 1.470 56.231 54.840 -0.131 0.000 0.745 30 L CB -0.358 41.615 42.059 -0.144 0.000 0.898 30 L HN 0.236 nan 8.230 nan 0.000 0.433 31 A N -0.226 122.424 122.820 -0.284 0.000 1.908 31 A HA -0.237 4.084 4.320 0.001 0.000 0.218 31 A C 2.417 179.921 177.584 -0.134 0.000 1.181 31 A CA 1.875 53.731 52.037 -0.301 0.000 0.627 31 A CB -0.801 17.824 19.000 -0.624 0.000 0.818 31 A HN 0.519 nan 8.150 nan 0.000 0.445 32 A N -0.499 122.266 122.820 -0.091 0.000 1.877 32 A HA -0.153 4.167 4.320 0.001 0.000 0.216 32 A C 2.263 179.820 177.584 -0.045 0.000 1.186 32 A CA 1.417 53.429 52.037 -0.041 0.000 0.620 32 A CB -0.488 18.501 19.000 -0.019 0.000 0.822 32 A HN 0.482 nan 8.150 nan 0.000 0.443 33 R N -0.514 119.954 120.500 -0.054 0.000 2.091 33 R HA -0.096 4.245 4.340 0.001 0.000 0.238 33 R C 2.040 178.311 176.300 -0.049 0.000 1.136 33 R CA 1.653 57.725 56.100 -0.048 0.000 0.959 33 R CB -0.636 29.635 30.300 -0.048 0.000 0.856 33 R HN 0.621 nan 8.270 nan 0.000 0.437 34 I N 0.301 120.835 120.570 -0.060 0.000 2.252 34 I HA -0.257 3.914 4.170 0.001 0.000 0.245 34 I C 2.228 178.319 176.117 -0.042 0.000 1.102 34 I CA 0.867 62.135 61.300 -0.053 0.000 1.385 34 I CB -0.212 37.749 38.000 -0.065 0.000 1.064 34 I HN 0.028 nan 8.210 nan 0.000 0.414 35 I N 1.013 121.558 120.570 -0.041 0.000 2.361 35 I HA -0.254 3.917 4.170 0.001 0.000 0.251 35 I C 2.555 178.656 176.117 -0.027 0.000 1.133 35 I CA 1.467 62.751 61.300 -0.028 0.000 1.413 35 I CB -0.505 37.484 38.000 -0.018 0.000 1.073 35 I HN 0.142 nan 8.210 nan 0.000 0.424 36 A N -0.486 122.315 122.820 -0.032 0.000 1.897 36 A HA -0.182 4.139 4.320 0.001 0.000 0.215 36 A C 2.220 179.783 177.584 -0.034 0.000 1.181 36 A CA 1.438 53.455 52.037 -0.033 0.000 0.620 36 A CB -0.624 18.354 19.000 -0.038 0.000 0.821 36 A HN 0.458 nan 8.150 nan 0.000 0.443 37 E N -0.649 119.530 120.200 -0.035 0.000 2.204 37 E HA -0.123 4.227 4.350 0.001 0.000 0.195 37 E C 1.866 178.449 176.600 -0.029 0.000 0.990 37 E CA 1.494 57.874 56.400 -0.033 0.000 0.821 37 E CB -0.229 29.451 29.700 -0.033 0.000 0.750 37 E HN 0.601 nan 8.360 nan 0.000 0.477 38 T N 0.289 114.826 114.554 -0.028 0.000 2.857 38 T HA -0.100 4.250 4.350 0.001 0.000 0.266 38 T C 2.044 176.730 174.700 -0.023 0.000 1.048 38 T CA 1.356 63.442 62.100 -0.024 0.000 1.139 38 T CB 0.048 68.903 68.868 -0.022 0.000 0.874 38 T HN 0.202 nan 8.240 nan 0.000 0.455 39 V N 1.271 121.170 119.914 -0.025 0.000 3.506 39 V HA 0.161 4.281 4.120 0.001 0.000 0.263 39 V C 2.257 178.334 176.094 -0.028 0.000 1.203 39 V CA 0.410 62.696 62.300 -0.024 0.000 1.133 39 V CB -0.735 31.074 31.823 -0.023 0.000 0.802 39 V HN 0.424 nan 8.190 nan 0.000 0.459 40 R N 2.534 123.016 120.500 -0.031 0.000 2.096 40 R HA -0.125 4.216 4.340 0.001 0.000 0.235 40 R C 2.038 178.318 176.300 -0.034 0.000 1.127 40 R CA 1.934 58.013 56.100 -0.035 0.000 0.968 40 R CB -1.898 28.379 30.300 -0.038 0.000 0.861 40 R HN 0.604 nan 8.270 nan 0.000 0.440 41 T N -3.079 111.458 114.554 -0.029 0.000 3.139 41 T HA -0.058 4.292 4.350 0.001 0.000 0.267 41 T C 1.552 176.237 174.700 -0.026 0.000 1.164 41 T CA 1.388 63.472 62.100 -0.027 0.000 1.075 41 T CB 0.009 68.864 68.868 -0.023 0.000 0.904 41 T HN 0.302 nan 8.240 nan 0.000 0.540 42 T N 0.290 114.828 114.554 -0.027 0.000 3.014 42 T HA 0.355 4.706 4.350 0.001 0.000 0.250 42 T C 0.387 175.068 174.700 -0.031 0.000 1.060 42 T CA -0.574 61.511 62.100 -0.026 0.000 1.040 42 T CB -0.302 68.552 68.868 -0.023 0.000 0.971 42 T HN 0.355 nan 8.240 nan 0.000 0.497 43 L N 2.278 123.478 121.223 -0.038 0.000 2.453 43 L HA 0.508 4.848 4.340 0.001 0.000 0.272 43 L C 0.693 177.527 176.870 -0.059 0.000 1.182 43 L CA 1.457 56.270 54.840 -0.046 0.000 0.858 43 L CB -0.273 41.757 42.059 -0.049 0.000 1.120 43 L HN 0.412 nan 8.230 nan 0.000 0.474 44 G N 4.089 112.848 108.800 -0.068 0.000 2.746 44 G HA2 -0.147 3.814 3.960 0.001 0.000 0.685 44 G HA3 -0.147 3.814 3.960 0.001 0.000 0.685 44 G C -2.127 172.706 174.900 -0.111 0.000 1.350 44 G CA -0.285 44.755 45.100 -0.100 0.000 0.837 44 G HN 0.640 nan 8.290 nan 0.000 0.564 45 P HA 0.074 nan 4.420 nan 0.000 0.239 45 P C 0.818 178.030 177.300 -0.146 0.000 1.184 45 P CA 1.015 63.998 63.100 -0.195 0.000 0.760 45 P CB 0.196 31.626 31.700 -0.449 0.000 0.884 46 K N -0.332 119.986 120.400 -0.137 0.000 2.438 46 K HA 0.303 4.624 4.320 0.001 0.000 0.206 46 K C 0.944 177.530 176.600 -0.024 0.000 1.081 46 K CA -0.084 56.175 56.287 -0.047 0.000 1.053 46 K CB 0.223 32.679 32.500 -0.074 0.000 0.908 46 K HN -0.007 nan 8.250 nan 0.000 0.556 47 G N 0.780 109.558 108.800 -0.037 0.000 2.569 47 G HA2 0.289 4.250 3.960 0.001 0.000 0.249 47 G HA3 0.289 4.250 3.960 0.001 0.000 0.249 47 G C -0.110 174.783 174.900 -0.011 0.000 1.216 47 G CA -0.351 44.733 45.100 -0.026 0.000 0.845 47 G HN -0.035 nan 8.290 nan 0.000 0.568 48 M N 0.125 119.718 119.600 -0.011 0.000 2.705 48 M HA 0.445 4.925 4.480 0.001 0.000 0.272 48 M C -0.270 176.023 176.300 -0.011 0.000 1.172 48 M CA -0.738 54.557 55.300 -0.007 0.000 0.901 48 M CB 1.410 34.006 32.600 -0.008 0.000 1.516 48 M HN 0.422 nan 8.290 nan 0.000 0.530 49 D N 0.178 120.571 120.400 -0.011 0.000 2.506 49 D HA 0.572 5.213 4.640 0.001 0.000 0.254 49 D C -0.800 175.489 176.300 -0.018 0.000 1.089 49 D CA -0.485 53.506 54.000 -0.014 0.000 1.050 49 D CB 1.216 42.008 40.800 -0.013 0.000 1.221 49 D HN 0.266 nan 8.370 nan 0.000 0.589 50 K N 0.065 120.454 120.400 -0.020 0.000 2.371 50 K HA 0.488 4.809 4.320 0.001 0.000 0.251 50 K C -0.734 175.850 176.600 -0.028 0.000 0.934 50 K CA -0.684 55.590 56.287 -0.022 0.000 0.798 50 K CB 2.881 35.370 32.500 -0.018 0.000 1.204 50 K HN 0.274 nan 8.250 nan 0.000 0.427 51 M N 4.558 124.138 119.600 -0.034 0.000 2.149 51 M HA 0.356 4.837 4.480 0.001 0.000 0.342 51 M C -1.693 174.588 176.300 -0.032 0.000 1.068 51 M CA -0.730 54.542 55.300 -0.047 0.000 0.991 51 M CB 0.503 33.064 32.600 -0.064 0.000 1.596 51 M HN 0.520 nan 8.290 nan 0.000 0.439 52 L N 6.148 127.356 121.223 -0.024 0.000 2.325 52 L HA 0.587 4.927 4.340 0.001 0.000 0.281 52 L C -0.996 175.871 176.870 -0.005 0.000 1.004 52 L CA -0.948 53.885 54.840 -0.012 0.000 0.823 52 L CB 1.678 43.734 42.059 -0.005 0.000 1.236 52 L HN 0.388 nan 8.230 nan 0.000 0.415 53 V N 2.023 121.935 119.914 -0.004 0.000 2.347 53 V HA 0.242 4.362 4.120 0.001 0.000 0.280 53 V C -0.162 175.935 176.094 0.006 0.000 1.021 53 V CA -0.802 61.499 62.300 0.003 0.000 0.847 53 V CB 1.436 33.258 31.823 -0.001 0.000 0.990 53 V HN 0.792 nan 8.190 nan 0.000 0.444 54 D N 3.627 124.033 120.400 0.011 0.000 2.447 54 D HA 0.092 4.733 4.640 0.001 0.000 0.265 54 D C 1.466 177.771 176.300 0.009 0.000 1.250 54 D CA 0.073 54.079 54.000 0.010 0.000 1.046 54 D CB 0.563 41.370 40.800 0.011 0.000 1.095 54 D HN 0.433 nan 8.370 nan 0.000 0.555 55 S N -1.166 114.538 115.700 0.008 0.000 2.469 55 S HA -0.105 4.365 4.470 0.001 0.000 0.238 55 S C 1.827 176.432 174.600 0.008 0.000 0.998 55 S CA 0.438 58.643 58.200 0.007 0.000 0.957 55 S CB -0.593 62.611 63.200 0.006 0.000 0.764 55 S HN 0.518 nan 8.310 nan 0.000 0.514 56 L N 0.325 121.554 121.223 0.010 0.000 2.477 56 L HA 0.332 4.673 4.340 0.001 0.000 0.220 56 L C 1.909 178.786 176.870 0.013 0.000 1.106 56 L CA 0.529 55.375 54.840 0.010 0.000 0.851 56 L CB -0.387 41.679 42.059 0.010 0.000 0.994 56 L HN 0.602 nan 8.230 nan 0.000 0.462 57 G N -0.299 108.510 108.800 0.015 0.000 2.163 57 G HA2 -0.187 3.773 3.960 0.001 0.000 0.213 57 G HA3 -0.187 3.773 3.960 0.001 0.000 0.213 57 G C -0.157 174.760 174.900 0.029 0.000 0.991 57 G CA -0.469 44.642 45.100 0.019 0.000 0.653 57 G HN 0.269 nan 8.290 nan 0.000 0.518 58 D N 0.542 120.961 120.400 0.031 0.000 2.304 58 D HA 0.442 5.082 4.640 0.001 0.000 0.250 58 D C 0.733 177.071 176.300 0.062 0.000 1.107 58 D CA 0.236 54.265 54.000 0.048 0.000 0.885 58 D CB 1.346 42.168 40.800 0.036 0.000 1.192 58 D HN 0.299 nan 8.370 nan 0.000 0.436 59 I N 1.643 122.282 120.570 0.115 0.000 2.359 59 I HA 0.197 4.368 4.170 0.001 0.000 0.294 59 I C -0.152 176.051 176.117 0.143 0.000 0.987 59 I CA -0.792 60.567 61.300 0.098 0.000 1.225 59 I CB 1.698 39.720 38.000 0.037 0.000 1.366 59 I HN -0.070 nan 8.210 nan 0.000 0.466 60 V N 7.044 126.987 119.914 0.048 0.000 2.380 60 V HA 0.294 4.415 4.120 0.001 0.000 0.286 60 V C -0.183 175.910 176.094 -0.000 0.000 1.015 60 V CA -0.650 61.682 62.300 0.055 0.000 0.834 60 V CB 1.604 33.449 31.823 0.037 0.000 1.009 60 V HN 0.400 nan 8.190 nan 0.000 0.428 61 V N 4.307 124.214 119.914 -0.011 0.000 2.370 61 V HA 0.782 4.903 4.120 0.001 0.000 0.279 61 V C 0.250 176.342 176.094 -0.003 0.000 1.029 61 V CA 0.219 62.495 62.300 -0.041 0.000 0.870 61 V CB 1.511 33.275 31.823 -0.098 0.000 0.984 61 V HN 0.982 nan 8.190 nan 0.000 0.451 62 T N 2.786 117.335 114.554 -0.009 0.000 2.693 62 T HA 0.292 4.642 4.350 0.001 0.000 0.304 62 T C 0.160 174.854 174.700 -0.010 0.000 1.471 62 T CA -0.229 61.868 62.100 -0.005 0.000 0.993 62 T CB 1.979 70.845 68.868 -0.003 0.000 1.554 62 T HN 0.619 nan 8.240 nan 0.000 0.496 63 N N 0.214 118.908 118.700 -0.010 0.000 2.239 63 N HA 0.038 4.778 4.740 0.001 0.000 0.208 63 N C -0.291 175.210 175.510 -0.015 0.000 1.200 63 N CA -0.091 52.952 53.050 -0.012 0.000 0.895 63 N CB 0.515 38.997 38.487 -0.009 0.000 1.085 63 N HN 0.716 nan 8.380 nan 0.000 0.500 64 D N 0.596 120.987 120.400 -0.016 0.000 2.487 64 D HA -0.002 4.639 4.640 0.001 0.000 0.243 64 D C 1.145 177.435 176.300 -0.016 0.000 1.154 64 D CA 0.338 54.328 54.000 -0.017 0.000 0.876 64 D CB 1.422 42.210 40.800 -0.020 0.000 1.161 64 D HN 0.353 nan 8.370 nan 0.000 0.478 65 G N 3.561 112.351 108.800 -0.017 0.000 2.421 65 G HA2 -0.229 3.732 3.960 0.001 0.000 0.216 65 G HA3 -0.229 3.732 3.960 0.001 0.000 0.216 65 G C 1.471 176.363 174.900 -0.013 0.000 1.171 65 G CA 1.136 46.227 45.100 -0.016 0.000 0.775 65 G HN 0.648 nan 8.290 nan 0.000 0.543 66 A N 0.379 123.192 122.820 -0.012 0.000 1.883 66 A HA -0.068 4.252 4.320 0.001 0.000 0.217 66 A C 2.545 180.124 177.584 -0.008 0.000 1.186 66 A CA 2.636 54.667 52.037 -0.009 0.000 0.624 66 A CB -1.122 17.873 19.000 -0.008 0.000 0.822 66 A HN 0.319 nan 8.150 nan 0.000 0.444 67 T N 0.479 115.027 114.554 -0.009 0.000 2.652 67 T HA -0.151 4.199 4.350 0.001 0.000 0.267 67 T C 1.811 176.508 174.700 -0.005 0.000 1.039 67 T CA 1.579 63.674 62.100 -0.007 0.000 1.153 67 T CB -0.505 68.358 68.868 -0.009 0.000 0.863 67 T HN 0.425 nan 8.240 nan 0.000 0.428 68 I N 0.601 121.166 120.570 -0.007 0.000 2.069 68 I HA -0.204 3.966 4.170 0.001 0.000 0.237 68 I C 2.274 178.389 176.117 -0.005 0.000 1.053 68 I CA 1.212 62.508 61.300 -0.007 0.000 1.311 68 I CB -0.473 37.521 38.000 -0.010 0.000 1.030 68 I HN 0.146 nan 8.210 nan 0.000 0.398 69 L N 0.553 121.772 121.223 -0.005 0.000 2.187 69 L HA -0.265 4.075 4.340 0.001 0.000 0.213 69 L C 2.024 178.894 176.870 0.000 0.000 1.100 69 L CA 1.937 56.775 54.840 -0.003 0.000 0.765 69 L CB -1.055 41.002 42.059 -0.004 0.000 0.904 69 L HN 0.337 nan 8.230 nan 0.000 0.437 70 D N -1.262 119.138 120.400 -0.000 0.000 2.137 70 D HA -0.131 4.509 4.640 0.001 0.000 0.202 70 D C 2.030 178.332 176.300 0.002 0.000 0.970 70 D CA 0.878 54.879 54.000 0.001 0.000 0.837 70 D CB 0.246 41.046 40.800 0.000 0.000 0.981 70 D HN -0.015 nan 8.370 nan 0.000 0.475 71 K N 0.148 120.549 120.400 0.002 0.000 2.155 71 K HA 0.055 4.375 4.320 0.001 0.000 0.203 71 K C 0.723 177.325 176.600 0.004 0.000 1.052 71 K CA 0.172 56.461 56.287 0.004 0.000 0.948 71 K CB -0.079 32.423 32.500 0.005 0.000 0.728 71 K HN 0.334 nan 8.250 nan 0.000 0.448 72 I N 2.461 123.033 120.570 0.002 0.000 2.692 72 I HA -0.100 4.071 4.170 0.001 0.000 0.284 72 I C 0.533 176.652 176.117 0.005 0.000 1.159 72 I CA -0.089 61.213 61.300 0.002 0.000 1.423 72 I CB 0.316 38.317 38.000 0.001 0.000 1.380 72 I HN -0.048 nan 8.210 nan 0.000 0.580 73 D N 7.591 127.994 120.400 0.006 0.000 2.522 73 D HA 0.240 4.880 4.640 0.001 0.000 0.218 73 D C -0.204 176.103 176.300 0.011 0.000 1.149 73 D CA -0.232 53.772 54.000 0.007 0.000 0.981 73 D CB -0.037 40.767 40.800 0.007 0.000 1.041 73 D HN 0.256 nan 8.370 nan 0.000 0.518 74 L N 2.477 123.708 121.223 0.013 0.000 2.456 74 L HA 0.061 4.401 4.340 0.001 0.000 0.272 74 L C 1.649 178.534 176.870 0.024 0.000 1.189 74 L CA -0.291 54.562 54.840 0.021 0.000 0.846 74 L CB 0.914 42.988 42.059 0.024 0.000 1.111 74 L HN 0.281 nan 8.230 nan 0.000 0.475 75 Q N 0.724 120.547 119.800 0.038 0.000 2.389 75 Q HA 0.033 4.374 4.340 0.001 0.000 0.198 75 Q C 0.337 176.360 176.000 0.037 0.000 0.967 75 Q CA 0.421 56.245 55.803 0.034 0.000 0.863 75 Q CB -0.174 28.588 28.738 0.039 0.000 0.987 75 Q HN 0.599 nan 8.270 nan 0.000 0.557 76 H N 4.240 123.300 119.070 -0.016 0.000 3.094 76 H HA -0.043 4.514 4.556 0.001 0.000 0.320 76 H C -1.370 173.945 175.328 -0.022 0.000 1.000 76 H CA -0.490 55.542 56.048 -0.026 0.000 1.413 76 H CB 0.974 30.712 29.762 -0.041 0.000 1.405 76 H HN -0.011 nan 8.280 nan 0.000 0.586 77 P HA -0.230 nan 4.420 nan 0.000 0.215 77 P C 1.027 178.324 177.300 -0.003 0.000 1.153 77 P CA 1.936 64.936 63.100 -0.167 0.000 0.853 77 P CB -0.018 31.545 31.700 -0.228 0.000 0.788 78 A N 0.552 123.465 122.820 0.156 0.000 1.978 78 A HA -0.077 4.244 4.320 0.001 0.000 0.220 78 A C 2.518 180.197 177.584 0.158 0.000 1.170 78 A CA 2.186 54.354 52.037 0.219 0.000 0.636 78 A CB -1.487 17.694 19.000 0.302 0.000 0.810 78 A HN 0.262 nan 8.150 nan 0.000 0.448 79 A N -0.126 122.816 122.820 0.203 0.000 1.898 79 A HA -0.122 4.198 4.320 0.001 0.000 0.216 79 A C 2.070 179.687 177.584 0.054 0.000 1.181 79 A CA 1.606 53.697 52.037 0.089 0.000 0.620 79 A CB -0.390 18.662 19.000 0.086 0.000 0.819 79 A HN 0.524 nan 8.150 nan 0.000 0.442 80 K N -0.623 119.807 120.400 0.050 0.000 2.209 80 K HA -0.086 4.234 4.320 0.001 0.000 0.204 80 K C 1.965 178.578 176.600 0.021 0.000 1.048 80 K CA 1.280 57.581 56.287 0.024 0.000 0.940 80 K CB -0.273 32.233 32.500 0.010 0.000 0.729 80 K HN 0.454 nan 8.250 nan 0.000 0.451 81 M N 0.109 119.726 119.600 0.029 0.000 2.117 81 M HA -0.114 4.366 4.480 0.001 0.000 0.262 81 M C 2.112 178.425 176.300 0.021 0.000 1.065 81 M CA 1.385 56.700 55.300 0.025 0.000 1.114 81 M CB -0.572 32.048 32.600 0.033 0.000 1.361 81 M HN 0.150 nan 8.290 nan 0.000 0.408 82 M N -0.003 119.609 119.600 0.021 0.000 2.213 82 M HA -0.090 4.391 4.480 0.001 0.000 0.263 82 M C 2.295 178.600 176.300 0.008 0.000 1.062 82 M CA 1.114 56.421 55.300 0.012 0.000 1.105 82 M CB -1.476 31.128 32.600 0.006 0.000 1.385 82 M HN 0.104 nan 8.290 nan 0.000 0.417 83 V N 0.233 120.152 119.914 0.010 0.000 2.392 83 V HA -0.222 3.899 4.120 0.001 0.000 0.249 83 V C 2.470 178.567 176.094 0.006 0.000 1.059 83 V CA 1.534 63.838 62.300 0.006 0.000 1.051 83 V CB -0.734 31.094 31.823 0.008 0.000 0.658 83 V HN 0.361 nan 8.190 nan 0.000 0.455 84 E N 0.162 120.368 120.200 0.009 0.000 2.110 84 E HA -0.143 4.207 4.350 0.001 0.000 0.193 84 E C 2.257 178.862 176.600 0.008 0.000 0.988 84 E CA 1.173 57.579 56.400 0.009 0.000 0.804 84 E CB -0.408 29.299 29.700 0.012 0.000 0.745 84 E HN 0.514 nan 8.360 nan 0.000 0.458 85 V N 1.432 121.351 119.914 0.008 0.000 2.237 85 V HA -0.262 3.858 4.120 0.001 0.000 0.245 85 V C 2.484 178.579 176.094 0.001 0.000 1.046 85 V CA 1.984 64.288 62.300 0.005 0.000 1.007 85 V CB -1.101 30.723 31.823 0.003 0.000 0.638 85 V HN 0.260 nan 8.190 nan 0.000 0.445 86 A N -0.326 122.493 122.820 -0.002 0.000 1.908 86 A HA -0.307 4.013 4.320 0.001 0.000 0.218 86 A C 2.364 179.947 177.584 -0.002 0.000 1.181 86 A CA 2.421 54.456 52.037 -0.005 0.000 0.627 86 A CB -0.560 18.437 19.000 -0.006 0.000 0.818 86 A HN 0.545 nan 8.150 nan 0.000 0.445 87 K N -1.129 119.272 120.400 0.001 0.000 2.026 87 K HA -0.128 4.192 4.320 0.001 0.000 0.208 87 K C 2.044 178.646 176.600 0.004 0.000 1.048 87 K CA 1.822 58.110 56.287 0.002 0.000 0.929 87 K CB -0.324 32.178 32.500 0.004 0.000 0.713 87 K HN 0.449 nan 8.250 nan 0.000 0.439 88 T N 1.330 115.887 114.554 0.005 0.000 2.788 88 T HA -0.125 4.226 4.350 0.001 0.000 0.268 88 T C 1.787 176.491 174.700 0.006 0.000 1.044 88 T CA 0.865 62.969 62.100 0.007 0.000 1.139 88 T CB -0.100 68.774 68.868 0.010 0.000 0.867 88 T HN 0.231 nan 8.240 nan 0.000 0.454 89 Q N 1.184 120.986 119.800 0.004 0.000 2.045 89 Q HA -0.158 4.182 4.340 0.001 0.000 0.206 89 Q C 2.239 178.240 176.000 0.002 0.000 0.991 89 Q CA 1.500 57.304 55.803 0.002 0.000 0.851 89 Q CB -0.768 27.968 28.738 -0.003 0.000 0.911 89 Q HN 0.580 nan 8.270 nan 0.000 0.418 90 D N -0.333 120.067 120.400 0.000 0.000 2.123 90 D HA -0.183 4.458 4.640 0.001 0.000 0.196 90 D C 1.472 177.775 176.300 0.005 0.000 0.992 90 D CA 1.076 55.076 54.000 0.000 0.000 0.833 90 D CB 0.412 41.211 40.800 -0.002 0.000 0.954 90 D HN 0.086 nan 8.370 nan 0.000 0.455 91 K N 0.501 120.905 120.400 0.007 0.000 2.025 91 K HA -0.123 4.198 4.320 0.001 0.000 0.207 91 K C 2.184 178.791 176.600 0.012 0.000 1.049 91 K CA 0.809 57.102 56.287 0.010 0.000 0.933 91 K CB -0.431 32.075 32.500 0.010 0.000 0.714 91 K HN 0.112 nan 8.250 nan 0.000 0.438 92 E N 0.347 120.553 120.200 0.010 0.000 2.028 92 E HA -0.024 4.327 4.350 0.001 0.000 0.190 92 E C 1.464 178.070 176.600 0.011 0.000 0.984 92 E CA 1.542 57.949 56.400 0.011 0.000 0.800 92 E CB 0.026 29.732 29.700 0.011 0.000 0.758 92 E HN 0.295 nan 8.360 nan 0.000 0.448 93 A N -1.927 120.899 122.820 0.009 0.000 2.358 93 A HA 0.577 4.898 4.320 0.001 0.000 0.223 93 A C 1.493 179.081 177.584 0.007 0.000 1.218 93 A CA 0.953 52.995 52.037 0.008 0.000 0.942 