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_C DATA FIRST_RESID 111 DATA SEQUENCE KYFPIPVEHL EEEIRIRSXX XXKQFREEFN 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 SMXXXXXYTD 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 0.000 176.281 176.600 -0.531 0.000 0.988 111 K CA 0.000 56.050 56.287 -0.395 0.000 0.838 111 K CB 0.000 32.164 32.500 -0.560 0.000 1.064 112 Y N 1.189 121.363 120.300 -0.211 0.000 2.595 112 Y HA 0.612 5.162 4.550 -0.001 0.000 0.336 112 Y C 0.713 176.576 175.900 -0.062 0.000 0.996 112 Y CA -0.922 57.054 58.100 -0.206 0.000 1.260 112 Y CB 0.293 38.445 38.460 -0.513 0.000 1.108 112 Y HN 0.416 nan 8.280 nan 0.000 0.509 113 F N 2.168 122.173 119.950 0.090 0.000 2.380 113 F HA 0.750 5.277 4.527 -0.001 0.000 0.319 113 F C -2.134 173.750 175.800 0.140 0.000 1.113 113 F CA -3.491 54.568 58.000 0.099 0.000 1.056 113 F CB -0.021 39.005 39.000 0.043 0.000 1.289 113 F HN 0.263 nan 8.300 nan 0.000 0.515 114 P HA 0.391 nan 4.420 nan 0.000 0.268 114 P C -0.690 176.674 177.300 0.107 0.000 1.205 114 P CA 0.317 63.493 63.100 0.127 0.000 0.771 114 P CB 0.520 32.281 31.700 0.101 0.000 0.858 115 I N 4.802 125.442 120.570 0.116 0.000 2.315 115 I HA 0.243 4.412 4.170 -0.001 0.000 0.291 115 I C -2.117 174.036 176.117 0.060 0.000 1.006 115 I CA -2.522 58.841 61.300 0.105 0.000 1.265 115 I CB 1.278 39.366 38.000 0.146 0.000 1.387 115 I HN 0.127 nan 8.210 nan 0.000 0.475 116 P HA -0.025 nan 4.420 nan 0.000 0.271 116 P C 1.119 178.368 177.300 -0.086 0.000 1.216 116 P CA -0.279 62.832 63.100 0.017 0.000 0.771 116 P CB 0.793 32.555 31.700 0.103 0.000 0.864 117 V N 0.764 120.544 119.914 -0.224 0.000 2.469 117 V HA -0.272 3.847 4.120 -0.001 0.000 0.251 117 V C 2.307 178.109 176.094 -0.486 0.000 1.064 117 V CA 2.241 64.253 62.300 -0.480 0.000 1.066 117 V CB -2.291 29.074 31.823 -0.764 0.000 0.667 117 V HN 0.483 nan 8.190 nan 0.000 0.461 118 E N 0.401 120.396 120.200 -0.342 0.000 2.147 118 E HA -0.303 4.046 4.350 -0.001 0.000 0.199 118 E C 1.905 178.248 176.600 -0.428 0.000 1.005 118 E CA 2.151 58.328 56.400 -0.372 0.000 0.810 118 E CB -1.053 28.344 29.700 -0.505 0.000 0.736 118 E HN 0.957 nan 8.360 nan 0.000 0.460 119 H N -1.713 117.315 119.070 -0.069 0.000 2.528 119 H HA 0.267 4.822 4.556 -0.001 0.000 0.282 119 H C 1.675 176.980 175.328 -0.037 0.000 1.097 119 H CA 0.185 56.210 56.048 -0.039 0.000 1.121 119 H CB 0.558 30.303 29.762 -0.028 0.000 1.590 119 H HN 0.302 nan 8.280 nan 0.000 0.553 120 L N 2.086 123.307 121.223 -0.003 0.000 2.005 120 L HA -0.133 4.206 4.340 -0.001 0.000 0.207 120 L C 2.581 179.482 176.870 0.052 0.000 1.072 120 L CA 2.575 57.425 54.840 0.017 0.000 0.744 120 L CB -0.926 41.085 42.059 -0.080 0.000 0.895 120 L HN 0.368 nan 8.230 nan 0.000 0.433 121 E N -0.258 119.970 120.200 0.046 0.000 2.114 121 E HA -0.297 4.053 4.350 -0.001 0.000 0.199 121 E C 2.082 178.707 176.600 0.042 0.000 1.008 121 E CA 2.399 58.831 56.400 0.054 0.000 0.810 121 E CB -1.493 28.237 29.700 0.051 0.000 0.739 121 E HN 0.724 nan 8.360 nan 0.000 0.456 122 E N -0.121 120.106 120.200 0.045 0.000 2.047 122 E HA -0.017 4.332 4.350 -0.001 0.000 0.191 122 E C 2.295 178.893 176.600 -0.003 0.000 0.987 122 E CA 2.274 58.692 56.400 0.030 0.000 0.799 122 E CB -1.257 28.476 29.700 0.055 0.000 0.752 122 E HN 0.904 nan 8.360 nan 0.000 0.449 123 E N 0.720 120.920 120.200 -0.001 0.000 2.204 123 E HA -0.047 4.303 4.350 -0.001 0.000 0.195 123 E C 2.062 178.581 176.600 -0.135 0.000 0.990 123 E CA 1.163 57.527 56.400 -0.061 0.000 0.821 123 E CB -0.513 29.171 29.700 -0.028 0.000 0.750 123 E HN 0.553 nan 8.360 nan 0.000 0.477 124 I N 0.770 121.307 120.570 -0.055 0.000 2.179 124 I HA -0.214 3.955 4.170 -0.001 0.000 0.242 124 I C 3.197 179.281 176.117 -0.055 0.000 1.088 124 I CA 1.802 63.086 61.300 -0.027 0.000 1.357 124 I CB -1.520 36.539 38.000 0.099 0.000 1.051 124 I HN 0.524 nan 8.210 nan 0.000 0.409 125 R N 0.877 121.361 120.500 -0.028 0.000 2.083 125 R HA -0.157 4.182 4.340 -0.001 0.000 0.237 125 R C 2.342 178.601 176.300 -0.068 0.000 1.137 125 R CA 1.916 58.001 56.100 -0.024 0.000 0.951 125 R CB -1.870 28.426 30.300 -0.007 0.000 0.851 125 R HN 0.271 nan 8.270 nan 0.000 0.434 126 I N 1.156 121.666 120.570 -0.099 0.000 2.208 126 I HA -0.143 4.027 4.170 -0.001 0.000 0.245 126 I C 1.753 177.761 176.117 -0.182 0.000 1.097 126 I CA 1.136 62.365 61.300 -0.119 0.000 1.363 126 I CB -0.851 37.077 38.000 -0.119 0.000 1.051 126 I HN 0.526 nan 8.210 nan 0.000 0.413 127 R N 0.675 120.977 120.500 -0.331 0.000 4.792 127 R HA 0.361 4.700 4.340 -0.001 0.000 0.205 127 R C -0.302 175.813 176.300 -0.309 0.000 1.875 127 R CA 0.085 55.869 56.100 -0.527 0.000 1.588 127 R CB -0.086 29.427 30.300 -1.311 0.000 1.401 127 R HN 0.460 nan 8.270 nan 0.000 0.834 134 Q N -0.690 119.127 119.800 0.027 0.000 2.339 134 Q HA 0.296 4.636 4.340 -0.001 0.000 0.205 134 Q C 1.694 177.759 176.000 0.108 0.000 0.925 134 Q CA 0.679 56.497 55.803 0.025 0.000 0.898 134 Q CB 0.130 28.827 28.738 -0.068 0.000 1.013 134 Q HN 0.432 nan 8.270 nan 0.000 0.504 135 F N 1.640 121.640 119.950 0.084 0.000 2.126 135 F HA -0.182 4.345 4.527 -0.001 0.000 0.299 135 F C 2.261 178.159 175.800 0.163 0.000 1.096 135 F CA 1.307 59.382 58.000 0.126 0.000 1.255 135 F CB -0.271 38.789 39.000 0.100 0.000 0.997 135 F HN -0.004 nan 8.300 nan 0.000 0.479 136 R N -0.088 120.615 120.500 0.338 0.000 2.091 136 R HA -0.193 4.147 4.340 -0.001 0.000 0.238 136 R C 2.432 178.877 176.300 0.242 0.000 1.136 136 R CA 1.851 58.103 56.100 0.253 0.000 0.959 136 R CB -0.894 29.510 30.300 0.174 0.000 0.856 136 R HN 0.429 nan 8.270 nan 0.000 0.437 137 E N 1.330 121.651 120.200 0.201 0.000 2.106 137 E HA -0.229 4.120 4.350 -0.001 0.000 0.192 137 E C 1.690 178.410 176.600 0.201 0.000 0.984 137 E CA 1.426 57.932 56.400 0.177 0.000 0.806 137 E CB -0.529 29.263 29.700 0.153 0.000 0.750 137 E HN 0.620 nan 8.360 nan 0.000 0.458 138 E N -1.200 119.129 120.200 0.216 0.000 2.051 138 E HA -0.150 4.199 4.350 -0.001 0.000 0.192 138 E C 1.976 178.581 176.600 0.008 0.000 0.991 138 E CA 1.373 57.768 56.400 -0.009 0.000 0.799 138 E CB -0.335 29.320 29.700 -0.074 0.000 0.748 138 E HN 0.536 nan 8.360 nan 0.000 0.449 139 F N 2.096 121.960 119.950 -0.143 0.000 2.161 139 F HA -0.156 4.370 4.527 -0.001 0.000 0.300 139 F C 1.666 177.379 175.800 -0.145 0.000 1.089 139 F CA 1.484 59.273 58.000 -0.353 0.000 1.282 139 F CB -0.207 38.618 39.000 -0.291 0.000 1.010 139 F HN 0.049 nan 8.300 nan 0.000 0.485 140 N N -0.265 118.387 118.700 -0.080 0.000 2.521 140 N HA -0.050 4.690 4.740 -0.001 0.000 0.188 140 N C 1.415 176.878 175.510 -0.078 0.000 1.146 140 N CA 0.969 53.943 53.050 -0.126 0.000 0.893 140 N CB -0.169 38.336 38.487 0.030 0.000 0.975 140 N HN 0.214 nan 8.380 nan 0.000 0.451 141 S N -0.116 115.590 115.700 0.010 0.000 2.535 141 S HA 0.240 4.710 4.470 -0.001 0.000 0.214 141 S C 0.804 175.498 174.600 0.157 0.000 0.980 141 S CA -0.325 57.959 58.200 0.141 0.000 0.907 141 S CB 0.634 64.008 63.200 0.289 0.000 0.790 141 S HN 0.193 nan 8.310 nan 0.000 0.510 142 L N 3.224 124.398 121.223 -0.081 0.000 2.461 142 L HA 0.218 4.558 4.340 -0.001 0.000 0.272 142 L C -2.135 174.605 176.870 -0.218 0.000 1.197 142 L CA -1.450 53.201 54.840 -0.315 0.000 0.836 142 L CB -0.142 41.602 42.059 -0.526 0.000 1.105 142 L HN 0.039 nan 8.230 nan 0.000 0.477 143 P HA 0.244 nan 4.420 nan 0.000 0.292 143 P C -0.813 176.419 177.300 -0.114 0.000 1.287 143 P CA -0.473 62.560 63.100 -0.110 0.000 0.800 143 P CB 1.193 32.846 31.700 -0.079 0.000 0.945 144 S N 1.825 117.492 115.700 -0.054 0.000 2.422 144 S HA 0.415 4.884 4.470 -0.001 0.000 0.283 144 S C 1.266 175.886 174.600 0.033 0.000 1.163 144 S CA -0.388 57.819 58.200 0.012 0.000 1.054 144 S CB -0.399 62.876 63.200 0.125 0.000 0.967 144 S HN 0.562 nan 8.310 nan 0.000 0.499 145 G N 1.727 110.479 108.800 -0.080 0.000 3.337 145 G HA2 0.101 4.061 3.960 -0.001 0.000 0.226 145 G HA3 0.101 4.061 3.960 -0.001 0.000 0.226 145 G C 0.823 175.692 174.900 -0.051 0.000 1.295 145 G CA 0.039 45.094 45.100 -0.075 0.000 1.427 145 G HN 0.902 nan 8.290 nan 0.000 0.535 146 H N -0.132 118.993 119.070 0.091 0.000 2.431 146 H HA 0.120 4.675 4.556 -0.001 0.000 0.295 146 H C 2.352 177.773 175.328 0.155 0.000 1.038 146 H CA 0.302 56.427 56.048 0.129 0.000 1.360 146 H CB 0.474 30.211 29.762 -0.041 0.000 1.433 146 H HN 0.415 nan 8.280 nan 0.000 0.536 147 I N 1.365 122.049 120.570 0.190 0.000 2.394 147 I HA -0.188 3.981 4.170 -0.001 0.000 0.251 147 I C 0.976 177.150 176.117 0.096 0.000 1.136 147 I CA 0.931 62.303 61.300 0.120 0.000 1.425 147 I CB 0.054 38.096 38.000 0.069 0.000 1.079 147 I HN 0.110 nan 8.210 nan 0.000 0.425 148 Q N 0.770 120.615 119.800 0.076 0.000 2.296 148 Q HA 0.506 4.845 4.340 -0.001 0.000 0.273 148 Q C 0.249 176.245 176.000 -0.007 0.000 0.900 148 Q CA 0.017 55.831 55.803 0.018 0.000 0.993 148 Q CB 0.145 28.875 28.738 -0.014 0.000 1.132 148 Q HN 0.599 nan 8.270 nan 0.000 0.439 149 G N -0.599 108.221 108.800 0.035 0.000 2.646 149 G HA2 0.552 4.512 3.960 -0.001 0.000 0.291 149 G HA3 0.552 4.512 3.960 -0.001 0.000 0.291 149 G C -1.020 173.803 174.900 -0.130 0.000 1.445 149 G CA -0.532 44.495 45.100 -0.122 0.000 0.814 149 G HN 0.130 nan 8.290 nan 0.000 0.495 150 T N 0.120 114.448 114.554 -0.376 0.000 2.888 150 T HA 0.583 4.933 4.350 -0.001 0.000 0.284 150 T C -0.825 173.554 174.700 -0.535 0.000 1.017 150 T CA -0.143 61.826 62.100 -0.218 0.000 1.022 150 T CB 1.376 70.180 68.868 -0.106 0.000 1.013 150 T HN 0.324 nan 8.240 nan 0.000 0.465 151 F N -0.087 119.888 119.950 0.042 0.000 2.733 151 F HA 0.361 4.888 4.527 -0.001 0.000 0.380 151 F C 1.693 177.506 175.800 0.022 0.000 1.324 151 F CA -0.596 57.431 58.000 0.044 0.000 1.178 151 F CB -0.452 38.581 39.000 0.056 0.000 1.093 151 F HN 0.737 nan 8.300 nan 0.000 0.512 152 E N 0.898 121.163 120.200 0.108 0.000 2.031 152 E HA -0.104 4.246 4.350 -0.001 0.000 0.193 152 E C 2.404 179.018 176.600 0.023 0.000 0.994 152 E CA 1.969 58.406 56.400 0.061 0.000 0.800 152 E CB -0.896 28.824 29.700 0.034 0.000 0.752 152 E HN 0.345 nan 8.360 nan 0.000 0.447 153 L N 0.384 121.616 121.223 0.014 0.000 2.141 153 L HA 0.540 4.879 4.340 -0.001 0.000 0.209 153 L C 3.013 179.770 176.870 -0.188 0.000 1.094 153 L CA 2.419 57.236 54.840 -0.039 0.000 0.763 153 L CB -1.561 40.520 42.059 0.037 0.000 0.908 153 L HN 0.716 nan 8.230 nan 0.000 0.437 154 A N -0.195 122.581 122.820 -0.074 0.000 1.969 154 A HA -0.179 4.141 4.320 -0.001 0.000 0.218 154 A C 2.017 179.496 177.584 -0.174 0.000 1.169 154 A CA 1.702 53.645 52.037 -0.157 0.000 0.635 154 A CB -0.666 18.459 19.000 0.209 0.000 0.810 154 A HN 0.752 nan 8.150 nan 0.000 0.445 155 N N -0.303 118.359 118.700 -0.064 0.000 2.336 155 N HA 0.094 4.834 4.740 -0.001 0.000 0.189 155 N C -0.131 175.333 175.510 -0.077 0.000 1.113 155 N CA 0.040 53.060 53.050 -0.049 0.000 0.858 155 N CB 0.168 38.659 38.487 0.007 0.000 0.970 155 N HN 0.363 nan 8.380 nan 0.000 0.471 156 K N 1.000 121.327 120.400 -0.121 0.000 2.527 156 K HA -0.045 4.274 4.320 -0.001 0.000 0.278 156 K C 1.487 178.031 176.600 -0.093 0.000 0.981 156 K CA 0.479 56.706 56.287 -0.101 0.000 1.009 156 K CB 0.457 32.885 32.500 -0.121 0.000 0.895 156 K HN 0.313 nan 8.250 nan 0.000 0.493 157 E N 2.969 123.134 120.200 -0.058 0.000 2.065 157 E HA -0.305 4.044 4.350 -0.001 0.000 0.201 157 E C 2.215 178.785 176.600 -0.051 0.000 1.016 157 E CA 2.361 58.733 56.400 -0.046 0.000 0.818 157 E CB -1.190 28.492 29.700 -0.030 0.000 0.749 157 E HN 0.787 nan 8.360 nan 0.000 0.453 158 E N 1.261 121.431 120.200 -0.050 0.000 2.147 158 E HA -0.277 4.072 4.350 -0.001 0.000 0.199 158 E C 1.953 178.520 176.600 -0.055 0.000 1.005 158 E CA 1.717 58.092 56.400 -0.042 0.000 0.810 158 E CB -0.833 28.847 29.700 -0.033 0.000 0.736 158 E HN 0.581 nan 8.360 nan 0.000 0.460 159 N N -0.839 117.791 118.700 -0.117 0.000 2.398 159 N HA 0.063 4.803 4.740 -0.001 0.000 0.188 159 N C 2.009 177.453 175.510 -0.111 0.000 1.122 159 N CA 1.001 53.948 53.050 -0.172 0.000 0.866 159 N CB 0.038 38.204 38.487 -0.535 0.000 0.970 159 N HN 0.587 nan 8.380 nan 0.000 0.462 160 R N 1.324 121.778 120.500 -0.077 0.000 2.083 160 R HA -0.116 4.224 4.340 -0.001 0.000 0.237 160 R C 2.072 178.360 176.300 -0.019 0.000 1.137 160 R CA 2.084 58.158 56.100 -0.045 0.000 0.951 160 R CB -1.902 28.375 30.300 -0.037 0.000 0.851 160 R HN 0.512 nan 8.270 nan 0.000 0.434 161 E N 1.552 121.742 120.200 -0.016 0.000 2.478 161 E HA -0.061 4.289 4.350 -0.001 0.000 0.198 161 E C 1.897 178.496 176.600 -0.002 0.000 1.046 161 E CA 1.189 57.580 56.400 -0.015 0.000 0.870 161 E CB -0.416 29.274 29.700 -0.016 0.000 0.818 161 E HN 0.818 nan 8.360 nan 0.000 0.527 162 K N 0.214 120.637 120.400 0.038 0.000 2.393 162 K HA 0.107 4.427 4.320 -0.001 0.000 0.193 162 K C -0.043 176.613 176.600 0.095 0.000 1.026 162 K CA -0.175 56.163 56.287 0.085 0.000 1.064 162 K CB 0.421 33.042 32.500 0.203 0.000 0.833 162 K HN 0.133 nan 8.250 nan 0.000 0.521 163 N N 1.295 120.041 118.700 0.077 0.000 2.430 163 N HA 0.110 4.850 4.740 -0.001 0.000 0.292 163 N C 0.281 175.768 175.510 -0.037 0.000 1.051 163 N CA -0.120 52.968 53.050 0.063 0.000 0.917 163 N CB 1.891 40.441 38.487 0.105 0.000 1.164 163 N HN 0.015 nan 8.380 nan 0.000 0.484 164 R N 1.711 122.152 120.500 -0.098 0.000 2.062 164 R HA 0.037 4.377 4.340 -0.001 0.000 0.226 164 R C -0.321 175.685 176.300 -0.490 0.000 1.125 164 R CA 1.165 57.069 56.100 -0.326 0.000 0.966 164 R CB 0.202 30.254 30.300 -0.414 0.000 0.861 164 R HN 0.517 nan 8.270 nan 0.000 0.433 165 Y N 0.147 120.453 120.300 0.010 0.000 2.328 165 Y HA 0.335 4.884 4.550 -0.000 0.000 0.336 165 Y C -1.725 174.186 175.900 0.018 0.000 0.960 165 Y CA -2.810 55.297 58.100 0.012 0.000 1.134 165 Y CB 2.001 40.468 38.460 0.012 0.000 1.166 165 Y HN 0.090 nan 8.280 nan 0.000 0.464 166 P HA -0.023 nan 4.420 nan 0.000 0.241 166 P C 0.151 177.488 177.300 0.060 0.000 1.191 166 P CA 0.984 64.129 63.100 0.074 0.000 0.771 166 P CB 0.615 32.336 31.700 0.035 0.000 0.929 167 N N 0.044 118.791 118.700 0.078 0.000 2.392 167 N HA 0.094 4.833 4.740 -0.001 0.000 0.177 167 N C 0.662 176.219 175.510 0.078 0.000 1.066 167 N CA 0.396 53.467 53.050 0.034 0.000 0.895 167 N CB 0.516 39.007 38.487 0.007 0.000 0.988 167 N HN 0.289 nan 8.380 nan 0.000 0.457 168 I N 2.208 122.847 120.570 0.116 0.000 2.347 168 I HA 0.291 4.460 4.170 -0.001 0.000 0.283 168 I C -0.720 175.483 176.117 0.143 0.000 1.058 168 I CA -0.132 61.238 61.300 0.117 0.000 1.202 168 I CB 0.537 38.592 38.000 0.092 0.000 1.386 168 I HN -0.271 nan 8.210 nan 0.000 0.475 169 L N 7.414 128.735 121.223 0.163 0.000 2.388 169 L HA 0.638 4.977 4.340 -0.001 0.000 0.264 169 L C -2.506 174.553 176.870 0.315 0.000 0.998 169 L CA -1.970 53.015 54.840 0.241 0.000 0.817 169 L CB 2.598 44.813 42.059 0.261 0.000 1.338 169 L HN 0.245 nan 8.230 nan 0.000 0.414 170 P HA 0.141 nan 4.420 nan 0.000 0.279 170 P C -1.287 176.085 177.300 0.119 0.000 1.239 170 P CA -0.498 62.700 63.100 0.164 0.000 0.789 170 P CB 0.707 32.452 31.700 0.074 0.000 0.933 171 N N 1.390 120.020 118.700 -0.118 0.000 2.399 171 N HA -0.012 4.727 4.740 -0.001 0.000 0.250 171 N C 0.452 175.834 175.510 -0.213 0.000 1.272 171 N CA 0.097 52.824 53.050 -0.538 0.000 0.928 171 N CB -0.150 37.960 38.487 -0.628 0.000 1.158 171 N HN 0.239 nan 8.380 nan 0.000 0.463 172 D N -1.180 119.090 120.400 -0.216 0.000 2.219 172 D HA -0.158 4.481 4.640 -0.001 0.000 0.205 172 D C 1.242 177.538 176.300 -0.006 0.000 0.970 172 D CA 1.281 55.246 54.000 -0.058 0.000 0.851 172 D CB -0.230 40.543 40.800 -0.045 0.000 0.943 172 D HN 0.768 nan 8.370 nan 0.000 0.488 173 H N 0.313 119.327 119.070 -0.093 0.000 2.372 173 H HA 0.079 4.634 4.556 -0.001 0.000 0.301 173 H C 1.255 176.585 175.328 0.004 0.000 1.065 173 H CA 1.526 57.546 56.048 -0.046 0.000 1.364 173 H CB 0.325 30.049 29.762 -0.064 0.000 1.406 173 H HN -0.126 nan 8.280 nan 0.000 0.521 174 S N 0.586 116.335 115.700 0.082 0.000 2.572 174 S HA 0.148 4.618 4.470 -0.001 0.000 0.228 174 S C 0.605 175.250 174.600 0.075 0.000 0.963 174 S CA -0.485 57.784 58.200 0.114 0.000 0.939 174 S CB 0.188 63.475 63.200 0.145 0.000 0.804 174 S HN 0.275 nan 8.310 nan 0.000 0.480 175 R N 2.235 122.740 120.500 0.008 0.000 2.585 175 R HA 0.094 4.434 4.340 -0.001 0.000 0.275 175 R C -0.596 175.632 176.300 -0.120 0.000 1.018 175 R CA 0.204 56.271 56.100 -0.056 0.000 1.072 175 R CB 0.284 30.582 30.300 -0.004 0.000 0.953 175 R HN 0.050 nan 8.270 nan 0.000 0.419 176 V N 7.129 126.851 119.914 -0.320 0.000 2.521 176 V HA 0.073 4.192 4.120 -0.001 0.000 0.286 176 V C 0.605 176.593 176.094 -0.176 0.000 1.034 176 V CA 0.137 62.196 62.300 -0.402 0.000 1.045 176 V CB 0.666 32.167 31.823 -0.536 0.000 0.974 176 V HN 0.546 nan 8.190 nan 0.000 0.480 177 I N 4.754 125.291 120.570 -0.054 0.000 2.355 177 I HA 0.526 4.695 4.170 -0.001 0.000 0.288 177 I C -0.282 175.834 176.117 -0.002 0.000 0.999 177 I CA -0.609 60.685 61.300 -0.011 0.000 1.163 177 I CB 1.058 39.076 38.000 0.030 0.000 1.316 177 I HN 0.314 nan 8.210 nan 0.000 0.454 178 L N 4.474 125.691 121.223 -0.010 0.000 2.436 178 L HA 0.406 4.745 4.340 -0.001 0.000 0.265 178 L C 1.340 178.230 176.870 0.034 0.000 1.168 178 L CA -0.024 54.822 54.840 0.010 0.000 0.815 178 L CB 0.804 42.867 42.059 0.007 0.000 1.109 178 L HN 0.884 nan 8.230 nan 0.000 0.462 179 S N 1.052 116.780 115.700 0.046 0.000 2.560 179 S HA 0.107 4.576 4.470 -0.001 0.000 0.284 179 S C 0.144 174.773 174.600 0.047 0.000 1.327 179 S CA -0.252 57.977 58.200 0.049 0.000 1.055 179 S CB 0.255 63.491 63.200 0.060 0.000 0.868 179 S HN 0.539 nan 8.310 nan 0.000 0.506 180 Q N 1.092 120.917 119.800 0.042 0.000 2.263 180 Q HA 0.523 4.862 4.340 -0.001 0.000 0.270 180 Q C -0.128 175.895 176.000 0.038 0.000 1.104 180 Q CA 0.455 56.282 55.803 0.039 0.000 0.909 180 Q CB -0.371 28.387 28.738 0.033 0.000 1.214 180 Q HN 0.866 nan 8.270 nan 0.000 0.400 184 I N 2.982 123.564 120.570 0.019 0.000 2.342 184 I HA 0.301 4.470 4.170 -0.001 0.000 0.291 184 I C -1.624 174.507 176.117 0.022 0.000 1.010 184 I CA -2.154 59.158 61.300 0.020 0.000 1.308 184 I CB 1.545 39.560 38.000 0.024 0.000 1.400 184 I HN -0.025 nan 8.210 nan 0.000 0.488 185 P HA 0.054 nan 4.420 nan 0.000 0.271 185 P C 0.455 177.767 177.300 0.021 0.000 1.218 185 P CA -0.161 62.948 63.100 0.016 0.000 0.780 185 P CB 0.587 32.293 31.700 0.009 0.000 0.901 186 C N 0.619 119.933 119.300 0.022 0.000 4.356 186 C HA -0.099 4.361 4.460 -0.001 0.000 0.296 186 C C 1.841 176.867 174.990 0.060 0.000 1.424 186 C CA 1.126 60.162 59.018 0.029 0.000 2.000 186 C CB -3.064 24.678 27.740 0.003 0.000 1.262 186 C HN 0.724 nan 