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 3oe8_1_C DATA FIRST_RESID 27 DATA SEQUENCE PcFXXXXXXF NKIFLPTIYS IIFLTGIVGN GLVILVMGYQ KKLRSMTDKY DATA SEQUENCE RLHLSVADLL FVITLPFWAV DAVANWYFGN FLcKAVHVIY TVNLYSSVWI DATA SEQUENCE LAFISLDRYL AIVHAXXXQR PRKLLAEKVV YVGVWIPALL LTIPDFIFAN DATA SEQUENCE VSEAXXRYIc DRFYPNDLWV VVFQFQHIMV GLILPGIVIL SCYCIIISKL DATA SEQUENCE SXXKGHQKRK ALKTTVILIL AFFACWLPYY IGISIDSFIL LEIIKQGcEF DATA SEQUENCE ENTVHKWISI TEALAFFHCC LNPILYAFLX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXNIFEM LRIDEGLRLK IYKDTEGYYT DATA SEQUENCE IGIGHLLTKS PSLNAAKSEL DKAIGRNTNG VITKDEAEKL FNQDVDAAVR DATA SEQUENCE GILRNAKLKP VYDSLDAVRR AALINMVFQM GETGVAGFTN SLRMLQQKRW DATA SEQUENCE DEAAVNLAKS RWYNQTPNRA KRVITTFRTG TWDAYXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXGS 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 27 P HA 0.000 nan 4.420 nan 0.000 0.216 27 P C 0.000 177.200 177.300 -0.167 0.000 1.155 27 P CA 0.000 63.024 63.100 -0.127 0.000 0.800 27 P CB 0.000 31.603 31.700 -0.161 0.000 0.726 28 c N 2.747 121.296 118.600 -0.085 0.000 2.373 28 c HA 0.497 5.067 4.570 -0.000 0.000 0.354 28 c C 1.024 175.088 174.090 -0.043 0.000 1.249 28 c CA -0.327 56.004 56.329 0.002 0.000 1.784 28 c CB -1.431 41.120 42.510 0.068 0.000 2.408 28 c HN 0.440 nan 8.230 nan 0.000 0.542 37 N N 1.360 120.122 118.700 0.104 0.000 2.381 37 N HA -0.026 4.714 4.740 -0.000 0.000 0.182 37 N C 1.231 176.759 175.510 0.030 0.000 1.025 37 N CA 1.078 54.161 53.050 0.055 0.000 0.888 37 N CB -0.129 38.399 38.487 0.069 0.000 0.965 37 N HN 0.351 nan 8.380 nan 0.000 0.438 38 K N -0.337 120.081 120.400 0.030 0.000 2.439 38 K HA -0.006 4.314 4.320 -0.000 0.000 0.197 38 K C 1.190 177.790 176.600 0.001 0.000 1.041 38 K CA 0.603 56.914 56.287 0.040 0.000 0.970 38 K CB 0.271 32.800 32.500 0.048 0.000 0.773 38 K HN 0.227 nan 8.250 nan 0.000 0.479 39 I N -1.589 118.935 120.570 -0.076 0.000 3.812 39 I HA 0.021 4.191 4.170 -0.000 0.000 0.292 39 I C 1.537 177.546 176.117 -0.180 0.000 1.206 39 I CA 0.192 61.419 61.300 -0.122 0.000 1.370 39 I CB 0.180 38.097 38.000 -0.139 0.000 1.328 39 I HN -0.098 nan 8.210 nan 0.000 0.453 40 F N 1.071 120.737 119.950 -0.473 0.000 2.163 40 F HA -0.022 4.505 4.527 -0.000 0.000 0.297 40 F C 1.947 177.557 175.800 -0.315 0.000 1.094 40 F CA 1.761 59.476 58.000 -0.475 0.000 1.290 40 F CB -0.108 38.472 39.000 -0.700 0.000 1.017 40 F HN -0.031 nan 8.300 nan 0.000 0.483 41 L N 1.006 122.134 121.223 -0.159 0.000 2.017 41 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 41 L C -0.451 176.140 176.870 -0.465 0.000 1.073 41 L CA 1.249 55.865 54.840 -0.374 0.000 0.745 41 L CB -2.299 39.643 42.059 -0.195 0.000 0.894 41 L HN 0.093 nan 8.230 nan 0.000 0.432 42 P HA -0.113 nan 4.420 nan 0.000 0.225 42 P C 1.314 178.585 177.300 -0.049 0.000 1.148 42 P CA 1.297 64.451 63.100 0.090 0.000 0.779 42 P CB -0.145 31.619 31.700 0.107 0.000 0.780 43 T N 0.278 114.705 114.554 -0.212 0.000 2.812 43 T HA -0.008 4.342 4.350 -0.000 0.000 0.264 43 T C 1.967 176.512 174.700 -0.259 0.000 1.042 43 T CA 0.940 62.895 62.100 -0.243 0.000 1.140 43 T CB -0.612 68.038 68.868 -0.363 0.000 0.870 43 T HN 0.102 nan 8.240 nan 0.000 0.445 44 I N -0.090 120.233 120.570 -0.412 0.000 2.353 44 I HA -0.120 4.050 4.170 -0.000 0.000 0.248 44 I C 2.151 178.203 176.117 -0.107 0.000 1.119 44 I CA 1.174 62.273 61.300 -0.335 0.000 1.417 44 I CB -0.376 37.336 38.000 -0.480 0.000 1.078 44 I HN 0.172 nan 8.210 nan 0.000 0.421 45 Y N 1.029 121.310 120.300 -0.031 0.000 2.181 45 Y HA -0.197 4.353 4.550 -0.000 0.000 0.288 45 Y C 2.945 178.862 175.900 0.027 0.000 1.146 45 Y CA 0.941 59.049 58.100 0.014 0.000 1.164 45 Y CB -1.118 37.358 38.460 0.027 0.000 0.982 45 Y HN 0.101 nan 8.280 nan 0.000 0.515 46 S N 0.046 115.838 115.700 0.153 0.000 2.355 46 S HA -0.134 4.336 4.470 -0.000 0.000 0.222 46 S C 2.158 176.853 174.600 0.159 0.000 1.031 46 S CA 1.320 59.605 58.200 0.142 0.000 0.993 46 S CB -0.558 62.681 63.200 0.064 0.000 0.859 46 S HN 0.346 nan 8.310 nan 0.000 0.453 47 I N 0.975 121.594 120.570 0.081 0.000 2.163 47 I HA -0.191 3.979 4.170 -0.000 0.000 0.243 47 I C 1.926 178.112 176.117 0.115 0.000 1.085 47 I CA 1.214 62.560 61.300 0.076 0.000 1.347 47 I CB -0.349 37.671 38.000 0.032 0.000 1.044 47 I HN 0.201 nan 8.210 nan 0.000 0.408 48 I N -0.094 120.564 120.570 0.148 0.000 2.493 48 I HA -0.270 3.900 4.170 -0.000 0.000 0.254 48 I C 2.175 178.347 176.117 0.092 0.000 1.160 48 I CA 1.365 62.749 61.300 0.140 0.000 1.445 48 I CB -0.435 37.690 38.000 0.208 0.000 1.086 48 I HN 0.155 nan 8.210 nan 0.000 0.433 49 F N 0.814 120.754 119.950 -0.017 0.000 2.098 49 F HA -0.169 4.358 4.527 -0.000 0.000 0.294 49 F C 2.160 177.929 175.800 -0.052 0.000 1.107 49 F CA 1.665 59.628 58.000 -0.063 0.000 1.234 49 F CB -0.220 38.736 39.000 -0.074 0.000 1.002 49 F HN -0.121 nan 8.300 nan 0.000 0.472 50 L N 0.011 121.125 121.223 -0.181 0.000 2.017 50 L HA -0.222 4.118 4.340 -0.000 0.000 0.208 50 L C 2.353 179.087 176.870 -0.227 0.000 1.073 50 L CA 1.890 56.564 54.840 -0.276 0.000 0.745 50 L CB -1.333 40.693 42.059 -0.054 0.000 0.894 50 L HN 0.195 nan 8.230 nan 0.000 0.432 51 T N -0.465 114.013 114.554 -0.126 0.000 2.821 51 T HA -0.075 4.275 4.350 -0.000 0.000 0.267 51 T C 1.860 176.463 174.700 -0.162 0.000 1.046 51 T CA 1.154 63.185 62.100 -0.116 0.000 1.139 51 T CB -0.527 68.300 68.868 -0.069 0.000 0.871 51 T HN 0.543 nan 8.240 nan 0.000 0.454 52 G N 1.844 110.537 108.800 -0.177 0.000 2.434 52 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.214 52 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.214 52 G C 1.506 176.299 174.900 -0.180 0.000 1.202 52 G CA 0.236 45.239 45.100 -0.162 0.000 0.788 52 G HN 0.348 nan 8.290 nan 0.000 0.539 53 I N 0.959 121.350 120.570 -0.299 0.000 2.151 53 I HA -0.161 4.008 4.170 -0.000 0.000 0.243 53 I C 2.884 178.876 176.117 -0.210 0.000 1.080 53 I CA 1.268 62.386 61.300 -0.304 0.000 1.339 53 I CB -0.540 37.118 38.000 -0.570 0.000 1.039 53 I HN 0.074 nan 8.210 nan 0.000 0.409 54 V N 1.025 120.810 119.914 -0.215 0.000 2.270 54 V HA -0.187 3.933 4.120 -0.000 0.000 0.245 54 V C 2.662 178.694 176.094 -0.104 0.000 1.043 54 V CA 1.914 64.127 62.300 -0.145 0.000 1.014 54 V CB -1.502 30.240 31.823 -0.135 0.000 0.645 54 V HN 0.558 nan 8.190 nan 0.000 0.447 55 G N 0.516 109.255 108.800 -0.101 0.000 2.480 55 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.216 55 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.216 55 G C 1.409 176.279 174.900 -0.049 0.000 1.200 55 G CA 1.045 46.105 45.100 -0.068 0.000 0.782 55 G HN 0.525 nan 8.290 nan 0.000 0.554 56 N N 1.266 119.936 118.700 -0.050 0.000 2.188 56 N HA -0.094 4.646 4.740 -0.000 0.000 0.184 56 N C 2.363 177.853 175.510 -0.033 0.000 1.018 56 N CA 1.274 54.311 53.050 -0.022 0.000 0.858 56 N CB -0.720 37.762 38.487 -0.008 0.000 0.989 56 N HN 0.336 nan 8.380 nan 0.000 0.426 57 G N 1.595 110.362 108.800 -0.054 0.000 2.440 57 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.218 57 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.218 57 G C 1.749 176.617 174.900 -0.053 0.000 1.154 57 G CA 0.354 45.422 45.100 -0.053 0.000 0.767 57 G HN 0.202 nan 8.290 nan 0.000 0.552 58 L N 0.031 121.217 121.223 -0.062 0.000 2.027 58 L HA -0.059 4.281 4.340 -0.000 0.000 0.206 58 L C 3.041 179.856 176.870 -0.091 0.000 1.074 58 L CA 0.450 55.248 54.840 -0.069 0.000 0.745 58 L CB -0.345 41.672 42.059 -0.070 0.000 0.898 58 L HN 0.096 nan 8.230 nan 0.000 0.433 59 V N -0.025 119.830 119.914 -0.098 0.000 2.287 59 V HA -0.320 3.800 4.120 -0.000 0.000 0.248 59 V C 2.281 178.317 176.094 -0.097 0.000 1.053 59 V CA 1.973 64.186 62.300 -0.145 0.000 1.027 59 V CB -0.334 31.442 31.823 -0.079 0.000 0.646 59 V HN 0.287 nan 8.190 nan 0.000 0.447 60 I N -0.941 119.598 120.570 -0.051 0.000 2.252 60 I HA -0.217 3.953 4.170 -0.000 0.000 0.245 60 I C 2.215 178.314 176.117 -0.029 0.000 1.102 60 I CA 1.355 62.635 61.300 -0.033 0.000 1.385 60 I CB -0.245 37.743 38.000 -0.021 0.000 1.064 60 I HN 0.256 nan 8.210 nan 0.000 0.414 61 L N -0.580 120.623 121.223 -0.033 0.000 2.072 61 L HA -0.104 4.236 4.340 -0.000 0.000 0.205 61 L C 2.247 179.117 176.870 -0.000 0.000 1.079 61 L CA 1.618 56.448 54.840 -0.017 0.000 0.752 61 L CB -0.212 41.832 42.059 -0.025 0.000 0.906 61 L HN -0.023 nan 8.230 nan 0.000 0.436 62 V N -0.975 118.915 119.914 -0.040 0.000 2.256 62 V HA -0.216 3.904 4.120 -0.000 0.000 0.240 62 V C 2.278 178.333 176.094 -0.065 0.000 1.036 62 V CA 1.771 64.039 62.300 -0.054 0.000 1.008 62 V CB -0.330 31.431 31.823 -0.102 0.000 0.648 62 V HN 0.345 nan 8.190 nan 0.000 0.453 63 M N 0.909 120.441 119.600 -0.113 0.000 2.630 63 M HA 0.076 4.556 4.480 -0.000 0.000 0.254 63 M C 1.831 178.110 176.300 -0.034 0.000 1.092 63 M CA 1.153 56.394 55.300 -0.097 0.000 1.087 63 M CB -0.782 31.729 32.600 -0.149 0.000 1.453 63 M HN 0.356 nan 8.290 nan 0.000 0.509 64 G N -1.647 107.150 108.800 -0.006 0.000 2.430 64 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.216 64 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.216 64 G C 0.310 175.274 174.900 0.107 0.000 1.146 64 G CA 0.181 45.299 45.100 0.030 0.000 0.793 64 G HN 0.478 nan 8.290 nan 0.000 0.537 65 Y N 0.678 120.952 120.300 -0.043 0.000 2.553 65 Y HA 0.496 5.046 4.550 -0.000 0.000 0.369 65 Y C 0.283 176.164 175.900 -0.032 0.000 0.964 65 Y CA -1.342 56.737 58.100 -0.034 0.000 1.156 65 Y CB 0.179 38.620 38.460 -0.032 0.000 1.218 65 Y HN 0.182 nan 8.280 nan 0.000 0.630 66 Q N 2.181 121.869 119.800 -0.185 0.000 2.805 66 Q HA 0.239 4.579 4.340 -0.000 0.000 0.360 66 Q C -0.071 175.831 176.000 -0.163 0.000 0.832 66 Q CA -0.262 55.413 55.803 -0.213 0.000 1.020 66 Q CB 0.459 29.125 28.738 -0.121 0.000 1.444 66 Q HN 0.418 nan 8.270 nan 0.000 0.391 67 K N 0.098 120.376 120.400 -0.204 0.000 2.585 67 K HA -0.136 4.184 4.320 -0.000 0.000 0.194 67 K C 1.820 178.373 176.600 -0.079 0.000 1.037 67 K CA 1.226 57.446 56.287 -0.113 0.000 0.964 67 K CB 0.147 32.595 32.500 -0.087 0.000 0.787 67 K HN 0.442 nan 8.250 nan 0.000 0.488 68 K N 0.802 121.149 120.400 -0.089 0.000 2.078 68 K HA 0.025 4.344 4.320 -0.000 0.000 0.203 68 K C 1.584 178.166 176.600 -0.029 0.000 1.043 68 K CA 0.869 57.121 56.287 -0.057 0.000 0.960 68 K CB -0.420 32.042 32.500 -0.063 0.000 0.761 68 K HN 0.111 nan 8.250 nan 0.000 0.448 69 L N 0.758 121.966 121.223 -0.024 0.000 2.818 69 L HA 0.344 4.684 4.340 -0.000 0.000 0.243 69 L C 1.288 178.166 176.870 0.015 0.000 1.185 69 L CA -0.339 54.502 54.840 0.001 0.000 0.988 69 L CB -0.114 41.951 42.059 0.009 0.000 1.292 69 L HN 0.292 nan 8.230 nan 0.000 0.519 70 R N 1.097 121.600 120.500 0.005 0.000 2.494 70 R HA 0.364 4.703 4.340 -0.000 0.000 0.291 70 R C 0.332 176.653 176.300 0.035 0.000 0.953 70 R CA 0.908 57.020 56.100 0.019 0.000 1.098 70 R CB -0.439 29.865 30.300 0.007 0.000 0.911 70 R HN 0.343 nan 8.270 nan 0.000 0.407 71 S N 2.116 117.851 115.700 0.058 0.000 2.568 71 S HA 0.518 4.987 4.470 -0.000 0.000 0.302 71 S C 1.294 175.944 174.600 0.083 0.000 1.082 71 S CA -0.837 57.404 58.200 0.069 0.000 1.009 71 S CB 1.275 64.525 63.200 0.083 0.000 1.069 71 S HN 0.584 nan 8.310 nan 0.000 0.500 72 M N 2.442 122.096 119.600 0.090 0.000 2.117 72 M HA -0.069 4.410 4.480 -0.000 0.000 0.262 72 M C 1.932 178.366 176.300 0.224 0.000 1.065 72 M CA 1.837 57.208 55.300 0.118 0.000 1.114 72 M CB -1.946 30.740 32.600 0.143 0.000 1.361 72 M HN 0.807 nan 8.290 nan 0.000 0.408 73 T N 0.189 114.878 114.554 0.226 0.000 2.821 73 T HA -0.126 4.224 4.350 -0.000 0.000 0.267 73 T C 1.270 176.128 174.700 0.263 0.000 1.046 73 T CA 1.388 63.646 62.100 0.263 0.000 1.139 73 T CB -0.330 68.623 68.868 0.142 0.000 0.871 73 T HN 0.296 nan 8.240 nan 0.000 0.454 74 D N 0.881 121.408 120.400 0.212 0.000 2.219 74 D HA -0.029 4.610 4.640 -0.000 0.000 0.205 74 D C 2.087 178.502 176.300 0.191 0.000 0.970 74 D CA 0.849 54.993 54.000 0.240 0.000 0.851 74 D CB -0.182 40.747 40.800 0.216 0.000 0.943 74 D HN 0.253 nan 8.370 nan 0.000 0.488 75 K N 0.100 120.575 120.400 0.125 0.000 2.025 75 K HA -0.130 4.190 4.320 -0.000 0.000 0.207 75 K C 1.793 178.469 176.600 0.126 0.000 1.049 75 K CA 1.133 57.447 56.287 0.044 0.000 0.933 75 K CB -0.426 32.013 32.500 -0.102 0.000 0.714 75 K HN 0.180 nan 8.250 nan 0.000 0.438 76 Y N -0.020 120.403 120.300 0.205 0.000 2.337 76 Y HA 0.059 4.609 4.550 -0.000 0.000 0.293 76 Y C 2.047 178.081 175.900 0.224 0.000 1.123 76 Y CA 0.915 59.136 58.100 0.201 0.000 1.201 76 Y CB -0.037 38.485 38.460 0.104 0.000 1.011 76 Y HN -0.040 nan 8.280 nan 0.000 0.545 77 R N -0.064 120.644 120.500 0.347 0.000 2.241 77 R HA -0.134 4.206 4.340 -0.000 0.000 0.224 77 R C 2.024 178.479 176.300 0.258 0.000 1.101 77 R CA 0.979 57.248 56.100 0.283 0.000 0.995 77 R CB -0.354 30.125 30.300 0.298 0.000 0.870 77 R HN 0.369 nan 8.270 nan 0.000 0.463 78 L N -0.692 120.665 121.223 0.224 0.000 2.095 78 L HA -0.092 4.248 4.340 -0.000 0.000 0.204 78 L C 1.718 178.666 176.870 0.130 0.000 1.080 78 L CA 1.444 56.358 54.840 0.123 0.000 0.759 78 L CB -0.061 42.020 42.059 0.038 0.000 0.914 78 L HN 0.144 nan 8.230 nan 0.000 0.439 79 H N -1.101 118.085 119.070 0.195 0.000 2.321 79 H HA -0.226 4.330 4.556 -0.000 0.000 0.300 79 H C 1.884 177.406 175.328 0.323 0.000 1.087 79 H CA 2.208 58.441 56.048 0.308 0.000 1.319 79 H CB -0.228 29.736 29.762 0.336 0.000 1.379 79 H HN 0.232 nan 8.280 nan 0.000 0.501 80 L N -0.359 121.072 121.223 0.347 0.000 2.043 80 L HA -0.210 4.130 4.340 -0.000 0.000 0.212 80 L C 2.386 179.377 176.870 0.201 0.000 1.075 80 L CA 1.811 56.784 54.840 0.221 0.000 0.752 80 L CB -0.798 41.360 42.059 0.165 0.000 0.891 80 L HN 0.146 nan 8.230 nan 0.000 0.432 81 S N -1.587 114.225 115.700 0.187 0.000 2.368 81 S HA -0.120 4.350 4.470 -0.000 0.000 0.224 81 S C 1.897 176.581 174.600 0.140 0.000 1.029 81 S CA 1.225 59.508 58.200 0.138 0.000 0.988 81 S CB -0.276 62.990 63.200 0.111 0.000 0.838 81 S HN 0.336 nan 8.310 nan 0.000 0.462 82 V N 1.892 121.907 119.914 0.169 0.000 2.343 82 V HA -0.150 3.970 4.120 -0.000 0.000 0.247 82 V C 2.672 178.927 176.094 0.268 0.000 1.051 82 V CA 1.736 64.136 62.300 0.166 0.000 1.036 82 V CB -1.138 30.747 31.823 0.104 0.000 0.654 82 V HN 0.561 nan 8.190 nan 0.000 0.451 83 A N -0.167 122.890 122.820 0.395 0.000 1.933 83 A HA -0.221 4.098 4.320 -0.000 0.000 0.218 83 A C 1.929 179.663 177.584 0.250 0.000 1.175 83 A CA 2.000 54.279 52.037 0.402 0.000 0.628 83 A CB -0.468 18.691 19.000 0.264 0.000 0.814 83 A HN 0.557 nan 8.150 nan 0.000 0.444 84 D N -0.869 119.644 120.400 0.188 0.000 2.249 84 D HA -0.013 4.627 4.640 -0.000 0.000 0.205 84 D C 1.736 178.121 176.300 0.143 0.000 0.962 84 D CA 0.582 54.667 54.000 0.141 0.000 0.860 84 D CB -0.171 40.669 40.800 0.066 0.000 0.955 84 D HN 0.362 nan 8.370 nan 0.000 0.505 85 L N 0.473 121.769 121.223 0.121 0.000 2.109 85 L HA -0.001 4.339 4.340 -0.000 0.000 0.207 85 L C 1.931 178.866 176.870 0.108 0.000 1.086 85 L CA 0.997 55.885 54.840 