93 A CB 0.240 19.243 19.000 0.006 0.000 1.005 93 A HN 0.342 nan 8.150 nan 0.000 0.514 94 G N 0.225 109.028 108.800 0.005 0.000 4.269 94 G HA2 -0.272 3.688 3.960 0.001 0.000 0.290 94 G HA3 -0.272 3.688 3.960 0.001 0.000 0.290 94 G C -0.088 174.810 174.900 -0.003 0.000 1.570 94 G CA 0.266 45.368 45.100 0.003 0.000 1.072 94 G HN 0.437 nan 8.290 nan 0.000 0.681 95 D N 2.194 122.592 120.400 -0.003 0.000 2.361 95 D HA 0.466 5.106 4.640 0.001 0.000 0.239 95 D C 1.380 177.674 176.300 -0.009 0.000 1.200 95 D CA 1.918 55.914 54.000 -0.008 0.000 0.915 95 D CB 0.470 41.267 40.800 -0.007 0.000 1.170 95 D HN 1.881 nan 8.370 nan 0.000 0.444 96 G N -0.161 108.631 108.800 -0.014 0.000 2.144 96 G HA2 -0.306 3.654 3.960 0.001 0.000 0.218 96 G HA3 -0.306 3.654 3.960 0.001 0.000 0.218 96 G C 1.110 175.999 174.900 -0.018 0.000 0.988 96 G CA 0.996 46.086 45.100 -0.017 0.000 0.659 96 G HN 0.581 nan 8.290 nan 0.000 0.522 97 T N -2.326 112.218 114.554 -0.016 0.000 2.674 97 T HA -0.104 4.247 4.350 0.001 0.000 0.265 97 T C 2.229 176.917 174.700 -0.020 0.000 1.039 97 T CA 2.590 64.681 62.100 -0.015 0.000 1.150 97 T CB -0.750 68.110 68.868 -0.014 0.000 0.864 97 T HN 0.287 nan 8.240 nan 0.000 0.427 98 T N 2.502 117.042 114.554 -0.023 0.000 2.652 98 T HA -0.139 4.212 4.350 0.001 0.000 0.267 98 T C 2.477 177.157 174.700 -0.034 0.000 1.039 98 T CA 2.363 64.446 62.100 -0.028 0.000 1.153 98 T CB -1.136 67.715 68.868 -0.029 0.000 0.863 98 T HN 0.827 nan 8.240 nan 0.000 0.428 99 T N 1.112 115.644 114.554 -0.037 0.000 2.803 99 T HA -0.049 4.301 4.350 0.001 0.000 0.269 99 T C 2.178 176.849 174.700 -0.049 0.000 1.052 99 T CA 1.359 63.432 62.100 -0.045 0.000 1.136 99 T CB -0.561 68.279 68.868 -0.045 0.000 0.864 99 T HN 0.340 nan 8.240 nan 0.000 0.467 100 A N 0.867 123.665 122.820 -0.038 0.000 1.902 100 A HA 0.103 4.423 4.320 0.001 0.000 0.217 100 A C 2.665 180.225 177.584 -0.039 0.000 1.181 100 A CA 1.616 53.631 52.037 -0.036 0.000 0.623 100 A CB -1.028 17.959 19.000 -0.021 0.000 0.818 100 A HN 0.444 nan 8.150 nan 0.000 0.443 101 V N -0.505 119.389 119.914 -0.033 0.000 2.427 101 V HA -0.191 3.929 4.120 0.001 0.000 0.248 101 V C 2.567 178.636 176.094 -0.042 0.000 1.051 101 V CA 1.796 64.078 62.300 -0.030 0.000 1.048 101 V CB -0.505 31.304 31.823 -0.023 0.000 0.666 101 V HN 0.367 nan 8.190 nan 0.000 0.456 102 V N -0.112 119.773 119.914 -0.049 0.000 2.295 102 V HA -0.254 3.866 4.120 0.001 0.000 0.246 102 V C 2.179 178.227 176.094 -0.077 0.000 1.049 102 V CA 2.195 64.460 62.300 -0.057 0.000 1.024 102 V CB -0.409 31.379 31.823 -0.057 0.000 0.648 102 V HN 0.436 nan 8.190 nan 0.000 0.447 103 I N 0.312 120.826 120.570 -0.094 0.000 2.226 103 I HA -0.247 3.924 4.170 0.001 0.000 0.245 103 I C 2.662 178.693 176.117 -0.144 0.000 1.100 103 I CA 1.476 62.690 61.300 -0.142 0.000 1.374 103 I CB -0.603 37.300 38.000 -0.162 0.000 1.057 103 I HN 0.308 nan 8.210 nan 0.000 0.413 104 A N 0.963 123.726 122.820 -0.095 0.000 1.902 104 A HA -0.139 4.182 4.320 0.001 0.000 0.217 104 A C 2.427 179.983 177.584 -0.047 0.000 1.181 104 A CA 1.952 53.951 52.037 -0.063 0.000 0.623 104 A CB -1.368 17.615 19.000 -0.029 0.000 0.818 104 A HN 0.467 nan 8.150 nan 0.000 0.443 105 G N -0.572 108.199 108.800 -0.049 0.000 2.421 105 G HA2 -0.228 3.733 3.960 0.001 0.000 0.216 105 G HA3 -0.228 3.733 3.960 0.001 0.000 0.216 105 G C 1.468 176.342 174.900 -0.043 0.000 1.171 105 G CA 1.287 46.363 45.100 -0.039 0.000 0.775 105 G HN 0.555 nan 8.290 nan 0.000 0.543 106 E N 0.356 120.515 120.200 -0.069 0.000 2.077 106 E HA -0.049 4.301 4.350 0.001 0.000 0.193 106 E C 2.553 179.112 176.600 -0.069 0.000 0.989 106 E CA 0.689 57.044 56.400 -0.075 0.000 0.800 106 E CB -0.419 29.217 29.700 -0.106 0.000 0.746 106 E HN 0.430 nan 8.360 nan 0.000 0.452 107 L N -0.061 121.093 121.223 -0.115 0.000 1.990 107 L HA -0.242 4.098 4.340 0.001 0.000 0.213 107 L C 2.549 179.502 176.870 0.138 0.000 1.072 107 L CA 1.330 56.116 54.840 -0.091 0.000 0.755 107 L CB -0.531 41.401 42.059 -0.211 0.000 0.889 107 L HN 0.260 nan 8.230 nan 0.000 0.432 108 L N -0.786 120.494 121.223 0.095 0.000 2.083 108 L HA -0.239 4.102 4.340 0.001 0.000 0.209 108 L C 2.853 179.759 176.870 0.059 0.000 1.083 108 L CA 1.153 56.049 54.840 0.094 0.000 0.752 108 L CB -0.592 41.494 42.059 0.045 0.000 0.899 108 L HN 0.298 nan 8.230 nan 0.000 0.433 109 R N 0.553 121.071 120.500 0.029 0.000 2.091 109 R HA -0.169 4.171 4.340 0.001 0.000 0.238 109 R C 2.229 178.548 176.300 0.032 0.000 1.136 109 R CA 1.366 57.474 56.100 0.014 0.000 0.959 109 R CB 0.019 30.315 30.300 -0.007 0.000 0.856 109 R HN 0.263 nan 8.270 nan 0.000 0.437 110 K N -0.066 120.370 120.400 0.059 0.000 2.155 110 K HA -0.025 4.296 4.320 0.001 0.000 0.203 110 K C 1.997 178.663 176.600 0.111 0.000 1.052 110 K CA 1.023 57.360 56.287 0.084 0.000 0.948 110 K CB -0.082 32.478 32.500 0.100 0.000 0.728 110 K HN 0.227 nan 8.250 nan 0.000 0.448 111 A N 1.627 124.534 122.820 0.144 0.000 1.902 111 A HA -0.202 4.118 4.320 0.001 0.000 0.217 111 A C 2.098 179.677 177.584 -0.008 0.000 1.181 111 A CA 1.642 53.702 52.037 0.038 0.000 0.623 111 A CB -0.407 18.581 19.000 -0.019 0.000 0.818 111 A HN 0.419 nan 8.150 nan 0.000 0.443 112 E N -0.007 120.196 120.200 0.006 0.000 2.204 112 E HA -0.216 4.135 4.350 0.001 0.000 0.195 112 E C 1.779 178.375 176.600 -0.007 0.000 0.990 112 E CA 1.239 57.633 56.400 -0.009 0.000 0.821 112 E CB -0.127 29.568 29.700 -0.009 0.000 0.750 112 E HN 0.750 nan 8.360 nan 0.000 0.477 113 E N 0.149 120.352 120.200 0.006 0.000 2.110 113 E HA -0.186 4.165 4.350 0.001 0.000 0.193 113 E C 2.138 178.739 176.600 0.002 0.000 0.988 113 E CA 0.976 57.380 56.400 0.006 0.000 0.804 113 E CB -0.003 29.707 29.700 0.017 0.000 0.745 113 E HN 0.384 nan 8.360 nan 0.000 0.458 114 L N 0.385 121.607 121.223 -0.002 0.000 2.131 114 L HA -0.134 4.207 4.340 0.001 0.000 0.206 114 L C 2.276 179.132 176.870 -0.023 0.000 1.087 114 L CA 0.231 55.065 54.840 -0.011 0.000 0.767 114 L CB -0.267 41.780 42.059 -0.021 0.000 0.917 114 L HN 0.183 nan 8.230 nan 0.000 0.441 115 L N -0.076 121.127 121.223 -0.034 0.000 2.042 115 L HA -0.268 4.073 4.340 0.001 0.000 0.210 115 L C 2.323 179.176 176.870 -0.029 0.000 1.076 115 L CA 1.825 56.639 54.840 -0.043 0.000 0.749 115 L CB -1.248 40.783 42.059 -0.047 0.000 0.893 115 L HN 0.377 nan 8.230 nan 0.000 0.432 116 D N -0.559 119.830 120.400 -0.019 0.000 2.178 116 D HA -0.224 4.417 4.640 0.001 0.000 0.202 116 D C 1.984 178.278 176.300 -0.009 0.000 0.974 116 D CA 0.674 54.666 54.000 -0.013 0.000 0.841 116 D CB 0.326 41.121 40.800 -0.009 0.000 0.953 116 D HN 0.423 nan 8.370 nan 0.000 0.478 117 Q N 0.355 120.150 119.800 -0.007 0.000 2.482 117 Q HA -0.029 4.311 4.340 0.001 0.000 0.209 117 Q C -0.214 175.784 176.000 -0.002 0.000 0.961 117 Q CA 0.273 56.074 55.803 -0.002 0.000 0.945 117 Q CB -0.123 28.615 28.738 0.001 0.000 1.012 117 Q HN 0.256 nan 8.270 nan 0.000 0.515 118 N N -0.141 118.554 118.700 -0.008 0.000 2.815 118 N HA -0.139 4.601 4.740 0.001 0.000 0.249 118 N C -1.094 174.417 175.510 0.002 0.000 1.114 118 N CA 0.006 53.051 53.050 -0.008 0.000 0.717 118 N CB -0.514 37.973 38.487 -0.001 0.000 1.074 118 N HN 0.229 nan 8.380 nan 0.000 0.555 119 I N 1.618 122.187 120.570 -0.001 0.000 2.416 119 I HA 0.030 4.200 4.170 0.001 0.000 0.288 119 I C 1.282 177.415 176.117 0.027 0.000 1.051 119 I CA 0.058 61.368 61.300 0.017 0.000 1.375 119 I CB 0.200 38.200 38.000 0.001 0.000 1.407 119 I HN 0.181 nan 8.210 nan 0.000 0.516 120 H N 8.749 127.803 119.070 -0.027 0.000 3.001 120 H HA 0.020 4.577 4.556 0.001 0.000 0.334 120 H C -1.582 173.722 175.328 -0.041 0.000 1.034 120 H CA -0.366 55.666 56.048 -0.027 0.000 1.420 120 H CB 0.971 30.720 29.762 -0.021 0.000 1.405 120 H HN 0.357 nan 8.280 nan 0.000 0.593 121 P HA -0.248 nan 4.420 nan 0.000 0.216 121 P C 1.482 178.837 177.300 0.092 0.000 1.153 121 P CA 2.197 65.257 63.100 -0.066 0.000 0.858 121 P CB 0.064 31.665 31.700 -0.165 0.000 0.789 122 S N -1.357 114.561 115.700 0.364 0.000 2.419 122 S HA -0.140 4.331 4.470 0.001 0.000 0.233 122 S C 1.916 176.564 174.600 0.079 0.000 1.016 122 S CA 1.067 59.377 58.200 0.184 0.000 0.974 122 S CB -1.489 61.786 63.200 0.126 0.000 0.786 122 S HN 0.079 nan 8.310 nan 0.000 0.492 123 I N 1.027 121.650 120.570 0.089 0.000 2.333 123 I HA -0.034 4.136 4.170 0.001 0.000 0.246 123 I C 2.362 178.469 176.117 -0.016 0.000 1.106 123 I CA 0.995 62.309 61.300 0.022 0.000 1.411 123 I CB -0.343 37.673 38.000 0.026 0.000 1.082 123 I HN 0.274 nan 8.210 nan 0.000 0.420 124 I N 0.407 120.943 120.570 -0.057 0.000 2.208 124 I HA -0.290 3.881 4.170 0.001 0.000 0.245 124 I C 2.578 178.545 176.117 -0.250 0.000 1.097 124 I CA 1.535 62.718 61.300 -0.196 0.000 1.363 124 I CB -0.665 37.175 38.000 -0.266 0.000 1.051 124 I HN 0.211 nan 8.210 nan 0.000 0.413 125 T N 0.509 114.985 114.554 -0.129 0.000 2.746 125 T HA -0.235 4.115 4.350 0.001 0.000 0.267 125 T C 1.967 176.688 174.700 0.034 0.000 1.039 125 T CA 1.618 63.693 62.100 -0.041 0.000 1.142 125 T CB -0.149 68.722 68.868 0.005 0.000 0.866 125 T HN 0.306 nan 8.240 nan 0.000 0.444 126 K N 0.264 120.677 120.400 0.022 0.000 2.057 126 K HA -0.069 4.252 4.320 0.001 0.000 0.207 126 K C 2.462 179.096 176.600 0.056 0.000 1.049 126 K CA 1.472 57.781 56.287 0.035 0.000 0.931 126 K CB -0.556 31.954 32.500 0.016 0.000 0.714 126 K HN 0.343 nan 8.250 nan 0.000 0.440 127 G N -0.099 108.736 108.800 0.058 0.000 2.418 127 G HA2 -0.245 3.715 3.960 0.001 0.000 0.217 127 G HA3 -0.245 3.715 3.960 0.001 0.000 0.217 127 G C 1.347 176.374 174.900 0.212 0.000 1.158 127 G CA 0.833 45.997 45.100 0.106 0.000 0.771 127 G HN 0.404 nan 8.290 nan 0.000 0.545 128 Y N 0.833 121.151 120.300 0.030 0.000 2.242 128 Y HA -0.062 4.489 4.550 0.001 0.000 0.291 128 Y C 3.240 179.064 175.900 -0.126 0.000 1.137 128 Y CA 0.297 58.416 58.100 0.032 0.000 1.181 128 Y CB 0.077 38.662 38.460 0.209 0.000 0.989 128 Y HN 0.313 nan 8.280 nan 0.000 0.527 129 A N 0.217 123.109 122.820 0.120 0.000 1.898 129 A HA -0.148 4.172 4.320 0.001 0.000 0.216 129 A C 2.156 179.721 177.584 -0.033 0.000 1.181 129 A CA 1.131 53.188 52.037 0.034 0.000 0.620 129 A CB -0.951 18.082 19.000 0.055 0.000 0.819 129 A HN 0.441 nan 8.150 nan 0.000 0.442 130 L N -0.734 120.492 121.223 0.005 0.000 2.017 130 L HA -0.224 4.116 4.340 0.001 0.000 0.208 130 L C 3.133 179.999 176.870 -0.008 0.000 1.073 130 L CA 1.209 56.082 54.840 0.056 0.000 0.745 130 L CB -0.535 41.604 42.059 0.132 0.000 0.894 130 L HN 0.450 nan 8.230 nan 0.000 0.432 131 A N -0.223 122.505 122.820 -0.154 0.000 1.902 131 A HA -0.172 4.149 4.320 0.001 0.000 0.217 131 A C 2.469 179.622 177.584 -0.718 0.000 1.181 131 A CA 1.759 53.530 52.037 -0.443 0.000 0.623 131 A CB -0.673 17.854 19.000 -0.788 0.000 0.818 131 A HN 0.431 nan 8.150 nan 0.000 0.443 132 A N -0.393 121.982 122.820 -0.741 0.000 1.929 132 A HA -0.105 4.216 4.320 0.001 0.000 0.216 132 A C 1.917 179.392 177.584 -0.181 0.000 1.176 132 A CA 1.489 53.281 52.037 -0.409 0.000 0.628 132 A CB -0.403 18.508 19.000 -0.149 0.000 0.816 132 A HN 0.633 nan 8.150 nan 0.000 0.444 133 E N -0.578 119.527 120.200 -0.159 0.000 2.072 133 E HA -0.176 4.174 4.350 0.001 0.000 0.190 133 E C 2.020 178.527 176.600 -0.155 0.000 0.982 133 E CA 1.225 57.559 56.400 -0.110 0.000 0.803 133 E CB -0.081 29.573 29.700 -0.076 0.000 0.755 133 E HN 0.430 nan 8.360 nan 0.000 0.453 134 K N 1.373 121.627 120.400 -0.244 0.000 2.147 134 K HA -0.089 4.232 4.320 0.001 0.000 0.205 134 K C 1.783 178.245 176.600 -0.229 0.000 1.049 134 K CA 1.281 57.355 56.287 -0.355 0.000 0.936 134 K CB -0.331 31.752 32.500 -0.696 0.000 0.722 134 K HN 0.097 nan 8.250 nan 0.000 0.446 135 A N 0.400 123.118 122.820 -0.170 0.000 1.933 135 A HA -0.161 4.160 4.320 0.001 0.000 0.218 135 A C 1.977 179.532 177.584 -0.048 0.000 1.175 135 A CA 1.349 53.343 52.037 -0.072 0.000 0.628 135 A CB -0.434 18.570 19.000 0.006 0.000 0.814 135 A HN 0.348 nan 8.150 nan 0.000 0.444 136 Q N -0.033 119.733 119.800 -0.056 0.000 2.119 136 Q HA -0.153 4.188 4.340 0.001 0.000 0.201 136 Q C 1.838 177.812 176.000 -0.043 0.000 0.972 136 Q CA 1.628 57.410 55.803 -0.035 0.000 0.847 136 Q CB -0.375 28.344 28.738 -0.031 0.000 0.903 136 Q HN 0.829 nan 8.270 nan 0.000 0.433 137 E N 0.430 120.588 120.200 -0.069 0.000 2.072 137 E HA -0.116 4.234 4.350 0.001 0.000 0.191 137 E C 2.166 178.733 176.600 -0.054 0.000 0.985 137 E CA 0.761 57.121 56.400 -0.066 0.000 0.801 137 E CB -0.140 29.503 29.700 -0.095 0.000 0.750 137 E HN 0.310 nan 8.360 nan 0.000 0.452 138 I N 1.192 121.724 120.570 -0.065 0.000 2.179 138 I HA -0.289 3.882 4.170 0.001 0.000 0.242 138 I C 2.458 178.564 176.117 -0.018 0.000 1.088 138 I CA 1.058 62.333 61.300 -0.041 0.000 1.357 138 I CB -0.286 37.689 38.000 -0.043 0.000 1.051 138 I HN 0.102 nan 8.210 nan 0.000 0.409 139 L N 0.318 121.532 121.223 -0.015 0.000 2.017 139 L HA -0.252 4.088 4.340 0.001 0.000 0.208 139 L C 2.218 179.086 176.870 -0.003 0.000 1.073 139 L CA 1.356 56.194 54.840 -0.003 0.000 0.745 139 L CB -0.702 41.357 42.059 -0.000 0.000 0.894 139 L HN 0.278 nan 8.230 nan 0.000 0.432 140 D N -0.394 120.001 120.400 -0.009 0.000 2.144 140 D HA -0.228 4.413 4.640 0.001 0.000 0.199 140 D C 2.026 178.323 176.300 -0.005 0.000 0.984 140 D CA 1.212 55.208 54.000 -0.007 0.000 0.834 140 D CB 0.021 40.814 40.800 -0.011 0.000 0.955 140 D HN 0.434 nan 8.370 nan 0.000 0.465 141 E N 0.495 120.690 120.200 -0.009 0.000 2.112 141 E HA -0.095 4.255 4.350 0.001 0.000 0.190 141 E C 2.208 178.808 176.600 0.000 0.000 0.979 141 E CA 0.520 56.916 56.400 -0.007 0.000 0.814 141 E CB 0.044 29.736 29.700 -0.013 0.000 0.762 141 E HN 0.424 nan 8.360 nan 0.000 0.460 142 I N -1.859 118.713 120.570 0.005 0.000 3.603 142 I HA 0.316 4.486 4.170 0.001 0.000 0.297 142 I C 0.935 177.060 176.117 0.013 0.000 1.269 142 I CA -0.222 61.086 61.300 0.012 0.000 1.361 142 I CB -0.075 37.939 38.000 0.024 0.000 1.063 142 I HN -0.097 nan 8.210 nan 0.000 0.448 143 A N 2.525 125.351 122.820 0.010 0.000 2.565 143 A HA 0.243 4.564 4.320 0.001 0.000 0.237 143 A C 0.164 177.755 177.584 0.011 0.000 1.053 143 A CA 0.226 52.269 52.037 0.011 0.000 0.755 143 A CB -0.412 18.593 19.000 0.009 0.000 0.980 143 A HN 0.475 nan 8.150 nan 0.000 0.506 144 I N 4.533 125.111 120.570 0.013 0.000 2.281 144 I HA 0.134 4.305 4.170 0.001 0.000 0.293 144 I C 0.227 176.352 176.117 0.013 0.000 1.085 144 I CA -0.521 60.787 61.300 0.012 0.000 1.257 144 I CB 0.211 38.219 38.000 0.013 0.000 1.430 144 I HN 0.555 nan 8.210 nan 0.000 0.489 145 R N 5.439 125.946 120.500 0.013 0.000 2.442 145 R HA 0.416 4.757 4.340 0.001 0.000 0.291 145 R C -0.312 175.999 176.300 0.017 0.000 1.069 145 R CA -0.278 55.831 56.100 0.015 0.000 1.022 145 R CB 1.054 31.362 30.300 0.013 0.000 0.976 145 R HN 0.423 nan 8.270 nan 0.000 0.443 146 V N 1.962 121.889 119.914 0.021 0.000 3.160 146 V HA 0.325 4.446 4.120 0.001 0.000 0.310 146 V C -1.237 174.877 176.094 0.033 0.000 1.181 146 V CA -1.032 61.283 62.300 0.024 0.000 1.047 146 V CB 2.563 34.399 31.823 0.022 0.000 1.068 146 V HN 0.907 nan 8.190 nan 0.000 0.441 147 D N 3.688 124.110 120.400 0.037 0.000 2.295 147 D HA 0.316 4.957 4.640 0.001 0.000 0.248 147 D C -2.053 174.290 176.300 0.072 0.000 1.154 147 D CA -1.621 52.411 54.000 0.053 0.000 0.857 147 D CB 1.476 42.306 40.800 0.050 0.000 1.117 147 D HN 0.245 nan 8.370 nan 0.000 0.468 148 P HA -0.277 nan 4.420 nan 0.000 0.233 148 P C 0.323 177.661 177.300 0.062 0.000 1.141 148 P CA 2.153 65.337 63.100 0.140 0.000 0.951 148 P CB 0.047 31.948 31.700 0.335 0.000 0.778 149 D N -3.352 117.103 120.400 0.090 0.000 2.424 149 D HA 0.057 4.698 4.640 0.001 0.000 0.220 149 D C -0.155 176.153 176.300 0.013 0.000 1.150 149 D CA -0.324 53.677 54.000 0.001 0.000 0.831 149 D CB -1.017 39.800 40.800 0.028 0.000 0.981 149 D HN 0.090 nan 8.370 nan 0.000 0.500 150 D N 1.630 122.045 120.400 0.025 0.000 2.359 150 D HA -0.083 4.558 4.640 0.001 0.000 0.273 150 D C 1.207 177.511 176.300 0.007 0.000 1.362 150 D CA 0.236 54.248 54.000 0.020 0.000 1.010 150 D CB 0.538 41.351 40.800 0.022 0.000 1.090 150 D HN 0.254 nan 8.370 nan 0.000 0.521 151 E N 2.981 123.184 120.200 0.004 0.000 2.114 151 E HA -0.317 4.033 4.350 0.001 0.000 0.199 151 E C 1.417 178.020 176.600 0.004 0.000 1.008 151 E CA 1.373 57.773 56.400 -0.000 0.000 0.810 151 E CB 0.132 29.833 29.700 0.002 0.000 0.739 151 E HN 0.769 nan 8.360 nan 0.000 0.456 152 E N -0.531 119.674 120.200 0.009 0.000 2.038 152 E HA -0.204 4.146 4.350 0.001 0.000 0.195 152 E C 1.972 178.579 176.600 0.011 0.000 1.000 152 E CA 1.993 58.400 56.400 0.011 0.000 0.803 152 E CB -0.101 29.606 29.700 0.012 0.000 0.750 152 E HN 0.172 nan 8.360 nan 0.000 0.448 153 T N 1.550 116.110 114.554 0.011 0.000 2.652 153 T HA -0.152 4.198 4.350 0.001 0.000 0.267 153 T C 1.898 176.604 174.700 0.009 0.000 1.039 153 T CA 1.550 63.657 62.100 0.011 0.000 1.153 153 T CB -0.288 68.588 68.868 0.012 0.000 0.863 153 T HN 0.174 nan 8.240 nan 0.000 0.428 154 L N 0.418 121.643 121.223 0.003 0.000 2.043 154 L HA -0.114 4.226 4.340 0.001 0.000 0.212 154 L C 2.499 179.372 176.870 0.005 0.000 1.075 154 L CA 1.234 56.073 54.840 -0.002 0.000 0.752 154 L CB -0.706 41.344 42.059 -0.015 0.000 0.891 154 L HN 0.266 nan 8.230 nan 0.000 0.432 155 L N -0.487 120.740 121.223 0.008 0.000 2.141 155 L HA -0.192 4.149 4.340 0.001 0.000 0.209 155 L C 2.621 179.502 176.870 0.018 0.000 1.094 155 L CA 1.268 56.116 54.840 