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 2id4_1_B DATA FIRST_RESID 122 DATA SEQUENCE LPVKEAEDKL SINDPLFERQ WHLVNPSFPG SDINVLDLWY NNITGAGVVA DATA SEQUENCE AIVDDGLDYE NEDLKDNFXA EGSWDFNDNT NLPKPRLSDD YHGTRCAGEI DATA SEQUENCE AAKKGNNFcG VGVGYNAKIS GIRILSGDIT TEDEAASLIY GLDVNDIYSC DATA SEQUENCE SWGPADDGRH LQGPSDLVKK ALVKGVTEGR DSKGAIYVFA SGNGGTRGDN DATA SEQUENCE cNYDGYTNSI YSITIGAIDH KDLHPPYSEG cSAVMAVTYS SGSGEYIHSS DATA SEQUENCE DINGRcSNSH GGTSAAAPLA AGVYTLLLEA NPNLTWRDVQ YLSILSAVGL DATA SEQUENCE EKNADGDWRD SAMGKKYSHR YGFGKIDAHK LIEMSKTWEN VNAQTWFYLP DATA SEQUENCE TLYVSQSTNS TEETLESVIT ISEKSLQDAN FKRIEHVTVT VDIDTEIRGT DATA SEQUENCE TTVDLISPAG IISNLGVVRP RDVSSEGFKD WTFMSVAHWG ENGVGDWKIK DATA SEQUENCE VKTTENGHRI DFHSWRLKLF GESIDSSKT 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 122 L HA 0.000 nan 4.340 nan 0.000 0.249 122 L C 0.000 176.909 176.870 0.066 0.000 1.165 122 L CA 0.000 54.864 54.840 0.040 0.000 0.813 122 L CB 0.000 42.077 42.059 0.030 0.000 0.961 123 P HA -0.089 nan 4.420 nan 0.000 0.216 123 P C 1.976 179.365 177.300 0.148 0.000 1.153 123 P CA 1.730 64.891 63.100 0.100 0.000 0.858 123 P CB 0.173 31.914 31.700 0.069 0.000 0.789 124 V N 0.548 120.532 119.914 0.117 0.000 2.295 124 V HA -0.241 3.879 4.120 -0.000 0.000 0.246 124 V C 2.304 178.542 176.094 0.239 0.000 1.049 124 V CA 1.777 64.178 62.300 0.169 0.000 1.024 124 V CB -0.962 30.889 31.823 0.046 0.000 0.648 124 V HN 0.149 nan 8.190 nan 0.000 0.447 125 K N 0.061 120.550 120.400 0.149 0.000 2.097 125 K HA -0.204 4.116 4.320 -0.000 0.000 0.206 125 K C 2.082 178.757 176.600 0.126 0.000 1.049 125 K CA 1.394 57.756 56.287 0.125 0.000 0.933 125 K CB -0.355 32.191 32.500 0.077 0.000 0.717 125 K HN 0.592 nan 8.250 nan 0.000 0.442 126 E N 1.144 121.423 120.200 0.132 0.000 2.051 126 E HA -0.176 4.174 4.350 -0.000 0.000 0.192 126 E C 1.994 178.707 176.600 0.187 0.000 0.991 126 E CA 1.120 57.594 56.400 0.124 0.000 0.799 126 E CB -0.004 29.767 29.700 0.119 0.000 0.748 126 E HN 0.245 nan 8.360 nan 0.000 0.449 127 A N 1.307 124.308 122.820 0.301 0.000 1.883 127 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 127 A C 1.933 179.619 177.584 0.170 0.000 1.186 127 A CA 1.835 54.099 52.037 0.378 0.000 0.624 127 A CB -0.590 18.695 19.000 0.474 0.000 0.822 127 A HN 0.360 nan 8.150 nan 0.000 0.444 128 E N -0.533 119.744 120.200 0.128 0.000 2.077 128 E HA -0.209 4.141 4.350 -0.000 0.000 0.193 128 E C 1.768 178.366 176.600 -0.002 0.000 0.989 128 E CA 1.105 57.508 56.400 0.005 0.000 0.800 128 E CB -0.188 29.560 29.700 0.080 0.000 0.746 128 E HN 0.709 nan 8.360 nan 0.000 0.452 129 D N 1.018 121.440 120.400 0.037 0.000 2.084 129 D HA -0.153 4.487 4.640 -0.000 0.000 0.196 129 D C 1.774 178.078 176.300 0.008 0.000 0.985 129 D CA 1.054 55.064 54.000 0.016 0.000 0.826 129 D CB 0.189 41.001 40.800 0.020 0.000 0.978 129 D HN 0.024 nan 8.370 nan 0.000 0.456 130 K N -0.182 120.237 120.400 0.032 0.000 2.057 130 K HA -0.044 4.276 4.320 -0.000 0.000 0.207 130 K C 1.872 178.503 176.600 0.051 0.000 1.049 130 K CA 0.687 56.986 56.287 0.021 0.000 0.931 130 K CB 0.116 32.597 32.500 -0.030 0.000 0.714 130 K HN 0.234 nan 8.250 nan 0.000 0.440 131 L N 0.684 121.942 121.223 0.057 0.000 2.769 131 L HA 0.131 4.471 4.340 -0.000 0.000 0.240 131 L C -0.194 176.590 176.870 -0.145 0.000 1.163 131 L CA -0.256 54.569 54.840 -0.024 0.000 0.962 131 L CB 0.440 42.474 42.059 -0.042 0.000 1.258 131 L HN -0.012 nan 8.230 nan 0.000 0.513 132 S N 1.064 116.703 115.700 -0.102 0.000 3.550 132 S HA -0.182 4.288 4.470 -0.000 0.000 0.372 132 S C 0.326 174.814 174.600 -0.188 0.000 0.966 132 S CA 0.417 58.547 58.200 -0.117 0.000 1.229 132 S CB -1.654 61.487 63.200 -0.098 0.000 0.917 132 S HN 0.335 nan 8.310 nan 0.000 0.496 133 I N 2.449 122.879 120.570 -0.234 0.000 2.294 133 I HA 0.137 4.307 4.170 -0.000 0.000 0.295 133 I C 1.050 177.065 176.117 -0.169 0.000 1.098 133 I CA -0.424 60.681 61.300 -0.324 0.000 1.277 133 I CB 0.439 38.058 38.000 -0.634 0.000 1.434 133 I HN 0.333 nan 8.210 nan 0.000 0.498 134 N N 3.261 121.889 118.700 -0.120 0.000 2.214 134 N HA 0.024 4.764 4.740 -0.000 0.000 0.214 134 N C -0.414 175.085 175.510 -0.018 0.000 1.132 134 N CA -0.487 52.535 53.050 -0.047 0.000 0.856 134 N CB -0.138 38.328 38.487 -0.036 0.000 1.020 134 N HN 0.391 nan 8.380 nan 0.000 0.509 135 D N 2.480 122.860 120.400 -0.034 0.000 2.371 135 D HA 0.072 4.712 4.640 -0.000 0.000 0.256 135 D C -1.287 175.045 176.300 0.054 0.000 1.193 135 D CA -1.207 52.799 54.000 0.010 0.000 0.881 135 D CB 1.319 42.118 40.800 -0.002 0.000 1.143 135 D HN 0.149 nan 8.370 nan 0.000 0.473 136 P HA -0.153 nan 4.420 nan 0.000 0.219 136 P C 0.944 178.256 177.300 0.020 0.000 1.146 136 P CA 0.574 63.686 63.100 0.020 0.000 0.808 136 P CB 0.368 32.063 31.700 -0.009 0.000 0.779 137 L N -2.382 118.853 121.223 0.020 0.000 2.567 137 L HA 0.194 4.534 4.340 -0.000 0.000 0.225 137 L C 2.103 178.995 176.870 0.036 0.000 1.119 137 L CA 0.295 55.135 54.840 0.000 0.000 0.871 137 L CB -1.172 40.886 42.059 -0.002 0.000 1.036 137 L HN -0.215 nan 8.230 nan 0.000 0.459 138 F N 0.872 120.798 119.950 -0.040 0.000 2.126 138 F HA -0.247 4.280 4.527 -0.000 0.000 0.299 138 F C 2.226 178.007 175.800 -0.031 0.000 1.096 138 F CA 1.790 59.775 58.000 -0.025 0.000 1.255 138 F CB -0.033 38.962 39.000 -0.009 0.000 0.997 138 F HN 0.188 nan 8.300 nan 0.000 0.479 139 E N -0.421 119.725 120.200 -0.090 0.000 2.333 139 E HA -0.173 4.177 4.350 -0.000 0.000 0.198 139 E C 1.971 178.460 176.600 -0.185 0.000 1.007 139 E CA 0.615 56.919 56.400 -0.160 0.000 0.845 139 E CB -0.041 29.641 29.700 -0.030 0.000 0.766 139 E HN 0.484 nan 8.360 nan 0.000 0.507 140 R N 0.004 120.374 120.500 -0.216 0.000 2.308 140 R HA 0.096 4.436 4.340 -0.000 0.000 0.202 140 R C 0.429 176.580 176.300 -0.248 0.000 0.898 140 R CA 0.018 55.944 56.100 -0.291 0.000 1.046 140 R CB 0.412 30.375 30.300 -0.560 0.000 1.026 140 R HN 0.091 nan 8.270 nan 0.000 0.512 141 Q N 1.622 121.261 119.800 -0.268 0.000 3.026 141 Q HA -0.013 4.327 4.340 -0.000 0.000 0.258 141 Q C 0.526 176.232 176.000 -0.491 0.000 1.388 141 Q CA -0.231 55.379 55.803 -0.323 0.000 1.000 141 Q CB 0.071 28.634 28.738 -0.292 0.000 1.634 141 Q HN 0.480 nan 8.270 nan 0.000 0.571 142 W N 1.945 123.168 121.300 -0.128 0.000 2.421 142 W HA -0.183 4.477 4.660 -0.000 0.000 0.270 142 W C 1.087 177.497 176.519 -0.181 0.000 1.233 142 W CA 0.941 58.202 57.345 -0.141 0.000 1.226 142 W CB -0.623 28.818 29.460 -0.032 0.000 1.121 142 W HN 0.618 nan 8.180 nan 0.000 0.579 143 H N -0.179 118.390 119.070 -0.836 0.000 2.495 143 H HA -0.048 4.508 4.556 -0.000 0.000 0.287 143 H C 1.756 176.911 175.328 -0.289 0.000 1.033 143 H CA 0.779 56.398 56.048 -0.716 0.000 1.307 143 H CB -0.676 28.553 29.762 -0.889 0.000 1.401 143 H HN 0.110 nan 8.280 nan 0.000 0.555 144 L N 1.102 121.885 121.223 -0.733 0.000 2.084 144 L HA 0.141 4.481 4.340 -0.000 0.000 0.202 144 L C 0.800 177.503 176.870 -0.278 0.000 1.074 144 L CA 0.619 55.204 54.840 -0.426 0.000 0.757 144 L CB 0.027 41.899 42.059 -0.312 0.000 0.918 144 L HN 0.260 nan 8.230 nan 0.000 0.444 145 V N 0.189 119.938 119.914 -0.275 0.000 2.655 145 V HA 0.465 4.585 4.120 -0.000 0.000 0.301 145 V C -1.199 174.842 176.094 -0.088 0.000 1.082 145 V CA -0.810 61.397 62.300 -0.154 0.000 0.899 145 V CB 1.790 33.550 31.823 -0.106 0.000 1.014 145 V HN 0.323 nan 8.190 nan 0.000 0.429 146 N N 8.516 127.217 118.700 0.002 0.000 2.546 146 N HA 0.522 5.262 4.740 -0.000 0.000 0.238 146 N C -1.802 173.743 175.510 0.059 0.000 0.984 146 N CA -1.967 51.143 53.050 0.100 0.000 0.935 146 N CB 2.243 40.825 38.487 0.160 0.000 1.122 146 N HN 0.517 nan 8.380 nan 0.000 0.510 147 P HA 0.047 nan 4.420 nan 0.000 0.224 147 P C 0.879 178.153 177.300 -0.044 0.000 1.157 147 P CA 0.624 63.721 63.100 -0.005 0.000 0.799 147 P CB 0.591 32.283 31.700 -0.013 0.000 0.809 148 S N -0.748 114.932 115.700 -0.033 0.000 2.371 148 S HA 0.040 4.510 4.470 -0.000 0.000 0.224 148 S C 0.483 174.777 174.600 -0.510 0.000 1.029 148 S CA 0.890 58.962 58.200 -0.214 0.000 0.978 148 S CB -0.466 62.699 63.200 -0.059 0.000 0.833 148 S HN 0.095 nan 8.310 nan 0.000 0.466 149 F N 1.705 121.632 119.950 -0.038 0.000 2.564 149 F HA 0.416 4.943 4.527 -0.000 0.000 0.361 149 F C -2.890 172.886 175.800 -0.040 0.000 1.161 149 F CA -2.666 55.295 58.000 -0.064 0.000 1.198 149 F CB 0.824 39.744 39.000 -0.133 0.000 1.424 149 F HN -0.135 nan 8.300 nan 0.000 0.517 150 P HA 0.143 nan 4.420 nan 0.000 0.262 150 P C 0.962 178.298 177.300 0.060 0.000 1.182 150 P CA 1.243 64.366 63.100 0.037 0.000 0.761 150 P CB 0.802 32.503 31.700 0.002 0.000 0.795 151 G N 2.297 111.129 108.800 0.052 0.000 2.268 151 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.240 151 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.240 151 G C 0.649 175.612 174.900 0.106 0.000 1.010 151 G CA 0.102 45.241 45.100 0.064 0.000 0.618 151 G HN 0.506 nan 8.290 nan 0.000 0.516 152 S N 2.312 118.071 115.700 0.098 0.000 3.324 152 S HA 0.489 4.959 