8.230 nan 0.000 0.789 187 S N 0.028 115.763 115.700 0.058 0.000 2.603 187 S HA 0.311 4.780 4.470 -0.001 0.000 0.220 187 S C 1.286 175.933 174.600 0.079 0.000 0.967 187 S CA 1.363 59.604 58.200 0.067 0.000 0.920 187 S CB -0.414 62.816 63.200 0.050 0.000 0.773 187 S HN 1.104 nan 8.310 nan 0.000 0.529 188 D N -1.282 119.173 120.400 0.091 0.000 2.269 188 D HA -0.007 4.633 4.640 -0.001 0.000 0.208 188 D C 0.425 176.796 176.300 0.118 0.000 0.963 188 D CA 0.282 54.337 54.000 0.092 0.000 0.864 188 D CB -0.205 40.648 40.800 0.087 0.000 0.936 188 D HN 0.581 nan 8.370 nan 0.000 0.505 189 Y N 0.322 120.624 120.300 0.003 0.000 2.361 189 Y HA 0.551 5.100 4.550 -0.001 0.000 0.332 189 Y C -0.954 174.941 175.900 -0.008 0.000 1.101 189 Y CA -1.380 56.718 58.100 -0.003 0.000 1.137 189 Y CB 0.989 39.451 38.460 0.002 0.000 1.207 189 Y HN -0.052 nan 8.280 nan 0.000 0.463 190 I N 5.047 125.127 120.570 -0.816 0.000 2.827 190 I HA 0.283 4.452 4.170 -0.001 0.000 0.298 190 I C -1.353 174.163 176.117 -1.001 0.000 1.235 190 I CA -0.933 59.937 61.300 -0.718 0.000 1.021 190 I CB 1.865 39.672 38.000 -0.323 0.000 1.259 190 I HN 0.680 nan 8.210 nan 0.000 0.427 191 N N 5.697 124.036 118.700 -0.602 0.000 2.739 191 N HA 0.512 5.251 4.740 -0.001 0.000 0.266 191 N C -1.186 174.203 175.510 -0.203 0.000 1.168 191 N CA 0.259 53.118 53.050 -0.317 0.000 1.055 191 N CB 0.131 38.576 38.487 -0.069 0.000 1.393 191 N HN 0.663 nan 8.380 nan 0.000 0.514 192 A N 1.139 123.817 122.820 -0.237 0.000 2.604 192 A HA 0.689 5.009 4.320 -0.001 0.000 0.295 192 A C -1.132 176.321 177.584 -0.218 0.000 1.067 192 A CA -0.657 51.265 52.037 -0.191 0.000 0.683 192 A CB 0.986 19.854 19.000 -0.219 0.000 1.281 192 A HN 0.380 nan 8.150 nan 0.000 0.407 193 S N -0.026 115.563 115.700 -0.185 0.000 2.546 193 S HA 0.701 5.171 4.470 -0.001 0.000 0.274 193 S C -1.241 173.261 174.600 -0.164 0.000 1.121 193 S CA -0.650 57.439 58.200 -0.186 0.000 0.887 193 S CB 0.716 63.881 63.200 -0.059 0.000 1.094 193 S HN 0.545 nan 8.310 nan 0.000 0.474 194 Y N 1.327 121.626 120.300 -0.001 0.000 2.425 194 Y HA 0.448 4.998 4.550 -0.001 0.000 0.331 194 Y C 0.452 176.381 175.900 0.048 0.000 1.157 194 Y CA -0.298 57.816 58.100 0.024 0.000 1.372 194 Y CB 0.257 38.718 38.460 0.001 0.000 1.253 194 Y HN 0.455 nan 8.280 nan 0.000 0.536 195 I N 3.737 124.467 120.570 0.268 0.000 2.533 195 I HA 0.202 4.371 4.170 -0.001 0.000 0.290 195 I C -0.934 175.356 176.117 0.288 0.000 1.056 195 I CA -1.040 60.387 61.300 0.212 0.000 1.057 195 I CB 1.982 40.088 38.000 0.176 0.000 1.240 195 I HN 0.514 nan 8.210 nan 0.000 0.423 196 D N 3.957 124.480 120.400 0.205 0.000 2.329 196 D HA 0.423 5.062 4.640 -0.001 0.000 0.246 196 D C 0.380 176.933 176.300 0.422 0.000 1.111 196 D CA 0.079 54.217 54.000 0.231 0.000 0.941 196 D CB 1.627 42.508 40.800 0.134 0.000 1.169 196 D HN 0.691 nan 8.370 nan 0.000 0.441 197 G N -0.674 108.351 108.800 0.375 0.000 2.613 197 G HA2 0.291 4.250 3.960 -0.001 0.000 0.303 197 G HA3 0.291 4.250 3.960 -0.001 0.000 0.303 197 G C -1.077 174.035 174.900 0.353 0.000 1.312 197 G CA -0.644 44.728 45.100 0.455 0.000 1.036 197 G HN 0.418 nan 8.290 nan 0.000 0.513 198 Y N 0.703 121.060 120.300 0.094 0.000 2.650 198 Y HA 0.313 4.862 4.550 -0.001 0.000 0.331 198 Y C 1.211 177.138 175.900 0.045 0.000 1.165 198 Y CA 0.829 58.939 58.100 0.017 0.000 1.473 198 Y CB -0.170 38.220 38.460 -0.117 0.000 1.224 198 Y HN 1.099 nan 8.280 nan 0.000 0.533 199 K N 3.678 123.816 120.400 -0.438 0.000 3.177 199 K HA -0.280 4.039 4.320 -0.001 0.000 0.266 199 K C -0.241 176.295 176.600 -0.107 0.000 0.937 199 K CA 1.597 57.691 56.287 -0.322 0.000 0.702 199 K CB -2.124 30.097 32.500 -0.466 0.000 1.365 199 K HN 0.880 nan 8.250 nan 0.000 0.466 200 E N -1.216 118.964 120.200 -0.033 0.000 2.466 200 E HA 0.481 4.831 4.350 -0.001 0.000 0.308 200 E C -0.100 176.501 176.600 0.000 0.000 0.933 200 E CA 0.143 56.530 56.400 -0.021 0.000 0.800 200 E CB 0.878 30.562 29.700 -0.026 0.000 1.434 200 E HN 0.780 nan 8.360 nan 0.000 0.389 201 K N 2.875 123.263 120.400 -0.021 0.000 2.484 201 K HA 0.071 4.391 4.320 -0.001 0.000 0.280 201 K C 0.375 176.954 176.600 -0.035 0.000 1.013 201 K CA 0.571 56.846 56.287 -0.020 0.000 1.029 201 K CB -0.345 32.126 32.500 -0.049 0.000 0.902 201 K HN 0.735 nan 8.250 nan 0.000 0.481 202 N N -0.548 118.154 118.700 0.003 0.000 2.740 202 N HA -0.205 4.534 4.740 -0.001 0.000 0.248 202 N C 1.190 176.704 175.510 0.007 0.000 1.062 202 N CA 1.576 54.640 53.050 0.023 0.000 0.704 202 N CB -1.896 36.503 38.487 -0.148 0.000 0.968 202 N HN 0.988 nan 8.380 nan 0.000 0.547 203 K N -0.913 119.469 120.400 -0.029 0.000 2.097 203 K HA 0.095 4.415 4.320 -0.001 0.000 0.205 203 K C 0.605 176.924 176.600 -0.467 0.000 1.050 203 K CA 1.513 57.614 56.287 -0.311 0.000 0.938 203 K CB -0.214 32.000 32.500 -0.477 0.000 0.718 203 K HN 0.364 nan 8.250 nan 0.000 0.442 204 F N -1.635 118.383 119.950 0.114 0.000 2.598 204 F HA 0.632 5.158 4.527 -0.001 0.000 0.327 204 F C -0.018 175.843 175.800 0.101 0.000 1.057 204 F CA -1.536 56.529 58.000 0.107 0.000 0.957 204 F CB 1.989 41.066 39.000 0.127 0.000 1.278 204 F HN -0.162 nan 8.300 nan 0.000 0.484 205 I N 1.750 122.470 120.570 0.251 0.000 2.410 205 I HA 0.458 4.628 4.170 -0.001 0.000 0.286 205 I C -0.643 175.519 176.117 0.075 0.000 1.009 205 I CA -0.784 60.561 61.300 0.075 0.000 1.111 205 I CB 1.519 39.479 38.000 -0.066 0.000 1.262 205 I HN 0.672 nan 8.210 nan 0.000 0.443 206 A N 5.993 128.838 122.820 0.042 0.000 2.310 206 A HA 0.791 5.110 4.320 -0.001 0.000 0.300 206 A C -0.013 177.563 177.584 -0.013 0.000 1.269 206 A CA -0.219 51.829 52.037 0.017 0.000 0.909 206 A CB 0.227 19.230 19.000 0.004 0.000 1.144 206 A HN 0.755 nan 8.150 nan 0.000 0.540 207 A N 2.797 125.626 122.820 0.014 0.000 2.374 207 A HA 0.653 4.973 4.320 -0.001 0.000 0.317 207 A C -0.045 177.545 177.584 0.010 0.000 1.094 207 A CA -0.726 51.311 52.037 -0.001 0.000 0.765 207 A CB 0.723 19.745 19.000 0.037 0.000 1.268 207 A HN 1.016 nan 8.150 nan 0.000 0.438 208 Q N 1.409 121.191 119.800 -0.030 0.000 2.352 208 Q HA 0.456 4.795 4.340 -0.001 0.000 0.260 208 Q C 0.411 176.315 176.000 -0.160 0.000 0.976 208 Q CA -0.023 55.759 55.803 -0.034 0.000 0.881 208 Q CB 0.781 29.514 28.738 -0.008 0.000 1.235 208 Q HN 0.885 nan 8.270 nan 0.000 0.419 209 G N 3.974 112.686 108.800 -0.148 0.000 2.313 209 G HA2 0.222 4.182 3.960 -0.001 0.000 0.250 209 G HA3 0.222 4.182 3.960 -0.001 0.000 0.250 209 G C -2.197 172.452 174.900 -0.419 0.000 1.281 209 G CA -0.896 43.976 45.100 -0.380 0.000 0.917 209 G HN 0.647 nan 8.290 nan 0.000 0.501 210 P HA 0.173 nan 4.420 nan 0.000 0.272 210 P C -0.318 176.830 177.300 -0.255 0.000 1.223 210 P CA -0.047 62.749 63.100 -0.505 0.000 0.784 210 P CB 1.096 32.312 31.700 -0.805 0.000 0.923 211 K N -0.728 119.555 120.400 -0.195 0.000 2.295 211 K HA 0.515 4.834 4.320 -0.001 0.000 0.239 211 K C 1.538 177.945 176.600 -0.322 0.000 0.991 211 K CA -0.858 55.320 56.287 -0.182 0.000 0.845 211 K CB -0.066 32.342 32.500 -0.153 0.000 1.197 211 K HN 0.222 nan 8.250 nan 0.000 0.441 212 Q N 1.436 120.861 119.800 -0.625 0.000 2.124 212 Q HA -0.295 4.045 4.340 -0.001 0.000 0.215 212 Q C 1.676 177.515 176.000 -0.269 0.000 1.015 212 Q CA 2.963 58.340 55.803 -0.711 0.000 0.890 212 Q CB -1.390 27.040 28.738 -0.513 0.000 0.966 212 Q HN 0.829 nan 8.270 nan 0.000 0.412 213 E N -0.032 120.064 120.200 -0.175 0.000 2.418 213 E HA 0.002 4.352 4.350 -0.001 0.000 0.197 213 E C 1.744 178.322 176.600 -0.037 0.000 1.026 213 E CA 1.330 57.684 56.400 -0.077 0.000 0.862 213 E CB 0.221 29.885 29.700 -0.060 0.000 0.799 213 E HN 0.859 nan 8.360 nan 0.000 0.518 214 T N -3.602 110.915 114.554 -0.061 0.000 3.145 214 T HA 0.205 4.555 4.350 -0.001 0.000 0.281 214 T C 1.496 176.191 174.700 -0.007 0.000 1.003 214 T CA -0.291 61.794 62.100 -0.026 0.000 0.901 214 T CB 0.109 68.947 68.868 -0.050 0.000 1.112 214 T HN -0.075 nan 8.240 nan 0.000 0.535 215 V N 2.728 122.645 119.914 0.005 0.000 2.343 215 V HA -0.181 3.938 4.120 -0.001 0.000 0.247 215 V C 2.607 178.837 176.094 0.227 0.000 1.051 215 V CA 2.017 64.359 62.300 0.068 0.000 1.036 215 V CB -0.660 31.269 31.823 0.177 0.000 0.654 215 V HN 0.642 nan 8.190 nan 0.000 0.451 216 N N 0.291 119.149 118.700 0.263 0.000 2.142 216 N HA -0.168 4.572 4.740 -0.001 0.000 0.186 216 N C 1.704 177.354 175.510 0.234 0.000 1.023 216 N CA 1.549 54.791 53.050 0.320 0.000 0.852 216 N CB -0.331 38.306 38.487 0.249 0.000 0.998 216 N HN 0.710 nan 8.380 nan 0.000 0.424 217 D N 1.134 121.619 120.400 0.143 0.000 2.178 217 D HA -0.157 4.483 4.640 -0.001 0.000 0.201 217 D C 1.617 177.949 176.300 0.053 0.000 0.980 217 D CA 0.662 54.713 54.000 0.085 0.000 0.842 217 D CB -0.728 40.099 40.800 0.046 0.000 0.948 217 D HN 0.183 nan 8.370 nan 0.000 0.472 218 F N -0.623 119.248 119.950 -0.132 0.000 2.102 218 F HA 0.009 4.535 4.527 -0.001 0.000 0.298 218 F C 2.039 177.683 175.800 -0.260 0.000 1.105 218 F CA 1.498 59.314 58.000 -0.308 0.000 1.239 218 F CB -0.426 38.242 39.000 -0.554 0.000 0.991 218 F HN 0.299 nan 8.300 nan 0.000 0.474 219 W N 0.359 121.633 121.300 -0.042 0.000 2.402 219 W HA -0.036 4.624 4.660 -0.001 0.000 0.286 219 W C 2.720 179.230 176.519 -0.015 0.000 1.221 219 W CA 0.939 58.245 57.345 -0.066 0.000 1.257 219 W CB -0.356 29.128 29.460 0.040 0.000 1.120 219 W HN -0.163 nan 8.180 nan 0.000 0.551 220 R N 0.400 121.036 120.500 0.226 0.000 2.115 220 R HA -0.172 4.167 4.340 -0.001 0.000 0.230 220 R C 2.113 178.485 176.300 0.120 0.000 1.111 220 R CA 1.423 57.637 56.100 0.191 0.000 0.976 220 R CB -0.485 29.894 30.300 0.132 0.000 0.870 220 R HN 0.267 nan 8.270 nan 0.000 0.445 221 M N 0.174 119.751 119.600 -0.038 0.000 2.077 221 M HA -0.154 4.325 4.480 -0.001 0.000 0.261 221 M C 1.905 178.132 176.300 -0.122 0.000 1.070 221 M CA 1.612 56.834 55.300 -0.129 0.000 1.125 221 M CB 0.001 32.432 32.600 -0.281 0.000 1.339 221 M HN -0.004 nan 8.290 nan 0.000 0.409 222 V N 0.099 119.885 119.914 -0.213 0.000 2.380 222 V HA -0.333 3.787 4.120 -0.001 0.000 0.251 222 V C 2.114 178.269 176.094 0.102 0.000 1.063 222 V CA 2.206 64.439 62.300 -0.112 0.000 1.055 222 V CB -1.064 30.681 31.823 -0.130 0.000 0.657 222 V HN 0.746 nan 8.190 nan 0.000 0.455 223 W N 0.944 122.268 121.300 0.040 0.000 2.408 223 W HA -0.103 4.557 4.660 -0.000 0.000 0.311 223 W C 2.344 178.884 176.519 0.035 0.000 1.190 223 W CA 1.637 59.022 57.345 0.068 0.000 1.321 223 W CB -0.062 29.451 29.460 0.089 0.000 1.143 223 W HN 0.311 nan 8.180 nan 0.000 0.501 224 E N -0.171 120.110 120.200 0.135 0.000 2.204 224 E HA -0.230 4.119 4.350 -0.001 0.000 0.194 224 E C 1.973 178.539 176.600 -0.056 0.000 0.989 224 E CA 0.900 57.319 56.400 0.032 0.000 0.824 224 E CB -0.112 29.646 29.700 0.097 0.000 0.756 224 E HN 0.215 nan 8.360 nan 0.000 0.477 225 Q N 0.143 119.912 119.800 -0.053 0.000 2.425 225 Q HA 0.026 4.366 4.340 -0.001 0.000 0.204 225 Q C 0.043 175.994 176.000 -0.081 0.000 0.933 225 Q CA 0.304 56.083 55.803 -0.040 0.000 0.939 225 Q CB 0.410 29.137 28.738 -0.019 0.000 1.044 225 Q HN 0.211 nan 8.270 nan 0.000 0.513 226 K N 0.028 120.332 120.400 -0.160 0.000 3.230 226 K HA -0.099 4.221 4.320 -0.001 0.000 0.285 226 K C -0.486 176.053 176.600 -0.102 0.000 1.196 226 K CA 0.330 56.505 56.287 -0.186 0.000 0.838 226 K CB -2.016 30.393 32.500 -0.152 0.000 1.262 226 K HN 0.026 nan 8.250 nan 0.000 0.492 227 S N -0.137 115.521 115.700 -0.070 0.000 2.564 227 S HA 0.349 4.819 4.470 -0.001 0.000 0.278 227 S C 1.271 175.871 174.600 0.000 0.000 1.333 227 S CA 0.062 58.239 58.200 -0.038 0.000 1.048 227 S CB 1.546 64.722 63.200 -0.040 0.000 0.900 227 S HN 0.443 nan 8.310 nan 0.000 0.505 228 A N 2.654 125.469 122.820 -0.009 0.000 2.229 228 A HA 0.350 4.670 4.320 -0.001 0.000 0.211 228 A C 0.643 178.259 177.584 0.054 0.000 1.193 228 A CA 0.164 52.213 52.037 0.021 0.000 0.879 228 A CB 0.345 19.317 19.000 -0.046 0.000 0.911 228 A HN 0.630 nan 8.150 nan 0.000 0.492 229 T N 0.485 115.063 114.554 0.039 0.000 2.921 229 T HA 0.595 4.944 4.350 -0.001 0.000 0.297 229 T C -0.857 173.887 174.700 0.073 0.000 1.013 229 T CA -0.117 62.014 62.100 0.053 0.000 0.990 229 T CB 1.453 70.329 68.868 0.014 0.000 1.023 229 T HN 0.172 nan 8.240 nan 0.000 0.447 230 I N 2.643 123.281 120.570 0.113 0.000 2.406 230 I HA 0.489 4.659 4.170 -0.001 0.000 0.290 230 I C -0.560 175.607 176.117 0.083 0.000 0.999 230 I CA -1.139 60.246 61.300 0.141 0.000 1.124 230 I CB 1.935 40.094 38.000 0.266 0.000 1.289 230 I HN 0.257 nan 8.210 nan 0.000 0.441 231 V N 7.111 127.027 119.914 0.003 0.000 2.328 231 V HA 0.328 4.448 4.120 -0.001 0.000 0.278 231 V C -0.006 175.925 176.094 -0.272 0.000 1.021 231 V CA -0.452 61.781 62.300 -0.111 0.000 0.838 231 V CB 1.433 33.072 31.823 -0.307 0.000 0.999 231 V HN 0.708 nan 8.190 nan 0.000 0.447 232 M N 5.964 125.409 119.600 -0.259 0.000 2.061 232 M HA 0.463 4.943 4.480 -0.001 0.000 0.346 232 M C -0.290 175.807 176.300 -0.337 0.000 1.112 232 M CA -0.260 54.680 55.300 -0.599 0.000 1.021 232 M CB 0.753 33.017 32.600 -0.560 0.000 1.530 232 M HN 0.570 nan 8.290 nan 0.000 0.437 233 L N 3.730 124.711 121.223 -0.403 0.000 2.741 233 L HA 0.272 4.611 4.340 -0.001 0.000 0.237 233 L C 0.512 177.237 176.870 -0.242 0.000 1.178 233 L CA -0.040 54.630 54.840 -0.285 0.000 0.973 233 L CB 0.332 42.130 42.059 -0.437 0.000 1.255 233 L HN 0.694 nan 8.230 nan 0.000 0.498 234 T N -1.091 113.358 114.554 -0.175 0.000 2.916 234 T HA 0.405 4.754 4.350 -0.001 0.000 0.292 234 T C -0.319 174.442 174.700 0.102 0.000 1.055 234 T CA -0.610 61.440 62.100 -0.084 0.000 1.009 234 T CB 1.604 70.422 68.868 -0.084 0.000 1.118 234 T HN -0.027 nan 8.240 nan 0.000 0.497 235 N N 2.065 120.839 118.700 0.122 0.000 2.476 235 N HA 0.379 5.119 4.740 -0.001 0.000 0.275 235 N C 1.298 176.883 175.510 0.126 0.000 1.190 235 N CA -0.445 52.727 53.050 0.204 0.000 0.977 235 N CB 1.350 39.905 38.487 0.114 0.000 1.200 235 N HN 0.514 nan 8.380 nan 0.000 0.515 236 L N 1.060 122.367 121.223 0.141 0.000 1.961 236 L HA -0.101 4.239 4.340 -0.001 0.000 0.209 236 L C 1.604 178.487 176.870 0.022 0.000 1.075 236 L CA 1.575 56.456 54.840 0.069 0.000 0.749 236 L CB -0.617 41.453 42.059 0.018 0.000 0.890 236 L HN 0.558 nan 8.230 nan 0.000 0.433 237 K N 0.901 121.307 120.400 0.009 0.000 2.179 237 K HA 0.657 4.976 4.320 -0.001 0.000 0.238 237 K C -0.090 176.511 176.600 0.002 0.000 1.033 237 K CA 0.258 56.546 56.287 0.002 0.000 0.926 237 K CB 0.017 32.514 32.500 -0.006 0.000 1.151 237 K HN 0.303 nan 8.250 nan 0.000 0.492 238 E N -1.216 118.982 120.200 -0.004 0.000 2.647 238 E HA 0.565 4.914 4.350 -0.001 0.000 0.387 238 E C 0.227 176.824 176.600 -0.006 0.000 0.996 238 E CA 0.905 57.292 56.400 -0.023 0.000 0.735 238 E CB -0.608 29.050 29.700 -0.069 0.000 1.559 238 E HN 2.375 nan 8.360 nan 0.000 0.385 239 R N -0.292 120.216 120.500 0.013 0.000 3.762 239 R HA 0.192 4.532 4.340 -0.001 0.000 0.328 239 R C 1.829 178.152 176.300 0.037 0.000 1.164 239 R CA 2.426 58.549 56.100 0.039 0.000 0.861 239 R CB -3.348 26.996 30.300 0.073 0.000 1.408 239 R HN 2.582 nan 8.270 nan 0.000 0.502 240 K N -4.971 115.443 120.400 0.023 0.000 3.548 240 K HA 0.140 4.459 4.320 -0.001 0.000 0.296 240 K C 0.628 177.240 176.600 0.020 0.000 1.324 240 K CA 2.533 58.832 56.287 0.019 0.000 0.976 240 K CB -2.832 29.681 32.500 0.022 0.000 1.294 240 K HN 2.753 nan 8.250 nan 0.000 0.464 241 E N 0.400 120.616 120.200 0.027 0.000 2.113 241 E HA 0.613 4.962 4.350 -0.001 0.000 0.273 241 E C 0.045 176.658 176.600 0.021 0.000 0.924 241 E CA 0.400 56.819 56.400 0.032 0.000 0.764 241 E CB 0.620 30.353 29.700 0.055 0.000 1.104 241 E HN 1.710 nan 8.360 nan 0.000 0.406 242 E N 2.165 122.373 120.200 0.014 0.000 2.081 242 E HA 0.146 4.496 4.350 -0.001 0.000 0.270 242 E C 0.560 177.167 176.600 0.013 0.000 1.180 242 E CA -0.094 56.310 56.400 0.007 0.000 0.926 242 E CB -0.248 29.454 29.700 0.003 0.000 1.035 242 E HN 0.545 nan 8.360 nan 0.000 0.418 243 K N 0.260 120.672 120.400 0.020 0.000 2.361 243 K HA 0.204 4.523 4.320 -0.001 0.000 0.196 243 K C 0.306 176.926 176.600 0.034 0.000 1.039 243 K CA 0.542 56.852 56.287 0.038 0.000 1.001 243 K CB 0.176 32.687 32.500 0.019 0.000 0.795 243 K HN 0.610 nan 8.250 nan 0.000 0.495 244 C N 0.375 119.689 119.300 0.025 0.000 3.199 244 C HA 0.177 4.637 4.460 -0.001 0.000 0.392 244 C C -1.218 173.788 174.990 0.025 0.000 1.050 244 C CA -1.038 57.996 59.018 0.026 0.000 1.222 244 C CB 0.903 28.686 27.740 0.071 0.000 1.595 244 C HN 0.444 nan 8.230 nan 0.000 0.560 245 H N 3.627 122.648 119.070 -0.082 0.000 2.548 245 H HA 0.255 4.811 4.556 -0.001 0.000 0.331 245 H C -0.049 175.209 175.328 -0.116 0.000 1.093 245 H CA 0.463 56.448 56.048 -0.104 0.000 1.367 245 H CB 1.306 31.002 29.762 -0.109 0.000 1.455 245 H HN 0.886 nan 8.280 nan 0.000 0.519 246 Q N 4.536 123.896 119.800 -0.733 0.000 2.271 246 Q HA -0.061 4.279 4.340 -0.001 0.000 0.273 246 Q C -0.627 175.028 176.000 -0.575 0.000 1.051 246 Q CA -0.081 55.192 55.803 -0.883 0.000 0.901 246 Q CB 0.163 28.251 28.738 -1.083 0.000 1.174 246 Q HN 0.728 nan 8.270 nan 0.000 0.385 247 Y N 2.530 122.596 120.300 -0.390 0.000 2.681 247 Y HA 0.388 4.937 4.550 -0.001 0.000 0.267 247 Y C -1.323 174.647 175.900 0.116 0.000 1.166 247 Y CA -1.301 56.739 58.100 -0.100 0.000 1.209 247 Y CB -0.292 38.040 38.460 -0.212 0.000 1.161 247 Y HN 0.477 nan 8.280 nan 0.000 0.534 248 W N -0.158 121.060 121.300 -0.137 0.000 3.127 248 W HA 0.809 5.469 4.660 -0.000 0.000 0.330 248 W C -3.254 173.304 176.519 0.065 0.000 1.187 248 W CA -3.118 54.185 57.345 -0.070 0.000 1.198 248 W CB 0.624 29.924 29.460 -0.267 0.000 1.408 248 W HN -0.255 nan 8.180 nan 0.000 0.529 249 P HA 0.168 nan 4.420 nan 0.000 0.271 249 P C 0.459 177.922 177.300 0.271 0.000 1.216 249 P CA 0.924 64.135 63.100 0.185 0.000 0.776 249 P CB 0.909 32.776 31.700 0.279 0.000 0.881 250 D N 1.419 121.882 120.400 0.106 0.000 2.085 250 D HA 0.051 4.690 4.640 -0.001 0.000 0.199 250 D C 1.198 177.610 176.300 0.186 0.000 0.981 250 D CA 1.759 55.853 54.000 0.157 0.000 0.834 250 D CB -0.577 40.247 40.800 0.039 0.000 0.992 250 D HN 0.701 nan 8.370 nan 0.000 0.457 251 Q N -1.574 118.308 119.800 0.136 0.000 2.306 251 Q HA 0.658 4.997 4.340 -0.001 0.000 0.265 251 Q C 1.246 177.338 176.000 0.154 0.000 1.022 251 Q CA 0.212 56.095 55.803 0.132 0.000 0.853 251 Q CB 1.015 29.808 28.738 0.091 0.000 1.327 251 Q HN 1.874 nan 8.270 nan 0.000 0.449 252 G N -0.650 108.238 108.800 0.146 0.000 2.556 252 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.283 252 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.283 252 G C 0.548 175.551 174.900 0.170 0.000 1.177 252 G CA 0.330 45.512 