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 2o8r_1_B DATA FIRST_RESID 11 DATA SEQUENCE RDXSWLSFNE RVLXEAADRT LPVYDRIKFL SIFSSNLEEF YTVRVAYXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XLQAIRETVI RQDELYYRIF YDQILPTLEE DATA SEQUENCE HGIRLRTHAP THPDHKAYLR RFFHEEIFPL LYPXLLLPSK VRTFIRSGRV DATA SEQUENCE YLAVRLKEKE TDEAYSYALL NVPTDGLPRF VELPRLQTDT FYYYSFLEDI DATA SEQUENCE IKEHLDVVFP GYEVXDSYSI KVSRXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXPTRFXYD GRXPDEVLRY IXXXXXXXXX XAIRSGNYVN LQDLAXLPNP DATA SEQUENCE FAPRLETLTP EPLLSKHLEQ APSLXEGIRR KDYLIHVPYY TYDYVVRLLX DATA SEQUENCE EAAISPDVSE IRLTQYRVAE NSSIISALEA AAQSGKKVSV FVELKARFDE DATA SEQUENCE ENNLRLSERX RRSGIRIVYS XPGLKVHAKT ALILYHTPAG ERPQGIALLS DATA SEQUENCE TGNFNETTAR IYSDTTLXTA NTDIVHDVYR LFRILDGDPE PARFSRLLVA DATA SEQUENCE RYNXGEAITN LIEREIENVK RGKRGYXLLK XNGLQDKNVI TQLYRASEAG DATA SEQUENCE VEIDLIVRGI CCLVPDXPQS RNIRVTRLVD XYLEHSRIWC FHNGGKEEVF DATA SEQUENCE ISSADWXXXX LYNRIETACP VLDPTLRREI IDILEIQLRD NIKACXXXXX DATA SEQUENCE XXXIYKHNSD EKPVRAQAAI YRYLKGKEET 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 11 R HA 0.000 nan 4.340 nan 0.000 0.208 11 R C 0.000 176.465 176.300 0.276 0.000 0.893 11 R CA 0.000 56.207 56.100 0.178 0.000 0.921 11 R CB 0.000 30.398 30.300 0.163 0.000 0.687 15 W N 2.979 124.319 121.300 0.067 0.000 2.770 15 W HA 0.298 4.958 4.660 -0.000 0.000 0.256 15 W C 0.731 177.276 176.519 0.044 0.000 1.291 15 W CA 0.185 57.590 57.345 0.101 0.000 1.396 15 W CB -0.414 29.076 29.460 0.051 0.000 1.114 15 W HN 0.286 nan 8.180 nan 0.000 0.637 16 L N 1.271 122.173 121.223 -0.536 0.000 2.217 16 L HA -0.112 4.228 4.340 -0.000 0.000 0.211 16 L C 2.460 179.163 176.870 -0.279 0.000 1.107 16 L CA 1.150 55.591 54.840 -0.665 0.000 0.783 16 L CB -0.549 41.160 42.059 -0.584 0.000 0.919 16 L HN -0.113 nan 8.230 nan 0.000 0.442 17 S N -0.971 114.673 115.700 -0.094 0.000 2.558 17 S HA -0.034 4.436 4.470 -0.000 0.000 0.217 17 S C 1.489 176.130 174.600 0.069 0.000 0.975 17 S CA 0.044 58.237 58.200 -0.011 0.000 0.912 17 S CB -0.002 63.211 63.200 0.020 0.000 0.776 17 S HN 0.375 nan 8.310 nan 0.000 0.526 18 F N 3.044 122.991 119.950 -0.005 0.000 2.128 18 F HA 0.063 4.590 4.527 -0.000 0.000 0.295 18 F C 1.829 177.654 175.800 0.040 0.000 1.100 18 F CA 1.198 59.239 58.000 0.068 0.000 1.260 18 F CB -0.522 38.606 39.000 0.212 0.000 1.009 18 F HN 0.110 nan 8.300 nan 0.000 0.476 19 N N 0.734 119.306 118.700 -0.214 0.000 2.364 19 N HA -0.152 4.588 4.740 -0.000 0.000 0.183 19 N C 1.753 177.260 175.510 -0.005 0.000 1.022 19 N CA 0.850 53.747 53.050 -0.255 0.000 0.883 19 N CB -0.328 37.891 38.487 -0.447 0.000 0.965 19 N HN 0.371 nan 8.380 nan 0.000 0.438 20 E N 0.170 120.335 120.200 -0.058 0.000 2.085 20 E HA -0.197 4.153 4.350 -0.000 0.000 0.194 20 E C 1.832 178.360 176.600 -0.121 0.000 0.994 20 E CA 0.809 57.175 56.400 -0.056 0.000 0.801 20 E CB -0.056 29.612 29.700 -0.054 0.000 0.743 20 E HN 0.222 nan 8.360 nan 0.000 0.453 21 R N 0.690 121.088 120.500 -0.170 0.000 2.148 21 R HA -0.067 4.273 4.340 -0.000 0.000 0.227 21 R C 2.164 178.294 176.300 -0.284 0.000 1.103 21 R CA 0.791 56.771 56.100 -0.200 0.000 0.983 21 R CB -0.504 29.703 30.300 -0.154 0.000 0.874 21 R HN -0.008 nan 8.270 nan 0.000 0.451 22 V N 0.666 120.390 119.914 -0.317 0.000 2.244 22 V HA -0.115 4.005 4.120 -0.000 0.000 0.244 22 V C 1.882 177.852 176.094 -0.207 0.000 1.042 22 V CA 1.217 63.364 62.300 -0.256 0.000 1.006 22 V CB -0.500 31.265 31.823 -0.097 0.000 0.641 22 V HN 0.226 nan 8.190 nan 0.000 0.446 26 A N 1.778 124.459 122.820 -0.232 0.000 1.933 26 A HA 0.046 4.365 4.320 -0.000 0.000 0.218 26 A C 2.252 179.747 177.584 -0.149 0.000 1.175 26 A CA 2.391 54.350 52.037 -0.129 0.000 0.628 26 A CB -0.501 18.392 19.000 -0.179 0.000 0.814 26 A HN 0.225 nan 8.150 nan 0.000 0.444 27 A N -0.370 122.346 122.820 -0.172 0.000 2.015 27 A HA -0.070 4.250 4.320 -0.000 0.000 0.219 27 A C 1.163 178.685 177.584 -0.104 0.000 1.163 27 A CA 0.974 52.930 52.037 -0.136 0.000 0.646 27 A CB -0.483 18.436 19.000 -0.135 0.000 0.806 27 A HN 0.445 nan 8.150 nan 0.000 0.448 28 D N 0.288 120.620 120.400 -0.114 0.000 2.383 28 D HA 0.020 4.660 4.640 -0.000 0.000 0.275 28 D C 0.826 177.091 176.300 -0.059 0.000 1.344 28 D CA 0.211 54.158 54.000 -0.088 0.000 0.984 28 D CB 0.174 40.910 40.800 -0.106 0.000 1.104 28 D HN 0.313 nan 8.370 nan 0.000 0.524 29 R N 1.436 121.909 120.500 -0.045 0.000 2.323 29 R HA -0.012 4.328 4.340 -0.000 0.000 0.198 29 R C 1.697 177.988 176.300 -0.014 0.000 0.988 29 R CA 0.803 56.886 56.100 -0.028 0.000 1.041 29 R CB 0.203 30.489 30.300 -0.023 0.000 0.926 29 R HN 0.422 nan 8.270 nan 0.000 0.476 30 T N -2.294 112.249 114.554 -0.018 0.000 3.060 30 T HA 0.226 4.576 4.350 -0.000 0.000 0.249 30 T C 0.700 175.396 174.700 -0.006 0.000 1.079 30 T CA -0.105 61.990 62.100 -0.009 0.000 1.013 30 T CB 0.213 69.074 68.868 -0.012 0.000 0.975 30 T HN -0.016 nan 8.240 nan 0.000 0.518 31 L N 2.140 123.357 121.223 -0.010 0.000 2.371 31 L HA 0.409 4.749 4.340 -0.000 0.000 0.272 31 L C -2.306 174.561 176.870 -0.005 0.000 1.124 31 L CA -2.555 52.286 54.840 0.001 0.000 0.816 31 L CB 0.570 42.639 42.059 0.016 0.000 1.129 31 L HN -0.077 nan 8.230 nan 0.000 0.448 32 P HA -0.030 nan 4.420 nan 0.000 0.265 32 P C 0.931 178.210 177.300 -0.035 0.000 1.193 32 P CA -0.263 62.816 63.100 -0.034 0.000 0.765 32 P CB 0.604 32.288 31.700 -0.027 0.000 0.823 33 V N 2.301 122.167 119.914 -0.079 0.000 2.278 33 V HA -0.324 3.796 4.120 -0.000 0.000 0.251 33 V C 1.654 177.653 176.094 -0.158 0.000 1.062 33 V CA 1.943 64.172 62.300 -0.119 0.000 1.038 33 V CB -1.782 29.942 31.823 -0.165 0.000 0.646 33 V HN 0.533 nan 8.190 nan 0.000 0.447 34 Y N 0.785 121.011 120.300 -0.124 0.000 2.352 34 Y HA -0.136 4.414 4.550 -0.000 0.000 0.292 34 Y C 2.463 178.285 175.900 -0.130 0.000 1.136 34 Y CA 1.478 59.499 58.100 -0.131 0.000 1.227 34 Y CB -0.484 37.892 38.460 -0.141 0.000 0.991 34 Y HN 0.301 nan 8.280 nan 0.000 0.545 35 D N -0.169 120.239 120.400 0.014 0.000 2.104 35 D HA -0.156 4.484 4.640 -0.000 0.000 0.194 35 D C 2.159 178.469 176.300 0.016 0.000 0.994 35 D CA 1.354 55.334 54.000 -0.034 0.000 0.830 35 D CB -0.295 40.522 40.800 0.028 0.000 0.959 35 D HN 0.307 nan 8.370 nan 0.000 0.452 36 R N 0.271 120.796 120.500 0.041 0.000 2.081 36 R HA -0.035 4.305 4.340 -0.000 0.000 0.235 36 R C 2.613 178.896 176.300 -0.028 0.000 1.131 36 R CA 0.769 56.900 56.100 0.052 0.000 0.960 36 R CB -0.380 29.900 30.300 -0.033 0.000 0.856 36 R HN 0.242 nan 8.270 nan 0.000 0.436 37 I N 0.956 121.447 120.570 -0.132 0.000 2.264 37 I HA -0.288 3.882 4.170 -0.000 0.000 0.248 37 I C 2.306 178.352 176.117 -0.119 0.000 1.111 37 I CA 1.207 62.403 61.300 -0.174 0.000 1.382 37 I CB -0.244 37.546 38.000 -0.350 0.000 1.060 37 I HN 0.058 nan 8.210 nan 0.000 0.418 38 K N 0.349 120.663 120.400 -0.144 0.000 2.148 38 K HA -0.097 4.223 4.320 -0.000 0.000 0.204 38 K C 1.982 178.457 176.600 -0.209 0.000 1.050 38 K CA 1.453 57.620 56.287 -0.199 0.000 0.942 38 K CB -0.303 32.014 32.500 -0.305 0.000 0.724 38 K HN 0.209 nan 8.250 nan 0.000 0.446 39 F N 1.137 121.050 119.950 -0.061 0.000 2.128 39 F HA -0.035 4.492 4.527 -0.000 0.000 0.295 39 F C 2.260 178.048 175.800 -0.021 0.000 1.100 39 F CA 0.644 58.615 58.000 -0.048 0.000 1.260 39 F CB -0.688 38.262 39.000 -0.083 0.000 1.009 39 F HN -0.117 nan 8.300 nan 0.000 0.476 40 L N -1.007 120.264 121.223 0.079 0.000 2.051 40 L HA -0.322 4.018 4.340 -0.000 0.000 0.214 40 L C 2.671 179.666 176.870 0.207 0.000 1.076 40 L CA 1.750 56.569 54.840 -0.035 0.000 0.758 40 L CB -0.798 41.090 42.059 -0.285 0.000 0.890 40 L HN 0.175 nan 8.230 nan 0.000 0.433 41 S N -0.180 115.589 115.700 0.114 0.000 2.383 41 S HA -0.113 4.357 4.470 -0.000 0.000 0.227 41 S C 1.900 176.583 174.600 0.139 0.000 1.026 41 S CA 0.957 59.228 58.200 0.119 0.000 0.981 41 S CB -0.145 63.078 63.200 0.037 0.000 0.818 41 S HN 0.288 nan 8.310 nan 0.000 0.472 42 I N 0.353 121.002 120.570 0.131 0.000 2.202 42 I HA -0.112 4.058 4.170 -0.000 0.000 0.242 42 I C 2.080 178.309 176.117 0.187 0.000 1.091 42 I CA 1.309 62.693 61.300 0.140 0.000 1.368 42 I CB -0.444 37.640 38.000 0.140 0.000 1.058 42 I HN 0.332 nan 8.210 nan 0.000 0.410 43 F N 1.531 121.546 119.950 0.109 0.000 2.091 43 F HA -0.317 4.210 4.527 -0.000 0.000 0.299 43 F C 2.660 178.515 175.800 0.091 0.000 1.103 43 F CA 2.078 60.133 58.000 0.092 0.000 1.228 43 F CB -0.257 38.822 39.000 0.133 0.000 0.984 43 F HN -0.061 nan 8.300 nan 0.000 0.477 44 S N -0.332 115.539 115.700 0.286 0.000 2.382 44 S HA -0.182 4.288 4.470 -0.000 0.000 0.228 44 S C 2.146 176.749 174.600 0.005 0.000 1.027 44 S CA 1.334 59.591 58.200 0.095 0.000 0.991 44 S CB -0.575 62.698 63.200 0.122 0.000 0.823 44 S HN 0.615 nan 8.310 nan 0.000 0.469 45 S N 2.033 117.762 115.700 0.048 0.000 2.436 45 S HA 0.045 4.515 4.470 -0.000 0.000 0.228 45 S C 1.536 176.174 174.600 0.062 0.000 1.014 45 S CA 0.616 58.852 58.200 0.059 0.000 0.950 45 S CB -0.353 62.892 63.200 0.075 0.000 0.784 45 S HN 0.329 nan 8.310 nan 0.000 0.504 46 N N 1.801 120.517 118.700 0.028 0.000 2.207 46 N HA 0.142 4.882 4.740 -0.000 0.000 0.182 46 N C 1.627 177.134 175.510 -0.006 0.000 1.020 46 N CA 0.830 53.947 53.050 0.113 0.000 0.858 46 N CB -0.624 37.955 38.487 0.153 0.000 0.991 46 N HN 0.400 nan 8.380 nan 0.000 0.427 47 L N 1.025 122.036 121.223 -0.353 0.000 2.131 47 L HA -0.136 4.204 4.340 -0.000 0.000 0.210 47 L C 2.161 178.951 176.870 -0.132 0.000 1.092 47 L CA 1.407 55.978 54.840 -0.447 0.000 0.759 47 L CB -0.099 41.576 42.059 -0.640 0.000 0.903 47 L HN 0.044 nan 8.230 nan 0.000 0.435 48 E N -0.090 120.112 120.200 0.004 0.000 2.017 48 E HA -0.253 4.097 4.350 -0.000 0.000 0.193 48 E C 2.125 178.842 176.600 0.196 0.000 0.997 48 E CA 1.466 57.944 56.400 0.130 0.000 0.804 48 E CB -0.115 29.649 29.700 0.107 0.000 0.757 48 E HN 0.326 nan 8.360 nan 0.000 0.448 49 E N -0.166 120.155 120.200 0.203 0.000 2.070 49 E HA -0.203 4.147 4.350 -0.000 0.000 0.197 49 E C 1.934 178.724 176.600 0.316 0.000 1.004 49 E CA 0.930 57.468 56.400 0.231 0.000 0.805 49 E CB -0.574 29.252 29.700 0.210 0.000 0.744 49 E HN 0.299 nan 8.360 nan 0.000 0.451 50 F N 1.069 121.183 119.950 0.273 0.000 2.048 50 F HA -0.324 4.203 4.527 -0.000 0.000 0.296 50 F C 2.090 178.021 175.800 0.218 0.000 1.109 50 F CA 1.784 59.958 58.000 0.291 0.000 1.214 50 F CB -0.785 38.202 39.000 -0.021 0.000 0.963 50 F HN 0.103 nan 8.300 nan 0.000 0.491 51 Y N 0.001 120.386 120.300 0.141 0.000 2.680 51 Y HA -0.041 4.509 4.550 -0.000 0.000 0.303 51 Y C 2.624 178.530 175.900 0.009 0.000 1.166 51 Y CA 1.086 59.185 58.100 -0.003 0.000 1.344 51 Y CB -1.344 37.168 38.460 0.087 0.000 1.002 51 Y HN 0.321 nan 8.280 nan 0.000 0.537 52 T N -2.826 111.844 114.554 0.193 0.000 3.042 52 T HA 0.001 4.351 4.350 -0.000 0.000 0.245 52 T C 1.748 176.509 174.700 0.101 0.000 1.029 52 T CA 1.052 63.230 62.100 0.130 0.000 1.120 52 T CB -0.600 68.340 68.868 0.120 0.000 0.917 52 T HN 0.053 nan 8.240 nan 0.000 0.467 53 V N -1.170 118.802 119.914 0.097 0.000 3.471 53 V HA 0.548 4.668 4.120 -0.000 0.000 0.258 53 V C 2.335 178.485 176.094 0.094 0.000 1.192 53 V CA 0.521 62.863 62.300 0.071 0.000 1.116 53 V CB -0.262 31.584 31.823 0.039 0.000 0.792 53 V HN 0.225 nan 8.190 nan 0.000 0.459 54 R N 0.067 120.588 120.500 0.036 0.000 2.144 54 R HA 0.392 4.732 4.340 -0.000 0.000 0.195 54 R C 1.944 178.220 176.300 -0.040 0.000 1.077 54 R CA 1.537 57.639 56.100 0.003 0.000 1.120 54 R CB -0.617 29.510 30.300 -0.288 0.000 1.060 54 R HN 0.211 nan 8.270 nan 0.000 0.520 55 V N 0.937 120.767 119.914 -0.139 0.000 2.453 55 V HA -0.019 4.101 4.120 -0.000 0.000 0.247 55 V C 1.917 177.997 176.094 -0.023 0.000 1.048 55 V CA 2.007 64.273 62.300 -0.057 0.000 1.049 55 V CB -0.224 31.617 31.823 0.030 0.000 0.672 55 V HN 0.430 nan 8.190 nan 0.000 0.457 56 A N -1.082 121.754 122.820 0.026 0.000 1.930 56 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 56 A C 1.437 179.065 177.584 0.073 0.000 1.175 56 A CA 1.376 53.437 52.037 0.040 0.000 0.627 56 A CB -0.526 18.513 19.000 0.064 0.000 0.815 56 A HN 0.715 nan 8.150 nan 0.000 0.443 83 Q N 1.617 121.442 119.800 0.043 0.000 2.083 83 Q HA 0.047 4.387 4.340 -0.000 0.000 0.198 83 Q C 2.022 178.058 176.000 0.060 0.000 0.969 83 Q CA 2.019 57.848 55.803 0.043 0.000 0.838 83 Q CB 0.112 28.866 28.738 0.027 0.000 0.900 83 Q HN 0.507 nan 8.270 nan 0.000 0.436 84 A N 0.308 123.167 122.820 0.066 0.000 2.067 84 A HA -0.092 4.228 4.320 -0.000 0.000 0.219 84 A C 2.077 179.722 177.584 0.101 0.000 1.158 84 A CA 0.724 52.805 52.037 0.074 0.000 0.661 84 A CB -0.452 18.590 19.000 0.071 0.000 0.801 84 A HN 0.376 nan 8.150 nan 0.000 0.452 85 I N -1.317 119.339 120.570 0.143 0.000 2.193 85 I HA -0.203 3.967 4.170 -0.000 0.000 0.240 85 I C 2.721 178.943 176.117 0.175 0.000 1.084 85 I CA 1.079 62.507 61.300 0.213 0.000 1.365 85 I CB -0.364 37.844 38.000 0.347 0.000 1.064 85 I HN 0.252 nan 8.210 nan 0.000 0.410 86 R N 0.660 121.253 120.500 0.154 0.000 2.096 86 R HA -0.249 4.091 4.340 -0.000 0.000 0.240 86 R C 2.246 178.602 176.300 0.093 0.000 1.139 86 R CA 1.938 58.115 56.100 0.129 0.000 0.952 86 R CB -0.261 30.091 30.300 0.087 0.000 0.854 86 R HN 0.303 nan 8.270 nan 0.000 0.436 87 E N -0.984 119.258 120.200 0.069 0.000 2.077 87 E HA -0.129 4.221 4.350 -0.000 0.000 0.193 87 E C 1.829 178.456 176.600 0.044 0.000 0.989 87 E CA 1.973 58.402 56.400 0.049 0.000 0.800 87 E CB 0.072 29.795 29.700 0.039 0.000 0.746 87 E HN 0.348 nan 8.360 nan 0.000 0.452 88 T N -0.812 113.766 114.554 0.041 0.000 3.035 88 T HA 0.016 4.366 4.350 -0.000 0.000 0.259 88 T C 1.938 176.653 174.700 0.024 0.000 1.078 88 T CA 0.421 62.534 62.100 0.021 0.000 1.132 88 T CB 0.022 68.890 68.868 0.000 0.000 0.900 88 T HN -0.053 nan 8.240 nan 0.000 0.480 89 V N 1.315 121.254 119.914 0.042 0.000 2.379 89 V HA -0.027 4.093 4.120 -0.000 0.000 0.245 89 V C 2.305 178.459 176.094 0.101 0.000 1.044 89 V CA 1.057 63.394 62.300 0.063 0.000 1.036 89 V CB -0.434 31.451 31.823 0.104 0.000 0.664 89 V HN 0.341 nan 8.190 nan 0.000 0.453 90 I N 0.757 121.381 120.570 0.090 0.000 2.614 90 I HA -0.185 3.985 4.170 -0.000 0.000 0.258 90 I C 2.480 178.636 176.117 0.064 0.000 1.189 90 I CA 1.428 62.774 61.300 0.077 0.000 1.462 90 I CB -0.269 37.765 38.000 0.057 0.000 1.092 90 I HN 0.365 nan 8.210 nan 0.000 0.442 91 R N -0.888 119.645 120.500 0.055 0.000 2.173 91 R HA 0.050 4.390 4.340 -0.000 0.000 0.208 91 R C 1.952 178.279 176.300 0.046 0.000 1.035 91 R CA 0.472 56.598 56.100 0.044 0.000 1.004 91 R CB -0.702 29.614 30.300 0.028 0.000 0.917 91 R HN 0.336 nan 8.270 nan 0.000 0.462 92 Q N 1.188 121.022 119.800 0.056 0.000 2.079 92 Q HA -0.165 4.175 4.340 -0.000 0.000 0.200 92 Q C 1.246 177.292 176.000 0.077 0.000 0.974 92 Q CA 1.766 57.594 55.803 0.042 0.000 0.840 92 Q CB -0.128 28.691 28.738 0.135 0.000 0.898 92 Q HN 0.298 nan 8.270 nan 0.000 0.430 93 D N 0.629 121.118 120.400 0.150 0.000 2.149 93 D HA -0.172 4.468 4.640 -0.000 0.000 0.198 93 D C 1.401 177.840 176.300 0.232 0.000 0.990 93 D CA 1.156 55.273 54.000 0.195 0.000 0.839 93 D CB 0.129 41.019 40.800 0.149 0.000 0.948 93 D HN 0.251 nan 8.370 nan 0.000 0.460 94 E N -0.826 119.461 120.200 0.145 0.000 2.208 94 E HA -0.110 4.240 4.350 -0.000 0.000 0.193 94 E C 1.903 178.590 176.600 0.145 0.000 0.988 94 E CA 0.138 56.623 56.400 0.142 0.000 0.828 94 E CB 0.049 29.797 29.700 0.079 0.000 0.763 94 E HN 0.216 nan 8.360 nan 0.000 0.478 95 L N 0.141 121.415 121.223 0.085 0.000 2.027 95 L HA -0.161 4.179 4.340 -0.000 0.000 0.206 95 L C 2.119 179.007 176.870 0.030 0.000 1.074 95 L CA 1.671 56.524 54.840 0.022 0.000 0.745 95 L CB -0.735 41.288 42.059 -0.061 0.000 0.898 95 L HN 0.103 nan 8.230 nan 0.000 0.433 96 Y N -0.862 119.363 120.300 -0.126 0.000 2.040 96 Y HA -0.407 4.143 4.550 -0.000 0.000 0.275 96 Y C 2.420 178.287 175.900 -0.054 0.000 1.171 96 Y CA 2.483 60.473 58.100 -0.183 0.000 1.123 96 Y CB -0.540 37.792 38.460 -0.213 0.000 0.963 96 Y HN 0.253 nan 8.280 nan 0.000 0.493 97 Y N -0.160 120.334 120.300 0.324 0.000 2.421 97 Y HA -0.178 4.372 4.550 -0.000 0.000 0.292 97 Y C 2.702 178.776 175.900 0.290 0.000 1.136 97 Y CA 1.534 59.828 58.100 0.324 0.000 1.255 97 Y CB -0.270 38.373 38.460 0.305 0.000 0.991 97 Y HN 0.085 nan 8.280 nan 0.000 0.552 98 R N -0.106 120.578 120.500 0.306 0.000 2.062 98 R HA -0.135 4.205 4.340 -0.000 0.000 0.229 98 R C 1.942 178.310 176.300 0.113 0.000 1.128 98 R CA 1.278 57.500 56.100 0.204 0.000 0.960 98 R CB -0.170 30.204 30.300 0.124 0.000 0.855 98 R HN 0.235 nan 8.270 nan 0.000 0.432 99 I N 0.454 121.036 120.570 0.020 0.000 2.118 99 I HA -0.321 3.849 4.170 -0.000 0.000 0.241 99 I C 2.263 178.358 176.117 -0.037 0.000 1.070 99 I CA 1.437 62.699 61.300 -0.063 0.000 1.327 99 I CB -1.348 36.531 38.000 -0.201 0.000 1.034 99 I HN 0.134 nan 8.210 nan 0.000 0.405 100 F N 1.355 121.171 119.950 -0.223 0.000 2.046 100 F HA -0.274 4.253 4.527 -0.000 0.000 0.297 100 F C 2.705 178.428 175.800 -0.129 0.000 1.123 100 F CA 1.698 59.533 58.000 -0.275 0.000 1.199 100 F CB -0.920 37.812 39.000 -0.446 0.000 0.972 100 F HN -0.036 nan 8.300 nan 0.000 0.474 101 Y N 0.115 120.422 120.300 0.011 0.000 2.184 101 Y HA -0.184 4.366 4.550 -0.000 0.000 0.290 101 Y C 2.346 178.208 175.900 -0.063 0.000 1.129 101 Y CA 0.943 59.010 58.100 -0.055 0.000 1.144 101 Y CB -0.249 38.311 38.460 0.167 0.000 0.995 101 Y HN 0.050 nan 8.280 nan 0.000 0.513 102 D N -0.995 119.496 120.400 0.150 0.000 2.249 102 D HA -0.070 4.570 4.640 -0.000 0.000 0.205 102 D C 1.563 177.872 176.300 0.016 0.000 0.962 102 D CA 0.974 55.020 54.000 0.076 0.000 0.860 102 D CB 0.026 40.872 40.800 0.077 0.000 0.955 102 D HN 0.473 nan 8.370 nan 0.000 0.505 103 Q N -0.628 119.161 119.800 -0.019 0.000 2.581 103 Q HA 0.152 4.492 4.340 -0.000 0.000 0.222 103 Q C 2.138 178.088 176.000 -0.082 0.000 0.904 103 Q CA -0.236 55.541 55.803 -0.043 0.000 0.923 103 Q CB 0.866 29.578 28.738 -0.043 0.000 1.117 103 Q HN 0.050 nan 8.270 nan 0.000 0.618 104 I N 1.470 121.955 120.570 -0.143 0.000 2.142 104 I HA -0.260 3.910 4.170 -0.000 0.000 0.240 104 I C 2.377 178.359 176.117 -0.226 0.000 1.078 104 I CA 1.558 62.741 61.300 -0.196 0.000 1.343 104 I CB -0.976 36.885 38.000 -0.231 0.000 1.046 104 I HN 0.276 nan 8.210 nan 0.000 0.405 105 L N 0.513 121.542 121.223 -0.322 0.000 1.989 105 L HA -0.184 4.156 4.340 -0.000 0.000 0.211 105 L C -0.062 176.752 176.870 -0.094 0.000 1.071 105 L CA 1.961 56.651 54.840 -0.250 0.000 0.749 105 L CB -2.186 39.713 42.059 -0.267 0.000 0.890 105 L HN 0.210 nan 8.230 nan 0.000 0.431 106 P HA -0.076 nan 4.420 nan 0.000 0.219 106 P C 1.561 178.871 177.300 0.017 0.000 1.150 106 P CA 1.176 64.273 63.100 -0.005 0.000 0.814 106 P CB -0.101 31.600 31.700 0.001 0.000 0.787 107 T N 0.195 114.758 114.554 0.014 0.000 2.684 107 T HA -0.138 4.212 4.350 -0.000 0.000 0.267 107 T C 1.780 176.603 174.700 0.206 0.000 1.036 107 T CA 1.149 63.300 62.100 0.084 0.000 1.148 107 T CB -1.032 67.882 68.868 0.075 0.000 0.863 107 T HN 0.052 nan 8.240 nan 0.000 0.436 108 L N 0.576 121.866 121.223 0.112 0.000 1.989 108 L HA -0.175 4.165 4.340 -0.000 0.000 0.211 108 L C 2.833 179.838 176.870 0.225 0.000 1.071 108 L CA 1.793 56.726 54.840 0.155 0.000 