0.014 0.000 0.763 155 L CB -0.371 41.697 42.059 0.014 0.000 0.908 155 L HN 0.206 nan 8.230 nan 0.000 0.437 156 K N -0.346 120.064 120.400 0.017 0.000 2.103 156 K HA -0.135 4.186 4.320 0.001 0.000 0.204 156 K C 2.055 178.666 176.600 0.019 0.000 1.052 156 K CA 1.003 57.302 56.287 0.020 0.000 0.945 156 K CB -0.082 32.429 32.500 0.019 0.000 0.722 156 K HN 0.074 nan 8.250 nan 0.000 0.443 157 I N 1.358 121.937 120.570 0.015 0.000 2.179 157 I HA -0.263 3.908 4.170 0.001 0.000 0.242 157 I C 2.218 178.345 176.117 0.016 0.000 1.088 157 I CA 1.289 62.597 61.300 0.014 0.000 1.357 157 I CB -0.352 37.654 38.000 0.010 0.000 1.051 157 I HN 0.105 nan 8.210 nan 0.000 0.409 158 A N -0.111 122.720 122.820 0.018 0.000 1.898 158 A HA -0.087 4.234 4.320 0.001 0.000 0.216 158 A C 2.473 180.073 177.584 0.027 0.000 1.181 158 A CA 1.711 53.762 52.037 0.023 0.000 0.620 158 A CB -1.134 17.881 19.000 0.026 0.000 0.819 158 A HN 0.441 nan 8.150 nan 0.000 0.442 159 A N -0.936 121.901 122.820 0.029 0.000 1.902 159 A HA -0.077 4.244 4.320 0.001 0.000 0.217 159 A C 2.287 179.894 177.584 0.038 0.000 1.181 159 A CA 2.244 54.303 52.037 0.036 0.000 0.623 159 A CB -1.270 17.752 19.000 0.036 0.000 0.818 159 A HN 0.415 nan 8.150 nan 0.000 0.443 160 T N -0.424 114.148 114.554 0.030 0.000 2.788 160 T HA -0.138 4.213 4.350 0.001 0.000 0.268 160 T C 2.265 176.976 174.700 0.018 0.000 1.044 160 T CA 1.693 63.808 62.100 0.025 0.000 1.139 160 T CB -0.306 68.572 68.868 0.016 0.000 0.867 160 T HN 0.581 nan 8.240 nan 0.000 0.454 161 S N 0.983 116.693 115.700 0.016 0.000 2.345 161 S HA -0.027 4.443 4.470 0.001 0.000 0.220 161 S C 2.029 176.637 174.600 0.014 0.000 1.031 161 S CA 0.859 59.065 58.200 0.011 0.000 0.996 161 S CB -0.496 62.711 63.200 0.011 0.000 0.882 161 S HN 0.502 nan 8.310 nan 0.000 0.445 162 I N 1.438 122.022 120.570 0.023 0.000 2.567 162 I HA -0.081 4.090 4.170 0.001 0.000 0.257 162 I C 0.710 176.848 176.117 0.036 0.000 1.184 162 I CA 0.469 61.786 61.300 0.028 0.000 1.451 162 I CB -0.785 37.238 38.000 0.038 0.000 1.089 162 I HN 0.262 nan 8.210 nan 0.000 0.441 163 T N 0.832 115.412 114.554 0.044 0.000 2.930 163 T HA 0.302 4.652 4.350 0.001 0.000 0.306 163 T C 1.103 175.829 174.700 0.044 0.000 1.045 163 T CA 0.718 62.859 62.100 0.068 0.000 1.134 163 T CB 1.138 70.062 68.868 0.095 0.000 0.961 163 T HN 0.596 nan 8.240 nan 0.000 0.545 164 G N 1.923 110.763 108.800 0.066 0.000 2.176 164 G HA2 -0.214 3.746 3.960 0.001 0.000 0.253 164 G HA3 -0.214 3.746 3.960 0.001 0.000 0.253 164 G C 0.029 174.943 174.900 0.023 0.000 0.979 164 G CA 0.187 45.307 45.100 0.034 0.000 0.641 164 G HN 0.664 nan 8.290 nan 0.000 0.530 165 K N -0.875 119.541 120.400 0.027 0.000 2.306 165 K HA 0.531 4.852 4.320 0.001 0.000 0.236 165 K C 1.040 177.654 176.600 0.024 0.000 1.013 165 K CA -0.439 55.859 56.287 0.018 0.000 0.857 165 K CB 0.921 33.428 32.500 0.012 0.000 1.214 165 K HN 0.011 nan 8.250 nan 0.000 0.449 166 N N 1.025 119.738 118.700 0.020 0.000 2.061 166 N HA -0.235 4.506 4.740 0.001 0.000 0.193 166 N C 1.453 176.986 175.510 0.038 0.000 1.030 166 N CA 2.126 55.191 53.050 0.026 0.000 0.856 166 N CB -0.117 38.386 38.487 0.028 0.000 1.023 166 N HN 0.642 nan 8.380 nan 0.000 0.424 167 A N 0.715 123.564 122.820 0.049 0.000 2.121 167 A HA -0.163 4.158 4.320 0.001 0.000 0.218 167 A C 1.784 179.404 177.584 0.060 0.000 1.154 167 A CA 1.494 53.581 52.037 0.084 0.000 0.679 167 A CB -0.871 18.174 19.000 0.076 0.000 0.795 167 A HN 0.732 nan 8.150 nan 0.000 0.458 168 E N 0.273 120.493 120.200 0.032 0.000 2.236 168 E HA -0.278 4.073 4.350 0.001 0.000 0.205 168 E C 1.623 178.201 176.600 -0.036 0.000 1.028 168 E CA 1.756 58.169 56.400 0.021 0.000 0.827 168 E CB -0.751 28.974 29.700 0.043 0.000 0.735 168 E HN 0.470 nan 8.360 nan 0.000 0.470 169 S N 0.321 115.952 115.700 -0.115 0.000 2.440 169 S HA -0.141 4.329 4.470 0.001 0.000 0.238 169 S C 0.851 175.174 174.600 -0.462 0.000 1.010 169 S CA 1.247 59.260 58.200 -0.311 0.000 0.972 169 S CB -0.285 62.655 63.200 -0.433 0.000 0.774 169 S HN 0.482 nan 8.310 nan 0.000 0.501 170 H N 0.132 119.209 119.070 0.011 0.000 2.575 170 H HA 0.204 4.760 4.556 0.001 0.000 0.256 170 H C 1.201 176.540 175.328 0.017 0.000 1.162 170 H CA -0.010 56.045 56.048 0.013 0.000 0.969 170 H CB 0.101 29.872 29.762 0.015 0.000 1.796 170 H HN 0.524 nan 8.280 nan 0.000 0.607 171 K N 0.864 121.314 120.400 0.083 0.000 2.281 171 K HA -0.155 4.166 4.320 0.001 0.000 0.203 171 K C 1.620 178.257 176.600 0.062 0.000 1.046 171 K CA 1.449 57.777 56.287 0.069 0.000 0.938 171 K CB 0.455 32.985 32.500 0.050 0.000 0.737 171 K HN 0.215 nan 8.250 nan 0.000 0.458 172 E N 0.765 121.001 120.200 0.059 0.000 2.072 172 E HA -0.167 4.183 4.350 0.001 0.000 0.190 172 E C 1.932 178.563 176.600 0.052 0.000 0.982 172 E CA 0.797 57.226 56.400 0.048 0.000 0.803 172 E CB 0.003 29.727 29.700 0.040 0.000 0.755 172 E HN 0.356 nan 8.360 nan 0.000 0.453 173 L N 1.046 122.310 121.223 0.068 0.000 2.005 173 L HA -0.130 4.210 4.340 0.001 0.000 0.207 173 L C 2.200 179.103 176.870 0.055 0.000 1.072 173 L CA 1.563 56.437 54.840 0.057 0.000 0.744 173 L CB -0.583 41.511 42.059 0.059 0.000 0.895 173 L HN 0.186 nan 8.230 nan 0.000 0.433 174 L N -0.328 120.936 121.223 0.069 0.000 2.079 174 L HA -0.202 4.138 4.340 0.001 0.000 0.210 174 L C 2.698 179.604 176.870 0.059 0.000 1.081 174 L CA 1.194 56.074 54.840 0.066 0.000 0.752 174 L CB -1.141 40.961 42.059 0.073 0.000 0.896 174 L HN 0.428 nan 8.230 nan 0.000 0.433 175 A N 0.306 123.158 122.820 0.052 0.000 1.877 175 A HA -0.258 4.062 4.320 0.001 0.000 0.216 175 A C 2.433 180.038 177.584 0.036 0.000 1.186 175 A CA 1.992 54.054 52.037 0.042 0.000 0.620 175 A CB -0.492 18.530 19.000 0.037 0.000 0.822 175 A HN 0.332 nan 8.150 nan 0.000 0.443 176 K N -0.266 120.154 120.400 0.034 0.000 2.063 176 K HA -0.139 4.181 4.320 0.001 0.000 0.208 176 K C 1.908 178.523 176.600 0.025 0.000 1.048 176 K CA 1.637 57.940 56.287 0.026 0.000 0.928 176 K CB -0.338 32.177 32.500 0.026 0.000 0.713 176 K HN 0.506 nan 8.250 nan 0.000 0.442 177 L N 0.250 121.494 121.223 0.035 0.000 2.027 177 L HA -0.144 4.197 4.340 0.001 0.000 0.206 177 L C 2.702 179.595 176.870 0.039 0.000 1.074 177 L CA 1.155 56.017 54.840 0.037 0.000 0.745 177 L CB -0.694 41.397 42.059 0.053 0.000 0.898 177 L HN 0.284 nan 8.230 nan 0.000 0.433 178 A N 0.163 123.018 122.820 0.058 0.000 1.859 178 A HA -0.196 4.124 4.320 0.001 0.000 0.217 178 A C 2.352 179.952 177.584 0.026 0.000 1.198 178 A CA 2.223 54.298 52.037 0.064 0.000 0.629 178 A CB -1.056 17.987 19.000 0.072 0.000 0.830 178 A HN 0.174 nan 8.150 nan 0.000 0.446 179 V N 0.048 119.971 119.914 0.015 0.000 2.255 179 V HA -0.320 3.801 4.120 0.001 0.000 0.247 179 V C 2.471 178.553 176.094 -0.020 0.000 1.051 179 V CA 2.474 64.770 62.300 -0.006 0.000 1.018 179 V CB -0.980 30.841 31.823 -0.003 0.000 0.641 179 V HN 0.649 nan 8.190 nan 0.000 0.445 180 E N -0.025 120.169 120.200 -0.011 0.000 2.085 180 E HA -0.236 4.115 4.350 0.001 0.000 0.194 180 E C 2.332 178.914 176.600 -0.030 0.000 0.994 180 E CA 1.370 57.760 56.400 -0.017 0.000 0.801 180 E CB -0.346 29.350 29.700 -0.007 0.000 0.743 180 E HN 0.613 nan 8.360 nan 0.000 0.453 181 A N 0.746 123.547 122.820 -0.030 0.000 1.902 181 A HA -0.156 4.165 4.320 0.001 0.000 0.217 181 A C 2.473 180.022 177.584 -0.059 0.000 1.181 181 A CA 1.308 53.313 52.037 -0.052 0.000 0.623 181 A CB -0.587 18.372 19.000 -0.068 0.000 0.818 181 A HN 0.127 nan 8.150 nan 0.000 0.443 182 V N 0.438 120.321 119.914 -0.052 0.000 2.379 182 V HA -0.209 3.912 4.120 0.001 0.000 0.245 182 V C 2.457 178.491 176.094 -0.101 0.000 1.044 182 V CA 1.994 64.253 62.300 -0.067 0.000 1.036 182 V CB -0.601 31.187 31.823 -0.057 0.000 0.664 182 V HN 0.455 nan 8.190 nan 0.000 0.453 183 K N 0.095 120.434 120.400 -0.102 0.000 2.032 183 K HA -0.261 4.060 4.320 0.001 0.000 0.209 183 K C 2.209 178.756 176.600 -0.088 0.000 1.048 183 K CA 1.841 58.050 56.287 -0.130 0.000 0.927 183 K CB -0.310 32.136 32.500 -0.089 0.000 0.712 183 K HN 0.433 nan 8.250 nan 0.000 0.441 184 Q N 1.207 120.974 119.800 -0.055 0.000 2.050 184 Q HA -0.090 4.250 4.340 0.001 0.000 0.202 184 Q C 1.983 177.965 176.000 -0.029 0.000 0.980 184 Q CA 1.445 57.228 55.803 -0.032 0.000 0.840 184 Q CB -0.225 28.495 28.738 -0.029 0.000 0.898 184 Q HN 0.050 nan 8.270 nan 0.000 0.424 185 V N 0.880 120.768 119.914 -0.043 0.000 2.667 185 V HA 0.026 4.147 4.120 0.001 0.000 0.252 185 V C 1.051 177.134 176.094 -0.019 0.000 1.065 185 V CA 0.660 62.939 62.300 -0.035 0.000 1.083 185 V CB -1.148 30.645 31.823 -0.051 0.000 0.692 185 V HN 0.465 nan 8.190 nan 0.000 0.468 186 A N 0.855 123.651 122.820 -0.040 0.000 2.531 186 A HA 0.217 4.537 4.320 0.001 0.000 0.236 186 A C 0.263 177.909 177.584 0.103 0.000 1.062 186 A CA 0.242 52.270 52.037 -0.015 0.000 0.760 186 A CB 0.022 18.903 19.000 -0.199 0.000 0.995 186 A HN 0.386 nan 8.150 nan 0.000 0.501 187 E N 1.095 121.396 120.200 0.170 0.000 2.199 187 E HA 0.323 4.674 4.350 0.001 0.000 0.269 187 E C -0.691 176.050 176.600 0.236 0.000 0.899 187 E CA -0.608 55.893 56.400 0.168 0.000 0.772 187 E CB 1.905 31.656 29.700 0.084 0.000 1.155 187 E HN 0.676 nan 8.360 nan 0.000 0.408 188 K N 1.114 121.578 120.400 0.107 0.000 2.235 188 K HA 0.588 4.909 4.320 0.001 0.000 0.266 188 K C -0.501 176.031 176.600 -0.113 0.000 0.980 188 K CA -0.902 55.286 56.287 -0.165 0.000 0.849 188 K CB 1.469 33.680 32.500 -0.482 0.000 1.098 188 K HN 0.044 nan 8.250 nan 0.000 0.445 189 K N 3.141 123.477 120.400 -0.107 0.000 2.579 189 K HA 0.159 4.480 4.320 0.001 0.000 0.250 189 K C -1.258 175.297 176.600 -0.076 0.000 0.952 189 K CA -0.134 56.112 56.287 -0.068 0.000 0.857 189 K CB 0.671 33.154 32.500 -0.028 0.000 1.123 189 K HN 0.745 nan 8.250 nan 0.000 0.433 190 D N 3.927 124.281 120.400 -0.076 0.000 2.739 190 D HA -0.150 4.490 4.640 0.001 0.000 0.240 190 D C 0.513 176.760 176.300 -0.087 0.000 1.114 190 D CA 1.434 55.395 54.000 -0.065 0.000 0.695 190 D CB -1.184 39.591 40.800 -0.043 0.000 1.078 190 D HN 1.069 nan 8.370 nan 0.000 0.434 191 G N -0.628 108.094 108.800 -0.130 0.000 2.186 191 G HA2 -0.388 3.573 3.960 0.001 0.000 0.266 191 G HA3 -0.388 3.573 3.960 0.001 0.000 0.266 191 G C 0.392 175.182 174.900 -0.184 0.000 0.982 191 G CA 1.266 46.272 45.100 -0.156 0.000 0.670 191 G HN 0.443 nan 8.290 nan 0.000 0.533 192 K N -0.682 119.613 120.400 -0.175 0.000 2.207 192 K HA 0.727 5.048 4.320 0.001 0.000 0.255 192 K C -0.568 175.942 176.600 -0.149 0.000 0.941 192 K CA -0.711 55.507 56.287 -0.115 0.000 0.825 192 K CB 0.941 33.417 32.500 -0.040 0.000 1.119 192 K HN 0.192 nan 8.250 nan 0.000 0.430 193 Y N 0.994 121.296 120.300 0.003 0.000 2.387 193 Y HA 0.579 5.129 4.550 0.001 0.000 0.336 193 Y C -0.445 175.456 175.900 0.003 0.000 1.067 193 Y CA -0.991 57.111 58.100 0.003 0.000 1.114 193 Y CB 1.747 40.210 38.460 0.004 0.000 1.208 193 Y HN 0.094 nan 8.280 nan 0.000 0.458 194 V N 4.016 124.056 119.914 0.210 0.000 2.760 194 V HA 0.482 4.603 4.120 0.001 0.000 0.309 194 V C -1.071 175.073 176.094 0.083 0.000 1.077 194 V CA -0.906 61.459 62.300 0.108 0.000 0.910 194 V CB 1.942 33.806 31.823 0.069 0.000 1.008 194 V HN 0.447 nan 8.190 nan 0.000 0.424 195 V N 2.887 122.828 119.914 0.046 0.000 2.531 195 V HA 0.467 4.587 4.120 0.001 0.000 0.301 195 V C -0.729 175.374 176.094 0.014 0.000 1.034 195 V CA -0.507 61.804 62.300 0.019 0.000 0.865 195 V CB 1.977 33.796 31.823 -0.006 0.000 0.995 195 V HN 0.914 nan 8.190 nan 0.000 0.424 196 D N 4.480 124.884 120.400 0.007 0.000 2.412 196 D HA 0.212 4.853 4.640 0.001 0.000 0.224 196 D C 0.618 176.915 176.300 -0.005 0.000 1.093 196 D CA -0.497 53.505 54.000 0.004 0.000 0.850 196 D CB 1.813 42.614 40.800 0.002 0.000 1.046 196 D HN 0.249 nan 8.370 nan 0.000 0.507 197 L N 3.429 124.655 121.223 0.004 0.000 2.642 197 L HA -0.062 4.279 4.340 0.001 0.000 0.236 197 L C 1.336 178.200 176.870 -0.009 0.000 1.169 197 L CA 0.920 55.764 54.840 0.006 0.000 0.851 197 L CB -0.744 41.340 42.059 0.041 0.000 0.968 197 L HN 0.383 nan 8.230 nan 0.000 0.453 198 D N -0.916 119.476 120.400 -0.015 0.000 2.347 198 D HA -0.035 4.605 4.640 0.001 0.000 0.213 198 D C 1.266 177.534 176.300 -0.055 0.000 0.985 198 D CA 0.376 54.361 54.000 -0.025 0.000 0.879 198 D CB 0.062 40.852 40.800 -0.015 0.000 0.919 198 D HN 0.300 nan 8.370 nan 0.000 0.526 199 N N 0.394 119.059 118.700 -0.059 0.000 2.370 199 N HA 0.076 4.817 4.740 0.001 0.000 0.198 199 N C -0.034 175.405 175.510 -0.119 0.000 1.156 199 N CA 0.198 53.203 53.050 -0.076 0.000 0.839 199 N CB 1.105 39.559 38.487 -0.055 0.000 0.989 199 N HN 0.271 nan 8.380 nan 0.000 0.468 200 I N 1.000 121.474 120.570 -0.159 0.000 2.493 200 I HA 0.204 4.375 4.170 0.001 0.000 0.279 200 I C -0.498 175.367 176.117 -0.420 0.000 1.045 200 I CA -0.767 60.360 61.300 -0.288 0.000 1.106 200 I CB 1.288 39.107 38.000 -0.301 0.000 1.216 200 I HN -0.403 nan 8.210 nan 0.000 0.459 201 K N 5.035 125.204 120.400 -0.385 0.000 2.098 201 K HA 0.613 4.933 4.320 0.001 0.000 0.261 201 K C -1.044 175.254 176.600 -0.503 0.000 0.987 201 K CA -0.106 55.984 56.287 -0.329 0.000 0.916 201 K CB 0.834 33.224 32.500 -0.182 0.000 1.039 201 K HN 0.229 nan 8.250 nan 0.000 0.455 202 F N 1.330 121.257 119.950 -0.038 0.000 2.460 202 F HA 0.278 4.805 4.527 0.001 0.000 0.341 202 F C 0.416 176.192 175.800 -0.040 0.000 1.130 202 F CA -0.709 57.272 58.000 -0.032 0.000 0.962 202 F CB 1.610 40.597 39.000 -0.022 0.000 1.171 202 F HN 0.159 nan 8.300 nan 0.000 0.436 203 E N 4.026 124.288 120.200 0.103 0.000 2.151 203 E HA 0.352 4.703 4.350 0.001 0.000 0.275 203 E C -0.758 175.877 176.600 0.057 0.000 0.936 203 E CA -0.591 55.832 56.400 0.037 0.000 0.777 203 E CB 1.964 31.638 29.700 -0.044 0.000 1.108 203 E HN 0.579 nan 8.360 nan 0.000 0.401 204 K N 2.147 122.571 120.400 0.041 0.000 2.118 204 K HA 0.538 4.859 4.320 0.001 0.000 0.254 204 K C -0.428 176.184 176.600 0.020 0.000 0.961 204 K CA -0.798 55.508 56.287 0.032 0.000 0.876 204 K CB 1.387 33.897 32.500 0.017 0.000 1.077 204 K HN 0.092 nan 8.250 nan 0.000 0.440 205 K N 1.124 121.537 120.400 0.022 0.000 2.604 205 K HA 0.235 4.555 4.320 0.001 0.000 0.313 205 K C -1.514 175.098 176.600 0.020 0.000 1.206 205 K CA -0.063 56.237 56.287 0.023 0.000 1.059 205 K CB 1.220 33.745 32.500 0.040 0.000 1.363 205 K HN 0.758 nan 8.250 nan 0.000 0.494 206 A N 2.172 124.997 122.820 0.009 0.000 2.520 206 A HA 0.628 4.948 4.320 0.001 0.000 0.235 206 A C 0.628 178.220 177.584 0.013 0.000 1.065 206 A CA 1.235 53.276 52.037 0.008 0.000 0.764 206 A CB -0.129 18.871 19.000 0.000 0.000 1.002 206 A HN 1.258 nan 8.150 nan 0.000 0.502 207 G N 0.486 109.293 108.800 0.012 0.000 2.375 207 G HA2 0.474 4.435 3.960 0.001 0.000 0.663 207 G HA3 0.474 4.435 3.960 0.001 0.000 0.663 207 G C -0.514 174.391 174.900 0.008 0.000 1.391 207 G CA -0.052 45.056 45.100 0.012 0.000 0.949 207 G HN 1.523 nan 8.290 nan 0.000 0.646 208 E N -1.941 118.262 120.200 0.005 0.000 3.611 208 E HA -0.077 4.274 4.350 0.001 0.000 0.238 208 E C 0.684 177.281 176.600 -0.005 0.000 1.468 208 E CA 1.570 57.969 56.400 -0.001 0.000 2.235 208 E CB -1.354 28.343 29.700 -0.005 0.000 2.090 208 E HN 2.099 nan 8.360 nan 0.000 0.483 209 G N -1.326 107.460 108.800 -0.023 0.000 2.569 209 G HA2 0.491 4.451 3.960 0.001 0.000 0.300 209 G HA3 0.491 4.451 3.960 0.001 0.000 0.300 209 G C 0.799 175.637 174.900 -0.103 0.000 1.269 209 G CA -0.132 44.945 45.100 -0.039 0.000 0.959 209 G HN 0.265 nan 8.290 nan 0.000 0.478 210 V N 0.122 119.951 119.914 -0.141 0.000 2.527 210 V HA -0.191 3.930 4.120 0.001 0.000 0.255 210 V C 2.709 178.570 176.094 -0.389 0.000 1.081 210 V CA 2.500 64.670 62.300 -0.217 0.000 1.092 210 V CB -0.329 31.394 31.823 -0.168 0.000 0.673 210 V HN 0.823 nan 8.190 nan 0.000 0.470 211 E N 0.529 120.384 120.200 -0.575 0.000 2.265 211 E HA -0.217 4.133 4.350 0.001 0.000 0.196 211 E C 1.805 178.304 176.600 -0.169 0.000 0.996 211 E CA 1.088 57.226 56.400 -0.436 0.000 0.832 211 E CB -0.135 29.411 29.700 -0.256 0.000 0.756 211 E HN 0.600 nan 8.360 nan 0.000 0.491 212 E N -0.361 119.767 120.200 -0.119 0.000 2.489 212 E HA 0.145 4.496 4.350 0.001 0.000 0.193 212 E C -0.111 176.473 176.600 -0.028 0.000 1.057 212 E CA 0.042 56.410 56.400 -0.053 0.000 0.866 212 E CB 0.274 29.955 29.700 -0.033 0.000 0.916 212 E HN 0.012 nan 8.360 nan 0.000 0.500 213 S N 1.542 117.219 115.700 -0.038 0.000 2.563 213 S HA 0.122 4.593 4.470 0.001 0.000 0.284 213 S C 0.360 174.970 174.600 0.017 0.000 1.331 213 S CA 0.017 58.218 58.200 0.002 0.000 1.047 213 S CB 0.384 63.585 63.200 0.002 0.000 0.859 213 S HN 0.294 nan 8.310 nan 0.000 0.514 214 E N 0.892 121.117 120.200 0.040 0.000 2.458 214 E HA 0.563 4.914 4.350 0.001 0.000 0.278 214 E C -1.570 175.056 176.600 0.043 0.000 1.004 214 E CA -1.050 55.374 56.400 0.040 0.000 0.823 214 E CB 0.841 30.568 29.700 0.045 0.000 1.396 214 E HN 0.368 nan 8.360 nan 0.000 0.463 215 L N 2.165 123.407 121.223 0.031 0.000 2.305 215 L HA 0.460 4.801 4.340 0.001 0.000 0.284 215 L C -1.313 175.569 176.870 0.020 0.000 1.013 215 L CA -0.784 54.065 54.840 0.015 0.000 0.819 215 L CB 1.418 43.481 42.059 0.006 0.000 1.227 215 L HN 0.557 nan 8.230 nan 0.000 0.417 216 V N 6.668 126.589 119.914 0.012 0.000 2.311 216 V HA 0.388 4.509 4.120 0.001 0.000 0.275 216 V C 0.883 176.974 176.094 -0.004 0.000 1.022 216 V CA -0.632 61.685 62.300 0.029 0.000 0.830 216 V CB 1.008 32.863 31.823 0.054 0.000 1.012 216 V HN 0.657 nan 