45.100 0.137 0.000 0.978 252 G HN 1.731 nan 8.290 nan 0.000 0.554 253 c N -1.045 117.650 118.600 0.158 0.000 3.044 253 c HA 0.923 5.492 4.570 -0.001 0.000 0.315 253 c C -0.592 173.630 174.090 0.221 0.000 1.320 253 c CA -0.389 56.031 56.329 0.152 0.000 1.582 253 c CB 1.920 44.464 42.510 0.057 0.000 2.039 253 c HN 0.831 nan 8.230 nan 0.000 0.466 254 W N 0.403 121.640 121.300 -0.105 0.000 3.800 254 W HA 0.485 5.145 4.660 -0.001 0.000 0.299 254 W C -0.685 175.635 176.519 -0.332 0.000 1.231 254 W CA -0.288 56.899 57.345 -0.263 0.000 1.232 254 W CB 1.350 30.565 29.460 -0.409 0.000 1.291 254 W HN 0.965 nan 8.180 nan 0.000 0.514 255 T N 3.937 118.104 114.554 -0.646 0.000 2.739 255 T HA 0.399 4.748 4.350 -0.001 0.000 0.298 255 T C -1.092 173.434 174.700 -0.290 0.000 0.929 255 T CA 0.201 62.069 62.100 -0.385 0.000 1.014 255 T CB -0.183 68.466 68.868 -0.365 0.000 0.914 255 T HN 0.254 nan 8.240 nan 0.000 0.509 256 Y N 3.773 124.095 120.300 0.037 0.000 2.751 256 Y HA 0.449 4.998 4.550 -0.001 0.000 0.333 256 Y C 1.516 177.463 175.900 0.078 0.000 1.122 256 Y CA 0.342 58.539 58.100 0.161 0.000 1.367 256 Y CB 0.413 39.000 38.460 0.211 0.000 1.242 256 Y HN 1.187 nan 8.280 nan 0.000 0.505 257 G N 1.650 110.535 108.800 0.141 0.000 2.536 257 G HA2 -0.441 3.519 3.960 -0.001 0.000 0.277 257 G HA3 -0.441 3.519 3.960 -0.001 0.000 0.277 257 G C 0.890 175.787 174.900 -0.005 0.000 1.155 257 G CA 0.284 45.429 45.100 0.075 0.000 0.960 257 G HN 0.772 nan 8.290 nan 0.000 0.544 258 N N -0.165 118.523 118.700 -0.021 0.000 2.276 258 N HA 0.566 5.305 4.740 -0.001 0.000 0.212 258 N C 0.371 175.783 175.510 -0.164 0.000 1.127 258 N CA 1.022 54.018 53.050 -0.089 0.000 0.834 258 N CB 0.146 38.583 38.487 -0.084 0.000 1.014 258 N HN 0.673 nan 8.380 nan 0.000 0.491 259 I N 1.219 121.712 120.570 -0.128 0.000 2.410 259 I HA 0.440 4.610 4.170 -0.001 0.000 0.286 259 I C 0.391 176.401 176.117 -0.177 0.000 1.009 259 I CA -1.170 60.000 61.300 -0.216 0.000 1.111 259 I CB 0.829 38.735 38.000 -0.155 0.000 1.262 259 I HN 0.390 nan 8.210 nan 0.000 0.443 260 R N 5.664 126.038 120.500 -0.211 0.000 2.202 260 R HA 0.670 5.009 4.340 -0.001 0.000 0.334 260 R C -0.823 175.377 176.300 -0.167 0.000 1.036 260 R CA -0.435 55.568 56.100 -0.162 0.000 0.878 260 R CB 0.519 30.732 30.300 -0.145 0.000 1.067 260 R HN 0.448 nan 8.270 nan 0.000 0.457 261 V N 1.568 121.389 119.914 -0.154 0.000 2.539 261 V HA 0.577 4.697 4.120 -0.001 0.000 0.292 261 V C 0.013 176.122 176.094 0.025 0.000 1.045 261 V CA -0.867 61.310 62.300 -0.204 0.000 0.945 261 V CB 1.673 33.181 31.823 -0.526 0.000 0.993 261 V HN 1.012 nan 8.190 nan 0.000 0.464 262 c N 3.418 122.092 118.600 0.123 0.000 2.535 262 c HA 0.522 5.092 4.570 -0.001 0.000 0.319 262 c C -0.049 174.265 174.090 0.374 0.000 1.171 262 c CA -0.881 55.576 56.329 0.214 0.000 1.394 262 c CB 1.583 44.176 42.510 0.139 0.000 1.990 262 c HN 0.636 nan 8.230 nan 0.000 0.466 263 V N 4.069 124.213 119.914 0.383 0.000 2.470 263 V HA 0.161 4.280 4.120 -0.001 0.000 0.276 263 V C 0.812 177.010 176.094 0.174 0.000 1.040 263 V CA 0.603 63.118 62.300 0.359 0.000 1.008 263 V CB 0.853 32.874 31.823 0.331 0.000 0.990 263 V HN 0.910 nan 8.190 nan 0.000 0.477 264 E N 2.501 122.756 120.200 0.091 0.000 2.330 264 E HA 0.217 4.566 4.350 -0.001 0.000 0.200 264 E C 0.663 177.268 176.600 0.009 0.000 0.922 264 E CA 1.046 57.477 56.400 0.052 0.000 0.935 264 E CB 0.581 30.313 29.700 0.053 0.000 0.917 264 E HN 0.913 nan 8.360 nan 0.000 0.491 265 D N -0.961 119.411 120.400 -0.047 0.000 2.654 265 D HA 0.614 5.254 4.640 -0.001 0.000 0.231 265 D C -0.859 175.378 176.300 -0.105 0.000 1.239 265 D CA -0.049 53.920 54.000 -0.052 0.000 0.790 265 D CB 1.051 41.826 40.800 -0.042 0.000 1.480 265 D HN 0.279 nan 8.370 nan 0.000 0.442 266 C N 1.230 120.491 119.300 -0.066 0.000 2.397 266 C HA 0.823 5.283 4.460 -0.001 0.000 0.325 266 C C -0.224 174.730 174.990 -0.060 0.000 1.201 266 C CA -0.615 58.356 59.018 -0.078 0.000 1.377 266 C CB 0.514 28.230 27.740 -0.040 0.000 2.038 266 C HN 0.736 nan 8.230 nan 0.000 0.457 267 V N 5.270 125.144 119.914 -0.067 0.000 2.357 267 V HA 0.533 4.653 4.120 -0.001 0.000 0.284 267 V C 0.003 176.027 176.094 -0.117 0.000 1.018 267 V CA -0.549 61.708 62.300 -0.072 0.000 0.841 267 V CB 1.314 33.108 31.823 -0.048 0.000 0.991 267 V HN 0.673 nan 8.190 nan 0.000 0.437 268 V N 7.308 127.133 119.914 -0.149 0.000 2.304 268 V HA 0.403 4.522 4.120 -0.001 0.000 0.269 268 V C 0.156 176.063 176.094 -0.312 0.000 1.036 268 V CA -0.076 62.099 62.300 -0.208 0.000 0.840 268 V CB 0.920 32.641 31.823 -0.170 0.000 1.036 268 V HN 0.634 nan 8.190 nan 0.000 0.466 269 L N 4.060 125.012 121.223 -0.451 0.000 2.440 269 L HA 0.463 4.803 4.340 -0.001 0.000 0.262 269 L C 1.488 178.038 176.870 -0.533 0.000 1.072 269 L CA -0.378 54.084 54.840 -0.631 0.000 0.798 269 L CB 1.223 42.728 42.059 -0.922 0.000 1.307 269 L HN 0.368 nan 8.230 nan 0.000 0.475 270 V N 0.632 120.241 119.914 -0.507 0.000 2.358 270 V HA -0.234 3.886 4.120 -0.001 0.000 0.246 270 V C 1.905 177.814 176.094 -0.307 0.000 1.047 270 V CA 2.792 64.890 62.300 -0.338 0.000 1.035 270 V CB -0.259 31.419 31.823 -0.241 0.000 0.658 270 V HN 0.994 nan 8.190 nan 0.000 0.452 271 D N -2.086 118.120 120.400 -0.323 0.000 2.346 271 D HA 0.234 4.874 4.640 -0.001 0.000 0.206 271 D C 0.564 176.627 176.300 -0.394 0.000 1.001 271 D CA 0.825 54.652 54.000 -0.287 0.000 0.871 271 D CB 0.022 40.799 40.800 -0.037 0.000 0.943 271 D HN 0.834 nan 8.370 nan 0.000 0.518 272 Y N -2.948 117.173 120.300 -0.299 0.000 2.624 272 Y HA 0.555 5.105 4.550 -0.001 0.000 0.334 272 Y C -0.445 175.380 175.900 -0.124 0.000 1.155 272 Y CA -0.924 57.048 58.100 -0.213 0.000 1.046 272 Y CB 1.048 39.563 38.460 0.092 0.000 1.316 272 Y HN -0.010 nan 8.280 nan 0.000 0.457 273 T N 0.425 115.003 114.554 0.041 0.000 2.924 273 T HA 0.781 5.130 4.350 -0.001 0.000 0.291 273 T C -1.466 173.326 174.700 0.153 0.000 1.045 273 T CA -0.710 61.379 62.100 -0.017 0.000 1.015 273 T CB 1.792 70.582 68.868 -0.130 0.000 1.103 273 T HN 0.908 nan 8.240 nan 0.000 0.496 274 I N 1.434 122.043 120.570 0.065 0.000 2.478 274 I HA 0.524 4.694 4.170 -0.001 0.000 0.287 274 I C -0.543 175.524 176.117 -0.083 0.000 1.042 274 I CA -0.891 60.447 61.300 0.062 0.000 1.067 274 I CB 1.572 39.645 38.000 0.123 0.000 1.233 274 I HN 0.665 nan 8.210 nan 0.000 0.431 275 R N 5.014 125.396 120.500 -0.196 0.000 2.599 275 R HA 0.485 4.824 4.340 -0.001 0.000 0.295 275 R C -1.217 174.737 176.300 -0.577 0.000 0.963 275 R CA -1.036 54.800 56.100 -0.441 0.000 0.883 275 R CB 2.291 32.187 30.300 -0.673 0.000 1.171 275 R HN 0.278 nan 8.270 nan 0.000 0.450 276 K N 2.955 123.038 120.400 -0.529 0.000 2.339 276 K HA 0.371 4.691 4.320 -0.001 0.000 0.264 276 K C -1.382 174.998 176.600 -0.367 0.000 0.986 276 K CA -0.068 56.019 56.287 -0.334 0.000 0.866 276 K CB 0.636 33.059 32.500 -0.128 0.000 1.103 276 K HN 0.296 nan 8.250 nan 0.000 0.441 277 F N 1.526 121.550 119.950 0.123 0.000 2.470 277 F HA 0.461 4.988 4.527 -0.000 0.000 0.329 277 F C 0.014 175.892 175.800 0.130 0.000 1.072 277 F CA -1.105 56.982 58.000 0.145 0.000 0.989 277 F CB 1.575 40.709 39.000 0.224 0.000 1.193 277 F HN 0.324 nan 8.300 nan 0.000 0.481 278 C N 6.087 125.588 119.300 0.335 0.000 2.335 278 C HA 0.644 5.104 4.460 -0.001 0.000 0.318 278 C C -0.169 174.917 174.990 0.159 0.000 1.150 278 C CA -0.784 58.364 59.018 0.216 0.000 1.466 278 C CB -1.560 26.273 27.740 0.155 0.000 2.024 278 C HN 0.670 nan 8.230 nan 0.000 0.429 279 I N 3.943 124.622 120.570 0.182 0.000 2.498 279 I HA 0.748 4.918 4.170 -0.001 0.000 0.301 279 I C -0.816 175.363 176.117 0.103 0.000 0.984 279 I CA -0.133 61.215 61.300 0.081 0.000 1.204 279 I CB 1.648 39.717 38.000 0.114 0.000 1.362 279 I HN 0.787 nan 8.210 nan 0.000 0.471 280 Q N 5.922 125.631 119.800 -0.152 0.000 2.545 280 Q HA 0.505 4.845 4.340 -0.001 0.000 0.273 280 Q C -3.003 172.715 176.000 -0.470 0.000 0.975 280 Q CA -1.269 54.351 55.803 -0.305 0.000 0.876 280 Q CB 3.082 31.771 28.738 -0.081 0.000 1.472 280 Q HN 0.527 nan 8.270 nan 0.000 0.389 289 A N 3.701 126.625 122.820 0.173 0.000 2.545 289 A HA 0.510 4.830 4.320 -0.001 0.000 0.253 289 A C -1.820 175.912 177.584 0.246 0.000 1.074 289 A CA -0.260 51.870 52.037 0.155 0.000 0.760 289 A CB -0.596 18.466 19.000 0.103 0.000 1.005 289 A HN 0.445 nan 8.150 nan 0.000 0.506 290 P HA 0.290 nan 4.420 nan 0.000 0.272 290 P C -0.428 177.011 177.300 0.231 0.000 1.230 290 P CA -0.196 63.038 63.100 0.223 0.000 0.788 290 P CB 0.749 32.527 31.700 0.131 0.000 0.949 291 R N 1.207 121.880 120.500 0.289 0.000 2.725 291 R HA 0.562 4.902 4.340 -0.001 0.000 0.277 291 R C -1.018 175.418 176.300 0.226 0.000 0.987 291 R CA -0.945 55.296 56.100 0.235 0.000 0.901 291 R CB 1.343 31.785 30.300 0.236 0.000 1.207 291 R HN 0.427 nan 8.270 nan 0.000 0.463 292 L N 3.920 125.250 121.223 0.178 0.000 2.265 292 L HA 0.433 4.772 4.340 -0.001 0.000 0.289 292 L C -0.795 176.190 176.870 0.192 0.000 1.033 292 L CA -0.768 54.178 54.840 0.177 0.000 0.814 292 L CB 1.799 43.933 42.059 0.125 0.000 1.203 292 L HN 0.322 nan 8.230 nan 0.000 0.423 293 V N 2.528 122.605 119.914 0.271 0.000 2.417 293 V HA 0.378 4.497 4.120 -0.001 0.000 0.291 293 V C -0.025 176.227 176.094 0.264 0.000 1.024 293 V CA -0.544 61.936 62.300 0.299 0.000 0.861 293 V CB 1.952 34.051 31.823 0.460 0.000 0.985 293 V HN 0.823 nan 8.190 nan 0.000 0.436 294 S N 4.566 120.358 115.700 0.154 0.000 2.433 294 S HA 0.526 4.996 4.470 -0.001 0.000 0.310 294 S C -0.572 174.081 174.600 0.088 0.000 1.097 294 S CA -0.709 57.528 58.200 0.061 0.000 1.103 294 S CB 1.483 64.692 63.200 0.015 0.000 0.992 294 S HN 0.739 nan 8.310 nan 0.000 0.469 295 Q N 2.754 122.582 119.800 0.047 0.000 2.278 295 Q HA 0.460 4.800 4.340 -0.001 0.000 0.257 295 Q C -1.643 174.378 176.000 0.035 0.000 0.928 295 Q CA -0.659 55.195 55.803 0.085 0.000 0.932 295 Q CB 0.731 29.542 28.738 0.121 0.000 1.221 295 Q HN 0.745 nan 8.270 nan 0.000 0.434 296 L N 4.285 125.558 121.223 0.082 0.000 2.298 296 L HA 0.357 4.696 4.340 -0.001 0.000 0.284 296 L C -0.456 176.630 176.870 0.358 0.000 1.013 296 L CA -0.296 54.653 54.840 0.182 0.000 0.824 296 L CB 1.302 43.349 42.059 -0.021 0.000 1.221 296 L HN 0.618 nan 8.230 nan 0.000 0.418 297 H N 3.893 123.110 119.070 0.244 0.000 2.638 297 H HA 0.273 4.828 4.556 -0.001 0.000 0.303 297 H C -1.068 174.346 175.328 0.143 0.000 1.034 297 H CA -0.931 55.194 56.048 0.129 0.000 1.225 297 H CB 0.784 30.537 29.762 -0.016 0.000 1.394 297 H HN 0.507 nan 8.280 nan 0.000 0.477 298 F N 5.152 125.152 119.950 0.084 0.000 2.462 298 F HA 0.075 4.601 4.527 -0.001 0.000 0.360 298 F C 0.771 176.557 175.800 -0.023 0.000 1.134 298 F CA 0.204 58.049 58.000 -0.258 0.000 1.148 298 F CB 0.943 39.491 39.000 -0.754 0.000 1.147 298 F HN 0.551 nan 8.300 nan 0.000 0.550 299 T N 2.830 117.136 114.554 -0.413 0.000 3.035 299 T HA -0.023 4.327 4.350 -0.001 0.000 0.259 299 T C 2.289 176.818 174.700 -0.285 0.000 1.078 299 T CA 1.182 63.089 62.100 -0.321 0.000 1.132 299 T CB -0.035 68.614 68.868 -0.365 0.000 0.900 299 T HN 0.704 nan 8.240 nan 0.000 0.480 300 S N 0.504 115.835 115.700 -0.616 0.000 2.481 300 S HA -0.013 4.456 4.470 -0.001 0.000 0.231 300 S C 0.749 175.320 174.600 -0.049 0.000 0.996 300 S CA 0.074 58.063 58.200 -0.352 0.000 0.942 300 S CB -0.493 62.407 63.200 -0.499 0.000 0.768 300 S HN 0.505 nan 8.310 nan 0.000 0.520 301 W N 4.353 125.644 121.300 -0.015 0.000 2.397 301 W HA 0.222 4.882 4.660 -0.000 0.000 0.327 301 W C -2.490 173.957 176.519 -0.120 0.000 1.421 301 W CA -1.851 55.495 57.345 0.002 0.000 1.288 301 W CB 0.454 29.948 29.460 0.058 0.000 1.312 301 W HN 0.145 nan 8.180 nan 0.000 0.559 302 P HA 0.099 nan 4.420 nan 0.000 0.274 302 P C 0.543 177.895 177.300 0.086 0.000 1.237 302 P CA 0.751 63.858 63.100 0.010 0.000 0.793 302 P CB 0.624 32.237 31.700 -0.145 0.000 0.977 303 D N 1.415 121.822 120.400 0.011 0.000 2.106 303 D HA -0.134 4.506 4.640 -0.001 0.000 0.191 303 D C 0.256 176.315 176.300 -0.401 0.000 0.997 303 D CA 1.374 55.273 54.000 -0.169 0.000 0.834 303 D CB -0.514 40.235 40.800 -0.086 0.000 0.956 303 D HN 0.429 nan 8.370 nan 0.000 0.448 304 F N -1.709 118.280 119.950 0.066 0.000 2.565 304 F HA 0.604 5.130 4.527 -0.001 0.000 0.313 304 F C 0.906 176.728 175.800 0.036 0.000 1.091 304 F CA -0.149 57.885 58.000 0.057 0.000 0.915 304 F CB 2.577 41.595 39.000 0.031 0.000 1.208 304 F HN 0.562 nan 8.300 nan 0.000 0.453 305 G N 0.531 109.462 108.800 0.218 0.000 2.712 305 G HA2 0.191 4.151 3.960 -0.001 0.000 0.683 305 G HA3 0.191 4.151 3.960 -0.001 0.000 0.683 305 G C -1.199 173.640 174.900 -0.101 0.000 1.320 305 G CA -0.745 44.388 45.100 0.056 0.000 0.847 305 G HN 1.308 nan 8.290 nan 0.000 0.553 306 V N -2.171 117.532 119.914 -0.350 0.000 3.234 306 V HA 0.900 5.019 4.120 -0.001 0.000 0.317 306 V C -1.807 173.625 176.094 -1.104 0.000 1.081 306 V CA -1.819 59.939 62.300 -0.904 0.000 1.037 306 V CB 1.274 32.528 31.823 -0.948 0.000 1.148 306 V HN 0.788 nan 8.190 nan 0.000 0.453 307 P HA 0.249 nan 4.420 nan 0.000 0.270 307 P C -0.095 176.824 177.300 -0.635 0.000 1.223 307 P CA 0.138 62.556 63.100 -1.135 0.000 0.785 307 P CB 0.199 31.438 31.700 -0.769 0.000 0.923 308 F N -0.763 119.119 119.950 -0.114 0.000 2.094 308 F HA 0.138 4.665 4.527 -0.001 0.000 0.291 308 F C 1.896 177.685 175.800 -0.018 0.000 1.109 308 F CA 1.351 59.291 58.000 -0.099 0.000 1.221 308 F CB -1.594 37.311 39.000 -0.159 0.000 1.014 308 F HN 0.214 nan 8.300 nan 0.000 0.473 309 T N 0.181 114.885 114.554 0.250 0.000 2.944 309 T HA 0.519 4.869 4.350 -0.001 0.000 0.284 309 T C -2.066 172.747 174.700 0.188 0.000 1.010 309 T CA -2.050 60.152 62.100 0.170 0.000 1.025 309 T CB 0.467 69.422 68.868 0.145 0.000 1.079 309 T HN -0.173 nan 8.240 nan 0.000 0.516 310 P HA 0.284 nan 4.420 nan 0.000 0.275 310 P C 1.720 179.094 177.300 0.124 0.000 1.310 310 P CA 0.098 63.240 63.100 0.070 0.000 0.904 310 P CB -0.623 30.922 31.700 -0.259 0.000 1.381 311 I N 0.714 121.378 120.570 0.157 0.000 2.163 311 I HA -0.144 4.026 4.170 -0.001 0.000 0.243 311 I C 2.413 178.667 176.117 0.228 0.000 1.085 311 I CA 2.587 63.997 61.300 0.183 0.000 1.347 311 I CB -2.005 36.093 38.000 0.163 0.000 1.044 311 I HN 0.154 nan 8.210 nan 0.000 0.408 312 G N -0.550 108.410 108.800 0.265 0.000 2.480 312 G HA2 -0.333 3.627 3.960 -0.001 0.000 0.216 312 G HA3 -0.333 3.627 3.960 -0.001 0.000 0.216 312 G C 1.736 176.901 174.900 0.442 0.000 1.200 312 G CA 1.611 46.930 45.100 0.365 0.000 0.782 312 G HN 0.614 nan 8.290 nan 0.000 0.554 313 M N 0.242 120.053 119.600 0.352 0.000 2.202 313 M HA 0.128 4.608 4.480 -0.001 0.000 0.262 313 M C 2.296 178.731 176.300 0.224 0.000 1.063 313 M CA 1.147 56.575 55.300 0.212 0.000 1.097 313 M CB -0.375 32.316 32.600 0.152 0.000 1.382 313 M HN 0.201 nan 8.290 nan 0.000 0.413 314 L N -0.495 120.832 121.223 0.173 0.000 2.109 314 L HA -0.146 4.193 4.340 -0.001 0.000 0.207 314 L C 2.787 179.746 176.870 0.148 0.000 1.086 314 L CA 1.519 56.422 54.840 0.106 0.000 0.760 314 L CB -1.034 41.092 42.059 0.111 0.000 0.910 314 L HN 0.359 nan 8.230 nan 0.000 0.437 315 K N 0.010 120.545 120.400 0.225 0.000 2.026 315 K HA -0.249 4.070 4.320 -0.001 0.000 0.208 315 K C 1.875 178.592 176.600 0.196 0.000 1.048 315 K CA 1.781 58.207 56.287 0.232 0.000 0.929 315 K CB -1.471 31.209 32.500 0.300 0.000 0.713 315 K HN 0.263 nan 8.250 nan 0.000 0.439 316 F N 0.742 120.736 119.950 0.074 0.000 2.126 316 F HA -0.079 4.448 4.527 -0.001 0.000 0.299 316 F C 2.032 177.817 175.800 -0.025 0.000 1.096 316 F CA 1.710 59.640 58.000 -0.116 0.000 1.255 316 F CB -0.177 38.874 39.000 0.085 0.000 0.997 316 F HN 0.154 nan 8.300 nan 0.000 0.479 317 L N 0.523 121.797 121.223 0.085 0.000 2.291 317 L HA -0.055 4.284 4.340 -0.001 0.000 0.214 317 L C 2.536 179.340 176.870 -0.110 0.000 1.120 317 L CA 1.609 56.425 54.840 -0.040 0.000 0.799 317 L CB -0.714 41.276 42.059 -0.115 0.000 0.925 317 L HN 0.168 nan 8.230 nan 0.000 0.446 318 K N -0.139 120.223 120.400 -0.065 0.000 2.167 318 K HA -0.148 4.172 4.320 -0.001 0.000 0.203 318 K C 2.070 178.630 176.600 -0.068 0.000 1.052 318 K CA 1.449 57.709 56.287 -0.044 0.000 0.956 318 K CB -0.460 32.055 32.500 0.026 0.000 0.735 318 K HN 0.227 nan 8.250 nan 0.000 0.451 319 K N 0.392 120.719 120.400 -0.122 0.000 2.148 319 K HA 0.009 4.329 4.320 -0.001 0.000 0.204 319 K C 1.933 178.421 176.600 -0.186 0.000 1.050 319 K CA 1.193 57.395 56.287 -0.141 0.000 0.942 319 K CB -0.394 31.987 32.500 -0.199 0.000 0.724 319 K HN 0.151 nan 8.250 nan 0.000 0.446 320 V N 0.972 120.726 119.914 -0.267 0.000 2.307 320 V HA -0.255 3.864 4.120 -0.001 0.000 0.245 320 V C 2.640 178.684 176.094 -0.083 0.000 1.045 320 V CA 2.471 64.664 62.300 -0.179 0.000 1.024 320 V CB -0.866 30.890 31.823 -0.112 0.000 0.651 320 V HN 0.551 nan 8.190 nan 0.000 0.449 321 K N -0.565 119.793 120.400 -0.071 0.000 2.113 321 K HA -0.296 4.023 4.320 -0.001 0.000 0.208 321 K C 2.134 178.702 176.600 -0.052 0.000 1.047 321 K CA 2.445 58.698 56.287 -0.057 0.000 0.928 321 K CB -1.581 30.884 32.500 -0.060 0.000 0.716 321 K HN 0.549 nan 8.250 nan 0.000 0.446 322 T N 0.860 115.385 114.554 -0.048 0.000 2.737 322 T HA 0.037 4.387 4.350 -0.001 0.000 0.265 322 T C 1.786 176.468 174.700 -0.030 0.000 1.038 322 T CA 1.366 63.449 62.100 -0.029 0.000 1.144 322 T CB -0.159 68.702 68.868 -0.012 0.000 0.866 322 T HN 0.384 nan 8.240 nan 0.000 0.434 323 L N 0.550 121.749 121.223 -0.040 0.000 2.558 323 L HA 0.235 4.574 4.340 -0.001 0.000 0.225 323 L C 0.674 177.520 176.870 -0.041 0.000 1.128 323 L CA -0.102 54.719 54.840 -0.031 0.000 0.868 323 L CB -0.252 41.789 42.059 -0.030 0.000 1.006 323 L HN 0.107 nan 8.230 nan 0.000 0.454 324 N N 1.505 120.170 118.700 -0.058 0.000 2.419 324 N HA 0.223 4.962 4.740 -0.001 0.000 0.264 324 N C -2.348 173.093 175.510 -0.115 0.000 1.031 324 N CA -1.590 51.410 53.050 -0.084 0.000 0.951 324 N CB 1.006 39.443 38.487 -0.084 0.000 1.101 324 N HN -0.127 nan 8.380 nan 0.000 0.488 325 P HA 0.073 nan 4.420 nan 0.000 0.271 325 P C 1.156 178.292 177.300 -0.273 0.000 1.216 325 P CA -0.196 62.761 63.100 -0.239 0.000 0.776 325 P CB 0.631 32.062 31.700 -0.448 0.000 0.881 326 V N 3.646 123.475 119.914 -0.142 0.000 2.317 326 V HA -0.304 3.816 4.120 -0.001 0.000 0.251 326 V C 2.429 178.469 176.094 -0.091 0.000 1.065 326 V CA 2.593 64.841 62.300 -0.087 0.000 1.049 326 V CB -1.710 30.105 31.823 -0.014 0.000 0.651 326 V HN 0.810 nan 8.190 nan 0.000 0.450 327 H N -0.272 118.776 119.070 -0.037 0.000 2.529 327 H HA 0.471 5.027 4.556 -0.001 0.000 0.277 327 H C 1.151 176.449 175.328 -0.050 0.000 0.999 327 H CA 0.644 56.667 56.048 -0.042 