0.749 108 L CB -0.538 41.529 42.059 0.013 0.000 0.890 108 L HN 0.326 nan 8.230 nan 0.000 0.431 109 E N 0.357 120.646 120.200 0.149 0.000 2.070 109 E HA -0.324 4.026 4.350 -0.000 0.000 0.197 109 E C 2.079 178.852 176.600 0.290 0.000 1.004 109 E CA 1.810 58.345 56.400 0.224 0.000 0.805 109 E CB -0.082 29.675 29.700 0.094 0.000 0.744 109 E HN 0.400 nan 8.360 nan 0.000 0.451 110 E N -1.059 119.203 120.200 0.103 0.000 2.204 110 E HA -0.204 4.146 4.350 -0.000 0.000 0.195 110 E C 0.853 177.332 176.600 -0.202 0.000 0.990 110 E CA 1.177 57.534 56.400 -0.072 0.000 0.821 110 E CB -0.009 29.573 29.700 -0.197 0.000 0.750 110 E HN 0.516 nan 8.360 nan 0.000 0.477 111 H N -1.698 117.419 119.070 0.079 0.000 2.519 111 H HA 0.284 4.840 4.556 -0.000 0.000 0.289 111 H C 0.552 175.941 175.328 0.102 0.000 1.040 111 H CA 0.405 56.465 56.048 0.021 0.000 1.165 111 H CB 1.122 30.897 29.762 0.022 0.000 1.462 111 H HN 0.254 nan 8.280 nan 0.000 0.555 112 G N 1.176 110.152 108.800 0.293 0.000 2.212 112 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.255 112 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.255 112 G C -0.229 175.062 174.900 0.651 0.000 1.062 112 G CA -0.041 45.286 45.100 0.380 0.000 0.815 112 G HN 0.381 nan 8.290 nan 0.000 0.497 113 I N -0.420 120.488 120.570 0.563 0.000 2.439 113 I HA 0.440 4.610 4.170 -0.000 0.000 0.285 113 I C 0.305 176.536 176.117 0.191 0.000 1.021 113 I CA -0.940 60.602 61.300 0.404 0.000 1.091 113 I CB 1.987 40.204 38.000 0.362 0.000 1.242 113 I HN 0.125 nan 8.210 nan 0.000 0.439 114 R N 6.279 126.796 120.500 0.028 0.000 2.287 114 R HA 0.432 4.772 4.340 -0.000 0.000 0.316 114 R C -1.383 174.946 176.300 0.048 0.000 1.050 114 R CA -0.679 55.323 56.100 -0.162 0.000 0.983 114 R CB 0.731 30.686 30.300 -0.576 0.000 1.140 114 R HN 0.534 nan 8.270 nan 0.000 0.528 115 L N 4.809 126.077 121.223 0.075 0.000 2.282 115 L HA 0.386 4.726 4.340 -0.000 0.000 0.287 115 L C -0.273 176.691 176.870 0.158 0.000 1.075 115 L CA -0.007 54.910 54.840 0.129 0.000 0.839 115 L CB 0.333 42.401 42.059 0.015 0.000 1.219 115 L HN 0.531 nan 8.230 nan 0.000 0.434 116 R N 2.358 122.981 120.500 0.206 0.000 2.641 116 R HA 0.260 4.600 4.340 -0.000 0.000 0.269 116 R C 0.633 177.131 176.300 0.330 0.000 1.074 116 R CA 0.557 56.800 56.100 0.238 0.000 1.133 116 R CB 0.420 30.855 30.300 0.225 0.000 1.029 116 R HN 0.747 nan 8.270 nan 0.000 0.488 117 T N -2.204 112.539 114.554 0.316 0.000 3.084 117 T HA 0.221 4.571 4.350 -0.000 0.000 0.270 117 T C -0.187 174.454 174.700 -0.097 0.000 1.008 117 T CA -0.332 61.924 62.100 0.259 0.000 0.900 117 T CB -0.016 69.021 68.868 0.282 0.000 1.084 117 T HN 0.617 nan 8.240 nan 0.000 0.538 118 H N 0.208 119.418 119.070 0.233 0.000 3.016 118 H HA 0.695 5.251 4.556 -0.000 0.000 0.362 118 H C -0.382 175.033 175.328 0.145 0.000 1.233 118 H CA -0.758 55.388 56.048 0.163 0.000 1.124 118 H CB 1.373 31.204 29.762 0.115 0.000 1.850 118 H HN 0.301 nan 8.280 nan 0.000 0.549 119 A N 2.387 125.350 122.820 0.239 0.000 2.483 119 A HA 0.316 4.636 4.320 -0.000 0.000 0.238 119 A C -2.031 175.646 177.584 0.155 0.000 1.070 119 A CA -0.816 51.319 52.037 0.163 0.000 0.770 119 A CB -0.521 18.536 19.000 0.096 0.000 1.008 119 A HN 0.511 nan 8.150 nan 0.000 0.497 120 P HA 0.292 nan 4.420 nan 0.000 0.282 120 P C 0.270 177.653 177.300 0.139 0.000 1.249 120 P CA -0.233 62.957 63.100 0.150 0.000 0.806 120 P CB 1.146 32.941 31.700 0.159 0.000 0.984 121 T N -1.851 112.784 114.554 0.135 0.000 3.044 121 T HA -0.042 4.308 4.350 -0.000 0.000 0.255 121 T C 0.925 175.699 174.700 0.123 0.000 1.073 121 T CA 0.550 62.710 62.100 0.100 0.000 1.125 121 T CB -0.610 68.296 68.868 0.062 0.000 0.908 121 T HN 0.502 nan 8.240 nan 0.000 0.480 122 H N 3.876 122.973 119.070 0.045 0.000 3.145 122 H HA 0.085 4.641 4.556 -0.000 0.000 0.288 122 H C -1.863 173.456 175.328 -0.014 0.000 0.969 122 H CA -2.215 53.825 56.048 -0.014 0.000 1.444 122 H CB 0.971 30.684 29.762 -0.081 0.000 1.500 122 H HN -0.013 nan 8.280 nan 0.000 0.552 123 P HA -0.176 nan 4.420 nan 0.000 0.216 123 P C 1.257 178.656 177.300 0.164 0.000 1.157 123 P CA 1.333 64.539 63.100 0.176 0.000 0.880 123 P CB 0.465 32.224 31.700 0.099 0.000 0.791 124 D N -1.813 118.684 120.400 0.160 0.000 2.104 124 D HA -0.173 4.467 4.640 -0.000 0.000 0.194 124 D C 1.960 178.233 176.300 -0.045 0.000 0.994 124 D CA 1.321 55.283 54.000 -0.063 0.000 0.830 124 D CB -0.836 39.793 40.800 -0.285 0.000 0.959 124 D HN 0.404 nan 8.370 nan 0.000 0.452 125 H N 0.225 119.202 119.070 -0.154 0.000 2.326 125 H HA -0.010 4.546 4.556 -0.000 0.000 0.301 125 H C 2.183 177.570 175.328 0.099 0.000 1.081 125 H CA 0.930 56.933 56.048 -0.075 0.000 1.334 125 H CB 0.287 29.930 29.762 -0.197 0.000 1.385 125 H HN -0.010 nan 8.280 nan 0.000 0.504 126 K N 0.539 121.078 120.400 0.231 0.000 2.063 126 K HA -0.184 4.136 4.320 -0.000 0.000 0.208 126 K C 2.413 179.132 176.600 0.199 0.000 1.048 126 K CA 1.052 57.456 56.287 0.195 0.000 0.928 126 K CB -0.106 32.482 32.500 0.147 0.000 0.713 126 K HN 0.237 nan 8.250 nan 0.000 0.442 127 A N 0.326 123.251 122.820 0.176 0.000 1.877 127 A HA -0.216 4.104 4.320 -0.000 0.000 0.216 127 A C 2.037 179.736 177.584 0.192 0.000 1.186 127 A CA 1.550 53.682 52.037 0.159 0.000 0.620 127 A CB -0.914 18.160 19.000 0.125 0.000 0.822 127 A HN 0.515 nan 8.150 nan 0.000 0.443 128 Y N 0.738 121.104 120.300 0.109 0.000 2.097 128 Y HA -0.218 4.332 4.550 -0.000 0.000 0.282 128 Y C 1.982 177.989 175.900 0.178 0.000 1.152 128 Y CA 2.072 60.243 58.100 0.118 0.000 1.136 128 Y CB -0.478 38.029 38.460 0.080 0.000 0.975 128 Y HN 0.208 nan 8.280 nan 0.000 0.498 129 L N -0.023 121.251 121.223 0.085 0.000 2.131 129 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 129 L C 2.756 179.688 176.870 0.103 0.000 1.092 129 L CA 1.659 56.537 54.840 0.062 0.000 0.759 129 L CB -0.591 41.611 42.059 0.239 0.000 0.903 129 L HN 0.197 nan 8.230 nan 0.000 0.435 130 R N 0.236 120.846 120.500 0.183 0.000 2.092 130 R HA -0.150 4.190 4.340 -0.000 0.000 0.231 130 R C 2.513 178.933 176.300 0.200 0.000 1.119 130 R CA 1.154 57.379 56.100 0.208 0.000 0.970 130 R CB -0.068 30.426 30.300 0.324 0.000 0.864 130 R HN 0.225 nan 8.270 nan 0.000 0.440 131 R N -0.513 120.047 120.500 0.099 0.000 2.090 131 R HA -0.131 4.209 4.340 -0.000 0.000 0.228 131 R C 2.073 178.386 176.300 0.022 0.000 1.110 131 R CA 1.340 57.474 56.100 0.056 0.000 0.973 131 R CB -0.302 30.010 30.300 0.020 0.000 0.869 131 R HN 0.212 nan 8.270 nan 0.000 0.440 132 F N 0.552 120.354 119.950 -0.247 0.000 2.134 132 F HA -0.223 4.304 4.527 -0.000 0.000 0.299 132 F C 1.904 177.615 175.800 -0.149 0.000 1.097 132 F CA 1.471 59.301 58.000 -0.284 0.000 1.264 132 F CB -0.516 38.172 39.000 -0.519 0.000 1.001 132 F HN 0.001 nan 8.300 nan 0.000 0.479 133 F N 0.676 120.534 119.950 -0.152 0.000 2.065 133 F HA -0.272 4.255 4.527 -0.000 0.000 0.298 133 F C 2.486 178.122 175.800 -0.273 0.000 1.112 133 F CA 2.516 60.336 58.000 -0.301 0.000 1.212 133 F CB -0.919 37.664 39.000 -0.696 0.000 0.975 133 F HN 0.034 nan 8.300 nan 0.000 0.476 134 H N -0.393 118.613 119.070 -0.106 0.000 2.321 134 H HA -0.095 4.461 4.556 -0.000 0.000 0.300 134 H C 2.177 177.392 175.328 -0.189 0.000 1.087 134 H CA 2.131 58.091 56.048 -0.146 0.000 1.319 134 H CB -0.259 29.452 29.762 -0.086 0.000 1.379 134 H HN 0.386 nan 8.280 nan 0.000 0.501 135 E N -0.295 119.862 120.200 -0.071 0.000 2.170 135 E HA -0.080 4.270 4.350 -0.000 0.000 0.191 135 E C 1.459 177.915 176.600 -0.241 0.000 0.981 135 E CA 0.823 57.149 56.400 -0.123 0.000 0.830 135 E CB 0.378 30.020 29.700 -0.098 0.000 0.775 135 E HN 0.574 nan 8.360 nan 0.000 0.470 136 E N -0.027 119.906 120.200 -0.446 0.000 2.306 136 E HA 0.091 4.441 4.350 -0.000 0.000 0.201 136 E C 2.205 178.483 176.600 -0.537 0.000 0.874 136 E CA 0.159 56.223 56.400 -0.561 0.000 0.972 136 E CB 0.246 29.339 29.700 -1.012 0.000 0.957 136 E HN 0.194 nan 8.360 nan 0.000 0.492 137 I N 0.852 121.040 120.570 -0.636 0.000 2.296 137 I HA -0.133 4.037 4.170 -0.000 0.000 0.242 137 I C 2.474 178.252 176.117 -0.566 0.000 1.087 137 I CA 0.693 61.667 61.300 -0.543 0.000 1.393 137 I CB -0.286 37.393 38.000 -0.535 0.000 1.093 137 I HN -0.074 nan 8.210 nan 0.000 0.421 138 F N 3.467 122.887 119.950 -0.883 0.000 2.043 138 F HA -0.166 4.361 4.527 -0.000 0.000 0.297 138 F C -0.670 174.864 175.800 -0.443 0.000 1.121 138 F CA 2.042 59.605 58.000 -0.730 0.000 1.199 138 F CB -1.730 36.866 39.000 -0.674 0.000 0.968 138 F HN -0.007 nan 8.300 nan 0.000 0.478 139 P HA -0.140 nan 4.420 nan 0.000 0.226 139 P C 1.196 178.229 177.300 -0.445 0.000 1.146 139 P CA 1.377 64.266 63.100 -0.353 0.000 0.773 139 P CB -0.189 31.400 31.700 -0.184 0.000 0.772 140 L N -2.040 118.912 121.223 -0.452 0.000 2.700 140 L HA 0.182 4.522 4.340 -0.000 0.000 0.234 140 L C 0.668 177.222 176.870 -0.527 0.000 1.156 140 L CA -0.133 54.451 54.840 -0.427 0.000 0.946 140 L CB -0.109 41.780 42.059 -0.284 0.000 1.216 140 L HN -0.022 nan 8.230 nan 0.000 0.493 141 L N -0.551 120.285 121.223 -0.647 0.000 2.322 141 L HA 0.294 4.634 4.340 -0.000 0.000 0.279 141 L C -0.979 175.516 176.870 -0.624 0.000 1.036 141 L CA -0.553 53.964 54.840 -0.538 0.000 0.807 141 L CB 1.279 43.032 42.059 -0.510 0.000 1.226 141 L HN -0.002 nan 8.230 nan 0.000 0.433 142 Y N 2.010 122.223 120.300 -0.144 0.000 2.863 142 Y HA 0.332 4.882 4.550 -0.000 0.000 0.348 142 Y C -1.952 173.939 175.900 -0.015 0.000 1.028 142 Y CA -2.089 55.961 58.100 -0.083 0.000 1.213 142 Y CB 0.182 38.627 38.460 -0.026 0.000 1.120 142 Y HN 0.446 nan 8.280 nan 0.000 0.598 146 L N 4.244 125.558 121.223 0.152 0.000 2.385 146 L HA 0.248 4.588 4.340 -0.000 0.000 0.281 146 L C -0.619 176.403 176.870 0.254 0.000 1.106 146 L CA -0.133 54.827 54.840 0.200 0.000 0.856 146 L CB 0.470 42.689 42.059 0.266 0.000 1.186 146 L HN 0.390 nan 8.230 nan 0.000 0.453 147 L N 7.398 128.714 121.223 0.155 0.000 2.581 147 L HA 0.304 4.644 4.340 -0.000 0.000 0.241 147 L C -1.299 175.587 176.870 0.026 0.000 1.265 147 L CA -1.109 53.803 54.840 0.120 0.000 0.954 147 L CB 0.775 42.894 42.059 0.100 0.000 1.269 147 L HN 0.258 nan 8.230 nan 0.000 0.475 148 P HA -0.254 nan 4.420 nan 0.000 0.219 148 P C 1.358 178.605 177.300 -0.088 0.000 1.158 148 P CA 1.347 64.367 63.100 -0.134 0.000 0.895 148 P CB 0.429 31.931 31.700 -0.329 0.000 0.792 149 S N -2.623 113.032 115.700 -0.075 0.000 2.511 149 S HA 0.131 4.601 4.470 -0.000 0.000 0.214 149 S C 1.663 176.250 174.600 -0.022 0.000 0.997 149 S CA 0.075 58.244 58.200 -0.051 0.000 0.908 149 S CB -0.170 62.995 63.200 -0.058 0.000 0.803 149 S HN -0.046 nan 8.310 nan 0.000 0.504 150 K N 0.555 120.950 120.400 -0.007 0.000 2.098 150 K HA 0.200 4.520 4.320 -0.000 0.000 0.203 150 K C 0.296 176.904 176.600 0.014 0.000 1.051 150 K CA 0.631 56.924 56.287 0.009 0.000 0.957 150 K CB 0.369 32.884 32.500 0.024 0.000 0.738 150 K HN 0.231 nan 8.250 nan 0.000 0.447 151 V N 0.955 120.880 119.914 0.018 0.000 2.577 151 V HA 0.420 4.540 4.120 -0.000 0.000 0.303 151 V C -1.426 174.678 176.094 0.017 0.000 1.042 151 V CA -0.996 61.318 62.300 0.023 0.000 0.872 151 V CB 1.647 33.493 31.823 0.039 0.000 0.998 151 V HN 0.108 nan 8.190 nan 0.000 0.423 152 R N 3.518 124.028 120.500 0.016 0.000 2.457 152 R HA 0.741 5.081 4.340 -0.000 0.000 0.284 152 R C -0.619 175.699 176.300 0.031 0.000 1.024 152 R CA -0.013 56.097 56.100 0.016 0.000 1.025 152 R CB 1.670 31.981 30.300 0.018 0.000 1.063 152 R HN 0.896 nan 8.270 nan 0.000 0.493 153 T N 2.643 117.217 114.554 0.034 0.000 2.889 153 T HA 0.354 4.704 4.350 -0.000 0.000 0.315 153 T C -1.762 172.982 174.700 0.073 0.000 1.291 153 T CA -0.551 61.583 62.100 0.058 0.000 1.028 153 T CB 0.697 69.588 68.868 0.039 0.000 1.235 153 T HN 0.389 nan 8.240 nan 0.000 0.491 154 F N 4.384 124.311 119.950 -0.039 0.000 2.397 154 F HA 0.735 5.262 4.527 -0.000 0.000 0.331 154 F C -0.477 175.277 175.800 -0.076 0.000 1.090 154 F CA -1.041 56.933 58.000 -0.042 0.000 1.065 154 F CB 0.869 39.855 39.000 -0.022 0.000 1.184 154 F HN 0.369 nan 8.300 nan 0.000 0.499 155 I N 6.165 126.343 120.570 -0.653 0.000 2.354 155 I HA 0.323 4.493 4.170 -0.000 0.000 0.286 155 I C -0.250 175.676 176.117 -0.318 0.000 1.007 155 I CA -0.567 60.429 61.300 -0.506 0.000 1.167 155 I CB 1.412 39.054 38.000 -0.597 0.000 1.320 155 I HN 0.577 nan 8.210 nan 0.000 0.458 156 R N 3.606 124.281 120.500 0.291 0.000 2.491 156 R HA 0.267 4.607 4.340 -0.000 0.000 0.283 156 R C 0.475 176.931 176.300 0.260 0.000 1.072 156 R CA -0.284 56.074 56.100 0.429 0.000 1.048 156 R CB 0.772 31.318 30.300 0.411 0.000 0.983 156 R HN 0.661 nan 8.270 nan 0.000 0.450 157 S N 0.774 116.592 115.700 0.196 0.000 2.603 157 S HA 0.404 4.874 4.470 -0.000 0.000 0.268 157 S C 1.314 175.985 174.600 0.118 0.000 1.317 157 S CA -0.208 58.061 58.200 0.115 0.000 1.012 157 S CB 1.465 64.722 63.200 0.095 0.000 0.926 157 S HN 0.911 nan 8.310 nan 0.000 0.539 158 G N 0.767 109.619 108.800 0.088 0.000 2.284 158 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.261 158 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.261 158 G C 0.168 175.109 174.900 0.068 0.000 0.997 158 G CA 0.098 45.245 45.100 0.079 0.000 0.621 158 G HN 0.723 nan 8.290 nan 0.000 0.534 159 R N 0.299 120.848 120.500 0.081 0.000 2.410 159 R HA 0.539 4.879 4.340 -0.000 0.000 0.288 159 R C 0.181 176.500 176.300 0.031 0.000 1.051 159 R CA -0.536 55.571 56.100 0.012 0.000 1.021 159 R CB 1.384 31.648 30.300 -0.059 0.000 1.032 159 R HN 0.145 nan 8.270 nan 0.000 0.481 160 V N 4.449 124.340 119.914 -0.038 0.000 2.498 160 V HA 0.223 4.343 4.120 -0.000 0.000 0.279 160 V C -0.474 175.580 176.094 -0.067 0.000 1.048 160 V CA -0.039 62.273 62.300 0.019 0.000 0.967 160 V CB 0.380 32.221 31.823 0.030 0.000 0.988 160 V HN 0.517 nan 8.190 nan 0.000 0.473 161 Y N 3.711 124.032 120.300 0.034 0.000 2.630 161 Y HA 0.652 5.202 4.550 -0.000 0.000 0.337 161 Y C -0.063 175.882 175.900 0.076 0.000 1.051 161 Y CA -1.030 57.103 58.100 0.054 0.000 1.121 161 Y CB 1.781 40.264 38.460 0.038 0.000 1.299 161 Y HN 0.341 nan 8.280 nan 0.000 0.498 162 L N 2.155 123.548 121.223 0.283 0.000 2.294 162 L HA 0.640 4.980 4.340 -0.000 0.000 0.283 162 L C -0.411 176.591 176.870 0.219 0.000 1.015 162 L CA -0.999 53.968 54.840 0.212 0.000 0.831 162 L CB 1.251 43.411 42.059 0.169 0.000 1.217 162 L HN 0.726 nan 8.230 nan 0.000 0.420 163 A N 4.549 127.498 122.820 0.214 0.000 2.354 163 A HA 0.570 4.890 4.320 -0.000 0.000 0.281 163 A C -0.283 177.414 177.584 0.188 0.000 1.174 163 A CA -0.245 51.914 52.037 0.204 0.000 0.828 163 A CB 0.408 19.539 19.000 0.219 0.000 1.099 163 A HN 0.430 nan 8.150 nan 0.000 0.516 164 V N 4.261 124.243 119.914 0.114 0.000 2.448 164 V HA 0.467 4.587 4.120 -0.000 0.000 0.295 164 V C 0.365 176.403 176.094 -0.093 0.000 1.025 164 V CA -0.755 61.535 62.300 -0.017 0.000 0.859 164 V CB 1.557 33.362 31.823 -0.031 0.000 0.988 164 V HN 0.944 nan 8.190 nan 0.000 0.431 165 R N 5.214 125.611 120.500 -0.171 0.000 2.295 165 R HA 0.689 5.029 4.340 -0.000 0.000 0.324 165 R C -1.726 174.290 176.300 -0.472 0.000 0.968 165 R CA -0.480 55.392 56.100 -0.379 0.000 0.837 165 R CB 0.984 31.097 30.300 -0.312 0.000 1.133 165 R HN 0.711 nan 8.270 nan 0.000 0.450 166 L N 3.779 124.682 121.223 -0.533 0.000 2.362 166 L HA 0.556 4.896 4.340 -0.000 0.000 0.271 166 L C -0.161 176.721 176.870 0.019 0.000 1.002 166 L CA -0.877 53.778 54.840 -0.309 0.000 0.818 166 L CB 2.212 43.912 42.059 -0.598 0.000 1.298 166 L HN 0.455 nan 8.230 nan 0.000 0.420 167 K N 1.088 121.581 120.400 0.155 0.000 2.221 167 K HA 0.211 4.531 4.320 -0.000 0.000 0.258 167 K C 0.335 177.045 176.600 0.183 0.000 0.944 167 K CA -0.486 55.897 56.287 0.160 0.000 0.823 167 K CB 2.309 34.875 32.500 0.110 0.000 1.113 167 K HN 0.601 nan 8.250 nan 0.000 0.431 168 E N 1.902 122.172 120.200 0.117 0.000 2.285 168 E HA -0.101 4.249 4.350 -0.000 0.000 0.194 168 E C -0.384 176.187 176.600 -0.049 0.000 0.997 168 E CA 1.101 57.473 56.400 -0.046 0.000 0.845 168 E CB 0.412 30.020 29.700 -0.154 0.000 0.782 168 E HN 0.188 nan 8.360 nan 0.000 0.491 169 K N -1.016 119.374 120.400 -0.017 0.000 2.578 169 K HA 0.106 4.426 4.320 -0.000 0.000 0.269 169 K C -0.590 175.999 176.600 -0.017 0.000 0.941 169 K CA -0.345 55.931 56.287 -0.019 0.000 0.847 169 K CB 1.138 33.618 32.500 -0.034 0.000 1.397 169 K HN -0.142 nan 8.250 nan 0.000 0.422 170 E N 0.073 120.267 120.200 -0.009 0.000 2.265 170 E HA -0.127 4.223 4.350 -0.000 0.000 0.196 170 E C 0.510 177.087 176.600 -0.037 0.000 0.996 170 E CA 1.407 57.799 56.400 -0.013 0.000 0.832 170 E CB 0.123 29.823 29.700 -0.000 0.000 0.756 170 E HN 0.605 nan 8.360 nan 0.000 0.491 171 T N 1.175 115.706 114.554 -0.038 0.000 2.833 171 T HA -0.130 4.220 4.350 -0.000 0.000 0.269 171 T C 1.143 175.804 174.700 -0.066 0.000 1.054 171 T CA 1.255 63.328 62.100 -0.044 0.000 1.135 171 T CB -0.152 68.695 68.868 -0.035 0.000 0.869 171 T HN 0.145 nan 8.240 nan 0.000 0.466 172 D N 0.393 120.742 120.400 -0.085 0.000 2.097 172 D HA -0.027 4.613 4.640 -0.000 0.000 0.197 172 D C 1.608 177.821 176.300 -0.146 0.000 0.984 172 D CA 0.952 54.890 54.000 -0.103 0.000 0.826 172 D CB -0.042 40.695 40.800 -0.105 0.000 0.973 172 D HN 0.532 nan 8.370 nan 0.000 0.460 173 E N -1.191 118.877 120.200 -0.220 0.000 4.524 173 E HA -0.226 4.124 4.350 -0.000 0.000 0.156 173 E C 0.549 176.877 176.600 -0.454 0.000 1.022 173 E CA 1.024 57.257 56.400 -0.279 0.000 2.575 173 E CB -1.334 28.274 29.700 -0.154 0.000 1.632 173 E HN 0.291 nan 8.360 nan 0.000 0.569 174 A N 0.130 122.757 122.820 -0.322 0.000 2.327 174 A HA 0.493 4.813 4.320 -0.000 0.000 0.255 174 A C -0.687 176.631 177.584 -0.444 0.000 1.099 174 A CA 0.347 52.209 52.037 -0.291 0.000 0.801 174 A CB 0.146 19.084 19.000 -0.104 0.000 1.062 174 A HN 0.229 nan 8.150 nan 0.000 0.496 175 Y N -0.344 119.880 120.300 -0.127 0.000 2.373 175 Y HA 0.407 4.957 4.550 -0.000 0.000 0.336 175 Y C 0.614 176.250 175.900 -0.440 0.000 0.979 175 Y CA -0.552 57.336 58.100 -0.353 0.000 1.080 175 Y CB 2.024 40.119 38.460 -0.608 0.000 1.190 175 Y HN 0.623 nan 8.280 nan 0.000 0.446 176 S N 2.406 117.987 115.700 -0.198 0.000 2.593 176 S HA 0.446 4.916 4.470 -0.000 0.000 0.269 176 S C -1.132 173.078 174.600 -0.651 0.000 1.334 176 S CA -0.170 57.889 58.200 -0.235 0.000 1.015 176 S CB 0.308 63.468 63.200 -0.066 0.000 0.912 176 S HN 0.453 nan 8.310 nan 0.000 0.541 177 Y N -0.275 119.866 120.300 -0.265 0.000 2.576 177 Y HA 0.690 5.240 4.550 -0.000 0.000 0.346 177 Y C 0.183 175.953 175.900 -0.217 0.000 1.018 177 Y CA -0.811 57.098 58.100 -0.319 0.000 1.050 177 Y CB 1.826 40.002 38.460 -0.474 0.000 1.280 177 Y HN 0.760 nan 8.280 nan 0.000 0.474 178 A N 1.479 124.276 122.820 -0.039 0.000 2.594 178 A HA 0.804 5.124 4.320 -0.000 0.000 0.291 178 A C -2.429 175.219 177.584 0.107 0.000 1.105 178 A CA -0.656 51.380 52.037 -0.000 0.000 0.694 178 A CB 1.770 20.679 19.000 -0.152 0.000 1.291 178 A HN 0.637 nan 8.150 nan 0.000 0.410 179 L N 0.601 121.925 121.223 0.167 0.000 2.362 179 L HA 0.862 5.202 4.340 -0.000 0.000 0.271 179 L C -1.696 175.337 176.870 0.272 0.000 1.002 179 L CA -0.598 54.361 54.840 0.198 0.000 0.818 179 L CB 1.725 43.865 42.059 0.135 0.000 1.298 179 L HN 0.652 nan 8.230 nan 0.000 0.420 180 L N 4.812 126.218 121.223 0.305 0.000 