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 2jjd_1_F DATA FIRST_RESID 111 DATA SEQUENCE KYFPIPVEHL EEEIRIRSAX XCKQFREEFN SLPSGHIQGT FELANKEENR DATA SEQUENCE EKNRYPNILP NDHSRVILSQ LXGIPCSDYI NASYIDGYKE KNKFIAAQGP DATA SEQUENCE KQETVNDFWR MVWEQKSATI VMLTNLKERK EEKCHQYWPD QGcWTYGNIR DATA SEQUENCE VcVEDCVVLV DYTIRKFCIQ PXXXXXXKAP RLVSQLHFTS WPDFGVPFTP DATA SEQUENCE IGMLKFLKKV KTLNPVHAGP IVVHCSAGVG RTGTFIVIDA MMAMMHAEQK DATA SEQUENCE VDVFEFVSRI RNQRPQMVQT DMQYTFIYQA LLEYYLYGDT ELDVSSXXXX DATA SEQUENCE XXXXXXXXXX XXXXGLEEEF RKLTNVRIMK ENMRTGNLPA NMKKARVIQI DATA SEQUENCE IPYDFNRVIL SMXXXXXXTD YINASFIDGY RQKDYFIATQ GPLAHTVEDF DATA SEQUENCE WRMIWEWKSH TIVMLTEVQE REQDKCYQYW PTEGSVTHGE ITIEIKNDTL DATA SEQUENCE SEAISIRDFL VTLNXXXXXX GEQVRVVRQF HFHGWPEIGI PAEGKGMIDL DATA SEQUENCE IAAVQKQQQQ TGNHPITVHC SAGAGRTGTF IALSNILERV KAEGLLDVFQ DATA SEQUENCE AVKSLRLQRP HMVQTLEQYE FCYKVVQDFI D 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 111 K HA 0.000 nan 4.320 nan 0.000 0.191 111 K C 0.000 175.820 176.600 -1.300 0.000 0.988 111 K CA 0.000 55.790 56.287 -0.829 0.000 0.838 111 K CB 0.000 32.068 32.500 -0.721 0.000 1.064 112 Y N 1.748 121.569 120.300 -0.798 0.000 2.518 112 Y HA 0.657 5.207 4.550 -0.000 0.000 0.344 112 Y C 0.067 175.708 175.900 -0.432 0.000 0.982 112 Y CA -1.005 56.715 58.100 -0.632 0.000 1.234 112 Y CB 0.194 38.259 38.460 -0.659 0.000 1.114 112 Y HN 0.334 nan 8.280 nan 0.000 0.515 113 F N 3.425 123.437 119.950 0.103 0.000 2.411 113 F HA 0.539 5.066 4.527 -0.000 0.000 0.324 113 F C -1.810 174.076 175.800 0.143 0.000 1.086 113 F CA -2.790 55.274 58.000 0.106 0.000 1.028 113 F CB 0.252 39.281 39.000 0.048 0.000 1.284 113 F HN 0.280 nan 8.300 nan 0.000 0.501 114 P HA 0.135 nan 4.420 nan 0.000 0.268 114 P C -0.731 176.686 177.300 0.194 0.000 1.205 114 P CA 0.118 63.356 63.100 0.229 0.000 0.771 114 P CB 0.457 32.262 31.700 0.175 0.000 0.858 115 I N 4.864 125.532 120.570 0.163 0.000 2.304 115 I HA 0.238 4.408 4.170 -0.000 0.000 0.291 115 I C -2.115 174.050 176.117 0.080 0.000 1.018 115 I CA -2.536 58.848 61.300 0.140 0.000 1.260 115 I CB 1.259 39.356 38.000 0.162 0.000 1.390 115 I HN 0.124 nan 8.210 nan 0.000 0.475 116 P HA -0.031 nan 4.420 nan 0.000 0.268 116 P C 1.134 178.379 177.300 -0.092 0.000 1.204 116 P CA -0.256 62.859 63.100 0.025 0.000 0.768 116 P CB 0.771 32.536 31.700 0.109 0.000 0.842 117 V N 0.826 120.597 119.914 -0.239 0.000 2.469 117 V HA -0.277 3.843 4.120 -0.000 0.000 0.251 117 V C 2.314 178.073 176.094 -0.559 0.000 1.064 117 V CA 2.252 64.225 62.300 -0.545 0.000 1.066 117 V CB -2.297 29.040 31.823 -0.810 0.000 0.667 117 V HN 0.482 nan 8.190 nan 0.000 0.461 118 E N 0.421 120.409 120.200 -0.353 0.000 2.147 118 E HA -0.306 4.044 4.350 -0.000 0.000 0.199 118 E C 1.917 178.276 176.600 -0.403 0.000 1.005 118 E CA 2.164 58.349 56.400 -0.358 0.000 0.810 118 E CB -1.069 28.338 29.700 -0.489 0.000 0.736 118 E HN 0.954 nan 8.360 nan 0.000 0.460 119 H N -1.618 117.410 119.070 -0.070 0.000 2.542 119 H HA 0.257 4.813 4.556 -0.000 0.000 0.283 119 H C 1.699 177.007 175.328 -0.034 0.000 1.059 119 H CA 0.205 56.234 56.048 -0.033 0.000 1.162 119 H CB 0.579 30.332 29.762 -0.014 0.000 1.539 119 H HN 0.298 nan 8.280 nan 0.000 0.543 120 L N 2.086 123.301 121.223 -0.014 0.000 2.005 120 L HA -0.129 4.211 4.340 -0.000 0.000 0.207 120 L C 2.550 179.454 176.870 0.057 0.000 1.072 120 L CA 2.544 57.389 54.840 0.009 0.000 0.744 120 L CB -0.988 41.008 42.059 -0.105 0.000 0.895 120 L HN 0.368 nan 8.230 nan 0.000 0.433 121 E N -0.241 119.990 120.200 0.052 0.000 2.097 121 E HA -0.291 4.059 4.350 -0.000 0.000 0.196 121 E C 2.085 178.716 176.600 0.052 0.000 1.000 121 E CA 2.366 58.804 56.400 0.063 0.000 0.804 121 E CB -1.461 28.275 29.700 0.060 0.000 0.740 121 E HN 0.722 nan 8.360 nan 0.000 0.454 122 E N -0.111 120.122 120.200 0.055 0.000 2.047 122 E HA -0.020 4.330 4.350 -0.000 0.000 0.191 122 E C 2.290 178.895 176.600 0.008 0.000 0.987 122 E CA 2.260 58.684 56.400 0.040 0.000 0.799 122 E CB -1.256 28.483 29.700 0.065 0.000 0.752 122 E HN 0.903 nan 8.360 nan 0.000 0.449 123 E N 0.701 120.910 120.200 0.016 0.000 2.204 123 E HA -0.046 4.304 4.350 -0.000 0.000 0.195 123 E C 2.058 178.588 176.600 -0.116 0.000 0.990 123 E CA 1.164 57.540 56.400 -0.041 0.000 0.821 123 E CB -0.508 29.195 29.700 0.005 0.000 0.750 123 E HN 0.555 nan 8.360 nan 0.000 0.477 124 I N 0.756 121.309 120.570 -0.028 0.000 2.202 124 I HA -0.204 3.966 4.170 -0.000 0.000 0.242 124 I C 3.198 179.287 176.117 -0.047 0.000 1.091 124 I CA 1.785 63.087 61.300 0.003 0.000 1.368 124 I CB -1.520 36.554 38.000 0.124 0.000 1.058 124 I HN 0.521 nan 8.210 nan 0.000 0.410 125 R N 1.142 121.629 120.500 -0.023 0.000 2.083 125 R HA -0.163 4.176 4.340 -0.000 0.000 0.237 125 R C 2.441 178.696 176.300 -0.074 0.000 1.137 125 R CA 2.293 58.378 56.100 -0.025 0.000 0.951 125 R CB -2.104 28.193 30.300 -0.005 0.000 0.851 125 R HN 0.424 nan 8.270 nan 0.000 0.434 126 I N 1.214 121.721 120.570 -0.105 0.000 2.208 126 I HA -0.107 4.063 4.170 -0.000 0.000 0.245 126 I C 2.508 178.503 176.117 -0.204 0.000 1.097 126 I CA 2.274 63.496 61.300 -0.129 0.000 1.363 126 I CB -0.856 37.069 38.000 -0.124 0.000 1.051 126 I HN 0.544 nan 8.210 nan 0.000 0.413 127 R N 0.885 121.165 120.500 -0.368 0.000 2.334 127 R HA 0.335 4.675 4.340 -0.000 0.000 0.220 127 R C 2.226 178.286 176.300 -0.399 0.000 0.917 127 R CA 0.819 56.560 56.100 -0.598 0.000 1.073 127 R CB -0.116 29.307 30.300 -1.462 0.000 1.056 127 R HN 0.712 nan 8.270 nan 0.000 0.506 128 S N 1.157 116.760 115.700 -0.162 0.000 2.478 128 S HA 0.273 4.742 4.470 -0.000 0.000 0.222 128 S C 1.181 175.786 174.600 0.008 0.000 1.008 128 S CA 0.383 58.589 58.200 0.010 0.000 0.928 128 S CB 0.266 63.493 63.200 0.044 0.000 0.781 128 S HN 0.312 nan 8.310 nan 0.000 0.518 133 K N 0.243 120.669 120.400 0.043 0.000 2.044 133 K HA -0.210 4.110 4.320 -0.000 0.000 0.210 133 K C 1.890 178.519 176.600 0.049 0.000 1.049 133 K CA 2.565 58.878 56.287 0.043 0.000 0.927 133 K CB -0.512 31.998 32.500 0.017 0.000 0.713 133 K HN 0.882 nan 8.250 nan 0.000 0.443 134 Q N -1.924 117.869 119.800 -0.012 0.000 2.123 134 Q HA 0.023 4.363 4.340 -0.000 0.000 0.199 134 Q C 2.002 178.024 176.000 0.037 0.000 0.966 134 Q CA 1.343 57.123 55.803 -0.038 0.000 0.845 134 Q CB -0.099 28.542 28.738 -0.163 0.000 0.907 134 Q HN 0.593 nan 8.270 nan 0.000 0.439 135 F N 0.322 120.305 119.950 0.054 0.000 2.113 135 F HA -0.069 4.458 4.527 -0.000 0.000 0.297 135 F C 2.417 178.293 175.800 0.127 0.000 1.103 135 F CA 1.293 59.351 58.000 0.097 0.000 1.248 135 F CB -0.529 38.519 39.000 0.081 0.000 0.999 135 F HN 0.056 nan 8.300 nan 0.000 0.475 136 R N 0.535 121.217 120.500 0.304 0.000 2.096 136 R HA -0.221 4.119 4.340 -0.000 0.000 0.240 136 R C 2.408 178.831 176.300 0.206 0.000 1.139 136 R CA 2.150 58.384 56.100 0.224 0.000 0.952 136 R CB -0.461 29.931 30.300 0.154 0.000 0.854 136 R HN 0.375 nan 8.270 nan 0.000 0.436 137 E N 0.936 121.236 120.200 0.165 0.000 2.072 137 E HA -0.240 4.110 4.350 -0.000 0.000 0.191 137 E C 1.659 178.352 176.600 0.155 0.000 0.985 137 E CA 1.439 57.923 56.400 0.140 0.000 0.801 137 E CB -0.635 29.137 29.700 0.119 0.000 0.750 137 E HN 0.716 nan 8.360 nan 0.000 0.452 138 E N -1.196 119.104 120.200 0.167 0.000 2.038 138 E HA -0.156 4.194 4.350 -0.000 0.000 0.195 138 E C 1.978 178.550 176.600 -0.047 0.000 1.000 138 E CA 1.406 57.771 56.400 -0.058 0.000 0.803 138 E CB -0.342 29.304 29.700 -0.090 0.000 0.750 138 E HN 0.538 nan 8.360 nan 0.000 0.448 139 F N 2.057 121.861 119.950 -0.243 0.000 2.161 139 F HA -0.159 4.368 4.527 -0.000 0.000 0.300 139 F C 1.691 177.373 175.800 -0.196 0.000 1.089 139 F CA 1.498 59.214 58.000 -0.473 0.000 1.282 139 F CB -0.207 38.540 39.000 -0.422 0.000 1.010 139 F HN 0.051 nan 8.300 nan 0.000 0.485 140 N N -0.268 118.354 118.700 -0.130 0.000 2.515 140 N HA -0.049 4.691 4.740 -0.000 0.000 0.185 140 N C 1.436 176.883 175.510 -0.104 0.000 1.109 140 N CA 0.972 53.924 53.050 -0.162 0.000 0.903 140 N CB -0.166 38.321 38.487 -0.000 0.000 0.969 140 N HN 0.214 nan 8.380 nan 0.000 0.450 141 S N -0.071 115.622 115.700 -0.011 0.000 2.535 141 S HA 0.233 4.703 4.470 -0.000 0.000 0.214 141 S C 0.796 175.489 174.600 0.155 0.000 0.980 141 S CA -0.308 57.968 58.200 0.126 0.000 0.907 141 S CB 0.580 63.935 63.200 0.259 0.000 0.790 141 S HN 0.197 nan 8.310 nan 0.000 0.510 142 L N 3.112 124.282 121.223 -0.088 0.000 2.461 142 L HA 0.211 4.551 4.340 -0.000 0.000 0.272 142 L C -2.299 174.432 176.870 -0.232 0.000 1.197 142 L CA -1.560 53.081 54.840 -0.331 0.000 0.836 142 L CB -0.174 41.563 42.059 -0.536 0.000 1.105 142 L HN -0.001 nan 8.230 nan 0.000 0.477 143 P HA 0.216 nan 4.420 nan 0.000 0.287 143 P C -0.476 176.725 177.300 -0.165 0.000 1.294 143 P CA -0.359 62.660 63.100 -0.135 0.000 0.776 143 P CB 0.916 32.560 31.700 -0.095 0.000 0.889 144 S N 2.282 117.902 115.700 -0.134 0.000 2.537 144 S HA 0.337 4.807 4.470 -0.000 0.000 0.286 144 S C 1.307 175.804 174.600 -0.172 0.000 1.299 144 S CA -0.073 58.039 58.200 -0.146 0.000 1.067 144 S CB -0.275 62.907 63.200 -0.030 0.000 0.864 144 S HN 0.568 nan 8.310 nan 0.000 0.494 145 G N 1.574 110.208 108.800 -0.277 0.000 3.325 145 G HA2 0.301 4.261 3.960 -0.000 0.000 0.242 145 G HA3 0.301 4.261 3.960 -0.000 0.000 0.242 145 G C 0.650 175.488 174.900 -0.105 0.000 1.120 145 G CA -0.023 44.968 45.100 -0.182 0.000 1.778 145 G HN 0.855 nan 8.290 nan 0.000 0.610 146 H N -0.082 119.046 119.070 0.095 0.000 2.594 146 H HA 0.192 4.748 4.556 -0.000 0.000 0.274 146 H C 2.405 177.812 175.328 0.131 0.000 0.982 146 H CA -0.191 55.931 56.048 0.123 0.000 1.228 146 H CB 0.322 30.061 29.762 -0.039 0.000 1.447 146 H HN 0.364 nan 8.280 nan 0.000 0.485 147 I N 1.149 121.829 120.570 0.184 0.000 2.118 147 I HA -0.320 3.850 4.170 -0.000 0.000 0.241 147 I C 2.276 178.458 176.117 0.109 0.000 1.070 147 I CA 1.610 62.979 61.300 0.114 0.000 1.327 147 I CB -0.118 37.920 38.000 0.063 0.000 1.034 147 I HN 0.143 nan 8.210 nan 0.000 0.405 148 Q N 0.074 119.925 119.800 0.084 0.000 2.378 148 Q HA 0.122 4.462 4.340 -0.000 0.000 0.205 148 Q C 1.014 177.043 176.000 0.047 0.000 0.954 148 Q CA 0.576 56.405 55.803 0.043 0.000 0.901 148 Q CB -0.416 28.321 28.738 -0.002 0.000 0.981 148 Q HN 0.726 nan 8.270 nan 0.000 0.483 149 G N -0.022 108.851 108.800 0.123 0.000 2.616 149 G HA2 0.408 4.368 3.960 -0.000 0.000 0.268 149 G HA3 0.408 4.368 3.960 -0.000 0.000 0.268 149 G C -0.379 174.539 174.900 0.029 0.000 1.213 149 G CA -0.117 44.995 45.100 0.021 0.000 0.926 149 G HN 0.276 nan 8.290 nan 0.000 0.523 150 T N -0.351 114.057 114.554 -0.244 0.000 2.876 150 T HA 0.475 4.825 4.350 -0.000 0.000 0.289 150 T C -0.879 173.576 174.700 -0.409 0.000 1.014 150 T CA -0.126 61.910 62.100 -0.106 0.000 0.986 150 T CB 1.422 70.259 68.868 -0.051 0.000 1.021 150 T HN 0.297 nan 8.240 nan 0.000 0.458 151 F N 0.198 120.179 119.950 0.052 0.000 2.815 151 F HA 0.354 4.881 4.527 0.000 0.000 0.335 151 F C 1.791 177.603 175.800 0.021 0.000 1.179 151 F CA -0.538 57.492 58.000 0.051 0.000 1.204 151 F CB -0.420 38.614 39.000 0.057 0.000 1.050 151 F HN 0.731 nan 8.300 nan 0.000 0.510 152 E N 0.769 121.036 120.200 0.111 0.000 2.031 152 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 152 E C 1.927 178.538 176.600 0.018 0.000 0.994 152 E CA 1.871 58.307 56.400 0.059 0.000 0.800 152 E CB -0.665 29.056 29.700 0.035 0.000 0.752 152 E HN 0.455 nan 8.360 nan 0.000 0.447 153 L N -0.193 121.035 121.223 0.007 0.000 2.141 153 L HA 0.056 4.396 4.340 -0.000 0.000 0.209 153 L C 2.904 179.653 176.870 -0.201 0.000 1.094 153 L CA 1.347 56.158 54.840 -0.048 0.000 0.763 153 L CB -0.102 41.974 42.059 0.027 0.000 0.908 153 L HN 0.441 nan 8.230 nan 0.000 0.437 154 A N -0.528 122.237 122.820 -0.091 0.000 2.015 154 A HA -0.156 4.163 4.320 -0.000 0.000 0.219 154 A C 1.772 179.245 177.584 -0.184 0.000 1.163 154 A CA 1.770 53.699 52.037 -0.180 0.000 0.646 154 A CB -0.525 18.593 19.000 0.197 0.000 0.806 154 A HN 0.507 nan 8.150 nan 0.000 0.448 155 N N -0.379 118.278 118.700 -0.072 0.000 2.280 155 N HA 0.208 4.948 4.740 -0.000 0.000 0.192 155 N C 0.546 176.007 175.510 -0.081 0.000 1.109 155 N CA 0.723 53.740 53.050 -0.055 0.000 0.855 155 N CB -0.093 38.393 38.487 -0.001 0.000 0.974 155 N HN 0.493 nan 8.380 nan 0.000 0.482 156 K N 1.086 121.412 120.400 -0.125 0.000 2.524 156 K HA 0.216 4.536 4.320 -0.000 0.000 0.279 156 K C 1.361 177.904 176.600 -0.094 0.000 0.993 156 K CA 0.670 56.896 56.287 -0.103 0.000 1.030 156 K CB -0.795 31.632 32.500 -0.122 0.000 0.891 156 K HN 0.379 nan 8.250 nan 0.000 0.488 157 E N 1.354 121.518 120.200 -0.060 0.000 2.065 157 E HA -0.238 4.112 4.350 -0.000 0.000 0.201 157 E C 2.438 179.007 176.600 -0.052 0.000 1.016 157 E CA 2.830 59.202 56.400 -0.047 0.000 0.818 157 E CB -1.538 28.142 29.700 -0.032 0.000 0.749 157 E HN 1.148 nan 8.360 nan 0.000 0.453 158 E N 1.269 121.439 120.200 -0.051 0.000 2.147 158 E HA -0.282 4.068 4.350 -0.000 0.000 0.199 158 E C 1.954 178.521 176.600 -0.054 0.000 1.005 158 E CA 1.737 58.112 56.400 -0.042 0.000 0.810 158 E CB -0.847 28.833 29.700 -0.033 0.000 0.736 158 E HN 0.587 nan 8.360 nan 0.000 0.460 159 N N -0.824 117.807 118.700 -0.115 0.000 2.398 159 N HA 0.066 4.806 4.740 -0.000 0.000 0.188 159 N C 2.008 177.454 175.510 -0.107 0.000 1.122 159 N CA 1.009 53.959 53.050 -0.167 0.000 0.866 159 N CB 0.014 38.187 38.487 -0.524 0.000 0.970 159 N HN 0.590 nan 8.380 nan 0.000 0.462 160 R N 1.329 121.783 120.500 -0.076 0.000 2.096 160 R HA -0.125 4.215 4.340 -0.000 0.000 0.240 160 R C 2.083 178.372 176.300 -0.019 0.000 1.139 160 R CA 2.117 58.190 56.100 -0.045 0.000 0.952 160 R CB -1.913 28.364 30.300 -0.038 0.000 0.854 160 R HN 0.513 nan 8.270 nan 0.000 0.436 161 E N 1.544 121.734 120.200 -0.016 0.000 2.478 161 E HA -0.062 4.288 4.350 -0.000 0.000 0.198 161 E C 1.909 178.508 176.600 -0.002 0.000 1.046 161 E CA 1.200 57.591 56.400 -0.015 0.000 0.870 161 E CB -0.417 29.273 29.700 -0.017 0.000 0.818 161 E HN 0.816 nan 8.360 nan 0.000 0.527 162 K N 0.180 120.602 120.400 0.037 0.000 2.379 162 K HA 0.102 4.422 4.320 -0.000 0.000 0.194 162 K C -0.018 176.636 176.600 0.090 0.000 1.031 162 K CA -0.162 56.175 56.287 0.083 0.000 1.037 162 K CB 0.406 33.026 32.500 0.199 0.000 0.824 162 K HN 0.137 nan 8.250 nan 0.000 0.516 163 N N 1.282 120.028 118.700 0.076 0.000 2.430 163 N HA 0.107 4.847 4.740 -0.000 0.000 0.292 163 N C 0.315 175.803 175.510 -0.037 0.000 1.051 163 N CA -0.097 52.992 53.050 0.064 0.000 0.917 163 N CB 1.862 40.412 38.487 0.106 0.000 1.164 163 N HN 0.015 nan 8.380 nan 0.000 0.484 164 R N 1.679 122.122 120.500 -0.096 0.000 2.062 164 R HA 0.039 4.379 4.340 -0.000 0.000 0.226 164 R C -0.313 175.695 176.300 -0.486 0.000 1.125 164 R CA 1.159 57.066 56.100 -0.322 0.000 0.966 164 R CB 0.198 30.255 30.300 -0.406 0.000 0.861 164 R HN 0.518 nan 8.270 nan 0.000 0.433 165 Y N 0.170 120.474 120.300 0.008 0.000 2.328 165 Y HA 0.333 4.883 4.550 -0.000 0.000 0.336 165 Y C -1.716 174.193 175.900 0.015 0.000 0.960 165 Y CA -2.812 55.292 58.100 0.007 0.000 1.134 165 Y CB 1.980 40.443 38.460 0.005 0.000 1.166 165 Y HN 0.093 nan 8.280 nan 0.000 0.464 166 P HA -0.027 nan 4.420 nan 0.000 0.241 166 P C 0.157 177.490 177.300 0.055 0.000 1.191 166 P CA 1.002 64.144 63.100 0.070 0.000 0.771 166 P CB 0.612 32.330 31.700 0.030 0.000 0.929 167 N N 0.013 118.756 118.700 0.071 0.000 2.392 167 N HA 0.098 4.838 4.740 -0.000 0.000 0.177 167 N C 0.662 176.207 175.510 0.058 0.000 1.066 167 N CA 0.378 53.439 53.050 0.019 0.000 0.895 167 N CB 0.527 39.016 38.487 0.003 0.000 0.988 167 N HN 0.288 nan 8.380 nan 0.000 0.457 168 I N 2.206 122.844 120.570 0.113 0.000 2.361 168 I HA 0.288 4.458 4.170 -0.000 0.000 0.282 168 I C -0.725 175.493 176.117 0.169 0.000 1.075 168 I CA -0.133 61.244 61.300 0.128 0.000 1.205 168 I CB 0.518 38.575 38.000 0.094 0.000 1.406 168 I HN -0.274 nan 8.210 nan 0.000 0.481 169 L N 7.347 128.701 121.223 0.218 0.000 2.388 169 L HA 0.637 4.977 4.340 -0.000 0.000 0.264 169 L C -2.462 174.627 176.870 0.366 0.000 0.998 169 L CA -1.989 53.026 54.840 0.292 0.000 0.817 169 L CB 2.529 44.784 42.059 0.327 0.000 1.338 169 L HN 0.241 nan 8.230 nan 0.000 0.414 170 P HA 0.126 nan 4.420 nan 0.000 0.279 170 P C -1.285 176.048 177.300 0.056 0.000 1.239 170 P CA -0.479 62.715 63.100 0.157 0.000 0.789 170 P CB 0.638 32.379 31.700 0.069 0.000 0.933 171 N N 1.277 119.845 118.700 -0.221 0.000 2.399 171 N HA -0.000 4.740 4.740 -0.000 0.000 0.250 171 N C 0.405 175.750 175.510 -0.275 0.000 1.272 171 N CA 0.051 52.684 53.050 -0.694 0.000 0.928 171 N CB -0.193 37.852 38.487 -0.736 0.000 1.158 171 N HN 0.204 nan 8.380 nan 0.000 0.463 172 D N -1.190 119.058 120.400 -0.254 0.000 2.219 172 D HA -0.144 4.496 4.640 -0.000 0.000 0.205 172 D C 1.305 177.596 176.300 -0.014 0.000 0.970 172 D CA 1.277 55.232 54.000 -0.074 0.000 0.851 172 D CB -0.312 40.460 40.800 -0.048 0.000 0.943 172 D HN 0.786 nan 8.370 nan 0.000 0.488 173 H N 0.068 119.079 119.070 -0.097 0.000 2.372 173 H HA 0.098 4.654 4.556 -0.000 0.000 0.301 173 H C 1.212 176.542 175.328 0.004 0.000 1.065 173 H CA 1.570 57.591 56.048 -0.045 0.000 1.364 173 H CB 0.324 30.051 29.762 -0.058 0.000 1.406 173 H HN -0.115 nan 8.280 nan 0.000 0.521 174 S N 0.615 116.363 115.700 0.080 0.000 2.572 174 S HA 0.143 4.613 4.470 -0.000 0.000 0.228 174 S C 0.629 175.271 174.600 0.070 0.000 0.963 174 S CA -0.472 57.795 58.200 0.112 0.000 0.939 174 S CB 0.169 63.455 63.200 0.143 0.000 0.804 174 S HN 0.275 nan 8.310 nan 0.000 0.480 175 R N 2.216 122.716 120.500 0.000 0.000 2.570 175 R HA 0.106 4.446 4.340 -0.000 0.000 0.277 175 R C -0.600 175.624 176.300 -0.126 0.000 1.039 175 R CA 0.185 56.247 56.100 -0.064 0.000 1.065 175 R CB 0.298 30.591 30.300 -0.012 0.000 0.964 175 R HN 0.049 nan 8.270 nan 0.000 0.428 176 V N 7.087 126.809 119.914 -0.321 0.000 2.521 176 V HA 0.078 4.198 4.120 -0.000 0.000 0.286 176 V C 0.590 176.576 176.094 -0.180 0.000 1.034 176 V CA 0.129 62.185 62.300 -0.406 0.000 1.045 176 V CB 0.704 32.208 31.823 -0.532 0.000 0.974 176 V HN 0.550 nan 8.190 nan 0.000 0.480 177 I N 4.780 125.314 120.570 -0.060 0.000 2.354 177 I HA 0.522 4.692 4.170 -0.000 0.000 0.286 177 I C -0.297 175.818 176.117 -0.004 0.000 1.007 177 I CA -0.600 60.692 61.300 -0.013 0.000 1.167 177 I CB 1.045 39.062 38.000 0.028 0.000 1.320 177 I HN 0.313 nan 8.210 nan 0.000 0.458 178 L N 4.432 125.649 121.223 -0.011 0.000 2.436 178 L HA 0.406 4.745 4.340 -0.000 0.000 0.265 178 L C 1.352 178.241 176.870 0.033 0.000 1.168 178 L CA -0.023 54.822 54.840 0.009 0.000 0.815 178 L CB 0.821 42.883 42.059 0.005 0.000 1.109 178 L HN 0.881 nan 8.230 nan 0.000 0.462 179 S N 1.091 116.818 115.700 0.045 0.000 2.560 179 S HA 0.091 4.560 4.470 -0.000 0.000 0.284 179 S C 0.161 174.789 174.600 