0.000 1.256 327 H CB -0.377 29.363 29.762 -0.036 0.000 1.402 327 H HN 0.664 nan 8.280 nan 0.000 0.566 328 A N 1.432 123.964 122.820 -0.480 0.000 2.346 328 A HA 0.423 4.743 4.320 -0.001 0.000 0.255 328 A C 1.181 178.690 177.584 -0.124 0.000 1.113 328 A CA 0.148 52.010 52.037 -0.293 0.000 0.798 328 A CB -0.294 18.511 19.000 -0.325 0.000 1.073 328 A HN 0.559 nan 8.150 nan 0.000 0.502 329 G N -0.698 108.049 108.800 -0.088 0.000 2.516 329 G HA2 0.494 4.454 3.960 -0.001 0.000 0.276 329 G HA3 0.494 4.454 3.960 -0.001 0.000 0.276 329 G C -2.363 172.494 174.900 -0.072 0.000 1.390 329 G CA -0.871 44.190 45.100 -0.065 0.000 1.050 329 G HN 0.660 nan 8.290 nan 0.000 0.519 330 P HA 0.183 nan 4.420 nan 0.000 0.272 330 P C -0.245 177.036 177.300 -0.031 0.000 1.223 330 P CA -0.017 63.061 63.100 -0.036 0.000 0.784 330 P CB 0.970 32.713 31.700 0.072 0.000 0.923 331 I N 1.756 122.300 120.570 -0.044 0.000 2.396 331 I HA 0.065 4.234 4.170 -0.001 0.000 0.289 331 I C 0.466 176.663 176.117 0.132 0.000 1.056 331 I CA -0.683 60.645 61.300 0.047 0.000 1.365 331 I CB 0.760 38.823 38.000 0.106 0.000 1.407 331 I HN 0.011 nan 8.210 nan 0.000 0.509 332 V N 8.099 128.056 119.914 0.072 0.000 2.427 332 V HA 0.114 4.234 4.120 -0.001 0.000 0.268 332 V C 0.260 176.417 176.094 0.105 0.000 1.046 332 V CA -0.268 62.071 62.300 0.065 0.000 0.970 332 V CB 1.018 32.826 31.823 -0.026 0.000 1.001 332 V HN 0.401 nan 8.190 nan 0.000 0.476 333 V N 6.117 126.089 119.914 0.098 0.000 2.448 333 V HA 0.580 4.700 4.120 -0.001 0.000 0.295 333 V C -0.387 175.714 176.094 0.011 0.000 1.025 333 V CA -0.621 61.665 62.300 -0.023 0.000 0.859 333 V CB 1.456 33.237 31.823 -0.070 0.000 0.988 333 V HN 1.148 nan 8.190 nan 0.000 0.431 334 H N 2.291 121.299 119.070 -0.102 0.000 2.961 334 H HA 0.829 5.384 4.556 -0.001 0.000 0.371 334 H C -0.098 175.138 175.328 -0.153 0.000 1.190 334 H CA -0.317 55.664 56.048 -0.112 0.000 1.138 334 H CB 1.559 31.256 29.762 -0.108 0.000 1.816 334 H HN 0.672 nan 8.280 nan 0.000 0.551 335 C N 0.455 119.737 119.300 -0.029 0.000 3.185 335 C HA 0.611 5.070 4.460 -0.001 0.000 0.077 335 C C 1.823 176.833 174.990 0.033 0.000 2.338 335 C CA 0.498 59.452 59.018 -0.106 0.000 1.535 335 C CB 0.838 28.436 27.740 -0.236 0.000 2.550 335 C HN 0.785 nan 8.230 nan 0.000 0.425 336 S N 0.198 115.895 115.700 -0.005 0.000 2.694 336 S HA 0.359 4.828 4.470 -0.001 0.000 0.225 336 S C 1.877 176.587 174.600 0.183 0.000 1.012 336 S CA 1.046 59.303 58.200 0.095 0.000 0.896 336 S CB -0.610 62.661 63.200 0.118 0.000 0.838 336 S HN 0.991 nan 8.310 nan 0.000 0.604 337 A N -0.128 122.756 122.820 0.107 0.000 2.081 337 A HA 0.492 4.812 4.320 -0.001 0.000 0.214 337 A C 1.672 179.289 177.584 0.055 0.000 1.158 337 A CA 1.121 53.227 52.037 0.115 0.000 0.724 337 A CB -0.897 18.003 19.000 -0.166 0.000 0.826 337 A HN 1.456 nan 8.150 nan 0.000 0.463 338 G N -1.475 107.327 108.800 0.004 0.000 2.159 338 G HA2 -0.088 3.872 3.960 -0.001 0.000 0.256 338 G HA3 -0.088 3.872 3.960 -0.001 0.000 0.256 338 G C 0.248 175.132 174.900 -0.027 0.000 0.977 338 G CA 0.680 45.775 45.100 -0.007 0.000 0.652 338 G HN 1.867 nan 8.290 nan 0.000 0.531 339 V N -3.922 115.965 119.914 -0.045 0.000 2.760 339 V HA 0.999 5.119 4.120 -0.001 0.000 0.309 339 V C 0.752 176.804 176.094 -0.070 0.000 1.077 339 V CA 0.554 62.828 62.300 -0.043 0.000 0.910 339 V CB 1.380 33.189 31.823 -0.023 0.000 1.008 339 V HN 2.115 nan 8.190 nan 0.000 0.424 340 G N 4.511 113.276 108.800 -0.059 0.000 1.829 340 G HA2 -0.161 3.798 3.960 -0.001 0.000 0.214 340 G HA3 -0.161 3.798 3.960 -0.001 0.000 0.214 340 G C 0.646 175.470 174.900 -0.127 0.000 1.627 340 G CA 0.280 45.336 45.100 -0.074 0.000 1.390 340 G HN 0.801 nan 8.290 nan 0.000 0.458 341 R N 0.137 120.451 120.500 -0.311 0.000 2.073 341 R HA 0.102 4.442 4.340 -0.001 0.000 0.234 341 R C 2.850 178.995 176.300 -0.257 0.000 1.134 341 R CA 2.160 57.941 56.100 -0.531 0.000 0.952 341 R CB -0.887 28.794 30.300 -1.032 0.000 0.850 341 R HN 0.491 nan 8.270 nan 0.000 0.433 342 T N -0.422 113.997 114.554 -0.224 0.000 2.737 342 T HA -0.148 4.202 4.350 -0.001 0.000 0.269 342 T C 1.805 176.487 174.700 -0.031 0.000 1.040 342 T CA 1.685 63.707 62.100 -0.131 0.000 1.142 342 T CB -0.421 68.375 68.868 -0.120 0.000 0.861 342 T HN 0.523 nan 8.240 nan 0.000 0.456 343 G N 0.322 109.107 108.800 -0.025 0.000 2.404 343 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.214 343 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.214 343 G C 1.862 176.802 174.900 0.066 0.000 1.189 343 G CA 1.640 46.751 45.100 0.017 0.000 0.789 343 G HN 0.631 nan 8.290 nan 0.000 0.533 344 T N -1.021 113.591 114.554 0.097 0.000 2.737 344 T HA -0.194 4.156 4.350 -0.001 0.000 0.269 344 T C 2.121 176.907 174.700 0.144 0.000 1.040 344 T CA 1.474 63.667 62.100 0.156 0.000 1.142 344 T CB -0.448 68.579 68.868 0.266 0.000 0.861 344 T HN 0.175 nan 8.240 nan 0.000 0.456 345 F N 1.853 121.798 119.950 -0.008 0.000 2.075 345 F HA 0.091 4.618 4.527 -0.001 0.000 0.297 345 F C 2.095 177.810 175.800 -0.143 0.000 1.113 345 F CA 1.053 59.026 58.000 -0.044 0.000 1.218 345 F CB -0.360 38.599 39.000 -0.070 0.000 0.984 345 F HN 0.091 nan 8.300 nan 0.000 0.472 346 I N -0.397 120.115 120.570 -0.096 0.000 2.208 346 I HA -0.317 3.852 4.170 -0.001 0.000 0.245 346 I C 2.256 178.272 176.117 -0.169 0.000 1.097 346 I CA 1.273 62.337 61.300 -0.394 0.000 1.363 346 I CB -0.595 37.167 38.000 -0.396 0.000 1.051 346 I HN 0.037 nan 8.210 nan 0.000 0.413 347 V N 0.997 120.908 119.914 -0.005 0.000 2.295 347 V HA -0.289 3.830 4.120 -0.001 0.000 0.246 347 V C 2.311 178.284 176.094 -0.202 0.000 1.049 347 V CA 1.899 64.216 62.300 0.029 0.000 1.024 347 V CB -0.440 31.451 31.823 0.113 0.000 0.648 347 V HN 0.338 nan 8.190 nan 0.000 0.447 348 I N 0.812 121.250 120.570 -0.219 0.000 2.208 348 I HA -0.285 3.885 4.170 -0.001 0.000 0.245 348 I C 2.627 178.532 176.117 -0.355 0.000 1.097 348 I CA 2.000 63.127 61.300 -0.288 0.000 1.363 348 I CB -0.943 36.903 38.000 -0.256 0.000 1.051 348 I HN 0.535 nan 8.210 nan 0.000 0.413 349 D N 0.830 120.995 120.400 -0.392 0.000 2.078 349 D HA -0.108 4.531 4.640 -0.001 0.000 0.193 349 D C 2.311 178.467 176.300 -0.240 0.000 0.990 349 D CA 1.556 55.369 54.000 -0.311 0.000 0.827 349 D CB -0.636 40.038 40.800 -0.209 0.000 0.975 349 D HN 0.438 nan 8.370 nan 0.000 0.451 350 A N -0.160 122.511 122.820 -0.249 0.000 1.892 350 A HA -0.129 4.191 4.320 -0.001 0.000 0.218 350 A C 2.302 179.612 177.584 -0.457 0.000 1.188 350 A CA 2.650 54.464 52.037 -0.372 0.000 0.631 350 A CB -0.467 17.957 19.000 -0.960 0.000 0.822 350 A HN 0.460 nan 8.150 nan 0.000 0.447 351 M N -1.409 117.913 119.600 -0.463 0.000 2.319 351 M HA 0.056 4.536 4.480 -0.001 0.000 0.265 351 M C 2.216 178.322 176.300 -0.324 0.000 1.068 351 M CA 1.101 56.161 55.300 -0.400 0.000 1.118 351 M CB -1.169 31.219 32.600 -0.355 0.000 1.395 351 M HN 0.462 nan 8.290 nan 0.000 0.435 352 M N -0.207 119.206 119.600 -0.313 0.000 2.117 352 M HA -0.162 4.318 4.480 -0.001 0.000 0.262 352 M C 2.357 178.564 176.300 -0.155 0.000 1.065 352 M CA 1.844 56.989 55.300 -0.259 0.000 1.114 352 M CB -0.571 31.745 32.600 -0.474 0.000 1.361 352 M HN 0.301 nan 8.290 nan 0.000 0.408 353 A N 0.138 122.810 122.820 -0.246 0.000 1.883 353 A HA -0.252 4.068 4.320 -0.001 0.000 0.217 353 A C 2.202 179.437 177.584 -0.582 0.000 1.186 353 A CA 2.028 53.895 52.037 -0.283 0.000 0.624 353 A CB -0.780 18.096 19.000 -0.208 0.000 0.822 353 A HN 0.557 nan 8.150 nan 0.000 0.444 354 M N -1.207 117.857 119.600 -0.894 0.000 2.117 354 M HA -0.162 4.318 4.480 -0.001 0.000 0.262 354 M C 2.244 178.309 176.300 -0.391 0.000 1.065 354 M CA 1.830 56.561 55.300 -0.948 0.000 1.114 354 M CB -0.238 31.968 32.600 -0.657 0.000 1.361 354 M HN 0.494 nan 8.290 nan 0.000 0.408 355 M N -1.369 118.082 119.600 -0.248 0.000 2.065 355 M HA -0.266 4.213 4.480 -0.001 0.000 0.259 355 M C 1.828 178.065 176.300 -0.105 0.000 1.069 355 M CA 1.835 57.048 55.300 -0.145 0.000 1.110 355 M CB -0.940 31.617 32.600 -0.071 0.000 1.328 355 M HN 0.333 nan 8.290 nan 0.000 0.405 356 H N -0.756 118.272 119.070 -0.069 0.000 2.567 356 H HA 0.024 4.579 4.556 -0.001 0.000 0.276 356 H C 1.483 176.787 175.328 -0.039 0.000 1.016 356 H CA 0.840 56.874 56.048 -0.023 0.000 1.186 356 H CB 0.263 30.032 29.762 0.012 0.000 1.351 356 H HN 0.406 nan 8.280 nan 0.000 0.605 357 A N -0.486 122.346 122.820 0.020 0.000 1.989 357 A HA 0.205 4.525 4.320 -0.001 0.000 0.201 357 A C 2.016 179.619 177.584 0.031 0.000 1.720 357 A CA 0.547 52.612 52.037 0.047 0.000 0.956 357 A CB -0.408 18.647 19.000 0.092 0.000 1.094 357 A HN 0.390 nan 8.150 nan 0.000 0.561 358 E N -1.960 118.232 120.200 -0.012 0.000 2.385 358 E HA 0.306 4.656 4.350 -0.001 0.000 0.194 358 E C 1.295 177.883 176.600 -0.020 0.000 1.013 358 E CA 2.019 58.426 56.400 0.012 0.000 0.866 358 E CB -1.029 28.691 29.700 0.033 0.000 0.832 358 E HN 1.886 nan 8.360 nan 0.000 0.500 359 Q N -2.878 116.888 119.800 -0.057 0.000 2.452 359 Q HA -0.077 4.263 4.340 -0.001 0.000 0.248 359 Q C 0.832 176.773 176.000 -0.099 0.000 0.874 359 Q CA 2.750 58.505 55.803 -0.080 0.000 1.208 359 Q CB -3.006 25.701 28.738 -0.052 0.000 1.569 359 Q HN 1.888 nan 8.270 nan 0.000 0.579 360 K N -1.428 118.921 120.400 -0.084 0.000 2.409 360 K HA 1.018 5.338 4.320 -0.001 0.000 0.252 360 K C -0.394 176.153 176.600 -0.088 0.000 1.036 360 K CA -0.064 56.179 56.287 -0.072 0.000 0.871 360 K CB 1.948 34.441 32.500 -0.013 0.000 1.374 360 K HN 1.587 nan 8.250 nan 0.000 0.459 361 V N 1.093 120.970 119.914 -0.061 0.000 2.808 361 V HA 0.618 4.738 4.120 -0.001 0.000 0.308 361 V C -2.044 174.048 176.094 -0.003 0.000 1.099 361 V CA -0.449 61.803 62.300 -0.079 0.000 0.920 361 V CB 2.024 33.764 31.823 -0.138 0.000 1.014 361 V HN 0.999 nan 8.190 nan 0.000 0.425 362 D N 4.326 124.731 120.400 0.007 0.000 2.330 362 D HA 0.323 4.963 4.640 -0.001 0.000 0.249 362 D C 0.493 176.871 176.300 0.130 0.000 1.306 362 D CA -0.130 53.941 54.000 0.118 0.000 0.956 362 D CB 1.881 42.782 40.800 0.168 0.000 1.261 362 D HN 0.237 nan 8.370 nan 0.000 0.544 363 V N 3.270 123.234 119.914 0.085 0.000 2.453 363 V HA -0.110 4.010 4.120 -0.001 0.000 0.247 363 V C 2.089 178.375 176.094 0.321 0.000 1.048 363 V CA 1.078 63.419 62.300 0.069 0.000 1.049 363 V CB -0.644 31.008 31.823 -0.284 0.000 0.672 363 V HN 0.506 nan 8.190 nan 0.000 0.457 364 F N 1.896 122.010 119.950 0.272 0.000 2.146 364 F HA -0.111 4.415 4.527 -0.001 0.000 0.298 364 F C 2.538 178.452 175.800 0.189 0.000 1.096 364 F CA 2.006 60.158 58.000 0.254 0.000 1.275 364 F CB -0.498 38.610 39.000 0.181 0.000 1.008 364 F HN 0.222 nan 8.300 nan 0.000 0.480 365 E N 0.339 120.776 120.200 0.395 0.000 2.058 365 E HA -0.301 4.049 4.350 -0.001 0.000 0.194 365 E C 1.968 178.671 176.600 0.171 0.000 0.997 365 E CA 1.745 58.304 56.400 0.265 0.000 0.801 365 E CB -1.676 28.188 29.700 0.273 0.000 0.746 365 E HN 0.536 nan 8.360 nan 0.000 0.450 366 F N 0.734 120.729 119.950 0.075 0.000 2.084 366 F HA -0.076 4.451 4.527 -0.001 0.000 0.296 366 F C 2.542 178.348 175.800 0.010 0.000 1.111 366 F CA 1.655 59.684 58.000 0.048 0.000 1.224 366 F CB -0.324 38.709 39.000 0.054 0.000 0.991 366 F HN 0.084 nan 8.300 nan 0.000 0.471 367 V N 0.352 120.310 119.914 0.073 0.000 2.324 367 V HA -0.350 3.769 4.120 -0.001 0.000 0.250 367 V C 2.900 178.878 176.094 -0.192 0.000 1.060 367 V CA 2.183 64.454 62.300 -0.049 0.000 1.042 367 V CB -1.785 30.092 31.823 0.089 0.000 0.650 367 V HN 0.585 nan 8.190 nan 0.000 0.450 368 S N 0.172 115.730 115.700 -0.237 0.000 2.370 368 S HA -0.304 4.166 4.470 -0.001 0.000 0.226 368 S C 2.301 176.790 174.600 -0.184 0.000 1.033 368 S CA 2.864 60.917 58.200 -0.246 0.000 1.011 368 S CB -0.595 62.458 63.200 -0.245 0.000 0.852 368 S HN 0.577 nan 8.310 nan 0.000 0.457 369 R N 1.388 121.769 120.500 -0.198 0.000 2.070 369 R HA 0.140 4.480 4.340 -0.001 0.000 0.233 369 R C 2.342 178.482 176.300 -0.265 0.000 1.137 369 R CA 1.648 57.620 56.100 -0.212 0.000 0.945 369 R CB -1.758 28.409 30.300 -0.221 0.000 0.845 369 R HN 1.125 nan 8.270 nan 0.000 0.430 370 I N -1.775 118.547 120.570 -0.413 0.000 2.614 370 I HA -0.070 4.100 4.170 -0.001 0.000 0.258 370 I C 2.210 178.220 176.117 -0.178 0.000 1.189 370 I CA 1.262 62.367 61.300 -0.325 0.000 1.462 370 I CB -0.173 37.582 38.000 -0.408 0.000 1.092 370 I HN 0.175 nan 8.210 nan 0.000 0.442 371 R N 1.238 121.637 120.500 -0.168 0.000 2.148 371 R HA -0.007 4.333 4.340 -0.001 0.000 0.223 371 R C 1.420 177.659 176.300 -0.101 0.000 1.088 371 R CA 0.983 57.010 56.100 -0.122 0.000 0.985 371 R CB -0.382 29.840 30.300 -0.130 0.000 0.880 371 R HN 0.468 nan 8.270 nan 0.000 0.451 372 N N 0.884 119.521 118.700 -0.104 0.000 2.571 372 N HA -0.096 4.643 4.740 -0.001 0.000 0.189 372 N C 1.086 176.555 175.510 -0.068 0.000 1.154 372 N CA 0.868 53.867 53.050 -0.085 0.000 0.907 372 N CB 0.229 38.663 38.487 -0.087 0.000 0.977 372 N HN 0.441 nan 8.380 nan 0.000 0.449 373 Q N -0.542 119.224 119.800 -0.057 0.000 2.394 373 Q HA 0.201 4.540 4.340 -0.001 0.000 0.218 373 Q C 0.429 176.419 176.000 -0.017 0.000 0.907 373 Q CA 0.228 56.023 55.803 -0.013 0.000 0.919 373 Q CB 1.204 29.946 28.738 0.007 0.000 1.051 373 Q HN 0.084 nan 8.270 nan 0.000 0.538 374 R N 1.301 121.780 120.500 -0.034 0.000 2.523 374 R HA 0.268 4.608 4.340 -0.001 0.000 0.278 374 R C -3.005 173.269 176.300 -0.043 0.000 1.150 374 R CA -1.721 54.367 56.100 -0.019 0.000 0.987 374 R CB 1.871 32.165 30.300 -0.009 0.000 1.232 374 R HN -0.134 nan 8.270 nan 0.000 0.424 375 P HA 0.025 nan 4.420 nan 0.000 0.274 375 P C -0.781 176.473 177.300 -0.077 0.000 1.237 375 P CA 0.323 63.335 63.100 -0.147 0.000 0.793 375 P CB 0.699 32.133 31.700 -0.443 0.000 0.977 376 Q N -0.919 118.847 119.800 -0.057 0.000 2.475 376 Q HA -0.190 4.150 4.340 -0.001 0.000 0.280 376 Q C 0.954 176.959 176.000 0.007 0.000 1.234 376 Q CA 0.489 56.291 55.803 -0.001 0.000 0.873 376 Q CB -1.863 26.901 28.738 0.042 0.000 1.256 376 Q HN 0.471 nan 8.270 nan 0.000 0.475 377 M N -0.483 119.113 119.600 -0.008 0.000 2.086 377 M HA -0.053 4.427 4.480 -0.001 0.000 0.261 377 M C 0.975 177.303 176.300 0.047 0.000 1.067 377 M CA 1.359 56.661 55.300 0.003 0.000 1.116 377 M CB 0.000 32.587 32.600 -0.022 0.000 1.348 377 M HN 0.131 nan 8.290 nan 0.000 0.407 378 V N 0.991 120.973 119.914 0.113 0.000 2.350 378 V HA 0.149 4.268 4.120 -0.001 0.000 0.276 378 V C 1.049 177.294 176.094 0.252 0.000 1.028 378 V CA -0.383 62.028 62.300 0.185 0.000 0.860 378 V CB 1.343 33.339 31.823 0.288 0.000 0.990 378 V HN 0.378 nan 8.190 nan 0.000 0.453 379 Q N 2.693 122.585 119.800 0.153 0.000 2.163 379 Q HA 0.121 4.461 4.340 -0.001 0.000 0.198 379 Q C 1.031 177.151 176.000 0.200 0.000 0.954 379 Q CA 1.328 57.229 55.803 0.162 0.000 0.851 379 Q CB 0.367 29.136 28.738 0.051 0.000 0.928 379 Q HN 0.961 nan 8.270 nan 0.000 0.459 380 T N -0.967 113.595 114.554 0.013 0.000 2.885 380 T HA 0.399 4.748 4.350 -0.001 0.000 0.285 380 T C 0.614 174.936 174.700 -0.631 0.000 1.019 380 T CA 0.077 62.080 62.100 -0.162 0.000 1.010 380 T CB 0.865 69.704 68.868 -0.049 0.000 1.022 380 T HN 0.128 nan 8.240 nan 0.000 0.466 381 D N 1.255 121.184 120.400 -0.784 0.000 2.106 381 D HA -0.182 4.458 4.640 -0.001 0.000 0.191 381 D C 2.064 178.166 176.300 -0.329 0.000 0.997 381 D CA 2.165 55.701 54.000 -0.774 0.000 0.834 381 D CB -0.602 40.020 40.800 -0.296 0.000 0.956 381 D HN 0.830 nan 8.370 nan 0.000 0.448 382 M N -0.540 118.954 119.600 -0.177 0.000 2.143 382 M HA -0.290 4.190 4.480 -0.001 0.000 0.258 382 M C 2.446 178.719 176.300 -0.045 0.000 1.071 382 M CA 2.143 57.394 55.300 -0.081 0.000 1.088 382 M CB -0.150 32.423 32.600 -0.045 0.000 1.360 382 M HN 0.367 nan 8.290 nan 0.000 0.404 383 Q N -1.679 118.094 119.800 -0.045 0.000 2.172 383 Q HA -0.184 4.156 4.340 -0.001 0.000 0.200 383 Q C 1.780 177.836 176.000 0.094 0.000 0.964 383 Q CA 1.549 57.388 55.803 0.059 0.000 0.855 383 Q CB -0.173 28.616 28.738 0.085 0.000 0.918 383 Q HN 0.661 nan 8.270 nan 0.000 0.444 384 Y N 0.687 120.888 120.300 -0.165 0.000 2.263 384 Y HA -0.198 4.352 4.550 -0.001 0.000 0.292 384 Y C 2.514 178.335 175.900 -0.131 0.000 1.130 384 Y CA 1.797 59.831 58.100 -0.110 0.000 1.179 384 Y CB -0.189 38.164 38.460 -0.177 0.000 0.998 384 Y HN 0.198 nan 8.280 nan 0.000 0.532 385 T N -2.727 111.691 114.554 -0.226 0.000 2.985 385 T HA -0.186 4.164 4.350 -0.001 0.000 0.266 385 T C 1.816 176.415 174.700 -0.168 0.000 1.076 385 T CA 0.928 62.741 62.100 -0.477 0.000 1.135 385 T CB -1.088 67.500 68.868 -0.466 0.000 0.890 385 T HN 0.338 nan 8.240 nan 0.000 0.480 386 F N 1.877 121.715 119.950 -0.186 0.000 2.216 386 F HA 0.150 4.677 4.527 -0.001 0.000 0.300 386 F C 1.859 177.577 175.800 -0.137 0.000 1.085 386 F CA 0.574 58.488 58.000 -0.143 0.000 1.326 386 F CB -0.348 38.563 39.000 -0.148 0.000 1.027 386 F HN 0.092 nan 8.300 nan 0.000 0.497 387 I N -0.976 119.539 120.570 -0.092 0.000 2.163 387 I HA -0.367 3.802 4.170 -0.001 0.000 0.243 387 I C 2.010 177.920 176.117 -0.345 0.000 1.085 387 I CA 1.564 62.715 61.300 -0.248 0.000 1.347 387 I CB -0.679 37.133 38.000 -0.312 0.000 1.044 387 I HN 0.117 nan 8.210 nan 0.000 0.408 388 Y N 0.980 121.084 120.300 -0.327 0.000 2.163 388 Y HA -0.254 4.296 4.550 -0.001 0.000 0.288 388 Y C 2.796 178.586 175.900 -0.182 0.000 1.136 388 Y CA 1.493 59.461 58.100 -0.220 0.000 1.147 388 Y CB -0.444 37.912 38.460 -0.173 0.000 0.987 388 Y HN 0.165 nan 8.280 nan 0.000 0.509 389 Q N -0.479 119.272 119.800 -0.081 0.000 2.061 389 Q HA -0.244 4.096 4.340 -0.001 0.000 0.204 389 Q C 2.569 178.443 176.000 -0.209 0.000 0.984 389 Q CA 1.542 57.269 55.803 -0.127 0.000 0.846 389 Q CB -0.427 28.206 28.738 -0.175 0.000 0.902 389 Q HN 0.534 nan 8.270 nan 0.000 0.421 390 A N 0.867 123.425 122.820 -0.438 0.000 1.883 390 A HA -0.187 4.133 4.320 -0.001 0.000 0.217 390 A C 2.091 179.589 177.584 -0.143 0.000 1.186 390 A CA 1.243 53.053 52.037 -0.380 0.000 0.624 390 A CB -0.798 17.863 19.000 -0.564 0.000 0.822 390 A HN 0.306 nan 8.150 nan 0.000 0.444 391 L N -1.176 119.956 121.223 -0.153 0.000 2.042 391 L HA -0.199 4.140 4.340 -0.001 0.000 0.210 391 L C 2.586 179.489 176.870 0.055 0.000 1.076 391 L CA 1.303 56.111 54.840 -0.054 0.000 0.749 391 L CB -0.496 41.470 42.059 -0.154 0.000 0.893 391 L HN 0.492 nan 8.230 nan 0.000 0.432 392 L N 0.176 121.423 121.223 0.039 0.000 2.005 392 L HA -0.214 4.125 4.340 -0.001 0.000 0.207 392 L C 2.464 179.373 176.870 0.065 0.000 1.072 392 L CA 1.881 56.767 54.840 0.076 0.000 0.744 392 L CB -0.573 41.528 42.059 0.069 0.000 0.895 392 L HN 0.190 nan 8.230 nan 0.000 0.433 393 E N -1.044 119.197 120.200 0.067 0.000 2.086 393 E HA -0.364 3.986 