2.410 180 L HA 0.537 4.877 4.340 -0.000 0.000 0.270 180 L C -0.799 176.226 176.870 0.258 0.000 0.983 180 L CA -0.512 54.489 54.840 0.268 0.000 0.822 180 L CB 1.889 44.090 42.059 0.235 0.000 1.285 180 L HN 0.809 nan 8.230 nan 0.000 0.409 181 N N 3.226 122.017 118.700 0.153 0.000 2.508 181 N HA 0.182 4.922 4.740 -0.000 0.000 0.264 181 N C -0.821 174.647 175.510 -0.069 0.000 1.216 181 N CA -0.367 52.641 53.050 -0.071 0.000 0.943 181 N CB 1.452 39.920 38.487 -0.032 0.000 1.113 181 N HN 0.280 nan 8.380 nan 0.000 0.447 182 V N 2.098 121.921 119.914 -0.151 0.000 2.275 182 V HA 0.254 4.374 4.120 -0.000 0.000 0.272 182 V C -2.010 174.036 176.094 -0.079 0.000 1.028 182 V CA -1.305 60.958 62.300 -0.061 0.000 0.810 182 V CB 0.983 32.794 31.823 -0.019 0.000 1.043 182 V HN 0.685 nan 8.190 nan 0.000 0.453 183 P HA 0.129 nan 4.420 nan 0.000 0.237 183 P C 0.998 178.278 177.300 -0.033 0.000 1.788 183 P CA -0.078 62.985 63.100 -0.062 0.000 1.061 183 P CB -0.063 31.583 31.700 -0.091 0.000 1.967 184 T N -2.781 111.756 114.554 -0.028 0.000 3.148 184 T HA -0.072 4.278 4.350 -0.000 0.000 0.253 184 T C 1.036 175.738 174.700 0.004 0.000 1.134 184 T CA 0.301 62.398 62.100 -0.006 0.000 1.051 184 T CB -0.468 68.394 68.868 -0.010 0.000 0.959 184 T HN 0.214 nan 8.240 nan 0.000 0.525 185 D N 1.208 121.607 120.400 -0.002 0.000 2.347 185 D HA 0.094 4.734 4.640 -0.000 0.000 0.213 185 D C 1.754 178.059 176.300 0.008 0.000 0.985 185 D CA 0.620 54.626 54.000 0.010 0.000 0.879 185 D CB -0.490 40.316 40.800 0.011 0.000 0.919 185 D HN 0.544 nan 8.370 nan 0.000 0.526 186 G N -0.240 108.559 108.800 -0.003 0.000 3.104 186 G HA2 0.394 4.354 3.960 -0.000 0.000 0.237 186 G HA3 0.394 4.354 3.960 -0.000 0.000 0.237 186 G C 0.313 175.216 174.900 0.004 0.000 1.035 186 G CA -0.216 44.878 45.100 -0.010 0.000 0.844 186 G HN 0.165 nan 8.290 nan 0.000 0.531 187 L N 0.961 122.197 121.223 0.023 0.000 2.465 187 L HA 0.441 4.781 4.340 -0.000 0.000 0.257 187 L C -2.409 174.509 176.870 0.079 0.000 0.988 187 L CA -2.124 52.757 54.840 0.069 0.000 0.827 187 L CB 3.355 45.462 42.059 0.079 0.000 1.397 187 L HN -0.144 nan 8.230 nan 0.000 0.410 188 P HA 0.155 nan 4.420 nan 0.000 0.274 188 P C -0.255 177.068 177.300 0.039 0.000 1.237 188 P CA -0.499 62.653 63.100 0.086 0.000 0.793 188 P CB 1.278 33.050 31.700 0.121 0.000 0.977 189 R N 1.004 121.475 120.500 -0.049 0.000 2.115 189 R HA 0.081 4.421 4.340 -0.000 0.000 0.226 189 R C 0.130 176.118 176.300 -0.520 0.000 1.100 189 R CA 1.201 57.129 56.100 -0.286 0.000 0.980 189 R CB -0.657 29.384 30.300 -0.432 0.000 0.875 189 R HN 0.392 nan 8.270 nan 0.000 0.445 190 F N 0.185 120.107 119.950 -0.047 0.000 2.426 190 F HA 0.382 4.909 4.527 -0.000 0.000 0.348 190 F C -0.400 175.431 175.800 0.052 0.000 1.124 190 F CA -1.167 56.786 58.000 -0.078 0.000 1.008 190 F CB 1.810 40.682 39.000 -0.213 0.000 1.139 190 F HN -0.371 nan 8.300 nan 0.000 0.452 191 V N 3.195 123.227 119.914 0.196 0.000 2.432 191 V HA 0.168 4.288 4.120 -0.000 0.000 0.275 191 V C 0.208 176.393 176.094 0.151 0.000 1.043 191 V CA -0.830 61.521 62.300 0.086 0.000 0.925 191 V CB 1.258 32.987 31.823 -0.156 0.000 0.985 191 V HN 0.723 nan 8.190 nan 0.000 0.466 192 E N 3.599 123.870 120.200 0.118 0.000 2.354 192 E HA 0.347 4.697 4.350 -0.000 0.000 0.269 192 E C -1.322 175.162 176.600 -0.193 0.000 1.036 192 E CA -0.725 55.612 56.400 -0.105 0.000 0.876 192 E CB 1.109 30.778 29.700 -0.053 0.000 1.009 192 E HN 0.390 nan 8.360 nan 0.000 0.416 193 L N 5.845 126.886 121.223 -0.304 0.000 2.334 193 L HA 0.391 4.731 4.340 -0.000 0.000 0.275 193 L C -2.157 174.482 176.870 -0.385 0.000 1.036 193 L CA -2.085 52.507 54.840 -0.414 0.000 0.807 193 L CB 0.854 42.598 42.059 -0.525 0.000 1.231 193 L HN 0.528 nan 8.230 nan 0.000 0.438 194 P HA 0.182 nan 4.420 nan 0.000 0.268 194 P C -0.876 176.328 177.300 -0.160 0.000 1.208 194 P CA -0.195 62.699 63.100 -0.343 0.000 0.777 194 P CB 0.512 31.969 31.700 -0.404 0.000 0.875 195 R N 1.987 122.402 120.500 -0.142 0.000 2.686 195 R HA 0.552 4.892 4.340 -0.000 0.000 0.283 195 R C -1.171 175.063 176.300 -0.110 0.000 0.978 195 R CA -0.845 55.188 56.100 -0.112 0.000 0.897 195 R CB 1.133 31.293 30.300 -0.233 0.000 1.192 195 R HN 0.417 nan 8.270 nan 0.000 0.457 196 L N 3.612 124.787 121.223 -0.080 0.000 2.325 196 L HA 0.311 4.651 4.340 -0.000 0.000 0.278 196 L C 1.470 178.302 176.870 -0.064 0.000 1.023 196 L CA -0.483 54.320 54.840 -0.062 0.000 0.811 196 L CB 1.984 44.020 42.059 -0.038 0.000 1.249 196 L HN 0.717 nan 8.230 nan 0.000 0.431 197 Q N 0.468 120.237 119.800 -0.051 0.000 2.173 197 Q HA -0.238 4.102 4.340 -0.000 0.000 0.208 197 Q C 1.945 177.931 176.000 -0.023 0.000 0.989 197 Q CA 2.311 58.092 55.803 -0.036 0.000 0.872 197 Q CB -0.049 28.683 28.738 -0.010 0.000 0.909 197 Q HN 0.939 nan 8.270 nan 0.000 0.420 198 T N -1.169 113.376 114.554 -0.015 0.000 2.962 198 T HA -0.097 4.253 4.350 -0.000 0.000 0.270 198 T C 0.464 175.165 174.700 0.001 0.000 1.088 198 T CA 0.439 62.536 62.100 -0.005 0.000 1.127 198 T CB -0.103 68.765 68.868 0.000 0.000 0.883 198 T HN 0.016 nan 8.240 nan 0.000 0.493 199 D N 1.899 122.305 120.400 0.010 0.000 2.423 199 D HA 0.116 4.756 4.640 -0.000 0.000 0.238 199 D C 1.261 177.555 176.300 -0.011 0.000 1.142 199 D CA 0.282 54.319 54.000 0.063 0.000 0.884 199 D CB 1.349 42.245 40.800 0.159 0.000 1.199 199 D HN 0.240 nan 8.370 nan 0.000 0.438 200 T N 0.856 115.384 114.554 -0.044 0.000 2.857 200 T HA -0.031 4.319 4.350 -0.000 0.000 0.266 200 T C 0.668 175.075 174.700 -0.489 0.000 1.048 200 T CA 0.893 62.790 62.100 -0.339 0.000 1.139 200 T CB -0.007 68.502 68.868 -0.598 0.000 0.874 200 T HN 0.265 nan 8.240 nan 0.000 0.455 201 F N -1.059 118.817 119.950 -0.123 0.000 2.613 201 F HA 0.581 5.108 4.527 -0.000 0.000 0.342 201 F C -0.433 175.065 175.800 -0.503 0.000 1.066 201 F CA -1.861 55.947 58.000 -0.320 0.000 1.002 201 F CB 0.961 39.542 39.000 -0.700 0.000 1.319 201 F HN -0.091 nan 8.300 nan 0.000 0.495 202 Y N -0.165 120.027 120.300 -0.180 0.000 2.361 202 Y HA 0.453 5.003 4.550 -0.000 0.000 0.332 202 Y C -1.055 174.510 175.900 -0.557 0.000 1.101 202 Y CA -0.646 57.263 58.100 -0.318 0.000 1.137 202 Y CB 1.052 39.402 38.460 -0.183 0.000 1.207 202 Y HN 0.303 nan 8.280 nan 0.000 0.463 203 Y N 2.351 122.475 120.300 -0.292 0.000 2.364 203 Y HA 0.505 5.055 4.550 -0.000 0.000 0.340 203 Y C -1.126 174.397 175.900 -0.627 0.000 0.975 203 Y CA -1.213 56.679 58.100 -0.347 0.000 1.089 203 Y CB 0.996 39.221 38.460 -0.391 0.000 1.192 203 Y HN 0.447 nan 8.280 nan 0.000 0.454 204 Y N 0.222 120.577 120.300 0.092 0.000 2.512 204 Y HA 0.698 5.248 4.550 -0.000 0.000 0.348 204 Y C -0.227 175.728 175.900 0.091 0.000 0.990 204 Y CA -1.010 57.128 58.100 0.063 0.000 1.033 204 Y CB 2.546 41.015 38.460 0.016 0.000 1.259 204 Y HN 0.442 nan 8.280 nan 0.000 0.461 205 S N 1.337 117.199 115.700 0.270 0.000 2.549 205 S HA 0.553 5.023 4.470 -0.000 0.000 0.280 205 S C -1.266 173.478 174.600 0.240 0.000 1.109 205 S CA -0.900 57.459 58.200 0.264 0.000 0.905 205 S CB 0.979 64.305 63.200 0.211 0.000 1.081 205 S HN 0.393 nan 8.310 nan 0.000 0.477 206 F N 1.961 122.027 119.950 0.193 0.000 2.529 206 F HA 0.144 4.671 4.527 -0.000 0.000 0.365 206 F C 1.447 177.298 175.800 0.086 0.000 1.102 206 F CA -0.304 57.730 58.000 0.058 0.000 1.271 206 F CB 0.404 39.480 39.000 0.126 0.000 1.120 206 F HN 0.528 nan 8.300 nan 0.000 0.579 207 L N 3.168 124.496 121.223 0.175 0.000 2.012 207 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 207 L C 2.531 179.543 176.870 0.236 0.000 1.073 207 L CA 1.869 56.820 54.840 0.186 0.000 0.748 207 L CB -0.813 41.311 42.059 0.108 0.000 0.891 207 L HN 0.736 nan 8.230 nan 0.000 0.431 208 E N -1.396 118.944 120.200 0.234 0.000 2.153 208 E HA -0.258 4.092 4.350 -0.000 0.000 0.194 208 E C 1.486 178.215 176.600 0.214 0.000 0.988 208 E CA 1.533 58.056 56.400 0.204 0.000 0.811 208 E CB -0.740 29.060 29.700 0.166 0.000 0.746 208 E HN 0.530 nan 8.360 nan 0.000 0.466 209 D N 1.282 121.842 120.400 0.266 0.000 2.178 209 D HA -0.066 4.574 4.640 -0.000 0.000 0.201 209 D C 2.211 178.648 176.300 0.227 0.000 0.980 209 D CA 0.925 55.063 54.000 0.230 0.000 0.842 209 D CB -0.192 40.792 40.800 0.307 0.000 0.948 209 D HN 0.336 nan 8.370 nan 0.000 0.472 210 I N 0.579 121.323 120.570 0.290 0.000 2.315 210 I HA -0.208 3.962 4.170 -0.000 0.000 0.248 210 I C 2.312 178.674 176.117 0.408 0.000 1.117 210 I CA 0.646 62.165 61.300 0.365 0.000 1.404 210 I CB -0.170 38.069 38.000 0.399 0.000 1.071 210 I HN -0.055 nan 8.210 nan 0.000 0.419 211 I N 0.763 121.561 120.570 0.378 0.000 2.179 211 I HA -0.277 3.893 4.170 -0.000 0.000 0.242 211 I C 2.522 178.739 176.117 0.167 0.000 1.088 211 I CA 1.455 62.989 61.300 0.390 0.000 1.357 211 I CB -0.460 37.742 38.000 0.337 0.000 1.051 211 I HN 0.118 nan 8.210 nan 0.000 0.409 212 K N 0.475 120.953 120.400 0.129 0.000 2.074 212 K HA -0.274 4.046 4.320 -0.000 0.000 0.209 212 K C 2.066 178.653 176.600 -0.022 0.000 1.048 212 K CA 1.864 58.180 56.287 0.048 0.000 0.926 212 K CB -0.184 32.335 32.500 0.032 0.000 0.713 212 K HN 0.126 nan 8.250 nan 0.000 0.444 213 E N 0.019 120.191 120.200 -0.047 0.000 2.347 213 E HA -0.113 4.237 4.350 -0.000 0.000 0.196 213 E C 0.439 176.744 176.600 -0.492 0.000 1.008 213 E CA 1.286 57.550 56.400 -0.227 0.000 0.852 213 E CB 0.129 29.689 29.700 -0.233 0.000 0.783 213 E HN 0.403 nan 8.360 nan 0.000 0.505 214 H N -1.495 117.358 119.070 -0.361 0.000 2.785 214 H HA 0.193 4.749 4.556 -0.000 0.000 0.268 214 H C 0.870 175.901 175.328 -0.496 0.000 1.153 214 H CA -0.270 55.375 56.048 -0.672 0.000 1.111 214 H CB 0.530 29.279 29.762 -1.690 0.000 1.633 214 H HN 0.015 nan 8.280 nan 0.000 0.576 215 L N 1.550 122.694 121.223 -0.131 0.000 2.085 215 L HA -0.277 4.063 4.340 -0.000 0.000 0.218 215 L C 1.499 178.400 176.870 0.052 0.000 1.080 215 L CA 2.260 57.116 54.840 0.027 0.000 0.776 215 L CB -0.772 41.362 42.059 0.125 0.000 0.891 215 L HN 0.537 nan 8.230 nan 0.000 0.437 216 D N -1.772 118.642 120.400 0.024 0.000 2.309 216 D HA -0.146 4.494 4.640 -0.000 0.000 0.212 216 D C 2.019 178.340 176.300 0.036 0.000 0.968 216 D CA 1.052 55.092 54.000 0.068 0.000 0.882 216 D CB -0.621 40.201 40.800 0.037 0.000 0.918 216 D HN 0.342 nan 8.370 nan 0.000 0.503 217 V N -1.004 118.888 119.914 -0.036 0.000 2.719 217 V HA -0.072 4.048 4.120 -0.000 0.000 0.252 217 V C 1.838 177.919 176.094 -0.021 0.000 1.065 217 V CA 0.769 63.043 62.300 -0.043 0.000 1.086 217 V CB -0.183 31.566 31.823 -0.122 0.000 0.700 217 V HN 0.188 nan 8.190 nan 0.000 0.467 218 V N -0.201 119.684 119.914 -0.048 0.000 2.407 218 V HA 0.128 4.248 4.120 -0.000 0.000 0.245 218 V C 1.092 176.963 176.094 -0.372 0.000 1.041 218 V CA 1.340 63.513 62.300 -0.212 0.000 1.040 218 V CB -0.682 30.811 31.823 -0.549 0.000 0.671 218 V HN 0.538 nan 8.190 nan 0.000 0.455 219 F N 1.284 121.336 119.950 0.169 0.000 2.334 219 F HA 0.421 4.948 4.527 -0.000 0.000 0.343 219 F C -1.430 174.510 175.800 0.233 0.000 1.136 219 F CA -2.861 55.276 58.000 0.227 0.000 1.237 219 F CB 0.274 39.353 39.000 0.131 0.000 1.525 219 F HN 0.071 nan 8.300 nan 0.000 0.528 220 P HA -0.070 nan 4.420 nan 0.000 0.221 220 P C 1.571 178.968 177.300 0.162 0.000 1.150 220 P CA 1.050 64.260 63.100 0.184 0.000 0.800 220 P CB 0.324 32.092 31.700 0.114 0.000 0.787 221 G N -2.279 106.621 108.800 0.168 0.000 2.920 221 G HA2 0.025 3.985 3.960 -0.000 0.000 0.208 221 G HA3 0.025 3.985 3.960 -0.000 0.000 0.208 221 G C -0.207 174.507 174.900 -0.311 0.000 1.159 221 G CA 0.163 45.197 45.100 -0.110 0.000 0.784 221 G HN 0.222 nan 8.290 nan 0.000 0.535 222 Y N -0.315 120.034 120.300 0.082 0.000 2.570 222 Y HA 0.407 4.957 4.550 -0.000 0.000 0.345 222 Y C -0.149 175.773 175.900 0.037 0.000 1.014 222 Y CA -1.553 56.569 58.100 0.037 0.000 1.063 222 Y CB 1.315 39.770 38.460 -0.008 0.000 1.272 222 Y HN -0.072 nan 8.280 nan 0.000 0.477 223 E N 2.239 122.541 120.200 0.170 0.000 2.052 223 E HA 0.288 4.638 4.350 -0.000 0.000 0.283 223 E C -0.204 176.457 176.600 0.101 0.000 1.071 223 E CA -0.219 56.248 56.400 0.111 0.000 0.851 223 E CB 0.846 30.588 29.700 0.070 0.000 1.066 223 E HN 0.363 nan 8.360 nan 0.000 0.396 227 S N -0.301 115.009 115.700 -0.650 0.000 2.537 227 S HA 0.790 5.260 4.470 -0.000 0.000 0.270 227 S C -1.769 172.406 174.600 -0.708 0.000 1.142 227 S CA -0.819 57.076 58.200 -0.508 0.000 0.870 227 S CB 1.267 64.367 63.200 -0.167 0.000 1.112 227 S HN 0.377 nan 8.310 nan 0.000 0.466 228 Y N -0.244 120.076 120.300 0.033 0.000 2.421 228 Y HA 0.604 5.154 4.550 -0.000 0.000 0.339 228 Y C 0.475 176.416 175.900 0.068 0.000 0.996 228 Y CA -1.053 57.072 58.100 0.040 0.000 1.046 228 Y CB 1.986 40.488 38.460 0.070 0.000 1.226 228 Y HN 0.695 nan 8.280 nan 0.000 0.445 229 S N 4.629 120.433 115.700 0.173 0.000 2.546 229 S HA 0.283 4.753 4.470 -0.000 0.000 0.290 229 S C -0.145 174.573 174.600 0.197 0.000 1.262 229 S CA -0.095 58.191 58.200 0.144 0.000 1.083 229 S CB -0.707 62.531 63.200 0.063 0.000 0.859 229 S HN 0.556 nan 8.310 nan 0.000 0.495 230 I N 1.109 121.789 120.570 0.182 0.000 3.002 230 I HA 0.789 4.959 4.170 -0.000 0.000 0.310 230 I C -0.748 175.401 176.117 0.054 0.000 1.087 230 I CA -1.101 60.279 61.300 0.133 0.000 1.017 230 I CB 2.303 40.361 38.000 0.097 0.000 1.226 230 I HN 0.418 nan 8.210 nan 0.000 0.443 231 K N 3.594 123.935 120.400 -0.098 0.000 2.570 231 K HA 0.560 4.880 4.320 -0.000 0.000 0.256 231 K C -1.884 174.542 176.600 -0.290 0.000 0.939 231 K CA -0.574 55.658 56.287 -0.090 0.000 0.833 231 K CB 2.814 35.322 32.500 0.014 0.000 1.318 231 K HN 0.774 nan 8.250 nan 0.000 0.433 232 V N -0.342 119.408 119.914 -0.273 0.000 2.919 232 V HA 0.786 4.906 4.120 -0.000 0.000 0.316 232 V C -0.656 175.381 176.094 -0.095 0.000 1.077 232 V CA -0.447 61.665 62.300 -0.314 0.000 0.977 232 V CB 1.809 33.384 31.823 -0.412 0.000 1.039 232 V HN 0.715 nan 8.190 nan 0.000 0.441 233 S N 2.545 118.217 115.700 -0.047 0.000 2.568 233 S HA 0.936 5.406 4.470 -0.000 0.000 0.293 233 S C -0.512 174.102 174.600 0.024 0.000 1.089 233 S CA -1.027 57.185 58.200 0.020 0.000 0.945 233 S CB 1.923 65.156 63.200 0.055 0.000 1.077 233 S HN 1.152 nan 8.310 nan 0.000 0.485 265 T N -2.219 112.348 114.554 0.022 0.000 2.851 265 T HA 0.076 4.426 4.350 -0.000 0.000 0.262 265 T C 0.911 175.610 174.700 -0.002 0.000 1.043 265 T CA 0.749 62.853 62.100 0.007 0.000 1.140 265 T CB 0.967 69.840 68.868 0.008 0.000 0.872 265 T HN 0.299 nan 8.240 nan 0.000 0.446 266 R N -1.048 119.465 120.500 0.021 0.000 2.855 266 R HA 0.716 5.056 4.340 -0.000 0.000 0.266 266 R C -1.993 174.384 176.300 0.128 0.000 1.034 266 R CA -0.940 55.173 56.100 0.023 0.000 0.944 266 R CB 1.979 32.235 30.300 -0.074 0.000 1.219 266 R HN 0.324 nan 8.270 nan 0.000 0.474 270 D N 1.329 121.817 120.400 0.147 0.000 2.389 270 D HA 0.220 4.860 4.640 -0.000 0.000 0.263 270 D C 1.338 177.595 176.300 -0.072 0.000 1.255 270 D CA 1.357 55.379 54.000 0.037 0.000 0.914 270 D CB 1.446 42.355 40.800 0.182 0.000 1.116 270 D HN 0.954 nan 8.370 nan 0.000 0.502 271 G N 4.502 113.163 108.800 -0.232 0.000 2.501 271 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.220 271 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.220 271 G C 0.939 175.793 174.900 -0.076 0.000 1.114 271 G CA 0.344 45.299 45.100 -0.241 0.000 0.757 271 G HN 0.463 nan 8.290 nan 0.000 0.559 275 D N -0.382 119.935 120.400 -0.138 0.000 2.289 275 D HA -0.085 4.555 4.640 -0.000 0.000 0.207 275 D C 1.344 177.538 176.300 -0.178 0.000 0.966 275 D CA 0.790 54.687 54.000 -0.171 0.000 0.868 275 D CB 0.221 40.953 40.800 -0.112 0.000 0.943 275 D HN 0.656 nan 8.370 nan 0.000 0.514 276 E N 0.660 120.786 120.200 -0.122 0.000 2.150 276 E HA -0.126 4.224 4.350 -0.000 0.000 0.193 276 E C 1.966 178.460 176.600 -0.177 0.000 0.985 276 E CA 0.719 57.068 56.400 -0.086 0.000 0.814 276 E CB -0.232 29.476 29.700 0.013 0.000 0.752 276 E HN 0.224 nan 8.360 nan 0.000 0.466 277 V N 0.848 120.578 119.914 -0.306 0.000 2.951 277 V HA -0.025 4.095 4.120 -0.000 0.000 0.255 277 V C 2.009 177.892 176.094 -0.351 0.000 1.088 277 V CA 0.582 62.566 62.300 -0.527 0.000 1.109 277 V CB -0.081 31.452 31.823 -0.483 0.000 0.724 277 V HN 0.358 nan 8.190 nan 0.000 0.471 278 L N -0.023 120.985 121.223 -0.358 0.000 2.056 278 L HA -0.090 4.250 4.340 -0.000 0.000 0.207 278 L C 2.748 179.397 176.870 -0.368 0.000 1.078 278 L CA 1.632 56.205 54.840 -0.445 0.000 0.749 278 L CB -0.263 41.464 42.059 -0.555 0.000 0.901 278 L HN 0.236 nan 8.230 nan 0.000 0.433 279 R N -1.728 118.612 120.500 -0.266 0.000 2.237 279 R HA -0.168 4.172 4.340 -0.000 0.000 0.219 279 R C 1.611 177.798 176.300 -0.188 0.000 1.080 279 R CA 0.901 56.875 56.100 -0.210 0.000 0.995 279 R CB -0.120 30.092 30.300 -0.147 0.000 0.875 279 R HN 0.368 nan 8.270 nan 0.000 0.462 280 Y N 0.414 120.519 120.300 -0.325 0.000 2.578 280 Y HA 0.076 4.626 4.550 -0.000 0.000 0.297 280 Y C 0.630 176.395 175.900 -0.224 0.000 1.176 280 Y CA 0.234 58.152 58.100 -0.304 0.000 1.315 280 Y CB 0.233 38.381 38.460 -0.520 0.000 1.031 280 Y HN -0.015 nan 8.280 nan 0.000 0.524 293 I N 3.774 124.460 120.570 0.194 0.000 2.307 293 I HA 0.291 4.461 4.170 -0.000 0.000 0.287 293 I C 0.828 176.867 176.117 -0.130 0.000 1.054 293 I CA -0.619 60.711 61.300 0.050 0.000 1.218 293 I CB 0.925 38.949 38.000 0.040 0.000 1.398 293 I HN 0.703 nan 8.210 nan 0.000 0.475 294 R N 4.567 124.855 120.500 -0.354 0.000 2.401 294 R HA 0.416 4.756 4.340 -0.000 0.000 0.299 294 R C -0.068 175.993 176.300 -0.399 0.000 1.064 294 R CA -0.306 55.321 56.100 -0.789 0.000 1.000 294 R CB 0.401 30.246 30.300 -0.758 0.000 0.973 294 R HN 0.655 nan 8.270 nan 0.000 0.438 295 S N 1.990 117.459 115.700 -0.385 0.000 3.137 295 S HA 0.633 5.103 4.470 -0.000 0.000 0.292 295 S C 0.651 175.034 174.600 -0.361 0.000 1.041 295 S CA -0.541 57.492 58.200 -0.279 0.000 0.956 295 S CB 0.320 63.441 63.200 -0.133 0.000 1.360 295 S HN 0.636 nan 8.310 nan 0.000 0.690 296 G N 0.340 108.797 108.800 -0.571 0.000 2.529 296 G HA2 0.216 4.176 3.960 -0.000 0.000 0.234 296 G HA3 0.216 4.176 3.960 -0.000 0.000 0.234 296 G C 0.167 174.968 174.900 -0.165 0.000 1.527 296 G CA -0.372 44.347 45.100 -0.636 0.000 1.062 296 G HN 0.729 nan 8.290 nan 0.000 0.558 297 N N -1.309 117.402 118.700 0.018 0.000 2.236 297 N HA 0.136 4.876 4.740 -0.000 0.000 0.196 297 N C -0.967 174.254 175.510 -0.482 0.000 1.114 297 N CA 0.219 53.151 53.050 -0.197 0.000 0.859 297 N CB 0.634 38.961 38.487 -0.266 0.000 0.982 297 N HN 0.297 nan 8.380 nan 0.000 0.493 298 Y N 0.355 120.713 120.300 0.095 0.000 2.386 298 Y HA 0.290 4.840 4.550 -0.000 0.000 0.334 298 Y C 0.156 176.077 175.900 0.035 0.000 1.002 298 Y CA -1.205 56.866 58.100 -0.048 0.000 1.068 298 Y CB 1.213 39.515 38.460 -0.263 0.000 1.203 298 Y HN -0.273 nan 8.280 nan 0.000 0.443 299 V N -0.424 119.583 119.914 0.155 0.000 3.096 299 V HA 0.522 4.642 4.120 -0.000 0.000 0.319 299 V C 0.633 176.794 176.094 0.112 0.000 1.082 299 V CA -1.080 61.290 62.300 0.118 0.000 1.022 299 V CB 1.673 33.554 31.823 0.096 0.000 1.103 299 V HN 0.944 nan 8.190 nan 0.000 0.455 300 N N -0.265 118.482 118.700 0.078 0.000 2.735 300 N HA -0.155 4.585 4.740 -0.000 0.000 0.248 300 N C 0.409 175.969 175.510 0.083 0.000 1.083 300 N CA 0.612 53.706 53.050 0.074 0.000 0.703 