0.080 0.000 0.760 85 L CB -0.365 41.726 42.059 0.053 0.000 0.910 85 L HN -0.050 nan 8.230 nan 0.000 0.437 86 L N -1.402 119.918 121.223 0.161 0.000 2.083 86 L HA -0.180 4.160 4.340 -0.000 0.000 0.209 86 L C 2.205 179.193 176.870 0.197 0.000 1.083 86 L CA 1.800 56.746 54.840 0.178 0.000 0.752 86 L CB -0.637 41.556 42.059 0.223 0.000 0.899 86 L HN 0.381 nan 8.230 nan 0.000 0.433 87 F N -0.650 119.336 119.950 0.059 0.000 2.149 87 F HA -0.107 4.420 4.527 -0.000 0.000 0.294 87 F C 2.284 178.061 175.800 -0.039 0.000 1.095 87 F CA 1.611 59.614 58.000 0.005 0.000 1.276 87 F CB -0.307 38.660 39.000 -0.055 0.000 1.023 87 F HN -0.015 nan 8.300 nan 0.000 0.480 88 V N -0.738 119.136 119.914 -0.067 0.000 2.568 88 V HA -0.244 3.876 4.120 -0.000 0.000 0.253 88 V C 2.074 178.181 176.094 0.023 0.000 1.072 88 V CA 1.846 64.079 62.300 -0.111 0.000 1.084 88 V CB -1.264 30.543 31.823 -0.027 0.000 0.676 88 V HN 0.408 nan 8.190 nan 0.000 0.469 89 I N 2.226 122.822 120.570 0.043 0.000 2.493 89 I HA -0.142 4.028 4.170 -0.000 0.000 0.254 89 I C 2.630 178.779 176.117 0.053 0.000 1.160 89 I CA 1.976 63.343 61.300 0.112 0.000 1.445 89 I CB -0.284 37.782 38.000 0.110 0.000 1.086 89 I HN 0.643 nan 8.210 nan 0.000 0.433 90 T N -2.683 111.875 114.554 0.007 0.000 3.081 90 T HA 0.065 4.415 4.350 -0.000 0.000 0.255 90 T C 1.834 176.602 174.700 0.114 0.000 1.113 90 T CA 0.250 62.471 62.100 0.202 0.000 1.082 90 T CB -0.428 68.546 68.868 0.175 0.000 0.939 90 T HN 0.226 nan 8.240 nan 0.000 0.506 91 L N 1.060 122.119 121.223 -0.274 0.000 2.079 91 L HA 0.032 4.372 4.340 -0.000 0.000 0.210 91 L C -0.466 176.222 176.870 -0.303 0.000 1.081 91 L CA 1.229 55.837 54.840 -0.386 0.000 0.752 91 L CB -1.330 40.484 42.059 -0.408 0.000 0.896 91 L HN 0.233 nan 8.230 nan 0.000 0.433 92 P HA -0.177 nan 4.420 nan 0.000 0.219 92 P C 1.286 178.329 177.300 -0.428 0.000 1.146 92 P CA 1.467 64.213 63.100 -0.589 0.000 0.808 92 P CB -0.039 31.159 31.700 -0.837 0.000 0.779 93 F N -2.923 116.863 119.950 -0.273 0.000 2.163 93 F HA -0.052 4.475 4.527 -0.000 0.000 0.297 93 F C 2.119 177.933 175.800 0.023 0.000 1.094 93 F CA 0.752 58.542 58.000 -0.350 0.000 1.290 93 F CB -1.543 37.155 39.000 -0.504 0.000 1.017 93 F HN -0.092 nan 8.300 nan 0.000 0.483 94 W N 0.561 121.829 121.300 -0.052 0.000 2.358 94 W HA -0.104 4.556 4.660 0.000 0.000 0.303 94 W C 2.642 179.062 176.519 -0.165 0.000 1.208 94 W CA 1.851 59.062 57.345 -0.223 0.000 1.274 94 W CB -1.052 27.982 29.460 -0.709 0.000 1.138 94 W HN -0.044 nan 8.180 nan 0.000 0.515 95 A N -0.261 122.619 122.820 0.100 0.000 1.873 95 A HA -0.151 4.169 4.320 -0.000 0.000 0.215 95 A C 2.061 179.765 177.584 0.200 0.000 1.186 95 A CA 2.167 54.337 52.037 0.221 0.000 0.616 95 A CB -1.189 17.883 19.000 0.120 0.000 0.823 95 A HN 0.061 nan 8.150 nan 0.000 0.442 96 V N 1.007 121.027 119.914 0.176 0.000 2.255 96 V HA -0.300 3.820 4.120 -0.000 0.000 0.247 96 V C 2.478 178.723 176.094 0.251 0.000 1.051 96 V CA 2.417 64.855 62.300 0.229 0.000 1.018 96 V CB -0.792 31.236 31.823 0.343 0.000 0.641 96 V HN 0.759 nan 8.190 nan 0.000 0.445 97 D N 0.329 120.926 120.400 0.328 0.000 2.116 97 D HA -0.245 4.395 4.640 -0.000 0.000 0.193 97 D C 2.129 178.555 176.300 0.210 0.000 0.998 97 D CA 2.004 56.198 54.000 0.324 0.000 0.836 97 D CB 0.113 41.172 40.800 0.432 0.000 0.951 97 D HN 0.409 nan 8.370 nan 0.000 0.449 98 A N 0.256 123.210 122.820 0.223 0.000 1.940 98 A HA -0.132 4.188 4.320 -0.000 0.000 0.219 98 A C 2.554 180.227 177.584 0.147 0.000 1.176 98 A CA 2.157 54.317 52.037 0.206 0.000 0.631 98 A CB -0.516 18.665 19.000 0.302 0.000 0.814 98 A HN 0.292 nan 8.150 nan 0.000 0.446 99 V N -2.016 117.981 119.914 0.138 0.000 2.436 99 V HA 0.421 4.541 4.120 -0.000 0.000 0.240 99 V C 1.359 177.504 176.094 0.086 0.000 1.040 99 V CA 1.033 63.393 62.300 0.099 0.000 1.052 99 V CB -1.208 30.668 31.823 0.087 0.000 0.707 99 V HN 0.672 nan 8.190 nan 0.000 0.469 100 A N -0.038 122.841 122.820 0.098 0.000 2.470 100 A HA 0.670 4.990 4.320 -0.000 0.000 0.271 100 A C -0.434 177.152 177.584 0.003 0.000 1.269 100 A CA -0.514 51.565 52.037 0.070 0.000 0.828 100 A CB 0.836 19.931 19.000 0.159 0.000 1.374 100 A HN 0.310 nan 8.150 nan 0.000 0.454 101 N N -0.663 117.914 118.700 -0.205 0.000 2.364 101 N HA 0.113 4.853 4.740 -0.000 0.000 0.264 101 N C -0.602 174.665 175.510 -0.406 0.000 1.263 101 N CA -0.305 52.550 53.050 -0.325 0.000 0.959 101 N CB 0.442 38.576 38.487 -0.588 0.000 1.204 101 N HN 0.626 nan 8.380 nan 0.000 0.550 102 W N 2.944 124.060 121.300 -0.307 0.000 2.422 102 W HA 0.183 4.842 4.660 -0.000 0.000 0.349 102 W C -0.649 175.639 176.519 -0.386 0.000 1.062 102 W CA -0.434 56.784 57.345 -0.212 0.000 1.497 102 W CB -0.213 29.243 29.460 -0.007 0.000 1.407 102 W HN 0.744 nan 8.180 nan 0.000 0.393 103 Y N 3.236 122.957 120.300 -0.965 0.000 2.448 103 Y HA -0.093 4.457 4.550 -0.000 0.000 0.289 103 Y C 1.859 177.250 175.900 -0.849 0.000 1.114 103 Y CA 0.746 58.354 58.100 -0.820 0.000 1.235 103 Y CB -0.410 37.554 38.460 -0.827 0.000 1.045 103 Y HN 0.242 nan 8.280 nan 0.000 0.554 104 F N 0.472 120.054 119.950 -0.613 0.000 2.449 104 F HA 0.103 4.630 4.527 -0.000 0.000 0.299 104 F C 1.703 177.488 175.800 -0.025 0.000 1.092 104 F CA 0.611 58.353 58.000 -0.429 0.000 1.446 104 F CB -1.082 37.483 39.000 -0.725 0.000 1.084 104 F HN 0.071 nan 8.300 nan 0.000 0.567 105 G N 0.694 109.613 108.800 0.199 0.000 2.741 105 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.222 105 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.222 105 G C 0.253 175.384 174.900 0.386 0.000 1.364 105 G CA 0.113 45.364 45.100 0.252 0.000 0.866 105 G HN 0.247 nan 8.290 nan 0.000 0.555 106 N N -1.111 117.705 118.700 0.194 0.000 2.142 106 N HA 0.026 4.766 4.740 -0.000 0.000 0.186 106 N C 2.110 177.712 175.510 0.152 0.000 1.023 106 N CA 2.343 55.469 53.050 0.127 0.000 0.852 106 N CB -0.211 38.323 38.487 0.078 0.000 0.998 106 N HN 0.558 nan 8.380 nan 0.000 0.424 107 F N 0.620 120.625 119.950 0.092 0.000 2.051 107 F HA -0.125 4.402 4.527 -0.000 0.000 0.296 107 F C 1.722 177.583 175.800 0.102 0.000 1.122 107 F CA 1.096 59.149 58.000 0.087 0.000 1.201 107 F CB -0.225 38.818 39.000 0.071 0.000 0.978 107 F HN -0.012 nan 8.300 nan 0.000 0.472 108 L N 0.235 121.447 121.223 -0.019 0.000 2.191 108 L HA -0.246 4.093 4.340 -0.000 0.000 0.212 108 L C 2.852 179.711 176.870 -0.018 0.000 1.103 108 L CA 1.464 56.222 54.840 -0.136 0.000 0.769 108 L CB -2.234 39.821 42.059 -0.007 0.000 0.908 108 L HN 0.544 nan 8.230 nan 0.000 0.438 109 c N 0.312 118.982 118.600 0.116 0.000 2.429 109 c HA -0.193 4.377 4.570 -0.000 0.000 0.277 109 c C 2.841 176.808 174.090 -0.206 0.000 1.262 109 c CA 0.841 57.050 56.329 -0.199 0.000 1.733 109 c CB -0.473 41.822 42.510 -0.358 0.000 2.010 109 c HN 0.465 nan 8.230 nan 0.000 0.483 110 K N 0.649 120.920 120.400 -0.215 0.000 2.062 110 K HA 0.003 4.323 4.320 -0.000 0.000 0.205 110 K C 2.366 178.814 176.600 -0.253 0.000 1.051 110 K CA 1.398 57.555 56.287 -0.216 0.000 0.941 110 K CB -0.377 32.075 32.500 -0.080 0.000 0.719 110 K HN 0.528 nan 8.250 nan 0.000 0.440 111 A N 1.603 124.221 122.820 -0.336 0.000 1.902 111 A HA -0.151 4.168 4.320 -0.000 0.000 0.217 111 A C 2.444 179.932 177.584 -0.161 0.000 1.181 111 A CA 1.995 53.853 52.037 -0.299 0.000 0.623 111 A CB -0.949 17.780 19.000 -0.451 0.000 0.818 111 A HN 0.205 nan 8.150 nan 0.000 0.443 112 V N -2.946 116.874 119.914 -0.158 0.000 2.515 112 V HA -0.222 3.898 4.120 -0.000 0.000 0.250 112 V C 2.167 178.248 176.094 -0.022 0.000 1.058 112 V CA 2.493 64.746 62.300 -0.078 0.000 1.064 112 V CB -1.452 30.279 31.823 -0.154 0.000 0.675 112 V HN 0.597 nan 8.190 nan 0.000 0.461 113 H N 1.258 120.238 119.070 -0.149 0.000 2.363 113 H HA -0.013 4.543 4.556 -0.000 0.000 0.301 113 H C 2.426 177.745 175.328 -0.015 0.000 1.074 113 H CA 2.422 58.418 56.048 -0.086 0.000 1.354 113 H CB -0.269 29.370 29.762 -0.205 0.000 1.397 113 H HN 0.487 nan 8.280 nan 0.000 0.516 114 V N -1.001 118.870 119.914 -0.072 0.000 2.307 114 V HA -0.174 3.946 4.120 -0.000 0.000 0.245 114 V C 2.166 178.277 176.094 0.028 0.000 1.045 114 V CA 1.766 63.963 62.300 -0.172 0.000 1.024 114 V CB -0.828 30.628 31.823 -0.611 0.000 0.651 114 V HN 0.328 nan 8.190 nan 0.000 0.449 115 I N -0.459 120.171 120.570 0.100 0.000 2.208 115 I HA -0.217 3.953 4.170 -0.000 0.000 0.245 115 I C 2.598 178.906 176.117 0.318 0.000 1.097 115 I CA 2.482 63.910 61.300 0.214 0.000 1.363 115 I CB -0.496 37.633 38.000 0.215 0.000 1.051 115 I HN 0.464 nan 8.210 nan 0.000 0.413 116 Y N 1.535 121.989 120.300 0.257 0.000 2.224 116 Y HA -0.264 4.286 4.550 -0.000 0.000 0.289 116 Y C 2.585 178.523 175.900 0.063 0.000 1.146 116 Y CA 2.064 60.325 58.100 0.268 0.000 1.182 116 Y CB -0.623 38.076 38.460 0.398 0.000 0.983 116 Y HN 0.062 nan 8.280 nan 0.000 0.524 117 T N -0.329 114.224 114.554 -0.001 0.000 2.770 117 T HA -0.140 4.210 4.350 -0.000 0.000 0.263 117 T C 2.096 176.802 174.700 0.010 0.000 1.039 117 T CA 1.582 63.641 62.100 -0.068 0.000 1.142 117 T CB -0.744 68.194 68.868 0.117 0.000 0.868 117 T HN 0.189 nan 8.240 nan 0.000 0.435 118 V N 3.099 123.066 119.914 0.088 0.000 2.255 118 V HA -0.220 3.900 4.120 -0.000 0.000 0.247 118 V C 2.620 178.725 176.094 0.018 0.000 1.051 118 V CA 1.833 64.203 62.300 0.117 0.000 1.018 118 V CB -0.687 31.259 31.823 0.205 0.000 0.641 118 V HN 0.591 nan 8.190 nan 0.000 0.445 119 N N 0.079 118.776 118.700 -0.004 0.000 2.166 119 N HA -0.175 4.565 4.740 -0.000 0.000 0.186 119 N C 1.850 177.269 175.510 -0.151 0.000 1.019 119 N CA 1.492 54.501 53.050 -0.069 0.000 0.856 119 N CB -0.113 38.287 38.487 -0.145 0.000 0.993 119 N HN 0.332 nan 8.380 nan 0.000 0.426 120 L N 0.429 121.459 121.223 -0.321 0.000 2.017 120 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 120 L C 1.886 178.544 176.870 -0.354 0.000 1.073 120 L CA 1.563 56.131 54.840 -0.454 0.000 0.745 120 L CB -0.962 40.630 42.059 -0.778 0.000 0.894 120 L HN 0.206 nan 8.230 nan 0.000 0.432 121 Y N -1.355 118.911 120.300 -0.056 0.000 2.269 121 Y HA -0.096 4.454 4.550 -0.000 0.000 0.294 121 Y C 2.817 178.748 175.900 0.051 0.000 1.120 121 Y CA 0.961 59.085 58.100 0.041 0.000 1.159 121 Y CB -1.046 37.458 38.460 0.072 0.000 1.024 121 Y HN 0.285 nan 8.280 nan 0.000 0.532 122 S N -0.253 115.456 115.700 0.014 0.000 2.345 122 S HA -0.227 4.243 4.470 -0.000 0.000 0.220 122 S C 2.326 176.836 174.600 -0.150 0.000 1.031 122 S CA 1.313 59.384 58.200 -0.215 0.000 0.996 122 S CB -1.264 61.545 63.200 -0.651 0.000 0.882 122 S HN 0.504 nan 8.310 nan 0.000 0.445 123 S N 1.568 117.213 115.700 -0.092 0.000 2.372 123 S HA -0.146 4.324 4.470 -0.000 0.000 0.227 123 S C 1.922 176.374 174.600 -0.247 0.000 1.044 123 S CA 1.411 59.576 58.200 -0.059 0.000 1.050 123 S CB -1.348 61.945 63.200 0.155 0.000 0.901 123 S HN 0.489 nan 8.310 nan 0.000 0.447 124 V N 0.045 119.798 119.914 -0.268 0.000 2.358 124 V HA -0.042 4.078 4.120 -0.000 0.000 0.246 124 V C 2.078 177.956 176.094 -0.361 0.000 1.047 124 V CA 1.802 63.819 62.300 -0.471 0.000 1.035 124 V CB -0.774 30.877 31.823 -0.286 0.000 0.658 124 V HN 0.736 nan 8.190 nan 0.000 0.452 125 W N -0.324 120.884 121.300 -0.153 0.000 2.465 125 W HA -0.007 4.653 4.660 -0.000 0.000 0.268 125 W C 2.165 178.615 176.519 -0.114 0.000 1.242 125 W CA 0.990 58.277 57.345 -0.097 0.000 1.248 125 W CB -0.173 29.220 29.460 -0.112 0.000 1.118 125 W HN 0.227 nan 8.180 nan 0.000 0.587 126 I N -0.321 120.234 120.570 -0.026 0.000 2.286 126 I HA -0.288 3.882 4.170 -0.000 0.000 0.245 126 I C 2.136 178.206 176.117 -0.078 0.000 1.104 126 I CA 1.113 62.377 61.300 -0.060 0.000 1.397 126 I CB -0.568 37.405 38.000 -0.045 0.000 1.072 126 I HN -0.094 nan 8.210 nan 0.000 0.417 127 L N 0.383 121.498 121.223 -0.179 0.000 2.141 127 L HA -0.154 4.186 4.340 -0.000 0.000 0.209 127 L C 2.771 179.557 176.870 -0.140 0.000 1.094 127 L CA 1.108 55.819 54.840 -0.215 0.000 0.763 127 L CB -0.760 41.047 42.059 -0.420 0.000 0.908 127 L HN 0.244 nan 8.230 nan 0.000 0.437 128 A N -0.339 122.411 122.820 -0.117 0.000 1.929 128 A HA -0.164 4.156 4.320 -0.000 0.000 0.216 128 A C 2.012 179.598 177.584 0.004 0.000 1.176 128 A CA 1.190 53.175 52.037 -0.086 0.000 0.628 128 A CB -0.551 18.324 19.000 -0.207 0.000 0.816 128 A HN 0.268 nan 8.150 nan 0.000 0.444 129 F N -0.081 119.774 119.950 -0.158 0.000 2.206 129 F HA 0.010 4.537 4.527 -0.000 0.000 0.298 129 F C 2.051 177.518 175.800 -0.554 0.000 1.090 129 F CA 0.928 58.762 58.000 -0.278 0.000 1.323 129 F CB -0.268 38.577 39.000 -0.259 0.000 1.028 129 F HN 0.103 nan 8.300 nan 0.000 0.492 130 I N -1.110 119.215 120.570 -0.408 0.000 2.361 130 I HA -0.308 3.862 4.170 -0.000 0.000 0.251 130 I C 2.294 178.291 176.117 -0.200 0.000 1.133 130 I CA 1.192 62.257 61.300 -0.392 0.000 1.413 130 I CB -0.503 37.377 38.000 -0.200 0.000 1.073 130 I HN -0.017 nan 8.210 nan 0.000 0.424 131 S N 0.645 116.255 115.700 -0.151 0.000 2.383 131 S HA -0.062 4.408 4.470 -0.000 0.000 0.227 131 S C 1.971 176.451 174.600 -0.199 0.000 1.026 131 S CA 1.058 59.161 58.200 -0.162 0.000 0.981 131 S CB -0.239 62.902 63.200 -0.097 0.000 0.818 131 S HN 0.332 nan 8.310 nan 0.000 0.472 132 L N 1.094 122.201 121.223 -0.193 0.000 2.093 132 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 132 L C 2.311 179.158 176.870 -0.038 0.000 1.085 132 L CA 1.323 56.077 54.840 -0.143 0.000 0.755 132 L CB -0.465 41.428 42.059 -0.275 0.000 0.904 132 L HN 0.260 nan 8.230 nan 0.000 0.435 133 D N -0.349 119.993 120.400 -0.095 0.000 2.097 133 D HA -0.191 4.449 4.640 -0.000 0.000 0.195 133 D C 2.325 178.614 176.300 -0.017 0.000 0.989 133 D CA 1.079 55.073 54.000 -0.010 0.000 0.827 133 D CB 0.197 41.011 40.800 0.024 0.000 0.966 133 D HN -0.007 nan 8.370 nan 0.000 0.456 134 R N -0.557 119.905 120.500 -0.062 0.000 2.120 134 R HA -0.157 4.183 4.340 -0.000 0.000 0.234 134 R C 2.208 178.452 176.300 -0.095 0.000 1.123 134 R CA 0.877 56.926 56.100 -0.085 0.000 0.975 134 R CB -1.009 29.206 30.300 -0.141 0.000 0.866 134 R HN 0.486 nan 8.270 nan 0.000 0.446 135 Y N 1.341 121.521 120.300 -0.201 0.000 2.133 135 Y HA -0.096 4.454 4.550 -0.000 0.000 0.287 135 Y C 2.105 177.948 175.900 -0.095 0.000 1.134 135 Y CA 1.340 59.340 58.100 -0.166 0.000 1.133 135 Y CB -0.556 37.797 38.460 -0.178 0.000 0.987 135 Y HN -0.125 nan 8.280 nan 0.000 0.502 136 L N 0.205 121.288 121.223 -0.233 0.000 2.191 136 L HA -0.179 4.161 4.340 -0.000 0.000 0.212 136 L C 2.660 179.423 176.870 -0.178 0.000 1.103 136 L CA 1.114 55.802 54.840 -0.254 0.000 0.769 136 L CB -0.746 41.287 42.059 -0.044 0.000 0.908 136 L HN 0.443 nan 8.230 nan 0.000 0.438 137 A N -0.439 122.307 122.820 -0.123 0.000 1.975 137 A HA 0.015 4.335 4.320 -0.000 0.000 0.215 137 A C 2.114 179.623 177.584 -0.124 0.000 1.170 137 A CA 0.902 52.885 52.037 -0.090 0.000 0.656 137 A CB -0.181 18.793 19.000 -0.043 0.000 0.821 137 A HN 0.302 nan 8.150 nan 0.000 0.449 138 I N -1.131 119.349 120.570 -0.149 0.000 2.512 138 I HA -0.067 4.103 4.170 -0.000 0.000 