8.190 nan 0.000 0.452 217 R N 4.084 124.587 120.500 0.005 0.000 4.045 217 R HA 0.416 4.757 4.340 0.001 0.000 0.174 217 R C 0.859 177.154 176.300 -0.010 0.000 1.805 217 R CA 0.423 56.519 56.100 -0.006 0.000 1.368 217 R CB -0.127 30.178 30.300 0.008 0.000 1.362 217 R HN 0.961 nan 8.270 nan 0.000 0.777 218 G N -0.826 107.955 108.800 -0.032 0.000 2.552 218 G HA2 0.217 4.178 3.960 0.001 0.000 0.137 218 G HA3 0.217 4.178 3.960 0.001 0.000 0.137 218 G C -1.511 173.336 174.900 -0.088 0.000 1.135 218 G CA -0.529 44.542 45.100 -0.049 0.000 1.047 218 G HN 0.082 nan 8.290 nan 0.000 0.501 219 V N 0.042 119.888 119.914 -0.114 0.000 2.841 219 V HA 0.652 4.773 4.120 0.001 0.000 0.310 219 V C -0.595 175.366 176.094 -0.222 0.000 1.090 219 V CA -0.703 61.495 62.300 -0.170 0.000 0.930 219 V CB 1.849 33.546 31.823 -0.210 0.000 1.014 219 V HN 0.747 nan 8.190 nan 0.000 0.425 220 V N 5.318 125.065 119.914 -0.279 0.000 2.293 220 V HA 0.437 4.557 4.120 0.001 0.000 0.275 220 V C -0.288 175.621 176.094 -0.308 0.000 1.021 220 V CA -0.399 61.633 62.300 -0.448 0.000 0.815 220 V CB 1.188 32.665 31.823 -0.576 0.000 1.025 220 V HN 0.588 nan 8.190 nan 0.000 0.448 221 I N 3.221 123.645 120.570 -0.243 0.000 2.342 221 I HA 0.247 4.417 4.170 0.001 0.000 0.291 221 I C 0.451 176.509 176.117 -0.097 0.000 1.010 221 I CA -0.256 60.961 61.300 -0.138 0.000 1.308 221 I CB 1.281 39.238 38.000 -0.071 0.000 1.400 221 I HN 0.614 nan 8.210 nan 0.000 0.488 222 D N 7.383 127.741 120.400 -0.070 0.000 2.551 222 D HA 0.246 4.887 4.640 0.001 0.000 0.223 222 D C -0.251 176.049 176.300 -0.000 0.000 1.144 222 D CA 0.225 54.202 54.000 -0.039 0.000 1.025 222 D CB 0.169 40.949 40.800 -0.033 0.000 1.085 222 D HN 0.442 nan 8.370 nan 0.000 0.506 223 K N 1.110 121.524 120.400 0.022 0.000 2.428 223 K HA 0.400 4.720 4.320 0.001 0.000 0.279 223 K C -0.772 175.860 176.600 0.053 0.000 1.041 223 K CA -1.027 55.285 56.287 0.042 0.000 0.887 223 K CB 1.698 34.236 32.500 0.064 0.000 1.535 223 K HN 0.319 nan 8.250 nan 0.000 0.417 224 E N -0.512 119.716 120.200 0.047 0.000 2.416 224 E HA 0.386 4.736 4.350 0.001 0.000 0.273 224 E C -0.919 175.698 176.600 0.027 0.000 0.935 224 E CA -1.028 55.397 56.400 0.042 0.000 0.784 224 E CB 1.559 31.278 29.700 0.032 0.000 1.301 224 E HN 0.106 nan 8.360 nan 0.000 0.454 225 V N 2.638 122.563 119.914 0.019 0.000 2.458 225 V HA -0.074 4.046 4.120 0.001 0.000 0.287 225 V C 1.786 177.889 176.094 0.015 0.000 1.009 225 V CA 0.428 62.729 62.300 0.002 0.000 1.091 225 V CB 0.528 32.355 31.823 0.007 0.000 0.960 225 V HN 0.721 nan 8.190 nan 0.000 0.476 226 V N 1.825 121.750 119.914 0.019 0.000 2.469 226 V HA -0.137 3.983 4.120 0.001 0.000 0.251 226 V C 1.031 177.155 176.094 0.051 0.000 1.064 226 V CA 1.518 63.838 62.300 0.033 0.000 1.066 226 V CB -0.650 31.199 31.823 0.042 0.000 0.667 226 V HN 0.895 nan 8.190 nan 0.000 0.461 227 H N 1.686 120.748 119.070 -0.013 0.000 2.469 227 H HA 0.387 4.943 4.556 0.001 0.000 0.342 227 H C -1.868 173.454 175.328 -0.011 0.000 1.115 227 H CA -1.685 54.358 56.048 -0.009 0.000 1.204 227 H CB 2.586 32.341 29.762 -0.011 0.000 1.492 227 H HN 0.099 nan 8.280 nan 0.000 0.499 228 P HA -0.121 nan 4.420 nan 0.000 0.218 228 P C 1.248 178.602 177.300 0.091 0.000 1.149 228 P CA 0.948 64.016 63.100 -0.054 0.000 0.817 228 P CB 0.463 32.075 31.700 -0.147 0.000 0.785 229 R N -1.093 119.594 120.500 0.311 0.000 2.313 229 R HA 0.174 4.515 4.340 0.001 0.000 0.199 229 R C 1.140 177.507 176.300 0.112 0.000 0.958 229 R CA -0.033 56.190 56.100 0.205 0.000 1.047 229 R CB -0.320 30.104 30.300 0.206 0.000 0.955 229 R HN 0.204 nan 8.270 nan 0.000 0.481 230 M N 1.976 121.657 119.600 0.135 0.000 2.228 230 M HA 0.227 4.708 4.480 0.001 0.000 0.326 230 M C -1.890 174.426 176.300 0.027 0.000 1.122 230 M CA -1.847 53.478 55.300 0.042 0.000 1.161 230 M CB 0.610 33.234 32.600 0.041 0.000 1.437 230 M HN -0.093 nan 8.290 nan 0.000 0.465 231 P HA 0.070 nan 4.420 nan 0.000 0.272 231 P C -0.664 176.640 177.300 0.006 0.000 1.230 231 P CA -0.058 63.045 63.100 0.005 0.000 0.788 231 P CB 0.713 32.413 31.700 -0.000 0.000 0.949 232 K N 0.559 120.965 120.400 0.010 0.000 2.358 232 K HA 0.180 4.501 4.320 0.001 0.000 0.200 232 K C 0.836 177.446 176.600 0.017 0.000 1.030 232 K CA 0.150 56.446 56.287 0.015 0.000 1.097 232 K CB 0.660 33.170 32.500 0.016 0.000 0.862 232 K HN 0.483 nan 8.250 nan 0.000 0.534 233 R N 0.281 120.787 120.500 0.010 0.000 2.515 233 R HA 0.346 4.686 4.340 0.001 0.000 0.278 233 R C -1.775 174.527 176.300 0.005 0.000 1.107 233 R CA -0.300 55.806 56.100 0.009 0.000 0.945 233 R CB 1.657 31.959 30.300 0.003 0.000 1.219 233 R HN -0.230 nan 8.270 nan 0.000 0.434 234 V N 4.091 124.007 119.914 0.004 0.000 2.482 234 V HA 0.199 4.319 4.120 0.001 0.000 0.295 234 V C 0.523 176.614 176.094 -0.005 0.000 1.026 234 V CA -0.633 61.667 62.300 0.000 0.000 0.856 234 V CB 1.613 33.433 31.823 -0.005 0.000 1.001 234 V HN 0.891 nan 8.190 nan 0.000 0.424 235 E N 3.253 123.454 120.200 0.002 0.000 1.994 235 E HA -0.012 4.338 4.350 0.001 0.000 0.197 235 E C 0.898 177.495 176.600 -0.004 0.000 0.982 235 E CA 1.044 57.446 56.400 0.004 0.000 0.855 235 E CB 0.112 29.825 29.700 0.021 0.000 0.806 235 E HN 0.683 nan 8.360 nan 0.000 0.495 236 N N 1.237 119.965 118.700 0.046 0.000 3.259 236 N HA 0.168 4.908 4.740 0.001 0.000 0.308 236 N C -1.198 174.355 175.510 0.072 0.000 1.334 236 N CA 0.090 53.210 53.050 0.116 0.000 1.202 236 N CB 0.214 38.836 38.487 0.226 0.000 1.485 236 N HN 0.169 nan 8.380 nan 0.000 0.549 237 A N 1.210 123.998 122.820 -0.055 0.000 2.584 237 A HA -0.063 4.258 4.320 0.001 0.000 0.239 237 A C 0.456 178.046 177.584 0.010 0.000 1.043 237 A CA 0.517 52.532 52.037 -0.037 0.000 0.756 237 A CB 0.148 19.111 19.000 -0.063 0.000 0.963 237 A HN 0.334 nan 8.150 nan 0.000 0.511 238 K N 2.640 123.068 120.400 0.047 0.000 2.347 238 K HA 0.455 4.775 4.320 0.001 0.000 0.262 238 K C -1.029 175.603 176.600 0.054 0.000 1.052 238 K CA 0.117 56.447 56.287 0.073 0.000 0.946 238 K CB 1.118 33.654 32.500 0.060 0.000 1.220 238 K HN 0.651 nan 8.250 nan 0.000 0.450 239 I N 2.432 123.047 120.570 0.075 0.000 2.365 239 I HA 0.310 4.480 4.170 0.001 0.000 0.291 239 I C 0.108 176.288 176.117 0.104 0.000 1.004 239 I CA -0.566 60.798 61.300 0.107 0.000 1.311 239 I CB 1.564 39.660 38.000 0.159 0.000 1.401 239 I HN 0.519 nan 8.210 nan 0.000 0.491 240 A N 7.843 130.725 122.820 0.104 0.000 2.318 240 A HA 0.804 5.125 4.320 0.001 0.000 0.324 240 A C -0.717 176.948 177.584 0.134 0.000 1.170 240 A CA -0.525 51.564 52.037 0.087 0.000 0.810 240 A CB 0.763 19.790 19.000 0.045 0.000 1.198 240 A HN 0.710 nan 8.150 nan 0.000 0.484 241 L N 3.878 125.168 121.223 0.112 0.000 2.316 241 L HA 0.538 4.879 4.340 0.001 0.000 0.280 241 L C -0.862 176.057 176.870 0.081 0.000 1.006 241 L CA -0.053 54.858 54.840 0.119 0.000 0.836 241 L CB 1.028 43.136 42.059 0.081 0.000 1.221 241 L HN 0.590 nan 8.230 nan 0.000 0.418 242 I N 2.517 123.137 120.570 0.084 0.000 2.545 242 I HA 0.273 4.444 4.170 0.001 0.000 0.292 242 I C 0.019 176.169 176.117 0.055 0.000 1.040 242 I CA -0.487 60.848 61.300 0.059 0.000 1.068 242 I CB 2.259 40.290 38.000 0.052 0.000 1.251 242 I HN 0.600 nan 8.210 nan 0.000 0.424 243 N N 2.839 121.563 118.700 0.040 0.000 2.348 243 N HA -0.010 4.731 4.740 0.001 0.000 0.183 243 N C 0.396 175.924 175.510 0.028 0.000 1.094 243 N CA -0.287 52.784 53.050 0.035 0.000 0.885 243 N CB 0.113 38.615 38.487 0.026 0.000 1.065 243 N HN 0.615 nan 8.380 nan 0.000 0.472 244 E N 1.119 121.334 120.200 0.024 0.000 2.414 244 E HA 0.258 4.608 4.350 0.001 0.000 0.263 244 E C -0.436 176.179 176.600 0.024 0.000 1.000 244 E CA -0.532 55.879 56.400 0.019 0.000 0.914 244 E CB 0.608 30.316 29.700 0.013 0.000 0.948 244 E HN 0.343 nan 8.360 nan 0.000 0.444 245 A N 4.391 127.225 122.820 0.023 0.000 2.462 245 A HA 0.144 4.464 4.320 0.001 0.000 0.243 245 A C -0.229 177.372 177.584 0.028 0.000 1.076 245 A CA -0.401 51.651 52.037 0.026 0.000 0.773 245 A CB 0.253 19.267 19.000 0.024 0.000 1.010 245 A HN 0.592 nan 8.150 nan 0.000 0.493 246 L N 3.239 124.482 121.223 0.033 0.000 2.384 246 L HA 0.266 4.607 4.340 0.001 0.000 0.258 246 L C 0.389 177.285 176.870 0.043 0.000 1.266 246 L CA 0.985 55.849 54.840 0.040 0.000 1.162 246 L CB -1.229 40.858 42.059 0.045 0.000 1.375 246 L HN 0.846 nan 8.230 nan 0.000 0.420 247 E N -0.156 120.067 120.200 0.038 0.000 2.446 247 E HA 0.437 4.787 4.350 0.001 0.000 0.269 247 E C -1.128 175.494 176.600 0.038 0.000 0.977 247 E CA -1.190 55.233 56.400 0.038 0.000 0.854 247 E CB 1.550 31.268 29.700 0.030 0.000 1.545 247 E HN -0.173 nan 8.360 nan 0.000 0.448 248 V N 2.809 122.746 119.914 0.038 0.000 2.415 248 V HA 0.046 4.167 4.120 0.001 0.000 0.267 248 V C 0.091 176.203 176.094 0.031 0.000 1.042 248 V CA -0.142 62.181 62.300 0.039 0.000 1.000 248 V CB -0.202 31.647 31.823 0.042 0.000 1.015 248 V HN 0.413 nan 8.190 nan 0.000 0.478 249 K N 5.116 125.533 120.400 0.028 0.000 2.414 249 K HA 0.325 4.646 4.320 0.001 0.000 0.272 249 K C -0.165 176.448 176.600 0.022 0.000 0.993 249 K CA 0.096 56.396 56.287 0.021 0.000 0.964 249 K CB 0.645 33.155 32.500 0.017 0.000 0.925 249 K HN 0.580 nan 8.250 nan 0.000 0.487 250 K N 0.632 121.042 120.400 0.017 0.000 2.426 250 K HA 0.237 4.558 4.320 0.001 0.000 0.251 250 K C -0.299 176.308 176.600 0.012 0.000 0.941 250 K CA -0.729 55.567 56.287 0.015 0.000 0.808 250 K CB 1.753 34.260 32.500 0.011 0.000 1.265 250 K HN 0.676 nan 8.250 nan 0.000 0.432 251 T N -0.955 113.606 114.554 0.011 0.000 2.856 251 T HA 0.076 4.426 4.350 0.001 0.000 0.306 251 T C 1.003 175.706 174.700 0.006 0.000 1.062 251 T CA -0.474 61.632 62.100 0.009 0.000 1.083 251 T CB 0.784 69.658 68.868 0.010 0.000 0.984 251 T HN 0.432 nan 8.240 nan 0.000 0.542 252 E N 1.080 121.284 120.200 0.005 0.000 2.107 252 E HA 0.002 4.353 4.350 0.001 0.000 0.191 252 E C 0.902 177.504 176.600 0.003 0.000 0.982 252 E CA 0.848 57.250 56.400 0.004 0.000 0.809 252 E CB -0.557 29.145 29.700 0.003 0.000 0.756 252 E HN 0.804 nan 8.360 nan 0.000 0.459 253 T N 2.459 117.015 114.554 0.003 0.000 2.907 253 T HA 0.110 4.461 4.350 0.001 0.000 0.298 253 T C 0.095 174.795 174.700 0.001 0.000 1.017 253 T CA -0.592 61.509 62.100 0.002 0.000 1.118 253 T CB 0.832 69.702 68.868 0.003 0.000 0.948 253 T HN -0.112 nan 8.240 nan 0.000 0.531 254 D N 1.442 121.841 120.400 -0.001 0.000 2.443 254 D HA 0.471 5.111 4.640 0.001 0.000 0.239 254 D C -0.036 176.260 176.300 -0.006 0.000 1.136 254 D CA 0.182 54.179 54.000 -0.004 0.000 0.879 254 D CB 0.790 41.587 40.800 -0.006 0.000 1.195 254 D HN 0.747 nan 8.370 nan 0.000 0.443 255 A N 1.599 124.413 122.820 -0.010 0.000 2.594 255 A HA 0.624 4.945 4.320 0.001 0.000 0.295 255 A C -0.949 176.617 177.584 -0.029 0.000 1.071 255 A CA -0.782 51.247 52.037 -0.015 0.000 0.685 255 A CB 2.172 21.168 19.000 -0.007 0.000 1.285 255 A HN 0.407 nan 8.150 nan 0.000 0.405 256 K N 1.995 122.370 120.400 -0.043 0.000 2.535 256 K HA 0.524 4.844 4.320 0.001 0.000 0.251 256 K C -1.549 174.987 176.600 -0.107 0.000 0.942 256 K CA -0.550 55.696 56.287 -0.069 0.000 0.798 256 K CB 1.370 33.837 32.500 -0.055 0.000 1.267 256 K HN 0.712 nan 8.250 nan 0.000 0.434 257 I N 3.136 123.597 120.570 -0.182 0.000 2.496 257 I HA 0.044 4.214 4.170 0.001 0.000 0.285 257 I C 0.553 176.534 176.117 -0.226 0.000 1.080 257 I CA -0.038 61.073 61.300 -0.314 0.000 1.404 257 I CB 0.655 38.276 38.000 -0.631 0.000 1.403 257 I HN 0.512 nan 8.210 nan 0.000 0.539 258 N N 7.668 126.267 118.700 -0.168 0.000 2.817 258 N HA 0.206 4.947 4.740 0.001 0.000 0.234 258 N C -0.533 174.937 175.510 -0.068 0.000 1.066 258 N CA -0.737 52.259 53.050 -0.090 0.000 0.926 258 N CB 0.548 39.011 38.487 -0.040 0.000 1.176 258 N HN 0.386 nan 8.380 nan 0.000 0.506 259 I N 2.534 123.055 120.570 -0.082 0.000 2.618 259 I HA -0.004 4.167 4.170 0.001 0.000 0.284 259 I C 1.275 177.397 176.117 0.009 0.000 1.146 259 I CA 0.588 61.873 61.300 -0.024 0.000 1.425 259 I CB 1.033 39.014 38.000 -0.032 0.000 1.383 259 I HN 0.523 nan 8.210 nan 0.000 0.562 260 T N 3.231 117.808 114.554 0.040 0.000 2.969 260 T HA 0.101 4.451 4.350 0.001 0.000 0.258 260 T C 0.405 175.127 174.700 0.036 0.000 0.962 260 T CA 0.064 62.184 62.100 0.033 0.000 0.903 260 T CB 0.440 69.329 68.868 0.035 0.000 1.177 260 T HN 0.741 nan 8.240 nan 0.000 0.511 261 S N 0.769 116.499 115.700 0.050 0.000 2.549 261 S HA 0.522 4.992 4.470 0.001 0.000 0.280 261 S C -2.730 171.901 174.600 0.050 0.000 1.109 261 S CA -1.329 56.897 58.200 0.043 0.000 0.905 261 S CB 2.262 65.487 63.200 0.041 0.000 1.081 261 S HN -0.221 nan 8.310 nan 0.000 0.477 262 P HA -0.136 nan 4.420 nan 0.000 0.216 262 P C 0.956 178.284 177.300 0.046 0.000 1.150 262 P CA 1.487 64.610 63.100 0.038 0.000 0.837 262 P CB -0.144 31.572 31.700 0.026 0.000 0.786 263 D N -0.282 120.143 120.400 0.041 0.000 2.221 263 D HA -0.219 4.422 4.640 0.001 0.000 0.204 263 D C 1.671 178.004 176.300 0.055 0.000 0.982 263 D CA 1.287 55.309 54.000 0.035 0.000 0.857 263 D CB -1.102 39.711 40.800 0.021 0.000 0.934 263 D HN 0.292 nan 8.370 nan 0.000 0.475 264 Q N 0.008 119.866 119.800 0.097 0.000 2.079 264 Q HA 0.018 4.358 4.340 0.001 0.000 0.200 264 Q C 2.597 178.742 176.000 0.242 0.000 0.974 264 Q CA 0.552 56.474 55.803 0.197 0.000 0.840 264 Q CB -0.138 28.774 28.738 0.290 0.000 0.898 264 Q HN 0.344 nan 8.270 nan 0.000 0.430 265 L N 0.042 121.355 121.223 0.149 0.000 2.103 265 L HA -0.264 4.076 4.340 0.001 0.000 0.215 265 L C 2.442 179.384 176.870 0.119 0.000 1.080 265 L CA 1.030 55.940 54.840 0.118 0.000 0.764 265 L CB -0.396 41.702 42.059 0.064 0.000 0.890 265 L HN 0.390 nan 8.230 nan 0.000 0.435 266 M N -1.101 118.554 119.600 0.091 0.000 2.325 266 M HA -0.061 4.420 4.480 0.001 0.000 0.265 266 M C 2.711 179.042 176.300 0.051 0.000 1.094 266 M CA 1.583 56.920 55.300 0.062 0.000 1.161 266 M CB -0.686 31.935 32.600 0.035 0.000 1.358 266 M HN 0.363 nan 8.290 nan 0.000 0.446 267 S N 0.461 116.173 115.700 0.020 0.000 2.383 267 S HA -0.142 4.329 4.470 0.001 0.000 0.229 267 S C 1.837 176.359 174.600 -0.130 0.000 1.030 267 S CA 1.256 59.404 58.200 -0.086 0.000 1.002 267 S CB -1.014 62.079 63.200 -0.178 0.000 0.829 267 S HN 0.346 nan 8.310 nan 0.000 0.467 268 F N 1.394 121.349 119.950 0.009 0.000 2.234 268 F HA 0.274 4.802 4.527 0.001 0.000 0.296 268 F C 2.277 178.085 175.800 0.013 0.000 1.089 268 F CA 0.565 58.571 58.000 0.010 0.000 1.343 268 F CB -0.307 38.698 39.000 0.008 0.000 1.040 268 F HN 0.140 nan 8.300 nan 0.000 0.498 269 L N -0.053 121.281 121.223 0.186 0.000 2.017 269 L HA -0.225 4.115 4.340 0.001 0.000 0.208 269 L C 2.164 179.081 176.870 0.078 0.000 1.073 269 L CA 1.597 56.504 54.840 0.112 0.000 0.745 269 L CB -0.601 41.506 42.059 0.080 0.000 0.894 269 L HN 0.191 nan 8.230 nan 0.000 0.432 270 E N -0.676 119.556 120.200 0.053 0.000 2.268 270 E HA -0.258 4.092 4.350 0.001 0.000 0.195 270 E C 1.992 178.608 176.600 0.027 0.000 0.995 270 E CA 0.634 57.055 56.400 0.034 0.000 0.836 270 E CB 0.004 29.711 29.700 0.012 0.000 0.763 270 E HN 0.362 nan 8.360 nan 0.000 0.491 271 Q N 1.529 121.341 119.800 0.019 0.000 2.096 271 Q HA -0.129 4.212 4.340 0.001 0.000 0.197 271 Q C 1.605 177.634 176.000 0.050 0.000 0.964 271 Q CA 1.444 57.253 55.803 0.010 0.000 0.838 271 Q CB 0.157 28.878 28.738 -0.029 0.000 0.906 271 Q HN 0.272 nan 8.270 nan 0.000 0.444 272 E N 0.115 120.363 120.200 0.079 0.000 2.106 272 E HA -0.194 4.157 4.350 0.001 0.000 0.192 272 E C 1.876 178.523 176.600 0.078 0.000 0.984 272 E CA 0.939 57.387 56.400 0.080 0.000 0.806 272 E CB -0.060 29.691 29.700 0.085 0.000 0.750 272 E HN 0.501 nan 8.360 nan 0.000 0.458 273 E N 1.333 121.581 120.200 0.080 0.000 2.038 273 E HA -0.245 4.105 4.350 0.001 0.000 0.195 273 E C 2.121 178.790 176.600 0.115 0.000 1.000 273 E CA 1.274 57.736 56.400 0.103 0.000 0.803 273 E CB 0.062 29.816 29.700 0.090 0.000 0.750 273 E HN 0.029 nan 8.360 nan 0.000 0.448 274 K N 0.053 120.496 120.400 0.071 0.000 2.057 274 K HA -0.176 4.144 4.320 0.001 0.000 0.207 274 K C 2.170 178.799 176.600 0.047 0.000 1.049 274 K CA 1.534 57.849 56.287 0.045 0.000 0.931 274 K CB -0.049 32.462 32.500 0.019 0.000 0.714 274 K HN 0.132 nan 8.250 nan 0.000 0.440 275 M N 0.618 120.249 119.600 0.052 0.000 2.080 275 M HA -0.202 4.278 4.480 0.001 0.000 0.260 275 M C 2.185 178.524 176.300 0.065 0.000 1.068 275 M CA 1.182 56.510 55.300 0.047 0.000 1.109 275 M CB -0.279 32.349 32.600 0.047 0.000 1.342 275 M HN 0.200 nan 8.290 nan 0.000 0.405 276 L N 0.675 121.955 121.223 0.095 0.000 1.989 276 L HA -0.243 4.098 4.340 0.001 0.000 0.211 276 L C 2.431 179.402 176.870 0.170 0.000 1.071 276 L CA 1.979 56.898 54.840 0.130 0.000 0.749 276 L CB -1.027 41.125 42.059 0.155 0.000 0.890 276 L HN 0.369 nan 8.230 nan 0.000 0.431 277 K N -0.336 120.172 120.400 0.180 0.000 2.026 277 K HA -0.214 4.107 4.320 0.001 0.000 0.208 277 K C 1.676 178.279 176.600 0.005 0.000 1.048 277 K CA 1.804 58.126 56.287 0.058 0.000 0.929 277 K CB -0.024 32.393 32.500 -0.139 0.000 0.713 277 K HN 0.212 nan 8.250 nan 0.000 0.439 278 D N 0.692 121.101 120.400 0.014 0.000 2.133 278 D HA -0.217 4.424 4.640 0.001 0.000 0.195 278 D C 1.947 178.269 176.300 0.036 0.000 0.997 278 D CA 1.572 55.581 54.000 0.015 0.000 0.840 278 D CB -0.144 40.664 40.800 0.015 0.000 0.947 278 D HN 0.342 nan 8.370 nan 0.000 0.452 279 M N -0.077 119.549 119.600 0.044 0.000 2.065 279 M HA -0.168 4.313 4.480 0.001 0.000 0.259 279 M C 2.433 