300 N CB -0.635 37.898 38.487 0.076 0.000 1.005 300 N HN 0.720 nan 8.380 nan 0.000 0.550 301 L N 1.226 122.476 121.223 0.045 0.000 2.549 301 L HA -0.134 4.206 4.340 -0.000 0.000 0.230 301 L C 2.581 179.505 176.870 0.091 0.000 1.162 301 L CA 1.491 56.354 54.840 0.038 0.000 0.834 301 L CB -0.422 41.553 42.059 -0.141 0.000 0.947 301 L HN 0.451 nan 8.230 nan 0.000 0.452 302 Q N -1.625 118.228 119.800 0.089 0.000 2.291 302 Q HA -0.233 4.107 4.340 -0.000 0.000 0.206 302 Q C 0.957 177.025 176.000 0.112 0.000 0.976 302 Q CA 1.476 57.340 55.803 0.102 0.000 0.875 302 Q CB -0.490 28.300 28.738 0.085 0.000 0.927 302 Q HN 0.375 nan 8.270 nan 0.000 0.450 303 D N 1.548 122.029 120.400 0.135 0.000 2.265 303 D HA -0.080 4.560 4.640 -0.000 0.000 0.208 303 D C 1.864 178.356 176.300 0.320 0.000 0.977 303 D CA 0.590 54.702 54.000 0.187 0.000 0.871 303 D CB -0.207 40.670 40.800 0.129 0.000 0.925 303 D HN 0.270 nan 8.370 nan 0.000 0.485 304 L N 0.326 121.700 121.223 0.251 0.000 2.351 304 L HA -0.133 4.207 4.340 -0.000 0.000 0.220 304 L C 1.408 178.251 176.870 -0.045 0.000 1.127 304 L CA 0.170 55.057 54.840 0.079 0.000 0.786 304 L CB -0.380 41.690 42.059 0.018 0.000 0.914 304 L HN -0.037 nan 8.230 nan 0.000 0.443 308 P HA 0.279 nan 4.420 nan 0.000 0.276 308 P C -1.314 175.770 177.300 -0.361 0.000 1.244 308 P CA -0.267 62.665 63.100 -0.279 0.000 0.801 308 P CB 0.887 32.465 31.700 -0.204 0.000 1.006 309 N N 1.816 120.182 118.700 -0.557 0.000 2.546 309 N HA 0.239 4.979 4.740 -0.000 0.000 0.238 309 N C -1.780 173.364 175.510 -0.610 0.000 0.984 309 N CA -2.370 50.132 53.050 -0.914 0.000 0.935 309 N CB 0.389 38.078 38.487 -1.330 0.000 1.122 309 N HN 0.077 nan 8.380 nan 0.000 0.510 310 P HA -0.074 nan 4.420 nan 0.000 0.218 310 P C -0.524 176.154 177.300 -1.037 0.000 1.146 310 P CA 1.218 63.631 63.100 -1.145 0.000 0.813 310 P CB 0.007 30.344 31.700 -2.271 0.000 0.778 311 F N -0.830 118.889 119.950 -0.384 0.000 2.344 311 F HA 0.564 5.091 4.527 -0.000 0.000 0.344 311 F C 1.571 177.242 175.800 -0.214 0.000 1.140 311 F CA -0.977 56.875 58.000 -0.247 0.000 1.256 311 F CB -0.945 37.944 39.000 -0.185 0.000 1.573 311 F HN -0.036 nan 8.300 nan 0.000 0.547 312 A N 3.158 125.930 122.820 -0.081 0.000 5.222 312 A HA -0.281 4.039 4.320 -0.000 0.000 0.408 312 A C -1.265 176.253 177.584 -0.110 0.000 1.507 312 A CA 1.814 53.800 52.037 -0.085 0.000 0.959 312 A CB -2.150 16.830 19.000 -0.034 0.000 1.542 312 A HN 0.497 nan 8.150 nan 0.000 0.478 313 P HA 0.350 nan 4.420 nan 0.000 0.270 313 P C 0.461 177.717 177.300 -0.073 0.000 1.754 313 P CA -0.046 62.999 63.100 -0.091 0.000 1.202 313 P CB 0.604 32.262 31.700 -0.070 0.000 1.592 314 R N 0.675 121.145 120.500 -0.051 0.000 2.193 314 R HA 0.172 4.512 4.340 -0.000 0.000 0.213 314 R C 1.331 177.591 176.300 -0.066 0.000 1.055 314 R CA 1.214 57.290 56.100 -0.041 0.000 0.995 314 R CB -0.866 29.424 30.300 -0.016 0.000 0.893 314 R HN 0.191 nan 8.270 nan 0.000 0.459 315 L N 0.587 121.763 121.223 -0.077 0.000 3.014 315 L HA 0.325 4.665 4.340 -0.000 0.000 0.263 315 L C -0.071 176.791 176.870 -0.014 0.000 1.207 315 L CA -0.393 54.407 54.840 -0.065 0.000 1.017 315 L CB 0.103 42.152 42.059 -0.018 0.000 1.360 315 L HN 0.164 nan 8.230 nan 0.000 0.560 316 E N -1.865 118.302 120.200 -0.054 0.000 2.446 316 E HA 0.509 4.859 4.350 -0.000 0.000 0.267 316 E C -0.600 175.963 176.600 -0.062 0.000 0.955 316 E CA -0.694 55.683 56.400 -0.039 0.000 0.842 316 E CB 1.648 31.309 29.700 -0.064 0.000 1.504 316 E HN -0.161 nan 8.360 nan 0.000 0.438 317 T N 0.105 114.612 114.554 -0.077 0.000 3.087 317 T HA 0.095 4.445 4.350 -0.000 0.000 0.283 317 T C 1.178 175.802 174.700 -0.128 0.000 0.956 317 T CA 0.148 62.191 62.100 -0.095 0.000 0.894 317 T CB -0.112 68.709 68.868 -0.079 0.000 1.160 317 T HN 0.479 nan 8.240 nan 0.000 0.532 318 L N 0.971 122.122 121.223 -0.120 0.000 2.552 318 L HA 0.358 4.698 4.340 -0.000 0.000 0.227 318 L C 0.729 177.639 176.870 0.066 0.000 1.146 318 L CA 0.593 55.381 54.840 -0.086 0.000 0.858 318 L CB -0.700 41.305 42.059 -0.089 0.000 0.969 318 L HN 0.132 nan 8.230 nan 0.000 0.451 319 T N -1.691 112.848 114.554 -0.026 0.000 3.305 319 T HA 0.548 4.898 4.350 -0.000 0.000 0.348 319 T C -2.416 172.229 174.700 -0.093 0.000 1.394 319 T CA -1.118 60.961 62.100 -0.035 0.000 1.549 319 T CB 0.573 69.418 68.868 -0.039 0.000 0.962 319 T HN 0.081 nan 8.240 nan 0.000 0.609 320 P HA 0.402 nan 4.420 nan 0.000 0.279 320 P C -0.214 177.017 177.300 -0.115 0.000 1.276 320 P CA -0.487 62.465 63.100 -0.246 0.000 0.801 320 P CB 0.856 32.135 31.700 -0.702 0.000 1.127 321 E N 1.194 121.396 120.200 0.003 0.000 2.606 321 E HA 0.061 4.411 4.350 -0.000 0.000 0.248 321 E C -1.886 174.797 176.600 0.139 0.000 1.005 321 E CA -1.006 55.441 56.400 0.079 0.000 0.946 321 E CB -0.615 29.148 29.700 0.106 0.000 0.928 321 E HN 0.237 nan 8.360 nan 0.000 0.494 322 P HA -0.038 nan 4.420 nan 0.000 0.262 322 P C -0.270 177.078 177.300 0.080 0.000 1.182 322 P CA 0.364 63.525 63.100 0.102 0.000 0.761 322 P CB 0.380 32.130 31.700 0.084 0.000 0.795 323 L N 3.689 124.915 121.223 0.004 0.000 2.371 323 L HA 0.308 4.648 4.340 -0.000 0.000 0.272 323 L C 0.449 177.324 176.870 0.007 0.000 1.124 323 L CA -0.544 54.202 54.840 -0.156 0.000 0.816 323 L CB 0.209 41.896 42.059 -0.621 0.000 1.129 323 L HN 0.188 nan 8.230 nan 0.000 0.448 324 L N 1.620 122.906 121.223 0.104 0.000 2.343 324 L HA 0.323 4.663 4.340 -0.000 0.000 0.275 324 L C 0.571 177.662 176.870 0.369 0.000 1.056 324 L CA -0.345 54.681 54.840 0.310 0.000 0.804 324 L CB 1.576 43.759 42.059 0.206 0.000 1.203 324 L HN 0.535 nan 8.230 nan 0.000 0.440 325 S N 1.389 117.359 115.700 0.451 0.000 2.701 325 S HA 0.066 4.536 4.470 -0.000 0.000 0.317 325 S C 1.154 175.851 174.600 0.162 0.000 1.149 325 S CA -0.661 57.681 58.200 0.236 0.000 1.052 325 S CB -0.014 63.117 63.200 -0.115 0.000 1.257 325 S HN 0.735 nan 8.310 nan 0.000 0.532 326 K N 3.304 123.807 120.400 0.170 0.000 2.283 326 K HA -0.156 4.164 4.320 -0.000 0.000 0.202 326 K C 1.518 178.183 176.600 0.108 0.000 1.048 326 K CA 1.445 57.804 56.287 0.121 0.000 0.948 326 K CB -0.327 32.226 32.500 0.088 0.000 0.742 326 K HN 0.711 nan 8.250 nan 0.000 0.458 327 H N 0.427 119.541 119.070 0.074 0.000 2.299 327 H HA -0.057 4.499 4.556 -0.000 0.000 0.302 327 H C 1.883 177.234 175.328 0.037 0.000 1.078 327 H CA 1.762 57.865 56.048 0.092 0.000 1.323 327 H CB 0.035 29.913 29.762 0.192 0.000 1.381 327 H HN 0.161 nan 8.280 nan 0.000 0.498 328 L N 0.854 122.110 121.223 0.055 0.000 2.046 328 L HA -0.128 4.212 4.340 -0.000 0.000 0.208 328 L C 1.849 178.678 176.870 -0.068 0.000 1.077 328 L CA 1.682 56.383 54.840 -0.231 0.000 0.747 328 L CB -0.526 41.106 42.059 -0.713 0.000 0.896 328 L HN 0.296 nan 8.230 nan 0.000 0.432 329 E N -0.057 120.156 120.200 0.022 0.000 2.153 329 E HA -0.242 4.108 4.350 -0.000 0.000 0.194 329 E C 1.742 178.357 176.600 0.025 0.000 0.988 329 E CA 1.382 57.823 56.400 0.069 0.000 0.811 329 E CB -0.133 29.630 29.700 0.104 0.000 0.746 329 E HN 0.799 nan 8.360 nan 0.000 0.466 330 Q N -0.317 119.481 119.800 -0.004 0.000 2.198 330 Q HA 0.426 4.766 4.340 -0.000 0.000 0.209 330 Q C 0.312 176.287 176.000 -0.041 0.000 0.848 330 Q CA -0.155 55.630 55.803 -0.030 0.000 0.974 330 Q CB 0.573 29.278 28.738 -0.056 0.000 1.115 330 Q HN -0.041 nan 8.270 nan 0.000 0.494 331 A N 2.592 125.400 122.820 -0.020 0.000 2.366 331 A HA 0.313 4.633 4.320 -0.000 0.000 0.249 331 A C -1.317 176.267 177.584 0.001 0.000 1.084 331 A CA -1.196 50.841 52.037 -0.000 0.000 0.794 331 A CB 0.095 19.111 19.000 0.026 0.000 1.034 331 A HN 0.235 nan 8.150 nan 0.000 0.491 332 P HA -0.037 nan 4.420 nan 0.000 0.220 332 P C 0.376 177.680 177.300 0.008 0.000 1.148 332 P CA 1.703 64.805 63.100 0.004 0.000 0.803 332 P CB 0.016 31.719 31.700 0.004 0.000 0.782 333 S N -2.326 113.381 115.700 0.012 0.000 2.625 333 S HA 0.465 4.935 4.470 -0.000 0.000 0.271 333 S C -0.259 174.348 174.600 0.011 0.000 1.161 333 S CA -1.018 57.191 58.200 0.015 0.000 0.820 333 S CB 0.719 63.930 63.200 0.019 0.000 1.137 333 S HN -0.111 nan 8.310 nan 0.000 0.470 337 G N 3.092 111.934 108.800 0.069 0.000 2.514 337 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.217 337 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.217 337 G C 1.511 176.547 174.900 0.226 0.000 1.198 337 G CA 1.584 46.762 45.100 0.130 0.000 0.780 337 G HN 0.163 nan 8.290 nan 0.000 0.565 338 I N 0.803 121.460 120.570 0.145 0.000 2.163 338 I HA -0.130 4.040 4.170 -0.000 0.000 0.243 338 I C 2.602 178.799 176.117 0.133 0.000 1.085 338 I CA 1.133 62.536 61.300 0.173 0.000 1.347 338 I CB -1.242 36.813 38.000 0.093 0.000 1.044 338 I HN 0.195 nan 8.210 nan 0.000 0.408 339 R N 0.755 121.324 120.500 0.115 0.000 2.170 339 R HA -0.167 4.173 4.340 -0.000 0.000 0.242 339 R C 2.273 178.616 176.300 0.072 0.000 1.145 339 R CA 1.337 57.496 56.100 0.098 0.000 0.984 339 R CB 0.071 30.425 30.300 0.091 0.000 0.869 339 R HN 0.410 nan 8.270 nan 0.000 0.455 340 R N -0.830 119.720 120.500 0.083 0.000 2.195 340 R HA 0.138 4.478 4.340 -0.000 0.000 0.197 340 R C 0.500 176.812 176.300 0.021 0.000 0.990 340 R CA 0.337 56.472 56.100 0.058 0.000 1.048 340 R CB 0.501 30.848 30.300 0.078 0.000 0.997 340 R HN -0.066 nan 8.270 nan 0.000 0.502 341 K N 0.768 121.181 120.400 0.022 0.000 2.532 341 K HA 0.156 4.476 4.320 -0.000 0.000 0.265 341 K C -1.657 174.840 176.600 -0.173 0.000 0.948 341 K CA -0.660 55.540 56.287 -0.146 0.000 0.842 341 K CB 1.960 34.256 32.500 -0.339 0.000 1.392 341 K HN -0.248 nan 8.250 nan 0.000 0.436 342 D N 1.412 121.668 120.400 -0.240 0.000 2.362 342 D HA 0.182 4.822 4.640 -0.000 0.000 0.242 342 D C -0.861 175.187 176.300 -0.421 0.000 1.132 342 D CA 0.741 54.625 54.000 -0.193 0.000 0.907 342 D CB 0.397 41.104 40.800 -0.155 0.000 1.195 342 D HN 0.277 nan 8.370 nan 0.000 0.429 343 Y N -0.251 119.963 120.300 -0.143 0.000 2.553 343 Y HA 0.443 4.993 4.550 -0.000 0.000 0.347 343 Y C -0.155 175.603 175.900 -0.237 0.000 1.019 343 Y CA -0.902 57.077 58.100 -0.203 0.000 1.032 343 Y CB 1.618 39.930 38.460 -0.246 0.000 1.284 343 Y HN 0.059 nan 8.280 nan 0.000 0.466 344 L N 4.249 125.381 121.223 -0.152 0.000 2.329 344 L HA 0.564 4.904 4.340 -0.000 0.000 0.279 344 L C -1.196 175.324 176.870 -0.583 0.000 1.014 344 L CA -0.869 53.771 54.840 -0.334 0.000 0.814 344 L CB 1.436 43.285 42.059 -0.350 0.000 1.257 344 L HN 0.463 nan 8.230 nan 0.000 0.424 345 I N 2.798 123.007 120.570 -0.601 0.000 2.410 345 I HA 0.311 4.481 4.170 -0.000 0.000 0.286 345 I C -0.464 175.348 176.117 -0.508 0.000 1.009 345 I CA -0.573 60.328 61.300 -0.665 0.000 1.111 345 I CB 1.401 39.201 38.000 -0.334 0.000 1.262 345 I HN 0.458 nan 8.210 nan 0.000 0.443 346 H N 5.563 124.580 119.070 -0.089 0.000 2.541 346 H HA 0.464 5.020 4.556 -0.000 0.000 0.316 346 H C 0.032 175.559 175.328 0.332 0.000 1.043 346 H CA -0.445 55.728 56.048 0.209 0.000 1.232 346 H CB 2.157 32.109 29.762 0.315 0.000 1.406 346 H HN 0.413 nan 8.280 nan 0.000 0.469 347 V N 1.436 121.462 119.914 0.188 0.000 3.134 347 V HA 0.266 4.386 4.120 -0.000 0.000 0.313 347 V C -1.651 174.304 176.094 -0.232 0.000 1.069 347 V CA -1.948 60.264 62.300 -0.146 0.000 1.048 347 V CB 1.378 32.849 31.823 -0.586 0.000 1.119 347 V HN 0.465 nan 8.190 nan 0.000 0.461 348 P HA -0.330 nan 4.420 nan 0.000 0.203 348 P C 0.869 177.996 177.300 -0.287 0.000 0.836 348 P CA 2.775 65.595 63.100 -0.466 0.000 0.906 348 P CB -0.688 30.352 31.700 -1.101 0.000 0.518 349 Y N -3.297 117.028 120.300 0.042 0.000 2.145 349 Y HA -0.102 4.448 4.550 -0.000 0.000 0.286 349 Y C 1.985 177.925 175.900 0.066 0.000 1.145 349 Y CA 1.224 59.435 58.100 0.184 0.000 1.148 349 Y CB -1.025 37.612 38.460 0.296 0.000 0.981 349 Y HN 0.090 nan 8.280 nan 0.000 0.507 350 Y N -0.410 120.019 120.300 0.216 0.000 2.496 350 Y HA 0.295 4.845 4.550 -0.000 0.000 0.325 350 Y C 0.840 176.748 175.900 0.014 0.000 1.271 350 Y CA -1.397 56.787 58.100 0.141 0.000 1.368 350 Y CB 0.409 38.960 38.460 0.151 0.000 1.415 350 Y HN -0.262 nan 8.280 nan 0.000 0.527 351 T N -0.625 114.068 114.554 0.232 0.000 2.919 351 T HA 0.015 4.365 4.350 -0.000 0.000 0.302 351 T C 0.186 174.915 174.700 0.048 0.000 1.031 351 T CA -0.170 61.987 62.100 0.094 0.000 1.127 351 T CB 0.255 69.083 68.868 -0.067 0.000 0.952 351 T HN 0.491 nan 8.240 nan 0.000 0.540 352 Y N 0.028 120.350 120.300 0.038 0.000 2.561 352 Y HA 0.004 4.554 4.550 -0.000 0.000 0.291 352 Y C 1.925 177.824 175.900 -0.002 0.000 1.141 352 Y CA 0.075 58.200 58.100 0.043 0.000 1.303 352 Y CB -0.179 38.294 38.460 0.021 0.000 1.015 352 Y HN 0.592 nan 8.280 nan 0.000 0.547 353 D N -0.857 119.561 120.400 0.030 0.000 2.264 353 D HA -0.184 4.456 4.640 -0.000 0.000 0.208 353 D C 1.509 177.747 176.300 -0.103 0.000 0.966 353 D CA 1.222 55.172 54.000 -0.083 0.000 0.864 353 D CB -0.432 40.255 40.800 -0.188 0.000 0.933 353 D HN 0.422 nan 8.370 nan 0.000 0.499 354 Y N 0.377 120.691 120.300 0.023 0.000 2.224 354 Y HA -0.187 4.363 4.550 -0.000 0.000 0.289 354 Y C 2.473 178.350 175.900 -0.037 0.000 1.146 354 Y CA 0.451 58.539 58.100 -0.021 0.000 1.182 354 Y CB -0.239 38.190 38.460 -0.051 0.000 0.983 354 Y HN -0.134 nan 8.280 nan 0.000 0.524 355 V N -0.842 119.139 119.914 0.112 0.000 2.270 355 V HA -0.283 3.837 4.120 -0.000 0.000 0.245 355 V C 2.170 178.232 176.094 -0.052 0.000 1.043 355 V CA 1.740 64.037 62.300 -0.005 0.000 1.014 355 V CB -0.835 30.962 31.823 -0.045 0.000 0.645 355 V HN 0.255 nan 8.190 nan 0.000 0.447 356 V N 0.429 120.324 119.914 -0.031 0.000 2.255 356 V HA -0.278 3.842 4.120 -0.000 0.000 0.247 356 V C 2.553 178.627 176.094 -0.034 0.000 1.051 356 V CA 2.160 64.434 62.300 -0.042 0.000 1.018 356 V CB -1.050 30.756 31.823 -0.028 0.000 0.641 356 V HN 0.459 nan 8.190 nan 0.000 0.445 357 R N -0.096 120.390 120.500 -0.022 0.000 2.105 357 R HA -0.141 4.199 4.340 -0.000 0.000 0.239 357 R C 2.283 178.585 176.300 0.004 0.000 1.135 357 R CA 1.646 57.738 56.100 -0.013 0.000 0.967 357 R CB -0.692 29.596 30.300 -0.020 0.000 0.861 357 R HN 0.455 nan 8.270 nan 0.000 0.442 358 L N 1.252 122.483 121.223 0.014 0.000 2.072 358 L HA 0.009 4.349 4.340 -0.000 0.000 0.205 358 L C 1.115 177.968 176.870 -0.027 0.000 1.079 358 L CA 1.297 56.138 54.840 0.003 0.000 0.752 358 L CB -0.257 41.803 42.059 0.000 0.000 0.906 358 L HN 0.004 nan 8.230 nan 0.000 0.436 362 A N 1.575 124.393 122.820 -0.003 0.000 1.969 362 A HA 0.088 4.408 4.320 -0.000 0.000 0.218 362 A C 2.234 179.810 177.584 -0.013 0.000 1.169 362 A CA 1.934 53.965 52.037 -0.010 0.000 0.635 362 A CB -0.392 18.579 19.000 -0.049 0.000 0.810 362 A HN 0.256 nan 8.150 nan 0.000 0.445 363 A N 0.179 122.988 122.820 -0.018 0.000 1.898 363 A HA -0.007 4.313 4.320 -0.000 0.000 0.216 363 A C 2.006 179.589 177.584 -0.002 0.000 1.181 363 A CA 1.440 53.467 52.037 -0.016 0.000 0.620 363 A CB -0.543 18.444 19.000 -0.022 0.000 0.819 363 A HN 0.517 nan 8.150 nan 0.000 0.442 364 I N -0.176 120.395 120.570 0.003 0.000 2.761 364 I HA -0.039 4.131 4.170 -0.000 0.000 0.261 364 I C 1.346 177.476 176.117 0.021 0.000 1.198 364 I CA 0.465 61.772 61.300 0.010 0.000 1.482 364 I CB -0.287 37.717 38.000 0.007 0.000 1.100 364 I HN 0.279 nan 8.210 nan 0.000 0.445 365 S N 3.144 118.861 115.700 0.028 0.000 2.516 365 S HA 0.123 4.593 4.470 -0.000 0.000 0.282 365 S C -0.993 173.641 174.600 0.058 0.000 1.286 365 S CA -1.247 56.980 58.200 0.045 0.000 1.066 365 S CB 0.695 63.937 63.200 0.069 0.000 0.884 365 S HN 0.035 nan 8.310 nan 0.000 0.491 366 P HA -0.027 nan 4.420 nan 0.000 0.221 366 P C 0.365 177.760 177.300 0.159 0.000 1.150 366 P CA 1.008 64.164 63.100 0.093 0.000 0.800 366 P CB -0.008 31.730 31.700 0.063 0.000 0.787 367 D N -0.251 120.223 120.400 0.122 0.000 2.183 367 D HA -0.050 4.590 4.640 -0.000 0.000 0.203 367 D C 0.560 176.912 176.300 0.087 0.000 0.969 367 D CA 0.537 54.624 54.000 0.145 0.000 0.842 367 D CB -0.607 40.199 40.800 0.009 0.000 0.957 367 D HN 0.008 nan 8.370 nan 0.000 0.484 368 V N 1.304 121.263 119.914 0.074 0.000 2.485 368 V HA 0.012 4.132 4.120 -0.000 0.000 0.287 368 V C 1.534 177.447 176.094 -0.300 0.000 1.022 368 V CA 0.410 62.677 62.300 -0.056 0.000 1.067 368 V CB 1.324 33.127 31.823 -0.033 0.000 0.967 368 V HN 0.149 nan 8.190 nan 0.000 0.479 369 S N 3.909 119.331 115.700 -0.463 0.000 2.427 369 S HA 0.094 4.564 4.470 -0.000 0.000 0.224 369 S C 0.539 175.051 174.600 -0.148 0.000 1.047 369 S CA 0.666 58.593 58.200 -0.456 0.000 0.953 369 S CB 0.178 63.136 63.200 -0.403 0.000 0.824 369 S HN 0.942 nan 8.310 nan 0.000 0.502 370 E N -0.815 119.299 120.200 -0.143 0.000 2.454 370 E HA 0.614 4.964 4.350 -0.000 0.000 0.279 370 E C -1.575 174.948 176.600 -0.128 0.000 1.029 370 E CA -1.079 55.262 56.400 -0.099 0.000 0.831 370 E CB 1.062 30.727 29.700 -0.057 0.000 1.405 370 E HN 0.285 nan 8.360 nan 0.000 0.463 371 I N 0.936 121.431 120.570 -0.126 0.000 2.548 371 I HA 0.433 4.603 4.170 -0.000 0.000 0.287 371 I C -0.708 175.291 176.117 -0.197 0.000 1.103 371 I CA -0.719 60.488 61.300 -0.155 0.000 1.049 371 I CB 1.908 39.832 38.000 -0.126 0.000 1.232 371 I HN 0.429 nan 8.210 nan 0.000 0.429 372 R N 5.302 125.608 120.500 -0.324 0.000 2.778 372 R HA 0.896 5.236 4.340 -0.000 0.000 0.277 372 R C -1.466 174.568 176.300 -0.444 0.000 0.977 372 R CA -1.071 54.701 56.100 -0.546 0.000 0.950 372 R CB 2.991 32.537 30.300 -1.257 0.000 1.165 372 R HN 0.434 nan 8.270 nan 0.000 0.474 373 L N 0.160 121.287 121.223 -0.160 0.000 2.592 373 L HA 0.300 4.640 4.340 -0.000 0.000 0.258 373 L C -0.860 176.271 176.870 0.435 0.000 0.926 373 L CA -0.235 54.717 54.840 0.187 0.000 0.885 373 L CB 2.540 44.636 42.059 0.061 0.000 1.380 373 L HN 0.843 nan 8.230 nan 0.000 0.415 374 T N 0.827 115.676 114.554 0.493 0.000 2.909 374 T HA 0.749 5.099 4.350 -0.000 0.000 0.289 374 T C -0.526 174.358 174.700 0.306 0.000 1.005 374 T CA -0.551 61.781 62.100 0.387 0.000 1.084 374 T CB 1.457 70.465 68.868 0.233 0.000 0.975 374 T HN 0.603 nan 8.240 nan 0.000 0.509 375 Q N 1.212 121.160 119.800 0.246 0.000 2.379 375 Q HA 0.239 4.579 4.340 -0.000 0.000 0.278 375 Q C -0.354 175.779 176.000 0.222 0.000 1.068 375 Q CA -0.768 55.160 55.803 0.208 0.000 0.816 375 Q CB 2.167 30.991 28.738 0.143 0.000 1.387 375 Q HN 0.877 nan 8.270 nan 0.000 0.413 376 Y N 2.299 122.653 120.300 0.090 0.000 2.113 376 Y HA -0.011 4.539 4.550 -0.000 0.000 0.269 376 Y C 0.441 176.398 175.900 0.096 0.000 1.098 376 Y CA 1.754 59.907 58.100 0.089 0.000 1.083 376 Y CB 0.424 38.921 38.460 0.061 0.000 0.997 376 Y HN 0.476 nan 8.280 nan 0.000 0.476 377 R N -0.884 119.579 120.500 -0.063 0.000 2.902 377 R HA 0.517 4.857 4.340 -0.000 0.000 0.258 377 R C -1.544 174.766 176.300 0.018 0.000 1.071 377 R CA -0.869 55.158 56.100 -0.122 0.000 1.024 377 R CB 2.045 32.247 30.300 -0.163 0.000 1.184 377 R HN 0.074 nan 8.270 nan 0.000 0.492 378 V N 1.264 121.193 119.914 0.025 0.000 2.328 378 V HA 0.662 4.782 4.120 -0.000 0.000 0.278 378 V C -0.392 175.721 176.094 0.033 0.000 1.021 378 V CA 0.519 62.838 62.300 0.032 0.000 0.838 378 V CB 0.647 32.483 31.823 0.022 0.000 0.999 378 V HN 0.947 nan 8.190 nan 0.000 0.447 379 A N 5.205 128.046 122.820 0.035 0.000 1.633 379 A HA 0.470 4.790 4.320 -0.000 0.000 0.212 379 A C 0.502 178.104 177.584 0.029 0.000 1.823 379 A CA -0.133 51.924 52.037 