0.247 138 I C 2.244 178.249 176.117 -0.186 0.000 1.094 138 I CA 0.495 61.710 61.300 -0.141 0.000 1.427 138 I CB -0.064 37.880 38.000 -0.093 0.000 1.149 138 I HN 0.087 nan 8.210 nan 0.000 0.438 139 V N -0.481 119.278 119.914 -0.257 0.000 2.287 139 V HA -0.220 3.900 4.120 -0.000 0.000 0.248 139 V C 0.747 176.745 176.094 -0.160 0.000 1.053 139 V CA 1.574 63.723 62.300 -0.252 0.000 1.027 139 V CB -0.549 31.012 31.823 -0.436 0.000 0.646 139 V HN 0.408 nan 8.190 nan 0.000 0.447 140 H N -1.134 117.785 119.070 -0.252 0.000 3.275 140 H HA 0.578 5.133 4.556 -0.000 0.000 0.326 140 H C -0.135 175.117 175.328 -0.126 0.000 1.096 140 H CA -0.005 55.947 56.048 -0.160 0.000 1.579 140 H CB 1.345 31.028 29.762 -0.132 0.000 1.834 140 H HN 0.355 nan 8.280 nan 0.000 0.510 146 R N 1.199 121.710 120.500 0.018 0.000 2.681 146 R HA 0.519 4.859 4.340 -0.000 0.000 0.277 146 R C -2.220 174.100 176.300 0.033 0.000 1.563 146 R CA -1.470 54.645 56.100 0.024 0.000 1.673 146 R CB 0.784 31.098 30.300 0.023 0.000 1.258 146 R HN 0.620 nan 8.270 nan 0.000 0.650 147 P HA 0.135 nan 4.420 nan 0.000 0.249 147 P C 0.554 177.893 177.300 0.064 0.000 1.229 147 P CA 0.130 63.257 63.100 0.045 0.000 0.788 147 P CB 0.416 32.140 31.700 0.039 0.000 1.072 148 R N 0.160 120.699 120.500 0.065 0.000 2.073 148 R HA -0.002 4.338 4.340 -0.000 0.000 0.229 148 R C 2.167 178.529 176.300 0.103 0.000 1.120 148 R CA 0.864 57.021 56.100 0.096 0.000 0.967 148 R CB -0.209 30.138 30.300 0.078 0.000 0.862 148 R HN 0.018 nan 8.270 nan 0.000 0.436 149 K N 0.889 121.330 120.400 0.068 0.000 2.103 149 K HA -0.092 4.228 4.320 -0.000 0.000 0.204 149 K C 2.019 178.658 176.600 0.065 0.000 1.052 149 K CA 0.756 57.074 56.287 0.052 0.000 0.945 149 K CB -0.172 32.352 32.500 0.040 0.000 0.722 149 K HN 0.060 nan 8.250 nan 0.000 0.443 150 L N 1.399 122.668 121.223 0.078 0.000 2.046 150 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 150 L C 2.133 179.082 176.870 0.132 0.000 1.077 150 L CA 1.350 56.245 54.840 0.092 0.000 0.747 150 L CB -0.352 41.755 42.059 0.080 0.000 0.896 150 L HN 0.090 nan 8.230 nan 0.000 0.432 151 L N -0.905 120.420 121.223 0.170 0.000 1.994 151 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 151 L C 2.662 179.707 176.870 0.292 0.000 1.071 151 L CA 1.382 56.406 54.840 0.307 0.000 0.745 151 L CB -0.950 41.304 42.059 0.325 0.000 0.892 151 L HN 0.356 nan 8.230 nan 0.000 0.431 152 A N -0.659 122.223 122.820 0.103 0.000 1.930 152 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 152 A C 2.136 179.628 177.584 -0.153 0.000 1.175 152 A CA 1.813 53.668 52.037 -0.302 0.000 0.627 152 A CB -0.318 18.392 19.000 -0.482 0.000 0.815 152 A HN 0.340 nan 8.150 nan 0.000 0.443 153 E N -1.235 118.964 120.200 -0.001 0.000 2.276 153 E HA 0.078 4.428 4.350 -0.000 0.000 0.193 153 E C 1.538 178.252 176.600 0.191 0.000 0.983 153 E CA 0.808 57.264 56.400 0.093 0.000 0.861 153 E CB 0.298 30.048 29.700 0.083 0.000 0.817 153 E HN 0.380 nan 8.360 nan 0.000 0.485 154 K N -1.313 119.182 120.400 0.159 0.000 2.544 154 K HA 0.225 4.545 4.320 -0.000 0.000 0.213 154 K C 1.318 178.038 176.600 0.201 0.000 1.392 154 K CA 0.296 56.714 56.287 0.217 0.000 0.980 154 K CB 1.148 33.741 32.500 0.155 0.000 1.177 154 K HN -0.039 nan 8.250 nan 0.000 0.570 155 V N 0.958 120.977 119.914 0.176 0.000 3.174 155 V HA -0.009 4.111 4.120 -0.000 0.000 0.254 155 V C 2.094 178.256 176.094 0.114 0.000 1.120 155 V CA 0.645 63.080 62.300 0.226 0.000 1.114 155 V CB 0.310 32.326 31.823 0.322 0.000 0.756 155 V HN -0.045 nan 8.190 nan 0.000 0.467 156 V N -0.046 119.807 119.914 -0.102 0.000 2.392 156 V HA -0.281 3.839 4.120 -0.000 0.000 0.249 156 V C 2.144 178.005 176.094 -0.388 0.000 1.059 156 V CA 2.294 64.272 62.300 -0.536 0.000 1.051 156 V CB -0.328 31.067 31.823 -0.713 0.000 0.658 156 V HN 0.638 nan 8.190 nan 0.000 0.455 157 Y N -0.971 119.383 120.300 0.090 0.000 2.201 157 Y HA -0.029 4.521 4.550 -0.000 0.000 0.292 157 Y C 2.432 178.406 175.900 0.124 0.000 1.119 157 Y CA 1.573 59.795 58.100 0.204 0.000 1.127 157 Y CB -0.618 37.922 38.460 0.134 0.000 1.019 157 Y HN 0.060 nan 8.280 nan 0.000 0.514 158 V N -0.197 119.844 119.914 0.213 0.000 2.427 158 V HA -0.192 3.928 4.120 -0.000 0.000 0.248 158 V C 2.338 178.451 176.094 0.033 0.000 1.051 158 V CA 1.966 64.337 62.300 0.119 0.000 1.048 158 V CB -1.280 30.609 31.823 0.110 0.000 0.666 158 V HN 0.592 nan 8.190 nan 0.000 0.456 159 G N -0.645 108.151 108.800 -0.007 0.000 2.408 159 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.213 159 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.213 159 G C 1.524 176.260 174.900 -0.275 0.000 1.177 159 G CA 1.231 46.285 45.100 -0.076 0.000 0.802 159 G HN 0.370 nan 8.290 nan 0.000 0.533 160 V N -1.167 118.530 119.914 -0.361 0.000 2.581 160 V HA 0.112 4.232 4.120 -0.000 0.000 0.240 160 V C 2.282 178.186 176.094 -0.318 0.000 1.054 160 V CA 0.731 62.771 62.300 -0.432 0.000 1.076 160 V CB -0.531 30.920 31.823 -0.620 0.000 0.748 160 V HN 0.474 nan 8.190 nan 0.000 0.474 161 W N 0.089 121.351 121.300 -0.063 0.000 2.407 161 W HA -0.006 4.654 4.660 -0.000 0.000 0.305 161 W C 2.186 178.733 176.519 0.047 0.000 1.196 161 W CA 0.712 58.085 57.345 0.047 0.000 1.311 161 W CB -0.456 29.096 29.460 0.154 0.000 1.135 161 W HN 0.116 nan 8.180 nan 0.000 0.514 162 I N 0.319 121.037 120.570 0.247 0.000 2.179 162 I HA -0.226 3.944 4.170 -0.000 0.000 0.242 162 I C -0.718 175.439 176.117 0.066 0.000 1.088 162 I CA 1.641 63.029 61.300 0.147 0.000 1.357 162 I CB -1.774 36.295 38.000 0.115 0.000 1.051 162 I HN -0.180 nan 8.210 nan 0.000 0.409 163 P HA -0.123 nan 4.420 nan 0.000 0.218 163 P C 1.438 178.694 177.300 -0.073 0.000 1.149 163 P CA 1.658 64.706 63.100 -0.086 0.000 0.817 163 P CB -0.082 31.491 31.700 -0.212 0.000 0.785 164 A N -0.741 122.051 122.820 -0.046 0.000 1.972 164 A HA -0.136 4.183 4.320 -0.000 0.000 0.219 164 A C 2.120 179.771 177.584 0.112 0.000 1.169 164 A CA 1.361 53.412 52.037 0.024 0.000 0.635 164 A CB -1.581 17.426 19.000 0.012 0.000 0.810 164 A HN 0.143 nan 8.150 nan 0.000 0.446 165 L N -0.753 120.558 121.223 0.147 0.000 2.179 165 L HA -0.028 4.312 4.340 -0.000 0.000 0.208 165 L C 2.287 179.256 176.870 0.164 0.000 1.096 165 L CA 0.221 55.176 54.840 0.190 0.000 0.779 165 L CB -0.231 41.959 42.059 0.218 0.000 0.922 165 L HN 0.276 nan 8.230 nan 0.000 0.443 166 L N -0.627 120.660 121.223 0.106 0.000 2.093 166 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 166 L C 2.233 179.155 176.870 0.087 0.000 1.085 166 L CA 1.513 56.406 54.840 0.089 0.000 0.755 166 L CB -0.567 41.520 42.059 0.046 0.000 0.904 166 L HN 0.288 nan 8.230 nan 0.000 0.435 167 L N -1.125 120.124 121.223 0.043 0.000 2.478 167 L HA -0.041 4.299 4.340 -0.000 0.000 0.223 167 L C 2.278 179.209 176.870 0.101 0.000 1.140 167 L CA 1.123 55.975 54.840 0.020 0.000 0.842 167 L CB -0.681 41.266 42.059 -0.187 0.000 0.953 167 L HN 0.084 nan 8.230 nan 0.000 0.452 168 T N -1.336 113.293 114.554 0.125 0.000 3.065 168 T HA 0.111 4.461 4.350 -0.000 0.000 0.252 168 T C 1.910 176.677 174.700 0.111 0.000 1.099 168 T CA 0.238 62.389 62.100 0.085 0.000 1.063 168 T CB -0.007 68.894 68.868 0.056 0.000 0.948 168 T HN 0.142 nan 8.240 nan 0.000 0.506 169 I N 2.028 122.739 120.570 0.236 0.000 2.163 169 I HA -0.112 4.057 4.170 -0.000 0.000 0.243 169 I C -0.742 175.487 176.117 0.186 0.000 1.085 169 I CA 1.276 62.758 61.300 0.303 0.000 1.347 169 I CB -1.157 36.968 38.000 0.208 0.000 1.044 169 I HN 0.197 nan 8.210 nan 0.000 0.408 170 P HA -0.125 nan 4.420 nan 0.000 0.217 170 P C 0.876 178.204 177.300 0.045 0.000 1.150 170 P CA 1.412 64.553 63.100 0.068 0.000 0.832 170 P CB -0.059 31.561 31.700 -0.133 0.000 0.787 171 D N -1.937 118.461 120.400 -0.003 0.000 2.264 171 D HA -0.083 4.557 4.640 -0.000 0.000 0.208 171 D C 1.532 177.764 176.300 -0.113 0.000 0.966 171 D CA 0.857 54.824 54.000 -0.054 0.000 0.864 171 D CB -0.639 40.132 40.800 -0.049 0.000 0.933 171 D HN 0.177 nan 8.370 nan 0.000 0.499 172 F N 0.378 120.294 119.950 -0.057 0.000 2.098 172 F HA -0.026 4.501 4.527 0.000 0.000 0.294 172 F C 2.178 177.891 175.800 -0.146 0.000 1.107 172 F CA 0.576 58.526 58.000 -0.082 0.000 1.234 172 F CB -0.196 38.776 39.000 -0.046 0.000 1.002 172 F HN -0.053 nan 8.300 nan 0.000 0.472 173 I N -3.242 117.315 120.570 -0.022 0.000 2.546 173 I HA -0.185 3.984 4.170 -0.000 0.000 0.255 173 I C 1.699 177.582 176.117 -0.391 0.000 1.163 173 I CA 1.617 62.757 61.300 -0.267 0.000 1.457 173 I CB -0.814 36.935 38.000 -0.418 0.000 1.092 173 I HN 0.001 nan 8.210 nan 0.000 0.434 174 F N 1.737 121.607 119.950 -0.134 0.000 2.619 174 F HA 0.429 4.956 4.527 0.000 0.000 0.293 174 F C 1.813 177.414 175.800 -0.331 0.000 1.119 174 F CA -0.061 57.777 58.000 -0.269 0.000 1.445 174 F CB 0.032 38.781 39.000 -0.418 0.000 1.119 174 F HN -0.007 nan 8.300 nan 0.000 0.573 175 A N 1.432 124.127 122.820 -0.208 0.000 2.347 175 A HA 0.387 4.706 4.320 -0.000 0.000 0.287 175 A C -0.254 177.196 177.584 -0.223 0.000 1.199 175 A CA -0.085 51.709 52.037 -0.406 0.000 0.851 175 A CB -0.170 18.402 19.000 -0.714 0.000 1.118 175 A HN 0.281 nan 8.150 nan 0.000 0.525 176 N N 0.784 119.415 118.700 -0.114 0.000 2.610 176 N HA 0.444 5.184 4.740 -0.000 0.000 0.264 176 N C -1.594 173.944 175.510 0.046 0.000 1.348 176 N CA -0.471 52.572 53.050 -0.011 0.000 0.819 176 N CB 2.277 40.788 38.487 0.040 0.000 1.521 176 N HN 0.283 nan 8.380 nan 0.000 0.497 177 V N 1.281 121.199 119.914 0.007 0.000 2.394 177 V HA 0.408 4.528 4.120 -0.000 0.000 0.282 177 V C 0.493 176.611 176.094 0.039 0.000 1.031 177 V CA -0.449 61.868 62.300 0.030 0.000 0.881 177 V CB 1.065 32.888 31.823 0.000 0.000 0.982 177 V HN 0.807 nan 8.190 nan 0.000 0.451 178 S N 3.864 119.605 115.700 0.067 0.000 2.739 178 S HA 0.718 5.188 4.470 -0.000 0.000 0.306 178 S C -0.586 174.091 174.600 0.128 0.000 1.115 178 S CA -0.924 57.257 58.200 -0.032 0.000 0.985 178 S CB 2.107 65.127 63.200 -0.299 0.000 1.133 178 S HN 0.678 nan 8.310 nan 0.000 0.541 179 E N -0.473 119.765 120.200 0.064 0.000 2.281 179 E HA 0.782 5.132 4.350 -0.000 0.000 0.257 179 E C -0.420 176.163 176.600 -0.029 0.000 0.971 179 E CA -1.288 55.133 56.400 0.035 0.000 0.839 179 E CB 2.025 31.736 29.700 0.019 0.000 1.238 179 E HN 0.878 nan 8.360 nan 0.000 0.412 184 Y N 2.997 123.289 120.300 -0.014 0.000 2.326 184 Y HA 0.450 5.000 4.550 -0.000 0.000 0.337 184 Y C 0.475 176.416 175.900 0.068 0.000 1.023 184 Y CA -0.586 57.535 58.100 0.034 0.000 1.143 184 Y CB 1.063 39.558 38.460 0.059 0.000 1.183 184 Y HN 0.229 nan 8.280 nan 0.000 0.485 185 I N 3.474 124.181 120.570 0.229 0.000 2.389 185 I HA 0.185 4.355 4.170 -0.000 0.000 0.288 185 I C -0.473 175.675 176.117 0.052 0.000 0.999 185 I CA -0.876 60.507 61.300 0.137 0.000 1.129 185 I CB 1.202 39.288 38.000 0.144 0.000 1.288 185 I HN 0.627 nan 8.210 nan 0.000 0.444 186 c N 8.603 127.085 118.600 -0.196 0.000 2.264 186 c HA 0.797 5.367 4.570 -0.000 0.000 0.324 186 c C -0.555 173.287 174.090 -0.414 0.000 1.267 186 c CA 0.047 56.074 56.329 -0.505 0.000 1.618 186 c CB -0.798 40.878 42.510 -1.390 0.000 2.278 186 c HN 0.961 nan 8.230 nan 0.000 0.499 187 D N 4.106 124.222 120.400 -0.473 0.000 2.755 187 D HA 0.186 4.826 4.640 -0.000 0.000 0.277 187 D C -1.410 174.372 176.300 -0.864 0.000 1.261 187 D CA -0.729 52.934 54.000 -0.561 0.000 0.759 187 D CB 0.737 41.246 40.800 -0.485 0.000 1.279 187 D HN 0.616 nan 8.370 nan 0.000 0.420 188 R N 0.089 120.159 120.500 -0.717 0.000 2.370 188 R HA 0.365 4.705 4.340 -0.000 0.000 0.309 188 R C -0.752 174.972 176.300 -0.960 0.000 1.059 188 R CA -0.050 55.603 56.100 -0.746 0.000 0.981 188 R CB 0.228 30.167 30.300 -0.601 0.000 0.972 188 R HN 0.173 nan 8.270 nan 0.000 0.437 189 F N 3.881 123.535 119.950 -0.492 0.000 2.332 189 F HA 0.286 4.813 4.527 -0.000 0.000 0.368 189 F C -0.267 175.289 175.800 -0.407 0.000 1.110 189 F CA -0.736 57.062 58.000 -0.336 0.000 1.087 189 F CB 0.507 39.411 39.000 -0.161 0.000 1.235 189 F HN 0.380 nan 8.300 nan 0.000 0.470 190 Y N 3.333 123.587 120.300 -0.076 0.000 2.335 190 Y HA 0.332 4.882 4.550 -0.000 0.000 0.323 190 Y C -1.154 174.644 175.900 -0.170 0.000 1.224 190 Y CA -1.993 55.887 58.100 -0.368 0.000 1.241 190 Y CB 0.199 38.477 38.460 -0.304 0.000 1.235 190 Y HN 0.392 nan 8.280 nan 0.000 0.492 191 P HA -0.078 nan 4.420 nan 0.000 0.219 191 P C -0.842 176.522 177.300 0.106 0.000 1.150 191 P CA 1.356 64.451 63.100 -0.009 0.000 0.814 191 P CB 0.231 31.888 31.700 -0.070 0.000 0.787 192 N N -2.751 116.063 118.700 0.189 0.000 3.243 192 N HA 0.114 4.854 4.740 -0.000 0.000 0.280 192 N C -0.517 175.104 175.510 0.185 0.000 1.545 192 N CA -0.694 52.471 53.050 0.192 0.000 0.854 192 N CB -0.317 38.285 38.487 0.192 0.000 1.612 192 N HN -0.398 nan 8.380 nan 0.000 0.577 193 D N -0.634 119.835 120.400 0.116 0.000 2.317 193 D HA 0.167 4.807 4.640 -0.000 0.000 0.211 193 D C 1.277 177.587 176.300 0.016 0.000 0.966 193 D CA 0.526 54.564 54.000 0.062 0.000 0.876 193 D CB 0.041 40.869 40.800 0.045 0.000 0.927 193 D HN 0.383 nan 8.370 nan 0.000 0.519 194 L N -0.819 120.419 121.223 0.026 0.000 2.017 194 L HA -0.123 4.216 4.340 -0.000 0.000 0.208 194 L C 1.801 178.560 176.870 -0.185 0.000 1.073 194 L CA 1.021 55.807 54.840 -0.090 0.000 0.745 194 L CB -0.438 41.545 42.059 -0.126 0.000 0.894 194 L HN 0.240 nan 8.230 nan 0.000 0.432 195 W N -0.390 120.782 121.300 -0.214 0.000 2.363 195 W HA -0.149 4.511 4.660 -0.000 0.000 0.296 195 W C 2.486 178.689 176.519 -0.526 0.000 1.212 195 W CA 0.912 58.041 57.345 -0.359 0.000 1.260 195 W CB -0.893 28.442 29.460 -0.208 0.000 1.131 195 W HN -0.150 nan 8.180 nan 0.000 0.530 196 V N -0.276 119.462 119.914 -0.293 0.000 2.287 196 V HA -0.313 3.807 4.120 -0.000 0.000 0.248 196 V C 1.929 177.932 176.094 -0.152 0.000 1.053 196 V CA 1.738 63.811 62.300 -0.379 0.000 1.027 196 V CB -1.393 30.315 31.823 -0.193 0.000 0.646 196 V HN 0.052 nan 8.190 nan 0.000 0.447 197 V N -0.463 119.379 119.914 -0.121 0.000 2.358 197 V HA -0.190 3.930 4.120 -0.000 0.000 0.246 197 V C 2.437 178.484 176.094 -0.077 0.000 1.047 197 V CA 1.669 63.925 62.300 -0.074 0.000 1.035 197 V CB -0.298 31.473 31.823 -0.086 0.000 0.658 197 V HN 0.393 nan 8.190 nan 0.000 0.452 198 V N -0.301 119.478 119.914 -0.225 0.000 2.255 198 V HA -0.264 3.856 4.120 -0.000 0.000 0.247 198 V C 2.216 178.229 176.094 -0.135 0.000 1.051 198 V CA 2.342 64.468 62.300 -0.289 0.000 1.018 198 V CB -0.751 30.720 31.823 -0.586 0.000 0.641 198 V HN 0.476 nan 8.190 nan 0.000 0.445 199 F N -0.654 119.329 119.950 0.055 0.000 2.259 199 F HA -0.076 4.451 4.527 -0.000 0.000 0.298 199 F C 2.537 178.438 175.800 0.169 0.000 1.088 199 F CA 0.947 59.024 58.000 0.127 0.000 1.358 199 F CB -0.755 38.319 39.000 0.123 0.000 1.040 199 F HN 0.092 nan 8.300 nan 0.000 0.505 200 Q N -0.410 119.551 119.800 0.268 0.000 2.167 200 Q HA -0.178 4.162 4.340 -0.000 0.000 0.202 200 Q C 2.220 178.378 176.000 0.263 0.000 0.970 200 Q CA 1.277 57.230 55.803 0.249 0.000 0.855 200 Q CB -0.638 28.192 