0.046 0.000 1.327 179 S CA -0.234 57.995 58.200 0.048 0.000 1.055 179 S CB 0.207 63.443 63.200 0.060 0.000 0.868 179 S HN 0.550 nan 8.310 nan 0.000 0.506 180 Q N 1.035 120.860 119.800 0.041 0.000 2.244 180 Q HA 0.510 4.850 4.340 -0.000 0.000 0.276 180 Q C -0.097 175.926 176.000 0.038 0.000 1.122 180 Q CA 0.495 56.321 55.803 0.039 0.000 0.920 180 Q CB -0.351 28.407 28.738 0.033 0.000 1.186 180 Q HN 0.866 nan 8.270 nan 0.000 0.393 184 I N 1.814 122.396 120.570 0.019 0.000 2.325 184 I HA 0.800 4.970 4.170 -0.000 0.000 0.291 184 I C -1.608 174.522 176.117 0.022 0.000 1.019 184 I CA -2.613 58.699 61.300 0.020 0.000 1.302 184 I CB 0.391 38.405 38.000 0.024 0.000 1.401 184 I HN 0.054 nan 8.210 nan 0.000 0.485 185 P HA 0.319 nan 4.420 nan 0.000 0.271 185 P C 0.708 178.020 177.300 0.020 0.000 1.218 185 P CA 1.086 64.195 63.100 0.016 0.000 0.780 185 P CB 0.644 32.349 31.700 0.009 0.000 0.901 186 C N 0.682 119.995 119.300 0.022 0.000 4.356 186 C HA -0.096 4.364 4.460 -0.000 0.000 0.296 186 C C 1.842 176.867 174.990 0.059 0.000 1.424 186 C CA 1.117 60.152 59.018 0.029 0.000 2.000 186 C CB -3.061 24.681 27.740 0.003 0.000 1.262 186 C HN 0.726 nan 8.230 nan 0.000 0.789 187 S N -0.814 114.920 115.700 0.057 0.000 2.603 187 S HA 0.401 4.871 4.470 -0.000 0.000 0.220 187 S C 1.474 176.120 174.600 0.078 0.000 0.967 187 S CA 1.834 60.073 58.200 0.066 0.000 0.920 187 S CB -0.598 62.631 63.200 0.049 0.000 0.773 187 S HN 1.873 nan 8.310 nan 0.000 0.529 188 D N -0.490 119.964 120.400 0.089 0.000 2.269 188 D HA 0.155 4.795 4.640 -0.000 0.000 0.208 188 D C 0.502 176.871 176.300 0.115 0.000 0.963 188 D CA 0.460 54.514 54.000 0.090 0.000 0.864 188 D CB -0.323 40.529 40.800 0.087 0.000 0.936 188 D HN 0.673 nan 8.370 nan 0.000 0.505 189 Y N -0.588 119.713 120.300 0.002 0.000 2.387 189 Y HA 0.602 5.152 4.550 -0.000 0.000 0.336 189 Y C -0.625 175.270 175.900 -0.009 0.000 1.067 189 Y CA -1.425 56.672 58.100 -0.005 0.000 1.114 189 Y CB 1.372 39.832 38.460 0.000 0.000 1.208 189 Y HN 0.185 nan 8.280 nan 0.000 0.458 190 I N 5.100 125.178 120.570 -0.821 0.000 2.827 190 I HA 0.282 4.452 4.170 -0.000 0.000 0.298 190 I C -1.333 174.187 176.117 -0.996 0.000 1.235 190 I CA -0.917 59.950 61.300 -0.721 0.000 1.021 190 I CB 1.850 39.656 38.000 -0.324 0.000 1.259 190 I HN 0.684 nan 8.210 nan 0.000 0.427 191 N N 5.787 124.126 118.700 -0.602 0.000 2.895 191 N HA 0.500 5.240 4.740 -0.000 0.000 0.277 191 N C -1.195 174.197 175.510 -0.196 0.000 1.185 191 N CA 0.258 53.120 53.050 -0.313 0.000 1.106 191 N CB 0.092 38.540 38.487 -0.064 0.000 1.422 191 N HN 0.659 nan 8.380 nan 0.000 0.521 192 A N 1.074 123.754 122.820 -0.233 0.000 2.604 192 A HA 0.683 5.003 4.320 -0.000 0.000 0.295 192 A C -1.125 176.329 177.584 -0.216 0.000 1.067 192 A CA -0.659 51.266 52.037 -0.186 0.000 0.683 192 A CB 0.988 19.860 19.000 -0.213 0.000 1.281 192 A HN 0.375 nan 8.150 nan 0.000 0.407 193 S N 0.046 115.637 115.700 -0.181 0.000 2.546 193 S HA 0.702 5.172 4.470 -0.000 0.000 0.274 193 S C -1.226 173.280 174.600 -0.157 0.000 1.121 193 S CA -0.652 57.438 58.200 -0.184 0.000 0.887 193 S CB 0.715 63.880 63.200 -0.060 0.000 1.094 193 S HN 0.542 nan 8.310 nan 0.000 0.474 194 Y N 1.347 121.647 120.300 -0.001 0.000 2.511 194 Y HA 0.447 4.997 4.550 -0.000 0.000 0.332 194 Y C 0.459 176.388 175.900 0.047 0.000 1.177 194 Y CA -0.303 57.811 58.100 0.024 0.000 1.422 194 Y CB 0.257 38.718 38.460 0.001 0.000 1.271 194 Y HN 0.458 nan 8.280 nan 0.000 0.550 195 I N 3.712 124.443 120.570 0.269 0.000 2.533 195 I HA 0.201 4.371 4.170 -0.000 0.000 0.290 195 I C -0.942 175.347 176.117 0.286 0.000 1.056 195 I CA -1.035 60.391 61.300 0.210 0.000 1.057 195 I CB 2.009 40.111 38.000 0.170 0.000 1.240 195 I HN 0.513 nan 8.210 nan 0.000 0.423 196 D N 3.920 124.441 120.400 0.202 0.000 2.329 196 D HA 0.427 5.067 4.640 -0.000 0.000 0.246 196 D C 0.379 176.930 176.300 0.418 0.000 1.111 196 D CA 0.074 54.210 54.000 0.227 0.000 0.941 196 D CB 1.663 42.541 40.800 0.131 0.000 1.169 196 D HN 0.691 nan 8.370 nan 0.000 0.441 197 G N -0.654 108.372 108.800 0.377 0.000 2.613 197 G HA2 0.281 4.241 3.960 -0.000 0.000 0.303 197 G HA3 0.281 4.241 3.960 -0.000 0.000 0.303 197 G C -1.064 174.053 174.900 0.362 0.000 1.312 197 G CA -0.629 44.748 45.100 0.461 0.000 1.036 197 G HN 0.419 nan 8.290 nan 0.000 0.513 198 Y N 0.718 121.082 120.300 0.106 0.000 2.569 198 Y HA 0.316 4.866 4.550 -0.000 0.000 0.332 198 Y C 1.199 177.130 175.900 0.051 0.000 1.120 198 Y CA 0.822 58.939 58.100 0.028 0.000 1.416 198 Y CB -0.199 38.196 38.460 -0.108 0.000 1.210 198 Y HN 1.097 nan 8.280 nan 0.000 0.528 199 K N 3.662 123.805 120.400 -0.429 0.000 3.156 199 K HA -0.280 4.040 4.320 -0.000 0.000 0.266 199 K C -0.243 176.294 176.600 -0.105 0.000 0.966 199 K CA 1.580 57.676 56.287 -0.318 0.000 0.719 199 K CB -2.134 30.089 32.500 -0.462 0.000 1.333 199 K HN 0.883 nan 8.250 nan 0.000 0.468 200 E N -1.232 118.950 120.200 -0.031 0.000 2.466 200 E HA 0.482 4.832 4.350 -0.000 0.000 0.308 200 E C -0.102 176.499 176.600 0.002 0.000 0.933 200 E CA 0.149 56.537 56.400 -0.019 0.000 0.800 200 E CB 0.876 30.562 29.700 -0.023 0.000 1.434 200 E HN 0.790 nan 8.360 nan 0.000 0.389 201 K N 2.867 123.255 120.400 -0.020 0.000 2.484 201 K HA 0.073 4.393 4.320 -0.000 0.000 0.280 201 K C 0.380 176.959 176.600 -0.035 0.000 1.013 201 K CA 0.574 56.848 56.287 -0.020 0.000 1.029 201 K CB -0.344 32.128 32.500 -0.048 0.000 0.902 201 K HN 0.734 nan 8.250 nan 0.000 0.481 202 N N -0.549 118.153 118.700 0.002 0.000 2.740 202 N HA -0.207 4.533 4.740 -0.000 0.000 0.248 202 N C 1.194 176.709 175.510 0.008 0.000 1.062 202 N CA 1.581 54.644 53.050 0.022 0.000 0.704 202 N CB -1.893 36.502 38.487 -0.155 0.000 0.968 202 N HN 0.987 nan 8.380 nan 0.000 0.547 203 K N -0.912 119.472 120.400 -0.027 0.000 2.097 203 K HA 0.095 4.415 4.320 -0.000 0.000 0.205 203 K C 0.599 176.926 176.600 -0.455 0.000 1.050 203 K CA 1.515 57.618 56.287 -0.306 0.000 0.938 203 K CB -0.214 32.000 32.500 -0.476 0.000 0.718 203 K HN 0.364 nan 8.250 nan 0.000 0.442 204 F N -1.627 118.391 119.950 0.112 0.000 2.598 204 F HA 0.628 5.155 4.527 0.000 0.000 0.327 204 F C -0.027 175.834 175.800 0.101 0.000 1.057 204 F CA -1.526 56.538 58.000 0.106 0.000 0.957 204 F CB 2.011 41.085 39.000 0.125 0.000 1.278 204 F HN -0.161 nan 8.300 nan 0.000 0.484 205 I N 1.796 122.518 120.570 0.253 0.000 2.410 205 I HA 0.459 4.629 4.170 -0.000 0.000 0.286 205 I C -0.621 175.543 176.117 0.077 0.000 1.009 205 I CA -0.783 60.565 61.300 0.079 0.000 1.111 205 I CB 1.511 39.475 38.000 -0.059 0.000 1.262 205 I HN 0.674 nan 8.210 nan 0.000 0.443 206 A N 5.987 128.833 122.820 0.042 0.000 2.310 206 A HA 0.789 5.109 4.320 -0.000 0.000 0.300 206 A C -0.009 177.569 177.584 -0.010 0.000 1.269 206 A CA -0.214 51.833 52.037 0.017 0.000 0.909 206 A CB 0.227 19.229 19.000 0.003 0.000 1.144 206 A HN 0.757 nan 8.150 nan 0.000 0.540 207 A N 2.801 125.632 122.820 0.019 0.000 2.374 207 A HA 0.652 4.972 4.320 -0.000 0.000 0.317 207 A C -0.037 177.557 177.584 0.017 0.000 1.094 207 A CA -0.724 51.316 52.037 0.005 0.000 0.765 207 A CB 0.718 19.744 19.000 0.044 0.000 1.268 207 A HN 1.022 nan 8.150 nan 0.000 0.438 208 Q N 1.371 121.157 119.800 -0.025 0.000 2.373 208 Q HA 0.452 4.792 4.340 -0.000 0.000 0.255 208 Q C 0.415 176.323 176.000 -0.153 0.000 0.980 208 Q CA -0.006 55.780 55.803 -0.029 0.000 0.882 208 Q CB 0.741 29.477 28.738 -0.003 0.000 1.249 208 Q HN 0.883 nan 8.270 nan 0.000 0.438 209 G N 3.795 112.512 108.800 -0.138 0.000 2.313 209 G HA2 0.235 4.195 3.960 -0.000 0.000 0.250 209 G HA3 0.235 4.195 3.960 -0.000 0.000 0.250 209 G C -2.207 172.448 174.900 -0.407 0.000 1.281 209 G CA -0.915 43.963 45.100 -0.370 0.000 0.917 209 G HN 0.645 nan 8.290 nan 0.000 0.501 210 P HA 0.178 nan 4.420 nan 0.000 0.272 210 P C -0.328 176.823 177.300 -0.249 0.000 1.223 210 P CA -0.065 62.738 63.100 -0.495 0.000 0.784 210 P CB 1.108 32.334 31.700 -0.790 0.000 0.923 211 K N -0.770 119.515 120.400 -0.192 0.000 2.295 211 K HA 0.519 4.839 4.320 -0.000 0.000 0.239 211 K C 1.531 177.938 176.600 -0.321 0.000 0.991 211 K CA -0.859 55.320 56.287 -0.181 0.000 0.845 211 K CB -0.066 32.344 32.500 -0.151 0.000 1.197 211 K HN 0.218 nan 8.250 nan 0.000 0.441 212 Q N 1.377 120.810 119.800 -0.612 0.000 2.124 212 Q HA -0.287 4.053 4.340 -0.000 0.000 0.215 212 Q C 1.625 177.466 176.000 -0.266 0.000 1.015 212 Q CA 2.948 58.330 55.803 -0.702 0.000 0.890 212 Q CB -1.367 27.066 28.738 -0.510 0.000 0.966 212 Q HN 0.816 nan 8.270 nan 0.000 0.412 213 E N 0.051 120.148 120.200 -0.172 0.000 2.418 213 E HA 0.022 4.372 4.350 -0.000 0.000 0.197 213 E C 1.681 178.259 176.600 -0.036 0.000 1.026 213 E CA 1.293 57.648 56.400 -0.075 0.000 0.862 213 E CB 0.228 29.893 29.700 -0.058 0.000 0.799 213 E HN 0.864 nan 8.360 nan 0.000 0.518 214 T N -3.849 110.670 114.554 -0.059 0.000 3.091 214 T HA 0.202 4.552 4.350 -0.000 0.000 0.277 214 T C 1.485 176.183 174.700 -0.003 0.000 0.996 214 T CA -0.268 61.818 62.100 -0.023 0.000 0.897 214 T CB -0.005 68.835 68.868 -0.047 0.000 1.109 214 T HN -0.061 nan 8.240 nan 0.000 0.534 215 V N 2.697 122.615 119.914 0.008 0.000 2.407 215 V HA -0.175 3.945 4.120 -0.000 0.000 0.248 215 V C 2.594 178.826 176.094 0.231 0.000 1.055 215 V CA 1.995 64.338 62.300 0.071 0.000 1.049 215 V CB -0.664 31.265 31.823 0.177 0.000 0.662 215 V HN 0.641 nan 8.190 nan 0.000 0.455 216 N N 0.296 119.155 118.700 0.265 0.000 2.106 216 N HA -0.165 4.575 4.740 -0.000 0.000 0.188 216 N C 1.722 177.373 175.510 0.234 0.000 1.029 216 N CA 1.548 54.791 53.050 0.322 0.000 0.848 216 N CB -0.333 38.305 38.487 0.251 0.000 1.007 216 N HN 0.703 nan 8.380 nan 0.000 0.423 217 D N 1.193 121.679 120.400 0.143 0.000 2.178 217 D HA -0.168 4.472 4.640 -0.000 0.000 0.201 217 D C 1.627 177.958 176.300 0.051 0.000 0.980 217 D CA 0.747 54.797 54.000 0.084 0.000 0.842 217 D CB -0.758 40.069 40.800 0.045 0.000 0.948 217 D HN 0.182 nan 8.370 nan 0.000 0.472 218 F N -0.622 119.251 119.950 -0.128 0.000 2.102 218 F HA 0.001 4.528 4.527 0.000 0.000 0.298 218 F C 2.047 177.697 175.800 -0.250 0.000 1.105 218 F CA 1.538 59.357 58.000 -0.302 0.000 1.239 218 F CB -0.445 38.227 39.000 -0.547 0.000 0.991 218 F HN 0.305 nan 8.300 nan 0.000 0.474 219 W N 0.339 121.609 121.300 -0.051 0.000 2.402 219 W HA -0.028 4.631 4.660 -0.000 0.000 0.286 219 W C 2.712 179.220 176.519 -0.018 0.000 1.221 219 W CA 0.894 58.195 57.345 -0.073 0.000 1.257 219 W CB -0.337 29.142 29.460 0.032 0.000 1.120 219 W HN -0.157 nan 8.180 nan 0.000 0.551 220 R N 0.396 121.028 120.500 0.221 0.000 2.115 220 R HA -0.166 4.174 4.340 -0.000 0.000 0.230 220 R C 2.114 178.486 176.300 0.120 0.000 1.111 220 R CA 1.400 57.613 56.100 0.188 0.000 0.976 220 R CB -0.480 29.898 30.300 0.130 0.000 0.870 220 R HN 0.264 nan 8.270 nan 0.000 0.445 221 M N 0.195 119.772 119.600 -0.038 0.000 2.077 221 M HA -0.156 4.324 4.480 -0.000 0.000 0.261 221 M C 1.898 178.125 176.300 -0.122 0.000 1.070 221 M CA 1.607 56.830 55.300 -0.129 0.000 1.125 221 M CB 0.014 32.445 32.600 -0.280 0.000 1.339 221 M HN -0.004 nan 8.290 nan 0.000 0.409 222 V N 0.068 119.858 119.914 -0.207 0.000 2.332 222 V HA -0.333 3.787 4.120 -0.000 0.000 0.248 222 V C 2.119 178.275 176.094 0.103 0.000 1.055 222 V CA 2.229 64.464 62.300 -0.108 0.000 1.038 222 V CB -1.071 30.679 31.823 -0.123 0.000 0.651 222 V HN 0.749 nan 8.190 nan 0.000 0.450 223 W N 0.952 122.276 121.300 0.041 0.000 2.408 223 W HA -0.106 4.554 4.660 -0.000 0.000 0.311 223 W C 2.341 178.881 176.519 0.035 0.000 1.190 223 W CA 1.668 59.054 57.345 0.068 0.000 1.321 223 W CB -0.056 29.458 29.460 0.090 0.000 1.143 223 W HN 0.319 nan 8.180 nan 0.000 0.501 224 E N -0.192 120.090 120.200 0.137 0.000 2.204 224 E HA -0.227 4.123 4.350 -0.000 0.000 0.194 224 E C 1.970 178.539 176.600 -0.053 0.000 0.989 224 E CA 0.883 57.303 56.400 0.033 0.000 0.824 224 E CB -0.117 29.641 29.700 0.096 0.000 0.756 224 E HN 0.210 nan 8.360 nan 0.000 0.477 225 Q N 0.164 119.934 119.800 -0.050 0.000 2.403 225 Q HA 0.027 4.367 4.340 -0.000 0.000 0.203 225 Q C 0.011 175.963 176.000 -0.079 0.000 0.932 225 Q CA 0.296 56.076 55.803 -0.039 0.000 0.945 225 Q CB 0.405 29.132 28.738 -0.018 0.000 1.045 225 Q HN 0.211 nan 8.270 nan 0.000 0.511 226 K N 0.033 120.338 120.400 -0.157 0.000 3.192 226 K HA -0.099 4.221 4.320 -0.000 0.000 0.278 226 K C -0.490 176.050 176.600 -0.101 0.000 1.164 226 K CA 0.328 56.505 56.287 -0.184 0.000 0.816 226 K CB -2.028 30.382 32.500 -0.150 0.000 1.256 226 K HN 0.026 nan 8.250 nan 0.000 0.497 227 S N -0.123 115.536 115.700 -0.069 0.000 2.564 227 S HA 0.352 4.822 4.470 -0.000 0.000 0.278 227 S C 1.279 175.879 174.600 -0.001 0.000 1.333 227 S CA 0.049 58.225 58.200 -0.038 0.000 1.048 227 S CB 1.551 64.728 63.200 -0.038 0.000 0.900 227 S HN 0.444 nan 8.310 nan 0.000 0.505 228 A N 2.633 125.447 122.820 -0.011 0.000 2.229 228 A HA 0.351 4.671 4.320 -0.000 0.000 0.211 228 A C 0.639 178.255 177.584 0.053 0.000 1.193 228 A CA 0.171 52.219 52.037 0.019 0.000 0.879 228 A CB 0.332 19.302 19.000 -0.049 0.000 0.911 228 A HN 0.632 nan 8.150 nan 0.000 0.492 229 T N 0.444 115.021 114.554 0.040 0.000 2.921 229 T HA 0.594 4.944 4.350 -0.000 0.000 0.297 229 T C -0.860 173.884 174.700 0.074 0.000 1.013 229 T CA -0.126 62.006 62.100 0.053 0.000 0.990 229 T CB 1.478 70.354 68.868 0.013 0.000 1.023 229 T HN 0.171 nan 8.240 nan 0.000 0.447 230 I N 2.583 123.222 120.570 0.115 0.000 2.406 230 I HA 0.493 4.663 4.170 -0.000 0.000 0.290 230 I C -0.564 175.603 176.117 0.084 0.000 0.999 230 I CA -1.145 60.240 61.300 0.143 0.000 1.124 230 I CB 1.938 40.098 38.000 0.268 0.000 1.289 230 I HN 0.259 nan 8.210 nan 0.000 0.441 231 V N 7.096 127.013 119.914 0.004 0.000 2.313 231 V HA 0.325 4.445 4.120 -0.000 0.000 0.278 231 V C -0.009 175.924 176.094 -0.268 0.000 1.017 231 V CA -0.450 61.786 62.300 -0.106 0.000 0.823 231 V CB 1.411 33.055 31.823 -0.298 0.000 1.010 231 V HN 0.710 nan 8.190 nan 0.000 0.443 232 M N 5.970 125.418 119.600 -0.254 0.000 2.061 232 M HA 0.459 4.939 4.480 -0.000 0.000 0.346 232 M C -0.261 175.847 176.300 -0.320 0.000 1.112 232 M CA -0.255 54.690 55.300 -0.592 0.000 1.021 232 M CB 0.723 32.994 32.600 -0.547 0.000 1.530 232 M HN 0.567 nan 8.290 nan 0.000 0.437 233 L N 3.698 124.694 121.223 -0.378 0.000 2.741 233 L HA 0.262 4.602 4.340 -0.000 0.000 0.237 233 L C 0.550 177.304 176.870 -0.193 0.000 1.178 233 L CA -0.029 54.660 54.840 -0.252 0.000 0.973 233 L CB 0.235 42.048 42.059 -0.410 0.000 1.255 233 L HN 0.696 nan 8.230 nan 0.000 0.498 234 T N -1.157 113.321 114.554 -0.127 0.000 2.916 234 T HA 0.407 4.757 4.350 -0.000 0.000 0.292 234 T C -0.253 174.540 174.700 0.155 0.000 1.055 234 T CA -0.613 61.471 62.100 -0.027 0.000 1.009 234 T CB 1.641 70.489 68.868 -0.034 0.000 1.118 234 T HN -0.028 nan 8.240 nan 0.000 0.497 235 N N 1.892 120.702 118.700 0.182 0.000 2.447 235 N HA 0.411 5.151 4.740 -0.000 0.000 0.271 235 N C 1.334 176.946 175.510 0.171 0.000 1.226 235 N CA -0.539 52.663 53.050 0.253 0.000 0.980 235 N CB 1.088 39.674 38.487 0.165 0.000 1.206 235 N HN 0.517 nan 8.380 nan 0.000 0.558 236 L N 0.780 122.102 121.223 0.165 0.000 1.982 236 L HA -0.067 4.273 4.340 -0.000 0.000 0.206 236 L C 1.395 178.298 176.870 0.054 0.000 1.078 236 L CA 1.337 56.231 54.840 0.091 0.000 0.749 236 L CB -0.551 41.531 42.059 0.038 0.000 0.894 236 L HN 0.527 nan 8.230 nan 0.000 0.436 237 K N 0.887 121.313 120.400 0.042 0.000 2.098 237 K HA 0.654 4.974 4.320 -0.000 0.000 0.258 237 K C -0.310 176.318 176.600 0.047 0.000 0.973 237 K CA 0.100 56.408 56.287 0.035 0.000 0.898 237 K CB 0.579 33.090 32.500 0.018 0.000 1.057 237 K HN 0.277 nan 8.250 nan 0.000 0.447 238 E N 0.055 120.283 120.200 0.045 0.000 2.267 238 E HA 0.561 4.911 4.350 -0.000 0.000 0.248 238 E C 0.424 177.049 176.600 0.042 0.000 0.899 238 E CA -0.133 56.296 56.400 0.049 0.000 0.764 238 E CB 0.322 30.053 29.700 0.052 0.000 1.227 238 E HN 2.193 nan 8.360 nan 0.000 0.421 239 R N 0.007 120.529 120.500 0.038 0.000 3.333 239 R HA 0.067 4.407 4.340 -0.000 0.000 0.256 239 R C 1.615 177.931 176.300 0.027 0.000 1.010 239 R CA 2.785 58.904 56.100 0.032 0.000 0.680 239 R CB -3.274 27.047 30.300 0.035 0.000 1.102 239 R HN 2.664 nan 8.270 nan 0.000 0.440 240 K N -5.093 115.321 120.400 0.024 0.000 2.837 240 K HA 0.121 4.441 4.320 -0.000 0.000 0.389 240 K C 0.985 177.596 176.600 0.018 0.000 0.540 240 K CA 2.085 58.383 56.287 0.018 0.000 1.708 240 K CB -2.464 30.046 32.500 0.017 0.000 0.933 240 K HN 2.679 nan 8.250 nan 0.000 0.448 241 E N 1.259 121.474 120.200 0.025 0.000 2.259 241 E HA 0.573 4.923 4.350 -0.000 0.000 0.281 241 E C 0.231 176.848 176.600 0.029 0.000 1.027 241 E CA 0.552 56.968 56.400 0.027 0.000 0.838 241 E CB 0.417 30.139 29.700 0.037 0.000 1.066 241 E HN 1.802 nan 8.360 nan 0.000 0.401 242 E N 2.647 122.858 120.200 0.019 0.000 2.081 242 E HA 0.136 4.486 4.350 -0.000 0.000 0.270 242 E C 0.570 177.186 176.600 0.027 0.000 1.180 242 E CA -0.374 56.037 56.400 0.018 0.000 0.926 242 E CB 0.003 29.709 29.700 0.010 0.000 1.035 242 E HN 0.454 nan 8.360 nan 0.000 0.418 243 K N 0.206 120.632 120.400 0.044 0.000 2.365 243 K HA 0.130 4.449 4.320 -0.000 0.000 0.197 243 K C 0.320 176.954 176.600 0.057 0.000 1.042 243 K CA 0.468 56.795 56.287 0.067 0.000 0.987 243 K CB 0.095 32.638 32.500 0.070 0.000 0.779 243 K HN 0.635 nan 8.250 nan 0.000 0.484 244 C N 0.631 119.958 119.300 0.046 0.000 3.199 244 C HA 0.228 4.688 4.460 -0.000 0.000 0.392 244 C C -0.987 174.028 174.990 0.042 0.000 1.050 244 C CA -0.988 58.056 59.018 0.043 0.000 1.222 244 C CB 0.831 28.625 27.740 0.090 0.000 1.595 244 C HN 0.492 nan 8.230 nan 0.000 0.560 245 H N 3.622 122.650 119.070 -0.071 0.000 2.548 245 H HA 0.262 4.818 4.556 -0.000 0.000 0.331 245 H C -0.095 175.169 175.328 -0.107 0.000 1.093 245 H CA 0.430 56.420 56.048 -0.095 0.000 1.367 245 H CB 1.329 31.029 29.762 -0.102 0.000 1.455 245 H HN 0.879 nan 8.280 nan 0.000 0.519 246 Q N 4.457 123.828 119.800 -0.715 0.000 2.271 246 Q HA -0.046 4.294 4.340 -0.000 0.000 0.273 246 Q C -0.678 174.991 176.000 -0.552 0.000 1.051 246 Q CA -0.148 55.136 55.803 -0.866 0.000 0.901 246 Q CB 0.180 28.272 28.738 -1.077 0.000 1.174 246 Q HN 0.732 nan 8.270 nan 0.000 0.385 247 Y N 2.491 122.567 120.300 -0.373 0.000 2.696 247 Y HA 0.394 4.944 4.550 -0.000 0.000 0.260 247 Y C -1.352 174.638 175.900 0.149 0.000 1.165 247 Y CA -1.290 56.761 58.100 -0.081 0.000 1.189 247 Y CB -0.279 38.060 38.460 -0.201 0.000 1.180 247 Y HN 0.482 nan 8.280 nan 0.000 0.538 248 W N -0.197 121.029 121.300 -0.123 0.000 3.127 248 W HA 0.818 5.478 4.660 0.000 0.000 0.330 248 W C -3.262 173.301 176.519 0.074 0.000 1.187 248 W CA -3.076 54.236 57.345 -0.053 0.000 1.198 248 W CB 0.627 29.933 29.460 -0.257 0.000 1.408 248 W HN -0.251 nan 8.180 nan 0.000 0.529 249 