0.034 0.000 1.343 379 A CB 0.271 19.297 19.000 0.043 0.000 1.309 379 A HN 0.620 nan 8.150 nan 0.000 0.404 380 E N 1.656 121.875 120.200 0.031 0.000 2.227 380 E HA 0.252 4.602 4.350 -0.000 0.000 0.282 380 E C -1.143 175.466 176.600 0.014 0.000 1.015 380 E CA -0.521 55.892 56.400 0.021 0.000 0.823 380 E CB 1.012 30.724 29.700 0.019 0.000 1.081 380 E HN 0.363 nan 8.360 nan 0.000 0.396 381 N N 1.936 120.641 118.700 0.008 0.000 2.508 381 N HA -0.008 4.732 4.740 -0.000 0.000 0.253 381 N C -0.798 174.710 175.510 -0.002 0.000 1.145 381 N CA -0.007 53.044 53.050 0.002 0.000 0.973 381 N CB 0.223 38.710 38.487 0.000 0.000 1.305 381 N HN 0.353 nan 8.380 nan 0.000 0.506 382 S N 1.277 116.975 115.700 -0.003 0.000 2.767 382 S HA 0.377 4.847 4.470 -0.000 0.000 0.300 382 S C 1.155 175.747 174.600 -0.014 0.000 1.123 382 S CA -0.622 57.573 58.200 -0.008 0.000 0.992 382 S CB 1.001 64.199 63.200 -0.003 0.000 1.138 382 S HN 0.357 nan 8.310 nan 0.000 0.550 383 S N 0.419 116.108 115.700 -0.018 0.000 2.383 383 S HA -0.073 4.397 4.470 -0.000 0.000 0.229 383 S C 1.695 176.279 174.600 -0.027 0.000 1.030 383 S CA 1.261 59.448 58.200 -0.022 0.000 1.002 383 S CB -0.781 62.406 63.200 -0.023 0.000 0.829 383 S HN 0.615 nan 8.310 nan 0.000 0.467 384 I N 1.358 121.911 120.570 -0.028 0.000 2.252 384 I HA -0.140 4.030 4.170 -0.000 0.000 0.245 384 I C 2.000 178.093 176.117 -0.040 0.000 1.102 384 I CA 0.853 62.127 61.300 -0.044 0.000 1.385 384 I CB -0.368 37.602 38.000 -0.050 0.000 1.064 384 I HN 0.241 nan 8.210 nan 0.000 0.414 385 I N 0.630 121.185 120.570 -0.025 0.000 2.127 385 I HA -0.257 3.913 4.170 -0.000 0.000 0.241 385 I C 2.680 178.781 176.117 -0.027 0.000 1.075 385 I CA 1.564 62.850 61.300 -0.024 0.000 1.334 385 I CB -1.521 36.470 38.000 -0.014 0.000 1.040 385 I HN 0.171 nan 8.210 nan 0.000 0.405 386 S N 1.243 116.928 115.700 -0.024 0.000 2.402 386 S HA -0.167 4.303 4.470 -0.000 0.000 0.233 386 S C 2.201 176.784 174.600 -0.027 0.000 1.030 386 S CA 1.383 59.570 58.200 -0.023 0.000 1.003 386 S CB -0.395 62.793 63.200 -0.019 0.000 0.813 386 S HN 0.585 nan 8.310 nan 0.000 0.477 387 A N 1.560 124.360 122.820 -0.034 0.000 1.872 387 A HA 0.110 4.430 4.320 -0.000 0.000 0.214 387 A C 2.099 179.657 177.584 -0.043 0.000 1.187 387 A CA 0.900 52.913 52.037 -0.039 0.000 0.614 387 A CB -0.619 18.352 19.000 -0.048 0.000 0.826 387 A HN 0.440 nan 8.150 nan 0.000 0.442 388 L N -0.667 120.526 121.223 -0.049 0.000 2.141 388 L HA -0.179 4.161 4.340 -0.000 0.000 0.209 388 L C 2.518 179.362 176.870 -0.044 0.000 1.094 388 L CA 1.462 56.270 54.840 -0.054 0.000 0.763 388 L CB -0.782 41.241 42.059 -0.059 0.000 0.908 388 L HN 0.496 nan 8.230 nan 0.000 0.437 389 E N 0.613 120.791 120.200 -0.037 0.000 2.038 389 E HA -0.232 4.118 4.350 -0.000 0.000 0.195 389 E C 2.348 178.932 176.600 -0.026 0.000 1.000 389 E CA 1.340 57.721 56.400 -0.030 0.000 0.803 389 E CB -0.199 29.486 29.700 -0.025 0.000 0.750 389 E HN 0.479 nan 8.360 nan 0.000 0.448 390 A N 1.392 124.198 122.820 -0.024 0.000 1.940 390 A HA -0.195 4.125 4.320 -0.000 0.000 0.219 390 A C 2.364 179.936 177.584 -0.019 0.000 1.176 390 A CA 1.900 53.925 52.037 -0.020 0.000 0.631 390 A CB -0.712 18.277 19.000 -0.019 0.000 0.814 390 A HN 0.314 nan 8.150 nan 0.000 0.446 391 A N -0.214 122.590 122.820 -0.027 0.000 1.873 391 A HA 0.180 4.500 4.320 -0.000 0.000 0.215 391 A C 2.532 180.102 177.584 -0.023 0.000 1.186 391 A CA 2.099 54.120 52.037 -0.027 0.000 0.616 391 A CB -1.090 17.884 19.000 -0.042 0.000 0.823 391 A HN 1.106 nan 8.150 nan 0.000 0.442 392 A N -0.717 122.086 122.820 -0.028 0.000 1.933 392 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 392 A C 2.096 179.671 177.584 -0.015 0.000 1.175 392 A CA 1.684 53.706 52.037 -0.025 0.000 0.628 392 A CB -0.543 18.437 19.000 -0.033 0.000 0.814 392 A HN 0.671 nan 8.150 nan 0.000 0.444 393 Q N -0.691 119.101 119.800 -0.014 0.000 2.230 393 Q HA -0.025 4.315 4.340 -0.000 0.000 0.202 393 Q C 1.931 177.929 176.000 -0.003 0.000 0.963 393 Q CA 1.192 56.990 55.803 -0.009 0.000 0.866 393 Q CB -0.103 28.629 28.738 -0.010 0.000 0.931 393 Q HN 0.538 nan 8.270 nan 0.000 0.452 394 S N -0.613 115.086 115.700 -0.002 0.000 2.595 394 S HA 0.025 4.495 4.470 -0.000 0.000 0.235 394 S C 1.129 175.737 174.600 0.014 0.000 0.974 394 S CA 0.736 58.940 58.200 0.007 0.000 0.942 394 S CB -0.106 63.099 63.200 0.008 0.000 0.766 394 S HN 0.695 nan 8.310 nan 0.000 0.536 395 G N 1.146 109.952 108.800 0.010 0.000 2.157 395 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.239 395 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.239 395 G C -0.140 174.773 174.900 0.023 0.000 0.982 395 G CA -0.310 44.799 45.100 0.016 0.000 0.650 395 G HN 0.471 nan 8.290 nan 0.000 0.527 396 K N 0.670 121.076 120.400 0.011 0.000 2.144 396 K HA 0.410 4.730 4.320 -0.000 0.000 0.270 396 K C 0.369 176.963 176.600 -0.010 0.000 1.005 396 K CA -0.562 55.728 56.287 0.005 0.000 0.932 396 K CB 1.148 33.639 32.500 -0.015 0.000 1.021 396 K HN 0.079 nan 8.250 nan 0.000 0.462 397 K N 1.718 122.113 120.400 -0.010 0.000 2.416 397 K HA 0.125 4.445 4.320 -0.000 0.000 0.283 397 K C -0.672 175.900 176.600 -0.047 0.000 1.037 397 K CA -0.038 56.236 56.287 -0.021 0.000 0.995 397 K CB 0.655 33.151 32.500 -0.007 0.000 0.938 397 K HN 0.230 nan 8.250 nan 0.000 0.475 398 V N 3.195 123.075 119.914 -0.057 0.000 2.462 398 V HA 0.102 4.222 4.120 -0.000 0.000 0.288 398 V C -0.539 175.498 176.094 -0.094 0.000 1.020 398 V CA -0.760 61.494 62.300 -0.077 0.000 0.857 398 V CB 1.519 33.300 31.823 -0.070 0.000 1.013 398 V HN 0.859 nan 8.190 nan 0.000 0.431 399 S N 3.981 119.619 115.700 -0.103 0.000 2.537 399 S HA 0.885 5.355 4.470 -0.000 0.000 0.301 399 S C -0.768 173.754 174.600 -0.131 0.000 1.092 399 S CA -0.856 57.249 58.200 -0.158 0.000 1.048 399 S CB 2.374 65.491 63.200 -0.137 0.000 1.053 399 S HN 0.351 nan 8.310 nan 0.000 0.501 400 V N 2.409 122.171 119.914 -0.253 0.000 2.577 400 V HA 0.461 4.581 4.120 -0.000 0.000 0.303 400 V C -1.558 174.395 176.094 -0.234 0.000 1.042 400 V CA -0.639 61.601 62.300 -0.099 0.000 0.872 400 V CB 1.379 33.139 31.823 -0.104 0.000 0.998 400 V HN 0.934 nan 8.190 nan 0.000 0.423 401 F N 4.491 124.452 119.950 0.019 0.000 2.311 401 F HA 0.522 5.049 4.527 -0.000 0.000 0.371 401 F C 0.108 175.921 175.800 0.022 0.000 1.083 401 F CA -0.750 57.272 58.000 0.036 0.000 1.113 401 F CB 1.795 40.898 39.000 0.171 0.000 1.349 401 F HN 0.338 nan 8.300 nan 0.000 0.470 402 V N 4.649 124.571 119.914 0.013 0.000 2.394 402 V HA 0.301 4.421 4.120 -0.000 0.000 0.282 402 V C 0.754 176.929 176.094 0.135 0.000 1.031 402 V CA -0.208 62.115 62.300 0.039 0.000 0.881 402 V CB 1.420 33.203 31.823 -0.066 0.000 0.982 402 V HN 0.884 nan 8.190 nan 0.000 0.451 403 E N 5.539 125.822 120.200 0.138 0.000 2.170 403 E HA 0.058 4.408 4.350 -0.000 0.000 0.191 403 E C 0.318 176.958 176.600 0.066 0.000 0.981 403 E CA 0.060 56.546 56.400 0.144 0.000 0.830 403 E CB 0.334 30.149 29.700 0.193 0.000 0.775 403 E HN 0.527 nan 8.360 nan 0.000 0.470 404 L N 1.311 122.488 121.223 -0.077 0.000 2.356 404 L HA 0.460 4.800 4.340 -0.000 0.000 0.277 404 L C -1.245 175.558 176.870 -0.110 0.000 0.996 404 L CA -0.883 53.859 54.840 -0.165 0.000 0.822 404 L CB 1.911 43.724 42.059 -0.410 0.000 1.256 404 L HN -0.214 nan 8.230 nan 0.000 0.413 405 K N 3.915 124.237 120.400 -0.130 0.000 2.185 405 K HA 0.687 5.007 4.320 -0.000 0.000 0.269 405 K C -0.626 175.858 176.600 -0.194 0.000 0.987 405 K CA -0.334 55.837 56.287 -0.193 0.000 0.865 405 K CB 1.654 33.878 32.500 -0.461 0.000 1.090 405 K HN 0.805 nan 8.250 nan 0.000 0.450 406 A N 4.017 126.742 122.820 -0.158 0.000 2.445 406 A HA 0.141 4.461 4.320 -0.000 0.000 0.242 406 A C 1.175 178.623 177.584 -0.226 0.000 1.075 406 A CA 0.010 51.947 52.037 -0.167 0.000 0.777 406 A CB 0.258 19.203 19.000 -0.093 0.000 1.013 406 A HN 0.869 nan 8.150 nan 0.000 0.493 407 R N 0.908 121.183 120.500 -0.376 0.000 2.062 407 R HA 0.021 4.361 4.340 -0.000 0.000 0.226 407 R C -0.471 175.599 176.300 -0.382 0.000 1.125 407 R CA 1.009 56.811 56.100 -0.497 0.000 0.966 407 R CB -0.280 29.543 30.300 -0.794 0.000 0.861 407 R HN 0.535 nan 8.270 nan 0.000 0.433 408 F N 3.012 122.942 119.950 -0.033 0.000 2.660 408 F HA 0.255 4.782 4.527 -0.000 0.000 0.342 408 F C -0.234 175.551 175.800 -0.024 0.000 1.195 408 F CA -1.691 56.293 58.000 -0.027 0.000 1.300 408 F CB -0.561 38.426 39.000 -0.022 0.000 1.616 408 F HN -0.166 nan 8.300 nan 0.000 0.592 409 D N 1.878 122.320 120.400 0.069 0.000 2.520 409 D HA -0.029 4.611 4.640 -0.000 0.000 0.243 409 D C 0.571 176.900 176.300 0.048 0.000 1.160 409 D CA 0.650 54.669 54.000 0.030 0.000 0.877 409 D CB 0.584 41.380 40.800 -0.008 0.000 1.150 409 D HN 0.354 nan 8.370 nan 0.000 0.494 410 E N 0.662 120.888 120.200 0.044 0.000 2.371 410 E HA 0.041 4.391 4.350 -0.000 0.000 0.257 410 E C 1.320 177.935 176.600 0.025 0.000 1.134 410 E CA -0.226 56.196 56.400 0.037 0.000 0.919 410 E CB 0.611 30.333 29.700 0.037 0.000 1.025 410 E HN 0.455 nan 8.360 nan 0.000 0.438 411 E N 0.702 120.914 120.200 0.021 0.000 2.274 411 E HA -0.165 4.185 4.350 -0.000 0.000 0.194 411 E C 0.622 177.232 176.600 0.016 0.000 0.996 411 E CA 1.020 57.429 56.400 0.016 0.000 0.840 411 E CB -0.039 29.668 29.700 0.013 0.000 0.772 411 E HN 0.339 nan 8.360 nan 0.000 0.491 412 N N 0.870 119.581 118.700 0.018 0.000 2.270 412 N HA -0.088 4.652 4.740 -0.000 0.000 0.181 412 N C 1.333 176.854 175.510 0.019 0.000 1.016 412 N CA 1.105 54.165 53.050 0.017 0.000 0.870 412 N CB -0.121 38.376 38.487 0.018 0.000 0.979 412 N HN 0.129 nan 8.380 nan 0.000 0.431 413 N N 0.412 119.125 118.700 0.022 0.000 2.025 413 N HA -0.065 4.675 4.740 -0.000 0.000 0.194 413 N C 1.302 176.828 175.510 0.027 0.000 1.044 413 N CA 0.792 53.857 53.050 0.026 0.000 0.851 413 N CB -0.503 37.998 38.487 0.025 0.000 1.036 413 N HN 0.051 nan 8.380 nan 0.000 0.422 414 L N 0.744 121.981 121.223 0.023 0.000 2.043 414 L HA -0.129 4.211 4.340 -0.000 0.000 0.212 414 L C 2.337 179.218 176.870 0.018 0.000 1.075 414 L CA 1.438 56.291 54.840 0.022 0.000 0.752 414 L CB -0.734 41.335 42.059 0.016 0.000 0.891 414 L HN 0.131 nan 8.230 nan 0.000 0.432 415 R N -0.728 119.781 120.500 0.014 0.000 2.062 415 R HA -0.147 4.193 4.340 -0.000 0.000 0.231 415 R C 2.190 178.495 176.300 0.008 0.000 1.136 415 R CA 1.238 57.344 56.100 0.010 0.000 0.948 415 R CB -0.680 29.625 30.300 0.009 0.000 0.845 415 R HN 0.228 nan 8.270 nan 0.000 0.430 416 L N 0.502 121.731 121.223 0.010 0.000 2.012 416 L HA -0.183 4.157 4.340 -0.000 0.000 0.210 416 L C 2.131 179.003 176.870 0.003 0.000 1.073 416 L CA 2.531 57.375 54.840 0.006 0.000 0.748 416 L CB -0.948 41.117 42.059 0.009 0.000 0.891 416 L HN 0.416 nan 8.230 nan 0.000 0.431 417 S N -1.532 114.174 115.700 0.010 0.000 2.382 417 S HA -0.251 4.219 4.470 -0.000 0.000 0.228 417 S C 1.978 176.579 174.600 0.000 0.000 1.027 417 S CA 1.184 59.388 58.200 0.007 0.000 0.991 417 S CB -0.784 62.438 63.200 0.037 0.000 0.823 417 S HN 0.658 nan 8.310 nan 0.000 0.469 418 E N 1.467 121.671 120.200 0.006 0.000 2.077 418 E HA -0.103 4.247 4.350 -0.000 0.000 0.193 418 E C 1.558 178.155 176.600 -0.005 0.000 0.989 418 E CA 0.370 56.771 56.400 0.002 0.000 0.800 418 E CB -0.003 29.700 29.700 0.005 0.000 0.746 418 E HN 0.487 nan 8.360 nan 0.000 0.452 422 R N 0.886 121.376 120.500 -0.017 0.000 2.127 422 R HA -0.022 4.318 4.340 -0.000 0.000 0.238 422 R C 1.330 177.620 176.300 -0.016 0.000 1.134 422 R CA 1.891 57.983 56.100 -0.014 0.000 0.975 422 R CB -0.168 30.126 30.300 -0.010 0.000 0.865 422 R HN 0.076 nan 8.270 nan 0.000 0.447 423 S N -1.159 114.529 115.700 -0.020 0.000 2.527 423 S HA 0.093 4.563 4.470 -0.000 0.000 0.222 423 S C 1.308 175.894 174.600 -0.023 0.000 0.985 423 S CA 0.784 58.972 58.200 -0.020 0.000 0.921 423 S CB 0.889 64.076 63.200 -0.022 0.000 0.772 423 S HN 0.686 nan 8.310 nan 0.000 0.529 424 G N 1.022 109.805 108.800 -0.027 0.000 2.255 424 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.196 424 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.196 424 G C 0.069 174.943 174.900 -0.043 0.000 0.998 424 G CA -0.572 44.510 45.100 -0.030 0.000 0.656 424 G HN 0.448 nan 8.290 nan 0.000 0.490 425 I N 1.907 122.446 120.570 -0.052 0.000 2.471 425 I HA 0.260 4.430 4.170 -0.000 0.000 0.286 425 I C 0.975 177.035 176.117 -0.094 0.000 1.079 425 I CA -0.232 61.025 61.300 -0.073 0.000 1.398 425 I CB 0.728 38.685 38.000 -0.072 0.000 1.403 425 I HN -0.005 nan 8.210 nan 0.000 0.530 426 R N 6.170 126.597 120.500 -0.122 0.000 2.220 426 R HA 0.366 4.706 4.340 -0.000 0.000 0.340 426 R C -0.729 175.422 176.300 -0.249 0.000 1.076 426 R CA -0.732 55.272 56.100 -0.161 0.000 0.920 426 R CB 0.436 30.641 30.300 -0.159 0.000 1.062 426 R HN 0.476 nan 8.270 nan 0.000 0.469 427 I N 4.342 124.765 120.570 -0.245 0.000 2.379 427 I HA 0.021 4.191 4.170 -0.000 0.000 0.290 427 I C -0.019 175.830 176.117 -0.447 0.000 1.063 427 I CA -0.027 61.049 61.300 -0.373 0.000 1.351 427 I CB 1.159 38.946 38.000 -0.355 0.000 1.410 427 I HN 0.223 nan 8.210 nan 0.000 0.505 428 V N 4.852 124.414 119.914 -0.586 0.000 2.407 428 V HA 0.450 4.570 4.120 -0.000 0.000 0.291 428 V C -0.653 175.203 176.094 -0.397 0.000 1.018 428 V CA -1.009 61.001 62.300 -0.483 0.000 0.842 428 V CB 0.425 31.872 31.823 -0.625 0.000 0.996 428 V HN 0.371 nan 8.190 nan 0.000 0.426 429 Y N 2.633 122.890 120.300 -0.071 0.000 2.299 429 Y HA 0.503 5.053 4.550 -0.000 0.000 0.326 429 Y C 1.555 177.480 175.900 0.042 0.000 1.164 429 Y CA 0.374 58.467 58.100 -0.011 0.000 1.234 429 Y CB 1.532 39.978 38.460 -0.024 0.000 1.219 429 Y HN 0.988 nan 8.280 nan 0.000 0.497 433 G N 1.579 110.403 108.800 0.040 0.000 4.655 433 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.220 433 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.220 433 G C 0.163 175.095 174.900 0.054 0.000 1.403 433 G CA 0.342 45.466 45.100 0.041 0.000 0.931 433 G HN 0.910 nan 8.290 nan 0.000 0.654 434 L N 0.434 121.697 121.223 0.066 0.000 2.533 434 L HA 0.570 4.910 4.340 -0.000 0.000 0.239 434 L C 0.649 177.573 176.870 0.090 0.000 1.376 434 L CA -0.372 54.517 54.840 0.082 0.000 1.240 434 L CB -0.130 41.989 42.059 0.099 0.000 1.487 434 L HN 0.140 nan 8.230 nan 0.000 0.419 435 K N 0.776 121.227 120.400 0.085 0.000 2.472 435 K HA 0.103 4.423 4.320 -0.000 0.000 0.280 435 K C -0.081 176.585 176.600 0.109 0.000 1.028 435 K CA -0.139 56.210 56.287 0.103 0.000 1.045 435 K CB 1.786 34.341 32.500 0.092 0.000 0.902 435 K HN 0.347 nan 8.250 nan 0.000 0.478 436 V N 4.962 124.949 119.914 0.120 0.000 2.455 436 V HA -0.020 4.100 4.120 -0.000 0.000 0.273 436 V C 1.041 177.232 176.094 0.161 0.000 1.045 436 V CA 0.297 62.650 62.300 0.088 0.000 0.976 436 V CB 0.457 32.294 31.823 0.024 0.000 0.993 436 V HN 0.812 nan 8.190 nan 0.000 0.475 437 H N 5.163 124.239 119.070 0.010 0.000 2.729 437 H HA 0.377 4.933 4.556 -0.000 0.000 0.263 437 H C 1.178 176.486 175.328 -0.033 0.000 0.961 437 H CA 0.435 56.492 56.048 0.016 0.000 1.217 437 H CB 0.721 30.493 29.762 0.018 0.000 1.447 437 H HN 0.746 nan 8.280 nan 0.000 0.496 438 A N 2.651 125.421 122.820 -0.083 0.000 2.524 438 A HA -0.010 4.310 4.320 -0.000 0.000 0.271 438 A C 0.014 177.488 177.584 -0.183 0.000 1.097 438 A CA 0.208 52.137 52.037 -0.180 0.000 0.791 438 A CB -0.141 18.738 19.000 -0.202 0.000 1.028 438 A HN 0.203 nan 8.150 nan 0.000 0.518 439 K N 3.504 123.754 120.400 -0.250 0.000 2.180 439 K HA 0.233 4.553 4.320 -0.000 0.000 0.250 439 K C 0.255 176.695 176.600 -0.266 0.000 1.135 439 K CA 0.148 56.267 56.287 -0.280 0.000 1.037 439 K CB -0.154 32.068 32.500 -0.464 0.000 1.624 439 K HN 0.821 nan 8.250 nan 0.000 0.382 440 T N -1.949 112.656 114.554 0.084 0.000 2.916 440 T HA 0.872 5.222 4.350 -0.000 0.000 0.292 440 T C -0.431 174.631 174.700 0.602 0.000 1.064 440 T CA -1.051 61.229 62.100 0.301 0.000 1.011 440 T CB 2.318 71.216 68.868 0.049 0.000 1.152 440 T HN 0.253 nan 8.240 nan 0.000 0.510 441 A N 0.857 123.967 122.820 0.484 0.000 2.515 441 A HA 0.894 5.214 4.320 -0.000 0.000 0.296 441 A C -1.593 176.104 177.584 0.188 0.000 1.094 441 A CA -0.945 51.245 52.037 0.254 0.000 0.718 441 A CB 1.779 20.746 19.000 -0.056 0.000 1.307 441 A HN 1.223 nan 8.150 nan 0.000 0.408 442 L N 1.130 122.367 121.223 0.024 0.000 2.505 442 L HA 0.702 5.042 4.340 -0.000 0.000 0.266 442 L C -1.771 175.026 176.870 -0.121 0.000 0.954 442 L CA -0.076 54.760 54.840 -0.007 0.000 0.852 442 L CB 1.494 43.601 42.059 0.079 0.000 1.282 442 L HN 0.597 nan 8.230 nan 0.000 0.403 443 I N 5.820 126.303 120.570 -0.145 0.000 2.330 443 I HA 0.370 4.540 4.170 -0.000 0.000 0.289 443 I C -1.031 174.881 176.117 -0.341 0.000 1.001 443 I CA -0.628 60.536 61.300 -0.227 0.000 1.193 443 I CB 1.501 39.359 38.000 -0.236 0.000 1.345 443 I HN 0.375 nan 8.210 nan 0.000 0.461 444 L N 7.626 128.666 121.223 -0.305 0.000 2.307 444 L HA 0.461 4.801 4.340 -0.000 0.000 0.284 444 L C -0.297 176.361 176.870 -0.353 0.000 1.023 444 L CA -0.513 54.141 54.840 -0.311 0.000 0.810 444 L CB 0.839 42.809 42.059 -0.148 0.000 1.231 444 L HN 0.279 nan 8.230 nan 0.000 0.423 445 Y N 1.449 121.674 120.300 -0.126 0.000 2.340 445 Y HA 0.293 4.843 4.550 -0.000 0.000 0.327 445 Y C 0.470 176.253 175.900 -0.194 0.000 1.321 445 Y CA -0.536 57.461 58.100 -0.172 0.000 1.433 445 Y CB 0.238 38.652 38.460 -0.076 0.000 1.373 445 Y HN 0.485 nan 8.280 nan 0.000 0.538 446 H N -0.462 118.717 119.070 0.181 0.000 2.646 446 H HA 0.432 4.988 4.556 -0.000 0.000 0.325 446 H C -0.423 174.944 175.328 0.065 0.000 1.075 446 H CA -0.143 55.955 56.048 0.083 0.000 1.421 446 H CB 0.453 30.247 29.762 0.053 0.000 1.461 446 H HN 0.524 nan 8.280 nan 0.000 0.525 447 T N 1.796 116.443 114.554 0.155 0.000 2.928 447 T HA 0.219 4.569 4.350 -0.000 0.000 0.296 447 T C -1.827 172.907 174.700 0.055 0.000 1.000 447 T CA -1.835 60.315 62.100 0.084 0.000 0.989 447 T CB 1.727 70.625 68.868 0.051 0.000 1.005 447 T HN 0.318 nan 8.240 nan 0.000 0.442 448 P HA -0.254 nan 4.420 nan 0.000 0.241 448 P C 1.065 178.377 177.300 0.020 0.000 0.811 448 P CA 1.969 65.082 63.100 0.022 0.000 1.119 448 P CB -0.328 31.380 31.700 0.013 0.000 0.732 449 A N -1.715 121.114 122.820 0.015 0.000 3.259 449 A HA 0.528 4.848 4.320 -0.000 0.000 0.203 449 A C 1.706 179.300 177.584 0.018 0.000 2.011 449 A CA 0.446 52.492 52.037 0.016 0.000 1.833 449 A CB -0.890 18.117 19.000 0.012 0.000 1.287 449 A HN 0.314 nan 8.150 nan 0.000 0.371 450 G N 0.458 109.268 108.800 0.016 0.000 3.414 450 G HA2 0.377 4.337 3.960 -0.000 0.000 0.258 450 G HA3 0.377 4.337 3.960 -0.000 0.000 0.258 450 G C 0.157 175.063 174.900 0.010 0.000 1.348 450 G CA 0.166 45.278 45.100 0.019 0.000 1.319 450 G HN 0.518 nan 8.290 nan 0.000 0.555 451 E N 0.148 120.352 120.200 0.005 0.000 2.408 451 E HA 0.333 4.683 4.350 -0.000 0.000 0.259 451 E C 0.808 177.398 176.600 -0.016 0.000 1.110 451 E CA -0.540 55.859 56.400 -0.003 0.000 0.929 451 E CB 0.546 30.248 29.700 0.004 0.000 0.971 451 E HN 0.206 nan 8.360 nan 0.000 0.438 452 R N 3.379 123.867 120.500 -0.020 0.000 2.489 452 R HA 0.141 4.481 4.340 -0.000 0.000 0.287 452 R C -2.050 174.224 176.300 -0.044 0.000 1.053 452 R CA -1.244 54.841 56.100 -0.025 0.000 1.036 452 R CB 0.439 30.718 30.300 -0.034 0.000 0.966 452 R HN 0.366 nan 8.270 nan 