178.764 176.300 0.053 0.000 1.071 279 M CA 1.077 56.407 55.300 0.050 0.000 1.109 279 M CB -0.484 32.144 32.600 0.047 0.000 1.313 279 M HN -0.110 nan 8.290 nan 0.000 0.408 280 V N 0.874 120.816 119.914 0.048 0.000 2.282 280 V HA -0.324 3.797 4.120 0.001 0.000 0.249 280 V C 1.921 177.918 176.094 -0.161 0.000 1.057 280 V CA 2.081 64.379 62.300 -0.002 0.000 1.032 280 V CB -0.883 31.017 31.823 0.129 0.000 0.645 280 V HN 0.446 nan 8.190 nan 0.000 0.447 281 D N -0.976 119.354 120.400 -0.116 0.000 2.104 281 D HA -0.229 4.411 4.640 0.001 0.000 0.194 281 D C 2.034 178.234 176.300 -0.167 0.000 0.994 281 D CA 2.068 55.959 54.000 -0.182 0.000 0.830 281 D CB -0.408 40.365 40.800 -0.045 0.000 0.959 281 D HN 0.667 nan 8.370 nan 0.000 0.452 282 H N 0.586 119.583 119.070 -0.121 0.000 2.352 282 H HA -0.069 4.487 4.556 0.001 0.000 0.299 282 H C 2.218 177.479 175.328 -0.111 0.000 1.097 282 H CA 1.396 57.389 56.048 -0.092 0.000 1.311 282 H CB -0.299 29.430 29.762 -0.055 0.000 1.377 282 H HN 0.090 nan 8.280 nan 0.000 0.504 283 I N 0.066 120.583 120.570 -0.088 0.000 2.113 283 I HA -0.298 3.873 4.170 0.001 0.000 0.238 283 I C 2.773 178.749 176.117 -0.236 0.000 1.070 283 I CA 1.099 62.325 61.300 -0.123 0.000 1.332 283 I CB -0.671 37.285 38.000 -0.074 0.000 1.044 283 I HN 0.458 nan 8.210 nan 0.000 0.402 284 A N 0.308 122.911 122.820 -0.361 0.000 1.927 284 A HA -0.324 3.997 4.320 0.001 0.000 0.220 284 A C 2.205 179.626 177.584 -0.271 0.000 1.185 284 A CA 2.048 53.826 52.037 -0.431 0.000 0.639 284 A CB -0.862 17.537 19.000 -1.001 0.000 0.820 284 A HN 0.560 nan 8.150 nan 0.000 0.451 285 Q N -0.801 118.833 119.800 -0.278 0.000 2.181 285 Q HA -0.150 4.190 4.340 0.001 0.000 0.205 285 Q C 2.168 178.051 176.000 -0.196 0.000 0.980 285 Q CA 1.879 57.554 55.803 -0.214 0.000 0.862 285 Q CB -0.538 28.055 28.738 -0.241 0.000 0.905 285 Q HN 0.936 nan 8.270 nan 0.000 0.429 286 T N -3.567 110.847 114.554 -0.232 0.000 2.962 286 T HA 0.077 4.428 4.350 0.001 0.000 0.270 286 T C 1.486 176.133 174.700 -0.088 0.000 1.088 286 T CA 0.899 62.904 62.100 -0.158 0.000 1.127 286 T CB 0.180 68.963 68.868 -0.141 0.000 0.883 286 T HN 0.485 nan 8.240 nan 0.000 0.493 287 G N 0.994 109.743 108.800 -0.086 0.000 2.201 287 G HA2 0.044 4.004 3.960 0.001 0.000 0.212 287 G HA3 0.044 4.004 3.960 0.001 0.000 0.212 287 G C 0.343 175.225 174.900 -0.030 0.000 0.994 287 G CA -0.134 44.940 45.100 -0.044 0.000 0.644 287 G HN 1.134 nan 8.290 nan 0.000 0.508 288 A N 0.594 123.388 122.820 -0.044 0.000 2.520 288 A HA 0.493 4.814 4.320 0.001 0.000 0.235 288 A C 1.046 178.612 177.584 -0.030 0.000 1.065 288 A CA 1.429 53.450 52.037 -0.027 0.000 0.764 288 A CB 0.094 19.073 19.000 -0.034 0.000 1.002 288 A HN 1.392 nan 8.150 nan 0.000 0.502 289 N N -0.601 118.090 118.700 -0.015 0.000 2.116 289 N HA 0.265 5.005 4.740 0.001 0.000 0.230 289 N C -0.990 174.499 175.510 -0.036 0.000 1.326 289 N CA 0.083 53.123 53.050 -0.016 0.000 0.867 289 N CB 0.566 39.054 38.487 0.001 0.000 1.174 289 N HN 0.290 nan 8.380 nan 0.000 0.506 290 V N 0.798 120.683 119.914 -0.048 0.000 2.752 290 V HA 0.597 4.718 4.120 0.001 0.000 0.302 290 V C -1.135 174.884 176.094 -0.124 0.000 1.133 290 V CA -1.025 61.208 62.300 -0.110 0.000 0.919 290 V CB 2.116 33.903 31.823 -0.060 0.000 1.026 290 V HN 0.156 nan 8.190 nan 0.000 0.429 291 V N 1.962 121.727 119.914 -0.248 0.000 2.686 291 V HA 0.779 4.900 4.120 0.001 0.000 0.306 291 V C -1.529 174.364 176.094 -0.335 0.000 1.065 291 V CA -0.585 61.616 62.300 -0.165 0.000 0.894 291 V CB 1.952 33.732 31.823 -0.071 0.000 1.004 291 V HN 0.556 nan 8.190 nan 0.000 0.424 292 F N 4.043 123.996 119.950 0.005 0.000 2.361 292 F HA 0.714 5.242 4.527 0.001 0.000 0.364 292 F C 0.199 176.003 175.800 0.007 0.000 1.117 292 F CA -0.719 57.284 58.000 0.004 0.000 1.071 292 F CB 2.052 41.050 39.000 -0.004 0.000 1.188 292 F HN 0.425 nan 8.300 nan 0.000 0.464 293 V N 4.255 124.246 119.914 0.127 0.000 2.427 293 V HA 0.155 4.275 4.120 0.001 0.000 0.286 293 V C 0.841 176.990 176.094 0.091 0.000 1.034 293 V CA -0.395 61.958 62.300 0.088 0.000 0.893 293 V CB 1.637 33.489 31.823 0.049 0.000 0.982 293 V HN 0.878 nan 8.190 nan 0.000 0.452 294 Q N 3.231 123.075 119.800 0.072 0.000 2.123 294 Q HA -0.081 4.260 4.340 0.001 0.000 0.199 294 Q C 0.949 176.975 176.000 0.043 0.000 0.966 294 Q CA 1.189 57.026 55.803 0.056 0.000 0.845 294 Q CB 0.295 29.057 28.738 0.040 0.000 0.907 294 Q HN 0.623 nan 8.270 nan 0.000 0.439 295 K N -0.207 120.215 120.400 0.038 0.000 2.918 295 K HA 0.348 4.669 4.320 0.001 0.000 0.318 295 K C 0.115 176.734 176.600 0.032 0.000 0.995 295 K CA 0.281 56.587 56.287 0.030 0.000 1.187 295 K CB -0.401 32.115 32.500 0.026 0.000 1.413 295 K HN 0.216 nan 8.250 nan 0.000 0.556 296 G N -0.314 108.503 108.800 0.028 0.000 2.547 296 G HA2 0.587 4.548 3.960 0.001 0.000 0.291 296 G HA3 0.587 4.548 3.960 0.001 0.000 0.291 296 G C -0.819 174.100 174.900 0.031 0.000 1.211 296 G CA -0.509 44.608 45.100 0.028 0.000 0.950 296 G HN 0.326 nan 8.290 nan 0.000 0.504 297 I N 0.796 121.385 120.570 0.032 0.000 2.497 297 I HA 0.148 4.318 4.170 0.001 0.000 0.284 297 I C -0.578 175.563 176.117 0.041 0.000 1.060 297 I CA -0.698 60.625 61.300 0.038 0.000 1.071 297 I CB 1.856 39.878 38.000 0.038 0.000 1.216 297 I HN 0.394 nan 8.210 nan 0.000 0.442 298 D N 4.709 125.133 120.400 0.041 0.000 2.449 298 D HA -0.071 4.569 4.640 0.001 0.000 0.236 298 D C 0.701 177.025 176.300 0.040 0.000 1.149 298 D CA 0.466 54.488 54.000 0.036 0.000 0.878 298 D CB 1.307 42.130 40.800 0.037 0.000 1.198 298 D HN 0.499 nan 8.370 nan 0.000 0.446 299 D N 2.240 122.658 120.400 0.030 0.000 2.104 299 D HA -0.164 4.477 4.640 0.001 0.000 0.194 299 D C 1.968 178.277 176.300 0.015 0.000 0.994 299 D CA 0.584 54.607 54.000 0.040 0.000 0.830 299 D CB -0.044 40.765 40.800 0.015 0.000 0.959 299 D HN 0.420 nan 8.370 nan 0.000 0.452 300 L N 0.533 121.731 121.223 -0.042 0.000 2.042 300 L HA -0.227 4.114 4.340 0.001 0.000 0.210 300 L C 2.340 179.136 176.870 -0.124 0.000 1.076 300 L CA 1.410 56.159 54.840 -0.152 0.000 0.749 300 L CB -0.256 41.738 42.059 -0.108 0.000 0.893 300 L HN -0.029 nan 8.230 nan 0.000 0.432 301 A N -0.688 122.148 122.820 0.026 0.000 1.858 301 A HA -0.281 4.039 4.320 0.001 0.000 0.216 301 A C 2.049 179.683 177.584 0.082 0.000 1.190 301 A CA 1.700 53.802 52.037 0.108 0.000 0.617 301 A CB -0.577 18.480 19.000 0.095 0.000 0.827 301 A HN 0.560 nan 8.150 nan 0.000 0.443 302 Q N -1.430 118.404 119.800 0.057 0.000 2.135 302 Q HA -0.239 4.101 4.340 0.001 0.000 0.204 302 Q C 2.167 178.099 176.000 -0.114 0.000 0.981 302 Q CA 1.578 57.404 55.803 0.038 0.000 0.856 302 Q CB -0.388 28.451 28.738 0.168 0.000 0.902 302 Q HN 0.875 nan 8.270 nan 0.000 0.425 303 H N -0.403 118.553 119.070 -0.190 0.000 2.321 303 H HA -0.158 4.399 4.556 0.001 0.000 0.300 303 H C 1.546 176.758 175.328 -0.193 0.000 1.087 303 H CA 1.609 57.476 56.048 -0.303 0.000 1.319 303 H CB 0.122 29.695 29.762 -0.315 0.000 1.379 303 H HN 0.277 nan 8.280 nan 0.000 0.501 304 Y N 0.079 120.417 120.300 0.063 0.000 2.220 304 Y HA -0.134 4.417 4.550 0.001 0.000 0.291 304 Y C 2.681 178.656 175.900 0.124 0.000 1.129 304 Y CA 0.393 58.544 58.100 0.085 0.000 1.161 304 Y CB -0.785 37.791 38.460 0.194 0.000 0.997 304 Y HN 0.141 nan 8.280 nan 0.000 0.522 305 L N -0.013 121.347 121.223 0.228 0.000 2.043 305 L HA -0.238 4.103 4.340 0.001 0.000 0.212 305 L C 2.429 179.329 176.870 0.049 0.000 1.075 305 L CA 1.959 56.883 54.840 0.139 0.000 0.752 305 L CB -1.339 40.747 42.059 0.045 0.000 0.891 305 L HN 0.197 nan 8.230 nan 0.000 0.432 306 A N -0.867 121.872 122.820 -0.135 0.000 1.845 306 A HA -0.249 4.072 4.320 0.001 0.000 0.215 306 A C 2.254 179.740 177.584 -0.163 0.000 1.195 306 A CA 1.883 53.776 52.037 -0.240 0.000 0.616 306 A CB -0.536 18.096 19.000 -0.613 0.000 0.832 306 A HN 0.431 nan 8.150 nan 0.000 0.443 307 K N -1.607 118.660 120.400 -0.222 0.000 2.286 307 K HA -0.199 4.122 4.320 0.001 0.000 0.203 307 K C 1.449 177.931 176.600 -0.198 0.000 1.045 307 K CA 1.753 57.907 56.287 -0.221 0.000 0.935 307 K CB -0.348 32.003 32.500 -0.248 0.000 0.737 307 K HN 0.702 nan 8.250 nan 0.000 0.460 308 Y N -0.065 120.199 120.300 -0.059 0.000 2.511 308 Y HA 0.051 4.601 4.550 0.001 0.000 0.279 308 Y C 1.390 177.263 175.900 -0.046 0.000 1.157 308 Y CA 0.460 58.535 58.100 -0.042 0.000 1.300 308 Y CB 0.676 39.118 38.460 -0.031 0.000 1.052 308 Y HN 0.235 nan 8.280 nan 0.000 0.529 309 G N 1.325 110.161 108.800 0.060 0.000 2.198 309 G HA2 -0.292 3.668 3.960 0.001 0.000 0.257 309 G HA3 -0.292 3.668 3.960 0.001 0.000 0.257 309 G C -0.149 174.768 174.900 0.029 0.000 1.042 309 G CA 0.035 45.149 45.100 0.024 0.000 0.791 309 G HN 0.322 nan 8.290 nan 0.000 0.502 310 I N 0.516 121.106 120.570 0.033 0.000 2.336 310 I HA 0.415 4.586 4.170 0.001 0.000 0.292 310 I C 0.844 176.940 176.117 -0.035 0.000 0.991 310 I CA -0.806 60.493 61.300 -0.002 0.000 1.227 310 I CB 1.606 39.603 38.000 -0.004 0.000 1.366 310 I HN 0.312 nan 8.210 nan 0.000 0.466 311 M N 6.634 126.198 119.600 -0.061 0.000 2.217 311 M HA 0.598 5.078 4.480 0.001 0.000 0.354 311 M C -0.651 175.555 176.300 -0.158 0.000 1.225 311 M CA 0.219 55.464 55.300 -0.092 0.000 1.137 311 M CB 0.815 33.355 32.600 -0.101 0.000 1.576 311 M HN 0.734 nan 8.290 nan 0.000 0.461 312 A N 4.401 127.133 122.820 -0.146 0.000 2.515 312 A HA 0.794 5.114 4.320 0.001 0.000 0.298 312 A C -1.654 175.829 177.584 -0.168 0.000 1.059 312 A CA -0.699 51.229 52.037 -0.181 0.000 0.698 312 A CB 1.900 20.849 19.000 -0.084 0.000 1.289 312 A HN 0.660 nan 8.150 nan 0.000 0.404 313 V N 2.296 122.091 119.914 -0.199 0.000 2.577 313 V HA 0.568 4.689 4.120 0.001 0.000 0.303 313 V C 0.077 176.173 176.094 0.003 0.000 1.042 313 V CA -0.718 61.534 62.300 -0.080 0.000 0.872 313 V CB 1.602 33.394 31.823 -0.051 0.000 0.998 313 V HN 1.127 nan 8.190 nan 0.000 0.423 314 R N 2.902 123.418 120.500 0.026 0.000 2.596 314 R HA 0.784 5.125 4.340 0.001 0.000 0.267 314 R C -0.052 176.279 176.300 0.051 0.000 1.026 314 R CA -0.896 55.227 56.100 0.038 0.000 1.087 314 R CB 0.609 30.927 30.300 0.031 0.000 1.132 314 R HN 0.439 nan 8.270 nan 0.000 0.531 315 R N -0.368 120.160 120.500 0.047 0.000 3.251 315 R HA -0.127 4.214 4.340 0.001 0.000 0.249 315 R C -0.956 175.374 176.300 0.050 0.000 0.949 315 R CA 0.725 56.850 56.100 0.042 0.000 0.645 315 R CB -1.700 28.619 30.300 0.031 0.000 1.065 315 R HN 0.429 nan 8.270 nan 0.000 0.452 316 V N 1.568 121.523 119.914 0.069 0.000 2.461 316 V HA 0.085 4.206 4.120 0.001 0.000 0.275 316 V C 1.132 177.246 176.094 0.033 0.000 1.047 316 V CA -0.419 61.923 62.300 0.070 0.000 0.955 316 V CB 1.380 33.280 31.823 0.128 0.000 0.988 316 V HN 0.252 nan 8.190 nan 0.000 0.471 317 K N 3.214 123.621 120.400 0.013 0.000 2.561 317 K HA -0.103 4.217 4.320 0.001 0.000 0.280 317 K C 1.175 177.770 176.600 -0.008 0.000 0.975 317 K CA -0.009 56.278 56.287 -0.000 0.000 1.024 317 K CB 0.457 32.951 32.500 -0.010 0.000 0.883 317 K HN 0.510 nan 8.250 nan 0.000 0.496 318 K N 2.240 122.637 120.400 -0.005 0.000 2.103 318 K HA -0.178 4.142 4.320 0.001 0.000 0.207 318 K C 1.916 178.503 176.600 -0.021 0.000 1.048 318 K CA 2.214 58.496 56.287 -0.008 0.000 0.930 318 K CB -0.319 32.179 32.500 -0.003 0.000 0.716 318 K HN 0.637 nan 8.250 nan 0.000 0.444 319 S N -0.236 115.449 115.700 -0.024 0.000 2.402 319 S HA -0.111 4.359 4.470 0.001 0.000 0.229 319 S C 1.518 176.085 174.600 -0.055 0.000 1.021 319 S CA 1.300 59.480 58.200 -0.033 0.000 0.974 319 S CB -0.340 62.844 63.200 -0.027 0.000 0.800 319 S HN 0.287 nan 8.310 nan 0.000 0.484 320 D N 0.871 121.233 120.400 -0.063 0.000 2.234 320 D HA 0.113 4.753 4.640 0.001 0.000 0.205 320 D C 1.919 178.141 176.300 -0.130 0.000 0.962 320 D CA 0.688 54.626 54.000 -0.103 0.000 0.855 320 D CB -0.188 40.551 40.800 -0.102 0.000 0.951 320 D HN 0.313 nan 8.370 nan 0.000 0.500 321 M N 0.390 119.938 119.600 -0.086 0.000 2.132 321 M HA -0.073 4.407 4.480 0.001 0.000 0.263 321 M C 1.876 178.130 176.300 -0.077 0.000 1.065 321 M CA 1.176 56.429 55.300 -0.079 0.000 1.122 321 M CB -0.706 31.880 32.600 -0.025 0.000 1.365 321 M HN 0.084 nan 8.290 nan 0.000 0.411 322 E N 0.491 120.655 120.200 -0.060 0.000 2.150 322 E HA -0.206 4.145 4.350 0.001 0.000 0.193 322 E C 1.856 178.417 176.600 -0.066 0.000 0.985 322 E CA 1.257 57.627 56.400 -0.051 0.000 0.814 322 E CB -0.065 29.613 29.700 -0.037 0.000 0.752 322 E HN 0.590 nan 8.360 nan 0.000 0.466 323 K N 0.464 120.811 120.400 -0.089 0.000 2.365 323 K HA 0.012 4.333 4.320 0.001 0.000 0.197 323 K C 1.860 178.384 176.600 -0.126 0.000 1.042 323 K CA 0.456 56.683 56.287 -0.100 0.000 0.987 323 K CB 0.065 32.499 32.500 -0.110 0.000 0.779 323 K HN 0.050 nan 8.250 nan 0.000 0.484 324 L N 0.840 121.964 121.223 -0.165 0.000 2.179 324 L HA 0.005 4.346 4.340 0.001 0.000 0.208 324 L C 2.649 179.444 176.870 -0.125 0.000 1.096 324 L CA 0.892 55.603 54.840 -0.216 0.000 0.779 324 L CB -0.344 41.494 42.059 -0.370 0.000 0.922 324 L HN 0.397 nan 8.230 nan 0.000 0.443 325 A N -0.007 122.762 122.820 -0.084 0.000 1.854 325 A HA -0.205 4.115 4.320 0.001 0.000 0.214 325 A C 2.243 179.808 177.584 -0.031 0.000 1.192 325 A CA 1.492 53.505 52.037 -0.040 0.000 0.611 325 A CB -0.351 18.633 19.000 -0.027 0.000 0.832 325 A HN 0.127 nan 8.150 nan 0.000 0.442 326 K N 0.062 120.439 120.400 -0.039 0.000 2.059 326 K HA -0.130 4.190 4.320 0.001 0.000 0.212 326 K C 2.091 178.675 176.600 -0.027 0.000 1.050 326 K CA 1.741 58.010 56.287 -0.030 0.000 0.927 326 K CB -0.496 31.980 32.500 -0.040 0.000 0.714 326 K HN 0.446 nan 8.250 nan 0.000 0.447 327 A N -0.391 122.402 122.820 -0.045 0.000 1.840 327 A HA -0.142 4.179 4.320 0.001 0.000 0.214 327 A C 2.247 179.824 177.584 -0.012 0.000 1.198 327 A CA 2.315 54.329 52.037 -0.039 0.000 0.608 327 A CB -1.222 17.736 19.000 -0.070 0.000 0.839 327 A HN 0.513 nan 8.150 nan 0.000 0.443 328 T N -4.445 110.098 114.554 -0.018 0.000 3.055 328 T HA 0.367 4.717 4.350 0.001 0.000 0.265 328 T C 1.532 176.265 174.700 0.055 0.000 1.111 328 T CA 1.286 63.396 62.100 0.017 0.000 1.118 328 T CB 0.108 68.975 68.868 -0.001 0.000 0.909 328 T HN 1.783 nan 8.240 nan 0.000 0.501 329 G N 1.330 110.149 108.800 0.032 0.000 2.234 329 G HA2 -0.065 3.895 3.960 0.001 0.000 0.235 329 G HA3 -0.065 3.895 3.960 0.001 0.000 0.235 329 G C 0.461 175.383 174.900 0.036 0.000 0.997 329 G CA -0.053 45.071 45.100 0.040 0.000 0.623 329 G HN 1.207 nan 8.290 nan 0.000 0.514 330 A N 0.138 122.980 122.820 0.037 0.000 2.536 330 A HA 0.518 4.838 4.320 0.001 0.000 0.234 330 A C 0.503 178.103 177.584 0.026 0.000 1.076 330 A CA 1.103 53.164 52.037 0.039 0.000 0.769 330 A CB 0.194 19.222 19.000 0.046 0.000 1.020 330 A HN 0.511 nan 8.150 nan 0.000 0.508 331 K N 1.277 121.695 120.400 0.030 0.000 2.358 331 K HA 0.434 4.755 4.320 0.001 0.000 0.260 331 K C -0.966 175.650 176.600 0.027 0.000 0.956 331 K CA -0.184 56.117 56.287 0.023 0.000 0.834 331 K CB 1.621 34.135 32.500 0.023 0.000 1.102 331 K HN 0.619 nan 8.250 nan 0.000 0.431 332 I N 3.606 124.188 120.570 0.020 0.000 2.664 332 I HA -0.021 4.150 4.170 0.001 0.000 0.284 332 I C 0.045 176.176 176.117 0.024 0.000 1.154 332 I CA -0.151 61.163 61.300 0.023 0.000 1.402 332 I CB 0.195 38.204 38.000 0.014 0.000 1.395 332 I HN 0.182 nan 8.210 nan 0.000 0.545 333 V N 6.537 126.469 119.914 0.031 0.000 2.532 333 V HA 0.159 4.279 4.120 0.001 0.000 0.295 333 V C 0.944 177.052 176.094 0.022 0.000 1.041 333 V CA -0.196 62.120 62.300 0.027 0.000 0.926 333 V CB 1.713 33.557 31.823 0.035 0.000 0.992 333 V HN 0.843 nan 8.190 nan 0.000 0.457 334 T N 2.652 117.215 114.554 0.014 0.000 2.781 334 T HA 0.020 4.371 4.350 0.001 0.000 0.252 334 T C 0.747 175.450 174.700 0.006 0.000 1.039 334 T CA 0.910 63.017 62.100 0.010 0.000 1.147 334 T CB -0.085 68.786 68.868 0.006 0.000 0.865 334 T HN 0.624 nan 8.240 nan 0.000 0.423 335 N N 1.124 119.821 118.700 -0.005 0.000 2.438 335 N HA 0.278 5.018 4.740 0.001 0.000 0.282 335 N C 0.933 176.424 175.510 -0.031 0.000 1.037 335 N CA -0.458 52.580 53.050 -0.020 0.000 0.942 335 N CB 2.170 40.636 38.487 -0.034 0.000 1.136 335 N HN -0.120 nan 8.380 nan 0.000 0.481 336 V N 3.519 123.415 119.914 -0.029 0.000 2.277 336 V HA -0.352 3.769 4.120 0.001 0.000 0.253 336 V C 2.468 178.473 176.094 -0.148 0.000 1.067 336 V CA 1.849 64.135 62.300 -0.024 0.000 1.047 336 V CB -0.499 31.318 31.823 -0.010 0.000 0.649 336 V HN 0.791 nan 8.190 nan 0.000 0.447 337 K N -0.043 120.194 120.400 -0.271 0.000 2.160 337 K HA -0.258 4.062 4.320 0.001 0.000 0.206 337 K C 1.408 177.794 176.600 -0.357 0.000 1.047 337 K CA 2.086 58.071 56.287 -0.503 0.000 0.930 337 K CB -0.273 32.067 32.500 -0.267 0.000 0.720 337 K HN 0.529 nan 8.250 nan 0.000 0.450 338 D N 0.968 121.290 120.400 -0.130 0.000 2.340 338 D HA -0.034 4.606 4.640 0.001 0.000 0.220 338 D C 0.445 176.778 176.300 0.056 0.000 1.039 338 D CA 0.052 54.036 54.000 -0.026 0.000 0.866 338 D CB 0.128 40.919 40.800 -0.015 0.000 0.913 338 D HN 0.214 nan 8.370 nan 0.000 0.523 339 L N 1.529 122.825 121.223 0.121 0.000 2.416 339 L HA 0.151 4.492 4.340 0.001 0.000 0.272 339 L C -0.117 176.878 176.870 0.207 0.000 1.161 339 L CA 1.011 55.953 54.840 0.169 0.000 0.845 339 L CB 1.007 43.175 42.059 0.181 0.000 1.119 339 L HN -0.141 nan 8.230 nan 0.000 0.464 340 T N 5.615 120.224 114.554 0.092 0.000 2.883 340 T HA 0.379 4.730 4.350 0.001 0.000 0.296 340 T C -2.039 172.669 174.700 0.014 0.000 1.117 340 T CA -0.828 