P HA 0.177 nan 4.420 nan 0.000 0.271 249 P C 0.438 177.906 177.300 0.281 0.000 1.216 249 P CA 0.889 64.103 63.100 0.190 0.000 0.776 249 P CB 0.946 32.813 31.700 0.278 0.000 0.881 250 D N 1.432 121.900 120.400 0.113 0.000 2.085 250 D HA 0.052 4.692 4.640 -0.000 0.000 0.199 250 D C 1.195 177.609 176.300 0.191 0.000 0.981 250 D CA 1.745 55.843 54.000 0.164 0.000 0.834 250 D CB -0.557 40.269 40.800 0.044 0.000 0.992 250 D HN 0.696 nan 8.370 nan 0.000 0.457 251 Q N -1.584 118.300 119.800 0.140 0.000 2.301 251 Q HA 0.659 4.999 4.340 -0.000 0.000 0.267 251 Q C 1.257 177.350 176.000 0.156 0.000 1.035 251 Q CA 0.210 56.094 55.803 0.135 0.000 0.856 251 Q CB 1.013 29.807 28.738 0.093 0.000 1.337 251 Q HN 1.864 nan 8.270 nan 0.000 0.450 252 G N -0.662 108.227 108.800 0.148 0.000 2.556 252 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.283 252 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.283 252 G C 0.561 175.563 174.900 0.170 0.000 1.177 252 G CA 0.352 45.534 45.100 0.137 0.000 0.978 252 G HN 1.733 nan 8.290 nan 0.000 0.554 253 c N -1.098 117.597 118.600 0.158 0.000 3.044 253 c HA 0.924 5.494 4.570 -0.000 0.000 0.315 253 c C -0.619 173.603 174.090 0.221 0.000 1.320 253 c CA -0.388 56.032 56.329 0.151 0.000 1.582 253 c CB 1.930 44.475 42.510 0.057 0.000 2.039 253 c HN 0.841 nan 8.230 nan 0.000 0.466 254 W N 0.389 121.624 121.300 -0.109 0.000 3.800 254 W HA 0.482 5.142 4.660 -0.000 0.000 0.299 254 W C -0.685 175.632 176.519 -0.336 0.000 1.231 254 W CA -0.281 56.904 57.345 -0.266 0.000 1.232 254 W CB 1.317 30.526 29.460 -0.418 0.000 1.291 254 W HN 0.970 nan 8.180 nan 0.000 0.514 255 T N 3.938 118.113 114.554 -0.633 0.000 2.739 255 T HA 0.401 4.751 4.350 -0.000 0.000 0.298 255 T C -1.082 173.456 174.700 -0.270 0.000 0.929 255 T CA 0.210 62.087 62.100 -0.371 0.000 1.014 255 T CB -0.175 68.479 68.868 -0.357 0.000 0.914 255 T HN 0.253 nan 8.240 nan 0.000 0.509 256 Y N 3.783 124.108 120.300 0.043 0.000 2.751 256 Y HA 0.448 4.998 4.550 -0.000 0.000 0.333 256 Y C 1.520 177.466 175.900 0.077 0.000 1.122 256 Y CA 0.344 58.541 58.100 0.162 0.000 1.367 256 Y CB 0.424 39.007 38.460 0.205 0.000 1.242 256 Y HN 1.188 nan 8.280 nan 0.000 0.505 257 G N 1.681 110.569 108.800 0.146 0.000 2.536 257 G HA2 -0.445 3.515 3.960 -0.000 0.000 0.277 257 G HA3 -0.445 3.515 3.960 -0.000 0.000 0.277 257 G C 0.904 175.802 174.900 -0.003 0.000 1.155 257 G CA 0.301 45.447 45.100 0.078 0.000 0.960 257 G HN 0.773 nan 8.290 nan 0.000 0.544 258 N N -0.156 118.533 118.700 -0.019 0.000 2.276 258 N HA 0.566 5.306 4.740 -0.000 0.000 0.212 258 N C 0.389 175.800 175.510 -0.164 0.000 1.127 258 N CA 1.037 54.035 53.050 -0.088 0.000 0.834 258 N CB 0.149 38.586 38.487 -0.083 0.000 1.014 258 N HN 0.671 nan 8.380 nan 0.000 0.491 259 I N 1.206 121.698 120.570 -0.129 0.000 2.410 259 I HA 0.445 4.615 4.170 -0.000 0.000 0.286 259 I C 0.382 176.393 176.117 -0.177 0.000 1.009 259 I CA -1.156 60.013 61.300 -0.218 0.000 1.111 259 I CB 0.859 38.760 38.000 -0.165 0.000 1.262 259 I HN 0.387 nan 8.210 nan 0.000 0.443 260 R N 5.681 126.055 120.500 -0.211 0.000 2.198 260 R HA 0.670 5.010 4.340 -0.000 0.000 0.339 260 R C -0.833 175.368 176.300 -0.165 0.000 1.020 260 R CA -0.438 55.565 56.100 -0.161 0.000 0.864 260 R CB 0.524 30.738 30.300 -0.143 0.000 1.105 260 R HN 0.449 nan 8.270 nan 0.000 0.463 261 V N 1.538 121.359 119.914 -0.154 0.000 2.539 261 V HA 0.582 4.702 4.120 -0.000 0.000 0.292 261 V C 0.012 176.121 176.094 0.025 0.000 1.045 261 V CA -0.837 61.340 62.300 -0.205 0.000 0.945 261 V CB 1.685 33.191 31.823 -0.528 0.000 0.993 261 V HN 1.011 nan 8.190 nan 0.000 0.464 262 c N 3.371 122.045 118.600 0.124 0.000 2.608 262 c HA 0.503 5.073 4.570 -0.000 0.000 0.325 262 c C -0.073 174.242 174.090 0.375 0.000 1.147 262 c CA -0.897 55.562 56.329 0.216 0.000 1.359 262 c CB 1.545 44.139 42.510 0.141 0.000 1.912 262 c HN 0.632 nan 8.230 nan 0.000 0.466 263 V N 4.094 124.239 119.914 0.385 0.000 2.470 263 V HA 0.155 4.275 4.120 -0.000 0.000 0.276 263 V C 0.826 177.027 176.094 0.179 0.000 1.040 263 V CA 0.635 63.153 62.300 0.364 0.000 1.008 263 V CB 0.812 32.838 31.823 0.338 0.000 0.990 263 V HN 0.910 nan 8.190 nan 0.000 0.477 264 E N 2.513 122.772 120.200 0.099 0.000 2.330 264 E HA 0.218 4.568 4.350 -0.000 0.000 0.200 264 E C 0.663 177.272 176.600 0.014 0.000 0.922 264 E CA 1.044 57.478 56.400 0.057 0.000 0.935 264 E CB 0.600 30.334 29.700 0.057 0.000 0.917 264 E HN 0.915 nan 8.360 nan 0.000 0.491 265 D N -0.941 119.434 120.400 -0.040 0.000 2.717 265 D HA 0.607 5.247 4.640 -0.000 0.000 0.223 265 D C -0.872 175.369 176.300 -0.098 0.000 1.240 265 D CA -0.054 53.917 54.000 -0.047 0.000 0.801 265 D CB 0.955 41.733 40.800 -0.036 0.000 1.556 265 D HN 0.279 nan 8.370 nan 0.000 0.462 266 C N 1.239 120.502 119.300 -0.061 0.000 2.397 266 C HA 0.838 5.298 4.460 -0.000 0.000 0.325 266 C C -0.198 174.759 174.990 -0.055 0.000 1.201 266 C CA -0.619 58.355 59.018 -0.072 0.000 1.377 266 C CB 0.545 28.264 27.740 -0.034 0.000 2.038 266 C HN 0.749 nan 8.230 nan 0.000 0.457 267 V N 5.243 125.120 119.914 -0.062 0.000 2.357 267 V HA 0.546 4.666 4.120 -0.000 0.000 0.284 267 V C -0.027 176.000 176.094 -0.112 0.000 1.018 267 V CA -0.556 61.703 62.300 -0.069 0.000 0.841 267 V CB 1.321 33.117 31.823 -0.044 0.000 0.991 267 V HN 0.675 nan 8.190 nan 0.000 0.437 268 V N 7.238 127.064 119.914 -0.147 0.000 2.304 268 V HA 0.406 4.526 4.120 -0.000 0.000 0.269 268 V C 0.154 176.063 176.094 -0.309 0.000 1.036 268 V CA -0.096 62.082 62.300 -0.203 0.000 0.840 268 V CB 0.936 32.661 31.823 -0.164 0.000 1.036 268 V HN 0.636 nan 8.190 nan 0.000 0.466 269 L N 4.011 124.970 121.223 -0.441 0.000 2.440 269 L HA 0.459 4.799 4.340 -0.000 0.000 0.262 269 L C 1.500 178.064 176.870 -0.510 0.000 1.072 269 L CA -0.356 54.114 54.840 -0.617 0.000 0.798 269 L CB 1.178 42.699 42.059 -0.896 0.000 1.307 269 L HN 0.370 nan 8.230 nan 0.000 0.475 270 V N 0.575 120.205 119.914 -0.475 0.000 2.358 270 V HA -0.223 3.897 4.120 -0.000 0.000 0.246 270 V C 1.906 177.830 176.094 -0.282 0.000 1.047 270 V CA 2.752 64.868 62.300 -0.307 0.000 1.035 270 V CB -0.237 31.463 31.823 -0.206 0.000 0.658 270 V HN 0.990 nan 8.190 nan 0.000 0.452 271 D N -2.025 118.196 120.400 -0.299 0.000 2.327 271 D HA 0.231 4.871 4.640 -0.000 0.000 0.205 271 D C 0.563 176.635 176.300 -0.380 0.000 0.989 271 D CA 0.837 54.678 54.000 -0.266 0.000 0.873 271 D CB 0.024 40.820 40.800 -0.006 0.000 0.955 271 D HN 0.834 nan 8.370 nan 0.000 0.515 272 Y N -2.970 117.164 120.300 -0.276 0.000 2.624 272 Y HA 0.548 5.098 4.550 -0.000 0.000 0.334 272 Y C -0.458 175.380 175.900 -0.103 0.000 1.155 272 Y CA -0.924 57.062 58.100 -0.191 0.000 1.046 272 Y CB 1.027 39.559 38.460 0.121 0.000 1.316 272 Y HN -0.007 nan 8.280 nan 0.000 0.457 273 T N 0.532 115.120 114.554 0.058 0.000 2.924 273 T HA 0.785 5.135 4.350 -0.000 0.000 0.291 273 T C -1.465 173.333 174.700 0.163 0.000 1.045 273 T CA -0.718 61.380 62.100 -0.004 0.000 1.015 273 T CB 1.804 70.602 68.868 -0.116 0.000 1.103 273 T HN 0.914 nan 8.240 nan 0.000 0.496 274 I N 1.401 122.015 120.570 0.074 0.000 2.478 274 I HA 0.519 4.689 4.170 -0.000 0.000 0.287 274 I C -0.577 175.495 176.117 -0.076 0.000 1.042 274 I CA -0.872 60.470 61.300 0.070 0.000 1.067 274 I CB 1.583 39.663 38.000 0.132 0.000 1.233 274 I HN 0.667 nan 8.210 nan 0.000 0.431 275 R N 5.006 125.392 120.500 -0.190 0.000 2.599 275 R HA 0.492 4.832 4.340 -0.000 0.000 0.295 275 R C -1.221 174.734 176.300 -0.576 0.000 0.963 275 R CA -1.039 54.800 56.100 -0.435 0.000 0.883 275 R CB 2.310 32.211 30.300 -0.666 0.000 1.171 275 R HN 0.278 nan 8.270 nan 0.000 0.450 276 K N 2.935 123.019 120.400 -0.527 0.000 2.339 276 K HA 0.375 4.695 4.320 -0.000 0.000 0.264 276 K C -1.394 174.989 176.600 -0.363 0.000 0.986 276 K CA -0.074 56.013 56.287 -0.334 0.000 0.866 276 K CB 0.654 33.080 32.500 -0.124 0.000 1.103 276 K HN 0.298 nan 8.250 nan 0.000 0.441 277 F N 1.539 121.565 119.950 0.127 0.000 2.470 277 F HA 0.461 4.988 4.527 -0.000 0.000 0.329 277 F C -0.002 175.879 175.800 0.135 0.000 1.072 277 F CA -1.116 56.974 58.000 0.150 0.000 0.989 277 F CB 1.593 40.732 39.000 0.232 0.000 1.193 277 F HN 0.324 nan 8.300 nan 0.000 0.481 278 C N 6.101 125.604 119.300 0.339 0.000 2.362 278 C HA 0.637 5.097 4.460 -0.000 0.000 0.309 278 C C -0.160 174.928 174.990 0.163 0.000 1.110 278 C CA -0.786 58.364 59.018 0.220 0.000 1.485 278 C CB -1.567 26.268 27.740 0.158 0.000 1.949 278 C HN 0.668 nan 8.230 nan 0.000 0.419 279 I N 3.898 124.580 120.570 0.186 0.000 2.498 279 I HA 0.745 4.915 4.170 -0.000 0.000 0.301 279 I C -0.812 175.368 176.117 0.104 0.000 0.984 279 I CA -0.116 61.234 61.300 0.083 0.000 1.204 279 I CB 1.636 39.707 38.000 0.117 0.000 1.362 279 I HN 0.781 nan 8.210 nan 0.000 0.471 280 Q N 5.987 125.695 119.800 -0.154 0.000 2.574 280 Q HA 0.493 4.833 4.340 -0.000 0.000 0.265 280 Q C -2.999 172.722 176.000 -0.464 0.000 0.975 280 Q CA -1.258 54.361 55.803 -0.307 0.000 0.923 280 Q CB 3.042 31.732 28.738 -0.080 0.000 1.518 280 Q HN 0.531 nan 8.270 nan 0.000 0.401 289 A N 3.686 126.610 122.820 0.175 0.000 2.545 289 A HA 0.508 4.828 4.320 -0.000 0.000 0.253 289 A C -1.810 175.922 177.584 0.246 0.000 1.074 289 A CA -0.243 51.888 52.037 0.157 0.000 0.760 289 A CB -0.593 18.471 19.000 0.105 0.000 1.005 289 A HN 0.446 nan 8.150 nan 0.000 0.506 290 P HA 0.290 nan 4.420 nan 0.000 0.272 290 P C -0.425 177.015 177.300 0.234 0.000 1.230 290 P CA -0.198 63.037 63.100 0.225 0.000 0.788 290 P CB 0.742 32.522 31.700 0.133 0.000 0.949 291 R N 1.147 121.821 120.500 0.290 0.000 2.725 291 R HA 0.563 4.903 4.340 -0.000 0.000 0.277 291 R C -1.028 175.408 176.300 0.228 0.000 0.987 291 R CA -0.943 55.299 56.100 0.237 0.000 0.901 291 R CB 1.343 31.785 30.300 0.237 0.000 1.207 291 R HN 0.426 nan 8.270 nan 0.000 0.463 292 L N 3.916 125.247 121.223 0.180 0.000 2.265 292 L HA 0.433 4.773 4.340 -0.000 0.000 0.289 292 L C -0.805 176.181 176.870 0.193 0.000 1.033 292 L CA -0.769 54.178 54.840 0.178 0.000 0.814 292 L CB 1.804 43.939 42.059 0.126 0.000 1.203 292 L HN 0.322 nan 8.230 nan 0.000 0.423 293 V N 2.559 122.636 119.914 0.273 0.000 2.417 293 V HA 0.365 4.485 4.120 -0.000 0.000 0.291 293 V C -0.025 176.228 176.094 0.266 0.000 1.024 293 V CA -0.545 61.935 62.300 0.300 0.000 0.861 293 V CB 1.927 34.026 31.823 0.461 0.000 0.985 293 V HN 0.820 nan 8.190 nan 0.000 0.436 294 S N 4.639 120.431 115.700 0.154 0.000 2.429 294 S HA 0.520 4.990 4.470 -0.000 0.000 0.302 294 S C -0.550 174.102 174.600 0.086 0.000 1.115 294 S CA -0.703 57.534 58.200 0.061 0.000 1.095 294 S CB 1.461 64.671 63.200 0.017 0.000 0.987 294 S HN 0.741 nan 8.310 nan 0.000 0.474 295 Q N 2.795 122.621 119.800 0.043 0.000 2.278 295 Q HA 0.456 4.796 4.340 -0.000 0.000 0.257 295 Q C -1.653 174.370 176.000 0.038 0.000 0.928 295 Q CA -0.658 55.195 55.803 0.084 0.000 0.932 295 Q CB 0.720 29.529 28.738 0.119 0.000 1.221 295 Q HN 0.743 nan 8.270 nan 0.000 0.434 296 L N 4.372 125.647 121.223 0.087 0.000 2.294 296 L HA 0.357 4.697 4.340 -0.000 0.000 0.283 296 L C -0.458 176.637 176.870 0.375 0.000 1.015 296 L CA -0.293 54.662 54.840 0.192 0.000 0.831 296 L CB 1.275 43.327 42.059 -0.013 0.000 1.217 296 L HN 0.616 nan 8.230 nan 0.000 0.420 297 H N 3.834 123.059 119.070 0.258 0.000 2.638 297 H HA 0.273 4.829 4.556 -0.000 0.000 0.303 297 H C -1.059 174.366 175.328 0.162 0.000 1.034 297 H CA -0.935 55.198 56.048 0.143 0.000 1.225 297 H CB 0.804 30.565 29.762 -0.002 0.000 1.394 297 H HN 0.499 nan 8.280 nan 0.000 0.477 298 F N 5.169 125.174 119.950 0.092 0.000 2.462 298 F HA 0.077 4.604 4.527 -0.000 0.000 0.360 298 F C 0.778 176.574 175.800 -0.006 0.000 1.134 298 F CA 0.184 58.032 58.000 -0.253 0.000 1.148 298 F CB 0.935 39.485 39.000 -0.750 0.000 1.147 298 F HN 0.557 nan 8.300 nan 0.000 0.550 299 T N 2.802 117.104 114.554 -0.419 0.000 3.035 299 T HA -0.024 4.326 4.350 -0.000 0.000 0.259 299 T C 2.303 176.835 174.700 -0.281 0.000 1.078 299 T CA 1.187 63.098 62.100 -0.316 0.000 1.132 299 T CB -0.042 68.614 68.868 -0.353 0.000 0.900 299 T HN 0.703 nan 8.240 nan 0.000 0.480 300 S N 0.553 115.868 115.700 -0.641 0.000 2.481 300 S HA -0.022 4.448 4.470 -0.000 0.000 0.231 300 S C 0.766 175.360 174.600 -0.010 0.000 0.996 300 S CA 0.119 58.105 58.200 -0.356 0.000 0.942 300 S CB -0.509 62.376 63.200 -0.525 0.000 0.768 300 S HN 0.510 nan 8.310 nan 0.000 0.520 301 W N 4.338 125.654 121.300 0.027 0.000 2.397 301 W HA 0.219 4.879 4.660 -0.000 0.000 0.327 301 W C -2.469 174.046 176.519 -0.007 0.000 1.421 301 W CA -1.818 55.576 57.345 0.082 0.000 1.288 301 W CB 0.421 29.959 29.460 0.129 0.000 1.312 301 W HN 0.148 nan 8.180 nan 0.000 0.559 302 P HA 0.110 nan 4.420 nan 0.000 0.274 302 P C 0.456 177.900 177.300 0.240 0.000 1.246 302 P CA 0.696 63.899 63.100 0.171 0.000 0.795 302 P CB 0.658 32.420 31.700 0.103 0.000 1.006 303 D N 0.137 120.634 120.400 0.161 0.000 2.078 303 D HA -0.023 4.617 4.640 -0.000 0.000 0.193 303 D C 0.850 177.218 176.300 0.113 0.000 0.990 303 D CA 1.560 55.635 54.000 0.124 0.000 0.827 303 D CB -0.624 40.229 40.800 0.088 0.000 0.975 303 D HN 0.475 nan 8.370 nan 0.000 0.451 304 F N -0.582 119.426 119.950 0.097 0.000 2.427 304 F HA 0.690 5.217 4.527 -0.000 0.000 0.348 304 F C 1.078 176.916 175.800 0.064 0.000 1.125 304 F CA -0.324 57.720 58.000 0.073 0.000 0.989 304 F CB 0.987 40.018 39.000 0.052 0.000 1.165 304 F HN 1.077 nan 8.300 nan 0.000 0.442 305 G N 0.679 109.516 108.800 0.060 0.000 2.362 305 G HA2 0.446 4.406 3.960 -0.000 0.000 0.517 305 G HA3 0.446 4.406 3.960 -0.000 0.000 0.517 305 G C -0.698 174.178 174.900 -0.039 0.000 1.256 305 G CA 0.341 45.444 45.100 0.005 0.000 1.027 305 G HN 2.339 nan 8.290 nan 0.000 0.491 306 V N -2.139 117.650 119.914 -0.209 0.000 3.096 306 V HA 0.902 5.022 4.120 -0.000 0.000 0.319 306 V C -1.928 173.696 176.094 -0.782 0.000 1.082 306 V CA -1.794 60.147 62.300 -0.599 0.000 1.022 306 V CB 1.217 32.655 31.823 -0.641 0.000 1.103 306 V HN 0.775 nan 8.190 nan 0.000 0.455 307 P HA 0.340 nan 4.420 nan 0.000 0.275 307 P C -0.122 176.759 177.300 -0.699 0.000 1.270 307 P CA -0.079 62.231 63.100 -1.316 0.000 0.791 307 P CB 0.258 31.275 31.700 -1.139 0.000 1.089 308 F N -2.018 117.894 119.950 -0.063 0.000 2.298 308 F HA 0.279 4.806 4.527 -0.000 0.000 0.282 308 F C 1.779 177.580 175.800 0.002 0.000 1.045 308 F CA 0.697 58.663 58.000 -0.056 0.000 1.280 308 F CB -1.703 37.227 39.000 -0.117 0.000 1.114 308 F HN 0.175 nan 8.300 nan 0.000 0.546 309 T N 0.773 115.448 114.554 0.201 0.000 2.912 309 T HA 0.557 4.907 4.350 -0.000 0.000 0.280 309 T C -2.129 172.623 174.700 0.086 0.000 0.989 309 T CA -1.991 60.181 62.100 0.119 0.000 0.995 309 T CB 0.148 69.095 68.868 0.132 0.000 1.077 309 T HN -0.100 nan 8.240 nan 0.000 0.531 310 P HA 0.329 nan 4.420 nan 0.000 0.278 310 P C 1.512 178.847 177.300 0.059 0.000 1.502 310 P CA -0.086 62.989 63.100 -0.042 0.000 1.114 310 P CB -0.683 30.747 31.700 -0.451 0.000 1.541 311 I N 0.508 121.147 120.570 0.115 0.000 2.179 311 I HA -0.078 4.092 4.170 -0.000 0.000 0.242 311 I C 2.387 178.631 176.117 0.212 0.000 1.088 311 I CA 2.488 63.883 61.300 0.159 0.000 1.357 311 I CB -1.946 36.144 38.000 0.150 0.000 1.051 311 I HN 0.153 nan 8.210 nan 0.000 0.409 312 G N -0.678 108.273 108.800 0.251 0.000 2.422 312 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.218 312 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.218 312 G C 1.696 176.878 174.900 0.469 0.000 1.146 312 G CA 1.406 46.729 45.100 0.371 0.000 0.769 312 G HN 0.581 nan 8.290 nan 0.000 0.547 313 M N 0.012 119.801 119.600 0.314 0.000 2.254 313 M HA 0.277 4.757 4.480 -0.000 0.000 0.265 313 M C 2.211 178.629 176.300 0.196 0.000 1.066 313 M CA 0.977 56.377 55.300 0.167 0.000 1.123 313 M CB -0.263 32.384 32.600 0.078 0.000 1.388 313 M HN 0.158 nan 8.290 nan 0.000 0.425 314 L N -0.260 121.051 121.223 0.148 0.000 2.109 314 L HA -0.137 4.203 4.340 -0.000 0.000 0.207 314 L C 2.787 179.738 176.870 0.134 0.000 1.086 314 L CA 1.535 56.428 54.840 0.088 0.000 0.760 314 L CB -1.009 41.105 42.059 0.092 0.000 0.910 314 L HN 0.343 nan 8.230 nan 0.000 0.437 315 K N -0.058 120.472 120.400 0.217 0.000 2.057 315 K HA -0.247 4.073 4.320 -0.000 0.000 0.207 315 K C 1.868 178.581 176.600 0.189 0.000 1.049 315 K CA 1.787 58.212 56.287 0.229 0.000 0.931 315 K CB -1.438 31.245 32.500 0.305 0.000 0.714 315 K HN 0.276 nan 8.250 nan 0.000 0.440 316 F N 0.603 120.591 119.950 0.064 0.000 2.171 316 F HA -0.021 4.506 4.527 0.000 0.000 0.300 316 F C 1.996 177.780 175.800 -0.027 0.000 1.090 316 F CA 1.526 59.452 58.000 -0.124 0.000 1.293 316 F CB -0.111 38.937 39.000 0.080 0.000 1.013 316 F HN 0.149 nan 8.300 nan 0.000 0.486 317 L N 0.514 121.774 121.223 0.063 0.000 2.313 317 L HA -0.032 4.308 4.340 -0.000 0.000 0.214 317 L C 2.533 179.332 176.870 -0.119 0.000 1.119 317 L CA 1.536 56.343 54.840 -0.055 0.000 0.809 317 L CB -0.697 41.280 42.059 -0.136 0.000 0.933 317 L HN 0.146 nan 8.230 nan 0.000 0.449 318 K N -0.160 120.196 120.400 -0.074 0.000 2.167 318 K HA -0.145 4.175 4.320 -0.000 0.000 0.203 318 K C 2.067 178.624 176.600 -0.072 0.000 1.052 318 K CA 1.450 57.706 56.287 -0.051 0.000 0.956 318 K CB -0.449 32.062 32.500 0.018 0.000 0.735 318 K HN 0.216 nan 8.250 nan 0.000 0.451 319 K N 0.371 120.695 120.400 -0.126 0.000 2.148 319 K HA 0.016 4.336 4.320 -0.000 0.000 0.204 319 K C 1.926 178.414 176.600 -0.187 0.000 1.050 319 K CA 1.149 57.350 56.287 -0.143 0.000 0.942 319 K CB -0.381 31.999 32.500 -0.200 0.000 0.724 319 K HN 0.152 nan 8.250 nan 0.000 0.446 320 V N 0.971 120.726 119.914 -0.265 0.000 2.307 320 V HA -0.257 3.863 4.120 -0.000 0.000 0.245 320 V C 2.635 178.679 176.094 -0.083 0.000 1.045 320 V CA 2.473 64.668 62.300 -0.176 0.000 1.024 320 V CB -0.850 30.911 31.823 -0.102 0.000 0.651 320 V HN 0.548 nan 8.190 nan 0.000 0.449 321 K N -0.277 120.080 120.400 -0.072 0.000 2.113 321 K HA -0.272 4.048 4.320 -0.000 0.000 0.208 321 K C 2.144 178.713 176.600 -0.053 0.000 1.047 321 K CA 2.636 58.888 56.287 -0.058 0.000 0.928 321 K CB -1.888 30.575 32.500 -0.061 0.000 0.716 321 K HN 0.686 nan 8.250 nan 0.000 0.446 322 T N 0.631 115.157 114.554 -0.048 0.000 2.777 322 T HA 0.149 4.499 4.350 -0.000 0.000 0.266 322 T C 2.027 176.709 174.700 -0.029 0.000 1.040 322 T CA 1.437 63.520 62.100 -0.029 0.000 1.141 322 T CB -0.207 68.655 68.868 -0.011 0.000 0.868 322 T HN 0.285 nan 8.240 nan 0.000 0.444 323 L N 0.260 121.459 121.223 -0.039 0.000 2.567 323 L HA 0.201 4.541 4.340 -0.000 0.000 0.225 323 L C 0.718 177.564 176.870 -0.041 0.000 1.119 323 L CA -0.269 54.553 54.840 -0.030 0.000 0.871 323 L CB -0.033 42.009 42.059 -0.029 0.000 1.036 323 L HN 0.222 nan 8.230 nan 0.000 0.459 324 N N 1.550 120.215 118.700 -0.058 0.000 2.414 324 N HA 0.220 4.960 4.740 -0.000 0.000 0.256 324 N C -2.334 173.108 175.510 -0.112 0.000 1.029 324 N CA -1.572 51.428 53.050 -0.082 0.000 0.948 324 N CB 0.978 39.415 38.487 -0.083 0.000 1.102 324 N HN -0.121 nan 8.380 nan 0.000 0.496 325 P HA 0.064 nan 4.420 nan 0.000 0.271 325 P C 1.154 178.300 177.300 -0.256 0.000 1.216 325 P CA -0.186 62.779 63.100 -0.225 0.000 0.776 325 P CB 0.615 32.062 31.700 -0.421 0.000 0.881 326 V N 3.468 123.303 119.914 -0.132 0.000 2.380 326 V HA -0.299 3.821 4.120 -0.000 0.000 0.251 326 V C 2.424 178.468 176.094 -0.082 0.000 1.063 326 V CA 2.567 64.819 62.300 -0.079 0.000 1.055 326 V CB -1.693 30.124 31.823 -0.010 0.000 0.657 326 V HN 0.810 nan 8.190 nan 0.000 0.455 327 H N -0.302 118.745 119.070 -0.037 0.000 2.547 327 H HA 0.479 5.035 4.556 -0.000 0.000 0.272 327 H C 1.141 176.439 175.328 -0.050 0.000 0.989 327 H CA 0.638 56.661 56.048 -0.041 0.000 1.214 327 H CB -0.374 29.366 29.762 -0.036 0.000 1.389 327 H HN 0.654 nan 8.280 nan 0.000 0.577 328 A N 1.441 123.978 122.820 -0.472 0.000 2.366 328 A HA 0.423 4.743 4.320 -0.000 0.000 0.250 328 A C 1.202 178.709 177.584 -0.128 0.000 1.099 328 A CA 0.147 52.003 52.037 -0.302 0.000 0.794 328 A CB -0.295 18.508 19.000 -0.328 0.000 1.056 328 A HN 0.557 nan 8.150 nan 0.000 0.499 329 G N -0.652 108.093 108.800 -0.091 0.000 2.516 329 G HA2 0.485 4.445 3.960 -0.000 0.000 0.276 329 G HA3 0.485 4.445 3.960 -0.000 0.000 0.276 329 G C -2.345 172.512 174.900 -0.072 0.000 1.390 329 G CA -0.796 44.264 45.100 -0.066 0.000 1.050 329 G HN 0.663 nan 8.290 nan 0.000 0.519 330 P HA 0.206 nan 4.420 nan 0.000 0.272 330 P C -0.269 177.012 177.300 -0.030 0.000 1.223 330 P CA -0.053 63.026 63.100 -0.035 0.000 0.784 330 P CB 1.006 32.750 31.700 0.074 0.000 0.923 331 I N 1.740 122.283 120.570 -0.045 0.000 2.396 331 I HA 0.068 4.238 4.170 -0.000 0.000 0.289 331 I C 0.464 176.661 176.117 0.133 0.000 1.056 331 I CA -0.695 60.633 61.300 0.045 0.000 1.365 331 I CB 0.772 38.830 38.000 0.097 0.000 1.407 331 I HN 0.009 nan 8.210 nan 0.000 0.509 332 V N 8.087 128.045 119.914 0.074 0.000 2.405 332 V HA 0.113 4.233 4.120 -0.000 0.000 0.264 332 V C 0.258 176.417 176.094 0.108 0.000 1.048 332 V CA -0.281 62.061 62.300 0.069 0.000 0.966 332 V CB 0.959 32.772 31.823 -0.016 0.000 1.015 332 V HN 0.402 nan 8.190 nan 0.000 0.477 333 V N 6.151 126.125 119.914 0.101 0.000 2.417 333 V HA 0.583 4.703 4.120 -0.000 0.000 0.291 333 V C -0.361 175.742 176.094 0.015 0.000 1.024 333 V CA -0.607 61.681 62.300 -0.020 0.000 0.861 333 V CB 1.420 33.201 31.823 -0.070 0.000 0.985 333 V HN 1.144 nan 8.190 nan 0.000 0.436 334 H N 2.322 121.336 119.070 -0.094 0.000 2.961 334 H HA 0.824 5.380 4.556 -0.000 0.000 0.371 334 H C -0.121 175.124 175.328 -0.140 0.000 1.190 334 H CA -0.326 55.660 56.048 -0.103 0.000 1.138 334 H CB 1.525 31.227 29.762 -0.100 0.000 1.816 334 H HN 0.679 nan 8.280 nan 0.000 0.551 335 C N 0.777 120.073 119.300 -0.007 0.000 3.590 335 C HA 0.910 5.370 4.460 -0.000 0.000 0.095 335 C C 2.077 177.099 174.990 0.054 0.000 2.497 335 C CA 0.792 59.763 59.018 -0.079 0.000 1.680 335 C CB 0.740 28.353 27.740 -0.213 0.000 2.950 335 C HN 0.958 nan 8.230 nan 0.000 0.418 336 S N 0.198 115.907 115.700 0.015 0.000 2.694 336 S HA 0.611 5.081 4.470 -0.000 0.000 0.225 336 S C 1.917 176.632 174.600 0.192 0.000 1.012 336 S CA 1.156 59.424 58.200 0.113 0.000 0.896 336 S CB -0.933 62.352 63.200 0.142 0.000 0.838 336 S HN 1.264 nan 8.310 nan 0.000 0.604 337 A N -0.120 122.766 122.820 0.110 0.000 2.132 337 A HA 0.477 4.797 4.320 -0.000 0.000 0.213 337 A C 1.883 179.499 177.584 0.054 0.000 1.154 337 A CA 1.242 53.346 52.037 0.111 0.000 0.753 337 A CB -0.698 18.197 19.000 -0.176 0.000 0.826 337 A HN 1.849 nan 8.150 nan 0.000 0.469 338 G N -1.452 107.351 108.800 0.005 0.000 2.143 338 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.249 338 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.249 338 G C 0.234 175.117 174.900 -0.028 0.000 0.981 338 G CA 0.675 45.772 45.100 -0.006 0.000 0.665 338 G HN 1.882 nan 8.290 nan 0.000 0.528 339 V N -4.032 115.852 119.914 -0.050 0.000 2.808 339 V HA 0.995 5.115 4.120 -0.000 0.000 0.308 339 V C 0.747 176.791 176.094 -0.084 0.000 1.099 339 V CA 0.563 62.831 62.300 -0.053 0.000 0.920 339 V CB 1.391 33.194 31.823 -0.033 0.000 1.014 339 V HN 2.130 nan 8.190 nan 0.000 0.425 340 G N 4.520 113.274 108.800 -0.076 0.000 1.829 340 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.214 340 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.214 340 G C 0.632 175.439 174.900 -0.156 0.000 1.627 340 G CA 0.302 45.343 45.100 -0.100 0.000 1.390 340 G HN 0.823 nan 8.290 nan 0.000 0.458 341 R N 0.130 120.430 120.500 -0.333 0.000 2.070 341 R HA 0.092 4.432 4.340 -0.000 0.000 0.233 341 R C 2.860 178.996 176.300 -0.274 0.000 1.137 341 R CA 2.228 57.995 56.100 -0.554 0.000 0.945 341 R CB -0.938 28.739 30.300 -1.038 0.000 0.845 341 R HN 0.501 nan 8.270 nan 0.000 0.430 342 T N -0.416 113.998 114.554 -0.232 0.000 2.737 342 T HA -0.159 4.191 4.350 -0.000 0.000 0.269 342 T C 1.800 176.475 174.700 -0.043 0.000 1.040 342 T CA 1.709 63.725 62.100 -0.139 0.000 1.142 342 T CB -0.441 68.354 68.868 -0.123 0.000 0.861 342 T HN 0.528 nan 8.240 nan 0.000 0.456 343 G N -0.271 108.505 108.800 -0.040 0.000 2.404 343 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.214 343 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.214 343 G C 1.871 176.799 174.900 0.047 0.000 1.189 343 G CA 1.572 46.672 45.100 0.001 0.000 0.789 343 G HN 0.610 nan 8.290 nan 0.000 0.533 344 T N 0.453 115.049 114.554 0.070 0.000 2.737 344 T HA -0.131 4.219 4.350 -0.000 0.000 0.269 344 T C 2.002 176.778 174.700 0.126 0.000 1.040 344 T CA 1.605 63.782 62.100 0.128 0.000 1.142 344 T CB -0.401 68.600 68.868 0.222 0.000 0.861 344 T HN 0.182 nan 8.240 nan 0.000 0.456 345 F N 1.114 121.046 119.950 -0.029 0.000 2.084 345 F HA 0.039 4.566 4.527 -0.000 0.000 0.296 345 F C 2.138 177.845 175.800 -0.155 0.000 1.111 345 F CA 1.046 59.011 58.000 -0.059 0.000 1.224 345 F CB -0.153 38.799 39.000 -0.079 0.000 0.991 345 F HN 0.212 nan 8.300 nan 0.000 0.471 346 I N -0.398 120.122 120.570 -0.083 0.000 2.208 346 I HA -0.314 3.856 4.170 -0.000 0.000 0.245 346 I C 2.252 178.268 176.117 -0.169 0.000 1.097 346 I CA 1.244 62.313 61.300 -0.386 0.000 1.363 346 I CB -0.588 37.177 38.000 -0.391 0.000 1.051 346 I HN 0.029 nan 8.210 nan 0.000 0.413 347 V N 1.023 120.930 119.914 -0.012 0.000 2.295 347 V HA -0.291 3.829 4.120 -0.000 0.000 0.246 347 V C 2.308 178.272 176.094 -0.217 0.000 1.049 347 V CA 1.917 64.225 62.300 0.013 0.000 1.024 347 V CB -0.442 31.433 31.823 0.087 0.000 0.648 347 V HN 0.340 nan 8.190 nan 0.000 0.447 348 I N 0.786 121.217 120.570 -0.231 0.000 2.264 348 I HA -0.270 3.900 4.170 -0.000 0.000 0.248 348 I C 2.614 178.512 176.117 -0.364 0.000 1.111 348 I CA 1.931 63.053 61.300 -0.297 0.000 1.382 348 I CB -0.935 36.909 38.000 -0.261 0.000 1.060 348 I HN 0.533 nan 8.210 nan 0.000 0.418 349 D N 0.867 121.025 120.400 -0.404 0.000 2.078 349 D HA -0.103 4.537 4.640 -0.000 0.000 0.193 349 D C 2.320 178.473 176.300 -0.246 0.000 0.990 349 D CA 1.523 55.331 54.000 -0.319 0.000 0.827 349 D CB -0.642 40.026 40.800 -0.219 0.000 0.975 349 D HN 0.427 nan 8.370 nan 0.000 0.451 350 A N -0.153 122.514 122.820 -0.255 0.000 1.903 350 A HA -0.146 4.174 4.320 -0.000 0.000 0.219 350 A C 2.308 179.620 177.584 -0.455 0.000 1.191 350 A CA 2.717 54.529 52.037 -0.376 0.000 0.638 350 A CB -0.487 17.917 19.000 -0.993 0.000 0.823 350 A HN 0.461 nan 8.150 nan 0.000 0.451 351 M N -1.443 117.876 119.600 -0.467 0.000 2.254 351 M HA 0.047 4.527 4.480 -0.000 0.000 0.265 351 M C 2.243 178.347 176.300 -0.326 0.000 1.066 351 M CA 1.158 56.215 55.300 -0.405 0.000 1.123 351 M CB -1.175 31.206 32.600 -0.364 0.000 1.388 351 M HN 0.464 nan 8.290 nan 0.000 0.425 352 M N -0.236 119.176 119.600 -0.312 0.000 2.117 352 M HA -0.166 4.314 4.480 -0.000 0.000 0.262 352 M C 2.347 178.558 176.300 -0.148 0.000 1.065 352 M CA 1.838 56.987 55.300 -0.252 0.000 1.114 352 M CB -0.578 31.744 32.600 -0.463 0.000 1.361 352 M HN 0.301 nan 8.290 nan 0.000 0.408 353 A N 0.181 122.857 122.820 -0.239 0.000 1.873 353 A HA -0.257 4.063 4.320 -0.000 0.000 0.218 353 A C 2.206 179.448 177.584 -0.570 0.000 1.193 353 A CA 2.068 53.939 52.037 -0.277 0.000 0.629 353 A CB -0.796 18.081 19.000 -0.205 0.000 0.826 353 A HN 0.561 nan 8.150 nan 0.000 0.447 354 M N -1.194 117.873 119.600 -0.889 0.000 2.117 354 M HA -0.175 4.305 4.480 -0.000 0.000 0.262 354 M C 2.252 178.315 176.300 -0.395 0.000 1.065 354 M CA 1.919 56.644 55.300 -0.957 0.000 1.114 354 M CB -0.247 31.962 32.600 -0.652 0.000 1.361 354 M HN 0.500 nan 8.290 nan 0.000 0.408 355 M N -1.339 118.112 119.600 -0.249 0.000 2.065 355 M HA -0.271 4.209 4.480 -0.000 0.000 0.259 355 M C 1.826 178.062 176.300 -0.106 0.000 1.069 355 M CA 1.851 57.064 55.300 -0.143 0.000 1.110 355 M CB -0.920 31.637 32.600 -0.071 0.000 1.328 355 M HN 0.336 nan 8.290 nan 0.000 0.405 356 H N -0.801 118.227 119.070 -0.069 0.000 2.567 356 H HA 0.034 4.590 4.556 -0.000 0.000 0.276 356 H C 1.466 176.771 175.328 -0.038 0.000 1.016 356 H CA 0.801 56.835 56.048 -0.024 0.000 1.186 356 H CB 0.262 30.030 29.762 0.010 0.000 1.351 356 H HN 0.405 nan 8.280 nan 0.000 0.605 357 A N -0.477 122.356 122.820 0.022 0.000 1.989 357 A HA 0.203 4.523 4.320 -0.000 0.000 0.201 357 A C 2.012 179.617 177.584 0.035 0.000 1.720 357 A CA 0.548 52.615 52.037 0.050 0.000 0.956 357 A CB -0.400 18.658 19.000 0.095 0.000 1.094 357 A HN 0.390 nan 8.150 nan 0.000 0.561 358 E N -1.940 118.255 120.200 -0.008 0.000 2.385 358 E HA 0.306 4.656 4.350 -0.000 0.000 0.194 358 E C 1.296 177.888 176.600 -0.014 0.000 1.013 358 E CA 2.011 58.422 56.400 0.018 0.000 0.866 358 E CB -1.039 28.688 29.700 0.045 0.000 0.832 358 E HN 1.882 nan 8.360 nan 0.000 0.500 359 Q N -2.811 116.958 119.800 -0.051 0.000 2.452 359 Q HA -0.070 4.270 4.340 -0.000 0.000 0.248 359 Q C 0.796 176.744 176.000 -0.087 0.000 0.874 359 Q CA 2.737 58.496 55.803 -0.074 0.000 1.208 359 Q CB -2.997 25.713 28.738 -0.048 0.000 1.569 359 Q HN 1.921 nan 8.270 nan 0.000 0.579 360 K N -1.269 119.089 120.400 -0.070 0.000 2.482 360 K HA 0.992 5.311 4.320 -0.000 0.000 0.257 360 K C -0.521 176.041 176.600 -0.063 0.000 0.969 360 K CA -0.072 56.188 56.287 -0.045 0.000 0.842 360 K CB 2.069 34.578 32.500 0.015 0.000 1.359 360 K HN 1.573 nan 8.250 nan 0.000 0.441 361 V N 1.672 121.563 119.914 -0.039 0.000 2.623 361 V HA 0.541 4.661 4.120 -0.000 0.000 0.304 361 V C -1.786 174.318 176.094 0.016 0.000 1.054 361 V CA -0.479 61.782 62.300 -0.065 0.000 0.882 361 V CB 1.835 33.583 31.823 -0.125 0.000 1.002 361 V HN 0.969 nan 8.190 nan 0.000 0.424 362 D N 4.840 125.260 120.400 0.033 0.000 2.441 362 D HA 0.274 4.914 4.640 -0.000 0.000 0.287 362 D C 0.805 177.193 176.300 0.146 0.000 1.198 362 D CA -0.081 54.005 54.000 0.143 0.000 0.894 362 D CB 1.637 42.561 40.800 0.208 0.000 1.070 362 D HN 0.303 nan 8.370 nan 0.000 0.499 363 V N 2.442 122.389 119.914 0.055 0.000 2.490 363 V HA -0.172 3.948 4.120 -0.000 0.000 0.250 363 V C 2.022 178.270 176.094 0.256 0.000 1.061 363 V CA 1.250 63.545 62.300 -0.007 0.000 1.064 363 V CB -0.648 30.908 31.823 -0.446 0.000 0.670 363 V HN 0.467 nan 8.190 nan 0.000 0.461 364 F N 1.928 122.016 119.950 0.229 0.000 2.128 364 F HA -0.056 4.471 4.527 -0.000 0.000 0.295 364 F C 2.503 178.420 175.800 0.195 0.000 1.100 364 F CA 1.782 59.929 58.000 0.245 0.000 1.260 364 F CB -0.408 38.680 39.000 0.146 0.000 1.009 364 F HN 0.209 nan 8.300 nan 0.000 0.476 365 E N -0.130 120.322 120.200 0.419 0.000 2.333 365 E HA -0.207 4.143 4.350 -0.000 0.000 0.198 365 E C 1.640 178.361 176.600 0.203 0.000 1.007 365 E CA 1.390 57.965 56.400 0.292 0.000 0.845 365 E CB -1.417 28.473 29.700 0.316 0.000 0.766 365 E HN 0.599 nan 8.360 nan 0.000 0.507 366 F N -0.237 119.749 119.950 0.059 0.000 2.243 366 F HA 0.072 4.599 4.527 -0.000 0.000 0.287 366 F C 2.419 178.210 175.800 -0.015 0.000 1.067 366 F CA 0.912 58.931 58.000 0.032 0.000 1.304 366 F CB 0.036 39.061 39.000 0.043 0.000 1.087 366 F HN 0.057 nan 8.300 nan 0.000 0.513 367 V N 0.521 120.467 119.914 0.055 0.000 2.332 367 V HA -0.334 3.786 4.120 -0.000 0.000 0.248 367 V C 2.888 178.850 176.094 -0.221 0.000 1.055 367 V CA 2.236 64.498 62.300 -0.063 0.000 1.038 367 V CB -1.780 30.105 31.823 0.103 0.000 0.651 367 V HN 0.560 nan 8.190 nan 0.000 0.450 368 S N 0.201 115.724 115.700 -0.296 0.000 2.370 368 S HA -0.304 4.166 4.470 -0.000 0.000 0.226 368 S C 2.302 176.773 174.600 -0.215 0.000 1.033 368 S CA 2.886 60.903 58.200 -0.305 0.000 1.011 368 S CB -0.600 62.389 63.200 -0.351 0.000 0.852 368 S HN 0.577 nan 8.310 nan 0.000 0.457 369 R N 1.389 121.756 120.500 -0.221 0.000 2.070 369 R HA 0.134 4.474 4.340 -0.000 0.000 0.233 369 R C 2.347 178.483 176.300 -0.273 0.000 1.137 369 R CA 1.658 57.624 56.100 -0.223 0.000 0.945 369 R CB -1.767 28.396 30.300 -0.229 0.000 0.845 369 R HN 1.126 nan 8.270 nan 0.000 0.430 370 I N -1.732 118.586 120.570 -0.420 0.000 2.614 370 I HA -0.083 4.087 4.170 -0.000 0.000 0.258 370 I C 2.247 178.250 176.117 -0.189 0.000 1.189 370 I CA 1.305 62.405 61.300 -0.333 0.000 1.462 370 I CB -0.187 37.564 38.000 -0.414 0.000 1.092 370 I HN 0.179 nan 8.210 nan 0.000 0.442 371 R N 1.486 121.875 120.500 -0.184 0.000 2.148 371 R HA -0.064 4.276 4.340 -0.000 0.000 0.223 371 R C 2.297 178.527 176.300 -0.118 0.000 1.088 371 R CA 1.407 57.420 56.100 -0.145 0.000 0.985 371 R CB -0.830 29.370 30.300 -0.165 0.000 0.880 371 R HN 0.730 nan 8.270 nan 0.000 0.451 372 N N 1.108 119.740 118.700 -0.113 0.000 2.571 372 N HA -0.128 4.612 4.740 -0.000 0.000 0.189 372 N C 1.446 176.919 175.510 -0.062 0.000 1.154 372 N CA 0.672 53.672 53.050 -0.083 0.000 0.907 372 N CB -0.147 38.290 38.487 -0.084 0.000 0.977 372 N HN 0.449 nan 8.380 nan 0.000 0.449 373 Q N -1.563 118.203 119.800 -0.056 0.000 2.394 373 Q HA 0.185 4.525 4.340 -0.000 0.000 0.218 373 Q C 0.464 176.456 176.000 -0.013 0.000 0.907 373 Q CA 0.091 55.886 55.803 -0.012 0.000 0.919 373 Q CB 0.890 29.632 28.738 0.006 0.000 1.051 373 Q HN 0.470 nan 8.270 nan 0.000 0.538 374 R N 1.429 121.910 120.500 -0.031 0.000 2.549 374 R HA 0.265 4.605 4.340 -0.000 0.000 0.291 374 R C -2.949 173.326 176.300 -0.042 0.000 1.164 374 R CA -1.818 54.275 56.100 -0.011 0.000 0.973 374 R CB 1.722 32.017 30.300 -0.008 0.000 1.210 374 R HN -0.119 nan 8.270 nan 0.000 0.422 375 P HA 0.025 nan 4.420 nan 0.000 0.271 375 P C -0.884 176.329 177.300 -0.144 0.000 1.218 375 P CA 0.451 63.429 63.100 -0.204 0.000 0.780 375 P CB 0.763 32.153 31.700 -0.517 0.000 0.901 376 Q N -0.802 118.905 119.800 -0.156 0.000 2.506 376 Q HA -0.200 4.140 4.340 -0.000 0.000 0.268 376 Q C 1.029 177.012 176.000 -0.028 0.000 1.002 376 Q CA 0.163 55.923 55.803 -0.072 0.000 1.052 376 Q CB -1.807 26.915 28.738 -0.027 0.000 1.383 376 Q HN 0.373 nan 8.270 nan 0.000 0.537 377 M N -0.302 119.274 119.600 -0.040 0.000 2.082 377 M HA -0.085 4.395 4.480 -0.000 0.000 0.258 377 M C 0.896 177.214 176.300 0.030 0.000 1.071 377 M CA 1.619 56.909 55.300 -0.017 0.000 1.103 377 M CB -0.335 32.241 32.600 -0.039 0.000 1.307 377 M HN 0.201 nan 8.290 nan 0.000 0.409 378 V N 0.911 120.886 119.914 0.100 0.000 2.465 378 V HA 0.074 4.194 4.120 -0.000 0.000 0.279 378 V C 1.136 177.370 176.094 0.233 0.000 1.045 378 V CA -0.329 62.077 62.300 0.176 0.000 0.938 378 V CB 1.649 33.655 31.823 0.306 0.000 0.986 378 V HN 0.384 nan 8.190 nan 0.000 0.467 379 Q N 2.439 122.318 119.800 0.132 0.000 2.274 379 Q HA 0.192 4.532 4.340 -0.000 0.000 0.198 379 Q C 1.125 177.207 176.000 0.136 0.000 0.955 379 Q CA 1.178 57.056 55.803 0.125 0.000 0.859 379 Q CB 0.242 28.986 28.738 0.010 0.000 0.956 379 Q HN 0.981 nan 8.270 nan 0.000 0.516 380 T N -0.353 114.174 114.554 -0.046 0.000 2.918 380 T HA 0.375 4.725 4.350 -0.000 0.000 0.283 380 T C 0.850 175.154 174.700 -0.661 0.000 1.001 380 T CA 0.293 62.287 62.100 -0.176 0.000 1.041 380 T CB 0.338 69.144 68.868 -0.104 0.000 1.028 380 T HN 0.220 nan 8.240 nan 0.000 0.511 381 D N 0.677 120.653 120.400 -0.706 0.000 2.123 381 D HA 0.058 4.698 4.640 -0.000 0.000 0.196 381 D C 2.573 178.649 176.300 -0.374 0.000 0.992 381 D CA 3.588 57.104 54.000 -0.807 0.000 0.833 381 D CB -1.019 39.622 40.800 -0.266 0.000 0.954 381 D HN 0.934 nan 8.370 nan 0.000 0.455 382 M N -0.107 119.374 119.600 -0.199 0.000 2.149 382 M HA -0.147 4.333 4.480 -0.000 0.000 0.261 382 M C 2.283 178.550 176.300 -0.055 0.000 1.064 382 M CA 2.618 57.865 55.300 -0.088 0.000 1.102 382 M CB -1.465 31.103 32.600 -0.054 0.000 1.369 382 M HN 0.570 nan 8.290 nan 0.000 0.408 383 Q N -1.665 118.089 119.800 -0.077 0.000 2.167 383 Q HA -0.135 4.205 4.340 -0.000 0.000 0.202 383 Q C 2.039 178.081 176.000 0.070 0.000 0.970 383 Q CA 1.713 57.528 55.803 0.020 0.000 0.855 383 Q CB -0.381 28.374 28.738 0.029 0.000 0.911 383 Q HN 0.904 nan 8.270 nan 0.000 0.438 384 Y N 1.257 121.442 120.300 -0.191 0.000 2.133 384 Y HA -0.236 4.314 4.550 -0.000 0.000 0.287 384 Y C 2.775 178.595 175.900 -0.133 0.000 1.134 384 Y CA 2.095 60.118 58.100 -0.128 0.000 1.133 384 Y CB -0.677 37.665 38.460 -0.196 0.000 0.987 384 Y HN 0.233 nan 8.280 nan 0.000 0.502 385 T N -0.787 113.673 114.554 -0.157 0.000 2.803 385 T HA -0.297 4.053 4.350 -0.000 0.000 0.269 385 T C 1.764 176.394 174.700 -0.117 0.000 1.052 385 T CA 1.734 63.623 62.100 -0.352 0.000 1.136 385 T CB -1.061 67.686 68.868 -0.201 0.000 0.864 385 T HN 0.397 nan 8.240 nan 0.000 0.467 386 F N 0.977 120.831 119.950 -0.160 0.000 2.206 386 F HA 0.122 4.649 4.527 -0.000 0.000 0.298 386 F C 2.040 177.759 175.800 -0.135 0.000 1.090 386 F CA 0.427 58.348 58.000 -0.133 0.000 1.323 386 F CB -0.076 38.843 39.000 -0.136 0.000 1.028 386 F HN 0.213 nan 8.300 nan 0.000 0.492 387 I N -0.762 119.783 120.570 -0.041 0.000 2.208 387 I HA -0.373 3.797 4.170 -0.000 0.000 0.245 387 I C 1.988 177.903 176.117 -0.336 0.000 1.097 387 I CA 1.604 62.772 61.300 -0.220 0.000 1.363 387 I CB -0.654 37.157 38.000 -0.316 0.000 1.051 387 I HN 0.142 nan 8.210 nan 0.000 0.413 388 Y N 0.915 121.012 120.300 -0.338 0.000 2.163 388 Y HA -0.245 4.305 4.550 -0.000 0.000 0.288 388 Y C 2.791 178.576 175.900 -0.192 0.000 1.136 388 Y CA 1.461 59.409 58.100 -0.252 0.000 1.147 388 Y CB -0.437 37.854 38.460 -0.281 0.000 0.987 388 Y HN 0.160 nan 8.280 nan 0.000 0.509 389 Q N -0.458 119.290 119.800 -0.086 0.000 2.061 389 Q HA -0.241 4.099 4.340 -0.000 0.000 0.204 389 Q C 2.567 178.444 176.000 -0.206 0.000 0.984 389 Q CA 1.539 57.262 55.803 -0.134 0.000 0.846 389 Q CB -0.426 28.189 28.738 -0.205 0.000 0.902 389 Q HN 0.531 nan 8.270 nan 0.000 0.421 390 A N 0.886 123.461 122.820 -0.408 0.000 1.883 390 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 390 A C 2.093 179.601 177.584 -0.127 0.000 1.186 390 A CA 1.255 53.088 52.037 -0.340 