4.470 -0.000 0.000 0.229 152 S C 0.050 174.513 174.600 -0.229 0.000 1.417 152 S CA 0.594 58.835 58.200 0.067 0.000 1.211 152 S CB -0.122 63.103 63.200 0.042 0.000 1.157 152 S HN 0.897 nan 8.310 nan 0.000 0.491 153 D N -0.935 119.411 120.400 -0.090 0.000 2.652 153 D HA 0.283 4.923 4.640 -0.000 0.000 0.285 153 D C 0.822 177.231 176.300 0.182 0.000 1.173 153 D CA -1.028 52.890 54.000 -0.136 0.000 0.981 153 D CB 0.182 40.929 40.800 -0.088 0.000 1.440 153 D HN 0.122 nan 8.370 nan 0.000 0.485 154 I N -3.186 117.474 120.570 0.150 0.000 3.444 154 I HA 0.201 4.371 4.170 -0.000 0.000 0.287 154 I C 0.263 176.393 176.117 0.021 0.000 1.302 154 I CA -0.024 61.366 61.300 0.150 0.000 1.368 154 I CB -0.854 37.210 38.000 0.107 0.000 1.048 154 I HN 0.384 nan 8.210 nan 0.000 0.487 155 N N 0.743 119.424 118.700 -0.031 0.000 2.681 155 N HA -0.180 4.560 4.740 -0.000 0.000 0.259 155 N C 0.278 175.707 175.510 -0.136 0.000 1.066 155 N CA 0.831 53.842 53.050 -0.066 0.000 0.717 155 N CB -1.093 37.397 38.487 0.004 0.000 0.885 155 N HN 0.394 nan 8.380 nan 0.000 0.547 156 V N 1.137 120.865 119.914 -0.310 0.000 3.635 156 V HA 0.239 4.359 4.120 -0.000 0.000 0.266 156 V C 1.970 177.621 176.094 -0.738 0.000 1.316 156 V CA 0.513 62.486 62.300 -0.545 0.000 1.060 156 V CB -0.017 31.331 31.823 -0.792 0.000 0.820 156 V HN 0.481 nan 8.190 nan 0.000 0.447 157 L N 0.024 120.895 121.223 -0.588 0.000 2.012 157 L HA -0.177 4.163 4.340 -0.000 0.000 0.210 157 L C 2.265 178.768 176.870 -0.612 0.000 1.073 157 L CA 2.216 56.687 54.840 -0.615 0.000 0.748 157 L CB -0.648 41.164 42.059 -0.412 0.000 0.891 157 L HN 0.367 nan 8.230 nan 0.000 0.431 158 D N -0.200 120.041 120.400 -0.264 0.000 2.219 158 D HA -0.113 4.527 4.640 -0.000 0.000 0.205 158 D C 2.374 178.752 176.300 0.130 0.000 0.970 158 D CA 0.915 54.925 54.000 0.017 0.000 0.851 158 D CB 0.074 40.883 40.800 0.015 0.000 0.943 158 D HN 0.324 nan 8.370 nan 0.000 0.488 159 L N -0.406 120.853 121.223 0.060 0.000 2.027 159 L HA -0.136 4.204 4.340 -0.000 0.000 0.206 159 L C 2.548 179.528 176.870 0.182 0.000 1.074 159 L CA 0.788 55.679 54.840 0.086 0.000 0.745 159 L CB -0.386 41.667 42.059 -0.010 0.000 0.898 159 L HN 0.112 nan 8.230 nan 0.000 0.433 160 W N -0.112 121.169 121.300 -0.031 0.000 2.335 160 W HA -0.216 4.444 4.660 0.000 0.000 0.311 160 W C 2.622 179.217 176.519 0.127 0.000 1.213 160 W CA 0.703 58.056 57.345 0.013 0.000 1.274 160 W CB -1.366 28.096 29.460 0.003 0.000 1.148 160 W HN 0.168 nan 8.180 nan 0.000 0.498 161 Y N -0.160 120.337 120.300 0.329 0.000 2.403 161 Y HA -0.175 4.375 4.550 -0.000 0.000 0.291 161 Y C 1.961 177.954 175.900 0.156 0.000 1.143 161 Y CA 1.196 59.419 58.100 0.204 0.000 1.257 161 Y CB -1.437 37.116 38.460 0.156 0.000 0.984 161 Y HN -0.011 nan 8.280 nan 0.000 0.550 162 N N 0.015 118.896 118.700 0.302 0.000 2.251 162 N HA -0.000 4.739 4.740 -0.000 0.000 0.217 162 N C -0.119 175.486 175.510 0.159 0.000 1.124 162 N CA 0.263 53.434 53.050 0.201 0.000 0.843 162 N CB -0.299 38.292 38.487 0.173 0.000 1.024 162 N HN 0.105 nan 8.380 nan 0.000 0.501 163 N N -0.142 118.667 118.700 0.181 0.000 2.776 163 N HA -0.158 4.582 4.740 -0.000 0.000 0.250 163 N C -1.459 174.109 175.510 0.097 0.000 1.112 163 N CA 0.429 53.558 53.050 0.132 0.000 0.733 163 N CB -1.282 37.265 38.487 0.101 0.000 1.097 163 N HN 0.146 nan 8.380 nan 0.000 0.558 164 I N 1.320 121.962 120.570 0.119 0.000 2.307 164 I HA 0.273 4.442 4.170 -0.000 0.000 0.289 164 I C 1.427 177.594 176.117 0.083 0.000 1.021 164 I CA 0.232 61.581 61.300 0.082 0.000 1.224 164 I CB 0.640 38.683 38.000 0.073 0.000 1.376 164 I HN 0.363 nan 8.210 nan 0.000 0.470 165 T N -0.025 114.507 114.554 -0.037 0.000 3.130 165 T HA 0.285 4.635 4.350 -0.000 0.000 0.288 165 T C 1.071 175.645 174.700 -0.211 0.000 0.936 165 T CA 0.321 62.263 62.100 -0.264 0.000 0.897 165 T CB 0.630 69.203 68.868 -0.492 0.000 1.178 165 T HN 0.839 nan 8.240 nan 0.000 0.543 166 G N 1.629 110.389 108.800 -0.066 0.000 2.176 166 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.253 166 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.253 166 G C 0.416 175.303 174.900 -0.021 0.000 0.979 166 G CA -0.164 44.920 45.100 -0.027 0.000 0.641 166 G HN 1.364 nan 8.290 nan 0.000 0.530 167 A N -0.087 122.714 122.820 -0.032 0.000 2.546 167 A HA 0.614 4.934 4.320 -0.000 0.000 0.243 167 A C 2.074 179.659 177.584 0.002 0.000 1.063 167 A CA 2.068 54.098 52.037 -0.011 0.000 0.757 167 A CB -0.114 18.882 19.000 -0.007 0.000 0.991 167 A HN 2.401 nan 8.150 nan 0.000 0.503 168 G N 0.950 109.752 108.800 0.004 0.000 2.199 168 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.254 168 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.254 168 G C 0.184 175.086 174.900 0.004 0.000 0.982 168 G CA 0.198 45.301 45.100 0.005 0.000 0.632 168 G HN 1.472 nan 8.290 nan 0.000 0.529 169 V N 0.567 120.484 119.914 0.005 0.000 2.630 169 V HA 0.741 4.861 4.120 -0.000 0.000 0.305 169 V C 0.345 176.436 176.094 -0.005 0.000 1.046 169 V CA -0.799 61.505 62.300 0.006 0.000 0.934 169 V CB 2.046 33.882 31.823 0.021 0.000 1.003 169 V HN 0.328 nan 8.190 nan 0.000 0.451 170 V N 2.715 122.616 119.914 -0.022 0.000 2.444 170 V HA 0.790 4.910 4.120 -0.000 0.000 0.294 170 V C 0.120 176.175 176.094 -0.065 0.000 1.022 170 V CA -0.529 61.746 62.300 -0.042 0.000 0.850 170 V CB 1.578 33.363 31.823 -0.063 0.000 0.992 170 V HN 1.020 nan 8.190 nan 0.000 0.426 171 A N 3.825 126.620 122.820 -0.042 0.000 2.318 171 A HA 0.917 5.237 4.320 -0.000 0.000 0.324 171 A C 0.064 177.613 177.584 -0.058 0.000 1.170 171 A CA -0.376 51.630 52.037 -0.053 0.000 0.810 171 A CB 1.290 20.301 19.000 0.018 0.000 1.198 171 A HN 1.295 nan 8.150 nan 0.000 0.484 172 A N 2.485 125.220 122.820 -0.141 0.000 2.274 172 A HA 0.647 4.967 4.320 -0.000 0.000 0.309 172 A C -0.567 177.065 177.584 0.079 0.000 1.226 172 A CA -0.360 51.645 52.037 -0.052 0.000 0.853 172 A CB -0.088 18.802 19.000 -0.183 0.000 1.146 172 A HN 0.671 nan 8.150 nan 0.000 0.518 173 I N 3.115 123.770 120.570 0.141 0.000 2.297 173 I HA 0.195 4.364 4.170 -0.000 0.000 0.291 173 I C -0.161 176.093 176.117 0.228 0.000 1.033 173 I CA 0.089 61.493 61.300 0.174 0.000 1.253 173 I CB 1.450 39.538 38.000 0.147 0.000 1.396 173 I HN 0.313 nan 8.210 nan 0.000 0.476 174 V N 6.537 126.632 119.914 0.302 0.000 2.353 174 V HA 0.415 4.535 4.120 -0.000 0.000 0.264 174 V C 0.088 176.344 176.094 0.269 0.000 1.049 174 V CA 0.055 62.561 62.300 0.343 0.000 0.896 174 V CB 0.317 32.458 31.823 0.530 0.000 1.025 174 V HN 0.768 nan 8.190 nan 0.000 0.475 175 D N 2.647 123.102 120.400 0.092 0.000 3.948 175 D HA 0.084 4.723 4.640 -0.000 0.000 0.338 175 D C -0.470 175.795 176.300 -0.058 0.000 1.541 175 D CA -0.024 53.988 54.000 0.020 0.000 0.973 175 D CB 1.473 42.358 40.800 0.142 0.000 1.449 175 D HN 0.531 nan 8.370 nan 0.000 0.624 176 D N 0.182 120.550 120.400 -0.054 0.000 2.336 176 D HA 0.424 5.064 4.640 -0.000 0.000 0.228 176 D C 0.889 177.167 176.300 -0.037 0.000 1.120 176 D CA 0.405 54.362 54.000 -0.072 0.000 0.839 176 D CB 0.377 41.112 40.800 -0.110 0.000 0.932 176 D HN 0.710 nan 8.370 nan 0.000 0.509 177 G N -0.467 108.333 108.800 0.001 0.000 2.353 177 G HA2 0.169 4.129 3.960 -0.000 0.000 0.615 177 G HA3 0.169 4.129 3.960 -0.000 0.000 0.615 177 G C -1.985 172.936 174.900 0.035 0.000 1.280 177 G CA -0.615 44.497 45.100 0.020 0.000 1.000 177 G HN 0.492 nan 8.290 nan 0.000 0.516 178 L N 0.133 121.381 121.223 0.041 0.000 2.528 178 L HA 0.548 4.888 4.340 -0.000 0.000 0.267 178 L C -1.117 175.705 176.870 -0.080 0.000 0.961 178 L CA -0.805 54.055 54.840 0.033 0.000 0.866 178 L CB 1.889 44.035 42.059 0.145 0.000 1.248 178 L HN 0.676 nan 8.230 nan 0.000 0.404 179 D N 3.830 124.143 120.400 -0.146 0.000 2.441 179 D HA 0.009 4.649 4.640 -0.000 0.000 0.243 179 D C 0.716 176.805 176.300 -0.351 0.000 1.257 179 D CA 0.061 53.876 54.000 -0.309 0.000 1.027 179 D CB 0.335 41.012 40.800 -0.205 0.000 1.084 179 D HN 0.479 nan 8.370 nan 0.000 0.514 180 Y N 0.978 121.024 120.300 -0.423 0.000 2.632 180 Y HA 0.153 4.703 4.550 -0.000 0.000 0.301 180 Y C 1.213 176.912 175.900 -0.335 0.000 1.172 180 Y CA 0.222 57.943 58.100 -0.633 0.000 1.328 180 Y CB -0.278 37.243 38.460 -1.564 0.000 1.016 180 Y HN 0.258 nan 8.280 nan 0.000 0.529 181 E N 0.436 120.387 120.200 -0.414 0.000 2.472 181 E HA -0.026 4.324 4.350 -0.000 0.000 0.196 181 E C 0.244 176.734 176.600 -0.184 0.000 1.033 181 E CA -0.262 55.996 56.400 -0.236 0.000 0.886 181 E CB 0.073 29.602 29.700 -0.285 0.000 0.944 181 E HN 0.368 nan 8.360 nan 0.000 0.492 182 N N 1.921 120.519 118.700 -0.171 0.000 2.458 182 N HA -0.105 4.634 4.740 -0.000 0.000 0.258 182 N C 0.838 176.256 175.510 -0.152 0.000 1.219 182 N CA 0.299 53.278 53.050 -0.117 0.000 0.902 182 N CB 1.272 39.748 38.487 -0.018 0.000 1.076 182 N HN -0.056 nan 8.380 nan 0.000 0.455 183 E N 2.399 122.377 120.200 -0.370 0.000 2.160 183 E HA -0.173 4.177 4.350 -0.000 0.000 0.195 183 E C 0.390 176.881 176.600 -0.182 0.000 0.991 183 E CA 1.573 57.686 56.400 -0.478 0.000 0.810 183 E CB 0.044 29.072 29.700 -1.120 0.000 0.742 183 E HN 0.580 nan 8.360 nan 0.000 0.466 184 D N -1.375 119.055 120.400 0.050 0.000 2.347 184 D HA 0.063 4.703 4.640 -0.000 0.000 0.213 184 D C 1.153 177.529 176.300 0.126 0.000 0.985 184 D CA 0.387 54.504 54.000 0.195 0.000 0.879 184 D CB 0.324 41.333 40.800 0.349 0.000 0.919 184 D HN 0.257 nan 8.370 nan 0.000 0.526 185 L N -0.154 121.122 121.223 0.087 0.000 2.672 185 L HA 0.144 4.484 4.340 -0.000 0.000 0.236 185 L C 2.118 179.063 176.870 0.125 0.000 1.092 185 L CA 0.001 54.905 54.840 0.107 0.000 0.887 185 L CB 0.145 42.255 42.059 0.085 0.000 1.168 185 L HN -0.056 nan 8.230 nan 0.000 0.502 186 K N 0.220 120.662 120.400 0.070 0.000 2.057 186 K HA -0.215 4.105 4.320 -0.000 0.000 0.207 186 K C 1.447 178.133 176.600 0.145 0.000 1.049 186 K CA 2.009 58.354 56.287 0.097 0.000 0.931 186 K CB -0.227 32.289 32.500 0.027 0.000 0.714 186 K HN 0.007 nan 8.250 nan 0.000 0.440 187 D N 0.786 121.246 120.400 0.099 0.000 2.149 187 D HA -0.080 4.560 4.640 -0.000 0.000 0.201 187 D C 1.399 177.764 176.300 0.109 0.000 0.972 187 D CA 0.862 54.915 54.000 0.088 0.000 0.835 187 D CB -0.034 40.799 40.800 0.055 0.000 0.966 187 D HN 0.195 nan 8.370 nan 0.000 0.476 188 N N -0.555 118.223 118.700 0.131 0.000 2.422 188 N HA -0.004 4.736 4.740 -0.000 0.000 0.181 188 N C 0.341 175.946 175.510 0.159 0.000 1.080 188 N CA -0.124 53.000 53.050 0.124 0.000 0.893 188 N CB -0.137 38.421 38.487 0.119 0.000 0.973 188 N HN 0.182 nan 8.380 nan 0.000 0.456 192 E N 0.541 120.652 120.200 -0.148 0.000 2.110 192 E HA -0.108 4.242 4.350 -0.000 0.000 0.193 192 E C 1.622 178.257 176.600 0.059 0.000 0.988 192 E CA 1.392 57.777 56.400 -0.025 0.000 0.804 192 E CB -0.216 29.454 29.700 -0.050 0.000 0.745 192 E HN 0.539 nan 8.360 nan 0.000 0.458 193 G N -0.128 108.685 108.800 0.021 0.000 3.042 193 G HA2 0.053 4.012 3.960 -0.000 0.000 0.212 193 G HA3 0.053 4.012 3.960 -0.000 0.000 0.212 193 G C 0.090 175.194 174.900 0.339 0.000 1.166 193 G CA -0.190 44.991 45.100 0.134 0.000 0.767 193 G HN 0.031 nan 8.290 nan 0.000 0.546 194 S N -0.105 115.748 115.700 0.254 0.000 2.578 194 S HA 0.622 5.092 4.470 -0.000 0.000 0.283 194 S C -1.229 173.487 174.600 0.193 0.000 1.195 194 S CA -0.655 57.678 58.200 0.222 0.000 1.050 194 S CB 1.612 64.892 63.200 0.134 0.000 1.012 194 S HN 0.363 nan 8.310 nan 0.000 0.511 195 W N 1.961 123.092 121.300 -0.283 0.000 3.296 195 W HA 0.248 4.908 4.660 -0.000 0.000 0.314 195 W C -2.031 174.261 176.519 -0.378 0.000 1.238 195 W CA -0.505 56.473 57.345 -0.611 0.000 1.193 195 W CB 1.718 30.240 29.460 -1.565 0.000 1.383 195 W HN 0.535 nan 8.180 nan 0.000 0.545 196 D N 3.550 123.293 120.400 -1.096 0.000 2.454 196 D HA 0.226 4.866 4.640 -0.000 0.000 0.225 196 D C 0.317 176.257 176.300 -0.599 0.000 1.081 196 D CA -0.296 53.336 54.000 -0.614 0.000 0.864 196 D CB 0.393 40.898 40.800 -0.491 0.000 1.040 196 D HN 0.180 nan 8.370 nan 0.000 0.517 197 F N 1.882 121.810 119.950 -0.037 0.000 2.416 197 F HA 0.019 4.546 4.527 -0.000 0.000 0.296 197 F C 2.152 177.965 175.800 0.021 0.000 1.099 197 F CA 0.110 58.182 58.000 0.119 0.000 1.427 197 F CB 0.053 39.137 39.000 0.140 0.000 1.079 197 F HN 0.320 nan 8.300 nan 0.000 0.536 198 N N -0.087 118.681 118.700 0.114 0.000 2.142 198 N HA -0.138 4.602 4.740 -0.000 0.000 0.186 198 N C 0.876 176.385 175.510 -0.001 0.000 1.023 198 N CA 1.404 54.479 53.050 0.042 0.000 0.852 198 N CB -0.224 38.264 38.487 0.001 0.000 0.998 198 N HN 0.284 nan 8.380 nan 0.000 0.424 199 D N -0.032 120.330 120.400 -0.064 0.000 2.433 199 D HA 0.017 4.657 4.640 -0.000 0.000 0.211 199 D C -0.309 175.916 176.300 -0.126 0.000 1.114 199 D CA -0.116 53.833 54.000 -0.086 0.000 0.837 199 D CB -0.024 40.715 40.800 -0.101 0.000 0.984 199 D HN 0.063 nan 8.370 nan 0.000 0.505 200 N N 1.151 119.761 118.700 -0.149 0.000 2.708 200 N HA -0.188 4.552 4.740 -0.000 0.000 0.255 200 N C -1.302 174.026 175.510 -0.303 0.000 1.046 200 N CA 0.948 53.938 53.050 -0.101 0.000 0.715 200 N CB -1.131 37.393 38.487 0.062 0.000 0.895 200 N HN 0.135 nan 8.380 nan 0.000 0.545 201 T N -0.890 113.151 114.554 -0.854 0.000 2.792 201 T HA 0.392 4.741 4.350 -0.000 0.000 0.303 201 T C 0.839 174.562 174.700 -1.630 0.000 1.310 201 T CA -0.056 61.482 62.100 -0.936 0.000 1.007 201 T CB 1.327 69.930 68.868 -0.442 0.000 1.335 201 T HN 0.231 nan 8.240 nan 0.000 0.504 202 N N 0.952 119.027 118.700 -1.042 0.000 2.058 202 N HA 0.008 4.748 4.740 -0.000 0.000 0.191 202 N C 0.354 175.615 175.510 -0.414 0.000 1.037 202 N CA 1.303 53.965 53.050 -0.647 0.000 0.848 202 N CB -0.377 38.036 38.487 -0.123 0.000 1.021 202 N HN 0.362 nan 8.380 nan 0.000 0.422 203 L N 2.144 123.179 121.223 -0.313 0.000 2.313 203 L HA 0.303 4.643 4.340 -0.000 0.000 0.282 203 L C -1.890 174.930 176.870 -0.084 0.000 1.092 203 L CA -1.811 52.904 54.840 -0.209 0.000 0.831 203 L CB 0.787 42.655 42.059 -0.319 0.000 1.159 203 L HN 0.211 nan 8.230 nan 0.000 0.442 204 P HA 0.031 nan 4.420 nan 0.000 0.226 204 P C -0.017 177.361 177.300 0.130 0.000 1.758 204 P CA -0.339 62.801 63.100 0.067 0.000 0.896 204 P CB -0.039 31.744 31.700 0.138 0.000 1.784 205 K N 2.189 122.689 120.400 0.166 0.000 2.451 205 K HA 0.142 4.462 4.320 -0.000 0.000 0.280 205 K C -2.209 174.355 176.600 -0.060 0.000 1.020 205 K CA -1.764 54.531 56.287 0.013 0.000 1.008 205 K CB 0.112 32.610 32.500 -0.003 0.000 0.917 205 K HN 0.060 nan 8.250 nan 0.000 0.478 206 P HA 0.088 nan 4.420 nan 0.000 0.270 206 P C -0.569 176.688 177.300 -0.072 0.000 1.242 206 P CA 0.053 63.108 63.100 -0.075 0.000 0.768 206 P CB 0.878 32.531 31.700 -0.078 0.000 0.820 207 R N 2.136 122.605 120.500 -0.051 0.000 2.167 207 R HA 0.232 4.572 4.340 -0.000 0.000 0.201 207 R C 0.756 177.036 176.300 -0.032 0.000 1.024 207 R CA 0.084 56.157 56.100 -0.046 0.000 1.053 207 R CB 0.016 30.290 30.300 -0.043 0.000 0.987 207 R HN 0.374 nan 8.270 nan 0.000 0.493 208 L N 0.711 121.922 121.223 -0.021 0.000 2.439 208 L HA 0.129 4.469 4.340 -0.000 0.000 0.259 208 L C 1.716 178.590 176.870 0.006 0.000 1.129 208 L CA -0.231 54.604 54.840 -0.008 0.000 0.803 208 L CB 1.446 43.502 42.059 -0.004 0.000 1.161 208 L HN 0.115 nan 8.230 nan 0.000 0.462 209 S N -0.678 115.029 115.700 0.012 0.000 2.419 209 S HA -0.155 4.315 4.470 -0.000 0.000 0.233 209 S C 0.817 175.451 174.600 0.057 0.000 1.016 209 S CA 1.099 59.312 58.200 0.020 0.000 0.974 209 S CB -0.401 62.804 63.200 0.009 0.000 0.786 209 S HN 0.823 nan 8.310 nan 0.000 0.492 210 D N 0.191 120.641 120.400 0.083 0.000 2.525 210 D HA 0.179 4.819 4.640 -0.000 0.000 0.229 210 D C -0.691 175.739 176.300 0.217 0.000 1.202 210 D CA -0.465 53.649 54.000 0.190 0.000 0.828 210 D CB -0.466 40.433 40.800 0.165 0.000 1.008 210 D HN 0.097 nan 8.370 nan 0.000 0.493 211 D N 0.718 121.180 120.400 0.103 0.000 2.994 211 D HA 0.014 4.653 4.640 -0.000 0.000 0.240 211 D C 0.654 176.964 176.300 0.017 0.000 1.195 211 D CA -0.213 53.795 54.000 0.014 0.000 0.957 211 D CB -0.404 40.387 40.800 -0.015 0.000 1.105 211 D HN 0.516 nan 8.370 nan 0.000 0.477 212 Y N -2.194 118.120 120.300 0.024 0.000 2.476 212 Y HA 0.121 4.670 4.550 -0.000 0.000 0.283 212 Y C 2.076 177.982 175.900 0.010 0.000 1.109 212 Y CA 0.496 58.598 58.100 0.003 0.000 1.246 212 Y CB -0.280 38.180 38.460 -0.001 0.000 1.068 212 Y HN 0.173 nan 8.280 nan 0.000 0.552 213 H N 0.907 119.384 119.070 -0.988 0.000 2.326 213 H HA -0.045 4.511 4.556 -0.000 0.000 0.301 213 H C 2.250 177.416 175.328 -0.270 0.000 1.081 213 H CA 1.718 57.297 56.048 -0.783 0.000 1.334 213 H CB -0.335 28.946 29.762 -0.802 0.000 1.385 213 H HN 0.573 nan 8.280 nan 0.000 0.504 214 G N -0.666 108.092 108.800 -0.069 0.000 2.422 214 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.218 214 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.218 214 G C 1.758 176.642 174.900 -0.027 0.000 1.146 214 G CA 1.203 46.302 45.100 -0.001 0.000 0.769 214 G HN 0.375 nan 8.290 nan 0.000 0.547 215 T N 0.580 115.101 114.554 -0.055 0.000 2.777 215 T HA -0.053 4.297 4.350 -0.000 0.000 0.266 215 T C 2.492 177.146 174.700 -0.078 0.000 1.040 215 T CA 0.986 63.062 62.100 -0.041 0.000 1.141 215 T CB -0.114 68.731 68.868 -0.038 0.000 0.868 215 T HN 0.259 nan 8.240 nan 0.000 0.444 216 R N 0.213 120.602 120.500 -0.184 0.000 2.081 216 R HA -0.048 4.292 4.340 -0.000 0.000 0.235 216 R C 2.750 178.886 176.300 -0.273 0.000 1.131 216 R CA 1.418 57.295 56.100 -0.372 0.000 0.960 216 R CB -0.752 29.054 30.300 -0.823 0.000 0.856 216 R HN 0.381 nan 8.270 nan 0.000 0.436 217 C N 0.013 119.217 119.300 -0.160 0.000 2.446 217 C HA 0.011 4.471 4.460 -0.000 0.000 0.277 217 C C 2.938 177.959 174.990 0.052 0.000 1.275 217 C CA 0.594 59.626 59.018 0.023 0.000 1.727 217 C CB -0.899 26.867 27.740 0.043 0.000 2.010 217 C HN 0.588 nan 8.230 nan 0.000 0.486 218 A N 1.012 123.859 122.820 0.046 0.000 1.902 218 A HA 0.020 4.340 4.320 -0.000 0.000 0.217 218 A C 2.410 180.050 177.584 0.093 0.000 1.181 218 A CA 2.120 54.207 52.037 0.083 0.000 0.623 218 A CB -1.267 17.791 