61.301 62.100 0.047 0.000 1.006 340 T CB 2.213 71.108 68.868 0.045 0.000 1.191 340 T HN 0.352 nan 8.240 nan 0.000 0.508 341 P HA -0.030 nan 4.420 nan 0.000 0.217 341 P C 0.891 178.199 177.300 0.013 0.000 1.150 341 P CA 0.950 64.048 63.100 -0.004 0.000 0.832 341 P CB 0.186 31.878 31.700 -0.012 0.000 0.787 342 E N -0.807 119.401 120.200 0.014 0.000 2.463 342 E HA -0.135 4.216 4.350 0.001 0.000 0.201 342 E C 1.015 177.630 176.600 0.025 0.000 1.045 342 E CA 0.863 57.273 56.400 0.018 0.000 0.872 342 E CB -0.801 28.908 29.700 0.015 0.000 0.797 342 E HN 0.317 nan 8.360 nan 0.000 0.538 343 D N -0.623 119.794 120.400 0.029 0.000 2.350 343 D HA 0.058 4.698 4.640 0.001 0.000 0.213 343 D C 0.157 176.482 176.300 0.041 0.000 1.031 343 D CA 0.097 54.118 54.000 0.034 0.000 0.861 343 D CB 0.288 41.111 40.800 0.039 0.000 0.926 343 D HN 0.183 nan 8.370 nan 0.000 0.520 344 L N 0.651 121.899 121.223 0.042 0.000 2.371 344 L HA 0.437 4.778 4.340 0.001 0.000 0.272 344 L C 1.229 178.141 176.870 0.071 0.000 1.124 344 L CA -0.520 54.352 54.840 0.055 0.000 0.816 344 L CB 1.194 43.283 42.059 0.049 0.000 1.129 344 L HN -0.116 nan 8.230 nan 0.000 0.448 345 G N 0.776 109.626 108.800 0.083 0.000 2.521 345 G HA2 0.430 4.391 3.960 0.001 0.000 0.323 345 G HA3 0.430 4.391 3.960 0.001 0.000 0.323 345 G C -1.971 173.019 174.900 0.150 0.000 1.211 345 G CA -0.263 44.897 45.100 0.100 0.000 0.979 345 G HN 0.469 nan 8.290 nan 0.000 0.490 346 Y N -0.357 119.959 120.300 0.027 0.000 2.485 346 Y HA 0.662 5.212 4.550 0.001 0.000 0.345 346 Y C -0.336 175.583 175.900 0.032 0.000 0.998 346 Y CA -0.941 57.176 58.100 0.029 0.000 1.059 346 Y CB 2.182 40.654 38.460 0.020 0.000 1.234 346 Y HN 0.812 nan 8.280 nan 0.000 0.461 347 A N 4.830 127.049 122.820 -1.003 0.000 2.465 347 A HA 0.310 4.630 4.320 0.001 0.000 0.292 347 A C 0.249 177.281 177.584 -0.919 0.000 1.041 347 A CA -0.368 51.250 52.037 -0.697 0.000 0.718 347 A CB 1.205 20.049 19.000 -0.259 0.000 1.266 347 A HN 0.971 nan 8.150 nan 0.000 0.403 348 E N 1.161 121.012 120.200 -0.582 0.000 2.209 348 E HA -0.001 4.350 4.350 0.001 0.000 0.196 348 E C -0.155 176.365 176.600 -0.132 0.000 0.993 348 E CA 1.634 57.895 56.400 -0.231 0.000 0.819 348 E CB 0.112 29.822 29.700 0.016 0.000 0.745 348 E HN 0.510 nan 8.360 nan 0.000 0.477 349 V N 0.183 120.027 119.914 -0.116 0.000 2.924 349 V HA 0.260 4.381 4.120 0.001 0.000 0.300 349 V C -1.251 174.838 176.094 -0.007 0.000 1.227 349 V CA -0.889 61.385 62.300 -0.044 0.000 0.954 349 V CB 2.331 34.147 31.823 -0.011 0.000 1.055 349 V HN -0.134 nan 8.190 nan 0.000 0.429 350 V N 4.359 124.285 119.914 0.020 0.000 2.569 350 V HA 0.756 4.876 4.120 0.001 0.000 0.301 350 V C -0.666 175.477 176.094 0.081 0.000 1.044 350 V CA -0.397 61.952 62.300 0.081 0.000 0.874 350 V CB 1.871 33.750 31.823 0.093 0.000 1.002 350 V HN 1.075 nan 8.190 nan 0.000 0.424 351 E N 2.491 122.768 120.200 0.129 0.000 2.375 351 E HA 0.533 4.883 4.350 0.001 0.000 0.280 351 E C -1.062 175.634 176.600 0.159 0.000 0.972 351 E CA -0.902 55.558 56.400 0.100 0.000 0.782 351 E CB 2.129 31.856 29.700 0.044 0.000 1.229 351 E HN 0.549 nan 8.360 nan 0.000 0.439 352 E N 1.456 121.724 120.200 0.112 0.000 2.392 352 E HA 0.365 4.715 4.350 0.001 0.000 0.259 352 E C -0.788 175.885 176.600 0.122 0.000 1.108 352 E CA -0.214 56.264 56.400 0.130 0.000 0.916 352 E CB 0.885 30.631 29.700 0.076 0.000 0.989 352 E HN 0.426 nan 8.360 nan 0.000 0.432 353 R N 1.201 121.795 120.500 0.155 0.000 2.664 353 R HA 0.206 4.546 4.340 0.001 0.000 0.260 353 R C -1.396 174.977 176.300 0.121 0.000 1.062 353 R CA -0.635 55.523 56.100 0.096 0.000 0.902 353 R CB 1.332 31.632 30.300 0.001 0.000 1.258 353 R HN 0.330 nan 8.270 nan 0.000 0.465 354 K N 2.199 122.637 120.400 0.063 0.000 2.201 354 K HA 0.450 4.770 4.320 0.001 0.000 0.278 354 K C -1.034 175.605 176.600 0.065 0.000 1.027 354 K CA -0.631 55.693 56.287 0.062 0.000 0.909 354 K CB 1.016 33.536 32.500 0.033 0.000 1.062 354 K HN 0.146 nan 8.250 nan 0.000 0.465 355 L N 2.179 123.450 121.223 0.080 0.000 2.372 355 L HA 0.294 4.634 4.340 0.001 0.000 0.274 355 L C 0.089 176.987 176.870 0.048 0.000 0.988 355 L CA 0.253 55.138 54.840 0.075 0.000 0.833 355 L CB 1.531 43.661 42.059 0.119 0.000 1.236 355 L HN 0.874 nan 8.230 nan 0.000 0.410 356 A N 3.051 125.891 122.820 0.033 0.000 2.799 356 A HA 0.043 4.364 4.320 0.001 0.000 0.287 356 A C 1.536 179.132 177.584 0.020 0.000 1.484 356 A CA 1.707 53.757 52.037 0.022 0.000 0.813 356 A CB -1.875 17.138 19.000 0.021 0.000 1.009 356 A HN 1.874 nan 8.150 nan 0.000 0.545 357 G N -1.346 107.467 108.800 0.022 0.000 2.956 357 G HA2 -0.150 3.810 3.960 0.001 0.000 0.210 357 G HA3 -0.150 3.810 3.960 0.001 0.000 0.210 357 G C -0.047 174.868 174.900 0.024 0.000 1.316 357 G CA 0.702 45.813 45.100 0.019 0.000 0.819 357 G HN 2.028 nan 8.290 nan 0.000 0.544 358 E N 2.731 122.948 120.200 0.027 0.000 2.376 358 E HA 0.252 4.603 4.350 0.001 0.000 0.266 358 E C -0.011 176.616 176.600 0.046 0.000 1.009 358 E CA -0.417 56.001 56.400 0.030 0.000 0.902 358 E CB 0.623 30.338 29.700 0.025 0.000 0.972 358 E HN 0.424 nan 8.360 nan 0.000 0.439 359 N N 2.091 120.818 118.700 0.045 0.000 2.326 359 N HA 0.267 5.008 4.740 0.001 0.000 0.239 359 N C -0.084 175.473 175.510 0.078 0.000 1.301 359 N CA 0.247 53.335 53.050 0.063 0.000 0.909 359 N CB 0.655 39.172 38.487 0.049 0.000 1.156 359 N HN 0.565 nan 8.380 nan 0.000 0.462 360 M N 0.208 119.877 119.600 0.115 0.000 2.790 360 M HA 0.396 4.876 4.480 0.001 0.000 0.272 360 M C -1.791 174.602 176.300 0.155 0.000 1.168 360 M CA -0.417 54.944 55.300 0.102 0.000 0.829 360 M CB 2.039 34.703 32.600 0.107 0.000 1.675 360 M HN 0.300 nan 8.290 nan 0.000 0.505 361 I N 2.041 122.647 120.570 0.059 0.000 2.406 361 I HA 0.424 4.595 4.170 0.001 0.000 0.290 361 I C -1.548 174.567 176.117 -0.003 0.000 0.999 361 I CA -0.436 60.943 61.300 0.131 0.000 1.124 361 I CB 1.478 39.579 38.000 0.168 0.000 1.289 361 I HN 0.431 nan 8.210 nan 0.000 0.441 362 F N 5.778 125.759 119.950 0.051 0.000 2.411 362 F HA 0.389 4.917 4.527 0.001 0.000 0.352 362 F C 0.125 175.943 175.800 0.030 0.000 1.123 362 F CA -0.737 57.278 58.000 0.025 0.000 1.044 362 F CB 1.689 40.694 39.000 0.009 0.000 1.135 362 F HN -0.009 nan 8.300 nan 0.000 0.461 363 V N 4.498 124.470 119.914 0.098 0.000 2.239 363 V HA 0.247 4.368 4.120 0.001 0.000 0.267 363 V C -0.163 175.950 176.094 0.032 0.000 1.056 363 V CA -0.572 61.759 62.300 0.052 0.000 0.830 363 V CB 0.120 31.920 31.823 -0.039 0.000 1.090 363 V HN 0.763 nan 8.190 nan 0.000 0.459 364 E N 2.237 122.475 120.200 0.064 0.000 2.264 364 E HA 0.698 5.048 4.350 0.001 0.000 0.260 364 E C 0.528 177.128 176.600 0.001 0.000 0.961 364 E CA -0.521 55.909 56.400 0.050 0.000 0.834 364 E CB 2.080 31.842 29.700 0.105 0.000 1.230 364 E HN 0.643 nan 8.360 nan 0.000 0.412 365 G N 0.529 109.337 108.800 0.013 0.000 2.289 365 G HA2 -0.243 3.718 3.960 0.001 0.000 0.280 365 G HA3 -0.243 3.718 3.960 0.001 0.000 0.280 365 G C -0.024 174.893 174.900 0.028 0.000 1.089 365 G CA 0.010 45.122 45.100 0.021 0.000 0.939 365 G HN 0.561 nan 8.290 nan 0.000 0.499 366 C N 0.202 119.522 119.300 0.033 0.000 2.443 366 C HA 0.578 5.038 4.460 0.001 0.000 0.369 366 C C 2.012 177.082 174.990 0.133 0.000 1.241 366 C CA -0.507 58.558 59.018 0.079 0.000 2.413 366 C CB 1.715 29.476 27.740 0.035 0.000 2.451 366 C HN 0.610 nan 8.230 nan 0.000 0.595 367 K N 1.508 122.021 120.400 0.188 0.000 1.969 367 K HA -0.074 4.247 4.320 0.001 0.000 0.220 367 K C 0.717 177.356 176.600 0.066 0.000 1.040 367 K CA 1.587 57.945 56.287 0.119 0.000 0.981 367 K CB -0.329 32.223 32.500 0.087 0.000 0.746 367 K HN 0.754 nan 8.250 nan 0.000 0.444 368 N N 1.400 120.131 118.700 0.051 0.000 2.918 368 N HA 0.191 4.931 4.740 0.001 0.000 0.270 368 N C -2.621 172.904 175.510 0.025 0.000 1.536 368 N CA -1.390 51.679 53.050 0.032 0.000 0.877 368 N CB 0.989 39.492 38.487 0.026 0.000 1.190 368 N HN 0.081 nan 8.380 nan 0.000 0.492 369 P HA -0.006 nan 4.420 nan 0.000 0.266 369 P C 0.081 177.378 177.300 -0.006 0.000 1.193 369 P CA 0.036 63.138 63.100 0.003 0.000 0.770 369 P CB 1.146 32.841 31.700 -0.009 0.000 0.836 370 K N 0.068 120.460 120.400 -0.014 0.000 2.358 370 K HA 0.389 4.710 4.320 0.001 0.000 0.200 370 K C 0.478 177.058 176.600 -0.034 0.000 1.030 370 K CA -0.010 56.267 56.287 -0.016 0.000 1.097 370 K CB 0.867 33.362 32.500 -0.008 0.000 0.862 370 K HN 0.587 nan 8.250 nan 0.000 0.534 371 A N 1.028 123.819 122.820 -0.048 0.000 2.455 371 A HA 0.620 4.941 4.320 0.001 0.000 0.300 371 A C -0.560 176.973 177.584 -0.085 0.000 1.040 371 A CA -0.690 51.304 52.037 -0.072 0.000 0.697 371 A CB 1.486 20.439 19.000 -0.079 0.000 1.265 371 A HN -0.063 nan 8.150 nan 0.000 0.407 372 V N -1.055 118.793 119.914 -0.110 0.000 3.141 372 V HA 0.962 5.083 4.120 0.001 0.000 0.312 372 V C -0.511 175.483 176.094 -0.165 0.000 1.157 372 V CA -0.604 61.627 62.300 -0.115 0.000 1.041 372 V CB 1.676 33.443 31.823 -0.095 0.000 1.071 372 V HN 0.855 nan 8.190 nan 0.000 0.441 373 T N 2.660 117.125 114.554 -0.148 0.000 2.812 373 T HA 0.632 4.982 4.350 0.001 0.000 0.282 373 T C -0.449 174.167 174.700 -0.140 0.000 0.990 373 T CA -0.050 61.944 62.100 -0.178 0.000 0.960 373 T CB 1.087 69.864 68.868 -0.152 0.000 0.948 373 T HN 0.661 nan 8.240 nan 0.000 0.438 374 I N 3.841 124.298 120.570 -0.188 0.000 2.307 374 I HA 0.280 4.451 4.170 0.001 0.000 0.287 374 I C -0.054 176.091 176.117 0.047 0.000 1.054 374 I CA -0.591 60.681 61.300 -0.047 0.000 1.218 374 I CB 0.779 38.783 38.000 0.006 0.000 1.398 374 I HN 0.329 nan 8.210 nan 0.000 0.475 375 L N 8.072 129.324 121.223 0.047 0.000 2.315 375 L HA 0.426 4.766 4.340 0.001 0.000 0.283 375 L C -0.323 176.596 176.870 0.082 0.000 1.089 375 L CA -0.105 54.774 54.840 0.066 0.000 0.833 375 L CB 0.570 42.686 42.059 0.095 0.000 1.170 375 L HN 0.520 nan 8.230 nan 0.000 0.442 376 I N 5.795 126.417 120.570 0.086 0.000 2.359 376 I HA 0.399 4.570 4.170 0.001 0.000 0.294 376 I C -0.019 176.123 176.117 0.040 0.000 0.987 376 I CA -0.711 60.628 61.300 0.065 0.000 1.225 376 I CB 1.268 39.309 38.000 0.068 0.000 1.366 376 I HN 0.514 nan 8.210 nan 0.000 0.466 377 R N 3.894 124.406 120.500 0.020 0.000 2.854 377 R HA 0.873 5.214 4.340 0.001 0.000 0.271 377 R C -0.364 175.933 176.300 -0.006 0.000 0.996 377 R CA -0.996 55.110 56.100 0.010 0.000 0.961 377 R CB 2.124 32.428 30.300 0.006 0.000 1.182 377 R HN 0.872 nan 8.270 nan 0.000 0.479 378 G N -1.319 107.481 108.800 -0.000 0.000 2.547 378 G HA2 0.347 4.307 3.960 0.001 0.000 0.291 378 G HA3 0.347 4.307 3.960 0.001 0.000 0.291 378 G C 0.269 175.177 174.900 0.013 0.000 1.471 378 G CA -0.232 44.870 45.100 0.003 0.000 0.798 378 G HN 0.482 nan 8.290 nan 0.000 0.504 379 G N -0.989 107.825 108.800 0.023 0.000 2.471 379 G HA2 0.351 4.312 3.960 0.001 0.000 0.219 379 G HA3 0.351 4.312 3.960 0.001 0.000 0.219 379 G C 0.883 175.799 174.900 0.028 0.000 1.125 379 G CA 2.184 47.300 45.100 0.026 0.000 0.775 379 G HN 1.673 nan 8.290 nan 0.000 0.548 380 T N -4.634 109.939 114.554 0.032 0.000 2.792 380 T HA 0.433 4.783 4.350 0.001 0.000 0.303 380 T C 0.518 175.223 174.700 0.008 0.000 1.310 380 T CA -0.547 61.572 62.100 0.031 0.000 1.007 380 T CB 1.920 70.828 68.868 0.067 0.000 1.335 380 T HN -0.116 nan 8.240 nan 0.000 0.504 381 E N 0.561 120.737 120.200 -0.040 0.000 2.038 381 E HA -0.189 4.162 4.350 0.001 0.000 0.195 381 E C 1.882 178.409 176.600 -0.122 0.000 1.000 381 E CA 1.765 58.096 56.400 -0.115 0.000 0.803 381 E CB -0.512 29.056 29.700 -0.220 0.000 0.750 381 E HN 0.675 nan 8.360 nan 0.000 0.448 382 H N 0.273 119.344 119.070 0.001 0.000 2.422 382 H HA -0.059 4.498 4.556 0.001 0.000 0.298 382 H C 2.357 177.684 175.328 -0.001 0.000 1.098 382 H CA 1.024 57.071 56.048 -0.001 0.000 1.315 382 H CB -0.183 29.579 29.762 0.000 0.000 1.382 382 H HN -0.013 nan 8.280 nan 0.000 0.523 383 V N 2.181 122.162 119.914 0.113 0.000 2.270 383 V HA -0.219 3.901 4.120 0.001 0.000 0.245 383 V C 2.756 178.873 176.094 0.038 0.000 1.043 383 V CA 1.735 64.077 62.300 0.070 0.000 1.014 383 V CB -0.563 31.297 31.823 0.061 0.000 0.645 383 V HN 0.435 nan 8.190 nan 0.000 0.447 384 I N -1.649 118.933 120.570 0.019 0.000 2.493 384 I HA -0.163 4.008 4.170 0.001 0.000 0.254 384 I C 1.939 178.048 176.117 -0.014 0.000 1.160 384 I CA 1.816 63.117 61.300 0.002 0.000 1.445 384 I CB -0.639 37.360 38.000 -0.001 0.000 1.086 384 I HN 0.203 nan 8.210 nan 0.000 0.433 385 D N 1.499 121.893 120.400 -0.010 0.000 2.117 385 D HA -0.149 4.491 4.640 0.001 0.000 0.198 385 D C 2.233 178.520 176.300 -0.022 0.000 0.982 385 D CA 1.084 55.072 54.000 -0.019 0.000 0.828 385 D CB -0.092 40.705 40.800 -0.005 0.000 0.967 385 D HN 0.349 nan 8.370 nan 0.000 0.464 386 E N 0.150 120.352 120.200 0.004 0.000 2.152 386 E HA -0.054 4.296 4.350 0.001 0.000 0.192 386 E C 2.266 178.848 176.600 -0.029 0.000 0.983 386 E CA 0.136 56.533 56.400 -0.006 0.000 0.818 386 E CB -0.021 29.690 29.700 0.018 0.000 0.758 386 E HN 0.103 nan 8.360 nan 0.000 0.467 387 V N 1.245 121.146 119.914 -0.023 0.000 2.343 387 V HA -0.237 3.884 4.120 0.001 0.000 0.247 387 V C 2.473 178.505 176.094 -0.104 0.000 1.051 387 V CA 2.009 64.290 62.300 -0.032 0.000 1.036 387 V CB -0.426 31.393 31.823 -0.007 0.000 0.654 387 V HN 0.310 nan 8.190 nan 0.000 0.451 388 E N 0.166 120.282 120.200 -0.140 0.000 2.058 388 E HA -0.268 4.082 4.350 0.001 0.000 0.194 388 E C 2.482 178.868 176.600 -0.357 0.000 0.997 388 E CA 1.526 57.745 56.400 -0.301 0.000 0.801 388 E CB -0.058 29.504 29.700 -0.230 0.000 0.746 388 E HN 0.526 nan 8.360 nan 0.000 0.450 389 R N -0.106 120.275 120.500 -0.199 0.000 2.073 389 R HA -0.132 4.208 4.340 0.001 0.000 0.234 389 R C 2.456 178.671 176.300 -0.142 0.000 1.134 389 R CA 1.149 57.154 56.100 -0.158 0.000 0.952 389 R CB -0.370 29.879 30.300 -0.085 0.000 0.850 389 R HN 0.178 nan 8.270 nan 0.000 0.433 390 A N 1.223 123.979 122.820 -0.107 0.000 1.902 390 A HA -0.145 4.176 4.320 0.001 0.000 0.217 390 A C 2.059 179.595 177.584 -0.081 0.000 1.181 390 A CA 1.062 53.059 52.037 -0.066 0.000 0.623 390 A CB -0.386 18.595 19.000 -0.031 0.000 0.818 390 A HN 0.098 nan 8.150 nan 0.000 0.443 391 L N 0.085 121.221 121.223 -0.144 0.000 2.083 391 L HA -0.145 4.195 4.340 0.001 0.000 0.209 391 L C 2.326 179.113 176.870 -0.138 0.000 1.083 391 L CA 1.949 56.715 54.840 -0.122 0.000 0.752 391 L CB -1.382 40.559 42.059 -0.197 0.000 0.899 391 L HN 0.520 nan 8.230 nan 0.000 0.433 392 E N -0.679 119.330 120.200 -0.318 0.000 2.051 392 E HA -0.225 4.125 4.350 0.001 0.000 0.192 392 E C 1.783 178.366 176.600 -0.029 0.000 0.991 392 E CA 1.359 57.656 56.400 -0.173 0.000 0.799 392 E CB 0.016 29.589 29.700 -0.211 0.000 0.748 392 E HN 0.489 nan 8.360 nan 0.000 0.449 393 D N 0.391 120.765 120.400 -0.044 0.000 2.084 393 D HA -0.167 4.473 4.640 0.001 0.000 0.194 393 D C 1.970 178.276 176.300 0.010 0.000 0.990 393 D CA 1.341 55.334 54.000 -0.013 0.000 0.826 393 D CB -0.409 40.380 40.800 -0.019 0.000 0.971 393 D HN 0.148 nan 8.370 nan 0.000 0.453 394 A N 0.994 123.821 122.820 0.012 0.000 1.896 394 A HA -0.232 4.089 4.320 0.001 0.000 0.220 394 A C 2.625 180.237 177.584 0.046 0.000 1.206 394 A CA 2.038 54.093 52.037 0.030 0.000 0.647 394 A CB -1.052 17.971 19.000 0.039 0.000 0.828 394 A HN 0.174 nan 8.150 nan 0.000 0.455 395 V N -0.080 119.882 119.914 0.080 0.000 2.332 395 V HA -0.273 3.847 4.120 0.001 0.000 0.248 395 V C 2.573 178.701 176.094 0.057 0.000 1.055 395 V CA 2.514 64.871 62.300 0.094 0.000 1.038 395 V CB -0.585 31.354 31.823 0.193 0.000 0.651 395 V HN 0.704 nan 8.190 nan 0.000 0.450 396 K N -0.513 119.918 120.400 0.052 0.000 2.155 396 K HA -0.089 4.232 4.320 0.001 0.000 0.203 396 K C 1.987 178.599 176.600 0.021 0.000 1.052 396 K CA 0.987 57.294 56.287 0.034 0.000 0.948 396 K CB 0.016 32.534 32.500 0.030 0.000 0.728 396 K HN 0.320 nan 8.250 nan 0.000 0.448 397 V N 0.481 120.406 119.914 0.019 0.000 2.453 397 V HA -0.189 3.932 4.120 0.001 0.000 0.247 397 V C 2.117 178.217 176.094 0.009 0.000 1.048 397 V CA 1.271 63.579 62.300 0.012 0.000 1.049 397 V CB 0.111 31.940 31.823 0.011 0.000 0.672 397 V HN 0.139 nan 8.190 nan 0.000 0.457 398 V N -0.016 119.904 119.914 0.009 0.000 2.515 398 V HA -0.260 3.861 4.120 0.001 0.000 0.250 398 V C 2.367 178.453 176.094 -0.014 0.000 1.058 398 V CA 2.220 64.518 62.300 -0.003 0.000 1.064 398 V CB -0.624 31.196 31.823 -0.004 0.000 0.675 398 V HN 0.559 nan 8.190 nan 0.000 0.461 399 K N 0.057 120.455 120.400 -0.004 0.000 2.025 399 K HA -0.211 4.110 4.320 0.001 0.000 0.207 399 K C 1.893 178.496 176.600 0.004 0.000 1.049 399 K CA 1.823 58.106 56.287 -0.006 0.000 0.933 399 K CB -0.243 32.261 32.500 0.007 0.000 0.714 399 K HN 0.407 nan 8.250 nan 0.000 0.438 400 D N 0.445 120.851 120.400 0.010 0.000 2.133 400 D HA -0.184 4.457 4.640 0.001 0.000 0.192 400 D C 1.937 178.247 176.300 0.016 0.000 1.001 400 D CA 1.458 55.466 54.000 0.014 0.000 0.844 400 D CB -0.330 40.477 40.800 0.013 0.000 0.944 400 D HN 0.078 nan 8.370 nan 0.000 0.447 401 V N 0.807 120.727 119.914 0.010 0.000 2.427 401 V HA -0.181 3.939 4.120 0.001 0.000 0.248 401 V C 2.458 178.564 176.094 0.020 0.000 1.051 401 V CA 1.140 63.448 62.300 0.014 0.000 1.048 401 V CB -0.350 31.477 31.823 0.008 0.000 0.666 401 V HN 0.225 nan 8.190 nan 0.000 0.456 402 M N -0.709 118.891 119.600 0.001 0.000 2.319 402 M HA -0.112 4.368 4.480 0.001 0.000 0.265 402 M C 2.027 178.384 176.300 0.095 0.000 1.068 402 M CA 1.520 