4.350 -0.001 0.000 0.200 393 E C 2.185 178.876 176.600 0.151 0.000 1.012 393 E CA 2.077 58.559 56.400 0.137 0.000 0.812 393 E CB -0.691 29.098 29.700 0.148 0.000 0.743 393 E HN 0.620 nan 8.360 nan 0.000 0.453 394 Y N -0.685 119.636 120.300 0.034 0.000 2.497 394 Y HA -0.133 4.416 4.550 -0.001 0.000 0.292 394 Y C 1.701 177.625 175.900 0.040 0.000 1.137 394 Y CA 1.418 59.541 58.100 0.038 0.000 1.285 394 Y CB -0.215 38.246 38.460 0.002 0.000 0.991 394 Y HN 0.271 nan 8.280 nan 0.000 0.556 395 Y N -0.630 119.545 120.300 -0.210 0.000 2.222 395 Y HA -0.020 4.530 4.550 -0.001 0.000 0.290 395 Y C 2.030 177.737 175.900 -0.322 0.000 1.123 395 Y CA 1.388 59.306 58.100 -0.303 0.000 1.120 395 Y CB -0.730 37.618 38.460 -0.186 0.000 1.060 395 Y HN -0.006 nan 8.280 nan 0.000 0.508 396 L N -0.690 120.245 121.223 -0.481 0.000 2.013 396 L HA -0.295 4.045 4.340 -0.001 0.000 0.212 396 L C 1.972 178.397 176.870 -0.742 0.000 1.073 396 L CA 2.244 56.623 54.840 -0.769 0.000 0.753 396 L CB -0.728 40.776 42.059 -0.925 0.000 0.890 396 L HN 0.359 nan 8.230 nan 0.000 0.432 397 Y N -1.843 118.359 120.300 -0.162 0.000 2.559 397 Y HA 0.199 4.748 4.550 -0.001 0.000 0.279 397 Y C 2.224 178.026 175.900 -0.163 0.000 1.117 397 Y CA 0.025 58.044 58.100 -0.136 0.000 1.263 397 Y CB -0.554 37.963 38.460 0.094 0.000 1.230 397 Y HN 0.202 nan 8.280 nan 0.000 0.528 398 G N 1.615 110.373 108.800 -0.069 0.000 2.787 398 G HA2 -0.517 3.443 3.960 -0.001 0.000 0.374 398 G HA3 -0.517 3.443 3.960 -0.001 0.000 0.374 398 G C 0.473 175.337 174.900 -0.061 0.000 1.003 398 G CA 1.221 46.179 45.100 -0.237 0.000 0.833 398 G HN 0.510 nan 8.290 nan 0.000 0.824 399 D N 0.192 120.525 120.400 -0.111 0.000 2.435 399 D HA 0.525 5.165 4.640 -0.001 0.000 0.230 399 D C 1.356 177.654 176.300 -0.004 0.000 1.215 399 D CA 1.001 54.994 54.000 -0.012 0.000 0.947 399 D CB -0.488 40.303 40.800 -0.015 0.000 1.048 399 D HN 1.108 nan 8.370 nan 0.000 0.512 400 T N -3.519 111.071 114.554 0.059 0.000 3.058 400 T HA 0.474 4.823 4.350 -0.001 0.000 0.278 400 T C 0.914 175.697 174.700 0.139 0.000 0.974 400 T CA 0.740 62.891 62.100 0.086 0.000 0.893 400 T CB 0.014 68.945 68.868 0.106 0.000 1.138 400 T HN 0.741 nan 8.240 nan 0.000 0.529 401 E N 0.547 120.825 120.200 0.130 0.000 2.373 401 E HA 0.755 5.104 4.350 -0.001 0.000 0.263 401 E C -0.208 176.449 176.600 0.095 0.000 1.073 401 E CA -0.042 56.429 56.400 0.119 0.000 0.894 401 E CB 0.337 30.110 29.700 0.121 0.000 1.008 401 E HN 1.373 nan 8.360 nan 0.000 0.420 402 L N -0.845 120.429 121.223 0.085 0.000 2.465 402 L HA 0.856 5.195 4.340 -0.001 0.000 0.257 402 L C -0.042 176.862 176.870 0.057 0.000 0.988 402 L CA -0.468 54.414 54.840 0.069 0.000 0.827 402 L CB 1.030 43.134 42.059 0.075 0.000 1.397 402 L HN 1.174 nan 8.230 nan 0.000 0.410 403 D N -0.231 120.197 120.400 0.047 0.000 2.225 403 D HA 0.727 5.366 4.640 -0.001 0.000 0.249 403 D C 1.357 177.679 176.300 0.035 0.000 1.052 403 D CA 0.324 54.347 54.000 0.039 0.000 0.909 403 D CB 1.754 42.575 40.800 0.034 0.000 1.186 403 D HN 2.256 nan 8.370 nan 0.000 0.431 404 V N 0.282 120.215 119.914 0.032 0.000 2.688 404 V HA 0.091 4.211 4.120 -0.001 0.000 0.256 404 V C 2.827 178.937 176.094 0.028 0.000 1.084 404 V CA 3.377 65.696 62.300 0.032 0.000 1.103 404 V CB -1.339 30.504 31.823 0.033 0.000 0.688 404 V HN 0.954 nan 8.190 nan 0.000 0.480 405 S N 0.532 116.246 115.700 0.024 0.000 2.353 405 S HA 0.082 4.552 4.470 -0.001 0.000 0.222 405 S C 1.789 176.400 174.600 0.019 0.000 1.035 405 S CA 1.836 60.048 58.200 0.019 0.000 1.025 405 S CB -0.777 62.434 63.200 0.018 0.000 0.902 405 S HN 1.435 nan 8.310 nan 0.000 0.440 426 L N 2.551 123.788 121.223 0.024 0.000 2.201 426 L HA 0.240 4.579 4.340 -0.001 0.000 0.212 426 L C 3.137 180.148 176.870 0.235 0.000 1.105 426 L CA 2.702 57.635 54.840 0.156 0.000 0.775 426 L CB -0.838 41.272 42.059 0.085 0.000 0.913 426 L HN 0.540 nan 8.230 nan 0.000 0.440 427 E N 0.206 120.491 120.200 0.141 0.000 2.031 427 E HA -0.219 4.130 4.350 -0.001 0.000 0.193 427 E C 2.221 178.914 176.600 0.156 0.000 0.994 427 E CA 1.656 58.147 56.400 0.151 0.000 0.800 427 E CB -1.108 28.648 29.700 0.094 0.000 0.752 427 E HN 0.608 nan 8.360 nan 0.000 0.447 428 E N 1.052 121.308 120.200 0.095 0.000 2.077 428 E HA -0.246 4.103 4.350 -0.001 0.000 0.193 428 E C 1.987 178.621 176.600 0.056 0.000 0.989 428 E CA 1.425 57.859 56.400 0.057 0.000 0.800 428 E CB -0.669 29.041 29.700 0.016 0.000 0.746 428 E HN 0.788 nan 8.360 nan 0.000 0.452 429 E N -1.197 119.053 120.200 0.084 0.000 2.058 429 E HA -0.122 4.227 4.350 -0.001 0.000 0.194 429 E C 1.967 178.639 176.600 0.120 0.000 0.997 429 E CA 1.336 57.788 56.400 0.086 0.000 0.801 429 E CB -0.285 29.572 29.700 0.262 0.000 0.746 429 E HN 0.589 nan 8.360 nan 0.000 0.450 430 F N 1.268 121.173 119.950 -0.076 0.000 2.293 430 F HA -0.172 4.355 4.527 -0.001 0.000 0.300 430 F C 2.610 178.370 175.800 -0.067 0.000 1.086 430 F CA 1.741 59.608 58.000 -0.223 0.000 1.375 430 F CB -0.356 38.522 39.000 -0.203 0.000 1.045 430 F HN -0.125 nan 8.300 nan 0.000 0.516 431 R N 0.902 121.397 120.500 -0.009 0.000 2.091 431 R HA -0.173 4.166 4.340 -0.001 0.000 0.238 431 R C 2.158 178.403 176.300 -0.092 0.000 1.136 431 R CA 2.049 58.112 56.100 -0.062 0.000 0.959 431 R CB -1.452 28.860 30.300 0.021 0.000 0.856 431 R HN 0.443 nan 8.270 nan 0.000 0.437 432 K N 0.208 120.606 120.400 -0.003 0.000 2.057 432 K HA 0.010 4.329 4.320 -0.001 0.000 0.207 432 K C 2.309 178.937 176.600 0.047 0.000 1.049 432 K CA 1.455 57.803 56.287 0.102 0.000 0.931 432 K CB -0.327 32.303 32.500 0.216 0.000 0.714 432 K HN 0.314 nan 8.250 nan 0.000 0.440 433 L N 0.803 121.985 121.223 -0.067 0.000 2.131 433 L HA -0.165 4.174 4.340 -0.001 0.000 0.210 433 L C 2.062 178.737 176.870 -0.325 0.000 1.092 433 L CA 1.188 55.859 54.840 -0.281 0.000 0.759 433 L CB -0.362 41.418 42.059 -0.465 0.000 0.903 433 L HN 0.196 nan 8.230 nan 0.000 0.435 434 T N -0.875 113.438 114.554 -0.401 0.000 3.118 434 T HA -0.017 4.333 4.350 -0.001 0.000 0.260 434 T C 1.051 175.674 174.700 -0.128 0.000 1.139 434 T CA 0.541 62.462 62.100 -0.298 0.000 1.085 434 T CB -0.165 68.499 68.868 -0.339 0.000 0.934 434 T HN 0.256 nan 8.240 nan 0.000 0.518 435 N N 0.946 119.596 118.700 -0.083 0.000 2.235 435 N HA 0.191 4.931 4.740 -0.001 0.000 0.209 435 N C 0.253 175.764 175.510 0.002 0.000 1.122 435 N CA -0.047 52.994 53.050 -0.016 0.000 0.845 435 N CB 0.099 38.600 38.487 0.024 0.000 1.004 435 N HN 0.358 nan 8.380 nan 0.000 0.499 436 V N 0.804 120.692 119.914 -0.043 0.000 2.324 436 V HA 0.394 4.514 4.120 -0.001 0.000 0.244 436 V C 1.188 177.269 176.094 -0.023 0.000 1.144 436 V CA -0.369 61.908 62.300 -0.038 0.000 1.158 436 V CB -1.650 30.113 31.823 -0.099 0.000 1.254 436 V HN 0.333 nan 8.190 nan 0.000 0.492 437 R N 5.658 126.161 120.500 0.006 0.000 2.488 437 R HA 0.356 4.695 4.340 -0.001 0.000 0.317 437 R C 0.023 176.334 176.300 0.017 0.000 0.941 437 R CA 0.282 56.390 56.100 0.014 0.000 1.076 437 R CB -0.644 29.671 30.300 0.025 0.000 0.917 437 R HN 0.846 nan 8.270 nan 0.000 0.407 438 I N 2.504 123.096 120.570 0.036 0.000 2.452 438 I HA 0.168 4.338 4.170 -0.001 0.000 0.287 438 I C 1.508 177.708 176.117 0.139 0.000 1.079 438 I CA 0.106 61.473 61.300 0.112 0.000 1.387 438 I CB 1.401 39.446 38.000 0.074 0.000 1.404 438 I HN 0.836 nan 8.210 nan 0.000 0.522 439 M N 6.157 125.843 119.600 0.143 0.000 2.869 439 M HA 0.205 4.685 4.480 -0.001 0.000 0.299 439 M C 1.246 177.686 176.300 0.234 0.000 1.508 439 M CA 0.412 55.767 55.300 0.092 0.000 1.551 439 M CB -1.190 31.335 32.600 -0.124 0.000 1.384 439 M HN 0.862 nan 8.290 nan 0.000 0.491 440 K N 1.070 121.564 120.400 0.157 0.000 2.057 440 K HA 0.027 4.347 4.320 -0.001 0.000 0.207 440 K C 2.039 178.709 176.600 0.117 0.000 1.049 440 K CA 2.341 58.706 56.287 0.130 0.000 0.931 440 K CB -1.515 31.036 32.500 0.085 0.000 0.714 440 K HN 1.240 nan 8.250 nan 0.000 0.440 441 E N 0.073 120.331 120.200 0.096 0.000 2.204 441 E HA -0.102 4.247 4.350 -0.001 0.000 0.195 441 E C 1.728 178.391 176.600 0.105 0.000 0.990 441 E CA 1.426 57.875 56.400 0.083 0.000 0.821 441 E CB -1.446 28.292 29.700 0.063 0.000 0.750 441 E HN 0.934 nan 8.360 nan 0.000 0.477 442 N N -0.485 118.301 118.700 0.144 0.000 2.378 442 N HA 0.478 5.217 4.740 -0.001 0.000 0.243 442 N C 1.085 176.753 175.510 0.263 0.000 1.137 442 N CA 0.357 53.520 53.050 0.189 0.000 0.862 442 N CB -0.215 38.372 38.487 0.168 0.000 1.116 442 N HN 0.404 nan 8.380 nan 0.000 0.499 443 M N -0.727 118.986 119.600 0.189 0.000 2.504 443 M HA 0.140 4.620 4.480 -0.001 0.000 0.370 443 M C 2.443 178.782 176.300 0.066 0.000 1.110 443 M CA 0.040 55.421 55.300 0.135 0.000 0.938 443 M CB 0.846 33.507 32.600 0.100 0.000 1.460 443 M HN 0.529 nan 8.290 nan 0.000 0.535 444 R N 0.648 121.189 120.500 0.068 0.000 2.080 444 R HA -0.120 4.219 4.340 -0.001 0.000 0.236 444 R C 1.994 178.293 176.300 -0.002 0.000 1.137 444 R CA 2.710 58.831 56.100 0.034 0.000 0.943 444 R CB -2.261 28.068 30.300 0.049 0.000 0.846 444 R HN 0.577 nan 8.270 nan 0.000 0.431 445 T N -0.312 114.255 114.554 0.022 0.000 2.594 445 T HA -0.117 4.232 4.350 -0.001 0.000 0.266 445 T C 2.425 176.992 174.700 -0.221 0.000 1.070 445 T CA 2.767 64.862 62.100 -0.009 0.000 1.166 445 T CB -1.020 67.909 68.868 0.101 0.000 0.862 445 T HN 0.743 nan 8.240 nan 0.000 0.436 446 G N -0.293 108.372 108.800 -0.226 0.000 2.813 446 G HA2 0.017 3.976 3.960 -0.001 0.000 0.209 446 G HA3 0.017 3.976 3.960 -0.001 0.000 0.209 446 G C 1.610 176.322 174.900 -0.313 0.000 1.150 446 G CA 0.615 45.410 45.100 -0.507 0.000 0.785 446 G HN 0.585 nan 8.290 nan 0.000 0.535 447 N N 0.020 118.615 118.700 -0.175 0.000 2.356 447 N HA 0.062 4.801 4.740 -0.001 0.000 0.178 447 N C 1.477 176.914 175.510 -0.122 0.000 1.075 447 N CA 0.235 53.218 53.050 -0.113 0.000 0.889 447 N CB 0.128 38.585 38.487 -0.051 0.000 0.999 447 N HN 0.290 nan 8.380 nan 0.000 0.464 448 L N 1.996 123.134 121.223 -0.140 0.000 2.593 448 L HA 0.044 4.383 4.340 -0.001 0.000 0.287 448 L C -0.787 175.966 176.870 -0.195 0.000 1.243 448 L CA -0.458 54.301 54.840 -0.136 0.000 0.890 448 L CB -1.361 40.640 42.059 -0.096 0.000 1.134 448 L HN -0.016 nan 8.230 nan 0.000 0.502 449 P HA -0.239 nan 4.420 nan 0.000 0.216 449 P C 1.914 179.078 177.300 -0.227 0.000 1.157 449 P CA 2.504 65.494 63.100 -0.183 0.000 0.880 449 P CB 0.129 31.728 31.700 -0.169 0.000 0.791 450 A N -0.434 122.167 122.820 -0.365 0.000 1.917 450 A HA -0.244 4.075 4.320 -0.001 0.000 0.219 450 A C 1.977 179.444 177.584 -0.195 0.000 1.182 450 A CA 2.186 54.014 52.037 -0.349 0.000 0.633 450 A CB -1.393 17.210 19.000 -0.661 0.000 0.819 450 A HN 0.180 nan 8.150 nan 0.000 0.448 451 N N -1.238 117.325 118.700 -0.230 0.000 2.463 451 N HA 0.020 4.760 4.740 -0.001 0.000 0.181 451 N C 1.817 177.250 175.510 -0.128 0.000 1.078 451 N CA 1.515 54.438 53.050 -0.211 0.000 0.902 451 N CB -0.579 37.522 38.487 -0.644 0.000 0.970 451 N HN 0.548 nan 8.380 nan 0.000 0.451 452 M N 1.160 120.686 119.600 -0.124 0.000 2.108 452 M HA -0.090 4.390 4.480 -0.001 0.000 0.261 452 M C 2.487 178.786 176.300 -0.002 0.000 1.066 452 M CA 2.556 57.816 55.300 -0.066 0.000 1.107 452 M CB -2.026 30.530 32.600 -0.074 0.000 1.356 452 M HN 0.399 nan 8.290 nan 0.000 0.406 453 K N 0.946 121.351 120.400 0.008 0.000 2.360 453 K HA -0.093 4.226 4.320 -0.001 0.000 0.201 453 K C 1.874 178.616 176.600 0.236 0.000 1.046 453 K CA 1.833 58.159 56.287 0.066 0.000 0.945 453 K CB -0.927 31.562 32.500 -0.018 0.000 0.750 453 K HN 0.876 nan 8.250 nan 0.000 0.464 454 K N -0.286 120.232 120.400 0.196 0.000 2.404 454 K HA 0.318 4.637 4.320 -0.001 0.000 0.194 454 K C 0.675 177.328 176.600 0.088 0.000 1.023 454 K CA 0.256 56.645 56.287 0.169 0.000 1.094 454 K CB 0.719 33.344 32.500 0.209 0.000 0.841 454 K HN 0.356 nan 8.250 nan 0.000 0.523 455 A N 1.189 124.068 122.820 0.099 0.000 2.304 455 A HA 0.313 4.633 4.320 -0.001 0.000 0.301 455 A C 0.587 178.182 177.584 0.017 0.000 1.132 455 A CA -0.543 51.528 52.037 0.057 0.000 0.819 455 A CB 0.852 19.892 19.000 0.067 0.000 1.094 455 A HN 0.137 nan 8.150 nan 0.000 0.492 456 R N 0.517 121.011 120.500 -0.010 0.000 2.080 456 R HA 0.109 4.448 4.340 -0.001 0.000 0.222 456 R C -0.466 175.828 176.300 -0.011 0.000 1.107 456 R CA 0.980 57.072 56.100 -0.014 0.000 0.980 456 R CB 0.162 30.445 30.300 -0.028 0.000 0.879 456 R HN 0.486 nan 8.270 nan 0.000 0.439 457 V N 1.075 120.980 119.914 -0.016 0.000 2.376 457 V HA 0.159 4.278 4.120 -0.001 0.000 0.287 457 V C 1.378 177.464 176.094 -0.013 0.000 1.015 457 V CA -0.152 62.136 62.300 -0.021 0.000 0.834 457 V CB 1.155 32.955 31.823 -0.039 0.000 1.001 457 V HN 0.227 nan 8.190 nan 0.000 0.428 458 I N 3.535 124.099 120.570 -0.009 0.000 2.530 458 I HA -0.148 4.021 4.170 -0.001 0.000 0.257 458 I C 2.285 178.400 176.117 -0.003 0.000 1.179 458 I CA 2.731 64.028 61.300 -0.006 0.000 1.440 458 I CB -1.459 36.535 38.000 -0.010 0.000 1.087 458 I HN 0.867 nan 8.210 nan 0.000 0.440 459 Q N 0.022 119.819 119.800 -0.005 0.000 2.331 459 Q HA 0.338 4.678 4.340 -0.001 0.000 0.203 459 Q C 1.278 177.304 176.000 0.044 0.000 0.944 459 Q CA 1.054 56.867 55.803 0.018 0.000 0.892 459 Q CB -0.314 28.425 28.738 0.001 0.000 0.983 459 Q HN 0.899 nan 8.270 nan 0.000 0.482 460 I N 1.069 121.646 120.570 0.013 0.000 2.347 460 I HA 0.507 4.677 4.170 -0.001 0.000 0.283 460 I C -0.723 175.375 176.117 -0.032 0.000 1.058 460 I CA -0.272 61.038 61.300 0.016 0.000 1.202 460 I CB 0.699 38.702 38.000 0.004 0.000 1.386 460 I HN 0.266 nan 8.210 nan 0.000 0.475 461 I N 7.349 127.872 120.570 -0.079 0.000 2.841 461 I HA 0.371 4.540 4.170 -0.001 0.000 0.298 461 I C -2.428 173.574 176.117 -0.193 0.000 1.304 461 I CA -1.922 59.336 61.300 -0.069 0.000 1.019 461 I CB 3.782 41.780 38.000 -0.004 0.000 1.282 461 I HN 0.228 nan 8.210 nan 0.000 0.432 462 P HA 0.073 nan 4.420 nan 0.000 0.272 462 P C -1.367 175.773 177.300 -0.268 0.000 1.223 462 P CA 0.090 63.039 63.100 -0.252 0.000 0.784 462 P CB 0.298 31.889 31.700 -0.182 0.000 0.923 463 Y N -0.557 119.613 120.300 -0.218 0.000 2.377 463 Y HA 0.158 4.708 4.550 -0.001 0.000 0.330 463 Y C 2.291 178.017 175.900 -0.289 0.000 1.108 463 Y CA 1.106 59.063 58.100 -0.239 0.000 1.308 463 Y CB -0.874 37.375 38.460 -0.352 0.000 1.216 463 Y HN 0.510 nan 8.280 nan 0.000 0.518 464 D N 3.710 124.166 120.400 0.093 0.000 2.172 464 D HA -0.289 4.351 4.640 -0.001 0.000 0.196 464 D C 1.689 178.029 176.300 0.067 0.000 0.999 464 D CA 2.212 56.266 54.000 0.090 0.000 0.856 464 D CB -1.002 39.887 40.800 0.147 0.000 0.934 464 D HN 0.689 nan 8.370 nan 0.000 0.453 465 F N 1.238 121.251 119.950 0.105 0.000 2.259 465 F HA 0.036 4.563 4.527 -0.001 0.000 0.298 465 F C 1.443 177.271 175.800 0.048 0.000 1.088 465 F CA 1.138 59.175 58.000 0.062 0.000 1.358 465 F CB -0.143 38.872 39.000 0.024 0.000 1.040 465 F HN 0.213 nan 8.300 nan 0.000 0.505 466 N N 1.244 119.612 118.700 -0.553 0.000 2.328 466 N HA 0.076 4.816 4.740 -0.001 0.000 0.247 466 N C -0.224 175.184 175.510 -0.170 0.000 1.165 466 N CA -0.651 52.263 53.050 -0.226 0.000 0.873 466 N CB -0.391 37.938 38.487 -0.264 0.000 1.125 466 N HN 0.582 nan 8.380 nan 0.000 0.513 467 R N -0.540 119.864 120.500 -0.161 0.000 2.531 467 R HA 0.490 4.829 4.340 -0.001 0.000 0.273 467 R C -0.811 175.349 176.300 -0.233 0.000 1.070 467 R CA -0.686 55.290 56.100 -0.206 0.000 1.112 467 R CB 0.786 31.016 30.300 -0.118 0.000 1.049 467 R HN -0.163 nan 8.270 nan 0.000 0.508 468 V N 4.711 124.337 119.914 -0.480 0.000 2.432 468 V HA 0.227 4.347 4.120 -0.001 0.000 0.271 468 V C 0.449 176.427 176.094 -0.193 0.000 1.046 468 V CA -0.285 61.637 62.300 -0.631 0.000 0.945 468 V CB 0.479 31.692 31.823 -1.016 0.000 0.992 468 V HN 0.605 nan 8.190 nan 0.000 0.471 469 I N 6.080 126.710 120.570 0.100 0.000 2.437 469 I HA 0.507 4.677 4.170 -0.001 0.000 0.298 469 I C -0.364 175.958 176.117 0.342 0.000 0.984 469 I CA -0.524 60.905 61.300 0.215 0.000 1.214 469 I CB 1.647 39.797 38.000 0.250 0.000 1.365 469 I HN 0.362 nan 8.210 nan 0.000 0.469 470 L N 3.847 125.194 121.223 0.207 0.000 2.333 470 L HA 0.551 4.891 4.340 -0.001 0.000 0.269 470 L C 0.680 177.620 176.870 0.117 0.000 1.010 470 L CA -0.709 54.236 54.840 0.175 0.000 0.818 470 L CB 1.647 43.780 42.059 0.123 0.000 1.306 470 L HN 0.729 nan 8.230 nan 0.000 0.430 471 S N 1.539 117.286 115.700 0.079 0.000 2.549 471 S HA 0.535 5.005 4.470 -0.001 0.000 0.286 471 S C 0.365 174.998 174.600 0.054 0.000 1.314 471 S CA 0.175 58.406 58.200 0.053 0.000 1.062 471 S CB 0.280 63.497 63.200 0.029 0.000 0.865 471 S HN 0.546 nan 8.310 nan 0.000 0.498 479 T N -3.690 110.960 114.554 0.159 0.000 3.107 479 T HA 0.080 4.429 4.350 -0.001 0.000 0.249 479 T C 1.532 176.314 174.700 0.136 0.000 1.096 479 T CA 0.944 63.128 62.100 0.140 0.000 1.012 479 T CB -0.097 68.828 68.868 0.096 0.000 0.977 479 T HN 0.577 nan 8.240 nan 0.000 0.527 480 D N 0.520 121.008 120.400 0.146 0.000 2.348 480 D HA 0.017 4.656 4.640 -0.001 0.000 0.216 480 D C 0.338 176.741 176.300 0.172 0.000 0.970 480 D CA 0.075 54.162 54.000 0.145 0.000 0.889 480 D CB -0.518 40.362 40.800 0.134 0.000 0.912 480 D HN 0.592 nan 8.370 nan 0.000 0.524 481 Y N 0.042 120.379 120.300 0.062 0.000 2.353 481 Y HA 0.548 5.097 4.550 -0.001 0.000 0.340 481 Y C -0.392 175.511 175.900 0.006 0.000 0.972 481 Y CA -1.331 56.789 58.100 0.033 0.000 1.157 481 Y CB 0.746 39.234 38.460 0.047 0.000 1.157 481 Y HN 0.170 nan 8.280 nan 0.000 0.495 482 I N 5.783 126.017 120.570 -0.559 0.000 2.603 482 I HA 0.282 4.452 4.170 -0.001 0.000 0.300 482 I C -0.593 174.930 176.117 -0.990 0.000 1.017 482 I CA -1.069 59.880 61.300 -0.585 0.000 1.098 482 I CB 1.400 39.207 38.000 -0.321 0.000 1.279 482 I HN 0.604 nan 8.210 nan 0.000 0.437 483 N N 6.117 124.404 118.700 -0.688 0.000 2.549 483 N HA 0.400 5.139 4.740 -0.001 0.000 0.267 483 N C -1.263 174.028 175.510 -0.365 0.000 1.182 483 N CA 0.155 52.912 53.050 -0.489 0.000 1.019 483 N CB 0.043 38.411 38.487 -0.198 0.000 1.380 483 N HN 0.643 nan 8.380 nan 0.000 0.505 484 A N 1.740 124.312 122.820 -0.413 0.000 2.566 484 A HA 0.606 4.926 4.320 -0.001 0.000 0.297 484 A C -0.970 176.364 177.584 -0.417 0.000 1.059 484 A CA -0.696 51.108 52.037 -0.389 0.000 0.691 484 A CB 1.123 19.848 19.000 -0.459 0.000 1.282 484 A HN 0.356 nan 8.150 nan 0.000 0.401 485 S N 0.706 116.185 115.700 -0.367 0.000 2.482 485 S HA 0.715 5.185 4.470 -0.001 0.000 0.303 485 S C -0.900 173.489 174.600 -0.352 0.000 1.091 485 S CA -0.262 57.736 58.200 -0.337 0.000 1.057 485 S CB 0.507 63.577 63.200 -0.216 0.000 1.031 485 S HN 0.440 nan 8.310 nan 0.000 0.485 486 F N 2.622 122.439 119.950 -0.221 0.000 2.467 486 F HA 