0.000 0.432 453 P HA -0.076 nan 4.420 nan 0.000 0.261 453 P C -1.361 175.897 177.300 -0.069 0.000 1.203 453 P CA 0.377 63.349 63.100 -0.213 0.000 0.767 453 P CB 0.665 32.005 31.700 -0.600 0.000 0.785 454 Q N 2.669 122.461 119.800 -0.012 0.000 2.331 454 Q HA 0.598 4.938 4.340 -0.000 0.000 0.267 454 Q C -0.602 175.430 176.000 0.054 0.000 1.006 454 Q CA -0.598 55.245 55.803 0.067 0.000 0.818 454 Q CB 1.596 30.410 28.738 0.127 0.000 1.276 454 Q HN 0.630 nan 8.270 nan 0.000 0.450 455 G N 3.378 112.149 108.800 -0.048 0.000 2.619 455 G HA2 0.370 4.330 3.960 -0.000 0.000 0.146 455 G HA3 0.370 4.330 3.960 -0.000 0.000 0.146 455 G C -1.373 173.410 174.900 -0.196 0.000 1.192 455 G CA -0.542 44.316 45.100 -0.403 0.000 1.063 455 G HN 0.563 nan 8.290 nan 0.000 0.538 456 I N 0.961 121.399 120.570 -0.221 0.000 2.647 456 I HA 0.671 4.841 4.170 -0.000 0.000 0.295 456 I C -0.150 175.940 176.117 -0.045 0.000 1.078 456 I CA -1.042 60.209 61.300 -0.082 0.000 1.048 456 I CB 2.191 40.150 38.000 -0.070 0.000 1.239 456 I HN 0.689 nan 8.210 nan 0.000 0.421 457 A N 6.079 128.903 122.820 0.007 0.000 2.365 457 A HA 0.880 5.200 4.320 -0.000 0.000 0.318 457 A C -1.358 176.260 177.584 0.057 0.000 1.091 457 A CA -0.441 51.623 52.037 0.046 0.000 0.763 457 A CB 1.365 20.403 19.000 0.063 0.000 1.248 457 A HN 0.514 nan 8.150 nan 0.000 0.442 458 L N 2.219 123.503 121.223 0.103 0.000 2.349 458 L HA 0.623 4.963 4.340 -0.000 0.000 0.278 458 L C -0.994 176.001 176.870 0.208 0.000 0.996 458 L CA 0.088 55.021 54.840 0.155 0.000 0.825 458 L CB 1.305 43.478 42.059 0.190 0.000 1.243 458 L HN 0.604 nan 8.230 nan 0.000 0.412 459 L N 2.318 123.604 121.223 0.104 0.000 2.385 459 L HA 0.799 5.139 4.340 -0.000 0.000 0.273 459 L C 0.026 176.862 176.870 -0.057 0.000 0.990 459 L CA -0.100 54.747 54.840 0.011 0.000 0.821 459 L CB 2.071 44.107 42.059 -0.038 0.000 1.279 459 L HN 0.522 nan 8.230 nan 0.000 0.412 460 S N -0.880 114.713 115.700 -0.178 0.000 2.599 460 S HA 0.552 5.022 4.470 -0.000 0.000 0.287 460 S C 0.771 175.242 174.600 -0.215 0.000 1.105 460 S CA 0.104 58.171 58.200 -0.220 0.000 0.899 460 S CB 1.630 64.589 63.200 -0.401 0.000 1.100 460 S HN 0.787 nan 8.310 nan 0.000 0.482 461 T N 0.039 114.514 114.554 -0.132 0.000 3.054 461 T HA 0.344 4.694 4.350 -0.000 0.000 0.259 461 T C 0.891 175.599 174.700 0.012 0.000 1.092 461 T CA 0.431 62.486 62.100 -0.075 0.000 1.121 461 T CB -0.206 68.655 68.868 -0.013 0.000 0.912 461 T HN 0.663 nan 8.240 nan 0.000 0.489 462 G N 0.254 109.005 108.800 -0.081 0.000 2.932 462 G HA2 0.532 4.492 3.960 -0.000 0.000 0.283 462 G HA3 0.532 4.492 3.960 -0.000 0.000 0.283 462 G C -0.997 173.717 174.900 -0.311 0.000 1.336 462 G CA -1.132 43.870 45.100 -0.164 0.000 1.056 462 G HN 0.314 nan 8.290 nan 0.000 0.522 463 N N -0.370 118.140 118.700 -0.317 0.000 2.520 463 N HA 0.105 4.845 4.740 -0.000 0.000 0.273 463 N C 0.401 175.828 175.510 -0.139 0.000 1.155 463 N CA -0.393 52.507 53.050 -0.250 0.000 0.967 463 N CB 1.088 39.446 38.487 -0.215 0.000 1.092 463 N HN 0.226 nan 8.380 nan 0.000 0.457 464 F N 0.988 120.927 119.950 -0.019 0.000 2.216 464 F HA -0.049 4.478 4.527 -0.000 0.000 0.300 464 F C 0.811 176.619 175.800 0.012 0.000 1.085 464 F CA 0.770 58.776 58.000 0.011 0.000 1.326 464 F CB -0.161 38.855 39.000 0.027 0.000 1.027 464 F HN 0.374 nan 8.300 nan 0.000 0.497 465 N N 1.094 119.900 118.700 0.177 0.000 2.558 465 N HA 0.001 4.741 4.740 -0.000 0.000 0.233 465 N C -0.145 175.368 175.510 0.005 0.000 1.038 465 N CA -0.069 53.032 53.050 0.085 0.000 0.934 465 N CB 0.071 38.603 38.487 0.075 0.000 1.175 465 N HN 0.175 nan 8.380 nan 0.000 0.512 466 E N 1.794 121.983 120.200 -0.019 0.000 1.881 466 E HA -0.006 4.344 4.350 -0.000 0.000 0.264 466 E C -0.539 175.986 176.600 -0.125 0.000 1.243 466 E CA 0.236 56.570 56.400 -0.110 0.000 0.965 466 E CB -0.144 29.417 29.700 -0.231 0.000 1.055 466 E HN 0.452 nan 8.360 nan 0.000 0.412 467 T N 0.820 115.317 114.554 -0.095 0.000 3.444 467 T HA 0.179 4.529 4.350 -0.000 0.000 0.265 467 T C 0.139 174.805 174.700 -0.056 0.000 1.537 467 T CA -0.731 61.329 62.100 -0.067 0.000 1.530 467 T CB 0.399 69.249 68.868 -0.028 0.000 0.958 467 T HN 0.272 nan 8.240 nan 0.000 0.684 468 T N -1.180 113.337 114.554 -0.062 0.000 2.945 468 T HA 0.816 5.166 4.350 -0.000 0.000 0.286 468 T C 1.137 175.859 174.700 0.037 0.000 1.025 468 T CA -0.216 61.886 62.100 0.002 0.000 1.039 468 T CB 1.777 70.672 68.868 0.046 0.000 1.068 468 T HN 0.308 nan 8.240 nan 0.000 0.497 469 A N 1.985 124.853 122.820 0.081 0.000 1.941 469 A HA 0.436 4.756 4.320 -0.000 0.000 0.214 469 A C 1.302 178.932 177.584 0.077 0.000 1.368 469 A CA 0.001 52.077 52.037 0.065 0.000 0.651 469 A CB -0.567 18.472 19.000 0.065 0.000 1.064 469 A HN 0.863 nan 8.150 nan 0.000 0.492 470 R N 1.034 121.593 120.500 0.098 0.000 2.522 470 R HA 0.170 4.510 4.340 -0.000 0.000 0.284 470 R C -0.736 175.634 176.300 0.116 0.000 1.032 470 R CA 0.079 56.219 56.100 0.066 0.000 1.049 470 R CB -0.124 30.184 30.300 0.013 0.000 0.956 470 R HN 0.306 nan 8.270 nan 0.000 0.422 471 I N 6.705 127.328 120.570 0.087 0.000 2.337 471 I HA 0.105 4.275 4.170 -0.000 0.000 0.291 471 I C -0.141 176.044 176.117 0.112 0.000 1.046 471 I CA -0.317 61.066 61.300 0.139 0.000 1.324 471 I CB -0.180 37.907 38.000 0.145 0.000 1.409 471 I HN 0.614 nan 8.210 nan 0.000 0.494 472 Y N 3.795 124.098 120.300 0.004 0.000 2.310 472 Y HA 0.239 4.789 4.550 -0.000 0.000 0.326 472 Y C 1.090 176.976 175.900 -0.024 0.000 1.151 472 Y CA -0.561 57.544 58.100 0.009 0.000 1.195 472 Y CB 1.416 39.836 38.460 -0.066 0.000 1.210 472 Y HN 0.602 nan 8.280 nan 0.000 0.483 473 S N 2.816 118.610 115.700 0.156 0.000 2.442 473 S HA 0.495 4.965 4.470 -0.000 0.000 0.297 473 S C -1.025 173.696 174.600 0.201 0.000 1.131 473 S CA -0.723 57.537 58.200 0.101 0.000 1.092 473 S CB 0.954 64.229 63.200 0.124 0.000 0.998 473 S HN 0.630 nan 8.310 nan 0.000 0.478 474 D N 1.341 121.840 120.400 0.164 0.000 2.559 474 D HA 0.551 5.191 4.640 -0.000 0.000 0.250 474 D C -1.045 175.348 176.300 0.155 0.000 1.135 474 D CA -0.323 53.775 54.000 0.164 0.000 0.955 474 D CB 2.566 43.431 40.800 0.108 0.000 1.442 474 D HN 0.581 nan 8.370 nan 0.000 0.471 475 T N 0.423 115.046 114.554 0.115 0.000 2.881 475 T HA 0.555 4.905 4.350 -0.000 0.000 0.290 475 T C -0.764 173.927 174.700 -0.015 0.000 1.000 475 T CA -0.383 61.780 62.100 0.104 0.000 0.978 475 T CB 1.696 70.682 68.868 0.197 0.000 0.997 475 T HN 0.149 nan 8.240 nan 0.000 0.443 476 T N 3.394 117.899 114.554 -0.081 0.000 2.841 476 T HA 0.573 4.923 4.350 -0.000 0.000 0.285 476 T C -0.586 174.058 174.700 -0.093 0.000 0.991 476 T CA -0.556 61.506 62.100 -0.063 0.000 0.966 476 T CB 1.543 70.408 68.868 -0.004 0.000 0.962 476 T HN 0.354 nan 8.240 nan 0.000 0.438 480 A N 3.058 125.898 122.820 0.034 0.000 2.564 480 A HA 0.377 4.697 4.320 -0.000 0.000 0.279 480 A C 0.685 178.294 177.584 0.041 0.000 1.232 480 A CA -0.301 51.763 52.037 0.045 0.000 0.950 480 A CB -0.198 18.846 19.000 0.072 0.000 1.138 480 A HN 0.730 nan 8.150 nan 0.000 0.526 481 N N 0.902 119.619 118.700 0.028 0.000 2.411 481 N HA -0.077 4.663 4.740 -0.000 0.000 0.265 481 N C 1.056 176.590 175.510 0.041 0.000 1.266 481 N CA 1.166 54.231 53.050 0.025 0.000 0.889 481 N CB 0.824 39.318 38.487 0.012 0.000 1.069 481 N HN 0.215 nan 8.380 nan 0.000 0.476 482 T N 2.703 117.281 114.554 0.039 0.000 2.849 482 T HA -0.150 4.200 4.350 -0.000 0.000 0.270 482 T C 0.760 175.504 174.700 0.073 0.000 1.066 482 T CA 1.655 63.784 62.100 0.049 0.000 1.130 482 T CB 0.007 68.891 68.868 0.027 0.000 0.864 482 T HN 0.554 nan 8.240 nan 0.000 0.481 483 D N 0.674 121.112 120.400 0.064 0.000 2.103 483 D HA 0.018 4.658 4.640 -0.000 0.000 0.199 483 D C 2.146 178.530 176.300 0.140 0.000 0.978 483 D CA 0.790 54.846 54.000 0.092 0.000 0.829 483 D CB -0.152 40.686 40.800 0.064 0.000 0.981 483 D HN 0.387 nan 8.370 nan 0.000 0.464 484 I N 0.480 121.109 120.570 0.097 0.000 2.202 484 I HA -0.151 4.019 4.170 -0.000 0.000 0.242 484 I C 2.440 178.622 176.117 0.109 0.000 1.091 484 I CA 0.634 61.987 61.300 0.088 0.000 1.368 484 I CB -1.182 36.846 38.000 0.046 0.000 1.058 484 I HN -0.063 nan 8.210 nan 0.000 0.410 485 V N 1.157 121.133 119.914 0.104 0.000 2.282 485 V HA -0.345 3.775 4.120 -0.000 0.000 0.249 485 V C 2.692 178.887 176.094 0.169 0.000 1.057 485 V CA 2.490 64.855 62.300 0.108 0.000 1.032 485 V CB -1.150 30.714 31.823 0.068 0.000 0.645 485 V HN 0.503 nan 8.190 nan 0.000 0.447 486 H N -0.123 119.007 119.070 0.100 0.000 2.421 486 H HA -0.162 4.394 4.556 -0.000 0.000 0.298 486 H C 1.965 177.439 175.328 0.243 0.000 1.087 486 H CA 2.056 58.196 56.048 0.153 0.000 1.330 486 H CB -0.062 29.752 29.762 0.088 0.000 1.388 486 H HN 0.429 nan 8.280 nan 0.000 0.526 487 D N -0.714 119.817 120.400 0.219 0.000 2.123 487 D HA -0.108 4.532 4.640 -0.000 0.000 0.200 487 D C 2.335 178.714 176.300 0.131 0.000 0.976 487 D CA 1.165 55.308 54.000 0.238 0.000 0.831 487 D CB -0.127 40.810 40.800 0.228 0.000 0.974 487 D HN 0.260 nan 8.370 nan 0.000 0.469 488 V N 0.488 120.452 119.914 0.082 0.000 2.358 488 V HA -0.238 3.882 4.120 -0.000 0.000 0.246 488 V C 2.069 178.237 176.094 0.123 0.000 1.047 488 V CA 1.285 63.602 62.300 0.030 0.000 1.035 488 V CB -0.643 31.230 31.823 0.083 0.000 0.658 488 V HN 0.220 nan 8.190 nan 0.000 0.452 489 Y N 1.636 121.965 120.300 0.048 0.000 2.040 489 Y HA -0.362 4.188 4.550 -0.000 0.000 0.275 489 Y C 2.752 178.647 175.900 -0.009 0.000 1.171 489 Y CA 2.522 60.642 58.100 0.033 0.000 1.123 489 Y CB -0.416 38.009 38.460 -0.058 0.000 0.963 489 Y HN 0.076 nan 8.280 nan 0.000 0.493 490 R N -0.266 120.092 120.500 -0.236 0.000 2.091 490 R HA -0.192 4.148 4.340 -0.000 0.000 0.238 490 R C 2.282 178.478 176.300 -0.174 0.000 1.136 490 R CA 1.634 57.544 56.100 -0.316 0.000 0.959 490 R CB -0.624 29.537 30.300 -0.232 0.000 0.856 490 R HN 0.509 nan 8.270 nan 0.000 0.437 491 L N -0.034 121.151 121.223 -0.064 0.000 2.042 491 L HA -0.131 4.209 4.340 -0.000 0.000 0.210 491 L C 1.715 178.375 176.870 -0.349 0.000 1.076 491 L CA 1.752 56.475 54.840 -0.195 0.000 0.749 491 L CB -0.535 41.298 42.059 -0.376 0.000 0.893 491 L HN 0.104 nan 8.230 nan 0.000 0.432 492 F N 0.011 119.775 119.950 -0.310 0.000 2.171 492 F HA -0.132 4.395 4.527 -0.000 0.000 0.300 492 F C 2.619 178.232 175.800 -0.311 0.000 1.090 492 F CA 1.439 59.167 58.000 -0.452 0.000 1.293 492 F CB -0.473 38.289 39.000 -0.397 0.000 1.013 492 F HN 0.028 nan 8.300 nan 0.000 0.486 493 R N -0.367 120.059 120.500 -0.124 0.000 2.096 493 R HA -0.148 4.192 4.340 -0.000 0.000 0.235 493 R C 2.089 178.361 176.300 -0.047 0.000 1.127 493 R CA 1.346 57.377 56.100 -0.115 0.000 0.968 493 R CB -0.568 29.562 30.300 -0.284 0.000 0.861 493 R HN 0.230 nan 8.270 nan 0.000 0.440 494 I N 0.643 121.168 120.570 -0.074 0.000 2.226 494 I HA -0.246 3.924 4.170 -0.000 0.000 0.245 494 I C 1.975 178.113 176.117 0.035 0.000 1.100 494 I CA 1.393 62.688 61.300 -0.008 0.000 1.374 494 I CB -0.105 37.884 38.000 -0.019 0.000 1.057 494 I HN 0.092 nan 8.210 nan 0.000 0.413 495 L N -0.492 120.719 121.223 -0.021 0.000 2.217 495 L HA -0.123 4.217 4.340 -0.000 0.000 0.211 495 L C 1.409 178.464 176.870 0.308 0.000 1.107 495 L CA 0.785 55.664 54.840 0.065 0.000 0.783 495 L CB -0.425 41.523 42.059 -0.185 0.000 0.919 495 L HN 0.150 nan 8.230 nan 0.000 0.442 496 D N 0.273 120.853 120.400 0.300 0.000 2.319 496 D HA 0.074 4.714 4.640 -0.000 0.000 0.230 496 D C 1.513 177.911 176.300 0.165 0.000 1.094 496 D CA 0.616 54.816 54.000 0.334 0.000 0.856 496 D CB 0.050 41.034 40.800 0.306 0.000 0.915 496 D HN 0.265 nan 8.370 nan 0.000 0.517 497 G N 1.611 110.491 108.800 0.133 0.000 2.187 497 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.261 497 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.261 497 G C 0.142 175.081 174.900 0.065 0.000 1.000 497 G CA 0.479 45.635 45.100 0.092 0.000 0.718 497 G HN 0.496 nan 8.290 nan 0.000 0.519 498 D N 1.113 121.544 120.400 0.053 0.000 2.277 498 D HA 0.488 5.128 4.640 -0.000 0.000 0.249 498 D C -1.417 174.897 176.300 0.022 0.000 1.134 498 D CA -1.642 52.377 54.000 0.031 0.000 0.863 498 D CB 1.083 41.890 40.800 0.012 0.000 1.143 498 D HN 0.099 nan 8.370 nan 0.000 0.458 499 P HA 0.102 nan 4.420 nan 0.000 0.265 499 P C -0.946 176.361 177.300 0.010 0.000 1.222 499 P CA 0.179 63.294 63.100 0.024 0.000 0.767 499 P CB 0.716 32.430 31.700 0.024 0.000 0.801 500 E N 3.800 124.002 120.200 0.002 0.000 2.308 500 E HA 0.258 4.608 4.350 -0.000 0.000 0.275 500 E C -2.396 174.183 176.600 -0.036 0.000 0.890 500 E CA -2.071 54.313 56.400 -0.028 0.000 0.754 500 E CB 1.960 31.615 29.700 -0.076 0.000 1.207 500 E HN 0.296 nan 8.360 nan 0.000 0.426 501 P HA -0.029 nan 4.420 nan 0.000 0.243 501 P C -0.397 176.821 177.300 -0.136 0.000 1.134 501 P CA 0.185 63.255 63.100 -0.050 0.000 1.109 501 P CB -0.534 31.150 31.700 -0.027 0.000 1.140 502 A N 5.452 128.208 122.820 -0.106 0.000 2.981 502 A HA 0.183 4.503 4.320 -0.000 0.000 0.280 502 A C 0.726 178.149 177.584 -0.269 0.000 1.797 502 A CA -0.387 51.527 52.037 -0.205 0.000 1.456 502 A CB -0.706 18.407 19.000 0.189 0.000 1.057 502 A HN 0.576 nan 8.150 nan 0.000 0.602 503 R N 0.505 120.718 120.500 -0.479 0.000 2.510 503 R HA 0.626 4.966 4.340 -0.000 0.000 0.294 503 R C -1.848 174.199 176.300 -0.422 0.000 1.056 503 R CA -0.575 55.338 56.100 -0.312 0.000 0.918 503 R CB 0.807 31.046 30.300 -0.103 0.000 1.187 503 R HN 0.146 nan 8.270 nan 0.000 0.437 504 F N 1.496 121.458 119.950 0.020 0.000 2.420 504 F HA 0.302 4.829 4.527 -0.000 0.000 0.342 504 F C 1.774 177.605 175.800 0.052 0.000 1.113 504 F CA -0.474 57.541 58.000 0.026 0.000 1.059 504 F CB 2.132 41.118 39.000 -0.024 0.000 1.128 504 F HN 0.770 nan 8.300 nan 0.000 0.475 505 S N 3.040 118.884 115.700 0.240 0.000 2.343 505 S HA -0.096 4.374 4.470 -0.000 0.000 0.212 505 S C 1.805 176.499 174.600 0.156 0.000 1.033 505 S CA 0.739 59.033 58.200 0.157 0.000 1.004 505 S CB -0.080 63.191 63.200 0.118 0.000 0.977 505 S HN 0.593 nan 8.310 nan 0.000 0.427 506 R N 0.524 121.115 120.500 0.152 0.000 2.206 506 R HA 0.471 4.811 4.340 -0.000 0.000 0.198 506 R C 0.522 176.909 176.300 0.144 0.000 0.986 506 R CA -0.201 55.979 56.100 0.134 0.000 1.029 506 R CB -1.546 28.809 30.300 0.092 0.000 0.966 506 R HN 0.422 nan 8.270 nan 0.000 0.487 507 L N 1.663 122.947 121.223 0.101 0.000 2.436 507 L HA 0.251 4.591 4.340 -0.000 0.000 0.265 507 L C -0.473 176.360 176.870 -0.061 0.000 1.168 507 L CA -0.002 54.830 54.840 -0.014 0.000 0.815 507 L CB 0.588 42.550 42.059 -0.161 0.000 1.109 507 L HN -0.039 nan 8.230 nan 0.000 0.462 508 L N 5.327 126.494 121.223 -0.092 0.000 2.319 508 L HA 0.546 4.886 4.340 -0.000 0.000 0.281 508 L C -0.989 175.771 176.870 -0.182 0.000 1.005 508 L CA -0.789 54.000 54.840 -0.085 0.000 0.828 508 L CB 1.578 43.633 42.059 -0.005 0.000 1.227 508 L HN 0.254 nan 8.230 nan 0.000 0.415 509 V N 1.998 121.775 119.914 -0.229 0.000 2.459 509 V HA 0.429 4.549 4.120 -0.000 0.000 0.295 509 V C 1.058 177.182 176.094 0.051 0.000 1.029 509 V CA -0.183 61.980 62.300 -0.229 0.000 0.874 509 V CB 1.500 32.954 31.823 -0.615 0.000 0.985 509 V HN 0.954 nan 8.190 nan 0.000 0.438 510 A N 4.901 127.748 122.820 0.046 0.000 1.863 510 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 510 A C 1.746 179.363 177.584 0.055 0.000 1.233 510 A CA 1.915 53.971 52.037 0.033 0.000 0.655 510 A CB -0.445 18.563 19.000 0.013 0.000 0.839 510 A HN 0.820 nan 8.150 nan 0.000 0.454 511 R N -1.856 118.709 120.500 0.109 0.000 2.547 511 R HA 0.306 4.646 4.340 -0.000 0.000 0.258 511 R C -0.194 175.984 176.300 -0.204 0.000 1.115 511 R CA -0.019 56.064 56.100 -0.028 0.000 1.152 511 R CB -0.121 30.130 30.300 -0.081 0.000 1.221 511 R HN 0.733 nan 8.270 nan 0.000 0.539 512 Y N -0.623 119.710 120.300 0.055 0.000 2.420 512 Y HA 0.147 4.697 4.550 -0.000 0.000 0.099 512 Y C 0.914 176.857 175.900 0.072 0.000 1.023 512 Y CA -0.901 57.259 58.100 0.101 0.000 1.758 512 Y CB -0.201 38.396 38.460 0.228 0.000 1.102 512 Y HN 0.023 nan 8.280 nan 0.000 0.246 516 E N 1.244 121.384 120.200 -0.101 0.000 2.047 516 E HA 0.001 4.351 4.350 -0.000 0.000 0.191 516 E C 2.855 179.371 176.600 -0.139 0.000 0.987 516 E CA 1.243 57.587 56.400 -0.094 0.000 0.799 516 E CB -0.210 29.465 29.700 -0.043 0.000 0.752 516 E HN 0.391 nan 8.360 nan 0.000 0.449 517 A N 1.518 124.259 122.820 -0.132 0.000 1.883 517 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 517 A C 2.322 179.736 177.584 -0.284 0.000 1.186 517 A CA 1.315 53.256 52.037 -0.160 0.000 0.624 517 A CB -0.786 18.149 19.000 -0.107 0.000 0.822 517 A HN 0.163 nan 8.150 nan 0.000 0.444 518 I N -0.823 119.529 120.570 -0.364 0.000 2.163 518 I HA -0.256 3.914 4.170 -0.000 0.000 0.243 518 I C 2.675 178.492 176.117 -0.501 0.000 1.085 518 I CA 1.842 62.818 61.300 -0.540 0.000 1.347 518 I CB -0.680 36.808 38.000 -0.853 0.000 1.044 518 I HN 0.262 nan 8.210 nan 0.000 0.408 519 T N 0.784 115.098 114.554 -0.399 0.000 2.684 519 T HA -0.178 4.172 4.350 -0.000 0.000 0.267 519 T C 1.674 176.232 174.700 -0.236 0.000 1.036 519 T CA 1.765 63.689 62.100 -0.293 0.000 1.148 519 T CB -0.310 68.432 68.868 -0.210 0.000 0.863 519 T HN 0.301 nan 8.240 nan 0.000 0.436 520 N N 1.129 119.696 118.700 -0.222 0.000 2.104 520 N HA 0.005 4.745 4.740 -0.000 0.000 0.190 520 N C 1.841 177.198 175.510 -0.255 0.000 1.024 520 N CA 0.869 53.806 53.050 -0.188 0.000 0.853 520 N CB -0.666 37.732 38.487 -0.149 0.000 1.008 520 N HN 0.334 nan 8.380 nan 0.000 0.424 521 L N 0.473 121.442 121.223 -0.423 0.000 2.042 521 L HA -0.119 4.221 4.340 -0.000 0.000 0.210 521 L C 2.028 178.546 176.870 -0.588 0.000 1.076 521 L CA 0.922 55.314 54.840 -0.747 0.000 0.749 521 L CB -0.376 40.807 42.059 -1.460 0.000 0.893 521 L HN 0.132 nan 8.230 nan 0.000 0.432 522 I N -0.580 119.786 120.570 -0.339 0.000 2.202 522 I HA -0.252 3.918 4.170 -0.000 0.000 0.242 522 I C 2.402 178.497 176.117 -0.037 0.000 1.091 522 I CA 1.075 62.346 61.300 -0.048 0.000 1.368 522 I CB -0.216 37.763 38.000 -0.034 0.000 1.058 522 I HN 0.167 nan 8.210 nan 0.000 0.410 523 E N 0.787 120.934 120.200 -0.087 0.000 2.418 523 E HA -0.167 4.183 4.350 -0.000 0.000 0.197 523 E C 2.092 178.672 176.600 -0.034 0.000 1.026 523 E CA 0.673 57.043 56.400 -0.050 0.000 0.862 523 E CB -0.106 29.556 29.700 -0.064 0.000 0.799 523 E HN 0.231 nan 8.360 nan 0.000 0.518 524 R N -0.197 120.272 120.500 -0.052 0.000 2.210 524 R HA 0.002 4.342 4.340 -0.000 0.000 0.203 524 R C 1.336 177.653 176.300 0.029 0.000 1.010 524 R CA 0.664 56.750 56.100 -0.024 0.000 1.008 524 R CB 0.250 30.517 30.300 -0.055 0.000 0.923 524 R HN 0.059 nan 8.270 nan 0.000 0.469 525 E N 0.619 120.855 120.200 0.061 0.000 2.076 525 E HA -0.105 4.245 4.350 -0.000 0.000 0.190 525 E C 2.002 178.661 176.600 0.099 0.000 0.979 525 E CA 0.801 57.275 56.400 0.123 0.000 0.807 525 E CB 0.026 29.840 29.700 0.190 0.000 0.761 525 E HN 0.396 nan 8.360 nan 0.000 0.454 526 I N 1.145 121.759 120.570 0.072 0.000 2.179 526 I HA -0.262 3.908 4.170 -0.000 0.000 0.242 526 I C 2.555 178.700 176.117 0.046 0.000 1.088 526 I CA 1.091 62.426 61.300 0.059 0.000 1.357 526 I CB -0.138 37.888 38.000 0.043 0.000 1.051 526 I HN 0.043 nan 8.210 nan 0.000 0.409 527 E N 1.577 121.797 120.200 0.033 0.000 2.049 527 E