56.822 55.300 0.003 0.000 1.118 402 M CB -0.258 32.261 32.600 -0.135 0.000 1.395 402 M HN 0.446 nan 8.290 nan 0.000 0.435 403 E N -0.051 120.189 120.200 0.068 0.000 2.166 403 E HA -0.088 4.263 4.350 0.001 0.000 0.192 403 E C 1.181 177.819 176.600 0.064 0.000 0.967 403 E CA 0.635 57.085 56.400 0.083 0.000 0.840 403 E CB 0.195 29.929 29.700 0.058 0.000 0.795 403 E HN 0.429 nan 8.360 nan 0.000 0.470 404 D N -0.160 120.268 120.400 0.047 0.000 2.201 404 D HA 0.012 4.652 4.640 0.001 0.000 0.209 404 D C 1.333 177.655 176.300 0.038 0.000 0.961 404 D CA 1.208 55.229 54.000 0.036 0.000 0.861 404 D CB 0.049 40.864 40.800 0.025 0.000 0.997 404 D HN 0.275 nan 8.370 nan 0.000 0.486 405 G N 0.409 109.235 108.800 0.043 0.000 2.160 405 G HA2 -0.067 3.894 3.960 0.001 0.000 0.251 405 G HA3 -0.067 3.894 3.960 0.001 0.000 0.251 405 G C 0.220 175.138 174.900 0.030 0.000 1.008 405 G CA 0.510 45.636 45.100 0.044 0.000 0.724 405 G HN 0.701 nan 8.290 nan 0.000 0.514 406 A N -1.565 121.270 122.820 0.024 0.000 2.475 406 A HA 0.983 5.304 4.320 0.001 0.000 0.301 406 A C -0.572 177.022 177.584 0.016 0.000 1.059 406 A CA -0.030 52.018 52.037 0.019 0.000 0.710 406 A CB 2.717 21.727 19.000 0.016 0.000 1.288 406 A HN 1.683 nan 8.150 nan 0.000 0.408 407 V N 2.239 122.162 119.914 0.015 0.000 3.114 407 V HA 0.777 4.898 4.120 0.001 0.000 0.308 407 V C -1.454 174.648 176.094 0.014 0.000 1.168 407 V CA -0.572 61.736 62.300 0.014 0.000 1.015 407 V CB 2.132 33.964 31.823 0.014 0.000 1.050 407 V HN 0.914 nan 8.190 nan 0.000 0.433 408 L N 5.040 126.271 121.223 0.013 0.000 2.327 408 L HA 0.683 5.023 4.340 0.001 0.000 0.258 408 L C -2.533 174.346 176.870 0.015 0.000 1.024 408 L CA -1.880 52.969 54.840 0.015 0.000 0.825 408 L CB 2.968 45.035 42.059 0.013 0.000 1.386 408 L HN 0.478 nan 8.230 nan 0.000 0.417 409 P HA 0.252 nan 4.420 nan 0.000 0.276 409 P C -0.971 176.336 177.300 0.012 0.000 1.244 409 P CA -0.186 62.927 63.100 0.021 0.000 0.801 409 P CB 1.840 33.561 31.700 0.035 0.000 1.006 410 A N 1.365 124.187 122.820 0.004 0.000 3.778 410 A HA 0.657 4.978 4.320 0.001 0.000 0.156 410 A C 1.236 178.810 177.584 -0.017 0.000 1.681 410 A CA 0.041 52.072 52.037 -0.010 0.000 1.240 410 A CB -1.039 17.951 19.000 -0.017 0.000 1.750 410 A HN 0.665 nan 8.150 nan 0.000 0.675 411 G N -1.927 106.852 108.800 -0.035 0.000 2.258 411 G HA2 0.177 4.138 3.960 0.001 0.000 0.274 411 G HA3 0.177 4.138 3.960 0.001 0.000 0.274 411 G C 1.663 176.536 174.900 -0.044 0.000 1.021 411 G CA 1.370 46.443 45.100 -0.044 0.000 0.798 411 G HN 2.580 nan 8.290 nan 0.000 0.507 412 G N -1.761 107.010 108.800 -0.049 0.000 2.184 412 G HA2 0.041 4.002 3.960 0.001 0.000 0.264 412 G HA3 0.041 4.002 3.960 0.001 0.000 0.264 412 G C 1.658 176.512 174.900 -0.078 0.000 0.975 412 G CA 1.347 46.409 45.100 -0.063 0.000 0.642 412 G HN 2.051 nan 8.290 nan 0.000 0.536 413 A N 0.995 123.787 122.820 -0.047 0.000 1.865 413 A HA 0.170 4.490 4.320 0.001 0.000 0.217 413 A C 0.633 178.175 177.584 -0.070 0.000 1.191 413 A CA 2.502 54.517 52.037 -0.036 0.000 0.623 413 A CB -1.083 17.953 19.000 0.060 0.000 0.826 413 A HN 0.462 nan 8.150 nan 0.000 0.444 414 P HA -0.114 nan 4.420 nan 0.000 0.217 414 P C 0.933 178.201 177.300 -0.053 0.000 1.150 414 P CA 1.513 64.601 63.100 -0.021 0.000 0.832 414 P CB -0.043 31.651 31.700 -0.009 0.000 0.787 415 E N -0.867 119.290 120.200 -0.072 0.000 2.150 415 E HA -0.091 4.260 4.350 0.001 0.000 0.193 415 E C 1.940 178.471 176.600 -0.115 0.000 0.985 415 E CA 0.837 57.190 56.400 -0.078 0.000 0.814 415 E CB -0.773 28.878 29.700 -0.081 0.000 0.752 415 E HN 0.260 nan 8.360 nan 0.000 0.466 416 I N 0.456 120.906 120.570 -0.199 0.000 2.353 416 I HA -0.197 3.974 4.170 0.001 0.000 0.248 416 I C 2.309 178.227 176.117 -0.331 0.000 1.119 416 I CA 0.893 62.010 61.300 -0.304 0.000 1.417 416 I CB -0.042 37.664 38.000 -0.490 0.000 1.078 416 I HN 0.088 nan 8.210 nan 0.000 0.421 417 E N 1.466 121.486 120.200 -0.299 0.000 2.031 417 E HA -0.217 4.133 4.350 0.001 0.000 0.193 417 E C 2.068 178.665 176.600 -0.005 0.000 0.994 417 E CA 1.496 57.870 56.400 -0.044 0.000 0.800 417 E CB -0.182 29.569 29.700 0.084 0.000 0.752 417 E HN 0.120 nan 8.360 nan 0.000 0.447 418 L N 0.671 121.885 121.223 -0.015 0.000 2.012 418 L HA -0.121 4.219 4.340 0.001 0.000 0.210 418 L C 2.402 179.291 176.870 0.031 0.000 1.073 418 L CA 2.155 57.005 54.840 0.017 0.000 0.748 418 L CB -1.485 40.590 42.059 0.027 0.000 0.891 418 L HN 0.297 nan 8.230 nan 0.000 0.431 419 A N -0.605 122.215 122.820 0.001 0.000 1.908 419 A HA -0.204 4.116 4.320 0.001 0.000 0.218 419 A C 2.306 179.907 177.584 0.028 0.000 1.181 419 A CA 1.909 53.954 52.037 0.013 0.000 0.627 419 A CB -0.669 18.315 19.000 -0.026 0.000 0.818 419 A HN 0.396 nan 8.150 nan 0.000 0.445 420 I N -0.952 119.629 120.570 0.018 0.000 2.072 420 I HA -0.301 3.870 4.170 0.001 0.000 0.235 420 I C 2.811 178.964 176.117 0.060 0.000 1.058 420 I CA 1.718 63.044 61.300 0.044 0.000 1.320 420 I CB -0.528 37.513 38.000 0.069 0.000 1.047 420 I HN 0.287 nan 8.210 nan 0.000 0.397 421 R N 0.781 121.318 120.500 0.061 0.000 2.112 421 R HA -0.202 4.138 4.340 0.001 0.000 0.242 421 R C 2.336 178.691 176.300 0.092 0.000 1.137 421 R CA 1.600 57.739 56.100 0.065 0.000 0.944 421 R CB -0.844 29.482 30.300 0.042 0.000 0.857 421 R HN 0.367 nan 8.270 nan 0.000 0.435 422 L N 0.639 121.916 121.223 0.091 0.000 2.081 422 L HA -0.234 4.107 4.340 0.001 0.000 0.212 422 L C 2.351 179.321 176.870 0.168 0.000 1.080 422 L CA 1.242 56.167 54.840 0.143 0.000 0.754 422 L CB -0.617 41.523 42.059 0.136 0.000 0.893 422 L HN 0.308 nan 8.230 nan 0.000 0.433 423 D N -0.013 120.456 120.400 0.115 0.000 2.178 423 D HA -0.223 4.418 4.640 0.001 0.000 0.202 423 D C 2.024 178.371 176.300 0.078 0.000 0.974 423 D CA 1.098 55.151 54.000 0.089 0.000 0.841 423 D CB 0.292 41.132 40.800 0.065 0.000 0.953 423 D HN 0.453 nan 8.370 nan 0.000 0.478 424 E N -0.946 119.310 120.200 0.093 0.000 2.158 424 E HA -0.180 4.171 4.350 0.001 0.000 0.191 424 E C 1.918 178.585 176.600 0.112 0.000 0.982 424 E CA 0.227 56.677 56.400 0.083 0.000 0.823 424 E CB -0.114 29.634 29.700 0.080 0.000 0.766 424 E HN 0.255 nan 8.360 nan 0.000 0.468 425 Y N 0.939 121.244 120.300 0.009 0.000 2.242 425 Y HA -0.058 4.493 4.550 0.000 0.000 0.291 425 Y C 1.929 177.831 175.900 0.003 0.000 1.137 425 Y CA 1.226 59.327 58.100 0.000 0.000 1.181 425 Y CB -0.624 37.829 38.460 -0.011 0.000 0.989 425 Y HN 0.121 nan 8.280 nan 0.000 0.527 426 A N 1.076 123.853 122.820 -0.072 0.000 1.851 426 A HA -0.213 4.107 4.320 0.001 0.000 0.216 426 A C 2.280 179.784 177.584 -0.133 0.000 1.195 426 A CA 2.069 54.022 52.037 -0.140 0.000 0.622 426 A CB -0.670 18.319 19.000 -0.018 0.000 0.831 426 A HN 0.333 nan 8.150 nan 0.000 0.444 427 K N -0.157 120.209 120.400 -0.055 0.000 2.189 427 K HA -0.247 4.074 4.320 0.001 0.000 0.207 427 K C 2.134 178.695 176.600 -0.064 0.000 1.046 427 K CA 1.982 58.244 56.287 -0.040 0.000 0.928 427 K CB -0.460 32.036 32.500 -0.007 0.000 0.720 427 K HN 0.747 nan 8.250 nan 0.000 0.458 428 Q N 0.016 119.759 119.800 -0.093 0.000 2.016 428 Q HA -0.111 4.229 4.340 0.001 0.000 0.200 428 Q C 2.245 178.157 176.000 -0.146 0.000 0.978 428 Q CA 1.723 57.468 55.803 -0.096 0.000 0.833 428 Q CB -0.215 28.488 28.738 -0.058 0.000 0.895 428 Q HN 0.324 nan 8.270 nan 0.000 0.427 429 V N -1.455 118.293 119.914 -0.276 0.000 2.453 429 V HA 0.099 4.220 4.120 0.001 0.000 0.247 429 V C 1.076 177.088 176.094 -0.137 0.000 1.048 429 V CA 1.236 63.399 62.300 -0.229 0.000 1.049 429 V CB -1.338 30.284 31.823 -0.336 0.000 0.672 429 V HN 0.497 nan 8.190 nan 0.000 0.457 430 G N -0.294 108.431 108.800 -0.125 0.000 2.740 430 G HA2 0.260 4.220 3.960 0.001 0.000 0.250 430 G HA3 0.260 4.220 3.960 0.001 0.000 0.250 430 G C 0.942 175.807 174.900 -0.059 0.000 1.358 430 G CA 0.248 45.304 45.100 -0.074 0.000 0.897 430 G HN 2.503 nan 8.290 nan 0.000 0.567 431 G N -1.470 107.307 108.800 -0.038 0.000 2.553 431 G HA2 -0.106 3.854 3.960 0.001 0.000 0.242 431 G HA3 -0.106 3.854 3.960 0.001 0.000 0.242 431 G C 0.830 175.718 174.900 -0.022 0.000 1.277 431 G CA 0.994 46.077 45.100 -0.028 0.000 0.910 431 G HN 1.403 nan 8.290 nan 0.000 0.576 432 K N 0.411 120.802 120.400 -0.017 0.000 2.186 432 K HA 0.085 4.405 4.320 0.001 0.000 0.202 432 K C 2.331 178.928 176.600 -0.006 0.000 1.052 432 K CA 1.399 57.681 56.287 -0.007 0.000 0.965 432 K CB 0.001 32.499 32.500 -0.003 0.000 0.746 432 K HN 0.526 nan 8.250 nan 0.000 0.457 433 E N 1.256 121.447 120.200 -0.016 0.000 2.160 433 E HA -0.184 4.167 4.350 0.001 0.000 0.195 433 E C 1.893 178.486 176.600 -0.012 0.000 0.991 433 E CA 1.259 57.652 56.400 -0.013 0.000 0.810 433 E CB -0.149 29.532 29.700 -0.032 0.000 0.742 433 E HN 0.328 nan 8.360 nan 0.000 0.466 434 A N 0.597 123.397 122.820 -0.034 0.000 1.940 434 A HA -0.181 4.140 4.320 0.001 0.000 0.219 434 A C 2.104 179.696 177.584 0.013 0.000 1.176 434 A CA 1.108 53.124 52.037 -0.036 0.000 0.631 434 A CB -0.556 18.417 19.000 -0.046 0.000 0.814 434 A HN 0.185 nan 8.150 nan 0.000 0.446 435 L N -1.052 120.185 121.223 0.024 0.000 2.027 435 L HA -0.165 4.175 4.340 0.001 0.000 0.206 435 L C 3.116 180.044 176.870 0.097 0.000 1.074 435 L CA 1.099 55.968 54.840 0.047 0.000 0.745 435 L CB -0.669 41.408 42.059 0.031 0.000 0.898 435 L HN 0.430 nan 8.230 nan 0.000 0.433 436 A N 0.377 123.257 122.820 0.101 0.000 1.933 436 A HA -0.156 4.164 4.320 0.001 0.000 0.218 436 A C 2.201 179.994 177.584 0.349 0.000 1.175 436 A CA 1.436 53.594 52.037 0.201 0.000 0.628 436 A CB -0.611 18.444 19.000 0.091 0.000 0.814 436 A HN 0.362 nan 8.150 nan 0.000 0.444 437 I N 0.239 120.928 120.570 0.199 0.000 2.252 437 I HA -0.256 3.914 4.170 0.001 0.000 0.245 437 I C 2.561 178.792 176.117 0.189 0.000 1.102 437 I CA 1.699 63.104 61.300 0.174 0.000 1.385 437 I CB -0.504 37.532 38.000 0.061 0.000 1.064 437 I HN 0.641 nan 8.210 nan 0.000 0.414 438 E N 0.972 121.254 120.200 0.138 0.000 2.274 438 E HA -0.180 4.170 4.350 0.001 0.000 0.194 438 E C 1.523 178.205 176.600 0.137 0.000 0.996 438 E CA 1.053 57.524 56.400 0.118 0.000 0.840 438 E CB -0.408 29.336 29.700 0.073 0.000 0.772 438 E HN 0.581 nan 8.360 nan 0.000 0.491 439 N N -0.348 118.466 118.700 0.190 0.000 2.333 439 N HA -0.050 4.690 4.740 0.001 0.000 0.178 439 N C 1.490 177.092 175.510 0.153 0.000 1.018 439 N CA 0.552 53.713 53.050 0.186 0.000 0.882 439 N CB -0.113 38.529 38.487 0.258 0.000 0.984 439 N HN 0.138 nan 8.380 nan 0.000 0.434 440 F N 2.194 122.143 119.950 -0.001 0.000 2.134 440 F HA -0.110 4.418 4.527 0.001 0.000 0.299 440 F C 2.366 178.093 175.800 -0.122 0.000 1.097 440 F CA 1.196 59.050 58.000 -0.243 0.000 1.264 440 F CB -0.072 38.751 39.000 -0.294 0.000 1.001 440 F HN -0.055 nan 8.300 nan 0.000 0.479 441 A N -0.375 122.587 122.820 0.236 0.000 1.902 441 A HA -0.228 4.093 4.320 0.001 0.000 0.217 441 A C 1.833 179.432 177.584 0.026 0.000 1.181 441 A CA 2.046 54.168 52.037 0.140 0.000 0.623 441 A CB -1.170 17.909 19.000 0.131 0.000 0.818 441 A HN 0.496 nan 8.150 nan 0.000 0.443 442 D N -0.376 120.037 120.400 0.023 0.000 2.084 442 D HA -0.038 4.602 4.640 0.001 0.000 0.194 442 D C 2.123 178.388 176.300 -0.059 0.000 0.990 442 D CA 1.719 55.714 54.000 -0.008 0.000 0.826 442 D CB -0.231 40.577 40.800 0.013 0.000 0.971 442 D HN 0.331 nan 8.370 nan 0.000 0.453 443 A N 0.393 123.153 122.820 -0.100 0.000 1.958 443 A HA -0.197 4.123 4.320 0.001 0.000 0.221 443 A C 2.344 179.812 177.584 -0.194 0.000 1.178 443 A CA 1.298 53.236 52.037 -0.165 0.000 0.642 443 A CB -1.069 17.767 19.000 -0.273 0.000 0.816 443 A HN 0.426 nan 8.150 nan 0.000 0.453 444 L N -1.051 120.042 121.223 -0.216 0.000 2.349 444 L HA -0.182 4.159 4.340 0.001 0.000 0.220 444 L C 1.923 178.722 176.870 -0.119 0.000 1.130 444 L CA 1.338 56.069 54.840 -0.181 0.000 0.791 444 L CB -0.391 41.588 42.059 -0.133 0.000 0.918 444 L HN 0.427 nan 8.230 nan 0.000 0.444 445 K N -0.021 120.322 120.400 -0.096 0.000 2.525 445 K HA -0.033 4.287 4.320 0.001 0.000 0.192 445 K C 1.680 178.236 176.600 -0.074 0.000 1.029 445 K CA 0.385 56.625 56.287 -0.077 0.000 1.029 445 K CB 0.028 32.492 32.500 -0.060 0.000 0.814 445 K HN 0.269 nan 8.250 nan 0.000 0.503 446 I N 0.217 120.738 120.570 -0.082 0.000 2.361 446 I HA -0.254 3.916 4.170 0.001 0.000 0.251 446 I C 1.827 177.903 176.117 -0.069 0.000 1.133 446 I CA 1.088 62.345 61.300 -0.072 0.000 1.413 446 I CB -0.583 37.371 38.000 -0.076 0.000 1.073 446 I HN 0.007 nan 8.210 nan 0.000 0.424 447 I N 1.856 122.380 120.570 -0.076 0.000 2.076 447 I HA -0.169 4.001 4.170 0.001 0.000 0.237 447 I C 0.166 176.243 176.117 -0.067 0.000 1.059 447 I CA 2.019 63.277 61.300 -0.071 0.000 1.317 447 I CB -2.917 35.039 38.000 -0.073 0.000 1.037 447 I HN 0.225 nan 8.210 nan 0.000 0.398 448 P HA -0.202 nan 4.420 nan 0.000 0.217 448 P C 1.693 178.959 177.300 -0.056 0.000 1.150 448 P CA 1.713 64.775 63.100 -0.063 0.000 0.832 448 P CB -0.092 31.568 31.700 -0.067 0.000 0.787 449 K N -0.075 120.293 120.400 -0.054 0.000 2.026 449 K HA -0.101 4.220 4.320 0.001 0.000 0.208 449 K C 1.969 178.542 176.600 -0.046 0.000 1.048 449 K CA 2.019 58.278 56.287 -0.046 0.000 0.929 449 K CB -0.616 31.857 32.500 -0.044 0.000 0.713 449 K HN -0.011 nan 8.250 nan 0.000 0.439 450 T N 1.885 116.409 114.554 -0.051 0.000 2.867 450 T HA -0.061 4.289 4.350 0.001 0.000 0.268 450 T C 1.774 176.442 174.700 -0.054 0.000 1.057 450 T CA 1.120 63.190 62.100 -0.050 0.000 1.136 450 T CB -0.087 68.750 68.868 -0.052 0.000 0.874 450 T HN 0.159 nan 8.240 nan 0.000 0.466 451 L N 0.780 121.965 121.223 -0.063 0.000 2.017 451 L HA -0.103 4.238 4.340 0.001 0.000 0.208 451 L C 3.074 179.902 176.870 -0.071 0.000 1.073 451 L CA 1.398 56.192 54.840 -0.077 0.000 0.745 451 L CB -0.708 41.299 42.059 -0.085 0.000 0.894 451 L HN 0.242 nan 8.230 nan 0.000 0.432 452 A N -0.293 122.493 122.820 -0.056 0.000 1.898 452 A HA -0.243 4.078 4.320 0.001 0.000 0.216 452 A C 2.263 179.825 177.584 -0.036 0.000 1.181 452 A CA 1.720 53.730 52.037 -0.044 0.000 0.620 452 A CB -0.499 18.481 19.000 -0.035 0.000 0.819 452 A HN 0.480 nan 8.150 nan 0.000 0.442 453 E N 0.073 120.251 120.200 -0.036 0.000 2.077 453 E HA -0.222 4.128 4.350 0.001 0.000 0.193 453 E C 1.418 178.000 176.600 -0.029 0.000 0.989 453 E CA 1.408 57.790 56.400 -0.030 0.000 0.800 453 E CB -0.138 29.544 29.700 -0.031 0.000 0.746 453 E HN 0.543 nan 8.360 nan 0.000 0.452 454 N N -0.013 118.665 118.700 -0.036 0.000 2.459 454 N HA -0.061 4.679 4.740 0.001 0.000 0.181 454 N C 1.043 176.536 175.510 -0.028 0.000 1.046 454 N CA 0.984 54.014 53.050 -0.033 0.000 0.904 454 N CB 0.103 38.564 38.487 -0.042 0.000 0.964 454 N HN 0.209 nan 8.380 nan 0.000 0.444 455 A N -0.297 122.503 122.820 -0.033 0.000 2.275 455 A HA 0.436 4.757 4.320 0.001 0.000 0.212 455 A C 1.473 179.054 177.584 -0.004 0.000 1.201 455 A CA 0.629 52.653 52.037 -0.021 0.000 0.843 455 A CB -0.199 18.777 19.000 -0.040 0.000 0.873 455 A HN 0.246 nan 8.150 nan 0.000 0.492 456 G N -0.976 107.819 108.800 -0.009 0.000 2.148 456 G HA2 -0.216 3.744 3.960 0.001 0.000 0.254 456 G HA3 -0.216 3.744 3.960 0.001 0.000 0.254 456 G C 0.095 174.993 174.900 -0.004 0.000 0.981 456 G CA 0.425 45.523 45.100 -0.004 0.000 0.670 456 G HN 0.442 nan 8.290 nan 0.000 0.528 457 L N 0.314 121.532 121.223 -0.008 0.000 2.439 457 L HA 0.417 4.757 4.340 0.001 0.000 0.259 457 L C 0.676 177.541 176.870 -0.009 0.000 1.129 457 L CA -0.884 53.952 54.840 -0.006 0.000 0.803 457 L CB 0.626 42.679 42.059 -0.009 0.000 1.161 457 L HN 0.120 nan 8.230 nan 0.000 0.462 458 D N 0.820 121.216 120.400 -0.006 0.000 2.348 458 D HA -0.023 4.617 4.640 0.001 0.000 0.259 458 D C 0.935 177.229 176.300 -0.010 0.000 1.296 458 D CA 0.128 54.123 54.000 -0.007 0.000 0.931 458 D CB 1.218 42.015 40.800 -0.004 0.000 1.067 458 D HN 0.515 nan 8.370 nan 0.000 0.503 459 T N 2.990 117.536 114.554 -0.014 0.000 2.624 459 T HA -0.174 4.176 4.350 0.001 0.000 0.268 459 T C 2.016 176.707 174.700 -0.015 0.000 1.041 459 T CA 1.634 63.724 62.100 -0.017 0.000 1.159 459 T CB 0.022 68.879 68.868 -0.019 0.000 0.863 459 T HN 0.376 nan 8.240 nan 0.000 0.434 460 V N 1.327 121.234 119.914 -0.011 0.000 2.287 460 V HA -0.201 3.919 4.120 0.001 0.000 0.248 460 V C 2.400 178.491 176.094 -0.006 0.000 1.053 460 V CA 1.935 64.230 62.300 -0.009 0.000 1.027 460 V CB -0.660 31.159 31.823 -0.007 0.000 0.646 460 V HN 0.592 nan 8.190 nan 0.000 0.447 461 E N -0.691 119.506 120.200 -0.005 0.000 2.046 461 E HA -0.160 4.191 4.350 0.001 0.000 0.190 461 E C 2.339 178.937 176.600 -0.002 0.000 0.982 461 E CA 1.133 57.531 56.400 -0.002 0.000 0.800 461 E CB -0.247 29.452 29.700 -0.001 0.000 0.756 461 E HN 0.339 nan 8.360 nan 0.000 0.449 462 M N 0.676 120.273 119.600 -0.005 0.000 2.082 462 M HA -0.172 4.308 4.480 0.001 0.000 0.258 462 M C 2.367 178.662 176.300 -0.007 0.000 1.069 462 M CA 1.141 56.437 55.300 -0.006 0.000 1.102 462 M CB -0.775 31.818 32.600 -0.012 0.000 1.336 462 M HN 0.162 nan 8.290 nan 0.000 0.404 463 L N -0.268 120.948 121.223 -0.012 0.000 2.079 463 L HA -0.156 4.185 4.340 0.001 0.000 0.210 463 L C 2.453 179.319 176.870 -0.006 0.000 1.081 463 L CA 1.350 56.181 54.840 -0.015 0.000 0.752 463 L CB -1.094 40.955 42.059 -0.018 0.000 0.896 463 L HN 0.080 nan 8.230 nan 0.000 0.433 464 V N -1.155 118.758 119.914 -0.002 0.000 2.379 464 V HA -0.239 3.881 4.120 0.001 0.000 0.245 464 V C 2.489 178.590 176.094 0.011 0.000 1.044 464 V CA 1.346 63.648 62.300 0.005 