0.429 4.955 4.527 -0.001 0.000 0.362 486 F C 0.351 176.104 175.800 -0.078 0.000 1.090 486 F CA -0.417 57.477 58.000 -0.178 0.000 1.202 486 F CB 0.153 39.012 39.000 -0.235 0.000 1.113 486 F HN 0.314 nan 8.300 nan 0.000 0.541 487 I N 3.360 124.064 120.570 0.222 0.000 2.545 487 I HA 0.257 4.427 4.170 -0.001 0.000 0.292 487 I C -0.725 175.556 176.117 0.273 0.000 1.040 487 I CA -1.040 60.380 61.300 0.200 0.000 1.068 487 I CB 1.790 39.895 38.000 0.175 0.000 1.251 487 I HN 0.351 nan 8.210 nan 0.000 0.424 488 D N 3.902 124.420 120.400 0.197 0.000 2.341 488 D HA 0.376 5.016 4.640 -0.001 0.000 0.245 488 D C 0.363 176.829 176.300 0.276 0.000 1.106 488 D CA 0.098 54.200 54.000 0.169 0.000 0.905 488 D CB 1.588 42.434 40.800 0.077 0.000 1.202 488 D HN 0.682 nan 8.370 nan 0.000 0.426 489 G N -0.133 108.801 108.800 0.222 0.000 2.606 489 G HA2 0.077 4.037 3.960 -0.001 0.000 0.262 489 G HA3 0.077 4.037 3.960 -0.001 0.000 0.262 489 G C 0.219 175.177 174.900 0.097 0.000 1.394 489 G CA -0.245 45.008 45.100 0.255 0.000 1.044 489 G HN 0.504 nan 8.290 nan 0.000 0.553 490 Y N -0.296 119.961 120.300 -0.072 0.000 2.286 490 Y HA 0.133 4.683 4.550 -0.001 0.000 0.293 490 Y C 2.789 178.579 175.900 -0.183 0.000 1.124 490 Y CA 1.479 59.514 58.100 -0.108 0.000 1.178 490 Y CB 0.243 38.641 38.460 -0.104 0.000 1.010 490 Y HN 0.327 nan 8.280 nan 0.000 0.536 491 R N -0.081 120.210 120.500 -0.348 0.000 2.279 491 R HA 0.163 4.502 4.340 -0.001 0.000 0.195 491 R C -0.204 175.869 176.300 -0.378 0.000 0.905 491 R CA 0.460 56.298 56.100 -0.438 0.000 1.044 491 R CB 0.413 30.511 30.300 -0.337 0.000 1.056 491 R HN 0.370 nan 8.270 nan 0.000 0.535 492 Q N -0.518 119.070 119.800 -0.353 0.000 2.435 492 Q HA 0.501 4.841 4.340 -0.001 0.000 0.282 492 Q C -1.378 174.530 176.000 -0.152 0.000 1.020 492 Q CA -0.903 54.747 55.803 -0.254 0.000 0.820 492 Q CB 1.196 29.788 28.738 -0.243 0.000 1.436 492 Q HN -0.121 nan 8.270 nan 0.000 0.395 493 K N 0.607 120.937 120.400 -0.117 0.000 2.295 493 K HA 0.206 4.525 4.320 -0.001 0.000 0.270 493 K C 0.044 176.606 176.600 -0.062 0.000 1.011 493 K CA 0.501 56.744 56.287 -0.074 0.000 0.953 493 K CB -0.465 31.982 32.500 -0.089 0.000 0.956 493 K HN 0.784 nan 8.250 nan 0.000 0.477 494 D N -0.493 119.886 120.400 -0.035 0.000 2.689 494 D HA -0.188 4.452 4.640 -0.001 0.000 0.237 494 D C 0.170 176.485 176.300 0.025 0.000 1.148 494 D CA 1.329 55.288 54.000 -0.067 0.000 0.656 494 D CB -1.445 39.075 40.800 -0.467 0.000 1.050 494 D HN 0.745 nan 8.370 nan 0.000 0.426 495 Y N -0.273 119.967 120.300 -0.100 0.000 2.397 495 Y HA 0.185 4.735 4.550 -0.001 0.000 0.292 495 Y C 0.431 176.128 175.900 -0.339 0.000 1.115 495 Y CA 0.657 58.588 58.100 -0.280 0.000 1.208 495 Y CB 0.379 38.555 38.460 -0.473 0.000 1.046 495 Y HN 0.009 nan 8.280 nan 0.000 0.552 496 F N 0.613 120.591 119.950 0.046 0.000 2.469 496 F HA 0.415 4.941 4.527 -0.001 0.000 0.332 496 F C -0.473 175.329 175.800 0.002 0.000 1.103 496 F CA -1.127 56.853 58.000 -0.033 0.000 0.979 496 F CB 1.115 40.130 39.000 0.025 0.000 1.137 496 F HN -0.397 nan 8.300 nan 0.000 0.463 497 I N 3.160 123.788 120.570 0.096 0.000 2.291 497 I HA 0.373 4.542 4.170 -0.001 0.000 0.290 497 I C -0.048 176.028 176.117 -0.068 0.000 1.050 497 I CA -0.365 60.865 61.300 -0.116 0.000 1.245 497 I CB 0.667 38.502 38.000 -0.275 0.000 1.405 497 I HN 0.702 nan 8.210 nan 0.000 0.478 498 A N 5.127 127.898 122.820 -0.080 0.000 2.276 498 A HA 0.643 4.963 4.320 -0.001 0.000 0.300 498 A C 0.023 177.531 177.584 -0.128 0.000 1.235 498 A CA -0.199 51.795 52.037 -0.071 0.000 0.867 498 A CB 0.743 19.704 19.000 -0.065 0.000 1.137 498 A HN 0.622 nan 8.150 nan 0.000 0.527 499 T N 1.290 115.794 114.554 -0.084 0.000 2.883 499 T HA 0.527 4.877 4.350 -0.001 0.000 0.296 499 T C -0.317 174.356 174.700 -0.046 0.000 1.117 499 T CA -0.563 61.471 62.100 -0.110 0.000 1.006 499 T CB 1.159 69.941 68.868 -0.143 0.000 1.191 499 T HN 0.906 nan 8.240 nan 0.000 0.508 500 Q N 1.374 121.124 119.800 -0.083 0.000 2.417 500 Q HA 0.537 4.876 4.340 -0.001 0.000 0.241 500 Q C 0.576 176.513 176.000 -0.106 0.000 1.008 500 Q CA -0.699 55.066 55.803 -0.063 0.000 0.901 500 Q CB 0.182 28.871 28.738 -0.082 0.000 1.259 500 Q HN 0.826 nan 8.270 nan 0.000 0.489 501 G N 2.182 110.962 108.800 -0.032 0.000 2.365 501 G HA2 0.320 4.280 3.960 -0.001 0.000 0.249 501 G HA3 0.320 4.280 3.960 -0.001 0.000 0.249 501 G C -2.384 172.376 174.900 -0.234 0.000 1.288 501 G CA -0.966 44.065 45.100 -0.115 0.000 0.887 501 G HN 0.510 nan 8.290 nan 0.000 0.524 502 P HA 0.204 nan 4.420 nan 0.000 0.272 502 P C -0.061 177.124 177.300 -0.192 0.000 1.240 502 P CA -0.306 62.579 63.100 -0.359 0.000 0.791 502 P CB 0.814 32.176 31.700 -0.563 0.000 0.978 503 L N 0.552 121.601 121.223 -0.289 0.000 2.352 503 L HA 0.485 4.825 4.340 -0.001 0.000 0.269 503 L C 1.731 178.279 176.870 -0.537 0.000 1.034 503 L CA -0.793 53.849 54.840 -0.331 0.000 0.806 503 L CB 0.866 42.642 42.059 -0.473 0.000 1.244 503 L HN 0.333 nan 8.230 nan 0.000 0.447 504 A N 0.198 122.670 122.820 -0.579 0.000 2.084 504 A HA -0.195 4.124 4.320 -0.001 0.000 0.221 504 A C 1.461 178.757 177.584 -0.479 0.000 1.161 504 A CA 1.711 53.212 52.037 -0.893 0.000 0.653 504 A CB -0.857 17.889 19.000 -0.422 0.000 0.802 504 A HN 0.879 nan 8.150 nan 0.000 0.457 505 H N -1.690 117.196 119.070 -0.308 0.000 2.487 505 H HA 0.245 4.801 4.556 -0.001 0.000 0.290 505 H C 0.427 175.667 175.328 -0.146 0.000 1.081 505 H CA 0.932 56.864 56.048 -0.192 0.000 1.116 505 H CB -0.585 29.106 29.762 -0.119 0.000 1.560 505 H HN 0.390 nan 8.280 nan 0.000 0.548 506 T N -2.052 112.273 114.554 -0.383 0.000 3.475 506 T HA 0.145 4.495 4.350 -0.001 0.000 0.310 506 T C 1.292 175.897 174.700 -0.158 0.000 0.963 506 T CA 0.313 62.264 62.100 -0.249 0.000 0.985 506 T CB -0.519 68.169 68.868 -0.300 0.000 1.198 506 T HN 0.082 nan 8.240 nan 0.000 0.508 507 V N -0.929 118.872 119.914 -0.188 0.000 2.407 507 V HA 0.212 4.331 4.120 -0.001 0.000 0.245 507 V C 2.938 179.135 176.094 0.172 0.000 1.041 507 V CA 1.807 64.078 62.300 -0.048 0.000 1.040 507 V CB -1.796 29.892 31.823 -0.226 0.000 0.671 507 V HN 0.615 nan 8.190 nan 0.000 0.455 508 E N 1.182 121.437 120.200 0.092 0.000 2.049 508 E HA -0.359 3.991 4.350 -0.001 0.000 0.198 508 E C 1.879 178.577 176.600 0.162 0.000 1.007 508 E CA 1.988 58.491 56.400 0.172 0.000 0.809 508 E CB -1.207 28.551 29.700 0.097 0.000 0.749 508 E HN 0.689 nan 8.360 nan 0.000 0.450 509 D N -0.873 119.577 120.400 0.082 0.000 2.133 509 D HA -0.109 4.531 4.640 -0.001 0.000 0.195 509 D C 1.772 178.093 176.300 0.036 0.000 0.997 509 D CA 1.378 55.407 54.000 0.049 0.000 0.840 509 D CB -0.445 40.356 40.800 0.002 0.000 0.947 509 D HN 0.456 nan 8.370 nan 0.000 0.452 510 F N -0.173 119.694 119.950 -0.139 0.000 2.051 510 F HA -0.172 4.355 4.527 -0.001 0.000 0.296 510 F C 2.131 177.807 175.800 -0.207 0.000 1.122 510 F CA 1.579 59.407 58.000 -0.286 0.000 1.201 510 F CB -0.640 38.061 39.000 -0.498 0.000 0.978 510 F HN -0.019 nan 8.300 nan 0.000 0.472 511 W N 0.507 121.859 121.300 0.086 0.000 2.425 511 W HA -0.043 4.617 4.660 -0.001 0.000 0.277 511 W C 2.620 179.165 176.519 0.042 0.000 1.231 511 W CA 0.890 58.266 57.345 0.052 0.000 1.248 511 W CB -0.358 29.208 29.460 0.177 0.000 1.117 511 W HN -0.125 nan 8.180 nan 0.000 0.568 512 R N -0.102 120.544 120.500 0.244 0.000 2.091 512 R HA -0.203 4.137 4.340 -0.001 0.000 0.238 512 R C 2.276 178.672 176.300 0.161 0.000 1.136 512 R CA 1.834 58.045 56.100 0.186 0.000 0.959 512 R CB -0.652 29.722 30.300 0.123 0.000 0.856 512 R HN 0.248 nan 8.270 nan 0.000 0.437 513 M N 0.538 120.161 119.600 0.037 0.000 2.086 513 M HA -0.174 4.306 4.480 -0.001 0.000 0.261 513 M C 1.782 178.104 176.300 0.036 0.000 1.067 513 M CA 1.651 56.971 55.300 0.034 0.000 1.116 513 M CB 0.019 32.507 32.600 -0.187 0.000 1.348 513 M HN 0.073 nan 8.290 nan 0.000 0.407 514 I N -0.262 120.222 120.570 -0.144 0.000 2.194 514 I HA -0.354 3.816 4.170 -0.001 0.000 0.246 514 I C 2.401 178.571 176.117 0.088 0.000 1.093 514 I CA 1.652 62.895 61.300 -0.096 0.000 1.355 514 I CB -1.767 36.166 38.000 -0.111 0.000 1.046 514 I HN 0.689 nan 8.210 nan 0.000 0.413 515 W N 2.075 123.393 121.300 0.029 0.000 2.407 515 W HA -0.214 4.446 4.660 -0.001 0.000 0.305 515 W C 2.584 179.071 176.519 -0.053 0.000 1.196 515 W CA 2.344 59.699 57.345 0.017 0.000 1.311 515 W CB -0.039 29.450 29.460 0.047 0.000 1.135 515 W HN 0.265 nan 8.180 nan 0.000 0.514 516 E N -0.330 119.905 120.200 0.059 0.000 2.204 516 E HA -0.220 4.130 4.350 -0.001 0.000 0.194 516 E C 1.192 177.465 176.600 -0.545 0.000 0.989 516 E CA 1.367 57.639 56.400 -0.214 0.000 0.824 516 E CB -1.353 28.243 29.700 -0.174 0.000 0.756 516 E HN 0.507 nan 8.360 nan 0.000 0.477 517 W N 0.052 121.305 121.300 -0.079 0.000 3.123 517 W HA 0.364 5.023 4.660 -0.001 0.000 0.383 517 W C 0.142 176.565 176.519 -0.160 0.000 1.102 517 W CA -0.259 57.054 57.345 -0.054 0.000 1.865 517 W CB 0.526 30.033 29.460 0.078 0.000 1.111 517 W HN -0.004 nan 8.180 nan 0.000 0.621 518 K N 0.452 120.726 120.400 -0.211 0.000 3.148 518 K HA -0.226 4.093 4.320 -0.001 0.000 0.267 518 K C 0.264 176.529 176.600 -0.558 0.000 0.996 518 K CA 0.661 56.654 56.287 -0.489 0.000 0.737 518 K CB -1.742 30.500 32.500 -0.430 0.000 1.308 518 K HN 0.073 nan 8.250 nan 0.000 0.470 519 S N -0.279 115.237 115.700 -0.306 0.000 2.549 519 S HA 0.139 4.609 4.470 -0.001 0.000 0.283 519 S C 0.576 174.988 174.600 -0.315 0.000 1.320 519 S CA -0.185 57.880 58.200 -0.226 0.000 1.058 519 S CB 0.258 63.394 63.200 -0.107 0.000 0.882 519 S HN 0.405 nan 8.310 nan 0.000 0.498 520 H N 1.708 120.800 119.070 0.036 0.000 2.785 520 H HA 0.303 4.859 4.556 -0.001 0.000 0.268 520 H C -0.664 174.754 175.328 0.150 0.000 1.153 520 H CA -0.275 55.818 56.048 0.075 0.000 1.111 520 H CB 0.983 30.766 29.762 0.034 0.000 1.633 520 H HN 0.435 nan 8.280 nan 0.000 0.576 521 T N 1.447 116.136 114.554 0.226 0.000 3.483 521 T HA 0.365 4.714 4.350 -0.001 0.000 0.329 521 T C -0.731 174.079 174.700 0.184 0.000 1.014 521 T CA -0.518 61.731 62.100 0.247 0.000 1.056 521 T CB 1.474 70.459 68.868 0.195 0.000 1.090 521 T HN 0.076 nan 8.240 nan 0.000 0.460 522 I N 2.710 123.428 120.570 0.246 0.000 2.406 522 I HA 0.538 4.708 4.170 -0.001 0.000 0.290 522 I C -0.526 175.697 176.117 0.177 0.000 0.999 522 I CA -1.158 60.255 61.300 0.189 0.000 1.124 522 I CB 2.064 40.202 38.000 0.231 0.000 1.289 522 I HN 0.289 nan 8.210 nan 0.000 0.441 523 V N 7.057 126.981 119.914 0.016 0.000 2.313 523 V HA 0.336 4.455 4.120 -0.001 0.000 0.278 523 V C 0.069 176.008 176.094 -0.259 0.000 1.017 523 V CA -0.411 61.795 62.300 -0.156 0.000 0.823 523 V CB 1.387 32.891 31.823 -0.532 0.000 1.010 523 V HN 0.691 nan 8.190 nan 0.000 0.443 524 M N 5.698 125.175 119.600 -0.205 0.000 2.080 524 M HA 0.444 4.924 4.480 -0.001 0.000 0.350 524 M C -0.175 176.032 176.300 -0.155 0.000 1.173 524 M CA -0.313 54.748 55.300 -0.399 0.000 1.052 524 M CB 0.933 33.295 32.600 -0.396 0.000 1.577 524 M HN 0.578 nan 8.290 nan 0.000 0.455 525 L N 4.225 125.302 121.223 -0.245 0.000 2.818 525 L HA 0.224 4.564 4.340 -0.001 0.000 0.243 525 L C 0.349 177.184 176.870 -0.058 0.000 1.185 525 L CA -0.218 54.590 54.840 -0.053 0.000 0.988 525 L CB -0.221 41.747 42.059 -0.151 0.000 1.292 525 L HN 0.677 nan 8.230 nan 0.000 0.519 526 T N -4.847 109.705 114.554 -0.005 0.000 2.888 526 T HA 0.786 5.136 4.350 -0.001 0.000 0.288 526 T C -0.173 174.663 174.700 0.226 0.000 1.063 526 T CA -0.417 61.717 62.100 0.055 0.000 1.010 526 T CB 2.066 70.948 68.868 0.023 0.000 1.214 526 T HN 0.024 nan 8.240 nan 0.000 0.533 527 E N 0.178 120.485 120.200 0.179 0.000 2.254 527 E HA 0.655 5.005 4.350 -0.001 0.000 0.261 527 E C 1.136 177.848 176.600 0.188 0.000 1.051 527 E CA -0.493 56.041 56.400 0.224 0.000 0.902 527 E CB 0.387 30.139 29.700 0.086 0.000 1.168 527 E HN 0.614 nan 8.360 nan 0.000 0.423 528 V N 0.290 120.320 119.914 0.192 0.000 2.216 528 V HA 0.050 4.170 4.120 -0.001 0.000 0.243 528 V C 1.936 178.071 176.094 0.070 0.000 1.044 528 V CA 2.563 64.940 62.300 0.128 0.000 0.995 528 V CB -0.818 31.050 31.823 0.074 0.000 0.633 528 V HN 1.007 nan 8.190 nan 0.000 0.446 529 Q N -0.383 119.443 119.800 0.042 0.000 2.227 529 Q HA 0.671 5.010 4.340 -0.001 0.000 0.245 529 Q C -0.171 175.844 176.000 0.024 0.000 0.926 529 Q CA 0.147 55.965 55.803 0.025 0.000 0.895 529 Q CB 0.695 29.438 28.738 0.010 0.000 1.230 529 Q HN 0.855 nan 8.270 nan 0.000 0.450 530 E N 0.130 120.341 120.200 0.017 0.000 2.335 530 E HA 0.601 4.951 4.350 -0.001 0.000 0.280 530 E C -0.141 176.464 176.600 0.008 0.000 0.918 530 E CA -0.302 56.106 56.400 0.013 0.000 0.765 530 E CB 0.857 30.566 29.700 0.015 0.000 1.218 530 E HN 0.928 nan 8.360 nan 0.000 0.425 531 R N 0.379 120.883 120.500 0.006 0.000 3.502 531 R HA -0.193 4.146 4.340 -0.001 0.000 0.266 531 R C 1.194 177.495 176.300 0.003 0.000 1.077 531 R CA 2.130 58.232 56.100 0.004 0.000 0.718 531 R CB -2.583 27.721 30.300 0.005 0.000 1.120 531 R HN 2.152 nan 8.270 nan 0.000 0.457 532 E N -4.932 115.269 120.200 0.002 0.000 3.916 532 E HA -0.308 4.042 4.350 -0.001 0.000 0.331 532 E C 0.175 176.777 176.600 0.003 0.000 0.729 532 E CA 2.201 58.601 56.400 0.001 0.000 1.222 532 E CB -2.036 27.664 29.700 0.000 0.000 1.633 532 E HN 1.194 nan 8.360 nan 0.000 0.437 533 Q N -0.803 119.001 119.800 0.005 0.000 2.248 533 Q HA 0.643 4.982 4.340 -0.001 0.000 0.263 533 Q C 0.303 176.311 176.000 0.013 0.000 1.007 533 Q CA 0.677 56.484 55.803 0.008 0.000 0.877 533 Q CB 0.815 29.556 28.738 0.006 0.000 1.315 533 Q HN 1.679 nan 8.270 nan 0.000 0.454 534 D N -0.050 120.360 120.400 0.017 0.000 2.380 534 D HA 0.493 5.133 4.640 -0.001 0.000 0.230 534 D C 0.622 176.942 176.300 0.032 0.000 1.154 534 D CA 0.153 54.169 54.000 0.026 0.000 0.859 534 D CB 0.323 41.142 40.800 0.031 0.000 1.045 534 D HN 0.892 nan 8.370 nan 0.000 0.495 535 K N -0.326 120.096 120.400 0.038 0.000 2.358 535 K HA 0.576 4.895 4.320 -0.001 0.000 0.200 535 K C 0.471 177.107 176.600 0.060 0.000 1.030 535 K CA 0.473 56.782 56.287 0.037 0.000 1.097 535 K CB -0.204 32.311 32.500 0.025 0.000 0.862 535 K HN 1.304 nan 8.250 nan 0.000 0.534 536 C N -0.789 118.562 119.300 0.085 0.000 3.244 536 C HA 0.440 4.899 4.460 -0.001 0.000 0.442 536 C C -1.532 173.543 174.990 0.142 0.000 0.949 536 C CA -1.603 57.491 59.018 0.126 0.000 1.132 536 C CB -0.572 27.283 27.740 0.192 0.000 1.561 536 C HN 0.606 nan 8.230 nan 0.000 0.639 537 Y N 4.051 124.358 120.300 0.012 0.000 2.411 537 Y HA 0.394 4.943 4.550 -0.001 0.000 0.333 537 Y C 0.669 176.555 175.900 -0.024 0.000 1.186 537 Y CA 0.732 58.818 58.100 -0.025 0.000 1.381 537 Y CB 0.805 39.228 38.460 -0.063 0.000 1.273 537 Y HN 0.814 nan 8.280 nan 0.000 0.546 538 Q N 6.084 125.356 119.800 -0.880 0.000 2.431 538 Q HA 0.041 4.381 4.340 -0.001 0.000 0.234 538 Q C -0.403 175.110 176.000 -0.811 0.000 1.203 538 Q CA -0.180 55.000 55.803 -1.038 0.000 0.902 538 Q CB -0.116 27.914 28.738 -1.179 0.000 1.455 538 Q HN 0.890 nan 8.270 nan 0.000 0.515 539 Y N 2.171 122.419 120.300 -0.086 0.000 2.457 539 Y HA 0.118 4.668 4.550 -0.001 0.000 0.292 539 Y C -0.055 176.188 175.900 0.572 0.000 1.125 539 Y CA -0.855 57.446 58.100 0.335 0.000 1.254 539 Y CB -0.430 38.123 38.460 0.154 0.000 1.012 539 Y HN 0.515 nan 8.280 nan 0.000 0.555 540 W N 1.953 123.233 121.300 -0.034 0.000 2.578 540 W HA 0.780 5.440 4.660 -0.001 0.000 0.353 540 W C -3.084 173.430 176.519 -0.009 0.000 1.088 540 W CA -3.141 54.200 57.345 -0.007 0.000 1.235 540 W CB 0.858 30.211 29.460 -0.178 0.000 1.362 540 W HN -0.331 nan 8.180 nan 0.000 0.592 541 P HA 0.252 nan 4.420 nan 0.000 0.292 541 P C 0.108 177.554 177.300 0.244 0.000 1.283 541 P CA -0.248 62.863 63.100 0.019 0.000 0.835 541 P CB 2.425 34.152 31.700 0.045 0.000 1.017 542 T N 0.477 115.082 114.554 0.086 0.000 2.901 542 T HA -0.024 4.326 4.350 -0.001 0.000 0.252 542 T C 1.963 176.742 174.700 0.133 0.000 1.035 542 T CA 1.903 64.112 62.100 0.181 0.000 1.142 542 T CB -0.452 68.470 68.868 0.090 0.000 0.869 542 T HN 0.534 nan 8.240 nan 0.000 0.442 543 E N 0.954 121.195 120.200 0.068 0.000 2.035 543 E HA 0.427 4.777 4.350 -0.001 0.000 0.191 543 E C 1.848 178.480 176.600 0.053 0.000 0.966 543 E CA 0.939 57.368 56.400 0.048 0.000 0.823 543 E CB -1.091 28.619 29.700 0.017 0.000 0.791 543 E HN 0.505 nan 8.360 nan 0.000 0.459 544 G N -1.146 107.678 108.800 0.041 0.000 2.887 544 G HA2 0.541 4.501 3.960 -0.001 0.000 0.210 544 G HA3 0.541 4.501 3.960 -0.001 0.000 0.210 544 G C 0.509 175.433 174.900 0.040 0.000 1.964 544 G CA 0.974 46.093 45.100 0.032 0.000 0.738 544 G HN 1.255 nan 8.290 nan 0.000 0.790 545 S N -0.914 114.784 115.700 -0.003 0.000 2.536 545 S HA 0.675 5.144 4.470 -0.001 0.000 0.271 545 S C -0.822 173.716 174.600 -0.103 0.000 1.134 545 S CA -0.245 57.932 58.200 -0.038 0.000 0.897 545 S CB 1.618 64.793 63.200 -0.041 0.000 1.094 545 S HN 1.611 nan 8.310 nan 0.000 0.473 546 V N -0.756 119.043 119.914 -0.190 0.000 2.604 546 V HA 1.017 5.136 4.120 -0.001 0.000 0.305 546 V C 0.107 175.955 176.094 -0.410 0.000 1.043 546 V CA -0.081 62.042 62.300 -0.295 0.000 0.888 546 V CB 0.681 32.267 31.823 -0.395 0.000 0.995 546 V HN 1.343 nan 8.190 nan 0.000 0.429 547 T N 2.252 116.616 114.554 -0.317 0.000 2.832 547 T HA 0.502 4.851 4.350 -0.001 0.000 0.313 547 T C -0.078 174.509 174.700 -0.188 0.000 1.035 547 T CA -0.470 61.474 62.100 -0.261 0.000 0.950 547 T CB -0.198 68.584 68.868 -0.145 0.000 0.984 547 T HN 0.802 nan 8.240 nan 0.000 0.486 548 H N 3.043 122.061 119.070 -0.087 0.000 2.821 548 H HA 0.519 5.074 4.556 -0.001 0.000 0.262 548 H C 1.366 176.693 175.328 -0.001 0.000 1.402 548 H CA 0.283 56.335 56.048 0.006 0.000 1.293 548 H CB 0.188 30.028 29.762 0.130 0.000 1.533 548 H HN 1.180 nan 8.280 nan 0.000 0.528 549 G N 2.150 111.007 108.800 0.095 0.000 2.596 549 G HA2 -0.398 3.562 3.960 -0.001 0.000 0.258 549 G HA3 -0.398 3.562 3.960 -0.001 0.000 0.258 549 G C 1.034 175.918 174.900 -0.026 0.000 1.207 549 G CA 0.606 45.730 45.100 0.040 0.000 0.954 549 G HN 0.555 nan 8.290 nan 0.000 0.551 550 E N -0.057 120.110 120.200 -0.056 0.000 2.385 550 E HA 0.504 4.853 4.350 -0.001 0.000 0.194 550 E C 1.383 177.861 176.600 -0.203 0.000 1.013 550 E CA 1.222 57.548 56.400 -0.122 0.000 0.866 550 E CB -0.007 29.613 29.700 -0.134 0.000 0.832 550 E HN 0.714 nan 8.360 nan 0.000 0.500 551 I N 1.349 121.802 120.570 -0.195 0.000 2.577 551 I HA 0.445 4.615 4.170 -0.001 0.000 0.300 551 I C -0.012 175.927 176.117 -0.297 0.000 0.990 551 I CA -0.351 60.776 61.300 -0.288 0.000 1.283 551 I CB 1.375 39.246 38.000 -0.217 0.000 1.411 551 I HN -0.024 nan 8.210 nan 0.000 0.515 552 T N 5.593 119.943 