HA -0.260 4.090 4.350 -0.000 0.000 0.198 527 E C 1.806 178.428 176.600 0.037 0.000 1.007 527 E CA 1.895 58.311 56.400 0.026 0.000 0.809 527 E CB -0.296 29.413 29.700 0.014 0.000 0.749 527 E HN 0.414 nan 8.360 nan 0.000 0.450 528 N N -0.831 117.900 118.700 0.051 0.000 2.205 528 N HA -0.155 4.585 4.740 -0.000 0.000 0.186 528 N C 1.711 177.261 175.510 0.068 0.000 1.015 528 N CA 1.049 54.136 53.050 0.062 0.000 0.862 528 N CB 0.092 38.630 38.487 0.085 0.000 0.986 528 N HN 0.038 nan 8.380 nan 0.000 0.429 529 V N 1.750 121.706 119.914 0.071 0.000 2.270 529 V HA -0.206 3.914 4.120 -0.000 0.000 0.245 529 V C 1.962 178.084 176.094 0.048 0.000 1.043 529 V CA 1.548 63.887 62.300 0.065 0.000 1.014 529 V CB -0.331 31.533 31.823 0.068 0.000 0.645 529 V HN 0.260 nan 8.190 nan 0.000 0.447 530 K N -0.019 120.406 120.400 0.041 0.000 2.286 530 K HA -0.144 4.176 4.320 -0.000 0.000 0.203 530 K C 1.773 178.390 176.600 0.028 0.000 1.045 530 K CA 0.832 57.137 56.287 0.031 0.000 0.935 530 K CB -0.138 32.377 32.500 0.025 0.000 0.737 530 K HN 0.296 nan 8.250 nan 0.000 0.460 531 R N -0.385 120.135 120.500 0.032 0.000 2.388 531 R HA 0.084 4.424 4.340 -0.000 0.000 0.247 531 R C 1.087 177.407 176.300 0.032 0.000 0.931 531 R CA 0.588 56.706 56.100 0.029 0.000 1.082 531 R CB 0.347 30.665 30.300 0.029 0.000 1.135 531 R HN 0.435 nan 8.270 nan 0.000 0.525 532 G N 1.206 110.027 108.800 0.035 0.000 2.176 532 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.253 532 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.253 532 G C 0.059 174.985 174.900 0.044 0.000 0.979 532 G CA 0.178 45.299 45.100 0.035 0.000 0.641 532 G HN 0.321 nan 8.290 nan 0.000 0.530 533 K N 0.231 120.664 120.400 0.055 0.000 2.098 533 K HA 0.509 4.829 4.320 -0.000 0.000 0.258 533 K C 0.730 177.387 176.600 0.096 0.000 0.973 533 K CA -0.905 55.426 56.287 0.074 0.000 0.898 533 K CB 1.310 33.856 32.500 0.077 0.000 1.057 533 K HN 0.252 nan 8.250 nan 0.000 0.447 534 R N 0.597 121.168 120.500 0.117 0.000 2.585 534 R HA 0.028 4.368 4.340 -0.000 0.000 0.275 534 R C -0.365 176.058 176.300 0.205 0.000 1.018 534 R CA 0.277 56.454 56.100 0.129 0.000 1.072 534 R CB 0.241 30.596 30.300 0.092 0.000 0.953 534 R HN 0.807 nan 8.270 nan 0.000 0.419 535 G N 3.081 111.989 108.800 0.179 0.000 2.478 535 G HA2 0.432 4.392 3.960 -0.000 0.000 0.317 535 G HA3 0.432 4.392 3.960 -0.000 0.000 0.317 535 G C -2.024 173.046 174.900 0.283 0.000 1.259 535 G CA -0.288 44.950 45.100 0.230 0.000 0.933 535 G HN 0.566 nan 8.290 nan 0.000 0.478 539 L N 4.693 125.766 121.223 -0.250 0.000 2.356 539 L HA 0.605 4.945 4.340 -0.000 0.000 0.277 539 L C -0.425 176.355 176.870 -0.150 0.000 0.996 539 L CA -0.539 54.171 54.840 -0.216 0.000 0.822 539 L CB 2.061 43.886 42.059 -0.390 0.000 1.256 539 L HN 0.516 nan 8.230 nan 0.000 0.413 543 G N 0.570 109.297 108.800 -0.121 0.000 2.368 543 G HA2 0.517 4.477 3.960 -0.000 0.000 0.293 543 G HA3 0.517 4.477 3.960 -0.000 0.000 0.293 543 G C -2.394 172.425 174.900 -0.135 0.000 1.467 543 G CA -0.896 44.123 45.100 -0.135 0.000 0.804 543 G HN 0.186 nan 8.290 nan 0.000 0.535 544 L N -1.321 119.818 121.223 -0.140 0.000 2.457 544 L HA 0.655 4.995 4.340 -0.000 0.000 0.266 544 L C 0.812 177.620 176.870 -0.103 0.000 0.979 544 L CA -0.783 53.978 54.840 -0.132 0.000 0.857 544 L CB 1.865 43.812 42.059 -0.186 0.000 1.213 544 L HN 0.649 nan 8.230 nan 0.000 0.418 545 Q N 1.390 121.147 119.800 -0.071 0.000 2.287 545 Q HA -0.001 4.339 4.340 -0.000 0.000 0.201 545 Q C -0.011 175.967 176.000 -0.038 0.000 0.946 545 Q CA 0.522 56.289 55.803 -0.059 0.000 0.868 545 Q CB 0.305 29.013 28.738 -0.051 0.000 0.967 545 Q HN 0.859 nan 8.270 nan 0.000 0.516 546 D N 2.099 122.495 120.400 -0.007 0.000 2.586 546 D HA -0.114 4.526 4.640 -0.000 0.000 0.234 546 D C 0.942 177.242 176.300 -0.000 0.000 1.132 546 D CA 0.449 54.463 54.000 0.022 0.000 0.860 546 D CB 0.775 41.622 40.800 0.078 0.000 1.159 546 D HN 0.186 nan 8.370 nan 0.000 0.490 547 K N 3.545 123.945 120.400 0.000 0.000 2.002 547 K HA -0.231 4.089 4.320 -0.000 0.000 0.209 547 K C 1.407 178.000 176.600 -0.011 0.000 1.048 547 K CA 0.915 57.195 56.287 -0.011 0.000 0.930 547 K CB -0.071 32.430 32.500 0.002 0.000 0.714 547 K HN 0.371 nan 8.250 nan 0.000 0.438 548 N N 0.779 119.486 118.700 0.012 0.000 2.137 548 N HA -0.166 4.574 4.740 -0.000 0.000 0.190 548 N C 1.761 177.276 175.510 0.008 0.000 1.017 548 N CA 1.749 54.806 53.050 0.013 0.000 0.859 548 N CB -0.169 38.335 38.487 0.028 0.000 1.002 548 N HN 0.316 nan 8.380 nan 0.000 0.428 549 V N -2.230 117.704 119.914 0.034 0.000 2.725 549 V HA 0.112 4.232 4.120 -0.000 0.000 0.247 549 V C 2.126 178.214 176.094 -0.010 0.000 1.058 549 V CA 0.648 62.999 62.300 0.085 0.000 1.080 549 V CB -0.483 31.518 31.823 0.296 0.000 0.713 549 V HN 0.092 nan 8.190 nan 0.000 0.465 550 I N 2.651 123.149 120.570 -0.120 0.000 2.208 550 I HA -0.235 3.935 4.170 -0.000 0.000 0.245 550 I C 2.922 178.690 176.117 -0.582 0.000 1.097 550 I CA 2.370 63.452 61.300 -0.363 0.000 1.363 550 I CB -0.500 37.299 38.000 -0.336 0.000 1.051 550 I HN 0.594 nan 8.210 nan 0.000 0.413 551 T N -2.262 112.138 114.554 -0.256 0.000 2.904 551 T HA -0.187 4.163 4.350 -0.000 0.000 0.267 551 T C 1.782 176.484 174.700 0.003 0.000 1.059 551 T CA 0.884 62.949 62.100 -0.058 0.000 1.137 551 T CB -0.271 68.631 68.868 0.056 0.000 0.879 551 T HN 0.362 nan 8.240 nan 0.000 0.467 552 Q N 0.478 120.266 119.800 -0.019 0.000 2.124 552 Q HA 0.075 4.415 4.340 -0.000 0.000 0.202 552 Q C 2.341 178.370 176.000 0.049 0.000 0.977 552 Q CA 1.283 57.096 55.803 0.018 0.000 0.850 552 Q CB -0.376 28.363 28.738 0.002 0.000 0.901 552 Q HN 0.560 nan 8.270 nan 0.000 0.429 553 L N -0.805 120.425 121.223 0.011 0.000 2.141 553 L HA -0.191 4.149 4.340 -0.000 0.000 0.209 553 L C 2.031 178.967 176.870 0.110 0.000 1.094 553 L CA 0.779 55.635 54.840 0.025 0.000 0.763 553 L CB -0.458 41.559 42.059 -0.070 0.000 0.908 553 L HN 0.247 nan 8.230 nan 0.000 0.437 554 Y N 0.256 120.580 120.300 0.041 0.000 2.181 554 Y HA -0.163 4.387 4.550 -0.000 0.000 0.288 554 Y C 2.780 178.699 175.900 0.032 0.000 1.146 554 Y CA 0.730 58.849 58.100 0.032 0.000 1.164 554 Y CB -0.716 37.759 38.460 0.025 0.000 0.982 554 Y HN 0.061 nan 8.280 nan 0.000 0.515 555 R N -0.324 120.291 120.500 0.191 0.000 2.091 555 R HA -0.180 4.160 4.340 -0.000 0.000 0.238 555 R C 2.419 178.777 176.300 0.098 0.000 1.136 555 R CA 1.348 57.516 56.100 0.114 0.000 0.959 555 R CB -0.503 29.842 30.300 0.075 0.000 0.856 555 R HN 0.316 nan 8.270 nan 0.000 0.437 556 A N -0.213 122.670 122.820 0.105 0.000 1.930 556 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 556 A C 2.147 179.795 177.584 0.107 0.000 1.175 556 A CA 1.625 53.723 52.037 0.101 0.000 0.627 556 A CB -0.497 18.570 19.000 0.113 0.000 0.815 556 A HN 0.311 nan 8.150 nan 0.000 0.443 557 S N -0.299 115.477 115.700 0.127 0.000 2.359 557 S HA -0.217 4.253 4.470 -0.000 0.000 0.224 557 S C 1.894 176.544 174.600 0.083 0.000 1.035 557 S CA 1.926 60.196 58.200 0.117 0.000 1.018 557 S CB -0.309 62.983 63.200 0.154 0.000 0.876 557 S HN 0.679 nan 8.310 nan 0.000 0.448 558 E N 0.776 121.021 120.200 0.075 0.000 2.106 558 E HA 0.067 4.417 4.350 -0.000 0.000 0.192 558 E C 1.824 178.452 176.600 0.047 0.000 0.984 558 E CA 0.915 57.344 56.400 0.048 0.000 0.806 558 E CB -0.208 29.514 29.700 0.037 0.000 0.750 558 E HN 0.543 nan 8.360 nan 0.000 0.458 559 A N 0.392 123.246 122.820 0.056 0.000 2.265 559 A HA 0.296 4.616 4.320 -0.000 0.000 0.213 559 A C 1.527 179.145 177.584 0.058 0.000 1.255 559 A CA 0.690 52.758 52.037 0.052 0.000 0.862 559 A CB -0.839 18.193 19.000 0.052 0.000 0.852 559 A HN 0.322 nan 8.150 nan 0.000 0.484 560 G N -1.789 107.047 108.800 0.060 0.000 2.143 560 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.249 560 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.249 560 G C 0.128 175.076 174.900 0.081 0.000 0.981 560 G CA 0.137 45.274 45.100 0.062 0.000 0.665 560 G HN 0.828 nan 8.290 nan 0.000 0.528 561 V N 1.306 121.278 119.914 0.097 0.000 2.432 561 V HA 0.340 4.460 4.120 -0.000 0.000 0.271 561 V C 0.768 176.946 176.094 0.139 0.000 1.046 561 V CA -0.504 61.872 62.300 0.128 0.000 0.945 561 V CB 1.263 33.166 31.823 0.135 0.000 0.992 561 V HN 0.432 nan 8.190 nan 0.000 0.471 562 E N 4.869 125.173 120.200 0.174 0.000 2.360 562 E HA 0.449 4.799 4.350 -0.000 0.000 0.269 562 E C -0.773 175.995 176.600 0.278 0.000 1.022 562 E CA 0.025 56.551 56.400 0.209 0.000 0.887 562 E CB 1.073 30.885 29.700 0.187 0.000 0.990 562 E HN 0.524 nan 8.360 nan 0.000 0.426 563 I N 2.466 123.154 120.570 0.196 0.000 2.534 563 I HA 0.183 4.353 4.170 -0.000 0.000 0.288 563 I C -0.822 175.352 176.117 0.095 0.000 1.077 563 I CA -0.673 60.684 61.300 0.096 0.000 1.051 563 I CB 1.876 39.903 38.000 0.045 0.000 1.234 563 I HN 0.340 nan 8.210 nan 0.000 0.425 564 D N 7.369 127.792 120.400 0.040 0.000 2.256 564 D HA 0.494 5.134 4.640 -0.000 0.000 0.240 564 D C -0.719 175.539 176.300 -0.071 0.000 1.062 564 D CA -0.173 53.842 54.000 0.025 0.000 0.832 564 D CB 2.366 43.217 40.800 0.085 0.000 1.135 564 D HN 0.275 nan 8.370 nan 0.000 0.484 565 L N 3.907 125.092 121.223 -0.064 0.000 2.298 565 L HA 0.479 4.819 4.340 -0.000 0.000 0.284 565 L C -0.008 176.810 176.870 -0.087 0.000 1.013 565 L CA -0.666 54.111 54.840 -0.106 0.000 0.824 565 L CB 1.480 43.471 42.059 -0.114 0.000 1.221 565 L HN 0.190 nan 8.230 nan 0.000 0.418 566 I N 5.156 125.670 120.570 -0.094 0.000 2.307 566 I HA 0.429 4.599 4.170 -0.000 0.000 0.289 566 I C -0.080 175.980 176.117 -0.095 0.000 1.021 566 I CA -0.645 60.609 61.300 -0.076 0.000 1.224 566 I CB 1.385 39.351 38.000 -0.056 0.000 1.376 566 I HN 0.320 nan 8.210 nan 0.000 0.470 567 V N 3.409 123.261 119.914 -0.103 0.000 3.160 567 V HA 0.617 4.737 4.120 -0.000 0.000 0.310 567 V C 0.121 176.137 176.094 -0.130 0.000 1.181 567 V CA -0.797 61.429 62.300 -0.124 0.000 1.047 567 V CB 2.070 33.802 31.823 -0.153 0.000 1.068 567 V HN 0.845 nan 8.190 nan 0.000 0.441 568 R N 0.966 121.387 120.500 -0.133 0.000 2.306 568 R HA 0.590 4.930 4.340 -0.000 0.000 0.183 568 R C 1.431 177.610 176.300 -0.202 0.000 0.937 568 R CA 0.492 56.513 56.100 -0.132 0.000 1.118 568 R CB -0.319 29.954 30.300 -0.045 0.000 1.224 568 R HN 0.830 nan 8.270 nan 0.000 0.597 569 G N 2.018 110.708 108.800 -0.182 0.000 2.722 569 G HA2 0.293 4.253 3.960 -0.000 0.000 0.201 569 G HA3 0.293 4.253 3.960 -0.000 0.000 0.201 569 G C -0.211 174.498 174.900 -0.319 0.000 1.926 569 G CA -0.383 44.589 45.100 -0.213 0.000 0.872 569 G HN 0.019 nan 8.290 nan 0.000 0.581 570 I N 0.390 120.817 120.570 -0.239 0.000 2.312 570 I HA 0.496 4.665 4.170 -0.000 0.000 0.290 570 I C -0.504 175.494 176.117 -0.199 0.000 1.008 570 I CA -0.356 60.796 61.300 -0.246 0.000 1.226 570 I CB 1.472 39.368 38.000 -0.174 0.000 1.371 570 I HN 0.266 nan 8.210 nan 0.000 0.468 571 C N 6.150 125.322 119.300 -0.212 0.000 2.985 571 C HA 0.535 4.995 4.460 -0.000 0.000 0.332 571 C C 0.943 175.854 174.990 -0.132 0.000 1.164 571 C CA -0.578 58.344 59.018 -0.161 0.000 1.347 571 C CB 0.584 28.225 27.740 -0.165 0.000 1.764 571 C HN 1.011 nan 8.230 nan 0.000 0.489 572 C N 3.226 122.469 119.300 -0.094 0.000 3.183 572 C HA 0.364 4.824 4.460 -0.000 0.000 0.285 572 C C 0.584 175.567 174.990 -0.011 0.000 1.313 572 C CA -0.405 58.582 59.018 -0.052 0.000 1.711 572 C CB -1.969 25.740 27.740 -0.052 0.000 2.135 572 C HN 0.848 nan 8.230 nan 0.000 0.651 573 L N 3.424 124.628 121.223 -0.031 0.000 2.597 573 L HA 0.289 4.629 4.340 -0.000 0.000 0.271 573 L C -0.202 176.716 176.870 0.080 0.000 1.157 573 L CA 0.344 55.194 54.840 0.017 0.000 0.928 573 L CB 0.533 42.547 42.059 -0.075 0.000 1.216 573 L HN 0.264 nan 8.230 nan 0.000 0.481 574 V N 7.133 127.140 119.914 0.156 0.000 2.530 574 V HA 0.367 4.487 4.120 -0.000 0.000 0.282 574 V C -1.692 174.480 176.094 0.130 0.000 1.048 574 V CA -1.188 61.182 62.300 0.117 0.000 0.997 574 V CB 0.520 32.401 31.823 0.097 0.000 0.987 574 V HN 0.721 nan 8.190 nan 0.000 0.477 575 P HA 0.508 nan 4.420 nan 0.000 0.301 575 P C -0.783 176.541 177.300 0.040 0.000 1.309 575 P CA -0.211 62.931 63.100 0.069 0.000 0.782 575 P CB 0.773 32.506 31.700 0.055 0.000 1.282 579 Q N 0.589 120.272 119.800 -0.194 0.000 2.246 579 Q HA 0.339 4.679 4.340 -0.000 0.000 0.202 579 Q C 0.253 176.123 176.000 -0.218 0.000 0.883 579 Q CA 0.677 56.315 55.803 -0.276 0.000 0.952 579 Q CB 0.595 28.999 28.738 -0.557 0.000 1.078 579 Q HN 0.307 nan 8.270 nan 0.000 0.493 580 S N -1.430 114.208 115.700 -0.102 0.000 2.701 580 S HA 0.309 4.779 4.470 -0.000 0.000 0.228 580 S C 0.463 175.082 174.600 0.031 0.000 0.948 580 S CA -0.763 57.450 58.200 0.022 0.000 1.129 580 S CB 0.201 63.438 63.200 0.061 0.000 1.352 580 S HN 0.213 nan 8.310 nan 0.000 0.446 581 R N 0.997 121.511 120.500 0.024 0.000 2.173 581 R HA 0.218 4.558 4.340 -0.000 0.000 0.208 581 R C 0.391 176.719 176.300 0.048 0.000 1.035 581 R CA 0.553 56.671 56.100 0.030 0.000 1.004 581 R CB -0.275 30.037 30.300 0.020 0.000 0.917 581 R HN 0.312 nan 8.270 nan 0.000 0.462 582 N N 0.565 119.301 118.700 0.061 0.000 2.270 582 N HA 0.172 4.912 4.740 -0.000 0.000 0.198 582 N C -0.341 175.223 175.510 0.090 0.000 1.117 582 N CA 0.355 53.450 53.050 0.076 0.000 0.845 582 N CB 0.671 39.207 38.487 0.081 0.000 0.980 582 N HN 0.133 nan 8.380 nan 0.000 0.486 583 I N 0.816 121.438 120.570 0.087 0.000 2.359 583 I HA 0.249 4.419 4.170 -0.000 0.000 0.284 583 I C 0.229 176.383 176.117 0.061 0.000 1.018 583 I CA -0.615 60.734 61.300 0.082 0.000 1.173 583 I CB 1.240 39.304 38.000 0.107 0.000 1.326 583 I HN -0.215 nan 8.210 nan 0.000 0.462 584 R N 5.030 125.562 120.500 0.053 0.000 2.428 584 R HA 0.643 4.983 4.340 -0.000 0.000 0.294 584 R C -1.251 175.058 176.300 0.014 0.000 1.000 584 R CA -0.443 55.679 56.100 0.037 0.000 0.960 584 R CB 2.107 32.431 30.300 0.039 0.000 1.076 584 R HN 0.407 nan 8.270 nan 0.000 0.475 585 V N 4.783 124.699 119.914 0.002 0.000 2.385 585 V HA 0.287 4.407 4.120 -0.000 0.000 0.277 585 V C -0.926 175.150 176.094 -0.031 0.000 1.012 585 V CA -0.305 61.980 62.300 -0.025 0.000 0.832 585 V CB 1.739 33.542 31.823 -0.032 0.000 1.028 585 V HN 0.859 nan 8.190 nan 0.000 0.436 586 T N 6.478 121.012 114.554 -0.033 0.000 2.889 586 T HA 0.518 4.868 4.350 -0.000 0.000 0.291 586 T C -0.156 174.513 174.700 -0.051 0.000 0.995 586 T CA -0.372 61.712 62.100 -0.026 0.000 1.092 586 T CB 1.067 69.926 68.868 -0.015 0.000 0.954 586 T HN 0.731 nan 8.240 nan 0.000 0.506 587 R N 2.439 122.914 120.500 -0.041 0.000 2.507 587 R HA 0.374 4.714 4.340 -0.000 0.000 0.298 587 R C -1.329 175.004 176.300 0.054 0.000 1.087 587 R CA -0.770 55.280 56.100 -0.083 0.000 0.917 587 R CB 0.412 30.536 30.300 -0.292 0.000 1.173 587 R HN 0.354 nan 8.270 nan 0.000 0.472 588 L N 3.869 125.139 121.223 0.078 0.000 2.426 588 L HA 0.183 4.523 4.340 -0.000 0.000 0.271 588 L C -0.196 176.826 176.870 0.253 0.000 1.169 588 L CA 0.239 55.163 54.840 0.139 0.000 0.836 588 L CB 1.605 43.725 42.059 0.101 0.000 1.112 588 L HN 0.368 nan 8.230 nan 0.000 0.465 589 V N 3.905 123.958 119.914 0.231 0.000 2.257 589 V HA 0.443 4.563 4.120 -0.000 0.000 0.269 589 V C -0.313 175.937 176.094 0.259 0.000 1.040 589 V CA -0.347 62.099 62.300 0.242 0.000 0.813 589 V CB 0.645 32.525 31.823 0.095 0.000 1.065 589 V HN 0.718 nan 8.190 nan 0.000 0.457 593 L N 3.366 124.625 121.223 0.059 0.000 2.342 593 L HA 0.315 4.655 4.340 -0.000 0.000 0.285 593 L C 0.170 177.071 176.870 0.051 0.000 1.095 593 L CA -0.026 54.778 54.840 -0.059 0.000 0.843 593 L CB 0.242 42.058 42.059 -0.405 0.000 1.201 593 L HN 0.402 nan 8.230 nan 0.000 0.445 594 E N 4.614 124.869 120.200 0.091 0.000 2.059 594 E HA -0.105 4.245 4.350 -0.000 0.000 0.262 594 E C 0.482 177.155 176.600 0.123 0.000 1.230 594 E CA 0.373 56.846 56.400 0.121 0.000 0.951 594 E CB 0.111 29.865 29.700 0.090 0.000 1.038 594 E HN 0.592 nan 8.360 nan 0.000 0.425 595 H N 1.540 120.662 119.070 0.087 0.000 2.582 595 H HA 0.077 4.633 4.556 -0.000 0.000 0.269 595 H C -0.149 175.213 175.328 0.057 0.000 0.962 595 H CA 0.071 56.182 56.048 0.105 0.000 1.230 595 H CB 0.857 30.761 29.762 0.235 0.000 1.445 595 H HN 0.187 nan 8.280 nan 0.000 0.528 596 S N 1.668 117.412 115.700 0.074 0.000 2.573 596 S HA 0.027 4.497 4.470 -0.000 0.000 0.297 596 S C 0.288 174.826 174.600 -0.104 0.000 1.280 596 S CA 0.233 58.432 58.200 -0.002 0.000 1.061 596 S CB 0.564 63.786 63.200 0.038 0.000 0.812 596 S HN 0.349 nan 8.310 nan 0.000 0.500 597 R N 2.125 122.536 120.500 -0.148 0.000 2.371 597 R HA 0.443 4.783 4.340 -0.000 0.000 0.312 597 R C -1.019 175.139 176.300 -0.237 0.000 0.980 597 R CA -0.449 55.551 56.100 -0.167 0.000 0.867 597 R CB 0.739 30.931 30.300 -0.179 0.000 1.163 597 R HN 0.441 nan 8.270 nan 0.000 0.492 598 I N 2.626 123.109 120.570 -0.143 0.000 2.509 598 I HA 0.428 4.598 4.170 -0.000 0.000 0.293 598 I C -0.641 175.519 176.117 0.070 0.000 1.020 598 I CA -0.971 60.249 61.300 -0.132 0.000 1.088 598 I CB 1.708 39.672 38.000 -0.061 0.000 1.267 598 I HN 0.453 nan 8.210 nan 0.000 0.430 599 W N 4.710 126.000 121.300 -0.015 0.000 2.471 599 W HA 0.434 5.094 4.660 -0.000 0.000 0.318 599 W C -0.425 176.025 176.519 -0.114 0.000 1.034 599 W CA -1.196 56.084 57.345 -0.109 0.000 1.224 599 W CB 1.496 30.985 29.460 0.048 0.000 1.335 599 W HN 0.384 nan 8.180 nan 0.000 0.452 600 C N 5.209 124.430 119.300 -0.132 0.000 2.322 600 C HA 0.684 5.144 4.460 -0.000 0.000 0.324 600 C C -0.727 174.072 174.990 -0.318 0.000 1.249 600 C CA -0.536 58.406 59.018 -0.126 0.000 1.453 600 C CB -1.219 26.463 27.740 -0.096 0.000 2.145 600 C HN 0.401 nan 8.230 nan 0.000 0.466 601 F N 5.294 125.350 119.950 0.177 0.000 2.404 601 F HA 0.314 4.841 4.527 -0.000 0.000 0.354 601 F C 1.280 177.171 175.800 0.150 0.000 1.122 601 F CA -0.328 57.762 58.000 0.149 0.000 1.080 601 F CB 0.801 39.922 39.000 0.203 0.000 1.131 601 F HN 0.782 nan 8.300 nan 0.000 0.471 602 H N 2.671 121.877 119.070 0.228 0.000 2.389 602 H HA -0.142 4.414 4.556 -0.000 0.000 0.299 602 H C 1.208 176.649 175.328 0.187 0.000 1.081 602 H CA 1.809 57.985 56.048 0.214 0.000 1.345 602 H CB -0.053 29.887 29.762 0.296 0.000 1.393 602 H HN 0.626 nan 8.280 nan 0.000 0.520 603 N N 0.045 118.787 118.700 0.070 0.000 2.705 603 N HA -0.174 4.566 4.740 -0.000 0.000 0.255 603 N C 0.547 175.951 175.510 -0.177 0.000 1.008 603 N CA 1.334 54.373 53.050 -0.018 0.000 0.742 603 N CB -1.632 36.869 38.487 0.024 0.000 0.906 603 N HN 0.864 nan 8.380 nan 0.000 0.541 604 G N -0.802 107.869 108.800 -0.215 0.000 2.379 604 G HA2 0.045 4.005 3.960 -0.000 0.000 0.297 604 G HA3 0.045 4.005 3.960 -0.000 0.000 0.297 604 G C 1.555 176.274 174.900 -0.302 0.000 1.004 604 G CA 1.215 46.212 45.100 -0.172 0.000 0.921 604 G HN 1.889 nan 8.290 nan 0.000 0.511 605 G N -1.384 106.936 108.800 -0.799 0.000 2.241 605 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.244 605 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.244 605 G C 0.501 175.311 174.900 -0.150 0.000 0.998 605 G CA 0.670 45.574 45.100 -0.327 0.000 0.621 605 G HN 0.948 nan 8.290 nan 0.000 0.519 606 K N 2.500 122.816 120.400 -0.140 0.000 2.206 606 K HA 0.285 4.605 4.320 -0.000 0.000 0.268 606 K C 0.304 176.878 176.600 -0.042 0.000 1.111 606 K CA -0.084 56.167 56.287 -0.059 0.000 0.955 606 K CB 