28.738 0.155 0.000 0.911 200 Q HN 0.484 nan 8.270 nan 0.000 0.438 201 F N 0.678 120.678 119.950 0.082 0.000 2.293 201 F HA -0.105 4.422 4.527 -0.000 0.000 0.297 201 F C 2.488 178.338 175.800 0.083 0.000 1.089 201 F CA 1.058 59.084 58.000 0.043 0.000 1.377 201 F CB 0.173 39.165 39.000 -0.013 0.000 1.051 201 F HN 0.105 nan 8.300 nan 0.000 0.511 202 Q N -0.792 119.121 119.800 0.188 0.000 2.079 202 Q HA -0.294 4.046 4.340 -0.000 0.000 0.200 202 Q C 2.121 178.226 176.000 0.175 0.000 0.974 202 Q CA 1.947 57.842 55.803 0.152 0.000 0.840 202 Q CB -0.324 28.585 28.738 0.284 0.000 0.898 202 Q HN 0.616 nan 8.270 nan 0.000 0.430 203 H N -0.040 119.155 119.070 0.210 0.000 2.357 203 H HA -0.077 4.479 4.556 -0.000 0.000 0.301 203 H C 1.814 177.210 175.328 0.114 0.000 1.082 203 H CA 1.702 57.915 56.048 0.275 0.000 1.342 203 H CB -0.025 29.882 29.762 0.242 0.000 1.389 203 H HN 0.220 nan 8.280 nan 0.000 0.511 204 I N 0.194 120.695 120.570 -0.114 0.000 2.252 204 I HA -0.251 3.919 4.170 -0.000 0.000 0.245 204 I C 2.485 178.413 176.117 -0.314 0.000 1.102 204 I CA 1.358 62.503 61.300 -0.259 0.000 1.385 204 I CB -0.798 37.086 38.000 -0.193 0.000 1.064 204 I HN 0.488 nan 8.210 nan 0.000 0.414 205 M N -0.018 119.371 119.600 -0.352 0.000 2.098 205 M HA -0.143 4.337 4.480 -0.000 0.000 0.262 205 M C 2.254 178.483 176.300 -0.118 0.000 1.072 205 M CA 1.654 56.765 55.300 -0.315 0.000 1.133 205 M CB 0.041 32.374 32.600 -0.445 0.000 1.344 205 M HN -0.019 nan 8.290 nan 0.000 0.414 206 V N -0.224 119.683 119.914 -0.013 0.000 2.379 206 V HA -0.112 4.008 4.120 -0.000 0.000 0.245 206 V C 2.521 178.771 176.094 0.259 0.000 1.044 206 V CA 1.921 64.308 62.300 0.145 0.000 1.036 206 V CB -1.490 30.341 31.823 0.013 0.000 0.664 206 V HN 0.686 nan 8.190 nan 0.000 0.453 207 G N -0.797 108.118 108.800 0.191 0.000 2.408 207 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.215 207 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.215 207 G C 1.427 176.222 174.900 -0.174 0.000 1.156 207 G CA 1.255 46.354 45.100 -0.001 0.000 0.793 207 G HN 0.422 nan 8.290 nan 0.000 0.535 208 L N -0.715 120.369 121.223 -0.232 0.000 2.614 208 L HA 0.488 4.828 4.340 -0.000 0.000 0.185 208 L C 2.445 179.159 176.870 -0.259 0.000 1.098 208 L CA 0.467 55.153 54.840 -0.257 0.000 0.852 208 L CB -0.391 41.413 42.059 -0.425 0.000 1.213 208 L HN 0.105 nan 8.230 nan 0.000 0.491 209 I N -0.297 120.124 120.570 -0.250 0.000 2.113 209 I HA -0.267 3.903 4.170 -0.000 0.000 0.238 209 I C 2.338 178.352 176.117 -0.172 0.000 1.070 209 I CA 1.114 62.285 61.300 -0.216 0.000 1.332 209 I CB -0.394 37.480 38.000 -0.211 0.000 1.044 209 I HN 0.256 nan 8.210 nan 0.000 0.402 210 L N 1.067 122.222 121.223 -0.113 0.000 1.989 210 L HA -0.130 4.210 4.340 -0.000 0.000 0.211 210 L C -0.002 176.741 176.870 -0.212 0.000 1.071 210 L CA 2.552 57.372 54.840 -0.034 0.000 0.749 210 L CB -2.620 39.555 42.059 0.194 0.000 0.890 210 L HN 0.206 nan 8.230 nan 0.000 0.431 211 P HA -0.050 nan 4.420 nan 0.000 0.222 211 P C 1.643 178.694 177.300 -0.415 0.000 1.153 211 P CA 1.368 63.940 63.100 -0.881 0.000 0.798 211 P CB -0.194 30.669 31.700 -1.396 0.000 0.796 212 G N 0.701 109.320 108.800 -0.301 0.000 2.440 212 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.218 212 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.218 212 G C 1.623 176.393 174.900 -0.218 0.000 1.154 212 G CA 0.611 45.547 45.100 -0.273 0.000 0.767 212 G HN 0.242 nan 8.290 nan 0.000 0.552 213 I N 0.202 120.660 120.570 -0.188 0.000 2.202 213 I HA -0.149 4.021 4.170 -0.000 0.000 0.242 213 I C 2.807 178.848 176.117 -0.127 0.000 1.091 213 I CA 0.470 61.688 61.300 -0.137 0.000 1.368 213 I CB -0.265 37.670 38.000 -0.108 0.000 1.058 213 I HN 0.033 nan 8.210 nan 0.000 0.410 214 V N 1.200 121.025 119.914 -0.148 0.000 2.252 214 V HA -0.319 3.801 4.120 -0.000 0.000 0.249 214 V C 2.315 178.331 176.094 -0.130 0.000 1.056 214 V CA 2.126 64.340 62.300 -0.143 0.000 1.022 214 V CB -0.517 31.218 31.823 -0.147 0.000 0.641 214 V HN 0.318 nan 8.190 nan 0.000 0.445 215 I N -0.675 119.832 120.570 -0.104 0.000 2.127 215 I HA -0.273 3.897 4.170 -0.000 0.000 0.241 215 I C 2.362 178.525 176.117 0.078 0.000 1.075 215 I CA 1.714 63.021 61.300 0.012 0.000 1.334 215 I CB -0.373 37.669 38.000 0.070 0.000 1.040 215 I HN 0.219 nan 8.210 nan 0.000 0.405 216 L N -0.220 121.002 121.223 -0.003 0.000 2.046 216 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 216 L C 2.670 179.545 176.870 0.008 0.000 1.077 216 L CA 1.311 56.157 54.840 0.009 0.000 0.747 216 L CB -0.459 41.563 42.059 -0.061 0.000 0.896 216 L HN 0.211 nan 8.230 nan 0.000 0.432 217 S N -1.139 114.529 115.700 -0.053 0.000 2.356 217 S HA -0.194 4.275 4.470 -0.000 0.000 0.223 217 S C 2.127 176.659 174.600 -0.113 0.000 1.032 217 S CA 1.420 59.568 58.200 -0.086 0.000 1.005 217 S CB -0.522 62.604 63.200 -0.123 0.000 0.867 217 S HN 0.460 nan 8.310 nan 0.000 0.449 218 C N 0.500 119.702 119.300 -0.165 0.000 2.413 218 C HA -0.100 4.360 4.460 -0.000 0.000 0.276 218 C C 2.370 177.237 174.990 -0.206 0.000 1.236 218 C CA 0.508 59.383 59.018 -0.239 0.000 1.735 218 C CB -1.441 26.119 27.740 -0.300 0.000 2.031 218 C HN 0.612 nan 8.230 nan 0.000 0.474 219 Y N 0.561 120.848 120.300 -0.021 0.000 2.314 219 Y HA -0.195 4.355 4.550 -0.000 0.000 0.293 219 Y C 2.810 178.708 175.900 -0.003 0.000 1.129 219 Y CA 1.524 59.621 58.100 -0.004 0.000 1.201 219 Y CB -0.400 38.055 38.460 -0.009 0.000 0.999 219 Y HN 0.570 nan 8.280 nan 0.000 0.541 220 C N -1.160 118.205 119.300 0.109 0.000 2.456 220 C HA 0.028 4.488 4.460 -0.000 0.000 0.279 220 C C 2.202 177.219 174.990 0.045 0.000 1.427 220 C CA -0.172 58.884 59.018 0.063 0.000 1.778 220 C CB -1.525 26.231 27.740 0.027 0.000 1.842 220 C HN 0.489 nan 8.230 nan 0.000 0.531 221 I N 1.056 121.649 120.570 0.038 0.000 2.339 221 I HA -0.028 4.142 4.170 -0.000 0.000 0.245 221 I C 2.644 178.804 176.117 0.071 0.000 1.096 221 I CA 1.356 62.691 61.300 0.060 0.000 1.408 221 I CB -0.242 37.809 38.000 0.085 0.000 1.092 221 I HN 0.197 nan 8.210 nan 0.000 0.423 222 I N 0.884 121.489 120.570 0.059 0.000 2.142 222 I HA -0.307 3.863 4.170 -0.000 0.000 0.240 222 I C 2.455 178.606 176.117 0.056 0.000 1.078 222 I CA 1.749 63.073 61.300 0.040 0.000 1.343 222 I CB -0.293 37.703 38.000 -0.007 0.000 1.046 222 I HN 0.121 nan 8.210 nan 0.000 0.405 223 I N -0.118 120.503 120.570 0.085 0.000 2.208 223 I HA -0.337 3.833 4.170 -0.000 0.000 0.245 223 I C 2.777 178.917 176.117 0.038 0.000 1.097 223 I CA 1.480 62.820 61.300 0.067 0.000 1.363 223 I CB -0.366 37.679 38.000 0.075 0.000 1.051 223 I HN 0.245 nan 8.210 nan 0.000 0.413 224 S N 0.763 116.485 115.700 0.036 0.000 2.343 224 S HA -0.213 4.257 4.470 -0.000 0.000 0.219 224 S C 1.637 176.247 174.600 0.016 0.000 1.033 224 S CA 1.419 59.633 58.200 0.023 0.000 1.014 224 S CB -0.093 63.121 63.200 0.025 0.000 0.915 224 S HN 0.143 nan 8.310 nan 0.000 0.435 225 K N 0.851 121.263 120.400 0.020 0.000 3.192 225 K HA 0.347 4.667 4.320 -0.000 0.000 0.269 225 K C -0.651 175.948 176.600 -0.002 0.000 1.270 225 K CA 0.069 56.361 56.287 0.009 0.000 1.249 225 K CB -0.325 32.182 32.500 0.012 0.000 1.528 225 K HN 0.279 nan 8.250 nan 0.000 0.360 226 L N -0.118 121.105 121.223 0.000 0.000 3.186 226 L HA 0.358 4.698 4.340 -0.000 0.000 0.317 226 L C -1.121 175.743 176.870 -0.010 0.000 1.296 226 L CA 0.036 54.873 54.840 -0.004 0.000 0.870 226 L CB 0.623 42.687 42.059 0.008 0.000 1.302 226 L HN 0.141 nan 8.230 nan 0.000 0.590 231 G N 0.894 109.735 108.800 0.068 0.000 3.709 231 G HA2 0.257 4.217 3.960 -0.000 0.000 0.272 231 G HA3 0.257 4.217 3.960 -0.000 0.000 0.272 231 G C 0.543 175.502 174.900 0.097 0.000 1.259 231 G CA 0.903 46.036 45.100 0.055 0.000 1.512 231 G HN 0.707 nan 8.290 nan 0.000 0.625 232 H N -1.100 117.982 119.070 0.019 0.000 2.695 232 H HA 0.162 4.718 4.556 -0.000 0.000 0.267 232 H C 1.710 177.052 175.328 0.025 0.000 0.973 232 H CA 0.333 56.396 56.048 0.026 0.000 1.223 232 H CB 0.430 30.210 29.762 0.030 0.000 1.442 232 H HN 0.473 nan 8.280 nan 0.000 0.478 233 Q N 0.989 120.705 119.800 -0.140 0.000 2.212 233 Q HA -0.035 4.305 4.340 -0.000 0.000 0.199 233 Q C 2.495 178.435 176.000 -0.100 0.000 0.950 233 Q CA 1.284 56.989 55.803 -0.164 0.000 0.863 233 Q CB 0.302 29.033 28.738 -0.012 0.000 0.944 233 Q HN 0.460 nan 8.270 nan 0.000 0.465 234 K N 0.941 121.312 120.400 -0.048 0.000 2.103 234 K HA -0.117 4.202 4.320 -0.000 0.000 0.204 234 K C 1.743 178.324 176.600 -0.033 0.000 1.052 234 K CA 1.354 57.623 56.287 -0.029 0.000 0.945 234 K CB -0.433 32.056 32.500 -0.019 0.000 0.722 234 K HN 0.183 nan 8.250 nan 0.000 0.443 235 R N -0.237 120.236 120.500 -0.045 0.000 2.093 235 R HA -0.000 4.340 4.340 -0.000 0.000 0.224 235 R C 2.261 178.529 176.300 -0.053 0.000 1.101 235 R CA 0.798 56.880 56.100 -0.031 0.000 0.979 235 R CB 0.103 30.399 30.300 -0.007 0.000 0.877 235 R HN 0.193 nan 8.270 nan 0.000 0.441 236 K N 0.216 120.538 120.400 -0.129 0.000 2.097 236 K HA -0.026 4.294 4.320 -0.000 0.000 0.205 236 K C 1.861 178.423 176.600 -0.063 0.000 1.050 236 K CA 1.260 57.470 56.287 -0.129 0.000 0.938 236 K CB -0.131 32.221 32.500 -0.247 0.000 0.718 236 K HN 0.195 nan 8.250 nan 0.000 0.442 237 A N 1.376 124.167 122.820 -0.048 0.000 1.902 237 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 237 A C 2.181 179.777 177.584 0.020 0.000 1.181 237 A CA 1.313 53.345 52.037 -0.009 0.000 0.623 237 A CB -0.565 18.437 19.000 0.004 0.000 0.818 237 A HN 0.269 nan 8.150 nan 0.000 0.443 238 L N -0.352 120.888 121.223 0.029 0.000 1.989 238 L HA -0.156 4.184 4.340 -0.000 0.000 0.211 238 L C 2.261 179.176 176.870 0.075 0.000 1.071 238 L CA 2.597 57.486 54.840 0.081 0.000 0.749 238 L CB -0.554 41.549 42.059 0.074 0.000 0.890 238 L HN 0.336 nan 8.230 nan 0.000 0.431 239 K N -1.252 119.164 120.400 0.028 0.000 2.026 239 K HA -0.149 4.171 4.320 -0.000 0.000 0.208 239 K C 1.888 178.488 176.600 -0.001 0.000 1.048 239 K CA 2.111 58.402 56.287 0.007 0.000 0.929 239 K CB -0.371 32.128 32.500 -0.002 0.000 0.713 239 K HN 0.453 nan 8.250 nan 0.000 0.439 240 T N 0.201 114.751 114.554 -0.007 0.000 2.684 240 T HA -0.164 4.186 4.350 -0.000 0.000 0.267 240 T C 1.837 176.531 174.700 -0.011 0.000 1.036 240 T CA 1.983 64.069 62.100 -0.024 0.000 1.148 240 T CB -0.549 68.290 68.868 -0.048 0.000 0.863 240 T HN 0.305 nan 8.240 nan 0.000 0.436 241 T N 1.946 116.516 114.554 0.025 0.000 2.708 241 T HA -0.089 4.260 4.350 -0.000 0.000 0.266 241 T C 2.217 176.942 174.700 0.042 0.000 1.037 241 T CA 1.068 63.205 62.100 0.062 0.000 1.146 241 T CB -0.686 68.262 68.868 0.134 0.000 0.865 241 T HN 0.143 nan 8.240 nan 0.000 0.435 242 V N 1.482 121.397 119.914 0.002 0.000 2.252 242 V HA -0.202 3.918 4.120 -0.000 0.000 0.249 242 V C 2.398 178.452 176.094 -0.066 0.000 1.056 242 V CA 1.746 63.968 62.300 -0.131 0.000 1.022 242 V CB -0.680 31.046 31.823 -0.162 0.000 0.641 242 V HN 0.473 nan 8.190 nan 0.000 0.445 243 I N -0.733 119.820 120.570 -0.029 0.000 2.179 243 I HA -0.249 3.921 4.170 -0.000 0.000 0.242 243 I C 2.383 178.509 176.117 0.016 0.000 1.088 243 I CA 1.420 62.716 61.300 -0.006 0.000 1.357 243 I CB -0.511 37.485 38.000 -0.007 0.000 1.051 243 I HN 0.295 nan 8.210 nan 0.000 0.409 244 L N 0.664 121.893 121.223 0.008 0.000 2.042 244 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 244 L C 2.257 179.146 176.870 0.032 0.000 1.076 244 L CA 1.966 56.817 54.840 0.018 0.000 0.749 244 L CB -0.425 41.627 42.059 -0.011 0.000 0.893 244 L HN 0.087 nan 8.230 nan 0.000 0.432 245 I N -1.424 119.158 120.570 0.020 0.000 2.193 245 I HA -0.225 3.945 4.170 -0.000 0.000 0.240 245 I C 2.248 178.465 176.117 0.166 0.000 1.084 245 I CA 0.768 62.096 61.300 0.046 0.000 1.365 245 I CB -0.489 37.561 38.000 0.083 0.000 1.064 245 I HN 0.196 nan 8.210 nan 0.000 0.410 246 L N 0.367 121.664 121.223 0.124 0.000 2.079 246 L HA -0.207 4.133 4.340 -0.000 0.000 0.210 246 L C 2.572 179.536 176.870 0.157 0.000 1.081 246 L CA 2.325 57.253 54.840 0.146 0.000 0.752 246 L CB -1.378 40.711 42.059 0.050 0.000 0.896 246 L HN 0.305 nan 8.230 nan 0.000 0.433 247 A N -1.156 121.737 122.820 0.121 0.000 1.929 247 A HA -0.260 4.060 4.320 -0.000 0.000 0.216 247 A C 2.190 179.857 177.584 0.138 0.000 1.176 247 A CA 1.227 53.335 52.037 0.117 0.000 0.628 247 A CB -0.840 18.224 19.000 0.106 0.000 0.816 247 A HN 0.405 nan 8.150 nan 0.000 0.444 248 F N -0.240 119.689 119.950 -0.035 0.000 2.095 248 F HA -0.187 4.340 4.527 -0.000 0.000 0.298 248 F C 1.785 177.521 175.800 -0.107 0.000 1.104 248 F CA 1.889 59.815 58.000 -0.124 0.000 1.232 248 F CB -0.257 38.542 39.000 -0.334 0.000 0.987 248 F HN 0.213 nan 8.300 nan 0.000 0.475 249 F N 0.272 120.399 119.950 0.296 0.000 2.293 249 F HA 0.070 4.596 4.527 -0.000 0.000 0.297 249 F C 2.498 178.362 175.800 0.106 0.000 1.089 249 F CA 0.823 58.955 58.000 0.220 0.000 1.377 249 F CB -1.441 37.719 39.000 0.266 0.000 1.051 249 F HN 0.053 nan 8.300 nan 0.000 0.511 250 A N -1.007 121.938 122.820 0.208 0.000 1.930 250 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 250 A C 2.278 179.866 177.584 0.007 0.000 1.175 250 A CA 1.702 53.802 52.037 0.105 0.000 0.627 250 A CB -1.457 17.590 19.000 0.079 0.000 0.815 250 A HN 0.458 nan 8.150 nan 0.000 0.443 251 C N -3.015 116.243 119.300 -0.070 0.000 2.440 251 C HA -0.115 4.345 4.460 -0.000 0.000 0.278 251 C C 2.262 177.006 174.990 -0.410 0.000 1.295 251 C CA 0.525 59.404 59.018 -0.231 0.000 1.738 251 C CB -1.629 25.955 27.740 -0.261 0.000 1.987 251 C HN 0.845 nan 8.230 nan 0.000 0.492 252 W N -0.145 120.926 121.300 -0.381 0.000 3.077 252 W HA 0.210 4.870 4.660 -0.000 0.000 0.266 252 W C 2.148 178.266 176.519 -0.669 0.000 1.300 252 W CA -0.310 56.654 57.345 -0.635 0.000 1.586 252 W CB -0.311 28.578 29.460 -0.952 0.000 1.103 252 W HN 0.156 nan 8.180 nan 0.000 0.652 253 L N 2.142 123.336 121.223 -0.049 0.000 2.012 253 L HA -0.112 4.228 4.340 -0.000 0.000 0.210 253 L C -0.735 176.196 176.870 0.102 0.000 1.073 253 L CA 2.277 57.189 54.840 0.120 0.000 0.748 253 L CB -1.649 40.503 42.059 0.155 0.000 0.891 253 L HN -0.233 nan 8.230 nan 0.000 0.431 254 P HA -0.186 nan 4.420 nan 0.000 0.219 254 P C 1.218 178.592 177.300 0.124 0.000 1.150 254 P CA 1.307 64.452 63.100 0.075 0.000 0.814 254 P CB -0.251 31.480 31.700 0.053 0.000 0.787 255 Y N -0.874 119.426 120.300 -0.001 0.000 2.200 255 Y HA -0.227 4.323 4.550 -0.000 0.000 0.290 255 Y C 2.018 178.027 175.900 0.182 0.000 1.137 255 Y CA 1.522 59.669 58.100 0.078 0.000 1.163 255 Y CB -0.813 37.718 38.460 0.118 0.000 0.988 255 Y HN -0.141 nan 8.280 nan 0.000 0.518 256 Y N 0.009 120.438 120.300 0.216 0.000 2.181 256 Y HA -0.227 4.323 4.550 -0.000 0.000 0.288 256 Y C 2.437 178.331 175.900 -0.009 0.000 1.146 256 Y CA 1.251 59.397 58.100 0.076 0.000 1.164 256 Y CB -1.080 37.457 38.460 0.129 0.000 0.982 256 Y HN 0.152 nan 8.280 nan 0.000 0.515 257 I N -0.554 120.124 120.570 0.180 0.000 2.179 257 I HA -0.244 3.926 4.170 -0.000 0.000 0.242 257 I C 2.693 178.836 176.117 