0.000 0.624 390 A CB -0.811 17.900 19.000 -0.481 0.000 0.822 390 A HN 0.307 nan 8.150 nan 0.000 0.444 391 L N -1.194 119.946 121.223 -0.139 0.000 2.042 391 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 391 L C 2.593 179.499 176.870 0.060 0.000 1.076 391 L CA 1.349 56.160 54.840 -0.048 0.000 0.749 391 L CB -0.507 41.462 42.059 -0.150 0.000 0.893 391 L HN 0.495 nan 8.230 nan 0.000 0.432 392 L N 0.180 121.428 121.223 0.042 0.000 2.005 392 L HA -0.219 4.121 4.340 -0.000 0.000 0.207 392 L C 2.468 179.375 176.870 0.063 0.000 1.072 392 L CA 1.895 56.782 54.840 0.078 0.000 0.744 392 L CB -0.567 41.534 42.059 0.071 0.000 0.895 392 L HN 0.192 nan 8.230 nan 0.000 0.433 393 E N -1.055 119.183 120.200 0.065 0.000 2.086 393 E HA -0.364 3.986 4.350 -0.000 0.000 0.200 393 E C 2.185 178.873 176.600 0.146 0.000 1.012 393 E CA 2.094 58.575 56.400 0.135 0.000 0.812 393 E CB -0.688 29.099 29.700 0.145 0.000 0.743 393 E HN 0.620 nan 8.360 nan 0.000 0.453 394 Y N -0.660 119.656 120.300 0.027 0.000 2.497 394 Y HA -0.133 4.417 4.550 -0.000 0.000 0.292 394 Y C 1.703 177.619 175.900 0.028 0.000 1.137 394 Y CA 1.408 59.526 58.100 0.029 0.000 1.285 394 Y CB -0.227 38.231 38.460 -0.003 0.000 0.991 394 Y HN 0.272 nan 8.280 nan 0.000 0.556 395 Y N -0.764 119.407 120.300 -0.215 0.000 2.222 395 Y HA 0.032 4.582 4.550 -0.000 0.000 0.290 395 Y C 2.511 178.212 175.900 -0.332 0.000 1.123 395 Y CA 2.025 59.940 58.100 -0.309 0.000 1.120 395 Y CB -0.890 37.457 38.460 -0.188 0.000 1.060 395 Y HN -0.049 nan 8.280 nan 0.000 0.508 396 L N -0.383 120.540 121.223 -0.501 0.000 2.013 396 L HA -0.195 4.145 4.340 -0.000 0.000 0.212 396 L C 2.099 178.501 176.870 -0.780 0.000 1.073 396 L CA 2.924 57.289 54.840 -0.791 0.000 0.753 396 L CB -2.098 39.418 42.059 -0.905 0.000 0.890 396 L HN 0.628 nan 8.230 nan 0.000 0.432 397 Y N -1.299 118.871 120.300 -0.216 0.000 2.558 397 Y HA 0.418 4.968 4.550 -0.000 0.000 0.273 397 Y C 2.247 178.024 175.900 -0.205 0.000 1.100 397 Y CA 0.051 58.016 58.100 -0.225 0.000 1.276 397 Y CB -0.407 38.007 38.460 -0.077 0.000 1.196 397 Y HN 0.425 nan 8.280 nan 0.000 0.527 398 G N 1.687 110.430 108.800 -0.096 0.000 2.990 398 G HA2 -0.514 3.446 3.960 -0.000 0.000 0.359 398 G HA3 -0.514 3.446 3.960 -0.000 0.000 0.359 398 G C 0.475 175.330 174.900 -0.075 0.000 0.951 398 G CA 1.207 46.157 45.100 -0.250 0.000 0.794 398 G HN 0.502 nan 8.290 nan 0.000 0.982 399 D N 0.124 120.452 120.400 -0.120 0.000 2.435 399 D HA 0.515 5.155 4.640 -0.000 0.000 0.230 399 D C 1.369 177.666 176.300 -0.004 0.000 1.215 399 D CA 1.007 54.995 54.000 -0.020 0.000 0.947 399 D CB -0.489 40.300 40.800 -0.019 0.000 1.048 399 D HN 1.099 nan 8.370 nan 0.000 0.512 400 T N -3.483 111.099 114.554 0.047 0.000 3.058 400 T HA 0.470 4.820 4.350 -0.000 0.000 0.278 400 T C 0.923 175.688 174.700 0.109 0.000 0.974 400 T CA 0.754 62.900 62.100 0.075 0.000 0.893 400 T CB -0.013 68.909 68.868 0.090 0.000 1.138 400 T HN 0.749 nan 8.240 nan 0.000 0.529 401 E N 0.557 120.819 120.200 0.103 0.000 2.390 401 E HA 0.735 5.085 4.350 -0.000 0.000 0.261 401 E C -0.169 176.477 176.600 0.077 0.000 1.076 401 E CA 0.015 56.472 56.400 0.095 0.000 0.905 401 E CB 0.276 30.038 29.700 0.103 0.000 0.984 401 E HN 1.371 nan 8.360 nan 0.000 0.427 402 L N -0.842 120.421 121.223 0.067 0.000 2.469 402 L HA 0.876 5.216 4.340 -0.000 0.000 0.256 402 L C -0.011 176.886 176.870 0.046 0.000 1.006 402 L CA -0.457 54.416 54.840 0.056 0.000 0.832 402 L CB 1.053 43.148 42.059 0.060 0.000 1.421 402 L HN 1.169 nan 8.230 nan 0.000 0.410 403 D N -0.407 120.016 120.400 0.039 0.000 2.225 403 D HA 0.730 5.370 4.640 -0.000 0.000 0.249 403 D C 1.331 177.648 176.300 0.029 0.000 1.052 403 D CA 0.302 54.322 54.000 0.033 0.000 0.909 403 D CB 1.748 42.565 40.800 0.028 0.000 1.186 403 D HN 2.248 nan 8.370 nan 0.000 0.431 404 V N 0.265 120.196 119.914 0.027 0.000 2.688 404 V HA 0.088 4.208 4.120 -0.000 0.000 0.256 404 V C 2.822 178.924 176.094 0.014 0.000 1.084 404 V CA 3.397 65.713 62.300 0.025 0.000 1.103 404 V CB -1.341 30.498 31.823 0.026 0.000 0.688 404 V HN 0.953 nan 8.190 nan 0.000 0.480 405 S N 0.533 116.240 115.700 0.013 0.000 2.353 405 S HA 0.083 4.553 4.470 -0.000 0.000 0.222 405 S C 1.792 176.398 174.600 0.009 0.000 1.035 405 S CA 1.835 60.039 58.200 0.008 0.000 1.025 405 S CB -0.787 62.419 63.200 0.009 0.000 0.902 405 S HN 1.448 nan 8.310 nan 0.000 0.440 426 L N 2.645 123.879 121.223 0.017 0.000 2.127 426 L HA 0.134 4.474 4.340 -0.000 0.000 0.211 426 L C 3.201 180.192 176.870 0.201 0.000 1.089 426 L CA 2.894 57.817 54.840 0.138 0.000 0.757 426 L CB -1.142 40.964 42.059 0.078 0.000 0.899 426 L HN 0.566 nan 8.230 nan 0.000 0.434 427 E N 0.102 120.374 120.200 0.119 0.000 2.049 427 E HA -0.297 4.053 4.350 -0.000 0.000 0.198 427 E C 2.204 178.887 176.600 0.139 0.000 1.007 427 E CA 2.094 58.566 56.400 0.121 0.000 0.809 427 E CB -1.197 28.546 29.700 0.072 0.000 0.749 427 E HN 0.631 nan 8.360 nan 0.000 0.450 428 E N 1.071 121.326 120.200 0.091 0.000 2.058 428 E HA -0.276 4.074 4.350 -0.000 0.000 0.194 428 E C 2.022 178.670 176.600 0.081 0.000 0.997 428 E CA 1.574 58.014 56.400 0.068 0.000 0.801 428 E CB -0.710 29.006 29.700 0.027 0.000 0.746 428 E HN 0.825 nan 8.360 nan 0.000 0.450 429 E N -1.024 119.236 120.200 0.100 0.000 2.023 429 E HA -0.112 4.238 4.350 -0.000 0.000 0.196 429 E C 2.023 178.712 176.600 0.149 0.000 1.003 429 E CA 1.242 57.711 56.400 0.116 0.000 0.809 429 E CB -0.366 29.475 29.700 0.235 0.000 0.755 429 E HN 0.549 nan 8.360 nan 0.000 0.449 430 F N 1.653 121.539 119.950 -0.108 0.000 2.115 430 F HA -0.337 4.190 4.527 -0.000 0.000 0.300 430 F C 2.718 178.464 175.800 -0.089 0.000 1.092 430 F CA 2.576 60.406 58.000 -0.283 0.000 1.245 430 F CB -0.600 38.231 39.000 -0.280 0.000 0.995 430 F HN -0.083 nan 8.300 nan 0.000 0.481 431 R N 0.530 121.043 120.500 0.021 0.000 2.103 431 R HA -0.223 4.117 4.340 -0.000 0.000 0.242 431 R C 2.173 178.433 176.300 -0.067 0.000 1.142 431 R CA 2.241 58.326 56.100 -0.026 0.000 0.960 431 R CB -1.530 28.805 30.300 0.060 0.000 0.858 431 R HN 0.524 nan 8.270 nan 0.000 0.439 432 K N 0.184 120.596 120.400 0.021 0.000 2.025 432 K HA 0.077 4.397 4.320 -0.000 0.000 0.207 432 K C 2.352 178.956 176.600 0.006 0.000 1.049 432 K CA 1.418 57.769 56.287 0.106 0.000 0.933 432 K CB -0.302 32.364 32.500 0.277 0.000 0.714 432 K HN 0.312 nan 8.250 nan 0.000 0.438 433 L N 0.731 121.887 121.223 -0.112 0.000 1.990 433 L HA -0.253 4.087 4.340 -0.000 0.000 0.213 433 L C 2.495 179.172 176.870 -0.321 0.000 1.072 433 L CA 1.475 56.116 54.840 -0.331 0.000 0.755 433 L CB -0.809 40.947 42.059 -0.503 0.000 0.889 433 L HN 0.259 nan 8.230 nan 0.000 0.432 434 T N -0.560 113.731 114.554 -0.437 0.000 2.759 434 T HA -0.188 4.162 4.350 -0.000 0.000 0.269 434 T C 1.524 176.139 174.700 -0.142 0.000 1.042 434 T CA 1.493 63.401 62.100 -0.319 0.000 1.140 434 T CB -0.382 68.266 68.868 -0.366 0.000 0.864 434 T HN 0.423 nan 8.240 nan 0.000 0.455 435 N N 0.696 119.339 118.700 -0.096 0.000 2.550 435 N HA 0.058 4.798 4.740 -0.000 0.000 0.186 435 N C 0.718 176.217 175.510 -0.020 0.000 1.110 435 N CA -0.191 52.842 53.050 -0.028 0.000 0.912 435 N CB -0.119 38.375 38.487 0.012 0.000 0.968 435 N HN 0.360 nan 8.380 nan 0.000 0.448 436 V N 2.047 121.929 119.914 -0.054 0.000 2.458 436 V HA 0.280 4.400 4.120 -0.000 0.000 0.287 436 V C 1.052 177.124 176.094 -0.037 0.000 1.009 436 V CA 0.071 62.343 62.300 -0.046 0.000 1.091 436 V CB -0.807 30.961 31.823 -0.093 0.000 0.960 436 V HN 0.323 nan 8.190 nan 0.000 0.476 437 R N 4.937 125.431 120.500 -0.010 0.000 2.698 437 R HA 0.536 4.876 4.340 -0.000 0.000 0.266 437 R C -0.034 176.276 176.300 0.017 0.000 1.026 437 R CA 0.211 56.314 56.100 0.004 0.000 1.102 437 R CB -0.187 30.122 30.300 0.016 0.000 0.978 437 R HN 0.927 nan 8.270 nan 0.000 0.436 438 I N 2.210 122.802 120.570 0.036 0.000 2.287 438 I HA 0.251 4.421 4.170 -0.000 0.000 0.290 438 I C 1.433 177.649 176.117 0.165 0.000 1.069 438 I CA -0.186 61.175 61.300 0.103 0.000 1.237 438 I CB 1.394 39.400 38.000 0.010 0.000 1.418 438 I HN 0.860 nan 8.210 nan 0.000 0.481 439 M N 5.244 124.987 119.600 0.238 0.000 3.300 439 M HA 0.150 4.630 4.480 -0.000 0.000 0.237 439 M C 1.501 177.932 176.300 0.218 0.000 1.613 439 M CA 0.860 56.255 55.300 0.159 0.000 1.690 439 M CB -1.789 30.818 32.600 0.011 0.000 1.288 439 M HN 0.845 nan 8.290 nan 0.000 0.520 440 K N 0.727 121.211 120.400 0.141 0.000 2.074 440 K HA -0.048 4.272 4.320 -0.000 0.000 0.209 440 K C 2.034 178.695 176.600 0.101 0.000 1.048 440 K CA 2.570 58.923 56.287 0.110 0.000 0.926 440 K CB -1.593 30.950 32.500 0.071 0.000 0.713 440 K HN 1.248 nan 8.250 nan 0.000 0.444 441 E N 0.007 120.259 120.200 0.087 0.000 2.268 441 E HA -0.097 4.253 4.350 -0.000 0.000 0.195 441 E C 1.945 178.603 176.600 0.096 0.000 0.995 441 E CA 1.414 57.858 56.400 0.073 0.000 0.836 441 E CB -1.532 28.199 29.700 0.053 0.000 0.763 441 E HN 0.935 nan 8.360 nan 0.000 0.491 442 N N -0.536 118.249 118.700 0.141 0.000 2.461 442 N HA 0.282 5.022 4.740 -0.000 0.000 0.188 442 N C 1.694 177.357 175.510 0.254 0.000 1.134 442 N CA 0.770 53.935 53.050 0.192 0.000 0.878 442 N CB -0.370 38.234 38.487 0.195 0.000 0.972 442 N HN 0.462 nan 8.380 nan 0.000 0.456 443 M N -0.426 119.288 119.600 0.189 0.000 2.428 443 M HA 0.116 4.596 4.480 -0.000 0.000 0.239 443 M C 2.778 179.120 176.300 0.069 0.000 1.121 443 M CA 0.358 55.733 55.300 0.124 0.000 1.019 443 M CB 0.347 32.983 32.600 0.061 0.000 1.485 443 M HN 0.562 nan 8.290 nan 0.000 0.484 444 R N 0.776 121.318 120.500 0.070 0.000 2.179 444 R HA -0.257 4.083 4.340 -0.000 0.000 0.238 444 R C 2.095 178.397 176.300 0.003 0.000 1.119 444 R CA 3.167 59.288 56.100 0.034 0.000 0.915 444 R CB -2.527 27.798 30.300 0.042 0.000 0.870 444 R HN 0.576 nan 8.270 nan 0.000 0.432 445 T N -0.665 113.904 114.554 0.026 0.000 2.624 445 T HA -0.079 4.271 4.350 -0.000 0.000 0.266 445 T C 2.543 177.163 174.700 -0.134 0.000 1.050 445 T CA 3.047 65.148 62.100 0.002 0.000 1.163 445 T CB -1.138 67.784 68.868 0.090 0.000 0.861 445 T HN 0.932 nan 8.240 nan 0.000 0.443 446 G N 0.164 108.896 108.800 -0.113 0.000 2.598 446 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.215 446 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.215 446 G C 1.624 176.344 174.900 -0.300 0.000 1.131 446 G CA 0.919 45.805 45.100 -0.357 0.000 0.785 446 G HN 0.589 nan 8.290 nan 0.000 0.539 447 N N -0.131 118.474 118.700 -0.158 0.000 2.405 447 N HA 0.131 4.871 4.740 -0.000 0.000 0.175 447 N C 1.395 176.836 175.510 -0.114 0.000 1.051 447 N CA 0.357 53.341 53.050 -0.109 0.000 0.899 447 N CB -0.455 38.002 38.487 -0.050 0.000 1.000 447 N HN 0.295 nan 8.380 nan 0.000 0.451 448 L N 1.298 122.444 121.223 -0.129 0.000 2.593 448 L HA 0.057 4.397 4.340 -0.000 0.000 0.287 448 L C -0.694 176.109 176.870 -0.112 0.000 1.243 448 L CA -0.490 54.288 54.840 -0.103 0.000 0.890 448 L CB -1.283 40.716 42.059 -0.099 0.000 1.134 448 L HN 0.043 nan 8.230 nan 0.000 0.502 449 P HA -0.247 nan 4.420 nan 0.000 0.215 449 P C 1.923 179.183 177.300 -0.067 0.000 1.163 449 P CA 2.546 65.610 63.100 -0.060 0.000 0.894 449 P CB 0.099 31.774 31.700 -0.041 0.000 0.791 450 A N -0.348 122.433 122.820 -0.064 0.000 1.917 450 A HA -0.261 4.059 4.320 -0.000 0.000 0.219 450 A C 2.035 179.579 177.584 -0.067 0.000 1.182 450 A CA 2.249 54.256 52.037 -0.051 0.000 0.633 450 A CB -1.472 17.506 19.000 -0.037 0.000 0.819 450 A HN 0.187 nan 8.150 nan 0.000 0.448 451 N N -1.158 117.451 118.700 -0.152 0.000 2.446 451 N HA -0.025 4.715 4.740 -0.000 0.000 0.179 451 N C 1.916 177.311 175.510 -0.192 0.000 1.054 451 N CA 1.523 54.414 53.050 -0.264 0.000 0.905 451 N CB -0.553 37.490 38.487 -0.740 0.000 0.973 451 N HN 0.578 nan 8.380 nan 0.000 0.448 452 M N 1.458 120.981 119.600 -0.128 0.000 2.082 452 M HA -0.173 4.307 4.480 -0.000 0.000 0.258 452 M C 2.628 178.925 176.300 -0.005 0.000 1.069 452 M CA 2.765 58.026 55.300 -0.066 0.000 1.102 452 M CB -2.054 30.515 32.600 -0.051 0.000 1.336 452 M HN 0.416 nan 8.290 nan 0.000 0.404 453 K N 0.781 121.189 120.400 0.013 0.000 2.160 453 K HA -0.191 4.129 4.320 -0.000 0.000 0.206 453 K C 2.022 178.727 176.600 0.175 0.000 1.047 453 K CA 2.189 58.520 56.287 0.073 0.000 0.930 453 K CB -1.155 31.371 32.500 0.043 0.000 0.720 453 K HN 0.869 nan 8.250 nan 0.000 0.450 454 K N -0.309 120.183 120.400 0.154 0.000 2.432 454 K HA 0.222 4.542 4.320 -0.000 0.000 0.196 454 K C 0.986 177.648 176.600 0.103 0.000 1.038 454 K CA 0.367 56.749 56.287 0.158 0.000 0.986 454 K CB 0.147 32.791 32.500 0.239 0.000 0.782 454 K HN 0.453 nan 8.250 nan 0.000 0.485 455 A N 0.955 123.843 122.820 0.113 0.000 2.295 455 A HA 0.346 4.666 4.320 -0.000 0.000 0.318 455 A C 0.562 178.161 177.584 0.026 0.000 1.134 455 A CA -0.562 51.518 52.037 0.072 0.000 0.827 455 A CB 1.004 20.061 19.000 0.096 0.000 1.136 455 A HN 0.089 nan 8.150 nan 0.000 0.493 456 R N 0.154 120.653 120.500 -0.001 0.000 2.052 456 R HA 0.105 4.445 4.340 -0.000 0.000 0.224 456 R C -0.306 175.992 176.300 -0.004 0.000 1.149 456 R CA 1.033 57.129 56.100 -0.007 0.000 0.962 456 R CB -0.020 30.267 30.300 -0.021 0.000 0.856 456 R HN 0.466 nan 8.270 nan 0.000 0.433 457 V N 1.751 121.658 119.914 -0.011 0.000 2.311 457 V HA 0.131 4.251 4.120 -0.000 0.000 0.275 457 V C 1.510 177.599 176.094 -0.008 0.000 1.022 457 V CA 0.008 62.299 62.300 -0.016 0.000 0.830 457 V CB 0.858 32.661 31.823 -0.033 0.000 1.012 457 V HN 0.346 nan 8.190 nan 0.000 0.452 458 I N 3.769 124.337 120.570 -0.004 0.000 2.502 458 I HA -0.166 4.004 4.170 -0.000 0.000 0.258 458 I C 2.306 178.423 176.117 -0.001 0.000 1.172 458 I CA 2.659 63.958 61.300 -0.002 0.000 1.430 458 I CB -1.481 36.516 38.000 -0.005 0.000 1.086 458 I HN 0.839 nan 8.210 nan 0.000 0.440 459 Q N -0.067 119.732 119.800 -0.002 0.000 2.331 459 Q HA 0.337 4.677 4.340 -0.000 0.000 0.203 459 Q C 1.360 177.388 176.000 0.046 0.000 0.944 459 Q CA 1.052 56.866 55.803 0.018 0.000 0.892 459 Q CB -0.361 28.377 28.738 -0.001 0.000 0.983 459 Q HN 0.912 nan 8.270 nan 0.000 0.482 460 I N 1.160 121.740 120.570 0.017 0.000 2.417 460 I HA 0.420 4.590 4.170 -0.000 0.000 0.283 460 I C -0.566 175.536 176.117 -0.025 0.000 1.121 460 I CA -0.161 61.155 61.300 0.027 0.000 1.211 460 I CB 0.416 38.423 38.000 0.011 0.000 1.492 460 I HN 0.279 nan 8.210 nan 0.000 0.522 461 I N 5.619 126.152 120.570 -0.062 0.000 2.957 461 I HA 0.518 4.688 4.170 -0.000 0.000 0.310 461 I C -2.287 173.729 176.117 -0.169 0.000 1.063 461 I CA -2.276 58.990 61.300 -0.057 0.000 1.033 461 I CB 3.408 41.405 38.000 -0.004 0.000 1.230 461 I HN 0.146 nan 8.210 nan 0.000 0.447 462 P HA 0.187 nan 4.420 nan 0.000 0.284 462 P C -1.380 175.811 177.300 -0.183 0.000 1.253 462 P CA -0.181 62.799 63.100 -0.200 0.000 0.800 462 P CB 0.439 32.047 31.700 -0.153 0.000 0.961 463 Y N -0.141 120.085 120.300 -0.124 0.000 2.597 463 Y HA 0.098 4.648 4.550 -0.000 0.000 0.336 463 Y C 2.364 178.184 175.900 -0.134 0.000 1.216 463 Y CA 1.437 59.473 58.100 -0.107 0.000 1.463 463 Y CB -0.790 37.576 38.460 -0.158 0.000 1.303 463 Y HN 0.519 nan 8.280 nan 0.000 0.576 464 D N 3.428 123.937 120.400 0.181 0.000 2.149 464 D HA -0.237 4.403 4.640 -0.000 0.000 0.198 464 D C 1.703 178.060 176.300 0.096 0.000 0.990 464 D CA 1.908 55.985 54.000 0.129 0.000 0.839 464 D CB -0.927 39.967 40.800 0.157 0.000 0.948 464 D HN 0.657 nan 8.370 nan 0.000 0.460 465 F N 1.402 121.398 119.950 0.077 0.000 2.206 465 F HA 0.024 4.551 4.527 -0.000 0.000 0.298 465 F C 1.407 177.225 175.800 0.030 0.000 1.090 465 F CA 1.239 59.255 58.000 0.026 0.000 1.323 465 F CB -0.165 38.814 39.000 -0.036 0.000 1.028 465 F HN 0.220 nan 8.300 nan 0.000 0.492 466 N N 1.446 119.695 118.700 -0.751 0.000 2.328 466 N HA 0.081 4.821 4.740 -0.000 0.000 0.247 466 N C -0.216 175.171 175.510 -0.205 0.000 1.165 466 N CA -0.586 52.218 53.050 -0.411 0.000 0.873 466 N CB -0.303 37.852 38.487 -0.552 0.000 1.125 466 N HN 0.593 nan 8.380 nan 0.000 0.513 467 R N -0.779 119.626 120.500 -0.159 0.000 2.543 467 R HA 0.496 4.836 4.340 -0.000 0.000 0.268 467 R C -0.771 175.448 176.300 -0.136 0.000 1.067 467 R CA -0.677 55.322 56.100 -0.169 0.000 1.142 467 R CB 0.745 30.979 30.300 -0.109 0.000 1.110 467 R HN -0.165 nan 8.270 nan 0.000 0.549 468 V N 2.538 122.266 119.914 -0.311 0.000 2.284 468 V HA 0.273 4.393 4.120 -0.000 0.000 0.260 468 V C 0.918 176.983 176.094 -0.048 0.000 1.084 468 V CA -0.095 61.980 62.300 -0.375 0.000 0.894 468 V CB 0.128 31.476 31.823 -0.792 0.000 1.119 468 V HN 0.710 nan 8.190 nan 0.000 0.484 469 I N 5.510 126.187 120.570 0.179 0.000 2.575 469 I HA 0.654 4.824 4.170 -0.000 0.000 0.285 469 I C -0.011 176.306 176.117 0.332 0.000 1.085 469 I CA 0.043 61.479 61.300 0.225 0.000 1.403 469 I CB 0.301 38.438 38.000 0.229 0.000 1.409 469 I HN 0.625 nan 8.210 nan 0.000 0.557 470 L N 3.585 124.928 121.223 0.200 0.000 2.256 470 L HA 0.775 5.115 4.340 -0.000 0.000 0.261 470 L C 1.060 177.989 176.870 0.098 0.000 1.022 470 L CA -0.790 54.149 54.840 0.164 0.000 0.828 470 L CB 1.465 43.594 42.059 0.118 0.000 1.374 470 L HN 0.926 nan 8.230 nan 0.000 0.436 471 S N 0.546 116.281 115.700 0.058 0.000 2.562 471 S HA 0.567 5.037 4.470 -0.000 0.000 0.281 471 S C 0.298 174.924 174.600 0.044 0.000 1.333 471 S CA 0.132 58.354 58.200 0.038 0.000 1.052 471 S CB 0.312 63.523 63.200 0.018 0.000 0.884 471 S HN 0.509 nan 8.310 nan 0.000 0.506 480 D N 0.237 120.701 120.400 0.106 0.000 2.310 480 D HA 0.150 4.790 4.640 -0.000 0.000 0.212 480 D C 0.481 176.865 176.300 0.140 0.000 0.965 480 D CA 0.528 54.599 54.000 0.117 0.000 0.879 480 D CB -0.123 40.747 40.800 0.117 0.000 0.921 480 D HN 0.526 nan 8.370 nan 0.000 0.510 481 Y N -0.595 119.714 120.300 0.016 0.000 2.376 481 Y HA 0.598 5.148 4.550 -0.000 0.000 0.325 481 Y C -0.436 175.452 175.900 -0.021 0.000 1.199 481 Y CA -1.398 56.700 58.100 -0.004 0.000 1.206 481 Y CB 1.291 39.746 38.460 -0.008 0.000 1.229 481 Y HN 0.210 nan 8.280 nan 0.000 0.480 482 I N 3.542 123.502 120.570 -1.015 0.000 2.744 482 I HA 0.195 4.365 4.170 -0.000 0.000 0.285 482 I C -1.133 174.392 176.117 -0.987 0.000 1.530 482 I CA -0.353 60.477 61.300 -0.784 0.000 1.064 482 I CB 0.669 38.453 38.000 -0.361 0.000 1.429 482 I HN 0.873 nan 8.210 nan 0.000 0.425 483 N N 5.550 123.814 118.700 -0.728 0.000 2.383 483 N HA 0.505 5.245 4.740 -0.000 0.000 0.295 483 N C -0.342 174.965 175.510 -0.339 0.000 1.281 483 N CA 0.764 53.563 53.050 -0.418 0.000 1.048 483 N CB 0.137 38.531 38.487 -0.156 0.000 1.455 483 N HN 0.886 nan 8.380 nan 0.000 0.488 484 A N 0.509 123.094 122.820 -0.391 0.000 2.549 484 A HA 0.836 5.156 4.320 -0.000 0.000 0.297 484 A C -0.496 176.844 177.584 -0.407 0.000 1.061 484 A CA -0.497 51.310 52.037 -0.384 0.000 0.690 484 A CB 1.346 20.072 19.000 -0.457 0.000 1.287 484 A HN 0.613 nan 8.150 nan 0.000 0.402 485 S