0.541 33.018 32.500 -0.038 0.000 1.406 606 K HN 0.645 nan 8.250 nan 0.000 0.427 607 E N 2.077 122.271 120.200 -0.010 0.000 2.354 607 E HA 0.124 4.474 4.350 -0.000 0.000 0.269 607 E C -0.417 176.212 176.600 0.048 0.000 1.036 607 E CA -0.057 56.369 56.400 0.043 0.000 0.876 607 E CB 1.188 30.940 29.700 0.086 0.000 1.009 607 E HN 0.315 nan 8.360 nan 0.000 0.416 608 E N 1.393 121.660 120.200 0.112 0.000 2.199 608 E HA 0.382 4.732 4.350 -0.000 0.000 0.265 608 E C -1.181 175.471 176.600 0.086 0.000 0.882 608 E CA -0.618 55.831 56.400 0.081 0.000 0.759 608 E CB 2.227 32.046 29.700 0.197 0.000 1.148 608 E HN 0.142 nan 8.360 nan 0.000 0.412 609 V N 3.663 123.489 119.914 -0.148 0.000 2.680 609 V HA 0.503 4.623 4.120 -0.000 0.000 0.309 609 V C -0.991 174.875 176.094 -0.380 0.000 1.052 609 V CA -0.750 61.484 62.300 -0.110 0.000 0.908 609 V CB 1.182 32.958 31.823 -0.079 0.000 1.001 609 V HN 0.540 nan 8.190 nan 0.000 0.431 610 F N 3.719 123.703 119.950 0.057 0.000 2.518 610 F HA 0.572 5.099 4.527 -0.000 0.000 0.323 610 F C -0.061 175.580 175.800 -0.265 0.000 1.129 610 F CA -0.756 57.208 58.000 -0.060 0.000 0.920 610 F CB 1.683 40.717 39.000 0.056 0.000 1.160 610 F HN 0.171 nan 8.300 nan 0.000 0.440 611 I N 2.301 122.806 120.570 -0.108 0.000 2.441 611 I HA 0.256 4.426 4.170 -0.000 0.000 0.287 611 I C 0.185 176.092 176.117 -0.351 0.000 1.049 611 I CA 0.189 61.369 61.300 -0.201 0.000 1.381 611 I CB 1.124 39.045 38.000 -0.131 0.000 1.409 611 I HN 0.476 nan 8.210 nan 0.000 0.523 612 S N 2.893 118.312 115.700 -0.469 0.000 2.541 612 S HA 0.316 4.786 4.470 -0.000 0.000 0.280 612 S C 0.754 175.170 174.600 -0.307 0.000 1.112 612 S CA -0.493 57.380 58.200 -0.546 0.000 0.925 612 S CB 1.502 64.027 63.200 -1.124 0.000 1.067 612 S HN 0.697 nan 8.310 nan 0.000 0.479 613 S N 2.470 118.036 115.700 -0.224 0.000 2.522 613 S HA 0.518 4.988 4.470 -0.000 0.000 0.227 613 S C 0.660 175.216 174.600 -0.075 0.000 0.986 613 S CA 0.342 58.436 58.200 -0.176 0.000 0.929 613 S CB -0.119 62.966 63.200 -0.190 0.000 0.769 613 S HN 1.049 nan 8.310 nan 0.000 0.529 614 A N 1.071 123.894 122.820 0.005 0.000 2.529 614 A HA 0.698 5.018 4.320 -0.000 0.000 0.296 614 A C -1.963 175.728 177.584 0.179 0.000 1.205 614 A CA -0.568 51.540 52.037 0.118 0.000 0.671 614 A CB 0.634 19.751 19.000 0.194 0.000 1.301 614 A HN 0.410 nan 8.150 nan 0.000 0.450 615 D N -1.114 119.393 120.400 0.178 0.000 2.547 615 D HA 0.604 5.244 4.640 -0.000 0.000 0.231 615 D C -0.363 176.070 176.300 0.221 0.000 1.099 615 D CA -0.623 53.491 54.000 0.189 0.000 0.901 615 D CB 0.290 41.083 40.800 -0.012 0.000 1.478 615 D HN 0.547 nan 8.370 nan 0.000 0.471 622 Y N -1.634 118.672 120.300 0.010 0.000 2.432 622 Y HA 0.368 4.918 4.550 -0.000 0.000 0.252 622 Y C 2.026 177.925 175.900 -0.001 0.000 1.097 622 Y CA -0.256 57.840 58.100 -0.006 0.000 1.250 622 Y CB 0.012 38.459 38.460 -0.020 0.000 1.245 622 Y HN 0.110 nan 8.280 nan 0.000 0.522 623 N N 1.153 119.924 118.700 0.119 0.000 2.220 623 N HA 0.049 4.789 4.740 -0.000 0.000 0.193 623 N C 0.791 176.332 175.510 0.052 0.000 1.052 623 N CA 0.813 53.909 53.050 0.076 0.000 0.898 623 N CB 0.090 38.609 38.487 0.054 0.000 1.080 623 N HN 0.061 nan 8.380 nan 0.000 0.467 624 R N -0.359 120.163 120.500 0.036 0.000 2.745 624 R HA 0.389 4.729 4.340 -0.000 0.000 0.251 624 R C -0.019 176.315 176.300 0.058 0.000 1.257 624 R CA -0.438 55.690 56.100 0.046 0.000 1.102 624 R CB 0.261 30.582 30.300 0.035 0.000 1.151 624 R HN 0.255 nan 8.270 nan 0.000 0.571 625 I N 1.703 122.313 120.570 0.068 0.000 2.339 625 I HA 0.177 4.347 4.170 -0.000 0.000 0.290 625 I C -0.067 176.071 176.117 0.035 0.000 0.994 625 I CA -0.381 60.952 61.300 0.054 0.000 1.191 625 I CB 1.293 39.319 38.000 0.042 0.000 1.343 625 I HN 0.379 nan 8.210 nan 0.000 0.458 626 E N 4.391 124.601 120.200 0.016 0.000 2.249 626 E HA 0.575 4.925 4.350 -0.000 0.000 0.263 626 E C -0.590 175.965 176.600 -0.075 0.000 0.950 626 E CA -0.591 55.811 56.400 0.004 0.000 0.827 626 E CB 2.271 32.005 29.700 0.056 0.000 1.220 626 E HN 0.566 nan 8.360 nan 0.000 0.411 627 T N -2.297 112.192 114.554 -0.108 0.000 2.886 627 T HA 0.787 5.137 4.350 -0.000 0.000 0.292 627 T C -0.636 173.967 174.700 -0.162 0.000 1.012 627 T CA -1.017 60.985 62.100 -0.163 0.000 0.982 627 T CB 1.710 70.451 68.868 -0.211 0.000 1.018 627 T HN 0.464 nan 8.240 nan 0.000 0.451 628 A N 1.295 124.030 122.820 -0.141 0.000 2.343 628 A HA 0.728 5.048 4.320 -0.000 0.000 0.316 628 A C -0.362 177.230 177.584 0.013 0.000 1.104 628 A CA -0.866 51.065 52.037 -0.176 0.000 0.768 628 A CB 1.072 19.934 19.000 -0.229 0.000 1.213 628 A HN 1.127 nan 8.150 nan 0.000 0.456 629 C N 5.176 124.500 119.300 0.040 0.000 2.319 629 C HA 0.766 5.226 4.460 -0.000 0.000 0.323 629 C C -2.555 172.484 174.990 0.082 0.000 1.277 629 C CA -2.038 57.022 59.018 0.070 0.000 1.517 629 C CB 1.165 28.884 27.740 -0.035 0.000 2.206 629 C HN 0.722 nan 8.230 nan 0.000 0.486 630 P HA 0.100 nan 4.420 nan 0.000 0.271 630 P C -0.664 176.481 177.300 -0.258 0.000 1.218 630 P CA 0.244 63.082 63.100 -0.437 0.000 0.780 630 P CB 0.650 32.164 31.700 -0.309 0.000 0.901 631 V N 5.141 124.877 119.914 -0.297 0.000 2.258 631 V HA 0.051 4.171 4.120 -0.000 0.000 0.258 631 V C 1.914 177.918 176.094 -0.150 0.000 1.121 631 V CA 0.021 62.218 62.300 -0.172 0.000 0.942 631 V CB -0.369 31.372 31.823 -0.137 0.000 1.170 631 V HN 0.486 nan 8.190 nan 0.000 0.487 632 L N 0.860 122.012 121.223 -0.120 0.000 2.017 632 L HA -0.046 4.294 4.340 -0.000 0.000 0.208 632 L C 1.467 178.289 176.870 -0.081 0.000 1.073 632 L CA 1.134 55.918 54.840 -0.092 0.000 0.745 632 L CB -0.222 41.798 42.059 -0.064 0.000 0.894 632 L HN 0.578 nan 8.230 nan 0.000 0.432 633 D N 0.619 120.968 120.400 -0.085 0.000 2.412 633 D HA 0.008 4.648 4.640 -0.000 0.000 0.257 633 D C -1.614 174.640 176.300 -0.077 0.000 1.217 633 D CA -1.406 52.542 54.000 -0.087 0.000 0.897 633 D CB 1.618 42.349 40.800 -0.114 0.000 1.132 633 D HN -0.095 nan 8.370 nan 0.000 0.493 634 P HA -0.201 nan 4.420 nan 0.000 0.215 634 P C 1.355 178.630 177.300 -0.043 0.000 1.163 634 P CA 2.192 65.264 63.100 -0.047 0.000 0.894 634 P CB -0.041 31.635 31.700 -0.040 0.000 0.791 635 T N -2.890 111.630 114.554 -0.057 0.000 2.833 635 T HA -0.110 4.240 4.350 -0.000 0.000 0.269 635 T C 1.693 176.369 174.700 -0.040 0.000 1.054 635 T CA 1.014 63.084 62.100 -0.051 0.000 1.135 635 T CB -1.129 67.691 68.868 -0.080 0.000 0.869 635 T HN -0.091 nan 8.240 nan 0.000 0.466 636 L N 0.525 121.710 121.223 -0.063 0.000 2.109 636 L HA 0.200 4.540 4.340 -0.000 0.000 0.207 636 L C 2.947 179.805 176.870 -0.020 0.000 1.086 636 L CA 1.318 56.130 54.840 -0.046 0.000 0.760 636 L CB -0.635 41.373 42.059 -0.085 0.000 0.910 636 L HN 0.154 nan 8.230 nan 0.000 0.437 637 R N -0.893 119.586 120.500 -0.035 0.000 2.081 637 R HA -0.175 4.165 4.340 -0.000 0.000 0.235 637 R C 2.394 178.693 176.300 -0.001 0.000 1.131 637 R CA 1.021 57.105 56.100 -0.027 0.000 0.960 637 R CB -0.198 30.079 30.300 -0.039 0.000 0.856 637 R HN 0.105 nan 8.270 nan 0.000 0.436 638 R N 1.552 122.057 120.500 0.007 0.000 2.094 638 R HA -0.160 4.180 4.340 -0.000 0.000 0.239 638 R C 1.689 178.016 176.300 0.045 0.000 1.137 638 R CA 1.921 58.037 56.100 0.027 0.000 0.943 638 R CB -0.563 29.755 30.300 0.030 0.000 0.850 638 R HN 0.278 nan 8.270 nan 0.000 0.433 639 E N -0.253 119.991 120.200 0.073 0.000 2.048 639 E HA -0.235 4.115 4.350 -0.000 0.000 0.202 639 E C 2.106 178.739 176.600 0.055 0.000 1.021 639 E CA 2.015 58.499 56.400 0.141 0.000 0.825 639 E CB -0.310 29.488 29.700 0.163 0.000 0.756 639 E HN 0.369 nan 8.360 nan 0.000 0.454 640 I N 0.773 121.364 120.570 0.036 0.000 2.208 640 I HA -0.308 3.862 4.170 -0.000 0.000 0.245 640 I C 2.418 178.502 176.117 -0.055 0.000 1.097 640 I CA 1.075 62.367 61.300 -0.012 0.000 1.363 640 I CB -0.245 37.759 38.000 0.007 0.000 1.051 640 I HN 0.144 nan 8.210 nan 0.000 0.413 641 I N 0.529 121.082 120.570 -0.030 0.000 2.179 641 I HA -0.318 3.852 4.170 -0.000 0.000 0.242 641 I C 2.093 178.165 176.117 -0.076 0.000 1.088 641 I CA 1.397 62.680 61.300 -0.027 0.000 1.357 641 I CB -0.511 37.498 38.000 0.014 0.000 1.051 641 I HN 0.223 nan 8.210 nan 0.000 0.409 642 D N 0.890 121.226 120.400 -0.106 0.000 2.116 642 D HA -0.189 4.451 4.640 -0.000 0.000 0.193 642 D C 2.221 178.286 176.300 -0.392 0.000 0.998 642 D CA 1.355 55.210 54.000 -0.242 0.000 0.836 642 D CB -0.197 40.440 40.800 -0.272 0.000 0.951 642 D HN 0.211 nan 8.370 nan 0.000 0.449 643 I N 0.533 120.871 120.570 -0.386 0.000 2.142 643 I HA -0.215 3.955 4.170 -0.000 0.000 0.240 643 I C 2.638 178.623 176.117 -0.220 0.000 1.078 643 I CA 0.805 61.883 61.300 -0.370 0.000 1.343 643 I CB -1.097 36.716 38.000 -0.312 0.000 1.046 643 I HN 0.077 nan 8.210 nan 0.000 0.405 644 L N 0.374 121.509 121.223 -0.148 0.000 2.081 644 L HA -0.234 4.106 4.340 -0.000 0.000 0.212 644 L C 2.529 179.353 176.870 -0.076 0.000 1.080 644 L CA 1.484 56.270 54.840 -0.089 0.000 0.754 644 L CB -0.463 41.560 42.059 -0.060 0.000 0.893 644 L HN 0.316 nan 8.230 nan 0.000 0.433 645 E N -0.169 119.978 120.200 -0.090 0.000 2.152 645 E HA -0.143 4.207 4.350 -0.000 0.000 0.192 645 E C 2.307 178.855 176.600 -0.086 0.000 0.983 645 E CA 0.705 57.064 56.400 -0.068 0.000 0.818 645 E CB 0.048 29.712 29.700 -0.060 0.000 0.758 645 E HN 0.493 nan 8.360 nan 0.000 0.467 646 I N 1.307 121.797 120.570 -0.133 0.000 2.264 646 I HA -0.307 3.863 4.170 -0.000 0.000 0.248 646 I C 2.062 178.138 176.117 -0.069 0.000 1.111 646 I CA 1.314 62.544 61.300 -0.117 0.000 1.382 646 I CB -0.234 37.662 38.000 -0.173 0.000 1.060 646 I HN 0.137 nan 8.210 nan 0.000 0.418 647 Q N 0.155 119.917 119.800 -0.064 0.000 2.488 647 Q HA -0.019 4.321 4.340 -0.000 0.000 0.211 647 Q C 1.807 177.793 176.000 -0.023 0.000 0.967 647 Q CA 0.743 56.529 55.803 -0.029 0.000 0.926 647 Q CB 0.243 28.966 28.738 -0.024 0.000 0.992 647 Q HN 0.560 nan 8.270 nan 0.000 0.506 648 L N 0.278 121.481 121.223 -0.033 0.000 2.664 648 L HA 0.161 4.501 4.340 -0.000 0.000 0.233 648 L C 0.830 177.676 176.870 -0.041 0.000 1.113 648 L CA -0.281 54.542 54.840 -0.028 0.000 0.896 648 L CB 0.277 42.326 42.059 -0.017 0.000 1.163 648 L HN 0.120 nan 8.230 nan 0.000 0.497 649 R N -0.572 119.900 120.500 -0.046 0.000 2.726 649 R HA 0.089 4.429 4.340 -0.000 0.000 0.272 649 R C -0.027 176.242 176.300 -0.051 0.000 1.097 649 R CA -0.341 55.726 56.100 -0.056 0.000 1.198 649 R CB 0.534 30.800 30.300 -0.056 0.000 1.114 649 R HN -0.115 nan 8.270 nan 0.000 0.550 650 D N 0.362 120.724 120.400 -0.063 0.000 2.213 650 D HA -0.113 4.527 4.640 -0.000 0.000 0.205 650 D C 0.890 177.164 176.300 -0.044 0.000 0.961 650 D CA 1.516 55.480 54.000 -0.060 0.000 0.853 650 D CB -0.316 40.437 40.800 -0.078 0.000 0.967 650 D HN 0.746 nan 8.370 nan 0.000 0.496 651 N N 0.361 119.033 118.700 -0.047 0.000 2.485 651 N HA 0.009 4.749 4.740 -0.000 0.000 0.199 651 N C 0.108 175.605 175.510 -0.022 0.000 1.236 651 N CA 0.277 53.305 53.050 -0.037 0.000 0.852 651 N CB 0.163 38.624 38.487 -0.043 0.000 1.018 651 N HN 0.126 nan 8.380 nan 0.000 0.457 652 I N 0.329 120.889 120.570 -0.017 0.000 2.530 652 I HA 0.202 4.372 4.170 -0.000 0.000 0.297 652 I C -0.157 175.963 176.117 0.005 0.000 1.011 652 I CA -1.109 60.189 61.300 -0.003 0.000 1.107 652 I CB 2.004 40.004 38.000 -0.000 0.000 1.285 652 I HN 0.030 nan 8.210 nan 0.000 0.436 653 K N 5.054 125.462 120.400 0.012 0.000 2.315 653 K HA 0.527 4.847 4.320 -0.000 0.000 0.291 653 K C -0.131 176.499 176.600 0.050 0.000 1.074 653 K CA 0.006 56.301 56.287 0.012 0.000 0.936 653 K CB 0.797 33.288 32.500 -0.016 0.000 1.049 653 K HN 0.749 nan 8.250 nan 0.000 0.471 654 A N 1.983 124.840 122.820 0.061 0.000 5.168 654 A HA 0.732 5.052 4.320 -0.000 0.000 0.202 654 A C -1.209 176.443 177.584 0.113 0.000 0.857 654 A CA -0.258 51.845 52.037 0.110 0.000 0.757 654 A CB 0.472 19.519 19.000 0.077 0.000 1.957 654 A HN 0.847 nan 8.150 nan 0.000 0.959 665 Y N 3.181 123.480 120.300 -0.003 0.000 2.289 665 Y HA 0.483 5.033 4.550 -0.000 0.000 0.332 665 Y C 0.380 176.277 175.900 -0.005 0.000 1.324 665 Y CA -0.047 58.053 58.100 0.000 0.000 1.478 665 Y CB 0.338 38.809 38.460 0.017 0.000 1.378 665 Y HN -0.082 nan 8.280 nan 0.000 0.558 666 K N 1.017 121.523 120.400 0.176 0.000 2.523 666 K HA 0.468 4.788 4.320 -0.000 0.000 0.257 666 K C -2.027 174.582 176.600 0.015 0.000 0.932 666 K CA -0.503 55.814 56.287 0.049 0.000 0.812 666 K CB 2.016 34.490 32.500 -0.043 0.000 1.326 666 K HN 0.940 nan 8.250 nan 0.000 0.433 667 H N 0.721 119.818 119.070 0.045 0.000 2.894 667 H HA 0.253 4.809 4.556 -0.000 0.000 0.282 667 H C -0.993 174.346 175.328 0.018 0.000 1.448 667 H CA -0.606 55.458 56.048 0.025 0.000 1.158 667 H CB 1.602 31.373 29.762 0.016 0.000 1.818 667 H HN 0.718 nan 8.280 nan 0.000 0.493 668 N N -0.462 118.384 118.700 0.242 0.000 2.478 668 N HA 0.088 4.828 4.740 -0.000 0.000 0.275 668 N C -0.047 175.510 175.510 0.078 0.000 1.221 668 N CA -0.271 52.851 53.050 0.120 0.000 0.979 668 N CB 1.450 40.000 38.487 0.105 0.000 1.202 668 N HN 0.243 nan 8.380 nan 0.000 0.564 669 S N 0.530 116.258 115.700 0.046 0.000 2.704 669 S HA 0.079 4.549 4.470 -0.000 0.000 0.241 669 S C -0.724 173.886 174.600 0.016 0.000 1.264 669 S CA -0.578 57.637 58.200 0.025 0.000 1.236 669 S CB -1.014 62.197 63.200 0.018 0.000 0.928 669 S HN 0.528 nan 8.310 nan 0.000 0.492 670 D N -0.460 119.950 120.400 0.017 0.000 2.804 670 D HA 0.361 5.001 4.640 -0.000 0.000 0.308 670 D C -0.285 176.012 176.300 -0.005 0.000 1.371 670 D CA -0.333 53.673 54.000 0.009 0.000 0.823 670 D CB 0.165 40.976 40.800 0.019 0.000 1.126 670 D HN 0.145 nan 8.370 nan 0.000 0.467 671 E N 0.883 121.074 120.200 -0.015 0.000 2.248 671 E HA 0.302 4.652 4.350 -0.000 0.000 0.267 671 E C -0.639 175.948 176.600 -0.021 0.000 0.877 671 E CA -0.871 55.513 56.400 -0.026 0.000 0.759 671 E CB 1.401 31.072 29.700 -0.049 0.000 1.182 671 E HN -0.043 nan 8.360 nan 0.000 0.418 672 K N 4.063 124.452 120.400 -0.018 0.000 2.349 672 K HA 0.289 4.609 4.320 -0.000 0.000 0.289 672 K C -2.208 174.382 176.600 -0.017 0.000 1.064 672 K CA -1.720 54.558 56.287 -0.016 0.000 0.947 672 K CB -0.048 32.446 32.500 -0.011 0.000 1.007 672 K HN 0.309 nan 8.250 nan 0.000 0.478 673 P HA 0.019 nan 4.420 nan 0.000 0.268 673 P C 0.108 177.401 177.300 -0.013 0.000 1.205 673 P CA -0.348 62.740 63.100 -0.020 0.000 0.771 673 P CB 0.845 32.529 31.700 -0.026 0.000 0.858 674 V N 1.190 121.102 119.914 -0.003 0.000 3.204 674 V HA 0.650 4.769 4.120 -0.000 0.000 0.316 674 V C 0.070 176.178 176.094 0.023 0.000 1.160 674 V CA -1.317 60.990 62.300 0.012 0.000 1.044 674 V CB 1.499 33.336 31.823 0.023 0.000 1.136 674 V HN 0.351 nan 8.190 nan 0.000 0.455 675 R N 0.305 120.831 120.500 0.044 0.000 2.407 675 R HA 0.689 5.029 4.340 -0.000 0.000 0.303 675 R C 1.193 177.537 176.300 0.073 0.000 0.981 675 R CA -0.031 56.107 56.100 0.063 0.000 0.905 675 R CB 1.697 32.048 30.300 0.085 0.000 1.099 675 R HN 0.971 nan 8.270 nan 0.000 0.459 676 A N 2.783 125.648 122.820 0.075 0.000 1.927 676 A HA -0.285 4.035 4.320 -0.000 0.000 0.220 676 A C 1.829 179.488 177.584 0.124 0.000 1.185 676 A CA 1.649 53.732 52.037 0.076 0.000 0.639 676 A CB -0.337 18.706 19.000 0.071 0.000 0.820 676 A HN 0.838 nan 8.150 nan 0.000 0.451 677 Q N -1.037 118.866 119.800 0.171 0.000 2.167 677 Q HA 0.014 4.354 4.340 -0.000 0.000 0.202 677 Q C 2.371 178.584 176.000 0.355 0.000 0.970 677 Q CA 1.238 57.232 55.803 0.318 0.000 0.855 677 Q CB -0.333 28.548 28.738 0.238 0.000 0.911 677 Q HN 0.708 nan 8.270 nan 0.000 0.438 678 A N 0.832 123.776 122.820 0.207 0.000 1.929 678 A HA -0.019 4.301 4.320 -0.000 0.000 0.216 678 A C 2.243 179.964 177.584 0.228 0.000 1.176 678 A CA 1.317 53.484 52.037 0.216 0.000 0.628 678 A CB -0.636 18.435 19.000 0.119 0.000 0.816 678 A HN 0.373 nan 8.150 nan 0.000 0.444 679 A N 0.153 123.064 122.820 0.152 0.000 1.873 679 A HA -0.072 4.248 4.320 -0.000 0.000 0.215 679 A C 2.090 179.742 177.584 0.114 0.000 1.186 679 A CA 1.485 53.586 52.037 0.108 0.000 0.616 679 A CB -0.623 18.409 19.000 0.053 0.000 0.823 679 A HN 0.468 nan 8.150 nan 0.000 0.442 680 I N -1.944 118.681 120.570 0.091 0.000 2.208 680 I HA -0.287 3.883 4.170 -0.000 0.000 0.245 680 I C 2.461 178.578 176.117 -0.000 0.000 1.097 680 I CA 1.805 63.090 61.300 -0.025 0.000 1.363 680 I CB -0.362 37.541 38.000 -0.161 0.000 1.051 680 I HN 0.549 nan 8.210 nan 0.000 0.413 681 Y N 1.740 122.084 120.300 0.074 0.000 2.145 681 Y HA -0.236 4.314 4.550 -0.000 0.000 0.286 681 Y C 2.701 178.655 175.900 0.090 0.000 1.145 681 Y CA 1.546 59.741 58.100 0.158 0.000 1.148 681 Y CB -0.281 38.374 38.460 0.325 0.000 0.981 681 Y HN -0.062 nan 8.280 nan 0.000 0.507 682 R N -1.283 119.284 120.500 0.112 0.000 2.117 682 R HA -0.256 4.084 4.340 -0.000 0.000 0.243 682 R C 2.168 178.443 176.300 -0.042 0.000 1.143 682 R CA 1.967 58.072 56.100 0.008 0.000 0.968 682 R CB -0.835 29.520 30.300 0.092 0.000 0.863 682 R HN 0.539 nan 8.270 nan 0.000 0.444 683 Y N 1.144 121.381 120.300 -0.104 0.000 2.114 683 Y HA -0.175 4.375 4.550 -0.000 0.000 0.284 683 Y C 1.836 177.661 175.900 -0.124 0.000 1.143 683 Y CA 1.556 59.595 58.100 -0.101 0.000 1.135 683 Y CB -0.228 38.176 38.460 -0.093 0.000 0.980 683 Y HN -0.058 nan 8.280 nan 0.000 0.499 684 L N 0.397 121.512 121.223 -0.181 0.000 2.093 684 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 684 L C 2.591 179.271 176.870 -0.316 0.000 1.085 684 L CA 1.686 56.387 54.840 -0.232 0.000 0.755 684 L CB -0.577 41.453 42.059 -0.049 0.000 0.904 684 L HN 0.188 nan 8.230 nan 0.000 0.435 685 K N 0.538 120.680 120.400 -0.430 0.000 2.026 685 K HA -0.155 4.165 4.320 -0.000 0.000 0.208 685 K C 2.093 178.547 176.600 -0.244 0.000 1.048 685 K CA 1.540 57.592 56.287 -0.392 0.000 0.929 685 K CB -0.389 31.811 32.500 -0.499 0.000 0.713 685 K HN 0.269 nan 8.250 nan 0.000 0.439 686 G N 1.944 110.605 108.800 -0.233 0.000 2.491 686 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.218 686 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.218 686 G C 1.434 176.220 174.900 -0.191 0.000 1.180 686 G CA 1.307 46.299 45.100 -0.180 0.000 0.774 686 G HN 0.444 nan 8.290 nan 0.000 0.562 687 K N 0.342 120.565 120.400 -0.293 0.000 2.113 687 K HA -0.174 4.146 4.320 -0.000 0.000 0.208 687 K C 2.203 178.738 176.600 -0.109 0.000 1.047 687 K CA 1.698 57.837 56.287 -0.247 0.000 0.928 687 K CB -0.180 32.099 32.500 -0.368 0.000 0.716 687 K HN 0.238 nan 8.250 nan 0.000 0.446 688 E N 1.124 121.273 120.200 -0.086 0.000 2.046 688 E HA -0.158 4.192 4.350 -0.000 0.000 0.190 688 E C 1.581 178.178 176.600 -0.006 0.000 0.982 688 E CA 1.422 57.817 56.400 -0.008 0.000 0.800 688 E CB -0.119 29.577 29.700 -0.007 0.000 0.756 688 E HN 0.656 nan 8.360 nan 0.000 0.449 689 E N 1.191 121.368 120.200 -0.038 0.000 2.438 689 E HA 0.031 4.381 4.350 -0.000 0.000 0.192 689 E C 0.191 176.780 176.600 -0.019 0.000 1.110 689 E CA 0.150 56.536 56.400 -0.023 0.000 0.893 689 E CB -0.277 29.404 29.700 -0.032 0.000 0.990 689 E HN -0.077 nan 8.360 nan 0.000 0.490 690 T N 0.000 114.542 114.554 -0.021 0.000 3.816 690 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 690 T CA 0.000 62.091 62.100 -0.014 0.000 1.349 690 T CB 0.000 68.851 68.868 -0.029 0.000 0.612 690 T HN 0.000 nan 8.240 nan 0.000 0.658