0.000 1.036 464 V CB -0.503 31.323 31.823 0.004 0.000 0.664 464 V HN 0.301 nan 8.190 nan 0.000 0.453 465 K N 0.677 121.083 120.400 0.010 0.000 2.097 465 K HA -0.107 4.213 4.320 0.001 0.000 0.206 465 K C 1.952 178.567 176.600 0.025 0.000 1.049 465 K CA 1.608 57.904 56.287 0.016 0.000 0.933 465 K CB -0.895 31.613 32.500 0.012 0.000 0.717 465 K HN 0.535 nan 8.250 nan 0.000 0.442 466 V N -0.392 119.536 119.914 0.022 0.000 2.270 466 V HA -0.170 3.951 4.120 0.001 0.000 0.245 466 V C 2.060 178.194 176.094 0.066 0.000 1.043 466 V CA 1.450 63.773 62.300 0.038 0.000 1.014 466 V CB -0.808 31.021 31.823 0.011 0.000 0.645 466 V HN 0.133 nan 8.190 nan 0.000 0.447 467 I N 1.113 121.703 120.570 0.033 0.000 2.194 467 I HA -0.280 3.891 4.170 0.001 0.000 0.246 467 I C 2.902 179.068 176.117 0.082 0.000 1.093 467 I CA 2.125 63.452 61.300 0.045 0.000 1.355 467 I CB -0.577 37.431 38.000 0.014 0.000 1.046 467 I HN 0.447 nan 8.210 nan 0.000 0.413 468 S N 0.597 116.331 115.700 0.056 0.000 2.344 468 S HA -0.205 4.265 4.470 0.001 0.000 0.217 468 S C 1.944 176.575 174.600 0.053 0.000 1.033 468 S CA 1.571 59.800 58.200 0.047 0.000 1.017 468 S CB -0.216 63.002 63.200 0.030 0.000 0.941 468 S HN 0.424 nan 8.310 nan 0.000 0.430 469 E N -0.566 119.665 120.200 0.052 0.000 2.118 469 E HA -0.229 4.122 4.350 0.001 0.000 0.195 469 E C 2.012 178.638 176.600 0.043 0.000 0.992 469 E CA 1.427 57.851 56.400 0.039 0.000 0.804 469 E CB -0.362 29.360 29.700 0.036 0.000 0.741 469 E HN 0.729 nan 8.360 nan 0.000 0.458 470 H N 1.322 120.393 119.070 0.002 0.000 2.387 470 H HA -0.072 4.485 4.556 0.001 0.000 0.299 470 H C 1.768 177.098 175.328 0.004 0.000 1.099 470 H CA 1.720 57.769 56.048 0.002 0.000 1.315 470 H CB 0.219 29.981 29.762 0.001 0.000 1.380 470 H HN -0.062 nan 8.280 nan 0.000 0.513 471 K N -0.550 119.897 120.400 0.079 0.000 2.283 471 K HA -0.075 4.246 4.320 0.001 0.000 0.202 471 K C 1.499 178.086 176.600 -0.021 0.000 1.048 471 K CA 1.377 57.686 56.287 0.036 0.000 0.948 471 K CB 0.141 32.677 32.500 0.061 0.000 0.742 471 K HN 0.419 nan 8.250 nan 0.000 0.458 472 N N 0.031 118.715 118.700 -0.027 0.000 2.387 472 N HA 0.017 4.757 4.740 0.001 0.000 0.176 472 N C 1.057 176.534 175.510 -0.055 0.000 1.022 472 N CA 0.636 53.668 53.050 -0.030 0.000 0.883 472 N CB 0.307 38.786 38.487 -0.013 0.000 1.019 472 N HN 0.013 nan 8.380 nan 0.000 0.435 473 R N 0.019 120.469 120.500 -0.083 0.000 2.362 473 R HA 0.338 4.678 4.340 0.001 0.000 0.227 473 R C 0.438 176.644 176.300 -0.157 0.000 0.905 473 R CA 0.262 56.307 56.100 -0.093 0.000 1.067 473 R CB 0.703 30.966 30.300 -0.061 0.000 1.078 473 R HN 0.167 nan 8.270 nan 0.000 0.516 474 G N 1.144 109.777 108.800 -0.279 0.000 2.760 474 G HA2 -0.299 3.661 3.960 0.001 0.000 0.246 474 G HA3 -0.299 3.661 3.960 0.001 0.000 0.246 474 G C 0.419 174.987 174.900 -0.554 0.000 1.359 474 G CA -0.278 44.594 45.100 -0.380 0.000 0.861 474 G HN 0.132 nan 8.290 nan 0.000 0.541 475 L N 0.737 121.781 121.223 -0.298 0.000 2.113 475 L HA -0.198 4.143 4.340 0.001 0.000 0.237 475 L C 3.006 179.913 176.870 0.063 0.000 1.113 475 L CA 3.976 58.800 54.840 -0.027 0.000 0.837 475 L CB -1.085 40.985 42.059 0.018 0.000 0.929 475 L HN 1.937 nan 8.230 nan 0.000 0.449 476 G N -0.048 108.746 108.800 -0.009 0.000 2.517 476 G HA2 -0.195 3.765 3.960 0.001 0.000 0.222 476 G HA3 -0.195 3.765 3.960 0.001 0.000 0.222 476 G C 0.893 175.834 174.900 0.068 0.000 1.109 476 G CA 0.695 45.812 45.100 0.028 0.000 0.746 476 G HN 0.405 nan 8.290 nan 0.000 0.576 477 I N 1.964 122.579 120.570 0.075 0.000 2.581 477 I HA 0.345 4.515 4.170 0.001 0.000 0.285 477 I C 0.990 177.254 176.117 0.244 0.000 1.129 477 I CA 0.049 61.442 61.300 0.154 0.000 1.397 477 I CB -0.097 37.975 38.000 0.121 0.000 1.399 477 I HN 0.056 nan 8.210 nan 0.000 0.537 478 G N 6.695 115.558 108.800 0.105 0.000 2.975 478 G HA2 0.707 4.667 3.960 0.001 0.000 0.291 478 G HA3 0.707 4.667 3.960 0.001 0.000 0.291 478 G C -0.919 173.993 174.900 0.020 0.000 1.334 478 G CA -0.736 44.392 45.100 0.047 0.000 0.843 478 G HN 0.386 nan 8.290 nan 0.000 0.548 479 I N 0.432 120.996 120.570 -0.010 0.000 2.353 479 I HA 0.219 4.389 4.170 0.001 0.000 0.293 479 I C -0.852 175.246 176.117 -0.032 0.000 0.992 479 I CA -0.305 60.983 61.300 -0.020 0.000 1.268 479 I CB 1.858 39.836 38.000 -0.037 0.000 1.387 479 I HN 0.403 nan 8.210 nan 0.000 0.478 480 D N 5.445 125.835 120.400 -0.017 0.000 2.500 480 D HA 0.155 4.795 4.640 0.001 0.000 0.219 480 D C 1.184 177.464 176.300 -0.033 0.000 1.137 480 D CA -0.405 53.585 54.000 -0.016 0.000 0.946 480 D CB 0.962 41.779 40.800 0.028 0.000 1.022 480 D HN 0.396 nan 8.370 nan 0.000 0.518 481 V N 1.897 121.736 119.914 -0.124 0.000 2.380 481 V HA -0.216 3.905 4.120 0.001 0.000 0.251 481 V C 1.660 177.719 176.094 -0.059 0.000 1.063 481 V CA 1.324 63.532 62.300 -0.153 0.000 1.055 481 V CB -0.964 30.682 31.823 -0.294 0.000 0.657 481 V HN 0.362 nan 8.190 nan 0.000 0.455 482 F N 0.838 120.785 119.950 -0.005 0.000 2.604 482 F HA 0.185 4.713 4.527 0.001 0.000 0.298 482 F C 2.300 178.097 175.800 -0.005 0.000 1.131 482 F CA 0.905 58.902 58.000 -0.006 0.000 1.457 482 F CB -0.307 38.689 39.000 -0.006 0.000 1.095 482 F HN 0.296 nan 8.300 nan 0.000 0.574 483 E N -0.991 119.307 120.200 0.164 0.000 2.601 483 E HA 0.201 4.552 4.350 0.001 0.000 0.219 483 E C 1.511 178.146 176.600 0.058 0.000 0.964 483 E CA 0.481 56.939 56.400 0.096 0.000 1.050 483 E CB 0.205 29.950 29.700 0.077 0.000 1.068 483 E HN 0.190 nan 8.360 nan 0.000 0.496 484 G N 2.700 111.529 108.800 0.048 0.000 2.390 484 G HA2 -0.328 3.633 3.960 0.001 0.000 0.299 484 G HA3 -0.328 3.633 3.960 0.001 0.000 0.299 484 G C 0.208 175.119 174.900 0.019 0.000 1.002 484 G CA 1.604 46.719 45.100 0.025 0.000 0.979 484 G HN 0.203 nan 8.290 nan 0.000 0.513 485 K N -0.707 119.705 120.400 0.019 0.000 2.546 485 K HA 0.569 4.889 4.320 0.001 0.000 0.264 485 K C -2.831 173.778 176.600 0.016 0.000 0.937 485 K CA -2.088 54.209 56.287 0.017 0.000 0.833 485 K CB 2.076 34.589 32.500 0.022 0.000 1.378 485 K HN -0.058 nan 8.250 nan 0.000 0.432 486 P HA 0.260 nan 4.420 nan 0.000 0.271 486 P C -1.513 175.802 177.300 0.024 0.000 1.244 486 P CA -0.216 62.896 63.100 0.021 0.000 0.793 486 P CB 0.861 32.578 31.700 0.027 0.000 0.984 487 A N 0.053 122.890 122.820 0.029 0.000 2.549 487 A HA 0.391 4.712 4.320 0.001 0.000 0.291 487 A C -1.593 176.008 177.584 0.029 0.000 1.034 487 A CA -0.470 51.583 52.037 0.026 0.000 0.655 487 A CB 0.428 19.444 19.000 0.027 0.000 1.299 487 A HN 0.422 nan 8.150 nan 0.000 0.427 488 D N 1.938 122.351 120.400 0.022 0.000 2.374 488 D HA 0.279 4.919 4.640 0.001 0.000 0.240 488 D C 1.245 177.559 176.300 0.023 0.000 1.229 488 D CA -0.364 53.647 54.000 0.019 0.000 0.895 488 D CB 0.360 41.166 40.800 0.009 0.000 1.046 488 D HN 0.366 nan 8.370 nan 0.000 0.498 489 M N 3.198 122.815 119.600 0.028 0.000 2.149 489 M HA -0.170 4.311 4.480 0.001 0.000 0.261 489 M C 1.530 177.843 176.300 0.022 0.000 1.064 489 M CA 0.765 56.080 55.300 0.025 0.000 1.102 489 M CB -0.490 32.125 32.600 0.025 0.000 1.369 489 M HN 0.444 nan 8.290 nan 0.000 0.408 490 L N 0.142 121.377 121.223 0.020 0.000 2.083 490 L HA -0.147 4.193 4.340 0.001 0.000 0.209 490 L C 2.291 179.171 176.870 0.016 0.000 1.083 490 L CA 1.678 56.528 54.840 0.017 0.000 0.752 490 L CB -1.430 40.637 42.059 0.013 0.000 0.899 490 L HN 0.393 nan 8.230 nan 0.000 0.433 491 E N -0.003 120.206 120.200 0.015 0.000 2.072 491 E HA -0.192 4.159 4.350 0.001 0.000 0.191 491 E C 1.705 178.317 176.600 0.019 0.000 0.985 491 E CA 0.948 57.356 56.400 0.015 0.000 0.801 491 E CB 0.036 29.744 29.700 0.013 0.000 0.750 491 E HN 0.487 nan 8.360 nan 0.000 0.452 492 K N -0.479 119.935 120.400 0.024 0.000 2.487 492 K HA 0.099 4.420 4.320 0.001 0.000 0.192 492 K C 1.064 177.683 176.600 0.031 0.000 1.027 492 K CA 0.507 56.813 56.287 0.030 0.000 1.054 492 K CB 0.610 33.133 32.500 0.038 0.000 0.824 492 K HN 0.228 nan 8.250 nan 0.000 0.510 493 G N 2.170 110.985 108.800 0.026 0.000 2.184 493 G HA2 -0.282 3.678 3.960 0.001 0.000 0.264 493 G HA3 -0.282 3.678 3.960 0.001 0.000 0.264 493 G C 0.273 175.188 174.900 0.026 0.000 0.975 493 G CA -0.106 45.009 45.100 0.025 0.000 0.642 493 G HN 0.361 nan 8.290 nan 0.000 0.536 494 I N 1.000 121.586 120.570 0.026 0.000 2.472 494 I HA 0.330 4.500 4.170 0.001 0.000 0.305 494 I C 0.390 176.515 176.117 0.014 0.000 1.196 494 I CA 0.016 61.328 61.300 0.020 0.000 1.613 494 I CB -0.165 37.844 38.000 0.015 0.000 1.501 494 I HN 0.158 nan 8.210 nan 0.000 0.754 495 I N 5.942 126.521 120.570 0.014 0.000 2.785 495 I HA 0.429 4.600 4.170 0.001 0.000 0.302 495 I C -0.407 175.715 176.117 0.008 0.000 1.069 495 I CA -0.230 61.077 61.300 0.012 0.000 1.045 495 I CB 2.040 40.048 38.000 0.014 0.000 1.236 495 I HN 0.562 nan 8.210 nan 0.000 0.429 496 E N 5.564 125.768 120.200 0.007 0.000 2.408 496 E HA 0.631 4.982 4.350 0.001 0.000 0.275 496 E C -2.917 173.687 176.600 0.006 0.000 0.935 496 E CA -2.329 54.074 56.400 0.005 0.000 0.775 496 E CB 1.646 31.345 29.700 -0.001 0.000 1.277 496 E HN 0.128 nan 8.360 nan 0.000 0.455 497 P HA -0.025 nan 4.420 nan 0.000 0.269 497 P C 0.407 177.711 177.300 0.007 0.000 1.209 497 P CA -0.279 62.826 63.100 0.008 0.000 0.776 497 P CB 0.647 32.352 31.700 0.008 0.000 0.876 498 L N 2.789 124.018 121.223 0.010 0.000 2.056 498 L HA -0.160 4.180 4.340 0.001 0.000 0.207 498 L C 2.387 179.262 176.870 0.008 0.000 1.078 498 L CA 1.585 56.430 54.840 0.009 0.000 0.749 498 L CB -0.270 41.795 42.059 0.010 0.000 0.901 498 L HN 0.428 nan 8.230 nan 0.000 0.433 499 R N -0.632 119.874 120.500 0.009 0.000 2.105 499 R HA -0.175 4.166 4.340 0.001 0.000 0.239 499 R C 2.110 178.414 176.300 0.007 0.000 1.135 499 R CA 1.796 57.902 56.100 0.009 0.000 0.967 499 R CB -0.226 30.081 30.300 0.011 0.000 0.861 499 R HN 0.267 nan 8.270 nan 0.000 0.442 500 V N 1.194 121.111 119.914 0.005 0.000 2.282 500 V HA -0.282 3.838 4.120 0.001 0.000 0.249 500 V C 2.321 178.415 176.094 -0.001 0.000 1.057 500 V CA 2.142 64.442 62.300 0.001 0.000 1.032 500 V CB -0.451 31.371 31.823 -0.002 0.000 0.645 500 V HN 0.277 nan 8.190 nan 0.000 0.447 501 K N 0.079 120.479 120.400 -0.001 0.000 2.103 501 K HA -0.069 4.252 4.320 0.001 0.000 0.204 501 K C 2.105 178.708 176.600 0.005 0.000 1.052 501 K CA 1.193 57.479 56.287 -0.002 0.000 0.945 501 K CB -0.212 32.287 32.500 -0.002 0.000 0.722 501 K HN 0.341 nan 8.250 nan 0.000 0.443 502 K N 0.028 120.433 120.400 0.008 0.000 2.002 502 K HA -0.194 4.127 4.320 0.001 0.000 0.209 502 K C 2.171 178.779 176.600 0.014 0.000 1.048 502 K CA 1.580 57.874 56.287 0.011 0.000 0.930 502 K CB -0.201 32.305 32.500 0.009 0.000 0.714 502 K HN 0.128 nan 8.250 nan 0.000 0.438 503 Q N 0.944 120.750 119.800 0.011 0.000 2.170 503 Q HA -0.063 4.278 4.340 0.001 0.000 0.203 503 Q C 1.793 177.799 176.000 0.011 0.000 0.976 503 Q CA 1.603 57.413 55.803 0.012 0.000 0.858 503 Q CB -0.223 28.521 28.738 0.009 0.000 0.907 503 Q HN 0.320 nan 8.270 nan 0.000 0.433 504 A N 0.320 123.144 122.820 0.005 0.000 1.873 504 A HA -0.134 4.186 4.320 0.001 0.000 0.215 504 A C 1.916 179.503 177.584 0.004 0.000 1.186 504 A CA 1.485 53.521 52.037 -0.002 0.000 0.616 504 A CB -0.630 18.362 19.000 -0.013 0.000 0.823 504 A HN 0.438 nan 8.150 nan 0.000 0.442 505 I N 0.044 120.625 120.570 0.019 0.000 2.226 505 I HA -0.214 3.957 4.170 0.001 0.000 0.245 505 I C 2.253 178.414 176.117 0.074 0.000 1.100 505 I CA 1.535 62.868 61.300 0.055 0.000 1.374 505 I CB -1.292 36.764 38.000 0.094 0.000 1.057 505 I HN 0.380 nan 8.210 nan 0.000 0.413 506 K N 0.704 121.135 120.400 0.052 0.000 1.991 506 K HA -0.152 4.169 4.320 0.001 0.000 0.212 506 K C 2.328 178.957 176.600 0.048 0.000 1.049 506 K CA 1.948 58.264 56.287 0.049 0.000 0.932 506 K CB -0.250 32.269 32.500 0.031 0.000 0.717 506 K HN 0.142 nan 8.250 nan 0.000 0.441 507 S N 0.533 116.252 115.700 0.032 0.000 2.383 507 S HA -0.093 4.377 4.470 0.001 0.000 0.227 507 S C 2.052 176.669 174.600 0.028 0.000 1.026 507 S CA 1.051 59.267 58.200 0.028 0.000 0.981 507 S CB -0.159 63.051 63.200 0.016 0.000 0.818 507 S HN 0.431 nan 8.310 nan 0.000 0.472 508 A N 1.298 124.129 122.820 0.018 0.000 1.902 508 A HA -0.078 4.242 4.320 0.001 0.000 0.217 508 A C 2.338 179.939 177.584 0.029 0.000 1.181 508 A CA 1.911 53.947 52.037 -0.002 0.000 0.623 508 A CB -0.908 18.063 19.000 -0.049 0.000 0.818 508 A HN 0.445 nan 8.150 nan 0.000 0.443 509 S N -0.199 115.549 115.700 0.080 0.000 2.343 509 S HA -0.163 4.307 4.470 0.001 0.000 0.219 509 S C 1.878 176.568 174.600 0.150 0.000 1.033 509 S CA 1.541 59.840 58.200 0.166 0.000 1.014 509 S CB -0.393 62.944 63.200 0.227 0.000 0.915 509 S HN 0.701 nan 8.310 nan 0.000 0.435 510 E N 1.296 121.559 120.200 0.105 0.000 2.110 510 E HA -0.114 4.236 4.350 0.001 0.000 0.193 510 E C 2.313 178.960 176.600 0.078 0.000 0.988 510 E CA 0.991 57.443 56.400 0.087 0.000 0.804 510 E CB -0.250 29.487 29.700 0.061 0.000 0.745 510 E HN 0.500 nan 8.360 nan 0.000 0.458 511 A N 1.735 124.595 122.820 0.066 0.000 1.855 511 A HA -0.062 4.258 4.320 0.001 0.000 0.215 511 A C 2.462 180.088 177.584 0.071 0.000 1.191 511 A CA 1.581 53.651 52.037 0.055 0.000 0.613 511 A CB -0.730 18.293 19.000 0.038 0.000 0.829 511 A HN 0.282 nan 8.150 nan 0.000 0.442 512 A N 0.007 122.882 122.820 0.092 0.000 1.908 512 A HA -0.144 4.177 4.320 0.001 0.000 0.218 512 A C 2.128 179.804 177.584 0.152 0.000 1.181 512 A CA 1.704 53.817 52.037 0.128 0.000 0.627 512 A CB -0.678 18.424 19.000 0.170 0.000 0.818 512 A HN 0.526 nan 8.150 nan 0.000 0.445 513 I N -1.255 119.417 120.570 0.170 0.000 2.252 513 I HA -0.262 3.909 4.170 0.001 0.000 0.245 513 I C 2.703 178.868 176.117 0.079 0.000 1.102 513 I CA 1.807 63.189 61.300 0.137 0.000 1.385 513 I CB -0.325 37.764 38.000 0.148 0.000 1.064 513 I HN 0.501 nan 8.210 nan 0.000 0.414 514 M N 1.113 120.755 119.600 0.070 0.000 2.080 514 M HA -0.238 4.243 4.480 0.001 0.000 0.260 514 M C 2.298 178.623 176.300 0.041 0.000 1.068 514 M CA 2.078 57.407 55.300 0.049 0.000 1.109 514 M CB -0.110 32.517 32.600 0.044 0.000 1.342 514 M HN 0.095 nan 8.290 nan 0.000 0.405 515 I N -0.015 120.582 120.570 0.045 0.000 2.226 515 I HA -0.284 3.886 4.170 0.001 0.000 0.245 515 I C 2.098 178.231 176.117 0.027 0.000 1.100 515 I CA 0.793 62.115 61.300 0.037 0.000 1.374 515 I CB -0.459 37.565 38.000 0.041 0.000 1.057 515 I HN 0.332 nan 8.210 nan 0.000 0.413 516 L N 0.666 121.906 121.223 0.029 0.000 2.265 516 L HA -0.133 4.208 4.340 0.001 0.000 0.215 516 L C 2.323 179.188 176.870 -0.008 0.000 1.117 516 L CA 1.661 56.503 54.840 0.003 0.000 0.782 516 L CB -0.751 41.303 42.059 -0.008 0.000 0.914 516 L HN 0.119 nan 8.230 nan 0.000 0.441 517 R N -1.242 119.263 120.500 0.009 0.000 2.299 517 R HA 0.156 4.497 4.340 0.001 0.000 0.197 517 R C 0.272 176.576 176.300 0.007 0.000 0.971 517 R CA -0.021 56.085 56.100 0.009 0.000 1.030 517 R CB 0.052 30.367 30.300 0.024 0.000 0.932 517 R HN 0.246 nan 8.270 nan 0.000 0.477 518 I N 2.734 123.309 120.570 0.008 0.000 2.379 518 I HA -0.026 4.144 4.170 0.001 0.000 0.290 518 I C 0.425 176.546 176.117 0.006 0.000 1.063 518 I CA 0.117 61.425 61.300 0.012 0.000 1.351 518 I CB 0.877 38.888 38.000 0.019 0.000 1.410 518 I HN 0.104 nan 8.210 nan 0.000 0.505 519 D N 4.452 124.857 120.400 0.008 0.000 2.599 519 D HA 0.147 4.788 4.640 0.001 0.000 0.249 519 D C -0.462 175.853 176.300 0.026 0.000 1.313 519 D CA -0.110 53.894 54.000 0.006 0.000 0.815 519 D CB 0.484 41.276 40.800 -0.013 0.000 1.077 519 D HN 0.356 nan 8.370 nan 0.000 0.492 520 D N 0.069 120.492 120.400 0.038 0.000 2.614 520 D HA 0.203 4.844 4.640 0.001 0.000 0.203 520 D C -1.638 174.700 176.300 0.064 0.000 1.312 520 D CA -0.365 53.667 54.000 0.052 0.000 0.889 520 D CB 1.945 42.765 40.800 0.033 0.000 1.615 520 D HN -0.165 nan 8.370 nan 0.000 0.567 521 V N 4.888 124.867 119.914 0.109 0.000 2.448 521 V HA 0.587 4.708 4.120 0.001 0.000 0.295 521 V C 0.175 176.345 176.094 0.126 0.000 1.025 521 V CA -0.559 61.811 62.300 0.116 0.000 0.859 521 V CB 1.704 33.616 31.823 0.148 0.000 0.988 521 V HN 0.500 nan 8.190 nan 0.000 0.431 522 I N 4.378 124.990 120.570 0.069 0.000 2.476 522 I HA 0.668 4.838 4.170 0.001 0.000 0.281 522 I C 0.026 176.163 176.117 0.034 0.000 1.040 522 I CA -0.454 60.873 61.300 0.045 0.000 1.094 522 I CB 1.722 39.735 38.000 0.020 0.000 1.219 522 I HN 0.663 nan 8.210 nan 0.000 0.450 523 A N 5.080 127.926 122.820 0.043 0.000 2.303 523 A HA 0.884 5.205 4.320 0.001 0.000 0.320 523 A C -0.009 177.584 177.584 0.015 0.000 1.192 523 A CA -0.457 51.597 52.037 0.027 0.000 0.821 523 A CB 1.170 20.195 19.000 0.041 0.000 1.188 523 A HN 0.747 nan 8.150 nan 0.000 0.492 524 A N 2.269 125.093 122.820 0.006 0.000 2.304 524 A HA 0.542 4.862 4.320 0.001 0.000 0.271 524 A C 0.539 178.125 177.584 0.004 0.000 1.091 524 A CA -0.426 51.613 52.037 0.002 0.000 0.812 524 A CB 0.236 19.236 19.000 -0.000 0.000 1.056 524 A HN 0.886 nan 8.150 nan 0.000 0.489 525 K N 0.713 121.114 120.400 0.003 0.000 2.382 525 K HA 0.409 4.730 4.320 0.001 0.000 0.275 525 K C 0.392 176.994 176.600 0.003 0.000 1.009 525 K CA 0.205 56.494 56.287 0.004 0.000 0.970 525 K CB 0.478 32.979 32.500 0.002 0.000 0.934 525 K HN 0.800 nan 8.250 nan 0.000 0.479 526 A N 0.000 122.822 122.820 0.004 0.000 2.254 526 A HA 0.000 4.321 4.320 0.001 0.000 0.244 526 A CA 0.000 52.039 52.037 0.003 0.000 0.836 526 A CB 0.000 19.002 19.000 0.003 0.000 0.831 526 A HN 0.000 nan 8.150 nan 0.000 0.486