19.000 0.097 0.000 0.818 218 A HN 0.552 nan 8.150 nan 0.000 0.443 219 G N -0.548 108.297 108.800 0.075 0.000 2.448 219 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.219 219 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.219 219 G C 1.362 176.337 174.900 0.125 0.000 1.127 219 G CA 0.931 46.090 45.100 0.099 0.000 0.766 219 G HN 0.686 nan 8.290 nan 0.000 0.552 220 E N -0.065 120.201 120.200 0.111 0.000 2.110 220 E HA -0.079 4.271 4.350 -0.000 0.000 0.193 220 E C 2.401 179.096 176.600 0.157 0.000 0.988 220 E CA 0.669 57.146 56.400 0.129 0.000 0.804 220 E CB -0.091 29.657 29.700 0.080 0.000 0.745 220 E HN 0.521 nan 8.360 nan 0.000 0.458 221 I N 0.155 120.804 120.570 0.132 0.000 2.235 221 I HA -0.112 4.057 4.170 -0.000 0.000 0.241 221 I C 1.625 177.831 176.117 0.149 0.000 1.085 221 I CA 1.020 62.398 61.300 0.130 0.000 1.378 221 I CB 0.180 38.243 38.000 0.105 0.000 1.076 221 I HN -0.021 nan 8.210 nan 0.000 0.415 222 A N 0.354 123.261 122.820 0.145 0.000 2.573 222 A HA 0.671 4.991 4.320 -0.000 0.000 0.269 222 A C 0.402 178.078 177.584 0.154 0.000 0.901 222 A CA -0.303 51.822 52.037 0.147 0.000 1.066 222 A CB -0.309 18.763 19.000 0.119 0.000 1.221 222 A HN 0.158 nan 8.150 nan 0.000 0.483 223 A N 0.796 123.713 122.820 0.161 0.000 2.546 223 A HA 0.395 4.715 4.320 -0.000 0.000 0.243 223 A C 0.532 178.195 177.584 0.132 0.000 1.063 223 A CA 0.186 52.313 52.037 0.150 0.000 0.757 223 A CB -0.090 19.001 19.000 0.151 0.000 0.991 223 A HN 0.472 nan 8.150 nan 0.000 0.503 224 K N 1.763 122.229 120.400 0.110 0.000 2.489 224 K HA 0.045 4.365 4.320 -0.000 0.000 0.278 224 K C 0.345 176.924 176.600 -0.036 0.000 1.000 224 K CA 0.551 56.870 56.287 0.054 0.000 1.012 224 K CB 0.365 32.897 32.500 0.053 0.000 0.903 224 K HN 0.649 nan 8.250 nan 0.000 0.485 225 K N 2.742 123.029 120.400 -0.189 0.000 2.172 225 K HA 0.318 4.638 4.320 -0.000 0.000 0.276 225 K C 0.204 176.637 176.600 -0.278 0.000 1.013 225 K CA 0.397 56.443 56.287 -0.401 0.000 0.913 225 K CB 0.693 32.593 32.500 -1.001 0.000 1.055 225 K HN 0.788 nan 8.250 nan 0.000 0.461 226 G N 3.019 111.681 108.800 -0.231 0.000 2.141 226 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.242 226 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.242 226 G C 0.026 174.880 174.900 -0.077 0.000 0.982 226 G CA 0.438 45.441 45.100 -0.161 0.000 0.662 226 G HN 0.818 nan 8.290 nan 0.000 0.527 227 N N 0.425 119.106 118.700 -0.032 0.000 2.238 227 N HA 0.155 4.895 4.740 -0.000 0.000 0.222 227 N C 0.714 176.265 175.510 0.068 0.000 1.133 227 N CA -0.026 53.032 53.050 0.014 0.000 0.854 227 N CB -0.247 38.255 38.487 0.024 0.000 1.041 227 N HN 0.375 nan 8.380 nan 0.000 0.510 228 N N -0.518 118.213 118.700 0.052 0.000 2.693 228 N HA -0.244 4.496 4.740 -0.000 0.000 0.249 228 N C -1.641 173.965 175.510 0.160 0.000 1.119 228 N CA 0.476 53.570 53.050 0.073 0.000 0.717 228 N CB -1.724 36.795 38.487 0.053 0.000 1.071 228 N HN 0.536 nan 8.380 nan 0.000 0.555 229 F N -0.082 119.862 119.950 -0.010 0.000 2.539 229 F HA 0.511 5.038 4.527 -0.000 0.000 0.318 229 F C 1.253 177.063 175.800 0.017 0.000 1.135 229 F CA 0.236 58.237 58.000 0.002 0.000 0.915 229 F CB 0.609 39.607 39.000 -0.003 0.000 1.176 229 F HN 0.295 nan 8.300 nan 0.000 0.440 230 c N 1.881 120.115 118.600 -0.610 0.000 0.169 230 c HA -0.128 4.442 4.570 -0.000 0.000 0.017 230 c C 1.424 175.453 174.090 -0.102 0.000 0.171 230 c CA 0.803 56.887 56.329 -0.408 0.000 0.499 230 c CB -1.530 40.668 42.510 -0.521 0.000 3.212 230 c HN 1.228 nan 8.230 nan 0.000 1.118 231 G N -1.215 107.578 108.800 -0.011 0.000 3.135 231 G HA2 0.630 4.589 3.960 -0.000 0.000 0.159 231 G HA3 0.630 4.589 3.960 -0.000 0.000 0.159 231 G C -1.203 173.765 174.900 0.113 0.000 1.244 231 G CA 0.416 45.575 45.100 0.099 0.000 0.965 231 G HN 1.074 nan 8.290 nan 0.000 0.599 232 V N -0.105 119.919 119.914 0.184 0.000 2.709 232 V HA 0.673 4.793 4.120 -0.000 0.000 0.308 232 V C 0.750 177.000 176.094 0.261 0.000 1.062 232 V CA -0.342 62.044 62.300 0.144 0.000 0.901 232 V CB 1.540 33.381 31.823 0.031 0.000 1.003 232 V HN 1.012 nan 8.190 nan 0.000 0.425 233 G N 1.777 110.728 108.800 0.251 0.000 2.539 233 G HA2 0.400 4.360 3.960 -0.000 0.000 0.258 233 G HA3 0.400 4.360 3.960 -0.000 0.000 0.258 233 G C 1.030 176.192 174.900 0.437 0.000 1.202 233 G CA -0.156 45.123 45.100 0.300 0.000 0.851 233 G HN 0.555 nan 8.290 nan 0.000 0.556 234 V N 1.498 121.650 119.914 0.396 0.000 2.295 234 V HA -0.005 4.115 4.120 -0.000 0.000 0.246 234 V C 2.023 178.363 176.094 0.411 0.000 1.049 234 V CA 2.126 64.691 62.300 0.441 0.000 1.024 234 V CB -0.671 31.295 31.823 0.239 0.000 0.648 234 V HN 0.802 nan 8.190 nan 0.000 0.447 235 G N -0.984 107.938 108.800 0.205 0.000 3.818 235 G HA2 0.338 4.298 3.960 -0.000 0.000 0.338 235 G HA3 0.338 4.298 3.960 -0.000 0.000 0.338 235 G C 0.335 175.225 174.900 -0.016 0.000 1.318 235 G CA -0.285 44.840 45.100 0.042 0.000 1.242 235 G HN 0.597 nan 8.290 nan 0.000 0.493 236 Y N -0.738 119.575 120.300 0.022 0.000 2.639 236 Y HA 0.061 4.611 4.550 -0.000 0.000 0.297 236 Y C 1.520 177.394 175.900 -0.043 0.000 1.151 236 Y CA 0.676 58.745 58.100 -0.052 0.000 1.335 236 Y CB -0.142 38.198 38.460 -0.201 0.000 0.994 236 Y HN 0.413 nan 8.280 nan 0.000 0.548 237 N N 0.287 118.942 118.700 -0.075 0.000 2.205 237 N HA 0.328 5.068 4.740 -0.000 0.000 0.201 237 N C 0.280 175.791 175.510 0.001 0.000 1.128 237 N CA -0.022 53.028 53.050 -0.000 0.000 0.867 237 N CB 0.330 38.792 38.487 -0.042 0.000 0.996 237 N HN 0.334 nan 8.380 nan 0.000 0.503 238 A N 1.011 123.831 122.820 0.001 0.000 2.366 238 A HA 0.244 4.564 4.320 -0.000 0.000 0.249 238 A C 0.200 177.805 177.584 0.034 0.000 1.084 238 A CA 0.077 52.125 52.037 0.018 0.000 0.794 238 A CB 0.480 19.497 19.000 0.028 0.000 1.034 238 A HN -0.023 nan 8.150 nan 0.000 0.491 239 K N 0.565 120.976 120.400 0.020 0.000 2.098 239 K HA 0.534 4.853 4.320 -0.000 0.000 0.261 239 K C -0.427 176.186 176.600 0.023 0.000 0.987 239 K CA -0.142 56.155 56.287 0.016 0.000 0.916 239 K CB 1.095 33.583 32.500 -0.020 0.000 1.039 239 K HN 0.654 nan 8.250 nan 0.000 0.455 240 I N -1.477 119.121 120.570 0.047 0.000 2.466 240 I HA 0.384 4.554 4.170 -0.000 0.000 0.289 240 I C -0.238 175.917 176.117 0.063 0.000 1.026 240 I CA -0.683 60.664 61.300 0.079 0.000 1.078 240 I CB 2.138 40.226 38.000 0.146 0.000 1.249 240 I HN 0.118 nan 8.210 nan 0.000 0.429 241 S N 3.332 119.055 115.700 0.037 0.000 2.617 241 S HA 0.786 5.256 4.470 -0.000 0.000 0.283 241 S C 0.163 174.883 174.600 0.201 0.000 1.189 241 S CA -0.623 57.605 58.200 0.046 0.000 1.036 241 S CB 1.754 64.968 63.200 0.023 0.000 1.014 241 S HN 0.939 nan 8.310 nan 0.000 0.522 242 G N 1.097 110.077 108.800 0.300 0.000 2.487 242 G HA2 0.653 4.613 3.960 -0.000 0.000 0.314 242 G HA3 0.653 4.613 3.960 -0.000 0.000 0.314 242 G C -0.963 174.083 174.900 0.243 0.000 1.267 242 G CA -0.529 44.742 45.100 0.287 0.000 0.937 242 G HN 0.646 nan 8.290 nan 0.000 0.481 243 I N 2.181 122.899 120.570 0.245 0.000 2.390 243 I HA 0.346 4.516 4.170 -0.000 0.000 0.283 243 I C 0.329 176.581 176.117 0.225 0.000 1.016 243 I CA -0.675 60.798 61.300 0.289 0.000 1.151 243 I CB 1.674 39.923 38.000 0.415 0.000 1.293 243 I HN 0.329 nan 8.210 nan 0.000 0.458 244 R N 7.334 127.944 120.500 0.182 0.000 2.198 244 R HA 0.451 4.791 4.340 -0.000 0.000 0.339 244 R C 0.504 176.873 176.300 0.116 0.000 1.020 244 R CA -0.075 56.080 56.100 0.091 0.000 0.864 244 R CB 0.580 30.893 30.300 0.023 0.000 1.105 244 R HN 0.847 nan 8.270 nan 0.000 0.463 245 I N 1.183 121.745 120.570 -0.013 0.000 4.730 245 I HA 0.103 4.273 4.170 -0.000 0.000 0.332 245 I C 0.425 176.429 176.117 -0.188 0.000 1.299 245 I CA -0.220 61.024 61.300 -0.093 0.000 1.294 245 I CB 0.433 38.291 38.000 -0.236 0.000 1.317 245 I HN 0.458 nan 8.210 nan 0.000 0.457 246 L N 0.880 121.974 121.223 -0.217 0.000 2.558 246 L HA 0.226 4.566 4.340 -0.000 0.000 0.225 246 L C 1.933 178.720 176.870 -0.139 0.000 1.128 246 L CA 0.367 55.066 54.840 -0.234 0.000 0.868 246 L CB -0.142 41.749 42.059 -0.281 0.000 1.006 246 L HN 0.186 nan 8.230 nan 0.000 0.454 247 S N -0.318 115.325 115.700 -0.095 0.000 2.496 247 S HA 0.161 4.631 4.470 -0.000 0.000 0.224 247 S C 0.892 175.465 174.600 -0.046 0.000 0.996 247 S CA 0.627 58.790 58.200 -0.062 0.000 0.927 247 S CB 0.296 63.468 63.200 -0.047 0.000 0.774 247 S HN 0.542 nan 8.310 nan 0.000 0.524 248 G N 0.325 109.097 108.800 -0.047 0.000 2.682 248 G HA2 0.468 4.428 3.960 -0.000 0.000 0.290 248 G HA3 0.468 4.428 3.960 -0.000 0.000 0.290 248 G C -2.206 172.673 174.900 -0.035 0.000 1.425 248 G CA -0.793 44.289 45.100 -0.031 0.000 0.807 248 G HN -0.062 nan 8.290 nan 0.000 0.482 249 D N 0.502 120.890 120.400 -0.020 0.000 2.425 249 D HA 0.378 5.018 4.640 -0.000 0.000 0.247 249 D C 0.649 176.945 176.300 -0.007 0.000 1.147 249 D CA 0.602 54.592 54.000 -0.016 0.000 0.879 249 D CB 1.244 42.042 40.800 -0.003 0.000 1.179 249 D HN 0.561 nan 8.370 nan 0.000 0.456 250 I N -2.112 118.448 120.570 -0.016 0.000 3.108 250 I HA 