114.554 -0.340 0.000 2.916 552 T HA 0.613 4.963 4.350 -0.001 0.000 0.298 552 T C -0.383 174.099 174.700 -0.363 0.000 1.031 552 T CA -0.411 61.496 62.100 -0.322 0.000 0.993 552 T CB 2.093 70.835 68.868 -0.209 0.000 1.045 552 T HN 0.209 nan 8.240 nan 0.000 0.454 553 I N 1.804 122.136 120.570 -0.396 0.000 2.410 553 I HA 0.654 4.824 4.170 -0.001 0.000 0.286 553 I C 0.186 176.247 176.117 -0.093 0.000 1.009 553 I CA -1.040 60.057 61.300 -0.338 0.000 1.111 553 I CB 0.655 38.288 38.000 -0.613 0.000 1.262 553 I HN 0.863 nan 8.210 nan 0.000 0.443 554 E N 5.861 126.092 120.200 0.051 0.000 2.199 554 E HA 0.643 4.993 4.350 -0.001 0.000 0.269 554 E C -0.922 175.832 176.600 0.258 0.000 0.899 554 E CA -0.742 55.726 56.400 0.113 0.000 0.772 554 E CB 2.823 32.554 29.700 0.052 0.000 1.155 554 E HN 0.708 nan 8.360 nan 0.000 0.408 555 I N 2.095 122.817 120.570 0.254 0.000 2.312 555 I HA 0.528 4.697 4.170 -0.001 0.000 0.291 555 I C 1.335 177.475 176.117 0.038 0.000 1.031 555 I CA 0.165 61.582 61.300 0.195 0.000 1.293 555 I CB 1.059 39.192 38.000 0.221 0.000 1.403 555 I HN 0.728 nan 8.210 nan 0.000 0.484 556 K N 4.560 124.940 120.400 -0.033 0.000 2.078 556 K HA 0.233 4.553 4.320 -0.001 0.000 0.203 556 K C 0.707 177.268 176.600 -0.065 0.000 1.043 556 K CA 1.359 57.627 56.287 -0.032 0.000 0.960 556 K CB -1.087 31.402 32.500 -0.018 0.000 0.761 556 K HN 0.785 nan 8.250 nan 0.000 0.448 557 N N -0.616 118.006 118.700 -0.130 0.000 2.265 557 N HA 0.536 5.275 4.740 -0.001 0.000 0.300 557 N C -1.039 174.371 175.510 -0.166 0.000 1.148 557 N CA 0.179 53.158 53.050 -0.119 0.000 0.772 557 N CB 1.691 40.116 38.487 -0.103 0.000 1.434 557 N HN 0.856 nan 8.380 nan 0.000 0.481 558 D N -1.006 119.332 120.400 -0.103 0.000 2.613 558 D HA 0.765 5.405 4.640 -0.001 0.000 0.230 558 D C -0.324 175.950 176.300 -0.043 0.000 1.365 558 D CA 0.387 54.337 54.000 -0.084 0.000 0.976 558 D CB 0.711 41.495 40.800 -0.026 0.000 1.415 558 D HN 1.277 nan 8.370 nan 0.000 0.589 559 T N -0.293 114.232 114.554 -0.049 0.000 3.077 559 T HA 0.740 5.089 4.350 -0.001 0.000 0.359 559 T C 0.662 175.360 174.700 -0.005 0.000 1.108 559 T CA 0.127 62.213 62.100 -0.024 0.000 1.170 559 T CB -0.088 68.759 68.868 -0.036 0.000 1.045 559 T HN 1.796 nan 8.240 nan 0.000 0.505 560 L N 2.217 123.455 121.223 0.026 0.000 2.574 560 L HA 0.754 5.093 4.340 -0.001 0.000 0.281 560 L C 1.163 178.062 176.870 0.047 0.000 1.212 560 L CA 0.089 54.962 54.840 0.054 0.000 1.082 560 L CB -1.836 40.269 42.059 0.076 0.000 1.362 560 L HN 1.172 nan 8.230 nan 0.000 0.451 561 S N 1.622 117.347 115.700 0.042 0.000 2.602 561 S HA 0.626 5.096 4.470 -0.001 0.000 0.257 561 S C 0.887 175.529 174.600 0.070 0.000 1.250 561 S CA 0.337 58.567 58.200 0.051 0.000 0.986 561 S CB 0.013 63.244 63.200 0.053 0.000 1.040 561 S HN 1.895 nan 8.310 nan 0.000 0.562 562 E N -0.852 119.394 120.200 0.075 0.000 2.217 562 E HA 0.553 4.903 4.350 -0.001 0.000 0.279 562 E C 1.024 177.693 176.600 0.115 0.000 1.068 562 E CA 0.409 56.859 56.400 0.083 0.000 0.882 562 E CB -0.868 28.875 29.700 0.073 0.000 1.039 562 E HN 2.364 nan 8.360 nan 0.000 0.418 563 A N 1.832 124.720 122.820 0.113 0.000 1.282 563 A HA -0.227 4.093 4.320 -0.001 0.000 0.222 563 A C 1.105 178.740 177.584 0.084 0.000 0.460 563 A CA 1.256 53.365 52.037 0.120 0.000 1.096 563 A CB -2.624 16.503 19.000 0.211 0.000 1.470 563 A HN 1.643 nan 8.150 nan 0.000 0.723 564 I N 0.336 120.998 120.570 0.153 0.000 2.720 564 I HA 0.573 4.742 4.170 -0.001 0.000 0.287 564 I C 0.464 176.566 176.117 -0.025 0.000 1.090 564 I CA 0.657 61.997 61.300 0.068 0.000 1.384 564 I CB 0.924 39.053 38.000 0.215 0.000 1.420 564 I HN 1.137 nan 8.210 nan 0.000 0.575 565 S N 5.838 121.468 115.700 -0.116 0.000 2.561 565 S HA 0.706 5.175 4.470 -0.001 0.000 0.303 565 S C -0.873 173.691 174.600 -0.061 0.000 1.110 565 S CA -0.794 57.393 58.200 -0.021 0.000 1.034 565 S CB 1.454 64.725 63.200 0.118 0.000 1.010 565 S HN 0.542 nan 8.310 nan 0.000 0.482 566 I N 3.891 124.390 120.570 -0.119 0.000 2.339 566 I HA 0.501 4.670 4.170 -0.001 0.000 0.290 566 I C 0.286 176.253 176.117 -0.250 0.000 0.994 566 I CA -0.671 60.464 61.300 -0.274 0.000 1.191 566 I CB 1.393 39.189 38.000 -0.339 0.000 1.343 566 I HN 0.570 nan 8.210 nan 0.000 0.458 567 R N 4.904 125.215 120.500 -0.314 0.000 2.740 567 R HA 0.567 4.907 4.340 -0.001 0.000 0.282 567 R C -1.455 174.492 176.300 -0.589 0.000 0.969 567 R CA -1.015 54.826 56.100 -0.432 0.000 0.918 567 R CB 2.271 32.294 30.300 -0.460 0.000 1.175 567 R HN 0.455 nan 8.270 nan 0.000 0.464 568 D N 2.045 122.033 120.400 -0.686 0.000 2.649 568 D HA 0.393 5.033 4.640 -0.001 0.000 0.249 568 D C -0.942 175.020 176.300 -0.563 0.000 1.112 568 D CA -0.157 53.556 54.000 -0.479 0.000 0.850 568 D CB 1.853 42.522 40.800 -0.219 0.000 1.399 568 D HN 0.244 nan 8.370 nan 0.000 0.503 569 F N 0.790 120.802 119.950 0.104 0.000 2.540 569 F HA 0.396 4.922 4.527 -0.001 0.000 0.317 569 F C 0.152 176.012 175.800 0.100 0.000 1.104 569 F CA -1.041 57.029 58.000 0.116 0.000 0.913 569 F CB 1.832 40.944 39.000 0.187 0.000 1.170 569 F HN -0.029 nan 8.300 nan 0.000 0.450 570 L N 4.185 125.557 121.223 0.248 0.000 2.278 570 L HA 0.467 4.807 4.340 -0.001 0.000 0.287 570 L C -0.765 176.189 176.870 0.139 0.000 1.072 570 L CA -0.717 54.224 54.840 0.169 0.000 0.819 570 L CB 0.909 43.029 42.059 0.102 0.000 1.176 570 L HN 0.344 nan 8.230 nan 0.000 0.435 571 V N 2.427 122.439 119.914 0.163 0.000 2.328 571 V HA 0.377 4.497 4.120 -0.001 0.000 0.278 571 V C 0.296 176.447 176.094 0.095 0.000 1.021 571 V CA -0.602 61.742 62.300 0.074 0.000 0.838 571 V CB 1.227 33.159 31.823 0.181 0.000 0.999 571 V HN 0.787 nan 8.190 nan 0.000 0.447 572 T N 3.704 118.214 114.554 -0.073 0.000 2.925 572 T HA 0.690 5.040 4.350 -0.001 0.000 0.285 572 T C -0.572 173.898 174.700 -0.383 0.000 1.021 572 T CA -0.672 61.349 62.100 -0.131 0.000 1.042 572 T CB 2.146 70.963 68.868 -0.085 0.000 1.037 572 T HN 0.305 nan 8.240 nan 0.000 0.481 573 L N 2.534 123.460 121.223 -0.496 0.000 2.283 573 L HA 0.519 4.858 4.340 -0.001 0.000 0.281 573 L C 0.421 177.107 176.870 -0.307 0.000 1.033 573 L CA -0.017 54.450 54.840 -0.621 0.000 0.848 573 L CB -0.647 40.824 42.059 -0.981 0.000 1.226 573 L HN 0.974 nan 8.230 nan 0.000 0.429 582 E N 0.648 120.903 120.200 0.092 0.000 2.320 582 E HA 0.313 4.662 4.350 -0.001 0.000 0.189 582 E C 1.453 178.210 176.600 0.262 0.000 1.100 582 E CA 0.611 57.085 56.400 0.123 0.000 1.009 582 E CB -0.289 29.462 29.700 0.085 0.000 1.145 582 E HN 0.600 nan 8.360 nan 0.000 0.454 583 Q N -0.713 119.227 119.800 0.234 0.000 2.408 583 Q HA 0.232 4.571 4.340 -0.001 0.000 0.205 583 Q C 0.211 176.397 176.000 0.310 0.000 0.919 583 Q CA 0.345 56.300 55.803 0.254 0.000 0.932 583 Q CB 0.615 29.412 28.738 0.098 0.000 1.058 583 Q HN 0.422 nan 8.270 nan 0.000 0.517 584 V N 0.574 120.676 119.914 0.314 0.000 2.789 584 V HA 0.571 4.690 4.120 -0.001 0.000 0.311 584 V C -1.359 174.901 176.094 0.277 0.000 1.073 584 V CA -0.693 61.771 62.300 0.274 0.000 0.921 584 V CB 1.988 33.894 31.823 0.139 0.000 1.009 584 V HN 0.151 nan 8.190 nan 0.000 0.426 585 R N 3.396 124.081 120.500 0.308 0.000 2.836 585 R HA 0.769 5.109 4.340 -0.001 0.000 0.269 585 R C -1.835 174.592 176.300 0.211 0.000 1.010 585 R CA -0.804 55.432 56.100 0.227 0.000 0.930 585 R CB 2.620 33.079 30.300 0.265 0.000 1.218 585 R HN 0.506 nan 8.270 nan 0.000 0.473 586 V N 2.184 122.190 119.914 0.153 0.000 2.409 586 V HA 0.412 4.531 4.120 -0.001 0.000 0.291 586 V C -0.471 175.755 176.094 0.219 0.000 1.020 586 V CA -0.687 61.709 62.300 0.161 0.000 0.848 586 V CB 1.706 33.576 31.823 0.078 0.000 0.990 586 V HN 0.398 nan 8.190 nan 0.000 0.430 587 V N 5.166 125.274 119.914 0.324 0.000 2.604 587 V HA 0.626 4.745 4.120 -0.001 0.000 0.305 587 V C -0.205 176.122 176.094 0.389 0.000 1.043 587 V CA -0.878 61.657 62.300 0.393 0.000 0.888 587 V CB 2.307 34.430 31.823 0.500 0.000 0.995 587 V HN 0.895 nan 8.190 nan 0.000 0.429 588 R N 3.324 124.008 120.500 0.306 0.000 2.387 588 R HA 0.500 4.839 4.340 -0.001 0.000 0.314 588 R C -0.631 175.795 176.300 0.210 0.000 0.958 588 R CA -0.289 55.907 56.100 0.159 0.000 0.846 588 R CB 1.343 31.711 30.300 0.113 0.000 1.147 588 R HN 0.787 nan 8.270 nan 0.000 0.447 589 Q N 4.579 124.441 119.800 0.103 0.000 2.307 589 Q HA 0.314 4.654 4.340 -0.001 0.000 0.262 589 Q C -1.414 174.542 176.000 -0.074 0.000 0.961 589 Q CA -0.628 55.260 55.803 0.141 0.000 0.882 589 Q CB 0.833 29.697 28.738 0.209 0.000 1.264 589 Q HN 0.569 nan 8.270 nan 0.000 0.446 590 F N 3.111 123.069 119.950 0.013 0.000 2.334 590 F HA 0.232 4.758 4.527 -0.001 0.000 0.367 590 F C 0.011 175.811 175.800 -0.001 0.000 1.115 590 F CA -0.496 57.504 58.000 0.001 0.000 1.116 590 F CB 0.857 39.855 39.000 -0.003 0.000 1.230 590 F HN 0.573 nan 8.300 nan 0.000 0.484 591 H N 4.517 123.569 119.070 -0.029 0.000 2.724 591 H HA 0.192 4.747 4.556 -0.001 0.000 0.278 591 H C -0.684 174.503 175.328 -0.235 0.000 1.159 591 H CA -0.898 55.074 56.048 -0.126 0.000 1.254 591 H CB 0.374 30.035 29.762 -0.169 0.000 1.412 591 H HN 0.456 nan 8.280 nan 0.000 0.488 592 F N 4.922 124.835 119.950 -0.061 0.000 2.506 592 F HA 0.036 4.563 4.527 -0.001 0.000 0.371 592 F C 0.315 176.030 175.800 -0.140 0.000 1.078 592 F CA -0.180 57.752 58.000 -0.113 0.000 1.195 592 F CB 0.545 39.578 39.000 0.055 0.000 1.099 592 F HN 0.661 nan 8.300 nan 0.000 0.548 593 H N 3.717 122.599 119.070 -0.313 0.000 2.586 593 H HA 0.196 4.752 4.556 -0.001 0.000 0.273 593 H C 1.935 176.921 175.328 -0.571 0.000 0.997 593 H CA 0.638 56.460 56.048 -0.377 0.000 1.177 593 H CB 0.004 29.612 29.762 -0.256 0.000 1.471 593 H HN 0.771 nan 8.280 nan 0.000 0.538 594 G N -0.566 107.492 108.800 -1.235 0.000 2.920 594 G HA2 -0.128 3.832 3.960 -0.001 0.000 0.208 594 G HA3 -0.128 3.832 3.960 -0.001 0.000 0.208 594 G C -0.014 174.511 174.900 -0.626 0.000 1.159 594 G CA -0.288 44.220 45.100 -0.987 0.000 0.784 594 G HN 0.196 nan 8.290 nan 0.000 0.535 595 W N 1.740 122.686 121.300 -0.590 0.000 2.331 595 W HA 0.430 5.090 4.660 -0.001 0.000 0.306 595 W C -2.378 174.041 176.519 -0.167 0.000 1.162 595 W CA -2.607 54.597 57.345 -0.234 0.000 1.232 595 W CB 1.452 30.854 29.460 -0.096 0.000 1.235 595 W HN -0.008 nan 8.180 nan 0.000 0.479 596 P HA 0.173 nan 4.420 nan 0.000 0.274 596 P C 0.830 178.218 177.300 0.147 0.000 1.231 596 P CA 0.366 63.501 63.100 0.058 0.000 0.790 596 P CB 0.626 32.310 31.700 -0.027 0.000 0.951 597 E N 1.188 121.430 120.200 0.070 0.000 2.118 597 E HA -0.021 4.328 4.350 -0.001 0.000 0.195 597 E C 1.101 177.737 176.600 0.060 0.000 0.992 597 E CA 1.857 58.291 56.400 0.056 0.000 0.804 597 E CB -0.998 28.717 29.700 0.024 0.000 0.741 597 E HN 0.614 nan 8.360 nan 0.000 0.458 598 I N -0.947 119.654 120.570 0.053 0.000 2.389 598 I HA 0.723 4.893 4.170 -0.001 0.000 0.288 598 I C 0.969 177.120 176.117 0.056 0.000 0.999 598 I CA -0.263 61.067 61.300 0.049 0.000 1.129 598 I CB 0.498 38.513 38.000 0.026 0.000 1.288 598 I HN 1.207 nan 8.210 nan 0.000 0.444 599 G N 3.658 112.509 108.800 0.085 0.000 2.660 599 G HA2 0.219 4.179 3.960 -0.001 0.000 0.247 599 G HA3 0.219 4.179 3.960 -0.001 0.000 0.247 599 G C -0.332 174.605 174.900 0.062 0.000 1.328 599 G CA -0.030 45.106 45.100 0.061 0.000 0.884 599 G HN 2.403 nan 8.290 nan 0.000 0.531 600 I N -1.441 119.062 120.570 -0.111 0.000 2.934 600 I HA 0.714 4.884 4.170 -0.001 0.000 0.315 600 I C -2.134 173.600 176.117 -0.639 0.000 0.997 600 I CA -2.514 58.478 61.300 -0.514 0.000 1.184 600 I CB 1.100 38.770 38.000 -0.551 0.000 1.400 600 I HN 0.391 nan 8.210 nan 0.000 0.549 601 P HA 0.149 nan 4.420 nan 0.000 0.271 601 P C 0.013 177.185 177.300 -0.214 0.000 1.218 601 P CA -0.189 62.577 63.100 -0.556 0.000 0.780 601 P CB 1.144 32.517 31.700 -0.545 0.000 0.901 602 A N 1.969 124.733 122.820 -0.093 0.000 1.872 602 A HA -0.041 4.279 4.320 -0.001 0.000 0.214 602 A C 1.938 179.556 177.584 0.057 0.000 1.187 602 A CA 2.058 54.090 52.037 -0.010 0.000 0.614 602 A CB -1.533 17.457 19.000 -0.016 0.000 0.826 602 A HN 0.571 nan 8.150 nan 0.000 0.442 603 E N -2.201 118.039 120.200 0.067 0.000 2.179 603 E HA 0.350 4.700 4.350 -0.001 0.000 0.236 603 E C 1.812 178.496 176.600 0.141 0.000 0.843 603 E CA 1.415 57.867 56.400 0.087 0.000 1.245 603 E CB -1.176 28.568 29.700 0.074 0.000 1.113 603 E HN 1.712 nan 8.360 nan 0.000 0.548 604 G N -2.151 106.749 108.800 0.168 0.000 3.134 604 G HA2 0.026 3.985 3.960 -0.001 0.000 0.195 604 G HA3 0.026 3.985 3.960 -0.001 0.000 0.195 604 G C 1.780 176.733 174.900 0.088 0.000 1.054 604 G CA 1.177 46.345 45.100 0.114 0.000 0.828 604 G HN 1.203 nan 8.290 nan 0.000 0.462 605 K N 0.713 121.160 120.400 0.080 0.000 2.089 605 K HA 0.080 4.400 4.320 -0.001 0.000 0.210 605 K C 3.081 179.747 176.600 0.110 0.000 1.048 605 K CA 2.673 59.006 56.287 0.076 0.000 0.926 605 K CB -1.524 31.014 32.500 0.064 0.000 0.714 605 K HN 1.575 nan 8.250 nan 0.000 0.448 606 G N -0.097 108.806 108.800 0.171 0.000 2.422 606 G HA2 -0.126 3.834 3.960 -0.001 0.000 0.218 606 G HA3 -0.126 3.834 3.960 -0.001 0.000 0.218 606 G C 1.771 176.754 174.900 0.140 0.000 1.146 606 G CA 1.423 46.680 45.100 0.262 0.000 0.769 606 G HN 0.502 nan 8.290 nan 0.000 0.547 607 M N 0.386 120.052 119.600 0.110 0.000 2.175 607 M HA 0.190 4.670 4.480 -0.001 0.000 0.264 607 M C 2.295 178.571 176.300 -0.040 0.000 1.063 607 M CA 1.112 56.377 55.300 -0.059 0.000 1.119 607 M CB -0.310 32.362 32.600 0.119 0.000 1.377 607 M HN 0.224 nan 8.290 nan 0.000 0.415 608 I N 0.259 120.840 120.570 0.019 0.000 2.252 608 I HA -0.224 3.945 4.170 -0.001 0.000 0.245 608 I C 2.422 178.572 176.117 0.055 0.000 1.102 608 I CA 1.687 63.019 61.300 0.052 0.000 1.385 608 I CB -1.338 36.737 38.000 0.124 0.000 1.064 608 I HN 0.525 nan 8.210 nan 0.000 0.414 609 D N 0.916 121.350 120.400 0.056 0.000 2.117 609 D HA -0.170 4.470 4.640 -0.001 0.000 0.198 609 D C 2.073 178.405 176.300 0.053 0.000 0.982 609 D CA 1.272 55.312 54.000 0.067 0.000 0.828 609 D CB -0.530 40.325 40.800 0.091 0.000 0.967 609 D HN 0.214 nan 8.370 nan 0.000 0.464 610 L N -0.208 121.014 121.223 -0.003 0.000 2.093 610 L HA 0.065 4.405 4.340 -0.001 0.000 0.208 610 L C 2.401 179.275 176.870 0.006 0.000 1.085 610 L CA 1.324 56.147 54.840 -0.029 0.000 0.755 610 L CB -0.287 41.619 42.059 -0.255 0.000 0.904 610 L HN 0.382 nan 8.230 nan 0.000 0.435 611 I N -0.518 120.059 120.570 0.011 0.000 2.179 611 I HA -0.283 3.886 4.170 -0.001 0.000 0.242 611 I C 2.576 178.677 176.117 -0.027 0.000 1.088 611 I CA 1.164 62.444 61.300 -0.033 0.000 1.357 611 I CB -0.542 37.357 38.000 -0.169 0.000 1.051 611 I HN 0.364 nan 8.210 nan 0.000 0.409 612 A N 0.675 123.498 122.820 0.006 0.000 1.902 612 A HA -0.198 4.121 4.320 -0.001 0.000 0.217 612 A C 2.521 180.125 177.584 0.034 0.000 1.181 612 A CA 1.950 54.008 52.037 0.035 0.000 0.623 612 A CB -0.875 18.166 19.000 0.068 0.000 0.818 612 A HN 0.441 nan 8.150 nan 0.000 0.443 613 A N -0.563 122.280 122.820 0.037 0.000 1.858 613 A HA -0.033 4.287 4.320 -0.001 0.000 0.216 613 A C 2.236 179.787 177.584 -0.054 0.000 1.190 613 A CA 1.870 53.961 52.037 0.089 0.000 0.617 613 A CB -1.147 17.985 19.000 0.220 0.000 0.827 613 A HN 0.435 nan 8.150 nan 0.000 0.443 614 V N -0.226 119.450 119.914 -0.397 0.000 2.324 614 V HA -0.365 3.754 4.120 -0.001 0.000 0.250 614 V C 2.707 178.740 176.094 -0.102 0.000 1.060 614 V CA 2.498 64.486 62.300 -0.520 0.000 1.042 614 V CB -0.929 30.653 31.823 -0.401 0.000 0.650 614 V HN 0.671 nan 8.190 nan 0.000 0.450 615 Q N 0.141 119.930 119.800 -0.019 0.000 2.014 615 Q HA -0.275 4.065 4.340 -0.001 0.000 0.207 615 Q C 2.552 178.588 176.000 0.061 0.000 0.993 615 Q CA 3.269 59.097 55.803 0.042 0.000 0.850 615 Q CB -0.478 28.280 28.738 0.032 0.000 0.916 615 Q HN 0.712 nan 8.270 nan 0.000 0.417 616 K N 0.403 120.842 120.400 0.066 0.000 2.032 616 K HA -0.274 4.046 4.320 -0.001 0.000 0.209 616 K C 1.782 178.451 176.600 0.115 0.000 1.048 616 K CA 1.881 58.220 56.287 0.086 0.000 0.927 616 K CB -1.158 31.398 32.500 0.093 0.000 0.712 616 K HN 0.336 nan 8.250 nan 0.000 0.441 617 Q N 0.267 120.163 119.800 0.160 0.000 2.112 617 Q HA -0.251 4.088 4.340 -0.001 0.000 0.206 617 Q C 2.351 178.449 176.000 0.163 0.000 0.987 617 Q CA 2.657 58.590 55.803 0.217 0.000 0.858 617 Q CB -0.356 28.620 28.738 0.397 0.000 0.905 617 Q HN 0.729 nan 8.270 nan 0.000 0.420 618 Q N -0.807 119.073 119.800 0.133 0.000 2.079 618 Q HA -0.132 4.208 4.340 -0.001 0.000 0.200 618 Q C 2.315 178.385 176.000 0.117 0.000 0.974 618 Q CA 2.590 58.477 55.803 0.139 0.000 0.840 618 Q CB -0.506 28.325 28.738 0.155 0.000 0.898 618 Q HN 0.619 nan 8.270 nan 0.000 0.430 619 Q N -0.410 119.444 119.800 0.091 0.000 2.045 619 Q HA -0.305 4.035 4.340 -0.001 0.000 0.206 619 Q C 2.099 178.138 176.000 0.064 0.000 0.991 619 Q CA 2.946 58.788 55.803 0.064 0.000 0.851 619 Q CB -1.779 26.990 28.738 0.052 0.000 0.911 619 Q HN 0.717 nan 8.270 nan 0.000 0.418 620 Q N -0.646 119.198 119.800 0.074 0.000 2.046 620 Q HA 0.003 4.343 4.340 -0.001 0.000 0.200 620 Q C 2.619 178.659 176.000 0.067 0.000 0.975 620 Q CA 3.197 59.039 55.803 0.064 0.000 0.836 620 Q CB -1.802 26.976 28.738 0.066 0.000 0.896 620 Q HN 1.052 nan 8.270 nan 0.000 0.428 621 T N -1.546 113.064 114.554 0.093 0.000 2.822 621 T HA 0.302 4.651 4.350 -0.001 0.000 0.270 621 T C 1.763 176.538 174.700 0.125 0.000 1.064 621 T CA 2.901 65.054 62.100 0.089 0.000 1.131 621 T CB -0.298 68.663 68.868 0.154 0.000 0.858 621 T HN 1.517 nan 8.240 nan 0.000 0.483 622 G N -0.566 108.321 108.800 0.146 0.000 1.701 622 G HA2 0.125 4.085 3.960 -0.001 0.000 0.057 622 G HA3 0.125 4.085 3.960 -0.001 0.000 0.057 622 G C -0.500 174.406 174.900 0.009 0.000 1.314 622 G CA 0.380 45.562 45.100 0.138 0.000 1.162 622 G HN 0.502 nan 8.290 nan 0.000 0.358 623 N N 0.711 119.347 118.700 -0.107 0.000 3.444 623 N HA 0.113 4.852 4.740 -0.001 0.000 0.148 623 N C -0.819 174.679 175.510 -0.020 0.000 1.071 623 N CA -0.191 52.856 53.050 -0.004 0.000 2.391 623 N CB -0.357 38.125 38.487 -0.008 0.000 1.507 623 N HN 0.568 nan 8.380 nan 0.000 0.732 624 H N 0.287 119.436 119.070 0.131 0.000 2.505 624 H HA 0.370 4.926 4.556 -0.001 0.000 0.358 624 H C -2.015 173.256 175.328 -0.095 0.000 1.304 624 H CA -0.974 55.108 56.048 0.056 0.000 1.393 624 H CB 0.485 30.291 29.762 0.073 0.000 1.591 624 H HN 0.109 nan 8.280 nan 0.000 0.595 625 P HA 0.040 nan 4.420 nan 0.000 0.266 625 P C -0.164 177.028 177.300 -0.179 0.000 1.195 625 P CA 0.560 63.572 63.100 -0.146 0.000 0.768 625 P CB 0.593 32.317 31.700 0.040 0.000 0.838 626 I N 1.869 122.254 120.570 -0.309 0.000 2.330 626 I HA 0.151 4.321 4.170 -0.001 0.000 0.289 626 I C 0.565 176.684 176.117 