N 0.496 115.963 115.700 -0.388 0.000 2.557 485 S HA 0.657 5.127 4.470 -0.000 0.000 0.291 485 S C -1.107 173.276 174.600 -0.361 0.000 1.116 485 S CA -0.298 57.693 58.200 -0.348 0.000 0.992 485 S CB 0.553 63.621 63.200 -0.220 0.000 1.028 485 S HN 0.462 nan 8.310 nan 0.000 0.484 486 F N 2.833 122.638 119.950 -0.241 0.000 2.504 486 F HA 0.403 4.930 4.527 -0.000 0.000 0.369 486 F C 0.409 176.152 175.800 -0.095 0.000 1.082 486 F CA -0.186 57.695 58.000 -0.198 0.000 1.216 486 F CB 0.193 39.033 39.000 -0.266 0.000 1.108 486 F HN 0.327 nan 8.300 nan 0.000 0.554 487 I N 3.522 124.219 120.570 0.211 0.000 2.465 487 I HA 0.227 4.397 4.170 -0.000 0.000 0.291 487 I C -0.708 175.587 176.117 0.297 0.000 1.014 487 I CA -1.092 60.330 61.300 0.204 0.000 1.093 487 I CB 1.669 39.768 38.000 0.165 0.000 1.267 487 I HN 0.355 nan 8.210 nan 0.000 0.431 488 D N 4.409 124.936 120.400 0.211 0.000 2.382 488 D HA 0.295 4.935 4.640 -0.000 0.000 0.245 488 D C 0.445 176.916 176.300 0.286 0.000 1.120 488 D CA 0.263 54.373 54.000 0.184 0.000 0.890 488 D CB 1.332 42.190 40.800 0.098 0.000 1.201 488 D HN 0.671 nan 8.370 nan 0.000 0.433 489 G N 0.271 109.210 108.800 0.233 0.000 2.525 489 G HA2 0.048 4.008 3.960 -0.000 0.000 0.287 489 G HA3 0.048 4.008 3.960 -0.000 0.000 0.287 489 G C 0.424 175.389 174.900 0.110 0.000 1.350 489 G CA -0.311 44.941 45.100 0.252 0.000 1.039 489 G HN 0.507 nan 8.290 nan 0.000 0.513 490 Y N -0.410 119.866 120.300 -0.040 0.000 2.242 490 Y HA 0.000 4.550 4.550 -0.000 0.000 0.291 490 Y C 2.787 178.594 175.900 -0.156 0.000 1.137 490 Y CA 1.758 59.806 58.100 -0.087 0.000 1.181 490 Y CB 0.147 38.552 38.460 -0.092 0.000 0.989 490 Y HN 0.382 nan 8.280 nan 0.000 0.527 491 R N -0.293 119.997 120.500 -0.349 0.000 2.279 491 R HA 0.164 4.504 4.340 -0.000 0.000 0.195 491 R C -0.234 175.849 176.300 -0.362 0.000 0.905 491 R CA 0.472 56.303 56.100 -0.449 0.000 1.044 491 R CB 0.432 30.515 30.300 -0.360 0.000 1.056 491 R HN 0.412 nan 8.270 nan 0.000 0.535 492 Q N -1.300 118.309 119.800 -0.317 0.000 2.534 492 Q HA 0.501 4.841 4.340 -0.000 0.000 0.290 492 Q C -1.349 174.584 176.000 -0.111 0.000 0.991 492 Q CA -0.997 54.675 55.803 -0.217 0.000 0.783 492 Q CB 0.983 29.598 28.738 -0.204 0.000 1.470 492 Q HN -0.126 nan 8.270 nan 0.000 0.406 493 K N 0.224 120.574 120.400 -0.084 0.000 2.219 493 K HA 0.205 4.525 4.320 -0.000 0.000 0.258 493 K C 0.033 176.619 176.600 -0.023 0.000 1.008 493 K CA 0.445 56.706 56.287 -0.043 0.000 0.928 493 K CB -0.571 31.886 32.500 -0.071 0.000 0.983 493 K HN 0.776 nan 8.250 nan 0.000 0.484 494 D N -0.708 119.691 120.400 -0.001 0.000 2.686 494 D HA -0.194 4.446 4.640 -0.000 0.000 0.235 494 D C 0.183 176.523 176.300 0.067 0.000 1.160 494 D CA 1.353 55.342 54.000 -0.018 0.000 0.645 494 D CB -1.419 39.117 40.800 -0.439 0.000 1.039 494 D HN 0.719 nan 8.370 nan 0.000 0.423 495 Y N -0.438 119.815 120.300 -0.078 0.000 2.397 495 Y HA 0.186 4.736 4.550 -0.000 0.000 0.292 495 Y C 0.404 176.057 175.900 -0.413 0.000 1.115 495 Y CA 0.583 58.504 58.100 -0.298 0.000 1.208 495 Y CB 0.413 38.582 38.460 -0.486 0.000 1.046 495 Y HN 0.011 nan 8.280 nan 0.000 0.552 496 F N 0.600 120.586 119.950 0.060 0.000 2.495 496 F HA 0.439 4.965 4.527 -0.000 0.000 0.327 496 F C -0.566 175.209 175.800 -0.042 0.000 1.103 496 F CA -1.139 56.846 58.000 -0.026 0.000 0.949 496 F CB 1.235 40.258 39.000 0.038 0.000 1.142 496 F HN -0.409 nan 8.300 nan 0.000 0.457 497 I N 2.940 123.520 120.570 0.017 0.000 2.321 497 I HA 0.464 4.634 4.170 -0.000 0.000 0.291 497 I C -0.171 175.863 176.117 -0.139 0.000 0.998 497 I CA -0.540 60.615 61.300 -0.241 0.000 1.227 497 I CB 1.347 39.091 38.000 -0.425 0.000 1.368 497 I HN 0.715 nan 8.210 nan 0.000 0.466 498 A N 5.136 127.859 122.820 -0.162 0.000 2.654 498 A HA 0.541 4.861 4.320 -0.000 0.000 0.345 498 A C -0.070 177.428 177.584 -0.143 0.000 1.368 498 A CA -0.364 51.611 52.037 -0.103 0.000 0.895 498 A CB 0.523 19.478 19.000 -0.075 0.000 1.143 498 A HN 0.635 nan 8.150 nan 0.000 0.490 499 T N 0.872 115.358 114.554 -0.114 0.000 2.949 499 T HA 0.501 4.851 4.350 -0.000 0.000 0.287 499 T C 0.313 174.988 174.700 -0.041 0.000 1.034 499 T CA -0.508 61.517 62.100 -0.124 0.000 1.018 499 T CB 0.835 69.606 68.868 -0.162 0.000 1.135 499 T HN 0.803 nan 8.240 nan 0.000 0.532 500 Q N 1.108 120.866 119.800 -0.070 0.000 2.382 500 Q HA 0.501 4.841 4.340 -0.000 0.000 0.229 500 Q C 0.485 176.451 176.000 -0.056 0.000 1.006 500 Q CA -0.839 54.938 55.803 -0.042 0.000 0.916 500 Q CB 0.121 28.818 28.738 -0.069 0.000 1.235 500 Q HN 0.740 nan 8.270 nan 0.000 0.512 501 G N 1.950 110.753 108.800 0.006 0.000 2.343 501 G HA2 0.298 4.258 3.960 -0.000 0.000 0.254 501 G HA3 0.298 4.258 3.960 -0.000 0.000 0.254 501 G C -2.386 172.388 174.900 -0.211 0.000 1.277 501 G CA -1.028 44.036 45.100 -0.059 0.000 0.909 501 G HN 0.483 nan 8.290 nan 0.000 0.502 502 P HA 0.055 nan 4.420 nan 0.000 0.265 502 P C 0.142 177.324 177.300 -0.196 0.000 1.193 502 P CA 0.041 62.908 63.100 -0.387 0.000 0.765 502 P CB 0.686 31.988 31.700 -0.662 0.000 0.823 503 L N 2.142 123.211 121.223 -0.257 0.000 2.421 503 L HA 0.319 4.659 4.340 -0.000 0.000 0.263 503 L C 1.904 178.491 176.870 -0.472 0.000 1.122 503 L CA -0.444 54.218 54.840 -0.297 0.000 0.804 503 L CB 0.371 42.174 42.059 -0.426 0.000 1.150 503 L HN 0.391 nan 8.230 nan 0.000 0.457 504 A N 1.226 123.683 122.820 -0.604 0.000 1.896 504 A HA -0.253 4.067 4.320 -0.000 0.000 0.220 504 A C 1.773 179.004 177.584 -0.587 0.000 1.206 504 A CA 2.216 53.602 52.037 -1.085 0.000 0.647 504 A CB -1.027 17.579 19.000 -0.657 0.000 0.828 504 A HN 0.941 nan 8.150 nan 0.000 0.455 505 H N -1.009 117.861 119.070 -0.334 0.000 2.555 505 H HA 0.163 4.719 4.556 -0.000 0.000 0.283 505 H C 0.801 176.045 175.328 -0.141 0.000 1.037 505 H CA 1.278 57.205 56.048 -0.201 0.000 1.169 505 H CB -0.726 28.957 29.762 -0.131 0.000 1.375 505 H HN 0.520 nan 8.280 nan 0.000 0.582 506 T N -2.535 111.802 114.554 -0.361 0.000 3.170 506 T HA 0.141 4.491 4.350 -0.000 0.000 0.288 506 T C 1.559 176.175 174.700 -0.140 0.000 0.992 506 T CA 0.313 62.278 62.100 -0.225 0.000 0.909 506 T CB -0.418 68.290 68.868 -0.266 0.000 1.133 506 T HN 0.140 nan 8.240 nan 0.000 0.530 507 V N -0.725 119.086 119.914 -0.172 0.000 2.453 507 V HA 0.154 4.274 4.120 -0.000 0.000 0.247 507 V C 2.834 179.000 176.094 0.119 0.000 1.048 507 V CA 1.873 64.131 62.300 -0.070 0.000 1.049 507 V CB -1.875 29.844 31.823 -0.173 0.000 0.672 507 V HN 0.595 nan 8.190 nan 0.000 0.457 508 E N 1.360 121.594 120.200 0.056 0.000 2.070 508 E HA -0.310 4.040 4.350 -0.000 0.000 0.197 508 E C 1.862 178.553 176.600 0.152 0.000 1.004 508 E CA 2.729 59.212 56.400 0.138 0.000 0.805 508 E CB -1.715 28.029 29.700 0.073 0.000 0.744 508 E HN 0.906 nan 8.360 nan 0.000 0.451 509 D N -1.268 119.182 120.400 0.083 0.000 2.277 509 D HA 0.179 4.819 4.640 -0.000 0.000 0.208 509 D C 1.777 178.102 176.300 0.041 0.000 0.962 509 D CA 0.924 54.958 54.000 0.056 0.000 0.865 509 D CB -0.522 40.287 40.800 0.016 0.000 0.939 509 D HN 0.492 nan 8.370 nan 0.000 0.510 510 F N -0.812 119.056 119.950 -0.135 0.000 2.128 510 F HA 0.067 4.594 4.527 -0.000 0.000 0.295 510 F C 1.859 177.499 175.800 -0.265 0.000 1.100 510 F CA 1.217 59.035 58.000 -0.304 0.000 1.260 510 F CB -0.167 38.523 39.000 -0.516 0.000 1.009 510 F HN 0.233 nan 8.300 nan 0.000 0.476 511 W N 0.666 122.060 121.300 0.158 0.000 2.519 511 W HA 0.023 4.683 4.660 -0.000 0.000 0.266 511 W C 2.489 179.046 176.519 0.063 0.000 1.253 511 W CA 0.502 57.914 57.345 0.112 0.000 1.274 511 W CB -0.202 29.387 29.460 0.215 0.000 1.114 511 W HN -0.138 nan 8.180 nan 0.000 0.596 512 R N -0.053 120.585 120.500 0.230 0.000 2.066 512 R HA -0.169 4.171 4.340 -0.000 0.000 0.232 512 R C 2.291 178.676 176.300 0.142 0.000 1.131 512 R CA 1.766 57.967 56.100 0.169 0.000 0.955 512 R CB -0.738 29.625 30.300 0.105 0.000 0.851 512 R HN 0.205 nan 8.270 nan 0.000 0.432 513 M N 0.755 120.364 119.600 0.015 0.000 2.082 513 M HA -0.224 4.256 4.480 -0.000 0.000 0.258 513 M C 1.911 178.230 176.300 0.031 0.000 1.069 513 M CA 1.793 57.103 55.300 0.016 0.000 1.102 513 M CB -0.080 32.386 32.600 -0.223 0.000 1.336 513 M HN 0.131 nan 8.290 nan 0.000 0.404 514 I N -0.624 119.858 120.570 -0.145 0.000 2.163 514 I HA -0.357 3.813 4.170 -0.000 0.000 0.243 514 I C 2.418 178.588 176.117 0.088 0.000 1.085 514 I CA 1.832 63.077 61.300 -0.092 0.000 1.347 514 I CB -1.346 36.588 38.000 -0.111 0.000 1.044 514 I HN 0.696 nan 8.210 nan 0.000 0.408 515 W N 2.083 123.400 121.300 0.028 0.000 2.407 515 W HA -0.197 4.463 4.660 -0.000 0.000 0.305 515 W C 2.607 179.101 176.519 -0.042 0.000 1.196 515 W CA 2.240 59.597 57.345 0.019 0.000 1.311 515 W CB -0.107 29.385 29.460 0.053 0.000 1.135 515 W HN 0.235 nan 8.180 nan 0.000 0.514 516 E N -0.561 119.746 120.200 0.178 0.000 2.338 516 E HA -0.215 4.135 4.350 -0.000 0.000 0.197 516 E C 1.167 177.512 176.600 -0.425 0.000 1.007 516 E CA 1.301 57.646 56.400 -0.091 0.000 0.849 516 E CB -1.314 28.322 29.700 -0.106 0.000 0.774 516 E HN 0.507 nan 8.360 nan 0.000 0.506 517 W N -0.686 120.597 121.300 -0.029 0.000 2.991 517 W HA 0.443 5.103 4.660 -0.000 0.000 0.391 517 W C 0.401 176.851 176.519 -0.114 0.000 1.054 517 W CA -0.384 56.949 57.345 -0.021 0.000 1.856 517 W CB 0.600 30.105 29.460 0.075 0.000 1.132 517 W HN 0.049 nan 8.180 nan 0.000 0.601 518 K N 0.375 120.697 120.400 -0.129 0.000 3.069 518 K HA -0.231 4.089 4.320 -0.000 0.000 0.267 518 K C 0.355 176.683 176.600 -0.454 0.000 1.082 518 K CA 0.638 56.702 56.287 -0.371 0.000 0.782 518 K CB -1.459 30.893 32.500 -0.246 0.000 1.230 518 K HN 0.027 nan 8.250 nan 0.000 0.488 519 S N -0.774 114.773 115.700 -0.255 0.000 2.528 519 S HA 0.165 4.635 4.470 -0.000 0.000 0.277 519 S C 0.718 175.149 174.600 -0.283 0.000 1.297 519 S CA -0.348 57.727 58.200 -0.207 0.000 1.052 519 S CB 0.473 63.608 63.200 -0.107 0.000 0.917 519 S HN 0.380 nan 8.310 nan 0.000 0.492 520 H N 1.980 121.021 119.070 -0.047 0.000 2.750 520 H HA 0.267 4.823 4.556 -0.000 0.000 0.263 520 H C 0.050 175.429 175.328 0.085 0.000 0.964 520 H CA 0.075 56.114 56.048 -0.016 0.000 1.205 520 H CB 0.863 30.576 29.762 -0.082 0.000 1.454 520 H HN 0.438 nan 8.280 nan 0.000 0.503 521 T N 1.405 116.075 114.554 0.193 0.000 2.848 521 T HA 0.484 4.834 4.350 -0.000 0.000 0.285 521 T C -0.451 174.353 174.700 0.173 0.000 0.995 521 T CA -0.590 61.645 62.100 0.225 0.000 0.970 521 T CB 1.914 70.931 68.868 0.249 0.000 0.976 521 T HN 0.033 nan 8.240 nan 0.000 0.441 522 I N 2.370 123.072 120.570 0.221 0.000 2.474 522 I HA 0.549 4.719 4.170 -0.000 0.000 0.294 522 I C -0.682 175.544 176.117 0.181 0.000 1.005 522 I CA -1.155 60.255 61.300 0.182 0.000 1.113 522 I CB 2.097 40.233 38.000 0.226 0.000 1.289 522 I HN 0.250 nan 8.210 nan 0.000 0.436 523 V N 6.721 126.661 119.914 0.044 0.000 2.350 523 V HA 0.375 4.495 4.120 -0.000 0.000 0.285 523 V C -0.077 175.854 176.094 -0.272 0.000 1.014 523 V CA -0.441 61.781 62.300 -0.130 0.000 0.831 523 V CB 1.645 33.190 31.823 -0.464 0.000 1.000 523 V HN 0.673 nan 8.190 nan 0.000 0.433 524 M N 5.470 124.918 119.600 -0.253 0.000 2.088 524 M HA 0.454 4.934 4.480 -0.000 0.000 0.346 524 M C -0.042 176.119 176.300 -0.231 0.000 1.111 524 M CA -0.322 54.696 55.300 -0.469 0.000 1.017 524 M CB 1.157 33.466 32.600 -0.485 0.000 1.568 524 M HN 0.593 nan 8.290 nan 0.000 0.445 525 L N 3.216 124.270 121.223 -0.282 0.000 2.728 525 L HA 0.187 4.527 4.340 -0.000 0.000 0.238 525 L C 0.722 177.588 176.870 -0.006 0.000 1.143 525 L CA -0.044 54.762 54.840 -0.055 0.000 0.937 525 L CB 0.186 42.139 42.059 -0.176 0.000 1.225 525 L HN 0.695 nan 8.230 nan 0.000 0.507 526 T N -4.548 110.005 114.554 -0.001 0.000 2.858 526 T HA 0.745 5.095 4.350 -0.000 0.000 0.285 526 T C -0.152 174.698 174.700 0.250 0.000 1.052 526 T CA -0.227 61.922 62.100 0.081 0.000 1.009 526 T CB 1.959 70.839 68.868 0.020 0.000 1.241 526 T HN -0.017 nan 8.240 nan 0.000 0.542 527 E N -0.004 120.338 120.200 0.237 0.000 2.280 527 E HA 0.616 4.966 4.350 -0.000 0.000 0.261 527 E C 1.258 177.992 176.600 0.224 0.000 1.088 527 E CA -0.339 56.243 56.400 0.303 0.000 0.915 527 E CB 0.408 30.218 29.700 0.183 0.000 1.141 527 E HN 0.641 nan 8.360 nan 0.000 0.433 528 V N 0.119 120.170 119.914 0.229 0.000 2.295 528 V HA 0.071 4.191 4.120 -0.000 0.000 0.246 528 V C 1.743 177.886 176.094 0.083 0.000 1.049 528 V CA 2.587 64.971 62.300 0.139 0.000 1.024 528 V CB -0.770 31.097 31.823 0.074 0.000 0.648 528 V HN 0.992 nan 8.190 nan 0.000 0.447 529 Q N -0.797 119.044 119.800 0.068 0.000 2.301 529 Q HA 0.753 5.093 4.340 -0.000 0.000 0.267 529 Q C -0.303 175.726 176.000 0.047 0.000 1.035 529 Q CA -0.006 55.825 55.803 0.046 0.000 0.856 529 Q CB 1.421 30.175 28.738 0.027 0.000 1.337 529 Q HN 0.761 nan 8.270 nan 0.000 0.450 530 E N 0.201 120.423 120.200 0.036 0.000 2.343 530 E HA 0.598 4.948 4.350 -0.000 0.000 0.286 530 E C -0.102 176.511 176.600 0.023 0.000 0.915 530 E CA -0.199 56.220 56.400 0.033 0.000 0.784 530 E CB 0.852 30.575 29.700 0.037 0.000 1.251 530 E HN 1.009 nan 8.360 nan 0.000 0.407 531 R N 0.506 121.018 120.500 0.020 0.000 3.770 531 R HA -0.153 4.187 4.340 -0.000 0.000 0.305 531 R C 1.076 177.384 176.300 0.012 0.000 1.184 531 R CA 2.136 58.245 56.100 0.016 0.000 0.823 531 R CB -2.640 27.669 30.300 0.016 0.000 1.285 531 R HN 2.222 nan 8.270 nan 0.000 0.499 532 E N -4.486 115.721 120.200 0.012 0.000 3.763 532 E HA -0.241 4.109 4.350 -0.000 0.000 0.319 532 E C -0.005 176.602 176.600 0.012 0.000 0.804 532 E CA 2.050 58.456 56.400 0.010 0.000 1.196 532 E CB -2.319 27.385 29.700 0.007 0.000 1.607 532 E HN 1.248 nan 8.360 nan 0.000 0.431 533 Q N -1.126 118.683 119.800 0.015 0.000 2.345 533 Q HA 0.680 5.020 4.340 -0.000 0.000 0.268 533 Q C 0.234 176.247 176.000 0.023 0.000 1.054 533 Q CA 0.571 56.384 55.803 0.016 0.000 0.835 533 Q CB 0.985 29.731 28.738 0.013 0.000 1.339 533 Q HN 1.649 nan 8.270 nan 0.000 0.447 534 D N 0.349 120.765 120.400 0.026 0.000 2.483 534 D HA 0.468 5.108 4.640 -0.000 0.000 0.220 534 D C 0.811 177.136 176.300 0.041 0.000 1.173 534 D CA 0.204 54.226 54.000 0.036 0.000 0.964 534 D CB -0.056 40.768 40.800 0.040 0.000 1.046 534 D HN 0.906 nan 8.370 nan 0.000 0.517 535 K N -0.376 120.050 120.400 0.044 0.000 2.444 535 K HA 0.509 4.829 4.320 -0.000 0.000 0.193 535 K C 0.714 177.349 176.600 0.058 0.000 1.024 535 K CA 0.553 56.864 56.287 0.040 0.000 1.077 535 K CB -0.471 32.048 32.500 0.031 0.000 0.833 535 K HN 1.263 nan 8.250 nan 0.000 0.517 536 C N -0.707 118.641 119.300 0.080 0.000 3.198 536 C HA 0.423 4.883 4.460 -0.000 0.000 0.438 536 C C -1.061 174.002 174.990 0.122 0.000 0.952 536 C CA -1.723 57.359 59.018 0.107 0.000 1.216 536 C CB -0.785 27.051 27.740 0.160 0.000 1.594 536 C HN 0.582 nan 8.230 nan 0.000 0.598 537 Y N 3.859 124.144 120.300 -0.026 0.000 2.578 537 Y HA 0.288 4.838 4.550 -0.000 0.000 0.339 537 Y C 0.676 176.537 175.900 -0.065 0.000 1.231 537 Y CA 1.109 59.174 58.100 -0.059 0.000 1.461 537 Y CB 0.699 39.104 38.460 -0.091 0.000 1.323 537 Y HN 0.813 nan 8.280 nan 0.000 0.590 538 Q N 5.678 124.993 119.800 -0.809 0.000 2.389 538 Q HA 0.098 4.438 4.340 -0.000 0.000 0.244 538 Q C -0.491 175.023 176.000 -0.809 0.000 1.056 538 Q CA -0.449 54.781 55.803 -0.955 0.000 0.908 538 Q CB 0.088 28.168 28.738 -1.096 0.000 1.273 538 Q HN 0.872 nan 8.270 nan 0.000 0.471 539 Y N 2.433 122.578 120.300 -0.258 0.000 2.517 539 Y HA 0.172 4.722 4.550 -0.000 0.000 0.281 539 Y C -0.190 175.993 175.900 0.473 0.000 1.125 539 Y CA -0.979 57.225 58.100 0.174 0.000 1.283 539 Y CB -0.331 38.136 38.460 0.013 0.000 1.042 539 Y HN 0.489 nan 8.280 nan 0.000 0.547 540 W N 2.119 123.347 121.300 -0.120 0.000 2.570 540 W HA 0.769 5.429 4.660 0.000 0.000 0.337 540 W C -3.042 173.481 176.519 0.007 0.000 1.067 540 W CA -3.279 54.039 57.345 -0.046 0.000 1.229 540 W CB 0.718 30.045 29.460 -0.221 0.000 1.355 540 W HN -0.309 nan 8.180 nan 0.000 0.555 541 P HA 0.211 nan 4.420 nan 0.000 0.284 541 P C 0.301 177.781 177.300 0.299 0.000 1.253 541 P CA -0.167 62.980 63.100 0.078 0.000 0.800 541 P CB 2.017 33.763 31.700 0.076 0.000 0.961 542 T N -0.353 114.283 114.554 0.137 0.000 3.010 542 T HA 0.036 4.386 4.350 -0.000 0.000 0.252 542 T C 1.787 176.565 174.700 0.129 0.000 1.047 542 T CA 1.336 63.565 62.100 0.215 0.000 1.140 542 T CB -0.415 68.540 68.868 0.145 0.000 0.885 542 T HN 0.464 nan 8.240 nan 0.000 0.464 543 E N 1.508 121.750 120.200 0.070 0.000 2.048 543 E HA 0.534 4.884 4.350 -0.000 0.000 0.193 543 E C 1.761 178.387 176.600 0.043 0.000 0.956 543 E CA 0.667 57.093 56.400 0.043 0.000 0.846 543 E CB -1.136 28.574 29.700 0.017 0.000 0.827 543 E HN 0.506 nan 8.360 nan 0.000 0.466 544 G N -0.860 107.959 108.800 0.031 0.000 3.345 544 G HA2 0.541 4.501 3.960 -0.000 0.000 0.202 544 G HA3 0.541 4.501 3.960 -0.000 0.000 0.202 544 G C 0.630 175.546 174.900 0.026 0.000 1.740 544 G CA 0.922 46.035 45.100 0.021 0.000 0.806 544 G HN 1.117 nan 8.290 nan 0.000 0.718 545 S N -1.239 114.457 115.700 -0.007 0.000 2.600 545 S HA 0.780 5.250 4.470 -0.000 0.000 0.300 545 S C -0.625 173.922 174.600 -0.088 0.000 1.087 545 S CA -0.290 57.889 58.200 -0.036 0.000 0.965 545 S CB 1.777 64.951 63.200 -0.045 0.000 1.089 545 S HN 1.632 nan 8.310 nan 0.000 0.496 546 V N -2.000 117.813 119.914 -0.169 0.000 2.925 546 V HA 1.016 5.136 4.120 -0.000 0.000 0.311 546 V C -0.159 175.721 176.094 -0.358 0.000 1.104 546 V CA -0.129 62.008 62.300 -0.273 0.000 0.954 546 V CB 0.920 32.503 31.823 -0.401 0.000 1.022 546 V HN 1.389 nan 8.190 nan 0.000 0.427 547 T N 1.065 115.440 114.554 -0.299 0.000 2.963 547 T HA 0.526 4.876 4.350 -0.000 0.000 0.343 547 T C -0.229 174.389 174.700 -0.137 0.000 1.146 547 T CA -0.500 61.462 62.100 -0.230 0.000 1.016 547 T CB -0.115 68.678 68.868 -0.125 0.000 1.046 547 T HN 0.795 nan 8.240 nan 0.000 0.496 548 H N 2.778 121.801 119.070 -0.079 0.000 2.882 548 H HA 0.522 5.078 4.556 -0.000 0.000 0.258 548 H C 1.367 176.705 175.328 0.017 0.000 1.579 548 H CA 0.445 56.505 56.048 0.020 0.000 1.340 548 H CB -0.047 29.803 29.762 0.146 0.000 1.645 548 H HN 1.201 nan 8.280 nan 0.000 0.541 549 G N 1.661 110.527 108.800 0.110 0.000 2.503 549 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.235 549 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.235 549 G C 1.016 175.902 174.900 -0.023 0.000 1.179 549 G CA 0.427 45.555 45.100 0.046 0.000 0.944 549 G HN 0.525 nan 8.290 nan 0.000 0.580 550 E N -0.247 119.919 120.200 -0.056 0.000 2.427 550 E HA 0.433 4.783 4.350 -0.000 0.000 0.196 550 E C 1.326 177.804 176.600 -0.203 0.000 1.028 550 E CA 1.321 57.647 56.400 -0.122 0.000 0.864 550 E CB -0.093 29.526 29.700 -0.136 0.000 0.813 550 E HN 0.719 nan 8.360 nan 0.000 0.514 551 I N 1.277 121.733 120.570 -0.190 0.000 2.499 551 I HA 0.404 4.574 4.170 -0.000 0.000 0.296 551 I C 0.076 