0.043 0.000 1.088 257 I CA 1.517 62.877 61.300 0.100 0.000 1.357 257 I CB -0.946 37.104 38.000 0.084 0.000 1.051 257 I HN 0.238 nan 8.210 nan 0.000 0.409 258 G N 1.428 110.232 108.800 0.007 0.000 2.459 258 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.217 258 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.217 258 G C 1.590 176.429 174.900 -0.101 0.000 1.183 258 G CA 0.650 45.728 45.100 -0.037 0.000 0.776 258 G HN 0.184 nan 8.290 nan 0.000 0.552 259 I N 1.468 121.914 120.570 -0.207 0.000 2.179 259 I HA -0.133 4.036 4.170 -0.000 0.000 0.242 259 I C 2.999 179.038 176.117 -0.130 0.000 1.088 259 I CA 1.365 62.539 61.300 -0.210 0.000 1.357 259 I CB -1.265 36.558 38.000 -0.296 0.000 1.051 259 I HN 0.123 nan 8.210 nan 0.000 0.409 260 S N 1.154 116.801 115.700 -0.089 0.000 2.365 260 S HA -0.186 4.283 4.470 -0.000 0.000 0.225 260 S C 2.081 176.650 174.600 -0.052 0.000 1.039 260 S CA 1.444 59.573 58.200 -0.119 0.000 1.033 260 S CB -0.411 62.794 63.200 0.008 0.000 0.887 260 S HN 0.359 nan 8.310 nan 0.000 0.447 261 I N 1.304 121.927 120.570 0.089 0.000 2.179 261 I HA -0.199 3.971 4.170 -0.000 0.000 0.242 261 I C 2.294 178.490 176.117 0.132 0.000 1.088 261 I CA 1.438 62.854 61.300 0.192 0.000 1.357 261 I CB -0.338 37.748 38.000 0.143 0.000 1.051 261 I HN 0.171 nan 8.210 nan 0.000 0.409 262 D N 0.114 120.517 120.400 0.006 0.000 2.224 262 D HA -0.104 4.535 4.640 -0.000 0.000 0.205 262 D C 2.255 178.532 176.300 -0.038 0.000 0.965 262 D CA 0.837 54.815 54.000 -0.037 0.000 0.852 262 D CB 0.147 40.849 40.800 -0.164 0.000 0.947 262 D HN 0.116 nan 8.370 nan 0.000 0.494 263 S N -0.606 115.022 115.700 -0.120 0.000 2.383 263 S HA -0.105 4.365 4.470 -0.000 0.000 0.227 263 S C 1.502 175.996 174.600 -0.177 0.000 1.026 263 S CA 0.576 58.657 58.200 -0.198 0.000 0.981 263 S CB -0.292 62.692 63.200 -0.359 0.000 0.818 263 S HN 0.291 nan 8.310 nan 0.000 0.472 264 F N 0.840 120.804 119.950 0.024 0.000 2.407 264 F HA 0.199 4.726 4.527 -0.000 0.000 0.299 264 F C 1.809 177.628 175.800 0.031 0.000 1.097 264 F CA -0.220 57.795 58.000 0.025 0.000 1.422 264 F CB -0.544 38.470 39.000 0.023 0.000 1.067 264 F HN 0.132 nan 8.300 nan 0.000 0.539 265 I N -0.689 119.991 120.570 0.183 0.000 2.353 265 I HA -0.240 3.930 4.170 -0.000 0.000 0.248 265 I C 2.344 178.523 176.117 0.105 0.000 1.119 265 I CA 0.942 62.325 61.300 0.138 0.000 1.417 265 I CB -0.234 37.843 38.000 0.129 0.000 1.078 265 I HN 0.071 nan 8.210 nan 0.000 0.421 266 L N -0.325 120.945 121.223 0.079 0.000 2.093 266 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 266 L C 1.754 178.658 176.870 0.057 0.000 1.085 266 L CA 1.287 56.163 54.840 0.060 0.000 0.755 266 L CB 0.014 42.095 42.059 0.037 0.000 0.904 266 L HN 0.212 nan 8.230 nan 0.000 0.435 267 L N -0.327 120.940 121.223 0.074 0.000 2.628 267 L HA 0.075 4.415 4.340 -0.000 0.000 0.229 267 L C 0.333 177.262 176.870 0.098 0.000 1.137 267 L CA -0.009 54.880 54.840 0.081 0.000 0.909 267 L CB -0.275 41.840 42.059 0.094 0.000 1.137 267 L HN 0.295 nan 8.230 nan 0.000 0.470 268 E N -1.903 118.357 120.200 0.100 0.000 2.416 268 E HA -0.260 4.090 4.350 -0.000 0.000 0.249 268 E C 0.485 177.122 176.600 0.061 0.000 1.124 268 E CA 0.829 57.276 56.400 0.078 0.000 0.732 268 E CB -2.447 27.284 29.700 0.050 0.000 1.286 268 E HN 0.451 nan 8.360 nan 0.000 0.394 269 I N -0.448 120.167 120.570 0.075 0.000 2.703 269 I HA 0.125 4.295 4.170 -0.000 0.000 0.259 269 I C 1.188 177.296 176.117 -0.015 0.000 1.151 269 I CA 0.219 61.525 61.300 0.010 0.000 1.470 269 I CB 0.096 38.068 38.000 -0.048 0.000 1.112 269 I HN 0.216 nan 8.210 nan 0.000 0.437 270 I N 1.601 122.183 120.570 0.021 0.000 2.416 270 I HA 0.036 4.206 4.170 -0.000 0.000 0.288 270 I C 0.763 176.875 176.117 -0.008 0.000 1.051 270 I CA 0.125 61.423 61.300 -0.002 0.000 1.375 270 I CB 0.368 38.393 38.000 0.041 0.000 1.407 270 I HN 0.011 nan 8.210 nan 0.000 0.516 271 K N 6.404 126.777 120.400 -0.046 0.000 2.142 271 K HA 0.224 4.544 4.320 -0.000 0.000 0.250 271 K C -0.705 175.855 176.600 -0.068 0.000 1.148 271 K CA -0.187 56.074 56.287 -0.043 0.000 1.040 271 K CB 0.080 32.550 32.500 -0.050 0.000 1.569 271 K HN 0.480 nan 8.250 nan 0.000 0.361 272 Q N 0.755 120.536 119.800 -0.031 0.000 2.435 272 Q HA 0.324 4.664 4.340 -0.000 0.000 0.282 272 Q C -0.317 175.721 176.000 0.063 0.000 1.020 272 Q CA -0.662 55.125 55.803 -0.027 0.000 0.820 272 Q CB 1.968 30.631 28.738 -0.125 0.000 1.436 272 Q HN 0.661 nan 8.270 nan 0.000 0.395 273 G N -0.158 108.692 108.800 0.083 0.000 2.516 273 G HA2 0.230 4.190 3.960 -0.000 0.000 0.276 273 G HA3 0.230 4.190 3.960 -0.000 0.000 0.276 273 G C 0.813 175.806 174.900 0.155 0.000 1.390 273 G CA -0.133 45.033 45.100 0.110 0.000 1.050 273 G HN 0.758 nan 8.290 nan 0.000 0.519 274 c N -1.034 117.652 118.600 0.144 0.000 2.448 274 c HA 0.038 4.608 4.570 -0.000 0.000 0.280 274 c C 2.689 176.870 174.090 0.152 0.000 1.398 274 c CA 1.011 57.431 56.329 0.151 0.000 1.774 274 c CB -0.740 41.858 42.510 0.147 0.000 1.888 274 c HN 0.937 nan 8.230 nan 0.000 0.519 275 E N 0.835 121.125 120.200 0.150 0.000 2.085 275 E HA -0.236 4.114 4.350 -0.000 0.000 0.194 275 E C 1.724 178.432 176.600 0.180 0.000 0.994 275 E CA 1.636 58.122 56.400 0.144 0.000 0.801 275 E CB -0.508 29.272 29.700 0.133 0.000 0.743 275 E HN 0.606 nan 8.360 nan 0.000 0.453 276 F N 0.692 120.684 119.950 0.070 0.000 2.335 276 F HA 0.182 4.709 4.527 -0.000 0.000 0.296 276 F C 1.924 177.780 175.800 0.095 0.000 1.091 276 F CA 0.939 58.981 58.000 0.071 0.000 1.399 276 F CB 0.173 39.201 39.000 0.047 0.000 1.067 276 F HN 0.034 nan 8.300 nan 0.000 0.520 277 E N -0.222 120.119 120.200 0.234 0.000 2.204 277 E HA -0.165 4.185 4.350 -0.000 0.000 0.194 277 E C 1.624 178.336 176.600 0.187 0.000 0.989 277 E CA 0.891 57.410 56.400 0.197 0.000 0.824 277 E CB -0.065 29.757 29.700 0.203 0.000 0.756 277 E HN 0.389 nan 8.360 nan 0.000 0.477 278 N N -0.278 118.509 118.700 0.145 0.000 2.368 278 N HA -0.036 4.704 4.740 -0.000 0.000 0.176 278 N C 1.666 177.241 175.510 0.107 0.000 1.021 278 N CA 0.923 54.056 53.050 0.139 0.000 0.888 278 N CB -0.020 38.527 38.487 0.101 0.000 0.995 278 N HN 0.047 nan 8.380 nan 0.000 0.437 279 T N 1.565 116.138 114.554 0.032 0.000 2.788 279 T HA -0.092 4.258 4.350 -0.000 0.000 0.268 279 T C 2.251 176.985 174.700 0.057 0.000 1.044 279 T CA 1.405 63.515 62.100 0.016 0.000 1.139 279 T CB -0.294 68.507 68.868 -0.112 0.000 0.867 279 T HN 0.200 nan 8.240 nan 0.000 0.454 280 V N -0.126 119.739 119.914 -0.082 0.000 2.307 280 V HA -0.175 3.945 4.120 -0.000 0.000 0.245 280 V C 2.106 178.228 176.094 0.047 0.000 1.045 280 V CA 1.731 64.002 62.300 -0.048 0.000 1.024 280 V CB -1.290 30.460 31.823 -0.122 0.000 0.651 280 V HN 0.443 nan 8.190 nan 0.000 0.449 281 H N 0.318 119.423 119.070 0.059 0.000 2.422 281 H HA -0.079 4.477 4.556 -0.000 0.000 0.298 281 H C 2.354 177.724 175.328 0.071 0.000 1.098 281 H CA 2.156 58.249 56.048 0.074 0.000 1.315 281 H CB 0.049 29.852 29.762 0.068 0.000 1.382 281 H HN 0.457 nan 8.280 nan 0.000 0.523 282 K N -0.148 120.349 120.400 0.162 0.000 2.001 282 K HA -0.171 4.149 4.320 -0.000 0.000 0.208 282 K C 1.571 178.130 176.600 -0.069 0.000 1.048 282 K CA 1.468 57.769 56.287 0.024 0.000 0.932 282 K CB -0.162 32.313 32.500 -0.042 0.000 0.715 282 K HN 0.320 nan 8.250 nan 0.000 0.437 283 W N 0.986 122.286 121.300 0.000 0.000 2.402 283 W HA -0.009 4.651 4.660 -0.000 0.000 0.286 283 W C 1.867 178.398 176.519 0.021 0.000 1.221 283 W CA 0.480 57.817 57.345 -0.013 0.000 1.257 283 W CB -0.085 29.333 29.460 -0.070 0.000 1.120 283 W HN 0.068 nan 8.180 nan 0.000 0.551 284 I N -0.545 120.147 120.570 0.202 0.000 2.286 284 I HA -0.320 3.850 4.170 -0.000 0.000 0.248 284 I C 2.328 178.587 176.117 0.237 0.000 1.115 284 I CA 1.362 62.762 61.300 0.167 0.000 1.392 284 I CB -0.506 37.526 38.000 0.052 0.000 1.065 284 I HN -0.204 nan 8.210 nan 0.000 0.418 285 S N 0.449 116.257 115.700 0.181 0.000 2.387 285 S HA -0.042 4.428 4.470 -0.000 0.000 0.226 285 S C 1.960 176.598 174.600 0.063 0.000 1.026 285 S CA 1.050 59.347 58.200 0.163 0.000 0.972 285 S CB -0.216 63.076 63.200 0.153 0.000 0.814 285 S HN 0.316 nan 8.310 nan 0.000 0.477 286 I N 1.846 122.417 120.570 0.002 0.000 2.202 286 I HA -0.173 3.997 4.170 -0.000 0.000 0.242 286 I C 2.850 178.964 176.117 -0.005 0.000 1.091 286 I CA 1.554 62.827 61.300 -0.045 0.000 1.368 286 I CB -0.798 37.050 38.000 -0.253 0.000 1.058 286 I HN 0.395 nan 8.210 nan 0.000 0.410 287 T N -1.949 112.663 114.554 0.096 0.000 2.867 287 T HA -0.198 4.152 4.350 -0.000 0.000 0.268 287 T C 1.705 176.365 174.700 -0.067 0.000 1.057 287 T CA 1.328 63.481 62.100 0.088 0.000 1.136 287 T CB -0.335 68.661 68.868 0.214 0.000 0.874 287 T HN 0.432 nan 8.240 nan 0.000 0.466 288 E N 1.421 121.601 120.200 -0.034 0.000 2.047 288 E HA -0.024 4.326 4.350 -0.000 0.000 0.191 288 E C 2.520 178.517 176.600 -1.005 0.000 0.987 288 E CA 0.921 57.073 56.400 -0.412 0.000 0.799 288 E CB -0.458 29.218 29.700 -0.041 0.000 0.752 288 E HN 0.609 nan 8.360 nan 0.000 0.449 289 A N 1.045 123.490 122.820 -0.626 0.000 1.908 289 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 289 A C 2.198 179.502 177.584 -0.467 0.000 1.181 289 A CA 1.187 52.874 52.037 -0.583 0.000 0.627 289 A CB -0.693 18.021 19.000 -0.476 0.000 0.818 289 A HN 0.327 nan 8.150 nan 0.000 0.445 290 L N -0.964 120.048 121.223 -0.353 0.000 2.201 290 L HA -0.129 4.211 4.340 -0.000 0.000 0.212 290 L C 2.959 179.639 176.870 -0.318 0.000 1.105 290 L CA 0.736 55.425 54.840 -0.251 0.000 0.775 290 L CB -0.366 41.598 42.059 -0.159 0.000 0.913 290 L HN 0.452 nan 8.230 nan 0.000 0.440 291 A N -0.258 122.206 122.820 -0.593 0.000 1.968 291 A HA -0.163 4.156 4.320 -0.000 0.000 0.217 291 A C 1.871 179.096 177.584 -0.597 0.000 1.169 291 A CA 0.916 52.393 52.037 -0.934 0.000 0.638 291 A CB -0.580 17.342 19.000 -1.797 0.000 0.812 291 A HN 0.301 nan 8.150 nan 0.000 0.446 292 F N -0.971 118.776 119.950 -0.339 0.000 2.287 292 F HA -0.163 4.364 4.527 -0.000 0.000 0.301 292 F C 1.750 177.451 175.800 -0.166 0.000 1.069 292 F CA 0.205 58.115 58.000 -0.150 0.000 1.372 292 F CB -1.436 37.587 39.000 0.039 0.000 1.056 292 F HN 0.371 nan 8.300 nan 0.000 0.523 293 F N 1.235 121.141 119.950 -0.073 0.000 2.346 293 F HA -0.260 4.267 4.527 -0.000 0.000 0.301 293 F C 2.598 178.356 175.800 -0.071 0.000 1.070 293 F CA 1.663 59.617 58.000 -0.077 0.000 1.407 293 F CB -0.698 38.248 39.000 -0.089 0.000 1.072 293 F HN 0.299 nan 8.300 nan 0.000 0.543 294 H N -3.124 115.913 119.070 -0.056 0.000 2.518 294 H HA -0.131 4.425 4.556 -0.000 0.000 0.289 294 H C 1.948 177.299 175.328 0.037 0.000 1.051 294 H CA 1.514 57.549 56.048 -0.022 0.000 1.280 294 H CB -1.372 28.331 29.762 -0.098 0.000 1.380 294 H HN 0.284 nan 8.280 nan 0.000 0.566 295 C N -0.348 118.691 119.300 -0.434 0.000 2.481 295 C HA 0.051 4.511 4.460 -0.000 0.000 0.275 295 C C 2.327 177.199 174.990 -0.195 0.000 1.419 295 C CA 0.428 59.284 59.018 -0.270 0.000 1.773 295 C CB -0.891 26.716 27.740 -0.222 0.000 1.862 295 C HN 0.841 nan 8.230 nan 0.000 0.530 296 C N -0.078 119.019 119.300 -0.339 0.000 2.780 296 C HA 0.209 4.669 4.460 -0.000 0.000 0.267 296 C C 2.396 177.203 174.990 -0.305 0.000 1.266 296 C CA -0.076 58.682 59.018 -0.433 0.000 1.709 296 C CB -1.299 25.910 27.740 -0.886 0.000 1.975 296 C HN 0.582 nan 8.230 nan 0.000 0.582 297 L N 1.996 123.111 121.223 -0.180 0.000 2.005 297 L HA -0.139 4.201 4.340 -0.000 0.000 0.207 297 L C 2.564 179.444 176.870 0.017 0.000 1.072 297 L CA 2.120 56.944 54.840 -0.026 0.000 0.744 297 L CB -0.904 41.198 42.059 0.071 0.000 0.895 297 L HN 0.405 nan 8.230 nan 0.000 0.433 298 N N 0.200 118.921 118.700 0.035 0.000 2.036 298 N HA -0.167 4.573 4.740 -0.000 0.000 0.195 298 N C -0.803 174.783 175.510 0.126 0.000 1.037 298 N CA 1.851 54.934 53.050 0.056 0.000 0.855 298 N CB -0.884 37.663 38.487 0.101 0.000 1.033 298 N HN 0.088 nan 8.380 nan 0.000 0.423 299 P HA -0.007 nan 4.420 nan 0.000 0.217 299 P C 1.237 178.627 177.300 0.149 0.000 1.151 299 P CA 0.841 64.052 63.100 0.185 0.000 0.828 299 P CB 0.048 31.783 31.700 0.058 0.000 0.788 300 I N -1.121 119.499 120.570 0.083 0.000 2.394 300 I HA -0.171 3.999 4.170 -0.000 0.000 0.251 300 I C 2.128 178.358 176.117 0.189 0.000 1.136 300 I CA 1.146 62.521 61.300 0.126 0.000 1.425 300 I CB -0.763 37.324 38.000 0.145 0.000 1.079 300 I HN -0.093 nan 8.210 nan 0.000 0.425 301 L N -1.063 120.231 121.223 0.118 0.000 2.201 301 L HA -0.213 4.127 4.340 -0.000 0.000 0.212 301 L C 2.313 179.192 176.870 0.015 0.000 1.105 301 L CA 1.856 56.729 54.840 0.056 0.000 0.775 301 L CB -1.045 40.978 42.059 -0.059 0.000 0.913 301 L HN 0.272 nan 8.230 nan 0.000 0.440 302 Y N -0.250 120.085 120.300 0.059 0.000 2.263 302 Y HA -0.117 4.433 4.550 -0.000 0.000 0.292 302 Y C 2.537 178.444 175.900 0.012 0.000 1.130 302 Y CA 1.152 59.272 58.100 0.034 0.000 1.179 302 Y CB -0.474 37.996 38.460 0.016 0.000 0.998 302 Y HN 0.150 nan 8.280 nan 0.000 0.532 303 A N -0.539 122.357 122.820 0.128 0.000 1.855 303 A HA -0.123 4.197 4.320 -0.000 0.000 0.215 303 A C 2.033 179.560 177.584 -0.095 0.000 1.191 303 A CA 1.423 53.433 52.037 -0.044 0.000 0.613 303 A CB -1.165 17.730 19.000 -0.176 0.000 0.829 303 A HN 0.393 nan 8.150 nan 0.000 0.442 304 F N -0.685 119.296 119.950 0.052 0.000 2.098 304 F HA 0.153 4.680 4.527 -0.000 0.000 0.294 304 F C 1.327 177.147 175.800 0.033 0.000 1.107 304 F CA 0.554 58.577 58.000 0.039 0.000 1.234 304 F CB -0.112 38.908 39.000 0.033 0.000 1.002 304 F HN 0.138 nan 8.300 nan 0.000 0.472 1003 I N -0.122 120.309 120.570 -0.233 0.000 2.286 1003 I HA -0.112 4.058 4.170 -0.000 0.000 0.248 1003 I C 2.207 178.347 176.117 0.037 0.000 1.115 1003 I CA 1.195 62.515 61.300 0.034 0.000 1.392 1003 I CB -0.183 38.007 38.000 0.316 0.000 1.065 1003 I HN 0.417 nan 8.210 nan 0.000 0.418 1004 F N 2.165 121.996 119.950 -0.198 0.000 2.069 1004 F HA -0.266 4.260 4.527 -0.000 0.000 0.298 1004 F C 2.481 178.005 175.800 -0.461 0.000 1.113 1004 F CA 1.921 59.557 58.000 -0.606 0.000 1.214 1004 F CB -0.352 38.375 39.000 -0.456 0.000 0.978 1004 F HN 0.085 nan 8.300 nan 0.000 0.474 1005 E N 0.138 120.188 120.200 -0.249 0.000 2.204 1005 E HA -0.255 4.095 4.350 -0.000 0.000 0.195 1005 E C 2.321 178.761 176.600 -0.267 0.000 0.990 1005 E CA 1.236 57.474 56.400 -0.270 0.000 0.821 1005 E CB -0.666 28.937 29.700 -0.162 0.000 0.750 1005 E HN 0.539 nan 8.360 nan 0.000 0.477 1006 M N 0.208 119.621 119.600 -0.311 0.000 2.132 1006 M HA -0.127 4.353 4.480 -0.000 0.000 0.263 1006 M C 1.847 178.077 176.300 -0.117 0.000 1.065 1006 M CA 1.228 56.334 55.300 -0.323 0.000 1.122 1006 M CB 0.040 32.381 32.600 -0.431 0.000 1.365 1006 M HN 0.070 nan 8.290 nan 0.000 0.411 1007 L N -0.375 120.752 121.223 -0.160 0.000 2.492 1007 L HA -0.016 4.324 4.340 -0.000 0.000 0.223 1007 L C 2.476 179.198 176.870 -0.248 0.000 1.132 1007 L CA 0.583 55.359 54.840 -0.108 0.000 0.850 1007 L CB -0.440 41.628 42.059 0.015 0.000 0.966 1007 L HN 0.289 