0.530 4.700 4.170 -0.000 0.000 0.312 250 I C 0.453 176.569 176.117 -0.001 0.000 1.095 250 I CA -1.050 60.249 61.300 -0.001 0.000 1.000 250 I CB 1.920 39.908 38.000 -0.020 0.000 1.229 250 I HN 0.188 nan 8.210 nan 0.000 0.454 251 T N -1.235 113.326 114.554 0.012 0.000 2.828 251 T HA 0.195 4.545 4.350 -0.000 0.000 0.290 251 T C 1.288 175.986 174.700 -0.004 0.000 1.019 251 T CA 0.151 62.258 62.100 0.011 0.000 1.031 251 T CB 1.068 69.950 68.868 0.024 0.000 1.001 251 T HN 0.895 nan 8.240 nan 0.000 0.531 252 T N -0.688 113.870 114.554 0.006 0.000 2.788 252 T HA -0.152 4.198 4.350 -0.000 0.000 0.268 252 T C 1.619 176.311 174.700 -0.013 0.000 1.044 252 T CA 1.182 63.285 62.100 0.006 0.000 1.139 252 T CB -0.488 68.389 68.868 0.016 0.000 0.867 252 T HN 0.793 nan 8.240 nan 0.000 0.454 253 E N 1.958 122.153 120.200 -0.008 0.000 2.110 253 E HA -0.164 4.186 4.350 -0.000 0.000 0.193 253 E C 1.662 178.242 176.600 -0.033 0.000 0.988 253 E CA 1.210 57.604 56.400 -0.010 0.000 0.804 253 E CB -0.594 29.113 29.700 0.011 0.000 0.745 253 E HN 0.457 nan 8.360 nan 0.000 0.458 254 D N 1.266 121.641 120.400 -0.041 0.000 2.117 254 D HA -0.138 4.502 4.640 -0.000 0.000 0.198 254 D C 1.913 177.985 176.300 -0.380 0.000 0.982 254 D CA 1.018 54.931 54.000 -0.144 0.000 0.828 254 D CB -0.174 40.620 40.800 -0.010 0.000 0.967 254 D HN 0.386 nan 8.370 nan 0.000 0.464 255 E N 0.508 120.582 120.200 -0.211 0.000 2.051 255 E HA -0.170 4.180 4.350 -0.000 0.000 0.192 255 E C 1.985 178.515 176.600 -0.117 0.000 0.991 255 E CA 1.024 57.320 56.400 -0.175 0.000 0.799 255 E CB 0.039 29.713 29.700 -0.042 0.000 0.748 255 E HN 0.141 nan 8.360 nan 0.000 0.449 256 A N 1.389 124.164 122.820 -0.075 0.000 1.883 256 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 256 A C 2.435 179.975 177.584 -0.074 0.000 1.186 256 A CA 2.076 54.079 52.037 -0.057 0.000 0.624 256 A CB -0.907 18.065 19.000 -0.047 0.000 0.822 256 A HN 0.424 nan 8.150 nan 0.000 0.444 257 A N 0.291 123.049 122.820 -0.103 0.000 1.940 257 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 257 A C 2.523 180.085 177.584 -0.037 0.000 1.176 257 A CA 2.555 54.571 52.037 -0.036 0.000 0.631 257 A CB -1.024 18.002 19.000 0.043 0.000 0.814 257 A HN 1.093 nan 8.150 nan 0.000 0.446 258 S N -0.181 115.286 115.700 -0.388 0.000 2.402 258 S HA -0.039 4.431 4.470 -0.000 0.000 0.229 258 S C 1.723 176.403 174.600 0.132 0.000 1.021 258 S CA 1.376 59.419 58.200 -0.261 0.000 0.974 258 S CB -0.620 62.258 63.200 -0.536 0.000 0.800 258 S HN 0.441 nan 8.310 nan 0.000 0.484 259 L N 1.046 122.297 121.223 0.046 0.000 2.478 259 L HA 0.293 4.633 4.340 -0.000 0.000 0.223 259 L C 1.697 178.437 176.870 -0.217 0.000 1.140 259 L CA 0.676 55.515 54.840 -0.002 0.000 0.842 259 L CB -0.354 41.716 42.059 0.018 0.000 0.953 259 L HN 0.549 nan 8.230 nan 0.000 0.452 260 I N -5.963 114.591 120.570 -0.026 0.000 4.050 260 I HA 0.141 4.311 4.170 -0.000 0.000 0.327 260 I C 0.334 176.569 176.117 0.196 0.000 1.473 260 I CA -0.733 60.579 61.300 0.020 0.000 1.124 260 I CB -0.145 37.857 38.000 0.004 0.000 1.129 260 I HN -0.151 nan 8.210 nan 0.000 0.428 261 Y N 3.449 123.902 120.300 0.256 0.000 2.610 261 Y HA 0.389 4.939 4.550 -0.000 0.000 0.332 261 Y C 1.530 177.611 175.900 0.301 0.000 1.201 261 Y CA 1.033 59.312 58.100 0.299 0.000 1.465 261 Y CB 0.681 39.406 38.460 0.442 0.000 1.283 261 Y HN 0.437 nan 8.280 nan 0.000 0.563 262 G N 5.767 114.171 108.800 -0.660 0.000 2.338 262 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.296 262 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.296 262 G C 0.550 175.420 174.900 -0.050 0.000 1.040 262 G CA 0.439 45.323 45.100 -0.359 0.000 1.004 262 G HN 0.783 nan 8.290 nan 0.000 0.509 263 L N 0.579 121.799 121.223 -0.005 0.000 2.265 263 L HA 0.041 4.380 4.340 -0.000 0.000 0.215 263 L C 2.478 179.365 176.870 0.030 0.000 1.117 263 L CA 2.530 57.425 54.840 0.091 0.000 0.782 263 L CB -0.102 41.998 42.059 0.069 0.000 0.914 263 L HN 0.552 nan 8.230 nan 0.000 0.441 264 D N -1.544 118.841 120.400 -0.026 0.000 2.317 264 D HA -0.110 4.529 4.640 -0.000 0.000 0.211 264 D C 1.629 177.913 176.300 -0.026 0.000 0.966 264 D CA 1.417 55.401 54.000 -0.026 0.000 0.876 264 D CB -0.255 40.519 40.800 -0.043 0.000 0.927 264 D HN 0.378 nan 8.370 nan 0.000 0.519 265 V N -3.050 116.842 119.914 -0.036 0.000 3.250 265 V HA 0.245 4.365 4.120 -0.000 0.000 0.240 265 V C 0.320 176.377 176.094 -0.062 0.000 1.275 265 V CA -0.423 61.851 62.300 -0.044 0.000 1.206 265 V CB -0.431 31.362 31.823 -0.051 0.000 0.976 265 V HN -0.152 nan 8.190 nan 0.000 0.467 266 N N 2.961 121.607 118.700 -0.090 0.000 2.442 266 N HA 0.186 4.926 4.740 -0.000 0.000 0.265 266 N C 0.022 175.418 175.510 -0.189 0.000 1.138 266 N CA 0.301 53.221 53.050 -0.217 0.000 0.956 266 N CB 1.454 39.663 38.487 -0.463 0.000 1.067 266 N HN 0.462 nan 8.380 nan 0.000 0.474 267 D N 1.509 121.816 120.400 -0.155 0.000 2.216 267 D HA 0.151 4.791 4.640 -0.000 0.000 0.208 267 D C 0.442 176.683 176.300 -0.098 0.000 0.960 267 D CA 0.922 54.877 54.000 -0.076 0.000 0.861 267 D CB 0.933 41.716 40.800 -0.028 0.000 0.985 267 D HN 0.453 nan 8.370 nan 0.000 0.493 268 I N -0.075 120.390 120.570 -0.175 0.000 2.545 268 I HA 0.220 4.390 4.170 -0.000 0.000 0.292 268 I C -1.268 174.697 176.117 -0.253 0.000 1.040 268 I CA -0.853 60.383 61.300 -0.108 0.000 1.068 268 I CB 2.231 40.246 38.000 0.025 0.000 1.251 268 I HN -0.246 nan 8.210 nan 0.000 0.424 269 Y N 3.630 123.883 120.300 -0.079 0.000 2.345 269 Y HA 0.384 4.934 4.550 -0.000 0.000 0.331 269 Y C 0.347 176.283 175.900 0.061 0.000 0.959 269 Y CA -0.507 57.607 58.100 0.022 0.000 1.204 269 Y CB 2.015 40.506 38.460 0.051 0.000 1.135 269 Y HN 0.417 nan 8.280 nan 0.000 0.477 270 S N 3.416 119.217 115.700 0.168 0.000 2.410 270 S HA 0.449 4.918 4.470 -0.000 0.000 0.304 270 S C -0.932 173.684 174.600 0.026 0.000 1.095 270 S CA -0.453 57.800 58.200 0.088 0.000 1.089 270 S CB -0.256 63.002 63.200 0.098 0.000 0.968 270 S HN 0.746 nan 8.310 nan 0.000 0.480 271 C N 4.760 123.890 119.300 -0.284 0.000 2.492 271 C HA 0.404 4.864 4.460 -0.000 0.000 0.284 271 C C 0.809 175.377 174.990 -0.704 0.000 1.082 271 C CA -0.861 57.750 59.018 -0.677 0.000 1.555 271 C CB -0.488 26.142 27.740 -1.849 0.000 1.798 271 C HN 0.808 nan 8.230 nan 0.000 0.413 272 S N 3.935 119.580 115.700 -0.091 0.000 3.812 272 S HA 0.305 4.775 4.470 -0.000 0.000 0.195 272 S C -0.200 174.540 174.600 0.235 0.000 1.460 272 S CA -0.375 57.880 58.200 0.092 0.000 1.052 272 S CB -0.336 63.023 63.200 0.265 0.000 1.385 272 S HN 0.885 nan 8.310 nan 0.000 0.490 273 W N -0.830 120.476 121.300 0.009 0.000 3.005 273 W HA 0.707 5.367 4.660 -0.000 0.000 0.343 273 W C -0.263 176.283 176.519 0.045 0.000 1.243 273 W CA -1.048 56.284 57.345 -0.022 0.000 1.186 273 W CB 0.608 30.010 29.460 -0.096 0.000 1.453 273 W HN 0.312 nan 8.180 nan 0.000 0.575 274 G N 0.514 109.491 108.800 0.295 0.000 2.321 274 G HA2 0.484 4.444 3.960 -0.000 0.000 0.296 274 G HA3 0.484 4.444 3.960 -0.000 0.000 0.296 274 G C -3.276 171.692 174.900 0.113 0.000 1.287 274 G CA -0.980 44.178 45.100 0.096 0.000 0.846 274 G HN 0.294 nan 8.290 nan 0.000 0.508 275 P HA 0.484 nan 4.420 nan 0.000 0.270 275 P C 0.335 177.608 177.300 -0.046 0.000 1.223 275 P CA 0.309 63.453 63.100 0.074 0.000 0.785 275 P CB 0.499 32.306 31.700 0.179 0.000 0.923 276 A N 1.736 124.396 122.820 -0.266 0.000 2.567 276 A HA -0.012 4.308 4.320 -0.000 0.000 0.240 276 A C 0.451 177.923 177.584 -0.185 0.000 1.053 276 A CA 0.323 52.166 52.037 -0.323 0.000 0.755 276 A CB -0.451 18.167 19.000 -0.638 0.000 0.978 276 A HN 0.479 nan 8.150 nan 0.000 0.507 277 D N 1.831 122.196 120.400 -0.058 0.000 2.881 277 D HA 0.054 4.693 4.640 -0.000 0.000 0.240 277 D C 0.396 176.709 176.300 0.022 0.000 1.249 277 D CA 0.252 54.260 54.000 0.013 0.000 0.839 277 D CB 0.325 41.152 40.800 0.045 0.000 1.042 277 D HN 0.713 nan 8.370 nan 0.000 0.475 278 D N -0.859 119.556 120.400 0.026 0.000 2.340 278 D HA 0.012 4.651 4.640 -0.000 0.000 0.220 278 D C 1.535 177.867 176.300 0.052 0.000 1.039 278 D CA 0.265 54.299 54.000 0.056 0.000 0.866 278 D CB -0.093 40.766 40.800 0.097 0.000 0.913 278 D HN 0.185 nan 8.370 nan 0.000 0.523 279 G N 0.806 109.630 108.800 0.041 0.000 2.143 279 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.248 279 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.248 279 G C 1.027 175.905 174.900 -0.037 0.000 0.991 279 G CA 0.400 45.490 45.100 -0.018 0.000 0.689 279 G HN 0.489 nan 8.290 nan 0.000 0.522 280 R N -1.385 119.137 120.500 0.036 0.000 2.513 280 R HA 0.185 4.525 4.340 -0.000 0.000 0.245 280 R C 0.270 176.541 176.300 -0.048 0.000 0.908 280 R CA -0.266 55.822 56.100 -0.019 0.000 1.023 280 R CB 0.444 30.732 30.300 -0.019 0.000 1.338 280 R HN 0.493 nan 8.270 nan 0.000 0.575 281 H N 0.563 119.605 119.070 -0.045 0.000 2.652 281 H HA 0.234 4.790 4.556 -0.000 0.000 0.349 281 H C -0.871 174.426 175.328 -0.051 0.000 1.099 281 H CA -0.032 55.997 56.048 -0.032 0.000 1.417 281 H CB 1.073 30.846 29.762 