176.034 176.117 -0.265 0.000 0.992 551 I CA -0.486 60.650 61.300 -0.273 0.000 1.297 551 I CB 1.310 39.193 38.000 -0.196 0.000 1.410 551 I HN -0.078 nan 8.210 nan 0.000 0.507 552 T N 6.048 120.430 114.554 -0.286 0.000 2.841 552 T HA 0.625 4.975 4.350 -0.000 0.000 0.283 552 T C -0.251 174.263 174.700 -0.310 0.000 1.000 552 T CA -0.385 61.551 62.100 -0.273 0.000 0.977 552 T CB 1.828 70.591 68.868 -0.174 0.000 0.979 552 T HN 0.180 nan 8.240 nan 0.000 0.446 553 I N 2.408 122.762 120.570 -0.359 0.000 2.410 553 I HA 0.606 4.776 4.170 -0.000 0.000 0.286 553 I C 0.281 176.358 176.117 -0.068 0.000 1.009 553 I CA -1.129 59.993 61.300 -0.297 0.000 1.111 553 I CB 0.587 38.242 38.000 -0.574 0.000 1.262 553 I HN 0.822 nan 8.210 nan 0.000 0.443 554 E N 5.955 126.194 120.200 0.065 0.000 2.212 554 E HA 0.688 5.038 4.350 -0.000 0.000 0.268 554 E C -0.934 175.809 176.600 0.238 0.000 0.902 554 E CA -0.754 55.714 56.400 0.114 0.000 0.779 554 E CB 2.849 32.581 29.700 0.053 0.000 1.172 554 E HN 0.700 nan 8.360 nan 0.000 0.409 555 I N 1.771 122.456 120.570 0.192 0.000 2.312 555 I HA 0.562 4.732 4.170 -0.000 0.000 0.290 555 I C 1.210 177.296 176.117 -0.052 0.000 1.008 555 I CA 0.019 61.349 61.300 0.049 0.000 1.226 555 I CB 1.096 39.153 38.000 0.095 0.000 1.371 555 I HN 0.723 nan 8.210 nan 0.000 0.468 556 K N 4.453 124.781 120.400 -0.120 0.000 2.141 556 K HA 0.266 4.586 4.320 -0.000 0.000 0.202 556 K C 0.653 177.193 176.600 -0.099 0.000 1.045 556 K CA 1.306 57.546 56.287 -0.078 0.000 0.971 556 K CB -0.959 31.509 32.500 -0.054 0.000 0.795 556 K HN 0.783 nan 8.250 nan 0.000 0.459 557 N N -0.895 117.708 118.700 -0.161 0.000 2.312 557 N HA 0.539 5.279 4.740 -0.000 0.000 0.296 557 N C -1.014 174.382 175.510 -0.189 0.000 1.193 557 N CA 0.187 53.154 53.050 -0.139 0.000 0.773 557 N CB 1.698 40.117 38.487 -0.113 0.000 1.435 557 N HN 0.816 nan 8.380 nan 0.000 0.484 558 D N -0.716 119.611 120.400 -0.122 0.000 2.318 558 D HA 0.690 5.329 4.640 -0.000 0.000 0.233 558 D C -0.282 175.987 176.300 -0.053 0.000 1.348 558 D CA 0.408 54.346 54.000 -0.104 0.000 0.983 558 D CB 0.235 41.000 40.800 -0.058 0.000 1.416 558 D HN 1.189 nan 8.370 nan 0.000 0.558 559 T N -0.541 113.979 114.554 -0.057 0.000 2.791 559 T HA 0.804 5.154 4.350 -0.000 0.000 0.288 559 T C 0.611 175.309 174.700 -0.004 0.000 0.999 559 T CA -0.045 62.040 62.100 -0.026 0.000 0.952 559 T CB 0.694 69.544 68.868 -0.029 0.000 0.938 559 T HN 1.662 nan 8.240 nan 0.000 0.444 560 L N 2.611 123.844 121.223 0.018 0.000 2.387 560 L HA 0.817 5.157 4.340 -0.000 0.000 0.267 560 L C 1.183 178.078 176.870 0.041 0.000 1.197 560 L CA -0.340 54.525 54.840 0.042 0.000 1.070 560 L CB -1.449 40.637 42.059 0.045 0.000 1.349 560 L HN 1.271 nan 8.230 nan 0.000 0.422 561 S N 1.263 116.992 115.700 0.049 0.000 2.587 561 S HA 0.584 5.054 4.470 -0.000 0.000 0.252 561 S C 0.922 175.561 174.600 0.065 0.000 1.282 561 S CA 0.473 58.707 58.200 0.057 0.000 0.977 561 S CB -0.045 63.199 63.200 0.075 0.000 1.015 561 S HN 1.876 nan 8.310 nan 0.000 0.557 562 E N -0.974 119.268 120.200 0.071 0.000 2.290 562 E HA 0.553 4.903 4.350 -0.000 0.000 0.277 562 E C 1.125 177.777 176.600 0.087 0.000 1.035 562 E CA 0.503 56.944 56.400 0.068 0.000 0.873 562 E CB -0.745 28.994 29.700 0.064 0.000 1.029 562 E HN 2.332 nan 8.360 nan 0.000 0.419 563 A N 1.870 124.727 122.820 0.062 0.000 1.260 563 A HA -0.242 4.078 4.320 -0.000 0.000 0.276 563 A C 1.069 178.675 177.584 0.037 0.000 1.132 563 A CA 1.568 53.623 52.037 0.029 0.000 1.094 563 A CB -2.451 16.580 19.000 0.052 0.000 1.471 563 A HN 1.390 nan 8.150 nan 0.000 0.723 564 I N 0.880 121.524 120.570 0.123 0.000 2.696 564 I HA 0.483 4.653 4.170 -0.000 0.000 0.284 564 I C 0.829 176.983 176.117 0.061 0.000 1.129 564 I CA 0.859 62.237 61.300 0.129 0.000 1.410 564 I CB 0.461 38.644 38.000 0.305 0.000 1.399 564 I HN 1.047 nan 8.210 nan 0.000 0.579 565 S N 5.968 121.652 115.700 -0.026 0.000 2.519 565 S HA 0.728 5.198 4.470 -0.000 0.000 0.309 565 S C -0.811 173.772 174.600 -0.029 0.000 1.100 565 S CA -0.825 57.386 58.200 0.019 0.000 1.059 565 S CB 1.320 64.583 63.200 0.104 0.000 1.008 565 S HN 0.449 nan 8.310 nan 0.000 0.478 566 I N 3.927 124.447 120.570 -0.084 0.000 2.354 566 I HA 0.507 4.677 4.170 -0.000 0.000 0.292 566 I C 0.268 176.244 176.117 -0.234 0.000 0.989 566 I CA -0.775 60.383 61.300 -0.237 0.000 1.188 566 I CB 1.482 39.297 38.000 -0.308 0.000 1.342 566 I HN 0.559 nan 8.210 nan 0.000 0.457 567 R N 4.606 124.932 120.500 -0.289 0.000 2.740 567 R HA 0.556 4.896 4.340 -0.000 0.000 0.282 567 R C -1.488 174.504 176.300 -0.513 0.000 0.969 567 R CA -1.011 54.845 56.100 -0.407 0.000 0.918 567 R CB 2.246 32.289 30.300 -0.427 0.000 1.175 567 R HN 0.461 nan 8.270 nan 0.000 0.464 568 D N 2.241 122.250 120.400 -0.651 0.000 2.505 568 D HA 0.413 5.053 4.640 -0.000 0.000 0.249 568 D C -0.821 175.105 176.300 -0.624 0.000 1.082 568 D CA -0.136 53.594 54.000 -0.450 0.000 0.839 568 D CB 1.571 42.235 40.800 -0.228 0.000 1.317 568 D HN 0.218 nan 8.370 nan 0.000 0.497 569 F N 0.436 120.431 119.950 0.075 0.000 2.563 569 F HA 0.413 4.940 4.527 -0.000 0.000 0.316 569 F C 0.134 175.982 175.800 0.080 0.000 1.076 569 F CA -1.042 57.011 58.000 0.089 0.000 0.921 569 F CB 1.772 40.862 39.000 0.150 0.000 1.209 569 F HN -0.015 nan 8.300 nan 0.000 0.462 570 L N 3.650 125.014 121.223 0.234 0.000 2.268 570 L HA 0.424 4.764 4.340 -0.000 0.000 0.289 570 L C -0.754 176.209 176.870 0.154 0.000 1.064 570 L CA -0.605 54.334 54.840 0.165 0.000 0.824 570 L CB 0.726 42.844 42.059 0.099 0.000 1.202 570 L HN 0.361 nan 8.230 nan 0.000 0.433 571 V N 2.811 122.849 119.914 0.208 0.000 2.498 571 V HA 0.420 4.540 4.120 -0.000 0.000 0.279 571 V C 0.362 176.610 176.094 0.257 0.000 1.048 571 V CA -0.327 62.089 62.300 0.193 0.000 0.967 571 V CB 1.446 33.484 31.823 0.358 0.000 0.988 571 V HN 0.803 nan 8.190 nan 0.000 0.473 572 T N 3.286 117.859 114.554 0.031 0.000 2.893 572 T HA 0.587 4.937 4.350 -0.000 0.000 0.293 572 T C -0.767 173.707 174.700 -0.378 0.000 1.027 572 T CA -0.649 61.416 62.100 -0.059 0.000 0.988 572 T CB 1.882 70.728 68.868 -0.037 0.000 1.043 572 T HN 0.307 nan 8.240 nan 0.000 0.461 573 L N 2.982 123.878 121.223 -0.545 0.000 2.353 573 L HA 0.506 4.846 4.340 -0.000 0.000 0.269 573 L C 0.539 177.229 176.870 -0.299 0.000 1.085 573 L CA 0.137 54.583 54.840 -0.658 0.000 0.938 573 L CB -1.065 40.412 42.059 -0.969 0.000 1.312 573 L HN 0.979 nan 8.230 nan 0.000 0.429 582 E N 0.451 120.702 120.200 0.085 0.000 2.416 582 E HA 0.213 4.563 4.350 -0.000 0.000 0.189 582 E C 1.569 178.299 176.600 0.217 0.000 1.091 582 E CA 0.767 57.227 56.400 0.100 0.000 0.889 582 E CB -0.327 29.421 29.700 0.080 0.000 1.015 582 E HN 0.598 nan 8.360 nan 0.000 0.479 583 Q N -0.692 119.242 119.800 0.223 0.000 2.425 583 Q HA 0.252 4.592 4.340 -0.000 0.000 0.204 583 Q C -0.029 176.200 176.000 0.380 0.000 0.933 583 Q CA 0.269 56.246 55.803 0.291 0.000 0.939 583 Q CB 0.558 29.379 28.738 0.139 0.000 1.044 583 Q HN 0.398 nan 8.270 nan 0.000 0.513 584 V N 0.452 120.568 119.914 0.336 0.000 2.808 584 V HA 0.513 4.633 4.120 -0.000 0.000 0.308 584 V C -1.525 174.704 176.094 0.225 0.000 1.099 584 V CA -0.738 61.749 62.300 0.313 0.000 0.920 584 V CB 2.074 33.997 31.823 0.166 0.000 1.014 584 V HN 0.106 nan 8.190 nan 0.000 0.425 585 R N 3.540 124.191 120.500 0.251 0.000 2.807 585 R HA 0.781 5.121 4.340 -0.000 0.000 0.276 585 R C -1.609 174.797 176.300 0.177 0.000 0.979 585 R CA -0.795 55.392 56.100 0.145 0.000 0.928 585 R CB 2.569 32.917 30.300 0.080 0.000 1.191 585 R HN 0.529 nan 8.270 nan 0.000 0.471 586 V N 2.794 122.784 119.914 0.127 0.000 2.370 586 V HA 0.346 4.466 4.120 -0.000 0.000 0.283 586 V C -0.260 175.948 176.094 0.189 0.000 1.023 586 V CA -0.620 61.762 62.300 0.136 0.000 0.857 586 V CB 1.591 33.449 31.823 0.058 0.000 0.985 586 V HN 0.411 nan 8.190 nan 0.000 0.443 587 V N 5.303 125.390 119.914 0.288 0.000 2.628 587 V HA 0.624 4.744 4.120 -0.000 0.000 0.306 587 V C -0.130 176.188 176.094 0.372 0.000 1.045 587 V CA -0.898 61.616 62.300 0.356 0.000 0.905 587 V CB 2.206 34.304 31.823 0.459 0.000 0.997 587 V HN 0.889 nan 8.190 nan 0.000 0.436 588 R N 3.072 123.740 120.500 0.281 0.000 2.437 588 R HA 0.505 4.845 4.340 -0.000 0.000 0.310 588 R C -0.689 175.716 176.300 0.176 0.000 0.955 588 R CA -0.298 55.889 56.100 0.144 0.000 0.851 588 R CB 1.416 31.742 30.300 0.044 0.000 1.161 588 R HN 0.800 nan 8.270 nan 0.000 0.446 589 Q N 4.433 124.305 119.800 0.118 0.000 2.316 589 Q HA 0.325 4.665 4.340 -0.000 0.000 0.264 589 Q C -1.424 174.500 176.000 -0.126 0.000 0.987 589 Q CA -0.626 55.242 55.803 0.109 0.000 0.852 589 Q CB 0.979 29.845 28.738 0.213 0.000 1.287 589 Q HN 0.612 nan 8.270 nan 0.000 0.448 590 F N 3.026 122.992 119.950 0.026 0.000 2.308 590 F HA 0.230 4.757 4.527 -0.000 0.000 0.370 590 F C -0.052 175.744 175.800 -0.006 0.000 1.100 590 F CA -0.548 57.462 58.000 0.016 0.000 1.108 590 F CB 0.859 39.873 39.000 0.022 0.000 1.293 590 F HN 0.587 nan 8.300 nan 0.000 0.478 591 H N 4.188 123.237 119.070 -0.034 0.000 2.761 591 H HA 0.190 4.746 4.556 -0.000 0.000 0.284 591 H C -0.691 174.473 175.328 -0.273 0.000 1.105 591 H CA -0.815 55.127 56.048 -0.177 0.000 1.352 591 H CB 0.462 30.059 29.762 -0.275 0.000 1.423 591 H HN 0.467 nan 8.280 nan 0.000 0.464 592 F N 5.160 125.099 119.950 -0.019 0.000 2.438 592 F HA 0.085 4.612 4.527 -0.000 0.000 0.356 592 F C 0.200 175.945 175.800 -0.092 0.000 1.099 592 F CA -0.220 57.742 58.000 -0.064 0.000 1.185 592 F CB 0.669 39.712 39.000 0.070 0.000 1.115 592 F HN 0.691 nan 8.300 nan 0.000 0.526 593 H N 3.594 122.403 119.070 -0.435 0.000 2.755 593 H HA 0.213 4.769 4.556 -0.000 0.000 0.273 593 H C 1.858 176.861 175.328 -0.541 0.000 1.055 593 H CA 0.597 56.421 56.048 -0.374 0.000 1.191 593 H CB 0.275 29.871 29.762 -0.277 0.000 1.536 593 H HN 0.789 nan 8.280 nan 0.000 0.529 594 G N -0.567 107.505 108.800 -1.214 0.000 2.956 594 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.207 594 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.207 594 G C -0.084 174.648 174.900 -0.280 0.000 1.162 594 G CA -0.169 44.427 45.100 -0.840 0.000 0.796 594 G HN 0.173 nan 8.290 nan 0.000 0.527 595 W N 1.569 122.744 121.300 -0.208 0.000 2.376 595 W HA 0.454 5.114 4.660 0.000 0.000 0.312 595 W C -2.406 174.091 176.519 -0.037 0.000 1.060 595 W CA -2.931 54.409 57.345 -0.008 0.000 1.221 595 W CB 1.555 31.090 29.460 0.126 0.000 1.281 595 W HN -0.035 nan 8.180 nan 0.000 0.456 596 P HA 0.139 nan 4.420 nan 0.000 0.269 596 P C 0.922 178.343 177.300 0.201 0.000 1.209 596 P CA 0.533 63.719 63.100 0.144 0.000 0.776 596 P CB 0.628 32.358 31.700 0.050 0.000 0.876 597 E N 1.574 121.840 120.200 0.109 0.000 2.085 597 E HA -0.071 4.279 4.350 -0.000 0.000 0.194 597 E C 1.154 177.803 176.600 0.081 0.000 0.994 597 E CA 1.910 58.359 56.400 0.082 0.000 0.801 597 E CB -1.042 28.686 29.700 0.047 0.000 0.743 597 E HN 0.618 nan 8.360 nan 0.000 0.453 598 I N -0.637 119.978 120.570 0.076 0.000 2.354 598 I HA 0.708 4.878 4.170 -0.000 0.000 0.286 598 I C 0.962 177.129 176.117 0.084 0.000 1.007 598 I CA -0.209 61.132 61.300 0.068 0.000 1.167 598 I CB 0.284 38.307 38.000 0.040 0.000 1.320 598 I HN 1.217 nan 8.210 nan 0.000 0.458 599 G N 3.786 112.658 108.800 0.121 0.000 2.710 599 G HA2 0.208 4.168 3.960 -0.000 0.000 0.668 599 G HA3 0.208 4.168 3.960 -0.000 0.000 0.668 599 G C -0.313 174.664 174.900 0.129 0.000 1.320 599 G CA -0.166 44.997 45.100 0.104 0.000 0.860 599 G HN 2.395 nan 8.290 nan 0.000 0.538 600 I N -1.273 119.262 120.570 -0.058 0.000 2.886 600 I HA 0.653 4.823 4.170 -0.000 0.000 0.299 600 I C -2.023 173.679 176.117 -0.693 0.000 1.044 600 I CA -2.271 58.738 61.300 -0.486 0.000 1.310 600 I CB 0.845 38.516 38.000 -0.548 0.000 1.441 600 I HN 0.368 nan 8.210 nan 0.000 0.578 601 P HA 0.135 nan 4.420 nan 0.000 0.271 601 P C 0.011 177.092 177.300 -0.365 0.000 1.216 601 P CA -0.235 62.455 63.100 -0.683 0.000 0.776 601 P CB 1.200 32.490 31.700 -0.684 0.000 0.881 602 A N 1.816 124.539 122.820 -0.162 0.000 2.119 602 A HA 0.054 4.374 4.320 -0.000 0.000 0.216 602 A C 1.863 179.461 177.584 0.025 0.000 1.152 602 A CA 1.825 53.830 52.037 -0.053 0.000 0.708 602 A CB -1.014 17.962 19.000 -0.040 0.000 0.805 602 A HN 0.570 nan 8.150 nan 0.000 0.460 603 E N -2.439 117.793 120.200 0.052 0.000 2.175 603 E HA 0.376 4.726 4.350 -0.000 0.000 0.193 603 E C 1.895 178.583 176.600 0.147 0.000 0.962 603 E CA 1.199 57.651 56.400 0.086 0.000 0.981 603 E CB -1.176 28.564 29.700 0.067 0.000 1.093 603 E HN 1.691 nan 8.360 nan 0.000 0.483 604 G N -0.699 108.227 108.800 0.209 0.000 2.317 604 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.227 604 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.227 604 G C 1.842 176.806 174.900 0.107 0.000 1.042 604 G CA 1.601 46.795 45.100 0.157 0.000 0.623 604 G HN 1.361 nan 8.290 nan 0.000 0.509 605 K N 0.418 120.880 120.400 0.103 0.000 2.020 605 K HA 0.156 4.476 4.320 -0.000 0.000 0.212 605 K C 3.314 179.995 176.600 0.135 0.000 1.050 605 K CA 2.598 58.944 56.287 0.099 0.000 0.929 605 K CB -1.530 31.018 32.500 0.080 0.000 0.714 605 K HN 1.699 nan 8.250 nan 0.000 0.443 606 G N 0.166 109.077 108.800 0.185 0.000 2.440 606 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.218 606 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.218 606 G C 1.777 176.869 174.900 0.320 0.000 1.154 606 G CA 1.601 46.875 45.100 0.291 0.000 0.767 606 G HN 0.505 nan 8.290 nan 0.000 0.552 607 M N 0.384 120.129 119.600 0.242 0.000 2.175 607 M HA 0.208 4.688 4.480 -0.000 0.000 0.264 607 M C 2.276 178.567 176.300 -0.016 0.000 1.063 607 M CA 0.978 56.298 55.300 0.033 0.000 1.119 607 M CB -0.355 32.301 32.600 0.093 0.000 1.377 607 M HN 0.240 nan 8.290 nan 0.000 0.415 608 I N 0.445 121.029 120.570 0.024 0.000 2.142 608 I HA -0.270 3.900 4.170 -0.000 0.000 0.240 608 I C 2.454 178.597 176.117 0.043 0.000 1.078 608 I CA 1.971 63.283 61.300 0.021 0.000 1.343 608 I CB -1.281 36.784 38.000 0.108 0.000 1.046 608 I HN 0.529 nan 8.210 nan 0.000 0.405 609 D N 0.768 121.219 120.400 0.086 0.000 2.144 609 D HA -0.209 4.431 4.640 -0.000 0.000 0.199 609 D C 2.044 178.390 176.300 0.077 0.000 0.984 609 D CA 1.497 55.554 54.000 0.095 0.000 0.834 609 D CB -0.619 40.254 40.800 0.122 0.000 0.955 609 D HN 0.223 nan 8.370 nan 0.000 0.465 610 L N 0.027 121.295 121.223 0.076 0.000 1.994 610 L HA -0.030 4.310 4.340 -0.000 0.000 0.208 610 L C 2.525 179.373 176.870 -0.037 0.000 1.071 610 L CA 1.622 56.478 54.840 0.027 0.000 0.745 610 L CB -0.440 41.579 42.059 -0.066 0.000 0.892 610 L HN 0.412 nan 8.230 nan 0.000 0.431 611 I N -0.247 120.309 120.570 -0.025 0.000 2.163 611 I HA -0.352 3.818 4.170 -0.000 0.000 0.243 611 I C 2.615 178.691 176.117 -0.069 0.000 1.085 611 I CA 1.375 62.627 61.300 -0.080 0.000 1.347 611 I CB -0.707 37.161 38.000 -0.221 0.000 1.044 611 I HN 0.422 nan 8.210 nan 0.000 0.408 612 A N 0.623 123.423 122.820 -0.033 0.000 1.940 612 A HA -0.203 4.117 4.320 -0.000 0.000 0.219 612 A C 2.502 180.087 177.584 0.002 0.000 1.176 612 A CA 2.025 54.065 52.037 0.005 0.000 0.631 612 A CB -0.771 18.259 19.000 0.051 0.000 0.814 612 A HN 0.476 nan 8.150 nan 0.000 0.446 613 A N -0.815 121.989 122.820 -0.027 0.000 1.897 613 A HA 0.079 4.399 4.320 -0.000 0.000 0.215 613 A C 2.204 179.696 177.584 -0.153 0.000 1.181 613 A CA 1.539 53.572 52.037 -0.008 0.000 0.620 613 A CB -0.801 18.253 19.000 0.088 0.000 0.821 613 A HN 0.359 nan 8.150 nan 0.000 0.443 614 V N -0.042 119.616 119.914 -0.426 0.000 2.343 614 V HA -0.283 3.837 4.120 -0.000 0.000 0.247 614 V C 3.310 179.384 176.094 -0.034 0.000 1.051 614 V CA 2.575 64.636 62.300 -0.399 0.000 1.036 614 V CB -1.337 30.308 31.823 -0.296 0.000 0.654 614 V HN 0.791 nan 8.190 nan 0.000 0.451 615 Q N 0.279 120.082 119.800 0.005 0.000 2.061 615 Q HA -0.320 4.020 4.340 -0.000 0.000 0.204 615 Q C 2.393 178.441 176.000 0.080 0.000 0.984 615 Q CA 3.227 59.068 55.803 0.062 0.000 0.846 615 Q CB -1.142 27.621 28.738 0.040 0.000 0.902 615 Q HN 0.733 nan 8.270 nan 0.000 0.421 616 K N 0.443 120.888 120.400 0.076 0.000 2.032 616 K HA -0.248 4.072 4.320 -0.000 0.000 0.209 616 K C 2.130 178.803 176.600 0.123 0.000 1.048 616 K CA 2.136 58.480 56.287 0.095 0.000 0.927 616 K CB -0.848 31.712 32.500 0.100 0.000 0.712 616 K HN 0.719 nan 8.250 nan 0.000 0.441 617 Q N -0.105 119.798 119.800 0.172 0.000 2.167 617 Q HA -0.145 4.195 4.340 -0.000 0.000 0.202 617 Q C 2.265 178.369 176.000 0.173 0.000 0.970 617 Q CA 2.061 57.990 55.803 0.211 0.000 0.855 617 Q CB -0.062 28.909 28.738 0.388 0.000 0.911 617 Q HN 0.667 nan 8.270 nan 0.000 0.438 618 Q N -0.763 119.134 119.800 0.162 0.000 2.311 618 Q HA -0.024 4.316 4.340 -0.000 0.000 0.203 618 Q C 2.017 178.104 176.000 0.145 0.000 0.954 618 Q CA 1.764 57.668 55.803 0.168 0.000 0.885 618 Q CB -0.093 28.759 28.738 0.190 0.000 0.963 618 Q HN 0.640 nan 8.270 nan 0.000 0.471 619 Q N -0.287 119.580 119.800 0.113 0.000 2.331 619 Q HA -0.056 4.284 4.340 -0.000 0.000 0.203 619 Q C 1.551 177.596 176.000 0.075 0.000 0.944 619 Q CA 1.401 57.254 55.803 0.084 0.000 0.892 619 Q CB -0.213 28.565 28.738 0.066 0.000 0.983 619 Q HN 0.641 nan 8.270 nan 0.000 0.482 620 Q N -0.798 119.050 119.800 0.080 0.000 2.274 620 Q HA 0.155 4.495 4.340 -0.000 0.000 0.198 620 Q C 1.834 177.863 176.000 0.048 0.000 0.955 620 Q CA 1.021 56.859 55.803 0.059 0.000 0.859 620 Q CB 0.245 29.016 28.738 0.055 0.000 0.956 620 Q HN 0.600 nan 8.270 nan 0.000 0.516 621 T N 1.206 115.793 114.554 0.055 0.000 3.667 621 T HA 0.333 4.683 4.350 -0.000 0.000 0.240 621 T C 0.535 175.322 174.700 0.146 0.000 0.919 621 T CA 0.077 62.181 62.100 0.008 0.000 0.928 621 T CB -0.939 67.914 68.868 -0.025 0.000 1.151 621 T HN 0.226 nan 8.240 nan 0.000 0.644 622 G N -0.008 108.878 108.800 0.144 0.000 2.483 622 G HA2 0.474 4.434 3.960 -0.000 0.000 0.248 622 G HA3 0.474 4.434 3.960 -0.000 0.000 0.248 622 G C 0.044 175.032 174.900 0.146 0.000 1.248 622 G CA 0.137 45.329 45.100 0.155 0.000 0.838 622 G HN 0.831 nan 8.290 nan 0.000 0.566 623 N N 1.216 119.936 118.700 0.034 0.000 2.716 623 N HA 0.393 5.133 4.740 -0.000 0.000 0.253 623 N C 0.070 175.658 175.510 0.129 0.000 1.170 623 N CA -0.697 52.451 53.050 0.163 0.000 0.807 623 N CB 0.264 38.846 38.487 0.159 0.000 1.183 623 N HN 0.681 nan 8.380 nan 0.000 0.524 624 H N 0.807 119.950 119.070 0.120 0.000 2.437 624 H HA 0.441 4.997 4.556 -0.000 0.000 0.338 624 H C -2.081 173.161 175.328 -0.143 0.000 1.495 624 H CA -1.433 54.641 56.048 0.043 0.000 1.453 624 H CB 1.462 31.261 29.762 0.061 0.000 1.707 624 H HN 0.416 nan 8.280 nan 0.000 0.655 625 P HA 0.099 nan 4.420 nan 0.000 0.271 625 P C -0.274 176.892 177.300 -0.223 0.000 1.218 625 P CA 0.457 63.427 63.100 -0.216 0.000 0.780 625 P CB 0.737 32.440 31.700 0.005 0.000 0.901 626 I N 1.531 121.893 