0.002 0.000 1.001 626 I CA -0.465 60.750 61.300 -0.142 0.000 1.193 626 I CB 1.021 38.922 38.000 -0.164 0.000 1.345 626 I HN 0.108 nan 8.210 nan 0.000 0.461 627 T N 6.249 120.800 114.554 -0.005 0.000 2.987 627 T HA 0.211 4.561 4.350 -0.001 0.000 0.288 627 T C 0.303 175.034 174.700 0.051 0.000 0.981 627 T CA -0.245 61.844 62.100 -0.018 0.000 1.031 627 T CB -0.093 68.710 68.868 -0.109 0.000 0.976 627 T HN 0.232 nan 8.240 nan 0.000 0.612 628 V N 5.546 125.494 119.914 0.057 0.000 2.607 628 V HA 0.532 4.651 4.120 -0.001 0.000 0.289 628 V C 0.130 176.254 176.094 0.051 0.000 1.053 628 V CA -0.614 61.678 62.300 -0.015 0.000 0.996 628 V CB 0.542 32.353 31.823 -0.020 0.000 0.995 628 V HN 1.047 nan 8.190 nan 0.000 0.476 629 H N 1.401 120.408 119.070 -0.105 0.000 3.014 629 H HA 0.708 5.263 4.556 -0.001 0.000 0.337 629 H C -0.090 175.177 175.328 -0.103 0.000 1.320 629 H CA -0.193 55.799 56.048 -0.094 0.000 1.128 629 H CB 1.177 30.897 29.762 -0.070 0.000 1.862 629 H HN 0.678 nan 8.280 nan 0.000 0.536 630 C N -0.503 118.771 119.300 -0.044 0.000 3.284 630 C HA 0.703 5.163 4.460 -0.001 0.000 0.118 630 C C 1.478 176.487 174.990 0.031 0.000 2.641 630 C CA 1.028 59.977 59.018 -0.116 0.000 0.912 630 C CB 0.924 28.551 27.740 -0.188 0.000 1.535 630 C HN 0.833 nan 8.230 nan 0.000 0.649 631 S N -0.172 115.522 115.700 -0.009 0.000 3.984 631 S HA 0.384 4.853 4.470 -0.001 0.000 0.221 631 S C 1.872 176.459 174.600 -0.021 0.000 1.149 631 S CA 1.359 59.561 58.200 0.004 0.000 0.950 631 S CB -0.738 62.453 63.200 -0.015 0.000 1.216 631 S HN 1.178 nan 8.310 nan 0.000 0.547 632 A N 0.639 123.433 122.820 -0.043 0.000 1.933 632 A HA 0.365 4.684 4.320 -0.001 0.000 0.218 632 A C 1.981 179.538 177.584 -0.045 0.000 1.175 632 A CA 2.100 54.110 52.037 -0.046 0.000 0.628 632 A CB -1.370 17.597 19.000 -0.056 0.000 0.814 632 A HN 1.737 nan 8.150 nan 0.000 0.444 633 G N -3.008 105.765 108.800 -0.045 0.000 2.213 633 G HA2 0.223 4.183 3.960 -0.001 0.000 0.236 633 G HA3 0.223 4.183 3.960 -0.001 0.000 0.236 633 G C 0.260 175.129 174.900 -0.051 0.000 0.991 633 G CA 0.469 45.542 45.100 -0.045 0.000 0.629 633 G HN 1.892 nan 8.290 nan 0.000 0.517 634 A N -0.923 121.873 122.820 -0.040 0.000 2.398 634 A HA 1.026 5.346 4.320 -0.001 0.000 0.301 634 A C 0.794 178.368 177.584 -0.016 0.000 1.041 634 A CA 1.108 53.133 52.037 -0.020 0.000 0.711 634 A CB 1.314 20.322 19.000 0.013 0.000 1.240 634 A HN 2.123 nan 8.150 nan 0.000 0.420 635 G N 1.456 110.245 108.800 -0.017 0.000 1.838 635 G HA2 -0.087 3.872 3.960 -0.001 0.000 0.067 635 G HA3 -0.087 3.872 3.960 -0.001 0.000 0.067 635 G C 0.955 175.813 174.900 -0.069 0.000 1.666 635 G CA 0.214 45.300 45.100 -0.024 0.000 1.135 635 G HN 0.663 nan 8.290 nan 0.000 0.333 636 R N 0.374 120.715 120.500 -0.265 0.000 2.070 636 R HA 0.027 4.367 4.340 -0.001 0.000 0.233 636 R C 2.754 178.961 176.300 -0.155 0.000 1.137 636 R CA 2.172 57.993 56.100 -0.465 0.000 0.945 636 R CB -0.918 28.819 30.300 -0.940 0.000 0.845 636 R HN 0.446 nan 8.270 nan 0.000 0.430 637 T N 0.057 114.525 114.554 -0.144 0.000 2.721 637 T HA -0.193 4.157 4.350 -0.001 0.000 0.268 637 T C 1.823 176.519 174.700 -0.008 0.000 1.038 637 T CA 1.595 63.654 62.100 -0.068 0.000 1.145 637 T CB -0.520 68.302 68.868 -0.077 0.000 0.858 637 T HN 0.595 nan 8.240 nan 0.000 0.459 638 G N 0.804 109.601 108.800 -0.004 0.000 2.394 638 G HA2 -0.159 3.801 3.960 -0.001 0.000 0.214 638 G HA3 -0.159 3.801 3.960 -0.001 0.000 0.214 638 G C 1.723 176.653 174.900 0.049 0.000 1.176 638 G CA 1.204 46.311 45.100 0.011 0.000 0.786 638 G HN 0.439 nan 8.290 nan 0.000 0.533 639 T N 0.954 115.588 114.554 0.133 0.000 2.685 639 T HA -0.212 4.138 4.350 -0.001 0.000 0.268 639 T C 1.911 176.721 174.700 0.184 0.000 1.034 639 T CA 1.449 63.687 62.100 0.230 0.000 1.149 639 T CB -0.309 68.850 68.868 0.484 0.000 0.860 639 T HN 0.248 nan 8.240 nan 0.000 0.449 640 F N 1.288 121.257 119.950 0.031 0.000 2.113 640 F HA 0.030 4.557 4.527 -0.001 0.000 0.297 640 F C 2.012 177.697 175.800 -0.190 0.000 1.103 640 F CA 0.945 58.919 58.000 -0.044 0.000 1.248 640 F CB -0.383 38.575 39.000 -0.071 0.000 0.999 640 F HN 0.075 nan 8.300 nan 0.000 0.475 641 I N 0.220 120.645 120.570 -0.242 0.000 2.286 641 I HA -0.299 3.870 4.170 -0.001 0.000 0.248 641 I C 2.655 178.541 176.117 -0.385 0.000 1.115 641 I CA 1.110 62.037 61.300 -0.621 0.000 1.392 641 I CB -0.927 36.685 38.000 -0.647 0.000 1.065 641 I HN 0.263 nan 8.210 nan 0.000 0.418 642 A N 1.069 123.763 122.820 -0.211 0.000 1.858 642 A HA -0.154 4.165 4.320 -0.001 0.000 0.216 642 A C 2.290 179.753 177.584 -0.201 0.000 1.190 642 A CA 1.444 53.392 52.037 -0.148 0.000 0.617 642 A CB -0.881 18.076 19.000 -0.072 0.000 0.827 642 A HN 0.355 nan 8.150 nan 0.000 0.443 643 L N -0.638 120.446 121.223 -0.232 0.000 2.056 643 L HA -0.146 4.193 4.340 -0.001 0.000 0.207 643 L C 2.884 179.542 176.870 -0.353 0.000 1.078 643 L CA 1.301 55.966 54.840 -0.292 0.000 0.749 643 L CB -0.502 41.396 42.059 -0.269 0.000 0.901 643 L HN 0.330 nan 8.230 nan 0.000 0.433 644 S N 0.225 115.658 115.700 -0.444 0.000 2.365 644 S HA -0.193 4.276 4.470 -0.001 0.000 0.225 644 S C 1.734 176.220 174.600 -0.190 0.000 1.039 644 S CA 1.757 59.729 58.200 -0.379 0.000 1.033 644 S CB -0.323 62.618 63.200 -0.431 0.000 0.887 644 S HN 0.473 nan 8.310 nan 0.000 0.447 645 N N 1.059 119.685 118.700 -0.124 0.000 2.216 645 N HA 0.112 4.851 4.740 -0.001 0.000 0.183 645 N C 1.676 177.069 175.510 -0.195 0.000 1.017 645 N CA 0.710 53.723 53.050 -0.062 0.000 0.861 645 N CB -0.437 38.078 38.487 0.048 0.000 0.986 645 N HN 0.374 nan 8.380 nan 0.000 0.428 646 I N 1.065 121.500 120.570 -0.225 0.000 2.113 646 I HA -0.249 3.921 4.170 -0.001 0.000 0.238 646 I C 2.116 178.020 176.117 -0.355 0.000 1.070 646 I CA 0.927 62.070 61.300 -0.261 0.000 1.332 646 I CB -0.285 37.555 38.000 -0.268 0.000 1.044 646 I HN 0.047 nan 8.210 nan 0.000 0.402 647 L N 0.644 121.611 121.223 -0.427 0.000 1.971 647 L HA -0.281 4.059 4.340 -0.001 0.000 0.215 647 L C 3.184 179.746 176.870 -0.512 0.000 1.072 647 L CA 2.187 56.666 54.840 -0.601 0.000 0.758 647 L CB -1.472 40.146 42.059 -0.735 0.000 0.889 647 L HN 0.380 nan 8.230 nan 0.000 0.433 648 E N 0.595 120.540 120.200 -0.426 0.000 2.086 648 E HA -0.357 3.992 4.350 -0.001 0.000 0.205 648 E C 2.210 178.435 176.600 -0.624 0.000 1.027 648 E CA 2.218 58.369 56.400 -0.415 0.000 0.830 648 E CB -0.893 28.615 29.700 -0.320 0.000 0.751 648 E HN 0.490 nan 8.360 nan 0.000 0.456 649 R N -0.418 119.564 120.500 -0.862 0.000 2.115 649 R HA -0.047 4.293 4.340 -0.001 0.000 0.230 649 R C 2.536 178.616 176.300 -0.367 0.000 1.111 649 R CA 1.287 56.864 56.100 -0.872 0.000 0.976 649 R CB -0.417 29.482 30.300 -0.668 0.000 0.870 649 R HN 0.384 nan 8.270 nan 0.000 0.445 650 V N 1.486 121.220 119.914 -0.300 0.000 2.295 650 V HA -0.256 3.864 4.120 -0.001 0.000 0.246 650 V C 2.905 178.950 176.094 -0.082 0.000 1.049 650 V CA 2.542 64.747 62.300 -0.159 0.000 1.024 650 V CB -0.932 30.791 31.823 -0.166 0.000 0.648 650 V HN 0.566 nan 8.190 nan 0.000 0.447 651 K N 0.244 120.583 120.400 -0.101 0.000 2.032 651 K HA -0.141 4.179 4.320 -0.001 0.000 0.209 651 K C 2.247 178.836 176.600 -0.018 0.000 1.048 651 K CA 2.173 58.461 56.287 0.001 0.000 0.927 651 K CB -1.287 31.224 32.500 0.018 0.000 0.712 651 K HN 0.609 nan 8.250 nan 0.000 0.441 652 A N 1.128 123.905 122.820 -0.072 0.000 1.854 652 A HA -0.091 4.229 4.320 -0.001 0.000 0.214 652 A C 2.130 179.734 177.584 0.033 0.000 1.192 652 A CA 1.763 53.801 52.037 0.001 0.000 0.611 652 A CB -0.067 18.969 19.000 0.059 0.000 0.832 652 A HN 0.670 nan 8.150 nan 0.000 0.442 653 E N -1.963 118.248 120.200 0.018 0.000 2.473 653 E HA 0.313 4.663 4.350 -0.001 0.000 0.204 653 E C 0.810 177.431 176.600 0.036 0.000 0.994 653 E CA 0.218 56.651 56.400 0.055 0.000 0.945 653 E CB 0.312 30.072 29.700 0.100 0.000 0.990 653 E HN 0.700 nan 8.360 nan 0.000 0.493 654 G N 2.092 110.900 108.800 0.013 0.000 2.246 654 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.273 654 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.273 654 G C -0.131 174.782 174.900 0.020 0.000 1.055 654 G CA 0.401 45.512 45.100 0.019 0.000 0.851 654 G HN 0.131 nan 8.290 nan 0.000 0.500 655 L N -1.290 119.938 121.223 0.008 0.000 2.350 655 L HA 0.897 5.236 4.340 -0.001 0.000 0.260 655 L C -0.189 176.677 176.870 -0.008 0.000 1.015 655 L CA -1.271 53.582 54.840 0.021 0.000 0.821 655 L CB 2.548 44.637 42.059 0.051 0.000 1.370 655 L HN 0.171 nan 8.230 nan 0.000 0.416 656 L N 1.559 122.789 121.223 0.011 0.000 2.541 656 L HA 0.486 4.826 4.340 -0.001 0.000 0.266 656 L C -1.780 175.105 176.870 0.025 0.000 0.966 656 L CA -0.104 54.726 54.840 -0.016 0.000 0.871 656 L CB 1.606 43.655 42.059 -0.016 0.000 1.232 656 L HN 0.528 nan 8.230 nan 0.000 0.408 657 D N 3.828 124.240 120.400 0.020 0.000 2.502 657 D HA 0.195 4.835 4.640 -0.001 0.000 0.301 657 D C 1.021 177.348 176.300 0.045 0.000 1.202 657 D CA -0.195 53.853 54.000 0.081 0.000 0.878 657 D CB 1.390 42.268 40.800 0.129 0.000 1.062 657 D HN 0.315 nan 8.370 nan 0.000 0.499 658 V N 1.850 121.731 119.914 -0.054 0.000 2.380 658 V HA -0.250 3.869 4.120 -0.001 0.000 0.251 658 V C 2.108 178.242 176.094 0.067 0.000 1.063 658 V CA 1.548 63.736 62.300 -0.187 0.000 1.055 658 V CB -0.745 30.639 31.823 -0.731 0.000 0.657 658 V HN 0.478 nan 8.190 nan 0.000 0.455 659 F N 0.781 120.808 119.950 0.129 0.000 2.084 659 F HA -0.162 4.364 4.527 -0.001 0.000 0.296 659 F C 2.547 178.411 175.800 0.108 0.000 1.111 659 F CA 1.842 59.981 58.000 0.232 0.000 1.224 659 F CB -0.257 38.869 39.000 0.211 0.000 0.991 659 F HN 0.069 nan 8.300 nan 0.000 0.471 660 Q N 0.325 120.171 119.800 0.075 0.000 2.297 660 Q HA -0.003 4.337 4.340 -0.001 0.000 0.204 660 Q C 2.384 178.343 176.000 -0.068 0.000 0.962 660 Q CA 0.941 56.714 55.803 -0.050 0.000 0.879 660 Q CB -0.625 28.191 28.738 0.129 0.000 0.947 660 Q HN 0.555 nan 8.270 nan 0.000 0.462 661 A N 0.422 123.225 122.820 -0.028 0.000 1.858 661 A HA -0.140 4.180 4.320 -0.001 0.000 0.216 661 A C 2.354 179.903 177.584 -0.057 0.000 1.190 661 A CA 1.717 53.736 52.037 -0.031 0.000 0.617 661 A CB -0.612 18.358 19.000 -0.049 0.000 0.827 661 A HN 0.205 nan 8.150 nan 0.000 0.443 662 V N 0.099 119.969 119.914 -0.073 0.000 2.379 662 V HA -0.197 3.923 4.120 -0.001 0.000 0.245 662 V C 2.484 178.478 176.094 -0.167 0.000 1.044 662 V CA 2.120 64.387 62.300 -0.055 0.000 1.036 662 V CB -0.685 31.192 31.823 0.090 0.000 0.664 662 V HN 0.635 nan 8.190 nan 0.000 0.453 663 K N 0.646 120.825 120.400 -0.367 0.000 2.032 663 K HA -0.237 4.083 4.320 -0.001 0.000 0.209 663 K C 2.371 178.860 176.600 -0.186 0.000 1.048 663 K CA 1.998 58.044 56.287 -0.403 0.000 0.927 663 K CB -0.424 31.668 32.500 -0.680 0.000 0.712 663 K HN 0.544 nan 8.250 nan 0.000 0.441 664 S N 1.165 116.794 115.700 -0.120 0.000 2.399 664 S HA -0.114 4.356 4.470 -0.001 0.000 0.231 664 S C 1.973 176.573 174.600 -0.001 0.000 1.022 664 S CA 1.296 59.481 58.200 -0.025 0.000 0.983 664 S CB -0.389 62.822 63.200 0.018 0.000 0.803 664 S HN 0.233 nan 8.310 nan 0.000 0.480 665 L N 0.143 121.354 121.223 -0.019 0.000 2.093 665 L HA -0.089 4.251 4.340 -0.001 0.000 0.208 665 L C 2.873 179.750 176.870 0.013 0.000 1.085 665 L CA 0.789 55.629 54.840 0.001 0.000 0.755 665 L CB -0.201 41.851 42.059 -0.012 0.000 0.904 665 L HN 0.328 nan 8.230 nan 0.000 0.435 666 R N -0.013 120.476 120.500 -0.018 0.000 2.115 666 R HA -0.074 4.266 4.340 -0.001 0.000 0.230 666 R C 2.086 178.429 176.300 0.072 0.000 1.111 666 R CA 1.037 57.133 56.100 -0.007 0.000 0.976 666 R CB -0.270 29.984 30.300 -0.077 0.000 0.870 666 R HN 0.395 nan 8.270 nan 0.000 0.445 667 L N 0.451 121.709 121.223 0.058 0.000 2.395 667 L HA -0.085 4.254 4.340 -0.001 0.000 0.218 667 L C 1.946 178.951 176.870 0.225 0.000 1.130 667 L CA 0.999 55.897 54.840 0.095 0.000 0.826 667 L CB -0.308 41.776 42.059 0.043 0.000 0.941 667 L HN 0.242 nan 8.230 nan 0.000 0.451 668 Q N -0.199 119.720 119.800 0.198 0.000 2.376 668 Q HA 0.120 4.460 4.340 -0.001 0.000 0.206 668 Q C 0.591 176.680 176.000 0.148 0.000 0.921 668 Q CA 0.248 56.168 55.803 0.195 0.000 0.911 668 Q CB 0.832 29.636 28.738 0.110 0.000 1.032 668 Q HN 0.273 nan 8.270 nan 0.000 0.510 669 R N 0.818 121.396 120.500 0.130 0.000 2.633 669 R HA 0.221 4.560 4.340 -0.001 0.000 0.256 669 R C -3.023 173.236 176.300 -0.070 0.000 1.131 669 R CA -1.613 54.450 56.100 -0.062 0.000 0.994 669 R CB 1.883 32.126 30.300 -0.095 0.000 1.261 669 R HN -0.156 nan 8.270 nan 0.000 0.446 670 P HA 0.103 nan 4.420 nan 0.000 0.275 670 P C -0.974 176.236 177.300 -0.149 0.000 1.227 670 P CA 0.495 63.450 63.100 -0.241 0.000 0.781 670 P CB 0.444 31.931 31.700 -0.355 0.000 0.906 671 H N 0.495 119.561 119.070 -0.007 0.000 2.839 671 H HA -0.134 4.422 4.556 -0.001 0.000 0.298 671 H C 1.148 176.484 175.328 0.015 0.000 1.224 671 H CA 0.358 56.410 56.048 0.007 0.000 1.144 671 H CB -1.680 28.082 29.762 -0.000 0.000 1.372 671 H HN 0.412 nan 8.280 nan 0.000 0.408 672 M N -0.137 119.508 119.600 0.074 0.000 2.101 672 M HA -0.026 4.453 4.480 -0.001 0.000 0.259 672 M C 1.298 177.654 176.300 0.093 0.000 1.083 672 M CA 1.122 56.455 55.300 0.055 0.000 1.114 672 M CB -0.144 32.468 32.600 0.020 0.000 1.281 672 M HN 0.044 nan 8.290 nan 0.000 0.422 673 V N 1.292 121.284 119.914 0.129 0.000 2.427 673 V HA -0.016 4.103 4.120 -0.001 0.000 0.268 673 V C 1.114 177.372 176.094 0.274 0.000 1.046 673 V CA 0.134 62.563 62.300 0.215 0.000 0.970 673 V CB 0.864 32.865 31.823 0.297 0.000 1.001 673 V HN 0.510 nan 8.190 nan 0.000 0.476 674 Q N 3.565 123.515 119.800 0.251 0.000 2.324 674 Q HA 0.067 4.406 4.340 -0.001 0.000 0.207 674 Q C 0.862 177.067 176.000 0.341 0.000 0.928 674 Q CA 0.780 56.740 55.803 0.262 0.000 0.890 674 Q CB 0.719 29.547 28.738 0.149 0.000 1.001 674 Q HN 0.888 nan 8.270 nan 0.000 0.517 675 T N -2.244 112.450 114.554 0.234 0.000 2.893 675 T HA 0.245 4.594 4.350 -0.001 0.000 0.291 675 T C 0.695 175.228 174.700 -0.278 0.000 1.028 675 T CA -0.806 61.342 62.100 0.079 0.000 0.995 675 T CB 1.513 70.421 68.868 0.068 0.000 1.051 675 T HN 0.130 nan 8.240 nan 0.000 0.470 676 L N 2.193 123.016 121.223 -0.668 0.000 2.043 676 L HA 0.018 4.358 4.340 -0.001 0.000 0.212 676 L C 2.750 179.462 176.870 -0.264 0.000 1.075 676 L CA 2.978 57.284 54.840 -0.892 0.000 0.752 676 L CB -1.410 40.338 42.059 -0.518 0.000 0.891 676 L HN 1.028 nan 8.230 nan 0.000 0.432 677 E N -0.837 119.304 120.200 -0.099 0.000 2.077 677 E HA -0.285 4.065 4.350 -0.001 0.000 0.193 677 E C 2.070 178.735 176.600 0.108 0.000 0.989 677 E CA 1.562 57.975 56.400 0.021 0.000 0.800 677 E CB -0.858 28.859 29.700 0.029 0.000 0.746 677 E HN 0.800 nan 8.360 nan 0.000 0.452 678 Q N -1.774 118.103 119.800 0.128 0.000 2.124 678 Q HA -0.109 4.230 4.340 -0.001 0.000 0.202 678 Q C 2.123 178.301 176.000 0.296 0.000 0.977 678 Q CA 1.698 57.657 55.803 0.260 0.000 0.850 678 Q CB -0.262 28.642 28.738 0.277 0.000 0.901 678 Q HN 0.783 nan 8.270 nan 0.000 0.429 679 Y N 0.804 121.145 120.300 0.069 0.000 2.263 679 Y HA -0.176 4.374 4.550 -0.001 0.000 0.292 679 Y C 2.370 178.388 175.900 0.197 0.000 1.130 679 Y CA 1.873 60.047 58.100 0.122 0.000 1.179 679 Y CB -0.212 38.302 38.460 0.091 0.000 0.998 679 Y HN 0.177 nan 8.280 nan 0.000 0.532 680 E N -0.031 120.290 120.200 0.202 0.000 2.152 680 E HA -0.218 4.131 4.350 -0.001 0.000 0.192 680 E C 1.869 178.565 176.600 0.161 0.000 0.983 680 E CA 1.166 57.674 56.400 0.180 0.000 0.818 680 E CB -1.481 28.299 29.700 0.133 0.000 0.758 680 E HN 0.622 nan 8.360 nan 0.000 0.467 681 F N 0.442 120.405 119.950 0.022 0.000 2.269 681 F HA -0.126 4.400 4.527 -0.001 0.000 0.301 681 F C 2.302 178.076 175.800 -0.043 0.000 1.082 681 F CA 1.264 59.256 58.000 -0.014 0.000 1.360 681 F CB -0.488 38.495 39.000 -0.028 0.000 1.041 681 F HN 0.315 nan 8.300 nan 0.000 0.512 682 C N -0.439 118.772 119.300 -0.150 0.000 2.446 682 C HA -0.179 4.280 4.460 -0.001 0.000 0.277 682 C C 2.537 177.284 174.990 -0.405 0.000 1.275 682 C CA 0.942 59.755 59.018 -0.343 0.000 1.727 682 C CB -1.531 26.000 27.740 -0.349 0.000 2.010 682 C HN 0.523 nan 8.230 nan 0.000 0.486 683 Y N 1.770 121.910 120.300 -0.268 0.000 2.145 683 Y HA -0.143 4.406 4.550 -0.001 0.000 0.286 683 Y C 2.706 178.495 175.900 -0.185 0.000 1.145 683 Y CA 2.280 60.258 58.100 -0.202 0.000 1.148 683 Y CB -0.888 37.477 38.460 -0.158 0.000 0.981 683 Y HN 0.323 nan 8.280 nan 0.000 0.507 684 K N 0.279 120.655 120.400 -0.039 0.000 2.044 684 K HA -0.171 4.149 4.320 -0.001 0.000 0.210 684 K C 2.092 178.572 176.600 -0.199 0.000 1.049 684 K CA 2.143 58.371 56.287 -0.099 0.000 0.927 684 K CB -1.660 30.794 32.500 -0.078 0.000 0.713 684 K HN 0.251 nan 8.250 nan 0.000 0.443 685 V N 0.902 120.574 119.914 -0.404 0.000 2.427 685 V HA -0.202 3.918 4.120 -0.001 0.000 0.248 685 V C 2.512 178.506 176.094 -0.168 0.000 1.051 685 V CA 1.654 63.732 62.300 -0.369 0.000 1.048 685 V CB -0.164 31.321 31.823 -0.563 0.000 0.666 685 V HN 0.406 nan 8.190 nan 0.000 0.456 686 V N -0.027 119.785 119.914 -0.171 0.000 2.358 686 V HA -0.258 3.862 4.120 -0.001 0.000 0.246 686 V C 3.050 179.156 176.094 0.020 0.000 1.047 686 V CA 2.300 64.550 62.300 -0.084 0.000 1.035 686 V CB -1.258 30.481 31.823 -0.140 0.000 0.658 686 V HN 0.662 nan 8.190 nan 0.000 0.452 687 Q N 0.176 119.978 119.800 0.004 0.000 2.124 687 Q HA -0.276 4.064 4.340 -0.001 0.000 0.202 687 Q C 1.909 177.919 176.000 0.016 0.000 0.977 687 Q CA 2.683 58.498 55.803 0.021 0.000 0.850 687 Q CB -1.670 27.079 28.738 0.017 0.000 0.901 687 Q HN 0.844 nan 8.270 nan 0.000 0.429 688 D N -1.046 119.356 120.400 0.003 0.000 2.149 688 D HA 0.008 4.648 4.640 -0.001 0.000 0.201 688 D C 1.711 178.028 176.300 0.028 0.000 0.972 688 D CA 1.106 55.107 54.000 0.001 0.000 0.835 688 D CB -0.436 40.353 40.800 -0.019 0.000 0.966 688 D HN 0.636 nan 8.370 nan 0.000 0.476 689 F N 0.256 120.155 119.950 -0.086 0.000 2.259 689 F HA 0.116 4.642 4.527 -0.001 0.000 0.298 689 F C 2.094 177.858 175.800 -0.060 0.000 1.088 689 F CA 0.849 58.802 58.000 -0.077 0.000 1.358 689 F CB 0.050 38.990 39.000 -0.101 0.000 1.040 689 F HN 0.097 nan 8.300 nan 0.000 0.505 690 I N 0.453 121.085 120.570 0.103 0.000 2.614 690 I HA -0.101 4.069 4.170 -0.001 0.000 0.258 690 I C 1.249 177.326 176.117 -0.067 0.000 1.189 690 I CA 0.983 62.300 61.300 0.027 0.000 1.462 690 I CB -1.098 36.940 38.000 0.062 0.000 1.092 690 I HN 0.308 nan 8.210 nan 0.000 0.442 691 D N 0.000 120.355 120.400 -0.075 0.000 6.856 691 D HA 0.000 4.640 4.640 -0.001 0.000 0.175 691 D CA 0.000 53.953 54.000 -0.079 0.000 0.868 691 D CB 0.000 40.774 40.800 -0.044 0.000 0.688 691 D HN 0.000 nan 8.370 nan 0.000 0.683