0.017 0.000 1.457 281 H HN -0.123 nan 8.280 nan 0.000 0.568 282 L N 3.412 124.594 121.223 -0.068 0.000 2.353 282 L HA 0.362 4.702 4.340 -0.000 0.000 0.270 282 L C -1.110 175.629 176.870 -0.218 0.000 1.003 282 L CA -0.084 54.576 54.840 -0.300 0.000 0.862 282 L CB 0.729 42.477 42.059 -0.519 0.000 1.221 282 L HN 0.721 nan 8.230 nan 0.000 0.430 283 Q N 2.868 122.646 119.800 -0.036 0.000 2.352 283 Q HA 0.746 5.086 4.340 -0.000 0.000 0.270 283 Q C -1.362 174.890 176.000 0.420 0.000 1.006 283 Q CA -0.521 55.419 55.803 0.229 0.000 0.880 283 Q CB 2.236 31.134 28.738 0.268 0.000 1.392 283 Q HN 0.782 nan 8.270 nan 0.000 0.401 284 G N 2.082 111.093 108.800 0.351 0.000 2.754 284 G HA2 0.692 4.652 3.960 -0.000 0.000 0.291 284 G HA3 0.692 4.652 3.960 -0.000 0.000 0.291 284 G C -2.913 171.883 174.900 -0.174 0.000 1.411 284 G CA -1.074 44.060 45.100 0.057 0.000 0.813 284 G HN 0.489 nan 8.290 nan 0.000 0.496 285 P HA 0.198 nan 4.420 nan 0.000 0.269 285 P C 0.604 177.803 177.300 -0.169 0.000 1.209 285 P CA -0.025 62.809 63.100 -0.444 0.000 0.776 285 P CB 1.039 32.360 31.700 -0.632 0.000 0.876 286 S N 1.003 116.672 115.700 -0.051 0.000 2.580 286 S HA 0.014 4.484 4.470 -0.000 0.000 0.266 286 S C 0.920 175.472 174.600 -0.080 0.000 1.354 286 S CA -0.195 57.982 58.200 -0.038 0.000 1.008 286 S CB 0.108 63.309 63.200 -0.000 0.000 0.898 286 S HN 0.360 nan 8.310 nan 0.000 0.555 287 D N 0.288 120.646 120.400 -0.069 0.000 2.133 287 D HA -0.104 4.536 4.640 -0.000 0.000 0.195 287 D C 1.707 177.958 176.300 -0.081 0.000 0.997 287 D CA 0.902 54.852 54.000 -0.082 0.000 0.840 287 D CB -0.427 40.335 40.800 -0.064 0.000 0.947 287 D HN 0.412 nan 8.370 nan 0.000 0.452 288 L N 0.411 121.599 121.223 -0.059 0.000 2.046 288 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 288 L C 2.273 179.101 176.870 -0.069 0.000 1.077 288 L CA 1.217 56.025 54.840 -0.055 0.000 0.747 288 L CB -0.416 41.623 42.059 -0.033 0.000 0.896 288 L HN -0.087 nan 8.230 nan 0.000 0.432 289 V N -0.873 119.002 119.914 -0.065 0.000 2.453 289 V HA -0.242 3.878 4.120 -0.000 0.000 0.247 289 V C 2.474 178.482 176.094 -0.142 0.000 1.048 289 V CA 1.463 63.722 62.300 -0.069 0.000 1.049 289 V CB -0.573 31.250 31.823 0.000 0.000 0.672 289 V HN 0.423 nan 8.190 nan 0.000 0.457 290 K N 0.200 120.500 120.400 -0.165 0.000 2.103 290 K HA -0.215 4.105 4.320 -0.000 0.000 0.207 290 K C 2.230 178.702 176.600 -0.213 0.000 1.048 290 K CA 1.523 57.690 56.287 -0.201 0.000 0.930 290 K CB -0.193 32.198 32.500 -0.182 0.000 0.716 290 K HN 0.404 nan 8.250 nan 0.000 0.444 291 K N 0.373 120.670 120.400 -0.170 0.000 2.097 291 K HA -0.078 4.242 4.320 -0.000 0.000 0.205 291 K C 2.147 178.631 176.600 -0.193 0.000 1.050 291 K CA 1.099 57.285 56.287 -0.168 0.000 0.938 291 K CB -0.096 32.336 32.500 -0.114 0.000 0.718 291 K HN 0.123 nan 8.250 nan 0.000 0.442 292 A N 1.356 124.073 122.820 -0.171 0.000 1.908 292 A HA -0.165 4.154 4.320 -0.000 0.000 0.218 292 A C 2.100 179.530 177.584 -0.257 0.000 1.181 292 A CA 1.360 53.296 52.037 -0.167 0.000 0.627 292 A CB -0.711 18.215 19.000 -0.123 0.000 0.818 292 A HN 0.170 nan 8.150 nan 0.000 0.445 293 L N -0.584 120.418 121.223 -0.368 0.000 2.046 293 L HA -0.171 4.168 4.340 -0.000 0.000 0.208 293 L C 2.530 178.969 176.870 -0.718 0.000 1.077 293 L CA 1.081 55.573 54.840 -0.581 0.000 0.747 293 L CB -0.571 41.145 42.059 -0.571 0.000 0.896 293 L HN 0.256 nan 8.230 nan 0.000 0.432 294 V N 0.106 119.591 119.914 -0.714 0.000 2.343 294 V HA -0.323 3.797 4.120 -0.000 0.000 0.247 294 V C 2.563 178.392 176.094 -0.440 0.000 1.051 294 V CA 2.042 63.890 62.300 -0.753 0.000 1.036 294 V CB -0.531 31.006 31.823 -0.475 0.000 0.654 294 V HN 0.446 nan 8.190 nan 0.000 0.451 295 K N 0.307 120.538 120.400 -0.283 0.000 2.057 295 K HA -0.151 4.169 4.320 -0.000 0.000 0.207 295 K C 2.154 178.677 176.600 -0.128 0.000 1.049 295 K CA 1.716 57.906 56.287 -0.161 0.000 0.931 295 K CB -0.657 31.776 32.500 -0.112 0.000 0.714 295 K HN 0.472 nan 8.250 nan 0.000 0.440 296 G N 0.520 109.248 108.800 -0.121 0.000 2.421 296 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.216 296 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.216 296 G C 1.436 176.310 174.900 -0.044 0.000 1.171 296 G CA 1.179 46.289 45.100 0.018 0.000 0.775 296 G HN 0.339 nan 8.290 nan 0.000 0.543 297 V N -1.840 117.929 119.914 -0.242 0.000 3.041 297 V HA 0.064 4.184 4.120 -0.000 0.000 0.260 297 V C 2.332 178.277 176.094 -0.248 0.000 1.105 297 V CA 2.230 64.234 62.300 -0.494 0.000 1.125 297 V CB -0.475 30.523 31.823 -1.375 0.000 0.730 297 V HN 0.218 nan 8.190 nan 0.000 0.479 298 T N 0.458 114.923 114.554 -0.148 0.000 2.983 298 T HA 0.110 4.460 4.350 -0.000 0.000 0.250 298 T C 1.667 176.391 174.700 0.040 0.000 1.037 298 T CA 1.462 63.564 62.100 0.003 0.000 1.142 298 T CB 0.038 68.896 68.868 -0.017 0.000 0.876 298 T HN 0.640 nan 8.240 nan 0.000 0.455 299 E N 0.521 120.725 120.200 0.007 0.000 2.413 299 E HA 0.239 4.589 4.350 -0.000 0.000 0.203 299 E C 1.242 177.865 176.600 0.037 0.000 0.957 299 E CA -0.299 56.116 56.400 0.024 0.000 0.950 299 E CB 0.357 30.060 29.700 0.005 0.000 0.957 299 E HN 0.355 nan 8.360 nan 0.000 0.497 300 G N 1.146 109.969 108.800 0.038 0.000 2.630 300 G HA2 -0.065 3.894 3.960 -0.000 0.000 0.236 300 G HA3 -0.065 3.894 3.960 -0.000 0.000 0.236 300 G C -0.083 174.859 174.900 0.071 0.000 1.248 300 G CA -0.284 44.852 45.100 0.060 0.000 0.844 300 G HN 0.186 nan 8.290 nan 0.000 0.588 301 R N 0.589 121.127 120.500 0.063 0.000 3.225 301 R HA -0.166 4.174 4.340 -0.000 0.000 0.245 301 R C -0.250 176.088 176.300 0.063 0.000 0.928 301 R CA 0.686 56.822 56.100 0.060 0.000 0.632 301 R CB -1.354 28.990 30.300 0.074 0.000 1.038 301 R HN 0.824 nan 8.270 nan 0.000 0.461 302 D N -0.185 120.244 120.400 0.050 0.000 2.708 302 D HA -0.246 4.394 4.640 -0.000 0.000 0.236 302 D C 0.537 176.875 176.300 0.063 0.000 1.146 302 D CA 1.819 55.847 54.000 0.047 0.000 0.662 302 D CB -1.085 39.738 40.800 0.039 0.000 1.059 302 D HN 0.838 nan 8.370 nan 0.000 0.428 303 S N -2.762 112.982 115.700 0.075 0.000 2.857 303 S HA -0.324 4.146 4.470 -0.000 0.000 0.268 303 S C 1.084 175.772 174.600 0.146 0.000 1.297 303 S CA 1.864 60.123 58.200 0.098 0.000 1.280 303 S CB -1.402 61.848 63.200 0.083 0.000 1.562 303 S HN 0.566 nan 8.310 nan 0.000 0.661 304 K N 1.683 122.170 120.400 0.146 0.000 2.296 304 K HA 0.410 4.730 4.320 -0.000 0.000 0.200 304 K C 1.201 177.987 176.600 0.311 0.000 1.048 304 K CA 0.557 56.961 56.287 0.196 0.000 0.966 304 K CB -0.219 32.368 32.500 0.145 0.000 0.754 304 K HN 1.452 nan 8.250 nan 0.000 0.466 305 G N 1.098 110.041 108.800 0.239 0.000 3.067 305 G HA2 0.034 3.994 3.960 -0.000 0.000 0.686 305 G HA3 0.034 3.994 3.960 -0.000 0.000 0.686 305 G C -0.593 174.404 174.900 0.161 0.000 1.119 305 G CA -0.603 44.630 45.100 0.221 0.000 0.790 305 G HN 0.290 nan 8.290 nan 0.000 0.605 306 A N 2.631 125.481 122.820 0.049 0.000 2.407 306 A HA 0.675 4.994 4.320 -0.000 0.000 0.248 306 A C 0.727 178.270 177.584 -0.069 0.000 1.082 306 A CA -0.290 51.735 52.037 -0.021 0.000 0.785 306 A CB 0.236 19.198 19.000 -0.064 0.000 1.020 306 A HN 1.202 nan 8.150 nan 0.000 0.489 307 I N 2.002 122.536 120.570 -0.060 0.000 2.312 307 I HA 0.190 4.359 4.170 -0.000 0.000 0.291 307 I C -0.808 175.278 176.117 -0.053 0.000 1.031 307 I CA -0.273 61.028 61.300 0.001 0.000 1.293 307 I CB -0.508 37.477 38.000 -0.025 0.000 1.403 307 I HN 0.472 nan 8.210 nan 0.000 0.484 308 Y N 5.162 125.615 120.300 0.254 0.000 2.335 308 Y HA 0.478 5.028 4.550 -0.000 0.000 0.339 308 Y C 0.283 176.373 175.900 0.316 0.000 0.987 308 Y CA -0.703 57.577 58.100 0.300 0.000 1.140 308 Y CB 1.659 40.308 38.460 0.315 0.000 1.173 308 Y HN 0.240 nan 8.280 nan 0.000 0.486 309 V N 5.203 125.344 119.914 0.379 0.000 2.409 309 V HA 0.426 4.545 4.120 -0.000 0.000 0.291 309 V C -0.688 175.491 176.094 0.140 0.000 1.020 309 V CA -1.124 61.364 62.300 0.314 0.000 0.848 309 V CB 1.017 33.009 31.823 0.282 0.000 0.990 309 V HN 0.535 nan 8.190 nan 0.000 0.430 310 F N 2.008 122.024 119.950 0.111 0.000 2.546 310 F HA 0.790 5.317 4.527 -0.000 0.000 0.320 310 F C 0.590 176.418 175.800 0.045 0.000 1.076 310 F CA -0.696 57.309 58.000 0.008 0.000 0.928 310 F CB 1.926 40.902 39.000 -0.039 0.000 1.189 310 F HN 0.574 nan 8.300 nan 0.000 0.465 311 A N 0.878 123.802 122.820 0.172 0.000 2.354 311 A HA 0.388 4.708 4.320 -0.000 0.000 0.269 311 A C 1.006 178.699 177.584 0.183 0.000 1.109 311 A CA 0.168 52.299 52.037 0.157 0.000 0.800 311 A CB 0.366 19.442 19.000 0.126 0.000 1.045 311 A HN 0.943 nan 8.150 nan 0.000 0.489 312 S N 1.810 117.607 115.700 0.163 0.000 2.419 312 S HA 0.350 4.820 4.470 -0.000 0.000 0.233 312 S C 1.045 175.739 174.600 0.157 0.000 1.016 312 S CA 0.801 59.094 58.200 0.155 0.000 0.974 312 S CB -0.738 62.538 63.200 0.126 0.000 0.786 312 S HN 2.677 nan 8.310 nan 0.000 0.492 313 G N 0.659 109.554 108.800 0.159 0.000 2.484 313 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.685 313 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.685 