120.570 -0.346 0.000 2.354 626 I HA 0.206 4.376 4.170 -0.000 0.000 0.292 626 I C 0.505 176.610 176.117 -0.021 0.000 0.989 626 I CA -0.509 60.708 61.300 -0.139 0.000 1.188 626 I CB 1.400 39.339 38.000 -0.101 0.000 1.342 626 I HN 0.114 nan 8.210 nan 0.000 0.457 627 T N 5.979 120.522 114.554 -0.017 0.000 2.747 627 T HA 0.313 4.663 4.350 -0.000 0.000 0.301 627 T C 0.008 174.725 174.700 0.029 0.000 0.952 627 T CA -0.310 61.763 62.100 -0.046 0.000 0.983 627 T CB 0.546 69.323 68.868 -0.153 0.000 0.930 627 T HN 0.228 nan 8.240 nan 0.000 0.494 628 V N 5.915 125.847 119.914 0.031 0.000 2.370 628 V HA 0.511 4.631 4.120 -0.000 0.000 0.283 628 V C -0.145 175.953 176.094 0.007 0.000 1.023 628 V CA -0.879 61.402 62.300 -0.033 0.000 0.857 628 V CB 0.615 32.409 31.823 -0.049 0.000 0.985 628 V HN 1.043 nan 8.190 nan 0.000 0.443 629 H N 2.109 121.117 119.070 -0.103 0.000 2.895 629 H HA 0.758 5.314 4.556 -0.000 0.000 0.373 629 H C 0.054 175.324 175.328 -0.097 0.000 1.174 629 H CA -0.387 55.608 56.048 -0.088 0.000 1.144 629 H CB 1.498 31.228 29.762 -0.054 0.000 1.793 629 H HN 0.609 nan 8.280 nan 0.000 0.551 630 C N 0.747 119.991 119.300 -0.092 0.000 2.982 630 C HA 0.627 5.087 4.460 -0.000 0.000 0.091 630 C C 1.684 176.684 174.990 0.016 0.000 2.445 630 C CA 0.699 59.634 59.018 -0.137 0.000 1.201 630 C CB 0.751 28.377 27.740 -0.190 0.000 2.073 630 C HN 0.798 nan 8.230 nan 0.000 0.508 631 S N -0.267 115.422 115.700 -0.018 0.000 3.608 631 S HA 0.377 4.847 4.470 -0.000 0.000 0.234 631 S C 1.895 176.485 174.600 -0.017 0.000 1.077 631 S CA 1.063 59.266 58.200 0.005 0.000 0.827 631 S CB -0.793 62.399 63.200 -0.012 0.000 0.964 631 S HN 0.952 nan 8.310 nan 0.000 0.547 632 A N 0.465 123.261 122.820 -0.040 0.000 1.933 632 A HA 0.383 4.703 4.320 -0.000 0.000 0.218 632 A C 1.863 179.424 177.584 -0.039 0.000 1.175 632 A CA 2.026 54.039 52.037 -0.041 0.000 0.628 632 A CB -1.195 17.775 19.000 -0.050 0.000 0.814 632 A HN 1.631 nan 8.150 nan 0.000 0.444 633 G N -3.338 105.437 108.800 -0.042 0.000 2.253 633 G HA2 0.330 4.290 3.960 -0.000 0.000 0.209 633 G HA3 0.330 4.290 3.960 -0.000 0.000 0.209 633 G C 0.197 175.069 174.900 -0.046 0.000 0.997 633 G CA 0.367 45.441 45.100 -0.045 0.000 0.640 633 G HN 1.882 nan 8.290 nan 0.000 0.496 634 A N -1.249 121.552 122.820 -0.033 0.000 2.549 634 A HA 1.024 5.344 4.320 -0.000 0.000 0.297 634 A C 0.838 178.418 177.584 -0.008 0.000 1.061 634 A CA 1.139 53.168 52.037 -0.013 0.000 0.690 634 A CB 1.087 20.096 19.000 0.016 0.000 1.287 634 A HN 2.106 nan 8.150 nan 0.000 0.402 635 G N 0.952 109.753 108.800 0.002 0.000 2.169 635 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.173 635 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.173 635 G C 1.012 175.888 174.900 -0.040 0.000 2.429 635 G CA 0.338 45.437 45.100 -0.001 0.000 1.467 635 G HN 0.725 nan 8.290 nan 0.000 0.454 636 R N 0.336 120.707 120.500 -0.215 0.000 2.062 636 R HA 0.132 4.472 4.340 -0.000 0.000 0.226 636 R C 2.776 179.025 176.300 -0.085 0.000 1.125 636 R CA 1.827 57.711 56.100 -0.361 0.000 0.966 636 R CB -0.747 29.078 30.300 -0.791 0.000 0.861 636 R HN 0.430 nan 8.270 nan 0.000 0.433 637 T N 0.270 114.764 114.554 -0.101 0.000 2.685 637 T HA -0.196 4.154 4.350 -0.000 0.000 0.268 637 T C 1.828 176.537 174.700 0.014 0.000 1.034 637 T CA 1.661 63.736 62.100 -0.041 0.000 1.149 637 T CB -0.581 68.248 68.868 -0.065 0.000 0.860 637 T HN 0.570 nan 8.240 nan 0.000 0.449 638 G N 1.001 109.809 108.800 0.014 0.000 2.414 638 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.215 638 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.215 638 G C 1.738 176.670 174.900 0.054 0.000 1.188 638 G CA 1.431 46.546 45.100 0.026 0.000 0.783 638 G HN 0.456 nan 8.290 nan 0.000 0.537 639 T N 0.934 115.574 114.554 0.144 0.000 2.653 639 T HA -0.230 4.120 4.350 -0.000 0.000 0.268 639 T C 1.942 176.713 174.700 0.120 0.000 1.035 639 T CA 1.520 63.746 62.100 0.211 0.000 1.154 639 T CB -0.359 68.814 68.868 0.509 0.000 0.862 639 T HN 0.246 nan 8.240 nan 0.000 0.441 640 F N 1.334 121.285 119.950 0.002 0.000 2.075 640 F HA -0.024 4.503 4.527 -0.000 0.000 0.297 640 F C 2.044 177.708 175.800 -0.227 0.000 1.113 640 F CA 1.022 58.966 58.000 -0.094 0.000 1.218 640 F CB -0.410 38.524 39.000 -0.110 0.000 0.984 640 F HN 0.082 nan 8.300 nan 0.000 0.472 641 I N 0.314 120.727 120.570 -0.262 0.000 2.142 641 I HA -0.322 3.848 4.170 -0.000 0.000 0.240 641 I C 2.747 178.612 176.117 -0.421 0.000 1.078 641 I CA 1.244 62.180 61.300 -0.608 0.000 1.343 641 I CB -1.065 36.581 38.000 -0.591 0.000 1.046 641 I HN 0.255 nan 8.210 nan 0.000 0.405 642 A N 1.008 123.681 122.820 -0.245 0.000 1.903 642 A HA -0.222 4.098 4.320 -0.000 0.000 0.219 642 A C 2.305 179.738 177.584 -0.253 0.000 1.191 642 A CA 1.802 53.728 52.037 -0.186 0.000 0.638 642 A CB -0.994 17.941 19.000 -0.109 0.000 0.823 642 A HN 0.422 nan 8.150 nan 0.000 0.451 643 L N -0.822 120.213 121.223 -0.313 0.000 2.109 643 L HA -0.105 4.235 4.340 -0.000 0.000 0.207 643 L C 2.830 179.442 176.870 -0.429 0.000 1.086 643 L CA 1.188 55.802 54.840 -0.377 0.000 0.760 643 L CB -0.387 41.442 42.059 -0.383 0.000 0.910 643 L HN 0.329 nan 8.230 nan 0.000 0.437 644 S N 0.194 115.586 115.700 -0.513 0.000 2.370 644 S HA -0.146 4.324 4.470 -0.000 0.000 0.226 644 S C 1.698 176.171 174.600 -0.212 0.000 1.033 644 S CA 1.407 59.362 58.200 -0.407 0.000 1.011 644 S CB -0.253 62.697 63.200 -0.417 0.000 0.852 644 S HN 0.462 nan 8.310 nan 0.000 0.457 645 N N 1.157 119.757 118.700 -0.165 0.000 2.250 645 N HA 0.171 4.911 4.740 -0.000 0.000 0.181 645 N C 1.639 177.025 175.510 -0.207 0.000 1.017 645 N CA 0.605 53.608 53.050 -0.079 0.000 0.866 645 N CB -0.344 38.160 38.487 0.028 0.000 0.985 645 N HN 0.352 nan 8.380 nan 0.000 0.429 646 I N 0.964 121.386 120.570 -0.247 0.000 2.179 646 I HA -0.220 3.950 4.170 -0.000 0.000 0.242 646 I C 2.010 177.914 176.117 -0.354 0.000 1.088 646 I CA 0.931 62.065 61.300 -0.277 0.000 1.357 646 I CB -0.157 37.672 38.000 -0.285 0.000 1.051 646 I HN 0.056 nan 8.210 nan 0.000 0.409 647 L N 0.581 121.541 121.223 -0.438 0.000 2.056 647 L HA -0.201 4.139 4.340 -0.000 0.000 0.207 647 L C 3.160 179.758 176.870 -0.454 0.000 1.078 647 L CA 1.707 56.191 54.840 -0.595 0.000 0.749 647 L CB -1.268 40.277 42.059 -0.857 0.000 0.901 647 L HN 0.333 nan 8.230 nan 0.000 0.433 648 E N 0.784 120.749 120.200 -0.391 0.000 2.114 648 E HA -0.329 4.021 4.350 -0.000 0.000 0.199 648 E C 2.246 178.494 176.600 -0.586 0.000 1.008 648 E CA 2.040 58.222 56.400 -0.363 0.000 0.810 648 E CB -0.711 28.839 29.700 -0.250 0.000 0.739 648 E HN 0.476 nan 8.360 nan 0.000 0.456 649 R N -0.630 119.387 120.500 -0.807 0.000 2.093 649 R HA 0.013 4.353 4.340 -0.000 0.000 0.224 649 R C 2.545 178.650 176.300 -0.326 0.000 1.101 649 R CA 1.088 56.694 56.100 -0.824 0.000 0.979 649 R CB -0.346 29.536 30.300 -0.696 0.000 0.877 649 R HN 0.348 nan 8.270 nan 0.000 0.441 650 V N 1.767 121.539 119.914 -0.237 0.000 2.255 650 V HA -0.307 3.813 4.120 -0.000 0.000 0.247 650 V C 2.895 178.986 176.094 -0.004 0.000 1.051 650 V CA 2.654 64.907 62.300 -0.078 0.000 1.018 650 V CB -0.749 31.058 31.823 -0.027 0.000 0.641 650 V HN 0.591 nan 8.190 nan 0.000 0.445 651 K N -0.228 120.177 120.400 0.009 0.000 2.032 651 K HA -0.149 4.171 4.320 -0.000 0.000 0.209 651 K C 2.185 178.792 176.600 0.012 0.000 1.048 651 K CA 2.178 58.506 56.287 0.069 0.000 0.927 651 K CB -1.303 31.253 32.500 0.093 0.000 0.712 651 K HN 0.637 nan 8.250 nan 0.000 0.441 652 A N 1.032 123.823 122.820 -0.048 0.000 1.897 652 A HA -0.082 4.238 4.320 -0.000 0.000 0.215 652 A C 2.077 179.686 177.584 0.043 0.000 1.181 652 A CA 1.737 53.781 52.037 0.011 0.000 0.620 652 A CB -0.018 19.015 19.000 0.056 0.000 0.821 652 A HN 0.678 nan 8.150 nan 0.000 0.443 653 E N -2.077 118.135 120.200 0.020 0.000 2.514 653 E HA 0.303 4.653 4.350 -0.000 0.000 0.215 653 E C 0.773 177.396 176.600 0.038 0.000 0.946 653 E CA 0.206 56.640 56.400 0.057 0.000 1.038 653 E CB 0.341 30.099 29.700 0.098 0.000 1.069 653 E HN 0.667 nan 8.360 nan 0.000 0.503 654 G N 2.391 111.203 108.800 0.019 0.000 2.295 654 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.287 654 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.287 654 G C -0.162 174.754 174.900 0.026 0.000 1.055 654 G CA 0.373 45.488 45.100 0.025 0.000 0.922 654 G HN 0.143 nan 8.290 nan 0.000 0.503 655 L N -0.803 120.429 121.223 0.016 0.000 2.422 655 L HA 0.768 5.108 4.340 -0.000 0.000 0.264 655 L C -0.230 176.643 176.870 0.005 0.000 0.984 655 L CA -1.028 53.829 54.840 0.029 0.000 0.819 655 L CB 2.514 44.607 42.059 0.056 0.000 1.330 655 L HN 0.193 nan 8.230 nan 0.000 0.410 656 L N 2.813 124.046 121.223 0.017 0.000 2.404 656 L HA 0.546 4.886 4.340 -0.000 0.000 0.272 656 L C -1.647 175.234 176.870 0.020 0.000 0.980 656 L CA -0.148 54.686 54.840 -0.010 0.000 0.836 656 L CB 1.758 43.812 42.059 -0.007 0.000 1.238 656 L HN 0.538 nan 8.230 nan 0.000 0.408 657 D N 3.988 124.391 120.400 0.005 0.000 2.363 657 D HA 0.176 4.816 4.640 -0.000 0.000 0.258 657 D C 0.712 177.017 176.300 0.008 0.000 1.259 657 D CA -0.207 53.827 54.000 0.058 0.000 0.921 657 D CB 1.883 42.751 40.800 0.114 0.000 1.201 657 D HN 0.327 nan 8.370 nan 0.000 0.524 658 V N 2.937 122.797 119.914 -0.091 0.000 2.515 658 V HA -0.169 3.950 4.120 -0.000 0.000 0.250 658 V C 2.129 178.249 176.094 0.043 0.000 1.058 658 V CA 1.112 63.270 62.300 -0.236 0.000 1.064 658 V CB -0.643 30.681 31.823 -0.832 0.000 0.675 658 V HN 0.478 nan 8.190 nan 0.000 0.461 659 F N 0.968 120.978 119.950 0.099 0.000 2.075 659 F HA -0.194 4.333 4.527 -0.000 0.000 0.297 659 F C 2.587 178.427 175.800 0.067 0.000 1.113 659 F CA 1.902 60.019 58.000 0.195 0.000 1.218 659 F CB -0.246 38.846 39.000 0.153 0.000 0.984 659 F HN 0.061 nan 8.300 nan 0.000 0.472 660 Q N 0.403 120.269 119.800 0.109 0.000 2.167 660 Q HA -0.075 4.265 4.340 -0.000 0.000 0.202 660 Q C 2.471 178.439 176.000 -0.053 0.000 0.970 660 Q CA 1.204 57.001 55.803 -0.010 0.000 0.855 660 Q CB -0.903 27.916 28.738 0.134 0.000 0.911 660 Q HN 0.550 nan 8.270 nan 0.000 0.438 661 A N 0.427 123.234 122.820 -0.021 0.000 1.865 661 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 661 A C 2.399 179.949 177.584 -0.056 0.000 1.191 661 A CA 1.956 53.972 52.037 -0.035 0.000 0.623 661 A CB -0.803 18.158 19.000 -0.065 0.000 0.826 661 A HN 0.216 nan 8.150 nan 0.000 0.444 662 V N 0.192 120.069 119.914 -0.061 0.000 2.358 662 V HA -0.236 3.884 4.120 -0.000 0.000 0.246 662 V C 2.513 178.520 176.094 -0.144 0.000 1.047 662 V CA 2.273 64.548 62.300 -0.042 0.000 1.035 662 V CB -0.727 31.162 31.823 0.109 0.000 0.658 662 V HN 0.688 nan 8.190 nan 0.000 0.452 663 K N 0.631 120.842 120.400 -0.315 0.000 2.074 663 K HA -0.244 4.075 4.320 -0.000 0.000 0.209 663 K C 2.356 178.856 176.600 -0.166 0.000 1.048 663 K CA 2.042 58.113 56.287 -0.360 0.000 0.926 663 K CB -0.434 31.712 32.500 -0.591 0.000 0.713 663 K HN 0.546 nan 8.250 nan 0.000 0.444 664 S N 1.176 116.815 115.700 -0.101 0.000 2.383 664 S HA -0.115 4.355 4.470 -0.000 0.000 0.229 664 S C 1.971 176.572 174.600 0.001 0.000 1.030 664 S CA 1.381 59.570 58.200 -0.019 0.000 1.002 664 S CB -0.444 62.768 63.200 0.020 0.000 0.829 664 S HN 0.260 nan 8.310 nan 0.000 0.467 665 L N 0.119 121.332 121.223 -0.016 0.000 2.093 665 L HA -0.088 4.252 4.340 -0.000 0.000 0.208 665 L C 2.803 179.684 176.870 0.020 0.000 1.085 665 L CA 0.712 55.554 54.840 0.004 0.000 0.755 665 L CB -0.234 41.818 42.059 -0.011 0.000 0.904 665 L HN 0.359 nan 8.230 nan 0.000 0.435 666 R N 0.043 120.536 120.500 -0.010 0.000 2.189 666 R HA -0.048 4.292 4.340 -0.000 0.000 0.218 666 R C 2.073 178.417 176.300 0.073 0.000 1.074 666 R CA 0.873 56.975 56.100 0.004 0.000 0.991 666 R CB -0.220 30.038 30.300 -0.070 0.000 0.883 666 R HN 0.391 nan 8.270 nan 0.000 0.457 667 L N 0.312 121.560 121.223 0.042 0.000 2.395 667 L HA -0.089 4.251 4.340 -0.000 0.000 0.218 667 L C 1.989 178.939 176.870 0.134 0.000 1.130 667 L CA 1.026 55.886 54.840 0.034 0.000 0.826 667 L CB -0.110 41.953 42.059 0.008 0.000 0.941 667 L HN 0.155 nan 8.230 nan 0.000 0.451 668 Q N -0.744 119.163 119.800 0.179 0.000 2.392 668 Q HA 0.189 4.529 4.340 -0.000 0.000 0.219 668 Q C 0.449 176.584 176.000 0.226 0.000 0.895 668 Q CA 0.100 56.011 55.803 0.180 0.000 0.929 668 Q CB 0.978 29.773 28.738 0.096 0.000 1.077 668 Q HN 0.209 nan 8.270 nan 0.000 0.532 669 R N 0.882 121.529 120.500 0.246 0.000 2.633 669 R HA 0.217 4.557 4.340 -0.000 0.000 0.255 669 R C -3.028 173.259 176.300 -0.021 0.000 1.106 669 R CA -1.681 54.440 56.100 0.036 0.000 0.959 669 R CB 1.668 31.936 30.300 -0.053 0.000 1.259 669 R HN -0.160 nan 8.270 nan 0.000 0.453 670 P HA 0.034 nan 4.420 nan 0.000 0.268 670 P C -0.933 176.286 177.300 -0.135 0.000 1.204 670 P CA 0.610 63.554 63.100 -0.259 0.000 0.768 670 P CB 0.307 31.801 31.700 -0.344 0.000 0.842 671 H N 0.506 119.572 119.070 -0.007 0.000 2.839 671 H HA -0.143 4.413 4.556 -0.000 0.000 0.298 671 H C 1.264 176.602 175.328 0.017 0.000 1.224 671 H CA 0.344 56.395 56.048 0.006 0.000 1.144 671 H CB -1.601 28.162 29.762 0.002 0.000 1.372 671 H HN 0.397 nan 8.280 nan 0.000 0.408 672 M N -0.122 119.521 119.600 0.072 0.000 2.091 672 M HA -0.046 4.434 4.480 -0.000 0.000 0.259 672 M C 1.313 177.672 176.300 0.098 0.000 1.076 672 M CA 1.199 56.535 55.300 0.058 0.000 1.111 672 M CB -0.216 32.399 32.600 0.024 0.000 1.291 672 M HN 0.067 nan 8.290 nan 0.000 0.417 673 V N 1.067 121.061 119.914 0.133 0.000 2.427 673 V HA -0.010 4.110 4.120 -0.000 0.000 0.268 673 V C 1.179 177.445 176.094 0.286 0.000 1.046 673 V CA 0.078 62.513 62.300 0.224 0.000 0.970 673 V CB 0.978 32.987 31.823 0.311 0.000 1.001 673 V HN 0.488 nan 8.190 nan 0.000 0.476 674 Q N 3.495 123.452 119.800 0.262 0.000 2.165 674 Q HA 0.029 4.369 4.340 -0.000 0.000 0.197 674 Q C 0.942 177.176 176.000 0.390 0.000 0.952 674 Q CA 1.033 57.000 55.803 0.272 0.000 0.848 674 Q CB 0.535 29.365 28.738 0.153 0.000 0.931 674 Q HN 0.893 nan 8.270 nan 0.000 0.470 675 T N -2.439 112.278 114.554 0.271 0.000 2.887 675 T HA 0.231 4.581 4.350 -0.000 0.000 0.288 675 T C 0.671 175.176 174.700 -0.326 0.000 1.021 675 T CA -0.787 61.362 62.100 0.080 0.000 1.000 675 T CB 1.421 70.325 68.868 0.061 0.000 1.034 675 T HN 0.137 nan 8.240 nan 0.000 0.467 676 L N 1.955 122.679 121.223 -0.832 0.000 2.189 676 L HA 0.023 4.363 4.340 -0.000 0.000 0.214 676 L C 2.736 179.469 176.870 -0.227 0.000 1.097 676 L CA 2.842 57.153 54.840 -0.883 0.000 0.764 676 L CB -1.280 40.430 42.059 -0.583 0.000 0.900 676 L HN 1.041 nan 8.230 nan 0.000 0.436 677 E N -1.038 119.109 120.200 -0.088 0.000 2.072 677 E HA -0.258 4.092 4.350 -0.000 0.000 0.191 677 E C 2.050 178.736 176.600 0.144 0.000 0.985 677 E CA 1.499 57.922 56.400 0.039 0.000 0.801 677 E CB -0.750 28.977 29.700 0.046 0.000 0.750 677 E HN 0.791 nan 8.360 nan 0.000 0.452 678 Q N -1.945 117.967 119.800 0.186 0.000 2.230 678 Q HA 0.014 4.354 4.340 -0.000 0.000 0.202 678 Q C 2.004 178.210 176.000 0.343 0.000 0.963 678 Q CA 1.159 57.165 55.803 0.338 0.000 0.866 678 Q CB -0.117 28.831 28.738 0.350 0.000 0.931 678 Q HN 0.745 nan 8.270 nan 0.000 0.452 679 Y N 1.148 121.522 120.300 0.124 0.000 2.206 679 Y HA -0.171 4.379 4.550 -0.000 0.000 0.292 679 Y C 2.512 178.544 175.900 0.220 0.000 1.123 679 Y CA 1.941 60.139 58.100 0.164 0.000 1.142 679 Y CB -0.248 38.305 38.460 0.156 0.000 1.006 679 Y HN 0.161 nan 8.280 nan 0.000 0.518 680 E N -0.160 120.195 120.200 0.258 0.000 2.204 680 E HA -0.230 4.120 4.350 -0.000 0.000 0.194 680 E C 1.843 178.557 176.600 0.191 0.000 0.989 680 E CA 1.263 57.788 56.400 0.208 0.000 0.824 680 E CB -1.464 28.323 29.700 0.145 0.000 0.756 680 E HN 0.606 nan 8.360 nan 0.000 0.477 681 F N 0.211 120.182 119.950 0.036 0.000 2.259 681 F HA -0.053 4.474 4.527 -0.000 0.000 0.298 681 F C 2.287 178.060 175.800 -0.045 0.000 1.088 681 F CA 0.919 58.912 58.000 -0.012 0.000 1.358 681 F CB -0.522 38.460 39.000 -0.029 0.000 1.040 681 F HN 0.317 nan 8.300 nan 0.000 0.505 682 C N -0.371 118.793 119.300 -0.227 0.000 2.446 682 C HA -0.177 4.283 4.460 -0.000 0.000 0.277 682 C C 2.552 177.294 174.990 -0.412 0.000 1.275 682 C CA 0.893 59.663 59.018 -0.414 0.000 1.727 682 C CB -1.596 25.905 27.740 -0.399 0.000 2.010 682 C HN 0.508 nan 8.230 nan 0.000 0.486 683 Y N 1.764 121.895 120.300 -0.281 0.000 2.200 683 Y HA -0.111 4.439 4.550 -0.000 0.000 0.290 683 Y C 2.688 178.486 175.900 -0.168 0.000 1.137 683 Y CA 2.113 60.093 58.100 -0.199 0.000 1.163 683 Y CB -0.768 37.604 38.460 -0.148 0.000 0.988 683 Y HN 0.317 nan 8.280 nan 0.000 0.518 684 K N 0.215 120.609 120.400 -0.009 0.000 2.063 684 K HA -0.138 4.182 4.320 -0.000 0.000 0.208 684 K C 2.114 178.631 176.600 -0.140 0.000 1.048 684 K CA 1.985 58.249 56.287 -0.037 0.000 0.928 684 K CB -1.532 30.995 32.500 0.045 0.000 0.713 684 K HN 0.233 nan 8.250 nan 0.000 0.442 685 V N 0.714 120.412 119.914 -0.360 0.000 2.307 685 V HA -0.210 3.910 4.120 -0.000 0.000 0.245 685 V C 2.497 178.495 176.094 -0.160 0.000 1.045 685 V CA 1.561 63.654 62.300 -0.344 0.000 1.024 685 V CB -0.162 31.305 31.823 -0.593 0.000 0.651 685 V HN 0.395 nan 8.190 nan 0.000 0.449 686 V N 0.039 119.846 119.914 -0.178 0.000 2.282 686 V HA -0.375 3.745 4.120 -0.000 0.000 0.249 686 V C 3.066 179.187 176.094 0.045 0.000 1.057 686 V CA 2.874 65.130 62.300 -0.072 0.000 1.032 686 V CB -1.258 30.490 31.823 -0.124 0.000 0.645 686 V HN 0.729 nan 8.190 nan 0.000 0.447 687 Q N -0.252 119.559 119.800 0.020 0.000 2.030 687 Q HA -0.316 4.024 4.340 -0.000 0.000 0.204 687 Q C 1.983 178.001 176.000 0.031 0.000 0.986 687 Q CA 2.987 58.810 55.803 0.034 0.000 0.843 687 Q CB -1.832 26.924 28.738 0.029 0.000 0.904 687 Q HN 0.843 nan 8.270 nan 0.000 0.420 688 D N -1.060 119.355 120.400 0.025 0.000 2.264 688 D HA 0.008 4.648 4.640 -0.000 0.000 0.208 688 D C 1.606 177.933 176.300 0.046 0.000 0.966 688 D CA 1.116 55.131 54.000 0.025 0.000 0.864 688 D CB -0.460 40.353 40.800 0.023 0.000 0.933 688 D HN 0.630 nan 8.370 nan 0.000 0.499 689 F N 0.025 119.933 119.950 -0.070 0.000 2.456 689 F HA 0.198 4.725 4.527 0.000 0.000 0.298 689 F C 1.887 177.655 175.800 -0.054 0.000 1.104 689 F CA 0.461 58.419 58.000 -0.069 0.000 1.435 689 F CB 0.122 39.063 39.000 -0.098 0.000 1.078 689 F HN 0.134 nan 8.300 nan 0.000 0.546 690 I N 0.402 120.916 120.570 -0.094 0.000 2.500 690 I HA -0.018 4.152 4.170 -0.000 0.000 0.252 690 I C 1.489 177.500 176.117 -0.175 0.000 1.142 690 I CA 0.863 62.072 61.300 -0.152 0.000 1.451 690 I CB -1.097 36.886 38.000 -0.028 0.000 1.093 690 I HN 0.209 nan 8.210 nan 0.000 0.430 691 D N 0.000 120.325 120.400 -0.126 0.000 6.856 691 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 691 D CA 0.000 53.939 54.000 -0.102 0.000 0.868 691 D CB 0.000 40.768 40.800 -0.054 0.000 0.688 691 D HN 0.000 nan 8.370 nan 0.000 0.683