nan 8.230 nan 0.000 0.454 1008 R N 0.183 120.447 120.500 -0.394 0.000 2.093 1008 R HA -0.064 4.276 4.340 -0.000 0.000 0.224 1008 R C 2.172 178.370 176.300 -0.171 0.000 1.101 1008 R CA 1.255 57.128 56.100 -0.378 0.000 0.979 1008 R CB -0.110 29.903 30.300 -0.479 0.000 0.877 1008 R HN 0.279 nan 8.270 nan 0.000 0.441 1009 I N 0.871 121.394 120.570 -0.078 0.000 2.315 1009 I HA -0.228 3.942 4.170 -0.000 0.000 0.248 1009 I C 1.450 177.588 176.117 0.036 0.000 1.117 1009 I CA 1.090 62.399 61.300 0.015 0.000 1.404 1009 I CB -0.143 37.941 38.000 0.140 0.000 1.071 1009 I HN 0.188 nan 8.210 nan 0.000 0.419 1010 D N 0.487 120.928 120.400 0.070 0.000 2.154 1010 D HA -0.085 4.555 4.640 -0.000 0.000 0.211 1010 D C 2.106 178.431 176.300 0.042 0.000 0.977 1010 D CA 1.203 55.258 54.000 0.092 0.000 0.869 1010 D CB -0.147 40.761 40.800 0.179 0.000 1.022 1010 D HN 0.288 nan 8.370 nan 0.000 0.461 1011 E N 0.022 120.229 120.200 0.012 0.000 2.190 1011 E HA 0.272 4.622 4.350 -0.000 0.000 0.191 1011 E C 0.580 177.146 176.600 -0.057 0.000 0.978 1011 E CA 0.460 56.858 56.400 -0.004 0.000 0.839 1011 E CB 0.592 30.299 29.700 0.011 0.000 0.787 1011 E HN 0.243 nan 8.360 nan 0.000 0.473 1012 G N 1.748 110.483 108.800 -0.109 0.000 3.039 1012 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.686 1012 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.686 1012 G C -0.974 173.831 174.900 -0.158 0.000 1.066 1012 G CA -0.502 44.517 45.100 -0.135 0.000 0.774 1012 G HN 0.106 nan 8.290 nan 0.000 0.591 1013 L N 2.415 123.536 121.223 -0.172 0.000 2.312 1013 L HA 0.886 5.226 4.340 -0.000 0.000 0.281 1013 L C 0.574 177.401 176.870 -0.073 0.000 1.070 1013 L CA -0.523 54.240 54.840 -0.128 0.000 0.805 1013 L CB 0.886 42.852 42.059 -0.154 0.000 1.174 1013 L HN 0.653 nan 8.230 nan 0.000 0.434 1014 R N 5.640 126.137 120.500 -0.004 0.000 2.500 1014 R HA 0.294 4.634 4.340 -0.000 0.000 0.299 1014 R C 0.299 176.676 176.300 0.129 0.000 1.038 1014 R CA -0.481 55.631 56.100 0.020 0.000 0.903 1014 R CB 1.394 31.619 30.300 -0.124 0.000 1.177 1014 R HN 0.785 nan 8.270 nan 0.000 0.455 1015 L N 1.836 123.114 121.223 0.091 0.000 2.217 1015 L HA -0.049 4.291 4.340 -0.000 0.000 0.211 1015 L C 0.984 177.919 176.870 0.109 0.000 1.107 1015 L CA 1.230 56.126 54.840 0.093 0.000 0.783 1015 L CB -0.320 41.776 42.059 0.062 0.000 0.919 1015 L HN 0.315 nan 8.230 nan 0.000 0.442 1016 K N 1.029 121.504 120.400 0.125 0.000 2.098 1016 K HA 0.452 4.772 4.320 -0.000 0.000 0.261 1016 K C -0.377 176.363 176.600 0.233 0.000 0.987 1016 K CA -0.755 55.615 56.287 0.137 0.000 0.916 1016 K CB 1.703 34.264 32.500 0.102 0.000 1.039 1016 K HN -0.120 nan 8.250 nan 0.000 0.455 1017 I N 2.800 123.479 120.570 0.182 0.000 2.618 1017 I HA 0.031 4.201 4.170 -0.000 0.000 0.284 1017 I C -0.435 175.851 176.117 0.280 0.000 1.146 1017 I CA -0.195 61.215 61.300 0.185 0.000 1.425 1017 I CB -0.308 37.759 38.000 0.111 0.000 1.383 1017 I HN 0.637 nan 8.210 nan 0.000 0.562 1018 Y N 3.477 123.868 120.300 0.151 0.000 2.504 1018 Y HA 0.546 5.096 4.550 -0.000 0.000 0.344 1018 Y C -0.742 175.207 175.900 0.082 0.000 1.023 1018 Y CA -1.507 56.657 58.100 0.108 0.000 1.020 1018 Y CB 0.890 39.389 38.460 0.065 0.000 1.282 1018 Y HN 0.355 nan 8.280 nan 0.000 0.454 1019 K N 4.166 124.608 120.400 0.071 0.000 2.276 1019 K HA 0.109 4.429 4.320 -0.000 0.000 0.283 1019 K C -0.451 176.189 176.600 0.068 0.000 1.044 1019 K CA -0.476 55.741 56.287 -0.116 0.000 0.944 1019 K CB 0.495 32.882 32.500 -0.188 0.000 1.012 1019 K HN 0.892 nan 8.250 nan 0.000 0.472 1020 D N 2.759 123.173 120.400 0.023 0.000 2.384 1020 D HA -0.040 4.600 4.640 -0.000 0.000 0.244 1020 D C 0.836 177.182 176.300 0.076 0.000 1.251 1020 D CA -0.241 53.841 54.000 0.136 0.000 0.961 1020 D CB 0.436 41.299 40.800 0.105 0.000 1.116 1020 D HN 0.551 nan 8.370 nan 0.000 0.484 1021 T N -0.704 113.901 114.554 0.086 0.000 2.685 1021 T HA -0.206 4.144 4.350 -0.000 0.000 0.268 1021 T C 0.824 175.536 174.700 0.019 0.000 1.034 1021 T CA 1.263 63.393 62.100 0.050 0.000 1.149 1021 T CB -0.255 68.645 68.868 0.054 0.000 0.860 1021 T HN 0.451 nan 8.240 nan 0.000 0.449 1022 E N 0.179 120.393 120.200 0.022 0.000 2.248 1022 E HA 0.430 4.780 4.350 -0.000 0.000 0.272 1022 E C 1.353 177.913 176.600 -0.067 0.000 1.008 1022 E CA -0.343 56.049 56.400 -0.012 0.000 0.856 1022 E CB 1.186 30.900 29.700 0.023 0.000 1.120 1022 E HN 0.262 nan 8.360 nan 0.000 0.397 1023 G N 1.697 110.400 108.800 -0.161 0.000 2.631 1023 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.221 1023 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.221 1023 G C 0.326 175.006 174.900 -0.368 0.000 1.095 1023 G CA 0.925 45.860 45.100 -0.275 0.000 0.727 1023 G HN 0.404 nan 8.290 nan 0.000 0.587 1024 Y N -1.623 118.579 120.300 -0.164 0.000 2.296 1024 Y HA 0.364 4.914 4.550 -0.000 0.000 0.343 1024 Y C 0.256 175.992 175.900 -0.274 0.000 1.292 1024 Y CA -0.697 57.305 58.100 -0.164 0.000 1.490 1024 Y CB 0.513 38.929 38.460 -0.073 0.000 1.359 1024 Y HN 0.040 nan 8.280 nan 0.000 0.599 1025 Y N 0.576 120.947 120.300 0.118 0.000 2.350 1025 Y HA 0.319 4.868 4.550 -0.000 0.000 0.340 1025 Y C 0.070 175.894 175.900 -0.127 0.000 1.006 1025 Y CA -0.326 57.756 58.100 -0.031 0.000 1.166 1025 Y CB 1.043 39.496 38.460 -0.011 0.000 1.168 1025 Y HN 0.431 nan 8.280 nan 0.000 0.502 1026 T N 5.144 119.576 114.554 -0.203 0.000 2.907 1026 T HA 0.663 5.012 4.350 -0.000 0.000 0.292 1026 T C -1.292 173.051 174.700 -0.595 0.000 1.043 1026 T CA -0.713 61.148 62.100 -0.398 0.000 1.003 1026 T CB 1.922 70.512 68.868 -0.463 0.000 1.084 1026 T HN 0.524 nan 8.240 nan 0.000 0.483 1027 I N 0.819 121.293 120.570 -0.160 0.000 2.692 1027 I HA 0.556 4.726 4.170 -0.000 0.000 0.293 1027 I C 0.488 176.769 176.117 0.272 0.000 1.200 1027 I CA 0.360 61.731 61.300 0.118 0.000 1.036 1027 I CB 1.157 39.228 38.000 0.118 0.000 1.258 1027 I HN 0.908 nan 8.210 nan 0.000 0.421 1028 G N 6.668 115.676 108.800 0.348 0.000 2.552 1028 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.267 1028 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.267 1028 G C -0.217 174.809 174.900 0.209 0.000 1.174 1028 G CA 0.168 45.411 45.100 0.238 0.000 0.955 1028 G HN 0.705 nan 8.290 nan 0.000 0.546 1029 I N 2.566 123.237 120.570 0.169 0.000 2.503 1029 I HA 0.504 4.674 4.170 -0.000 0.000 0.277 1029 I C 1.266 177.452 176.117 0.116 0.000 1.078 1029 I CA 0.530 61.884 61.300 0.090 0.000 1.184 1029 I CB 0.668 38.620 38.000 -0.081 0.000 1.353 1029 I HN 1.897 nan 8.210 nan 0.000 0.490 1030 G N 3.448 112.337 108.800 0.148 0.000 2.249 1030 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.273 1030 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.273 1030 G C 0.093 175.040 174.900 0.079 0.000 1.036 1030 G CA 0.197 45.352 45.100 0.092 0.000 0.824 1030 G HN 0.807 nan 8.290 nan 0.000 0.504 1031 H N -0.474 118.621 119.070 0.042 0.000 2.820 1031 H HA 0.604 5.159 4.556 -0.000 0.000 0.278 1031 H C 0.741 176.063 175.328 -0.010 0.000 1.142 1031 H CA -0.775 55.288 56.048 0.024 0.000 1.346 1031 H CB 0.326 30.123 29.762 0.059 0.000 1.438 1031 H HN 0.364 nan 8.280 nan 0.000 0.473 1032 L N 4.882 125.893 121.223 -0.354 0.000 2.452 1032 L HA 0.093 4.433 4.340 -0.000 0.000 0.267 1032 L C -0.047 176.615 176.870 -0.347 0.000 1.188 1032 L CA 0.163 54.834 54.840 -0.280 0.000 0.821 1032 L CB 0.550 42.451 42.059 -0.264 0.000 1.102 1032 L HN 0.786 nan 8.230 nan 0.000 0.470 1033 L N 1.385 122.525 121.223 -0.139 0.000 2.777 1033 L HA 0.414 4.753 4.340 -0.000 0.000 0.172 1033 L C 0.551 177.397 176.870 -0.041 0.000 1.179 1033 L CA 0.220 55.025 54.840 -0.059 0.000 0.859 1033 L CB 0.265 42.343 42.059 0.032 0.000 1.269 1033 L HN 0.694 nan 8.230 nan 0.000 0.511 1034 T N -0.791 113.785 114.554 0.037 0.000 2.677 1034 T HA 0.240 4.590 4.350 -0.000 0.000 0.305 1034 T C -2.018 172.867 174.700 0.308 0.000 1.569 1034 T CA -0.886 61.263 62.100 0.082 0.000 0.984 1034 T CB 1.248 70.156 68.868 0.065 0.000 1.629 1034 T HN 0.105 nan 8.240 nan 0.000 0.494 1035 K N 1.738 122.357 120.400 0.364 0.000 2.234 1035 K HA 0.718 5.038 4.320 -0.000 0.000 0.277 1035 K C -0.840 175.896 176.600 0.226 0.000 1.038 1035 K CA -0.555 55.975 56.287 0.404 0.000 0.888 1035 K CB 1.398 34.157 32.500 0.431 0.000 1.091 1035 K HN 0.416 nan 8.250 nan 0.000 0.467 1036 S N 2.880 118.729 115.700 0.248 0.000 2.536 1036 S HA 0.443 4.913 4.470 -0.000 0.000 0.271 1036 S C -2.208 172.526 174.600 0.222 0.000 1.134 1036 S CA -1.057 57.269 58.200 0.210 0.000 0.897 1036 S CB 1.474 64.778 63.200 0.173 0.000 1.094 1036 S HN 0.511 nan 8.310 nan 0.000 0.473 1037 P HA 0.202 nan 4.420 nan 0.000 0.224 1037 P C 0.192 177.574 177.300 0.137 0.000 1.157 1037 P CA 0.383 63.541 63.100 0.097 0.000 0.799 1037 P CB 0.241 31.971 31.700 0.049 0.000 0.809 1038 S N -1.513 114.263 115.700 0.126 0.000 2.732 1038 S HA 0.394 4.864 4.470 -0.000 0.000 0.293 1038 S C 0.773 175.351 174.600 -0.037 0.000 1.159 1038 S CA -0.757 57.494 58.200 0.085 0.000 0.847 1038 S CB 0.420 63.642 63.200 0.036 0.000 1.169 1038 S HN -0.025 nan 8.310 nan 0.000 0.501 1039 L N 1.249 122.417 121.223 -0.092 0.000 2.353 1039 L HA 0.117 4.457 4.340 -0.000 0.000 0.220 1039 L C 1.544 178.300 176.870 -0.191 0.000 1.133 1039 L CA 1.285 55.990 54.840 -0.224 0.000 0.798 1039 L CB -0.747 41.245 42.059 -0.112 0.000 0.922 1039 L HN 0.383 nan 8.230 nan 0.000 0.445 1040 N N 1.677 120.312 118.700 -0.107 0.000 2.104 1040 N HA -0.167 4.573 4.740 -0.000 0.000 0.190 1040 N C 1.822 177.285 175.510 -0.078 0.000 1.024 1040 N CA 1.984 54.991 53.050 -0.072 0.000 0.853 1040 N CB -0.283 38.182 38.487 -0.036 0.000 1.008 1040 N HN 0.625 nan 8.380 nan 0.000 0.424 1041 A N -0.307 122.459 122.820 -0.091 0.000 2.169 1041 A HA 0.480 4.800 4.320 -0.000 0.000 0.210 1041 A C 2.134 179.660 177.584 -0.097 0.000 1.168 1041 A CA 0.779 52.778 52.037 -0.064 0.000 0.813 1041 A CB -0.125 18.867 19.000 -0.014 0.000 0.861 1041 A HN 0.251 nan 8.150 nan 0.000 0.481 1042 A N 0.848 123.529 122.820 -0.231 0.000 1.855 1042 A HA -0.096 4.224 4.320 -0.000 0.000 0.215 1042 A C 2.033 179.531 177.584 -0.144 0.000 1.191 1042 A CA 1.694 53.566 52.037 -0.276 0.000 0.613 1042 A CB -0.392 18.157 19.000 -0.752 0.000 0.829 1042 A HN 0.443 nan 8.150 nan 0.000 0.442 1043 K N 0.211 120.526 120.400 -0.140 0.000 2.148 1043 K HA -0.052 4.267 4.320 -0.000 0.000 0.204 1043 K C 2.302 178.878 176.600 -0.041 0.000 1.050 1043 K CA 1.268 57.511 56.287 -0.073 0.000 0.942 1043 K CB -0.149 32.310 32.500 -0.068 0.000 0.724 1043 K HN 0.429 nan 8.250 nan 0.000 0.446 1044 S N 1.406 117.080 115.700 -0.043 0.000 2.359 1044 S HA -0.154 4.316 4.470 -0.000 0.000 0.224 1044 S C 1.667 176.262 174.600 -0.007 0.000 1.035 1044 S CA 1.345 59.532 58.200 -0.022 0.000 1.018 1044 S CB -0.173 63.014 63.200 -0.022 0.000 0.876 1044 S HN 0.296 nan 8.310 nan 0.000 0.448 1045 E N 0.811 121.010 120.200 -0.002 0.000 2.208 1045 E HA 0.009 4.359 4.350 -0.000 0.000 0.193 1045 E C 2.053 178.676 176.600 0.038 0.000 0.988 1045 E CA 0.308 56.719 56.400 0.018 0.000 0.828 1045 E CB -0.446 29.266 29.700 0.020 0.000 0.763 1045 E HN 0.391 nan 8.360 nan 0.000 0.478 1046 L N 1.618 122.859 121.223 0.030 0.000 2.023 1046 L HA -0.114 4.226 4.340 -0.000 0.000 0.205 1046 L C 1.413 178.295 176.870 0.019 0.000 1.073 1046 L CA 1.944 56.807 54.840 0.038 0.000 0.745 1046 L CB -0.471 41.605 42.059 0.027 0.000 0.900 1046 L HN -0.145 nan 8.230 nan 0.000 0.435 1047 D N -0.425 119.978 120.400 0.006 0.000 2.158 1047 D HA -0.229 4.411 4.640 -0.000 0.000 0.197 1047 D C 2.133 178.435 176.300 0.003 0.000 0.995 1047 D CA 1.445 55.445 54.000 0.001 0.000 0.846 1047 D CB -0.037 40.761 40.800 -0.004 0.000 0.941 1047 D HN 0.329 nan 8.370 nan 0.000 0.456 1048 K N -0.067 120.338 120.400 0.007 0.000 2.062 1048 K HA 0.020 4.339 4.320 -0.000 0.000 0.205 1048 K C 2.017 178.624 176.600 0.011 0.000 1.051 1048 K CA 0.963 57.255 56.287 0.008 0.000 0.941 1048 K CB -0.016 32.490 32.500 0.010 0.000 0.719 1048 K HN 0.075 nan 8.250 nan 0.000 0.440 1049 A N 1.249 124.081 122.820 0.020 0.000 1.972 1049 A HA -0.121 4.199 4.320 -0.000 0.000 0.219 1049 A C 1.910 179.493 177.584 -0.002 0.000 1.169 1049 A CA 1.071 53.120 52.037 0.020 0.000 0.635 1049 A CB -0.366 18.662 19.000 0.046 0.000 0.810 1049 A HN 0.208 nan 8.150 nan 0.000 0.446 1050 I N -1.426 119.141 120.570 -0.006 0.000 2.193 1050 I HA 0.034 4.204 4.170 -0.000 0.000 0.240 1050 I C 2.004 178.114 176.117 -0.011 0.000 1.084 1050 I CA 1.862 63.153 61.300 -0.015 0.000 1.365 1050 I CB -1.763 36.229 38.000 -0.013 0.000 1.064 1050 I HN 0.555 nan 8.210 nan 0.000 0.410 1051 G N 1.800 110.596 108.800 -0.006 0.000 2.143 1051 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.175 1051 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.175 1051 G C 0.367 175.263 174.900 -0.006 0.000 1.004 1051 G CA 0.197 45.294 45.100 -0.006 0.000 0.671 1051 G HN 0.605 nan 8.290 nan 0.000 0.512 1052 R N -1.572 118.925 120.500 -0.006 0.000 2.756 1052 R HA 0.525 4.865 4.340 -0.000 0.000 0.273 1052 R C -0.988 175.309 176.300 -0.005 0.000 1.030 1052 R CA -0.645 55.452 56.100 -0.005 0.000 0.887 1052 R CB -0.039 30.257 30.300 -0.007 0.000 1.274 1052 R HN 0.182 nan 8.270 nan 0.000 0.461 1053 N N 0.384 119.081 118.700 -0.005 0.000 2.452 1053 N HA 0.032 4.772 4.740 -0.000 0.000 0.266 1053 N C 0.683 176.191 175.510 -0.003 0.000 1.175 1053 N CA 0.529 53.576 53.050 -0.004 0.000 0.945 1053 N CB 1.461 39.946 38.487 -0.004 0.000 1.063 1053 N HN 0.671 nan 8.380 nan 0.000 0.472 1054 T N 0.663 115.215 114.554 -0.003 0.000 2.953 1054 T HA 0.052 4.402 4.350 -0.000 0.000 0.247 1054 T C 0.852 175.552 174.700 0.001 0.000 1.029 1054 T CA 0.417 62.517 62.100 -0.000 0.000 1.144 1054 T CB -0.407 68.462 68.868 0.002 0.000 0.870 1054 T HN 0.728 nan 8.240 nan 0.000 0.446 1055 N N 1.103 119.801 118.700 -0.003 0.000 2.776 1055 N HA -0.226 4.514 4.740 -0.000 0.000 0.250 1055 N C 0.915 176.425 175.510 0.001 0.000 1.112 1055 N CA 0.914 53.962 53.050 -0.003 0.000 0.733 1055 N CB -1.527 36.960 38.487 -0.001 0.000 1.097 1055 N HN 1.146 nan 8.380 nan 0.000 0.558 1056 G N -1.860 106.941 108.800 0.001 0.000 2.179 1056 G HA2 -0.279 3.680 3.960 -0.000 0.000 0.260 1056 G HA3 -0.279 3.680 3.960 -0.000 0.000 0.260 1056 G C -0.096 174.820 174.900 0.027 0.000 0.977 1056 G CA 0.488 45.593 45.100 0.010 0.000 0.641 1056 G HN 0.590 nan 8.290 nan 0.000 0.533 1057 V N 1.195 121.122 119.914 0.022 0.000 2.604 1057 V HA 0.851 4.971 4.120 -0.000 0.000 0.305 1057 V C 0.343 176.451 176.094 0.023 0.000 1.043 1057 V CA -0.381 61.935 62.300 0.027 0.000 0.888 1057 V CB 1.700 33.535 31.823 0.020 0.000 0.995 1057 V HN 0.832 nan 8.190 nan 0.000 0.429 1058 I N 0.752 121.340 120.570 0.029 0.000 3.095 1058 I HA 0.929 5.099 4.170 -0.000 0.000 0.310 1058 I C 0.038 176.170 176.117 0.025 0.000 1.196 1058 I CA -0.572 60.741 61.300 0.022 0.000 0.985 1058 I CB 2.457 40.470 38.000 0.021 0.000 1.250 1058 I HN 0.658 nan 8.210 nan 0.000 0.446 1059 T N -1.272 113.290 114.554 0.013 0.000 2.889 1059 T HA 0.484 4.834 4.350 -0.000 0.000 0.278 1059 T C 0.670 175.376 174.700 0.010 0.000 0.995 1059 T CA -0.692 61.416 62.100 0.013 0.000 0.966 1059 T CB 1.516 70.385 68.868 0.001 0.000 1.237 1059 T HN 0.724 nan 8.240 nan 0.000 0.591 1060 K N 0.051 120.455 120.400 0.007 0.000 2.147 1060 K HA -0.137 4.183 4.320 -0.000 0.000 0.205 1060 K C 1.915 178.440 176.600 -0.125 0.000 1.049 1060 K CA 1.370 57.647 56.287 -0.016 0.000 0.936 1060 K CB -0.209 32.288 32.500 -0.004 0.000 0.722 1060 K HN 0.599 nan 8.250 nan 0.000 0.446 1061 D N 1.081 121.424 120.400 -0.095 0.000 2.104 1061 D HA -0.174 4.466 4.640 -0.000 0.000 0.194 1061 D C 1.468 177.707 176.300 -0.103 0.000 0.994 1061 D CA 1.477 55.413 54.000 -0.107 0.000 0.830 1061 D CB 0.303 41.064 40.800 -0.066 0.000 0.959 1061 D HN 0.192 nan 8.370 nan 0.000 0.452 1062 E N 0.136 120.296 120.200 -0.067 0.000 2.076 1062 E HA 0.038 4.388 4.350 -0.000 0.000 0.190 1062 E C 2.050 178.614 176.600 -0.059 0.000 0.979 1062 E CA 0.918 57.284 56.400 -0.056 0.000 0.807 1062 E CB -0.209 29.471 29.700 -0.034 0.000 0.761 1062 E HN 0.258 nan 8.360 nan 0.000 0.454 1063 A N 0.960 123.763 122.820 -0.029 0.000 1.933 1063 A HA -0.258 4.062 4.320 -0.000 0.000 0.218 1063 A C 2.097 179.714 177.584 0.054 0.000 1.175 1063 A CA 1.726 53.790 52.037 0.045 0.000 0.628 1063 A CB -0.421 18.667 19.000 0.146 0.000 0.814 1063 A HN 0.245 nan 8.150 nan 0.000 0.444 1064 E N -0.223 119.852 120.200 -0.209 0.000 2.107 1064 E HA -0.133 4.217 4.350 -0.000 0.000 0.191 1064 E C 1.862 178.416 176.600 -0.077 0.000 0.982 1064 E CA 0.968 57.120 56.400 -0.412 0.000 0.809 1064 E CB -0.061 29.119 29.700 -0.865 0.000 0.756 1064 E HN 0.556 nan 8.360 nan 0.000 0.459 1065 K N 0.026 120.374 120.400 -0.086 0.000 2.280 1065 K HA -0.109 4.211 4.320 -0.000 0.000 0.202 1065 K C 1.989 178.571 176.600 -0.030 0.000 1.047 1065 K CA 0.700 56.959 56.287 -0.045 0.000 0.942 1065 K CB 0.085 32.550 32.500 -0.058 0.000 0.739 1065 K HN 0.232 nan 8.250 nan 0.000 0.457 1066 L N -0.884 120.305 121.223 -0.057 0.000 2.202 1066 L HA -0.043 4.297 4.340 -0.000 0.000 0.205 1066 L C 2.142 179.035 176.870 0.039 0.000 1.083 1066 L CA 0.422 55.151 54.840 -0.184 0.000 0.790 1066 L CB -0.281 41.478 42.059 -0.499 0.000 0.942 1066 L HN 0.044 nan 8.230 nan 0.000 0.452 1067 F N 1.568 121.532 119.950 0.024 0.000 2.171 1067 F HA -0.194 4.333 4.527 -0.000 0.000 0.300 1067 F C 2.281 178.169 175.800 0.146 0.000 1.090 1067 F CA 1.459 59.532 58.000 0.122 0.000 1.293 1067 F CB -0.196 38.966 39.000 0.271 0.000 1.013 1067 F HN 0.110 nan 8.300 nan 0.000 0.486 1068 N N 0.491 119.293 118.700 0.169 0.000 2.166 1068 N HA -0.190 4.549 4.740 -0.000 0.000 0.186 1068 N C 1.757 177.287 175.510 0.033 0.000 1.019 1068 N CA 1.556 54.655 53.050 0.082 0.000 0.856 1068 N CB -0.563 37.972 38.487 0.080 0.000 0.993 1068 N HN 0.516 nan 8.380 nan 0.000 0.426 1069 Q N 0.287 120.116 119.800 0.049 0.000 2.046 1069 Q HA -0.074 4.266 4.340 -0.000 0.000 0.200 1069 Q C 1.019 177.062 176.000 0.072 0.000 0.975 1069 Q CA 1.056 56.896 55.803 0.062 0.000 0.836 1069 Q CB 0.009 28.804 28.738 0.094 0.000 0.896 1069 Q HN 0.369 nan 8.270 nan 0.000 0.428 1070 D N -0.086 120.372 120.400 0.096 0.000 2.219 1070 D HA -0.095 4.545 4.640 -0.000 0.000 0.205 1070 D C 1.920 178.334 176.300 0.191 0.000 0.970 1070 D CA 0.767 54.859 54.000 0.154 0.000 0.851 1070 D CB 0.153 41.045 40.800 0.154 0.000 0.943 1070 D HN 0.064 nan 8.370 nan 0.000 0.488 1071 V N 1.080 121.022 119.914 0.047 0.000 2.323 1071 V HA -0.201 3.919 4.120 -0.000 0.000 0.244 1071 V C 2.166 178.232 176.094 -0.046 0.000 1.041 1071 V CA 1.594 63.884 62.300 -0.016 0.000 1.025 1071 V CB -0.352 31.420 31.823 -0.086 0.000 0.656 1071 V HN 0.048 nan 8.190 nan 0.000 0.451 1072 D N 0.485 120.877 120.400 -0.013 0.000 2.123 1072 D HA -0.173 4.467 4.640 -0.000 0.000 0.196 1072 D C 2.091 178.368 176.300 -0.039 0.000 0.992 1072 D CA 1.658 55.649 54.000 -0.015 0.000 0.833 1072 D CB -0.115 40.689 40.800 0.006 0.000 0.954 1072 D HN 0.375 nan 8.370 nan 0.000 0.455 1073 A N 0.143 122.948 122.820 -0.025 0.000 1.930 1073 A HA 0.116 4.436 4.320 -0.000 0.000 0.217 1073 A C 2.311 179.841 177.584 -0.090 0.000 1.175 1073 A CA 1.976 53.990 52.037 -0.037 0.000 0.627 1073 A CB -0.816 18.183 19.000 -0.003 0.000 0.815 1073 A HN 0.311 nan 8.150 nan 0.000 0.443 1074 A N -0.532 122.202 122.820 -0.143 0.000 1.872 1074 A HA 0.071 4.391 4.320 -0.000 0.000 0.214 1074 A C 2.212 179.640 177.584 -0.260 0.000 1.187 1074 A CA 1.592 53.472 52.037 -0.261 0.000 0.614 1074 A CB -0.919 17.771 19.000 -0.516 0.000 0.826 1074 A HN 0.341 nan 8.150 nan 0.000 0.442 1075 V N 0.217 119.990 119.914 -0.235 0.000 2.255 1075 V HA -0.292 3.828 4.120 -0.000 0.000 0.247 1075 V C 2.629 178.565 176.094 -0.262 0.000 1.051 1075 V CA 2.321 64.443 62.300 -0.297 0.000 1.018 1075 V CB -0.876 30.849 31.823 -0.163 0.000 0.641 1075 V HN 0.512 nan 8.190 nan 0.000 0.445 1076 R N 0.052 120.460 120.500 -0.153 0.000 2.105 1076 R HA -0.136 4.204 4.340 -0.000 0.000 0.239 1076 R C 2.415 178.642 176.300 -0.120 0.000 1.135 1076 R CA 1.498 57.531 56.100 -0.112 0.000 0.967 1076 R CB -0.757 29.502 30.300 -0.068 0.000 0.861 1076 R HN 0.620 nan 8.270 nan 0.000 0.442 1077 G N 0.615 109.334 108.800 -0.134 0.000 2.403 1077 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.216 1077 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.216 1077 G C 1.408 176.222 174.900 -0.143 0.000 1.154 1077 G CA 0.305 45.332 45.100 -0.122 0.000 0.784 1077 G HN 0.156 nan 8.290 nan 0.000 0.538 1078 I N 0.303 120.744 120.570 -0.216 0.000 2.252 1078 I HA -0.067 4.102 4.170 -0.000 0.000 0.245 1078 I C 2.571 178.564 176.117 -0.207 0.000 1.102 1078 I CA 0.598 61.750 61.300 -0.246 0.000 1.385 1078 I CB -0.091 37.655 38.000 -0.424 0.000 1.064 1078 I HN 0.104 nan 8.210 nan 0.000 0.414 1079 L N -0.029 121.061 121.223 -0.221 0.000 2.093 1079 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 1079 L C 2.572 179.400 176.870 -0.070 0.000 1.085 1079 L CA 1.276 56.039 54.840 -0.128 0.000 0.755 1079 L CB -0.516 41.477 42.059 -0.109 0.000 0.904 1079 L HN 0.118 nan 8.230 nan 0.000 0.435 1080 R N -0.435 120.022 120.500 -0.072 0.000 2.189 1080 R HA -0.019 4.321 4.340 -0.000 0.000 0.218 1080 R C 0.945 177.221 176.300 -0.040 0.000 1.074 1080 R CA 0.057 56.129 56.100 -0.047 0.000 0.991 1080 R CB -0.228 30.045 30.300 -0.046 0.000 0.883 1080 R HN 0.322 nan 8.270 nan 0.000 0.457 1081 N N 0.647 119.317 118.700 -0.049 0.000 2.475 1081 N HA 0.003 4.743 4.740 -0.000 0.000 0.267 1081 N C 0.447 175.943 175.510 -0.022 0.000 1.169 1081 N CA 0.032 53.060 53.050 -0.037 0.000 0.947 1081 N CB 1.448 39.908 38.487 -0.045 0.000 1.061 1081 N HN 0.106 nan 8.380 nan 0.000 0.466 1082 A N 4.834 127.645 122.820 -0.014 0.000 2.014 1082 A HA -0.087 4.233 4.320 -0.000 0.000 0.218 1082 A C 2.024 179.608 177.584 -0.000 0.000 1.163 1082 A CA 1.115 53.148 52.037 -0.006 0.000 0.652 1082 A CB 0.009 19.005 19.000 -0.006 0.000 0.808 1082 A HN 0.744 nan 8.150 nan 0.000 0.449 1083 K N -0.626 119.773 120.400 -0.002 0.000 2.044 1083 K HA 0.098 4.417 4.320 -0.000 0.000 0.204 1083 K C 1.750 178.359 176.600 0.015 0.000 1.049 1083 K CA 1.123 57.413 56.287 0.005 0.000 0.945 1083 K CB -0.244 32.258 32.500 0.002 0.000 0.724 1083 K HN 0.432 nan 8.250 nan 0.000 0.440 1084 L N 1.037 122.267 121.223 0.013 0.000 2.179 1084 L HA -0.065 4.275 4.340 -0.000 0.000 0.208 1084 L C 2.509 179.416 176.870 0.063 0.000 1.096 1084 L CA 0.852 55.710 54.840 0.030 0.000 0.779 1084 L CB -0.250 41.808 42.059 -0.001 0.000 0.922 1084 L HN 0.096 nan 8.230 nan 0.000 0.443 1085 K N 0.553 120.975 120.400 0.037 0.000 2.044 1085 K HA -0.177 4.142 4.320 -0.000 0.000 0.210 1085 K C -0.495 176.169 176.600 0.106 0.000 1.049 1085 K CA 1.775 58.102 56.287 0.067 0.000 0.927 1085 K CB -0.880 31.637 32.500 0.028 0.000 0.713 1085 K HN 0.208 nan 8.250 nan 0.000 0.443 1086 P HA -0.101 nan 4.420 nan 0.000 0.218 1086 P C 1.552 178.895 177.300 0.071 0.000 1.149 1086 P CA 1.054 64.190 63.100 0.059 0.000 0.817 1086 P CB -0.014 31.705 31.700 0.032 0.000 0.785 1087 V N -0.675 119.288 119.914 0.082 0.000 2.270 1087 V HA -0.251 3.868 4.120 -0.000 0.000 0.245 1087 V C 2.642 178.816 176.094 0.135 0.000 1.043 1087 V CA 1.735 64.088 62.300 0.088 0.000 1.014 1087 V CB -1.701 30.166 31.823 0.074 0.000 0.645 1087 V HN -0.045 nan 8.190 nan 0.000 0.447 1088 Y N 1.456 121.782 120.300 0.043 0.000 2.081 1088 Y HA -0.285 4.264 4.550 -0.000 0.000 0.280 1088 Y C 2.529 178.461 175.900 0.053 0.000 1.163 1088 Y CA 2.190 60.320 58.100 0.051 0.000 1.135 1088 Y CB -0.433 38.045 38.460 0.030 0.000 0.970 1088 Y HN 0.309 nan 8.280 nan 0.000 0.498 1089 D N -0.835 119.645 120.400 0.134 0.000 2.144 1089 D HA -0.178 4.461 4.640 -0.000 0.000 0.199 1089 D C 2.390 178.691 176.300 0.002 0.000 0.984 1089 D CA 1.778 55.809 54.000 0.051 0.000 0.834 1089 D CB -0.374 40.480 40.800 0.091 0.000 0.955 1089 D HN 0.517 nan 8.370 nan 0.000 0.465 1090 S N 0.167 115.885 115.700 0.029 0.000 2.406 1090 S HA -0.071 4.399 4.470 -0.000 0.000 0.228 1090 S C 1.306 175.942 174.600 0.060 0.000 1.020 1090 S CA 0.086 58.311 58.200 0.042 0.000 0.965 1090 S CB -0.464 62.765 63.200 0.048 0.000 0.798 1090 S HN 0.118 nan 8.310 nan 0.000 0.488 1091 L N 2.975 124.221 121.223 0.039 0.000 2.461 1091 L HA 0.227 4.567 4.340 -0.000 0.000 0.272 1091 L C 0.344 177.181 176.870 -0.055 0.000 1.197 1091 L CA -0.394 54.473 54.840 0.045 0.000 0.836 1091 L CB 0.117 42.195 42.059 0.032 0.000 1.105 1091 L HN 0.455 nan 8.230 nan 0.000 0.477 1092 D N 1.074 121.441 120.400 -0.054 0.000 2.377 1092 D HA 0.313 4.953 4.640 -0.000 0.000 0.245 1092 D C 0.945 177.164 176.300 -0.135 0.000 1.196 1092 D CA -0.049 53.896 54.000 -0.092 0.000 0.962 1092 D CB 0.926 41.663 40.800 -0.106 0.000 1.127 1092 D HN 0.530 nan 8.370 nan 0.000 0.471 1093 A N 0.660 123.419 122.820 -0.103 0.000 1.884 1093 A HA -0.233 4.087 4.320 -0.000 0.000 0.219 1093 A C 2.167 179.696 177.584 -0.091 0.000 1.197 1093 A CA 2.262 54.259 52.037 -0.067 0.000 0.637 1093 A CB -1.344 17.657 19.000 0.001 0.000 0.827 1093 A HN 0.481 nan 8.150 nan 0.000 0.450 1094 V N -0.372 119.414 119.914 -0.213 0.000 2.343 1094 V HA -0.255 3.865 4.120 -0.000 0.000 0.247 1094 V C 2.570 178.374 176.094 -0.483 0.000 1.051 1094 V CA 2.240 64.232 62.300 -0.515 0.000 1.036 1094 V CB -0.878 30.453 31.823 -0.820 0.000 0.654 1094 V HN 0.512 nan 8.190 nan 0.000 0.451 1095 R N -0.489 119.804 120.500 -0.345 0.000 2.148 1095 R HA -0.020 4.320 4.340 -0.000 0.000 0.223 1095 R C 2.562 178.804 176.300 -0.097 0.000 1.088 1095 R CA 0.816 56.769 56.100 -0.245 0.000 0.985 1095 R CB -0.223 30.006 30.300 -0.118 0.000 0.880 1095 R HN 0.487 nan 8.270 nan 0.000 0.451 1096 R N 0.147 120.580 120.500 -0.110 0.000 2.075 1096 R HA -0.044 4.296 4.340 -0.000 0.000 0.232 1096 R C 2.245 178.585 176.300 0.066 0.000 1.126 1096 R CA 1.344 57.398 56.100 -0.077 0.000 0.963 1096 R CB -0.251 29.857 30.300 -0.319 0.000 0.858 1096 R HN 0.157 nan 8.270 nan 0.000 0.435 1097 A N 1.045 123.882 122.820 0.029 0.000 1.972 1097 A HA -0.093 4.227 4.320 -0.000 0.000 0.219 1097 A C 2.286 179.881 177.584 0.018 0.000 1.169 1097 A CA 1.620 53.726 52.037 0.114 0.000 0.635 1097 A CB -0.425 18.741 19.000 0.277 0.000 0.810 1097 A HN 0.402 nan 8.150 nan 0.000 0.446 1098 A N -0.792 121.902 122.820 -0.211 0.000 1.930 1098 A HA 0.061 4.381 4.320 -0.000 0.000 0.217 1098 A C 2.084 179.503 177.584 -0.274 0.000 1.175 1098 A CA 1.531 53.296 52.037 -0.453 0.000 0.627 1098 A CB -0.451 17.845 19.000 -1.174 0.000 0.815 1098 A HN 0.529 nan 8.150 nan 0.000 0.443 1099 L N -0.328 120.903 121.223 0.013 0.000 2.072 1099 L HA 0.014 4.354 4.340 -0.000 0.000 0.205 1099 L C 2.178 179.112 176.870 0.107 0.000 1.079 1099 L CA 1.427 56.435 54.840 0.279 0.000 0.752 1099 L CB -0.320 41.976 42.059 0.395 0.000 0.906 1099 L HN 0.394 nan 8.230 nan 0.000 0.436 1100 I N -0.272 120.343 120.570 0.076 0.000 2.286 1100 I HA -0.297 3.873 4.170 -0.000 0.000 0.248 1100 I C 2.334 178.415 176.117 -0.059 0.000 1.115 1100 I CA 1.127 62.391 61.300 -0.060 0.000 1.392 1100 I CB -0.534 37.462 38.000 -0.006 0.000 1.065 1100 I HN 0.411 nan 8.210 nan 0.000 0.418 1101 N N 1.121 119.886 118.700 0.108 0.000 2.084 1101 N HA -0.187 4.553 4.740 -0.000 0.000 0.190 1101 N C 1.946 177.559 175.510 0.172 0.000 1.030 1101 N CA 1.700 54.885 53.050 0.225 0.000 0.849 1101 N CB -0.079 38.530 38.487 0.203 0.000 1.012 1101 N HN 0.296 nan 8.380 nan 0.000 0.423 1102 M N -0.072 119.565 119.600 0.063 0.000 2.159 1102 M HA -0.118 4.362 4.480 -0.000 0.000 0.263 1102 M C 2.124 178.382 176.300 -0.070 0.000 1.063 1102 M CA 0.898 56.156 55.300 -0.070 0.000 1.110 1102 M CB 0.003 32.489 32.600 -0.191 0.000 1.374 1102 M HN -0.053 nan 8.290 nan 0.000 0.411 1103 V N -0.312 119.550 119.914 -0.088 0.000 2.343 1103 V HA -0.257 3.862 4.120 -0.000 0.000 0.247 1103 V C 1.983 178.022 176.094 -0.091 0.000 1.051 1103 V CA 1.884 64.096 62.300 -0.148 0.000 1.036 1103 V CB -0.741 30.924 31.823 -0.263 0.000 0.654 1103 V HN 0.373 nan 8.190 nan 0.000 0.451 1104 F N -0.264 119.705 119.950 0.031 0.000 2.234 1104 F HA -0.199 4.328 4.527 -0.000 0.000 0.299 1104 F C 2.644 178.485 175.800 0.068 0.000 1.087 1104 F CA 1.694 59.725 58.000 0.051 0.000 1.340 1104 F CB -0.042 39.009 39.000 0.085 0.000 1.031 1104 F HN 0.149 nan 8.300 nan 0.000 0.500 1105 Q N -0.044 119.900 119.800 0.241 0.000 2.062 1105 Q HA -0.116 4.224 4.340 -0.000 0.000 0.196 1105 Q C 1.948 178.025 176.000 0.128 0.000 0.967 1105 Q CA 1.266 57.185 55.803 0.192 0.000 0.832 1105 Q CB 0.181 29.051 28.738 0.220 0.000 0.899 1105 Q HN 0.409 nan 8.270 nan 0.000 0.442 1106 M N -1.739 117.896 119.600 0.058 0.000 2.838 1106 M HA 0.311 4.791 4.480 -0.000 0.000 0.251 1106 M C 0.543 176.862 176.300 0.032 0.000 1.393 1106 M CA 0.645 55.968 55.300 0.039 0.000 1.196 1106 M CB 1.594 34.188 32.600 -0.011 0.000 1.276 1106 M HN 0.190 nan 8.290 nan 0.000 0.541 1107 G N 1.661 110.464 108.800 0.005 0.000 2.576 1107 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.686 1107 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.686 1107 G C 0.138 175.018 174.900 -0.033 0.000 1.242 1107 G CA -0.138 44.954 45.100 -0.013 0.000 0.819 1107 G HN 0.527 nan 8.290 nan 0.000 0.655 1108 E N -0.289 119.878 120.200 -0.055 0.000 2.114 1108 E HA -0.275 4.075 4.350 -0.000 0.000 0.199 1108 E C 2.123 178.708 176.600 -0.026 0.000 1.008 1108 E CA 2.127 58.495 56.400 -0.055 0.000 0.810 1108 E CB -0.383 29.272 29.700 -0.074 0.000 0.739 1108 E HN 0.812 nan 8.360 nan 0.000 0.456 1109 T N -0.011 114.531 114.554 -0.020 0.000 2.720 1109 T HA -0.101 4.249 4.350 -0.000 0.000 0.268 1109 T C 1.885 176.582 174.700 -0.006 0.000 1.037 1109 T CA 1.934 64.025 62.100 -0.014 0.000 1.144 1109 T CB -0.705 68.155 68.868 -0.013 0.000 0.864 1109 T HN 0.409 nan 8.240 nan 0.000 0.444 1110 G N 0.551 109.355 108.800 0.007 0.000 2.414 1110 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.215 1110 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.215 1110 G C 1.724 176.684 174.900 0.101 0.000 1.188 1110 G CA 1.050 46.167 45.100 0.029 0.000 0.783 1110 G HN 0.498 nan 8.290 nan 0.000 0.537 1111 V N 1.766 121.736 119.914 0.092 0.000 2.392 1111 V HA -0.140 3.980 4.120 -0.000 0.000 0.249 1111 V C 3.266 179.452 176.094 0.152 0.000 1.059 1111 V CA 1.869 64.249 62.300 0.133 0.000 1.051 1111 V CB -0.982 30.842 31.823 0.003 0.000 0.658 1111 V HN 0.454 nan 8.190 nan 0.000 0.455 1112 A N 0.714 123.572 122.820 0.063 0.000 2.121 1112 A HA 0.005 4.325 4.320 -0.000 0.000 0.218 1112 A C 2.353 179.947 177.584 0.016 0.000 1.154 1112 A CA 1.530 53.587 52.037 0.033 0.000 0.679 1112 A CB -0.934 18.067 19.000 0.003 0.000 0.795 1112 A HN 0.536 nan 8.150 nan 0.000 0.458 1113 G N -0.840 107.950 108.800 -0.017 0.000 2.408 1113 G HA2 -0.062 3.897 3.960 -0.000 0.000 0.217 1113 G HA3 -0.062 3.897 3.960 -0.000 0.000 0.217 1113 G C 0.565 175.357 174.900 -0.180 0.000 1.150 1113 G CA 0.267 45.281 45.100 -0.142 0.000 0.776 1113 G HN 0.432 nan 8.290 nan 0.000 0.542 1114 F N 2.693 122.625 119.950 -0.031 0.000 2.626 1114 F HA 0.187 4.714 4.527 -0.000 0.000 0.374 1114 F C 2.024 177.805 175.800 -0.032 0.000 1.184 1114 F CA -0.063 57.922 58.000 -0.026 0.000 1.339 1114 F CB -0.582 38.395 39.000 -0.039 0.000 1.730 1114 F HN -0.065 nan 8.300 nan 0.000 0.650 1115 T N -0.581 114.012 114.554 0.065 0.000 2.580 1115 T HA -0.271 4.079 4.350 -0.000 0.000 0.265 1115 T C 2.075 176.796 174.700 0.035 0.000 1.063 1115 T CA 1.762 63.882 62.100 0.033 0.000 1.170 1115 T CB -0.161 68.708 68.868 0.001 0.000 0.863 1115 T HN 0.446 nan 8.240 nan 0.000 0.418 1116 N N 1.273 119.995 118.700 0.037 0.000 2.036 1116 N HA -0.103 4.637 4.740 -0.000 0.000 0.195 1116 N C 2.244 177.767 175.510 0.021 0.000 1.037 1116 N CA 1.593 54.657 53.050 0.024 0.000 0.855 1116 N CB -0.501 38.004 38.487 0.029 0.000 1.033 1116 N HN 0.310 nan 8.380 nan 0.000 0.423 1117 S N 1.599 117.334 115.700 0.058 0.000 2.370 1117 S HA -0.059 4.410 4.470 -0.000 0.000 0.226 1117 S C 2.253 176.823 174.600 -0.050 0.000 1.033 1117 S CA 0.819 59.029 58.200 0.016 0.000 1.011 1117 S CB -0.345 62.889 63.200 0.057 0.000 0.852 1117 S HN 0.239 nan 8.310 nan 0.000 0.457 1118 L N 0.741 121.954 121.223 -0.017 0.000 2.027 1118 L HA -0.061 4.279 4.340 -0.000 0.000 0.206 1118 L C 2.763 179.608 176.870 -0.042 0.000 1.074 1118 L CA 1.290 56.107 54.840 -0.038 0.000 0.745 1118 L CB -0.384 41.678 42.059 0.005 0.000 0.898 1118 L HN 0.214 nan 8.230 nan 0.000 0.433 1119 R N -0.155 120.327 120.500 -0.031 0.000 2.120 1119 R HA -0.153 4.187 4.340 -0.000 0.000 0.234 1119 R C 2.315 178.568 176.300 -0.078 0.000 1.123 1119 R CA 1.345 57.419 56.100 -0.043 0.000 0.975 1119 R CB -0.086 30.195 30.300 -0.032 0.000 0.866 1119 R HN 0.288 nan 8.270 nan 0.000 0.446 1120 M N -0.049 119.500 119.600 -0.085 0.000 2.175 1120 M HA -0.150 4.330 4.480 -0.000 0.000 0.264 1120 M C 2.006 178.184 176.300 -0.203 0.000 1.063 1120 M CA 1.473 56.697 55.300 -0.127 0.000 1.119 1120 M CB -0.029 32.518 32.600 -0.088 0.000 1.377 1120 M HN 0.177 nan 8.290 nan 0.000 0.415 1121 L N -0.628 120.510 121.223 -0.143 0.000 2.056 1121 L HA -0.212 4.128 4.340 -0.000 0.000 0.207 1121 L C 2.608 179.401 176.870 -0.128 0.000 1.078 1121 L CA 1.293 56.084 54.840 -0.083 0.000 0.749 1121 L CB -0.667 41.380 42.059 -0.020 0.000 0.901 1121 L HN 0.382 nan 8.230 nan 0.000 0.433 1122 Q N -0.015 119.733 119.800 -0.088 0.000 2.124 1122 Q HA -0.244 4.096 4.340 -0.000 0.000 0.202 1122 Q C 1.903 177.827 176.000 -0.126 0.000 0.977 1122 Q CA 1.484 57.249 55.803 -0.064 0.000 0.850 1122 Q CB 0.116 28.831 28.738 -0.038 0.000 0.901 1122 Q HN 0.556 nan 8.270 nan 0.000 0.429 1123 Q N -0.445 119.240 119.800 -0.190 0.000 2.360 1123 Q HA 0.044 4.384 4.340 -0.000 0.000 0.202 1123 Q C -0.438 175.338 176.000 -0.373 0.000 0.915 1123 Q CA 0.037 55.710 55.803 -0.217 0.000 0.943 1123 Q CB 0.563 29.199 28.738 -0.170 0.000 1.064 1123 Q HN 0.183 nan 8.270 nan 0.000 0.511 1124 K N 0.361 120.374 120.400 -0.644 0.000 3.129 1124 K HA -0.199 4.121 4.320 -0.000 0.000 0.273 1124 K C -0.646 175.162 176.600 -1.320 0.000 1.123 1124 K CA 0.573 56.054 56.287 -1.343 0.000 0.800 1124 K CB -1.221 30.811 32.500 -0.779 0.000 1.238 1124 K HN 0.279 nan 8.250 nan 0.000 0.492 1125 R N 0.207 120.226 120.500 -0.801 0.000 4.231 1125 R HA 0.086 4.426 4.340 -0.000 0.000 0.250 1125 R C 0.804 176.948 176.300 -0.259 0.000 1.600 1125 R CA -0.336 55.502 56.100 -0.435 0.000 1.523 1125 R CB -0.259 29.898 30.300 -0.238 0.000 1.422 1125 R HN 0.286 nan 8.270 nan 0.000 0.759 1126 W N 0.664 121.955 121.300 -0.014 0.000 2.302 1126 W HA -0.266 4.394 4.660 -0.000 0.000 0.320 1126 W C 1.266 177.786 176.519 0.001 0.000 1.241 1126 W CA 0.739 58.082 57.345 -0.002 0.000 1.264 1126 W CB -0.213 29.256 29.460 0.017 0.000 1.154 1126 W HN 0.310 nan 8.180 nan 0.000 0.483 1127 D N 0.039 120.560 120.400 0.202 0.000 2.144 1127 D HA -0.158 4.482 4.640 -0.000 0.000 0.199 1127 D C 1.815 178.153 176.300 0.065 0.000 0.984 1127 D CA 1.598 55.667 54.000 0.114 0.000 0.834 1127 D CB -0.601 40.247 40.800 0.079 0.000 0.955 1127 D HN 0.328 nan 8.370 nan 0.000 0.465 1128 E N 0.337 120.557 120.200 0.032 0.000 2.077 1128 E HA -0.106 4.244 4.350 -0.000 0.000 0.193 1128 E C 2.074 178.684 176.600 0.018 0.000 0.989 1128 E CA 1.030 57.434 56.400 0.008 0.000 0.800 1128 E CB -0.073 29.612 29.700 -0.025 0.000 0.746 1128 E HN 0.227 nan 8.360 nan 0.000 0.452 1129 A N 1.261 124.097 122.820 0.026 0.000 1.969 1129 A HA -0.007 4.313 4.320 -0.000 0.000 0.218 1129 A C 2.320 179.933 177.584 0.049 0.000 1.169 1129 A CA 1.384 53.432 52.037 0.018 0.000 0.635 1129 A CB -0.385 18.610 19.000 -0.008 0.000 0.810 1129 A HN 0.276 nan 8.150 nan 0.000 0.445 1130 A N -0.513 122.359 122.820 0.087 0.000 1.930 1130 A HA 0.066 4.386 4.320 -0.000 0.000 0.217 1130 A C 2.159 179.765 177.584 0.036 0.000 1.175 1130 A CA 1.665 53.760 52.037 0.096 0.000 0.627 1130 A CB -0.688 18.378 19.000 0.110 0.000 0.815 1130 A HN 0.358 nan 8.150 nan 0.000 0.443 1131 V N 0.556 120.480 119.914 0.017 0.000 2.379 1131 V HA -0.198 3.922 4.120 -0.000 0.000 0.245 1131 V C 2.173 178.262 176.094 -0.008 0.000 1.044 1131 V CA 2.071 64.359 62.300 -0.020 0.000 1.036 1131 V CB -1.109 30.707 31.823 -0.012 0.000 0.664 1131 V HN 0.524 nan 8.190 nan 0.000 0.453 1132 N N 0.325 119.043 118.700 0.031 0.000 2.166 1132 N HA -0.092 4.648 4.740 -0.000 0.000 0.186 1132 N C 1.644 177.229 175.510 0.126 0.000 1.019 1132 N CA 1.245 54.338 53.050 0.071 0.000 0.856 1132 N CB -0.312 38.220 38.487 0.075 0.000 0.993 1132 N HN 0.395 nan 8.380 nan 0.000 0.426 1133 L N -0.567 120.723 121.223 0.112 0.000 2.240 1133 L HA 0.103 4.443 4.340 -0.000 0.000 0.211 1133 L C 2.134 179.088 176.870 0.140 0.000 1.106 1133 L CA 0.545 55.499 54.840 0.190 0.000 0.793 1133 L CB -0.273 41.937 42.059 0.252 0.000 0.927 1133 L HN 0.148 nan 8.230 nan 0.000 0.446 1134 A N -0.362 122.411 122.820 -0.077 0.000 1.968 1134 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 1134 A C 1.649 179.024 177.584 -0.347 0.000 1.169 1134 A CA 0.855 52.602 52.037 -0.483 0.000 0.638 1134 A CB -0.160 18.508 19.000 -0.553 0.000 0.812 1134 A HN 0.178 nan 8.150 nan 0.000 0.446 1135 K N 1.291 121.638 120.400 -0.089 0.000 2.363 1135 K HA 0.292 4.612 4.320 -0.000 0.000 0.240 1135 K C -0.726 175.953 176.600 0.132 0.000 1.169 1135 K CA 0.272 56.562 56.287 0.005 0.000 1.131 1135 K CB -0.099 32.404 32.500 0.005 0.000 1.771 1135 K HN 0.510 nan 8.250 nan 0.000 0.380 1136 S N 0.193 116.016 115.700 0.205 0.000 2.565 1136 S HA 0.233 4.702 4.470 -0.000 0.000 0.269 1136 S C 0.468 175.264 174.600 0.326 0.000 1.153 1136 S CA -1.117 57.285 58.200 0.336 0.000 0.835 1136 S CB 1.316 64.882 63.200 0.609 0.000 1.122 1136 S HN 0.577 nan 8.310 nan 0.000 0.462 1137 R N -0.008 120.679 120.500 0.312 0.000 2.189 1137 R HA 0.031 4.371 4.340 -0.000 0.000 0.223 1137 R C 1.650 178.143 176.300 0.322 0.000 1.092 1137 R CA 1.308 57.562 56.100 0.257 0.000 0.989 1137 R CB -0.687 29.725 30.300 0.186 0.000 0.876 1137 R HN 0.718 nan 8.270 nan 0.000 0.457 1138 W N 0.868 122.315 121.300 0.246 0.000 2.358 1138 W HA -0.197 4.463 4.660 -0.000 0.000 0.303 1138 W C 1.752 178.375 176.519 0.174 0.000 1.208 1138 W CA 1.220 58.694 57.345 0.215 0.000 1.274 1138 W CB -0.677 28.941 29.460 0.263 0.000 1.138 1138 W HN 0.153 nan 8.180 nan 0.000 0.515 1139 Y N 1.721 121.926 120.300 -0.157 0.000 2.200 1139 Y HA -0.227 4.323 4.550 -0.000 0.000 0.290 1139 Y C 2.534 178.334 175.900 -0.165 0.000 1.137 1139 Y CA 2.575 60.460 58.100 -0.359 0.000 1.163 1139 Y CB -1.062 37.256 38.460 -0.235 0.000 0.988 1139 Y HN 0.084 nan 8.280 nan 0.000 0.518 1140 N N 0.121 118.887 118.700 0.111 0.000 2.149 1140 N HA -0.235 4.504 4.740 -0.000 0.000 0.188 1140 N C 1.912 177.404 175.510 -0.031 0.000 1.019 1140 N CA 1.900 54.986 53.050 0.060 0.000 0.857 1140 N CB -0.309 38.252 38.487 0.123 0.000 0.997 1140 N HN 0.587 nan 8.380 nan 0.000 0.426 1141 Q N -1.104 118.694 119.800 -0.003 0.000 2.033 1141 Q HA -0.004 4.336 4.340 -0.000 0.000 0.196 1141 Q C -0.202 175.758 176.000 -0.067 0.000 0.970 1141 Q CA 1.414 57.218 55.803 0.002 0.000 0.828 1141 Q CB 0.103 28.892 28.738 0.084 0.000 0.895 1141 Q HN 0.473 nan 8.270 nan 0.000 0.440 1142 T N -1.568 112.902 114.554 -0.140 0.000 3.253 1142 T HA 0.336 4.686 4.350 -0.000 0.000 0.391 1142 T C -2.273 172.180 174.700 -0.411 0.000 1.527 1142 T CA -1.804 60.180 62.100 -0.193 0.000 1.268 1142 T CB 1.301 70.126 68.868 -0.070 0.000 1.126 1142 T HN 0.091 nan 8.240 nan 0.000 0.620 1143 P HA -0.056 nan 4.420 nan 0.000 0.217 1143 P C 1.135 178.135 177.300 -0.500 0.000 1.151 1143 P CA 0.855 63.514 63.100 -0.735 0.000 0.828 1143 P CB 0.285 31.628 31.700 -0.595 0.000 0.788 1144 N N 0.250 118.775 118.700 -0.292 0.000 2.106 1144 N HA -0.134 4.606 4.740 -0.000 0.000 0.188 1144 N C 2.076 177.485 175.510 -0.167 0.000 1.029 1144 N CA 1.001 53.935 53.050 -0.193 0.000 0.848 1144 N CB -0.682 37.726 38.487 -0.131 0.000 1.007 1144 N HN 0.186 nan 8.380 nan 0.000 0.423 1145 R N 0.892 121.309 120.500 -0.138 0.000 2.066 1145 R HA 0.034 4.374 4.340 -0.000 0.000 0.232 1145 R C 2.176 178.436 176.300 -0.066 0.000 1.131 1145 R CA 1.319 57.397 56.100 -0.037 0.000 0.955 1145 R CB -0.240 30.096 30.300 0.061 0.000 0.851 1145 R HN 0.166 nan 8.270 nan 0.000 0.432 1146 A N 1.234 123.854 122.820 -0.332 0.000 1.883 1146 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 1146 A C 2.097 179.546 177.584 -0.226 0.000 1.186 1146 A CA 1.798 53.444 52.037 -0.650 0.000 0.624 1146 A CB -0.567 17.669 19.000 -1.273 0.000 0.822 1146 A HN 0.390 nan 8.150 nan 0.000 0.444 1147 K N -0.638 119.687 120.400 -0.125 0.000 2.063 1147 K HA -0.174 4.146 4.320 -0.000 0.000 0.208 1147 K C 2.363 178.956 176.600 -0.011 0.000 1.048 1147 K CA 1.543 57.846 56.287 0.026 0.000 0.928 1147 K CB -0.158 32.353 32.500 0.018 0.000 0.713 1147 K HN 0.458 nan 8.250 nan 0.000 0.442 1148 R N -0.119 120.335 120.500 -0.077 0.000 2.066 1148 R HA -0.098 4.242 4.340 -0.000 0.000 0.232 1148 R C 2.280 178.619 176.300 0.064 0.000 1.131 1148 R CA 1.526 57.538 56.100 -0.147 0.000 0.955 1148 R CB -0.343 29.703 30.300 -0.423 0.000 0.851 1148 R HN 0.058 nan 8.270 nan 0.000 0.432 1149 V N 1.338 121.358 119.914 0.176 0.000 2.343 1149 V HA -0.239 3.881 4.120 -0.000 0.000 0.247 1149 V C 2.256 178.467 176.094 0.196 0.000 1.051 1149 V CA 1.679 64.112 62.300 0.222 0.000 1.036 1149 V CB -0.417 31.656 31.823 0.416 0.000 0.654 1149 V HN 0.262 nan 8.190 nan 0.000 0.451 1150 I N 1.047 121.775 120.570 0.262 0.000 2.142 1150 I HA -0.252 3.918 4.170 -0.000 0.000 0.240 1150 I C 2.772 179.004 176.117 0.192 0.000 1.078 1150 I CA 2.138 63.612 61.300 0.290 0.000 1.343 1150 I CB -0.697 37.414 38.000 0.185 0.000 1.046 1150 I HN 0.500 nan 8.210 nan 0.000 0.405 1151 T N -2.614 111.998 114.554 0.097 0.000 2.881 1151 T HA -0.139 4.211 4.350 -0.000 0.000 0.270 1151 T C 1.734 176.440 174.700 0.011 0.000 1.068 1151 T CA 1.732 63.859 62.100 0.046 0.000 1.131 1151 T CB -0.849 68.026 68.868 0.012 0.000 0.871 1151 T HN 0.264 nan 8.240 nan 0.000 0.479 1152 T N 1.385 115.939 114.554 -0.001 0.000 2.777 1152 T HA 0.081 4.431 4.350 -0.000 0.000 0.266 1152 T C 1.365 175.943 174.700 -0.203 0.000 1.040 1152 T CA 0.904 62.924 62.100 -0.132 0.000 1.141 1152 T CB -0.489 68.294 68.868 -0.142 0.000 0.868 1152 T HN 0.326 nan 8.240 nan 0.000 0.444 1153 F N 1.313 121.216 119.950 -0.079 0.000 2.234 1153 F HA 0.161 4.688 4.527 -0.000 0.000 0.299 1153 F C 2.504 178.208 175.800 -0.160 0.000 1.087 1153 F CA 0.284 58.213 58.000 -0.118 0.000 1.340 1153 F CB -0.381 38.639 39.000 0.034 0.000 1.031 1153 F HN -0.010 nan 8.300 nan 0.000 0.500 1154 R N -0.112 120.453 120.500 0.107 0.000 2.062 1154 R HA -0.112 4.228 4.340 -0.000 0.000 0.229 1154 R C 2.142 178.395 176.300 -0.079 0.000 1.128 1154 R CA 2.022 58.163 56.100 0.068 0.000 0.960 1154 R CB -0.337 30.011 30.300 0.081 0.000 0.855 1154 R HN 0.382 nan 8.270 nan 0.000 0.432 1155 T N -4.354 110.124 114.554 -0.127 0.000 3.040 1155 T HA 0.184 4.534 4.350 -0.000 0.000 0.252 1155 T C 1.318 175.858 174.700 -0.267 0.000 1.064 1155 T CA 0.581 62.584 62.100 -0.161 0.000 1.110 1155 T CB 0.600 69.411 68.868 -0.094 0.000 0.921 1155 T HN 0.388 nan 8.240 nan 0.000 0.480 1156 G N 1.986 110.576 108.800 -0.350 0.000 2.153 1156 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.252 1156 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.252 1156 G C 0.208 174.867 174.900 -0.402 0.000 0.994 1156 G CA 0.661 45.506 45.100 -0.425 0.000 0.698 1156 G HN 1.246 nan 8.290 nan 0.000 0.521 1157 T N -4.450 109.901 114.554 -0.339 0.000 2.908 1157 T HA 0.533 4.883 4.350 -0.000 0.000 0.290 1157 T C 0.741 175.281 174.700 -0.267 0.000 1.034 1157 T CA -0.417 61.511 62.100 -0.288 0.000 1.010 1157 T CB 1.438 70.237 68.868 -0.114 0.000 1.068 1157 T HN 0.221 nan 8.240 nan 0.000 0.481 1158 W N 0.395 121.699 121.300 0.006 0.000 2.825 1158 W HA 0.079 4.739 4.660 -0.000 0.000 0.243 1158 W C 1.218 177.814 176.519 0.128 0.000 1.293 1158 W CA -0.134 57.244 57.345 0.054 0.000 1.403 1158 W CB -0.373 29.096 29.460 0.016 0.000 1.134 1158 W HN 0.774 nan 8.180 nan 0.000 0.666 1159 D N 0.842 121.374 120.400 0.219 0.000 2.248 1159 D HA -0.324 4.316 4.640 -0.000 0.000 0.191 1159 D C 2.176 178.543 176.300 0.110 0.000 1.013 1159 D CA 2.297 56.370 54.000 0.123 0.000 0.883 1159 D CB -0.931 39.890 40.800 0.035 0.000 0.915 1159 D HN 0.181 nan 8.370 nan 0.000 0.448 1160 A N -0.809 122.086 122.820 0.124 0.000 2.024 1160 A HA -0.122 4.198 4.320 -0.000 0.000 0.220 1160 A C 0.754 178.203 177.584 -0.225 0.000 1.164 1160 A CA 1.103 53.105 52.037 -0.058 0.000 0.643 1160 A CB -0.440 18.497 19.000 -0.104 0.000 0.806 1160 A HN 0.310 nan 8.150 nan 0.000 0.451 1201 S N 0.000 115.747 115.700 0.078 0.000 2.498 1201 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 1201 S CA 0.000 58.227 58.200 0.045 0.000 1.107 1201 S CB 0.000 63.193 63.200 -0.012 0.000 0.593 1201 S HN 0.000 nan 8.310 nan 0.000 0.517