313 G C -0.633 174.367 174.900 0.167 0.000 1.294 313 G CA -0.397 44.794 45.100 0.150 0.000 0.879 313 G HN 0.166 nan 8.290 nan 0.000 0.646 314 N N 0.186 118.974 118.700 0.145 0.000 2.251 314 N HA 0.181 4.921 4.740 -0.000 0.000 0.217 314 N C 1.591 177.186 175.510 0.141 0.000 1.124 314 N CA 0.669 53.820 53.050 0.168 0.000 0.843 314 N CB 1.105 39.634 38.487 0.070 0.000 1.024 314 N HN 0.952 nan 8.380 nan 0.000 0.501 315 G N -0.321 108.548 108.800 0.115 0.000 3.314 315 G HA2 0.096 4.056 3.960 -0.000 0.000 0.238 315 G HA3 0.096 4.056 3.960 -0.000 0.000 0.238 315 G C 1.323 176.268 174.900 0.074 0.000 1.184 315 G CA 0.007 45.156 45.100 0.081 0.000 0.806 315 G HN 0.275 nan 8.290 nan 0.000 0.536 316 G N 0.682 109.540 108.800 0.097 0.000 2.470 316 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.220 316 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.220 316 G C 1.630 176.564 174.900 0.056 0.000 1.121 316 G CA 1.625 46.770 45.100 0.075 0.000 0.766 316 G HN 0.534 nan 8.290 nan 0.000 0.553 317 T N -3.217 111.373 114.554 0.061 0.000 3.105 317 T HA 0.296 4.646 4.350 -0.000 0.000 0.253 317 T C 1.615 176.334 174.700 0.031 0.000 1.047 317 T CA -0.364 61.763 62.100 0.044 0.000 0.944 317 T CB 0.193 69.093 68.868 0.054 0.000 1.016 317 T HN 0.236 nan 8.240 nan 0.000 0.544 318 R N 0.452 120.969 120.500 0.028 0.000 2.577 318 R HA 0.409 4.749 4.340 -0.000 0.000 0.344 318 R C 1.404 177.701 176.300 -0.005 0.000 1.037 318 R CA 0.142 56.251 56.100 0.015 0.000 1.102 318 R CB 0.493 30.806 30.300 0.022 0.000 1.313 318 R HN 0.454 nan 8.270 nan 0.000 0.561 319 G N 1.672 110.466 108.800 -0.009 0.000 2.155 319 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.257 319 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.257 319 G C -0.118 174.744 174.900 -0.062 0.000 0.983 319 G CA 0.521 45.600 45.100 -0.034 0.000 0.676 319 G HN 0.379 nan 8.290 nan 0.000 0.528 320 D N 0.135 120.514 120.400 -0.035 0.000 2.358 320 D HA 0.504 5.144 4.640 -0.000 0.000 0.244 320 D C 0.209 176.506 176.300 -0.006 0.000 1.163 320 D CA -0.291 53.682 54.000 -0.045 0.000 0.945 320 D CB 0.545 41.352 40.800 0.012 0.000 1.152 320 D HN 0.210 nan 8.370 nan 0.000 0.451 321 N N 0.672 119.393 118.700 0.034 0.000 2.324 321 N HA 0.053 4.793 4.740 -0.000 0.000 0.285 321 N C 0.343 176.037 175.510 0.307 0.000 1.076 321 N CA -0.600 52.547 53.050 0.162 0.000 0.864 321 N CB 1.159 39.768 38.487 0.202 0.000 1.632 321 N HN 0.526 nan 8.380 nan 0.000 0.478 322 c N 1.470 120.228 118.600 0.264 0.000 2.539 322 c HA 0.263 4.833 4.570 -0.000 0.000 0.271 322 c C 1.420 175.715 174.090 0.342 0.000 1.412 322 c CA -0.461 56.033 56.329 0.275 0.000 1.729 322 c CB -1.501 41.128 42.510 0.198 0.000 1.739 322 c HN 0.556 nan 8.230 nan 0.000 0.570 323 N N 0.026 118.988 118.700 0.436 0.000 2.449 323 N HA 0.091 4.831 4.740 -0.000 0.000 0.191 323 N C 0.271 176.080 175.510 0.499 0.000 1.161 323 N CA 0.481 53.808 53.050 0.461 0.000 0.863 323 N CB -0.222 38.523 38.487 0.430 0.000 0.980 323 N HN 0.766 nan 8.380 nan 0.000 0.458 324 Y N -0.885 119.660 120.300 0.408 0.000 2.555 324 Y HA 0.225 4.775 4.550 -0.000 0.000 0.259 324 Y C 0.031 176.071 175.900 0.233 0.000 1.179 324 Y CA -0.558 57.669 58.100 0.211 0.000 1.230 324 Y CB 0.650 39.163 38.460 0.089 0.000 1.146 324 Y HN -0.124 nan 8.280 nan 0.000 0.526 325 D N -0.326 120.374 120.400 0.501 0.000 2.542 325 D HA 0.211 4.851 4.640 -0.000 0.000 0.252 325 D C 0.867 177.372 176.300 0.342 0.000 1.222 325 D CA -0.395 53.850 54.000 0.409 0.000 0.895 325 D CB 1.695 42.678 40.800 0.305 0.000 1.207 325 D HN 0.263 nan 8.370 nan 0.000 0.558 326 G N 2.080 111.053 108.800 0.288 0.000 2.744 326 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.211 326 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.211 326 G C 0.692 175.375 174.900 -0.361 0.000 1.143 326 G CA 0.507 45.541 45.100 -0.110 0.000 0.788 326 G HN 0.472 nan 8.290 nan 0.000 0.534 327 Y N 1.429 121.590 120.300 -0.232 0.000 2.201 327 Y HA -0.056 4.493 4.550 -0.000 0.000 0.292 327 Y C 3.286 178.788 175.900 -0.663 0.000 1.119 327 Y CA 1.633 59.352 58.100 -0.635 0.000 1.127 327 Y CB -0.677 37.287 38.460 -0.827 0.000 1.019 327 Y HN 0.214 nan 8.280 nan 0.000 0.514 328 T N -1.047 113.407 114.554 -0.166 0.000 2.788 328 T HA -0.227 4.122 4.350 -0.000 0.000 0.268 328 T C 1.290 175.979 174.700 -0.017 0.000 1.044 328 T CA 1.518 63.594 62.100 -0.040 0.000 1.139 328 T CB -0.967 67.963 68.868 0.104 0.000 0.867 328 T HN 0.630 nan 8.240 nan 0.000 0.454 329 N N 0.753 119.439 118.700 -0.024 0.000 2.383 329 N HA 0.059 4.799 4.740 -0.000 0.000 0.192 329 N C 0.541 175.956 175.510 -0.159 0.000 1.141 329 N CA -0.235 52.799 53.050 -0.027 0.000 0.851 329 N CB 0.081 38.604 38.487 0.060 0.000 0.976 329 N HN 0.253 nan 8.380 nan 0.000 0.465 330 S N 0.941 116.498 115.700 -0.240 0.000 2.562 330 S HA 0.064 4.534 4.470 -0.000 0.000 0.281 330 S C 1.471 175.864 174.600 -0.345 0.000 1.333 330 S CA -0.814 57.184 58.200 -0.337 0.000 1.052 330 S CB 0.342 63.344 63.200 -0.331 0.000 0.884 330 S HN 0.399 nan 8.310 nan 0.000 0.506 331 I N 2.531 122.703 120.570 -0.663 0.000 2.676 331 I HA -0.028 4.142 4.170 -0.000 0.000 0.259 331 I C 1.008 176.791 176.117 -0.557 0.000 1.194 331 I CA 1.124 61.887 61.300 -0.894 0.000 1.473 331 I CB -0.450 36.596 38.000 -1.591 0.000 1.096 331 I HN 0.717 nan 8.210 nan 0.000 0.443 332 Y N 2.184 122.349 120.300 -0.224 0.000 2.544 332 Y HA 0.151 4.701 4.550 -0.000 0.000 0.286 332 Y C 1.616 177.563 175.900 0.078 0.000 1.141 332 Y CA -0.025 57.964 58.100 -0.186 0.000 1.299 332 Y CB -0.112 38.091 38.460 -0.428 0.000 1.030 332 Y HN 0.244 nan 8.280 nan 0.000 0.543 333 S N 0.470 116.273 115.700 0.173 0.000 2.525 333 S HA 0.528 4.998 4.470 -0.000 0.000 0.290 333 S C -0.598 174.192 174.600 0.316 0.000 1.152 333 S CA -0.841 57.546 58.200 0.310 0.000 1.072 333 S CB 1.242 64.537 63.200 0.159 0.000 1.027 333 S HN 0.174 nan 8.310 nan 0.000 0.500 334 I N 2.986 123.779 120.570 0.371 0.000 2.322 334 I HA 0.173 4.343 4.170 -0.000 0.000 0.292 334 I C 0.177 176.481 176.117 0.312 0.000 1.060 334 I CA -0.206 61.288 61.300 0.325 0.000 1.309 334 I CB 0.769 38.958 38.000 0.315 0.000 1.415 334 I HN 0.617 nan 8.210 nan 0.000 0.492 335 T N 7.271 121.981 114.554 0.260 0.000 2.780 335 T HA 0.435 4.784 4.350 -0.000 0.000 0.294 335 T C 0.052 174.872 174.700 0.200 0.000 0.949 335 T CA -0.185 62.054 62.100 0.231 0.000 1.074 335 T CB 0.775 69.755 68.868 0.188 0.000 0.910 335 T HN 0.204 nan 8.240 nan 0.000 0.501 336 I N 3.393 124.074 120.570 0.184 0.000 2.418 336 I HA 0.419 4.589 4.170 -0.000 0.000 0.287 336 I C 0.905 177.091 176.117 0.116 0.000 1.008 336 I CA -0.535 60.851 61.300 0.142 0.000 1.104 336 I CB 1.172 39.251 38.000 0.133 0.000 1.264 336 I HN 0.696 nan 8.210 nan 0.000 0.438 337 G N 4.258 113.109 108.800 0.086 0.000 2.535 337 G HA2 0.713 4.673 3.960 -0.000 0.000 0.303 337 G HA3 0.713 4.673 3.960 -0.000 0.000 0.303 337 G C -0.724 174.209 174.900 0.056 0.000 1.237 337 G CA -0.446 44.694 45.100 0.068 0.000 0.986 337 G HN 0.701 nan 8.290 nan 0.000 0.494 338 A N -0.608 122.237 122.820 0.043 0.000 2.340 338 A HA 0.778 5.098 4.320 -0.000 0.000 0.331 338 A C -0.166 177.416 177.584 -0.003 0.000 1.140 338 A CA -0.687 51.372 52.037 0.036 0.000 0.801 338 A CB 0.791 19.861 19.000 0.116 0.000 1.234 338 A HN 1.110 nan 8.150 nan 0.000 0.469 339 I N -0.889 119.691 120.570 0.017 0.000 2.892 339 I HA 0.724 4.893 4.170 -0.000 0.000 0.306 339 I C -0.606 175.626 176.117 0.190 0.000 1.078 339 I CA -1.076 60.264 61.300 0.066 0.000 1.032 339 I CB 2.187 40.229 38.000 0.070 0.000 1.229 339 I HN 0.673 nan 8.210 nan 0.000 0.435 340 D N 1.256 121.748 120.400 0.153 0.000 2.511 340 D HA 0.100 4.740 4.640 -0.000 0.000 0.276 340 D C 1.086 177.465 176.300 0.132 0.000 1.220 340 D CA -0.085 54.018 54.000 0.172 0.000 1.077 340 D CB 0.056 40.855 40.800 -0.002 0.000 1.126 340 D HN 0.766 nan 8.370 nan 0.000 0.583 341 H N -1.000 117.769 119.070 -0.503 0.000 2.567 341 H HA 0.087 4.643 4.556 -0.000 0.000 0.276 341 H C 0.081 175.009 175.328 -0.666 0.000 1.016 341 H CA 0.646 56.125 56.048 -0.949 0.000 1.186 341 H CB -0.039 28.592 29.762 -1.885 0.000 1.351 341 H HN 0.370 nan 8.280 nan 0.000 0.605 342 K N 0.447 120.282 120.400 -0.943 0.000 2.414 342 K HA 0.055 4.375 4.320 -0.000 0.000 0.204 342 K C -0.500 175.889 176.600 -0.351 0.000 1.026 342 K CA 0.150 55.857 56.287 -0.968 0.000 1.108 342 K CB 0.846 32.664 32.500 -1.137 0.000 0.855 342 K HN 0.018 nan 8.250 nan 0.000 0.517 343 D N 1.219 121.561 120.400 -0.098 0.000 2.870 343 D HA -0.159 4.481 4.640 -0.000 0.000 0.228 343 D C -0.773 175.540 176.300 0.021 0.000 1.147 343 D CA 0.933 54.964 54.000 0.053 0.000 0.757 343 D CB -1.211 39.617 40.800 0.046 0.000 1.091 343 D HN 0.241 nan 8.370 nan 0.000 0.429 344 L N -0.354 120.866 121.223 -0.005 0.000 2.352 344 L HA 0.445 4.785 4.340 -0.000 0.000 0.269 344 L C 0.880 177.826 176.870 0.127 0.000 1.034 344 L CA -1.127 53.743 54.840 0.051 0.000 0.806 344 L CB 1.163 43.192 42.059 -0.049 0.000 1.244 344 L HN 0.046 nan 8.230 nan 0.000 0.447 345 H N 3.022 122.150 119.070 0.096 0.000 2.955 345 H HA 0.204 4.760 4.556 -0.000 0.000 0.290 345 H C -2.378 172.847 175.328 -0.172 0.000 1.047 345 H CA -1.489 54.528 56.048 -0.052 0.000 1.484 345 H CB 0.699 30.369 29.762 -0.155 0.000 1.501 345 H HN 0.156 nan 8.280 nan 0.000 0.521 346 P HA 0.124 nan 4.420 nan 0.000 0.282 346 P C -2.317 174.252 177.300 -1.219 0.000 1.274 346 P CA -1.818 60.750 63.100 -0.887 0.000 0.770 346 P CB 1.313 32.342 31.700 -1.119 0.000 0.867 347 P HA -0.218 nan 4.420 nan 0.000 0.217 347 P C 1.274 178.432 177.300 -0.237 0.000 1.148 347 P CA 1.413 64.308 63.100 -0.341 0.000 0.828 347 P CB -0.627 31.015 31.700 -0.096 0.000 0.783 348 Y N -1.240 118.978 120.300 -0.136 0.000 2.315 348 Y HA -0.022 4.528 4.550 -0.000 0.000 0.288 348 Y C 1.159 177.033 175.900 -0.044 0.000 1.154 348 Y CA 0.244 58.307 58.100 -0.061 0.000 1.229 348 Y CB -1.765 36.674 38.460 -0.035 0.000 0.980 348 Y HN -0.189 nan 8.280 nan 0.000 0.540 349 S N 1.889 117.405 115.700 -0.306 0.000 2.465 349 S HA 0.057 4.526 4.470 -0.000 0.000 0.280 349 S C -0.153 174.499 174.600 0.086 0.000 1.232 349 S CA -0.621 57.542 58.200 -0.062 0.000 1.066 349 S CB -0.179 62.861 63.200 -0.266 0.000 0.929 349 S HN 0.518 nan 8.310 nan 0.000 0.494 350 E N 2.946 123.214 120.200 0.114 0.000 2.392 350 E HA 0.393 4.743 4.350 -0.000 0.000 0.264 350 E C 0.593 177.227 176.600 0.057 0.000 1.024 350 E CA -0.123 56.334 56.400 0.095 0.000 0.903 350 E CB 0.728 30.497 29.700 0.115 0.000 0.963 350 E HN 0.720 nan 8.360 nan 0.000 0.432 351 G N 0.691 109.502 108.800 0.017 0.000 2.489 351 G HA2 0.636 4.596 3.960 -0.000 0.000 0.327 351 G HA3 0.636 4.596 3.960 -0.000 0.000 0.327 351 G C -0.789 174.150 174.900 0.064 0.000 1.189 351 G CA -0.397 44.690 45.100 -0.023 0.000 0.962 351 G HN 0.793 nan 8.290 nan 0.000 0.486 352 c N -1.772 116.876 118.600 0.080 0.000 3.165 352 c HA 0.587 5.157 4.570 -0.000 0.000 0.345 352 c C 1.339 175.477 174.090 0.080 0.000 1.367 352 c CA -0.002 56.422 56.329 0.157 0.000 1.205 352 c CB 1.059 43.688 42.510 0.198 0.000 1.447 352 c HN 1.193 nan 8.230 nan 0.000 0.451 353 S N 0.291 116.021 115.700 0.051 0.000 2.603 353 S HA 0.202 4.671 4.470 -0.000 0.000 0.229 353 S C 1.218 175.815 174.600 -0.005 0.000 0.972 353 S CA 1.054 59.142 58.200 -0.187 0.000 0.935 353 S CB -0.337 62.769 63.200 -0.155 0.000 0.769 353 S HN 1.844 nan 8.310 nan 0.000 0.536 354 A N 0.825 123.701 122.820 0.093 0.000 2.267 354 A HA 0.499 4.818 4.320 -0.000 0.000 0.213 354 A C 0.714 178.396 177.584 0.163 0.000 1.192 354 A CA -0.208 51.911 52.037 0.136 0.000 0.851 354 A CB -0.075 19.007 19.000 0.136 0.000 0.881 354 A HN 0.369 nan 8.150 nan 0.000 0.494 355 V N 2.003 122.004 119.914 0.144 0.000 2.485 355 V HA -0.053 4.067 4.120 -0.000 0.000 0.287 355 V C 1.321 177.534 176.094 0.200 0.000 1.022 355 V CA 0.520 62.899 62.300 0.132 0.000 1.067 355 V CB 0.523 32.365 31.823 0.031 0.000 0.967 355 V HN 0.558 nan 8.190 nan 0.000 0.479 356 M N 3.489 123.217 119.600 0.214 0.000 2.325 356 M HA 0.317 4.797 4.480 -0.000 0.000 0.265 356 M C 0.691 177.158 176.300 0.278 0.000 1.094 356 M CA 1.166 56.633 55.300 0.278 0.000 1.161 356 M CB 0.220 32.951 32.600 0.218 0.000 1.358 356 M HN 0.763 nan 8.290 nan 0.000 0.446 357 A N 0.024 122.956 122.820 0.186 0.000 2.564 357 A HA 0.634 4.954 4.320 -0.000 0.000 0.291 357 A C -1.223 176.424 177.584 0.105 0.000 1.102 357 A CA -0.784 51.347 52.037 0.157 0.000 0.660 357 A CB 1.077 20.167 19.000 0.149 0.000 1.283 357 A HN 0.101 nan 8.150 nan 0.000 0.430 358 V N -2.269 117.694 119.914 0.082 0.000 2.864 358 V HA 0.983 5.103 4.120 -0.000 0.000 0.314 358 V C -0.242 175.814 176.094 -0.062 0.000 1.073 358 V CA 0.147 62.468 62.300 0.036 0.000 0.956 358 V CB 1.245 33.120 31.823 0.086 0.000 1.023 358 V HN 1.558 nan 8.190 nan 0.000 0.435 359 T N 0.900 115.389 114.554 -0.108 0.000 2.654 359 T HA 0.622 4.972 4.350 -0.000 0.000 0.289 359 T C -1.417 173.141 174.700 -0.236 0.000 1.062 359 T CA -0.469 61.480 62.100 -0.251 0.000 1.041 359 T CB 1.441 70.246 68.868 -0.104 0.000 1.417 359 T HN 0.631 nan 8.240 nan 0.000 0.510 360 Y N 1.007 121.374 120.300 0.112 0.000 2.304 360 Y HA 0.594 5.144 4.550 -0.000 0.000 0.327 360 Y C 1.081 177.057 175.900 0.126 0.000 1.209 360 Y CA 0.308 58.522 58.100 0.190 0.000 1.299 360 Y CB 1.408 40.020 38.460 0.253 0.000 1.249 360 Y HN 0.557 nan 8.280 nan 0.000 0.519 361 S N 0.014 115.975 115.700 0.435 0.000 2.873 361 S HA 0.448 4.918 4.470 -0.000 0.000 0.303 361 S C -1.035 173.816 174.600 0.418 0.000 1.222 361 S CA -0.586 57.796 58.200 0.304 0.000 0.923 361 S CB 0.109 63.438 63.200 0.216 0.000 1.286 361 S HN 0.684 nan 8.310 nan 0.000 0.571 362 S N 0.070 115.941 115.700 0.285 0.000 2.585 362 S HA 0.750 5.220 4.470 -0.000 0.000 0.273 362 S C 0.399 175.081 174.600 0.136 0.000 1.339 362 S CA 0.302 58.593 58.200 0.152 0.000 1.028 362 S CB 0.425 63.698 63.200 0.122 0.000 0.906 362 S HN 1.849 nan 8.310 nan 0.000 0.528 363 G N -0.156 108.585 108.800 -0.098 0.000 2.337 363 G HA2 0.376 4.336 3.960 -0.000 0.000 0.310 363 G HA3 0.376 4.336 3.960 -0.000 0.000 0.310 363 G C -0.148 174.685 174.900 -0.113 0.000 1.534 363 G CA -0.311 44.748 45.100 -0.068 0.000 0.982 363 G HN 1.646 nan 8.290 nan 0.000 0.672 364 S N -1.272 114.376 115.700 -0.086 0.000 3.533 364 S HA 0.074 4.544 4.470 -0.000 0.000 0.347 364 S C 2.244 176.863 174.600 0.031 0.000 1.101 364 S CA 2.720 60.895 58.200 -0.042 0.000 1.009 364 S CB -1.313 61.810 63.200 -0.128 0.000 0.916 364 S HN 2.910 nan 8.310 nan 0.000 0.496 365 G N -1.123 107.591 108.800 -0.142 0.000 2.201 365 G HA2 -0.179 3.780 3.960 -0.000 0.000 0.212 365 G HA3 -0.179 3.780 3.960 -0.000 0.000 0.212 365 G C -0.331 174.341 174.900 -0.381 0.000 0.994 365 G CA 0.262 45.259 45.100 -0.171 0.000 0.644 365 G HN 0.520 nan 8.290 nan 0.000 0.508 366 E N -0.932 118.875 120.200 -0.655 0.000 2.339 366 E HA 0.804 5.154 4.350 -0.000 0.000 0.262 366 E C -1.013 175.207 176.600 -0.633 0.000 0.934 366 E CA -0.551 55.484 56.400 -0.609 0.000 0.802 366 E CB 1.808 30.842 29.700 -1.110 0.000 1.275 366 E HN 0.246 nan 8.360 nan 0.000 0.427 367 Y N -0.726 119.742 120.300 0.281 0.000 2.677 367 Y HA 0.387 4.937 4.550 -0.000 0.000 0.334 367 Y C 0.009 176.053 175.900 0.240 0.000 1.154 367 Y CA -1.066 57.145 58.100 0.185 0.000 1.070 367 Y CB 1.040 39.462 38.460 -0.063 0.000 1.294 367 Y HN 0.239 nan 8.280 nan 0.000 0.475 368 I N 2.049 122.731 120.570 0.186 0.000 2.371 368 I HA 0.153 4.323 4.170 -0.000 0.000 0.290 368 I C -0.555 175.531 176.117 -0.051 0.000 1.028 368 I CA -0.568 60.722 61.300 -0.016 0.000 1.345 368 I CB 0.111 38.022 38.000 -0.149 0.000 1.407 368 I HN 0.580 nan 8.210 nan 0.000 0.501 369 H N 3.943 123.071 119.070 0.096 0.000 2.517 369 H HA 0.545 5.101 4.556 -0.000 0.000 0.317 369 H C 0.193 175.576 175.328 0.091 0.000 1.080 369 H CA 0.082 56.191 56.048 0.101 0.000 1.301 369 H CB 1.440 31.258 29.762 0.093 0.000 1.425 369 H HN 0.620 nan 8.280 nan 0.000 0.471 370 S N 1.296 117.071 115.700 0.126 0.000 2.929 370 S HA 0.534 5.004 4.470 -0.000 0.000 0.311 370 S C -0.646 173.964 174.600 0.017 0.000 1.213 370 S CA -0.497 57.750 58.200 0.079 0.000 0.908 370 S CB 0.318 63.547 63.200 0.050 0.000 1.287 370 S HN 0.659 nan 8.310 nan 0.000 0.594 371 S N 0.872 116.578 115.700 0.010 0.000 2.669 371 S HA 0.739 5.209 4.470 -0.000 0.000 0.270 371 S C -0.765 173.821 174.600 -0.023 0.000 1.225 371 S CA -0.297 57.910 58.200 0.012 0.000 0.991 371 S CB 1.087 64.336 63.200 0.081 0.000 0.987 371 S HN 0.715 nan 8.310 nan 0.000 0.552 372 D N -1.126 119.278 120.400 0.006 0.000 2.626 372 D HA 0.446 5.086 4.640 -0.000 0.000 0.278 372 D C -0.442 175.869 176.300 0.018 0.000 1.211 372 D CA -0.858 53.139 54.000 -0.005 0.000 0.903 372 D CB 1.381 42.172 40.800 -0.015 0.000 1.408 372 D HN 0.703 nan 8.370 nan 0.000 0.454 373 I N -0.880 119.699 120.570 0.016 0.000 2.945 373 I HA 0.397 4.567 4.170 -0.000 0.000 0.292 373 I C 0.339 176.460 176.117 0.006 0.000 1.093 373 I CA -0.467 60.835 61.300 0.003 0.000 1.336 373 I CB 0.404 38.408 38.000 0.007 0.000 1.435 373 I HN 0.322 nan 8.210 nan 0.000 0.593 374 N N 2.524 121.216 118.700 -0.013 0.000 2.782 374 N HA -0.181 4.559 4.740 -0.000 0.000 0.251 374 N C 0.807 176.329 175.510 0.021 0.000 1.101 374 N CA 1.318 54.363 53.050 -0.009 0.000 0.764 374 N CB -1.574 36.908 38.487 -0.009 0.000 1.122 374 N HN 1.447 nan 8.380 nan 0.000 0.561 375 G N -1.200 107.631 108.800 0.052 0.000 2.143 375 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.248 375 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.248 375 G C 0.257 175.313 174.900 0.260 0.000 0.991 375 G CA 0.940 46.119 45.100 0.132 0.000 0.689 375 G HN 0.577 nan 8.290 nan 0.000 0.522 376 R N -1.222 119.369 120.500 0.151 0.000 2.923 376 R HA 0.789 5.129 4.340 -0.000 0.000 0.252 376 R C 0.460 176.751 176.300 -0.015 0.000 1.130 376 R CA -0.014 56.127 56.100 0.068 0.000 1.043 376 R CB 0.844 31.156 30.300 0.021 0.000 1.205 376 R HN 0.278 nan 8.270 nan 0.000 0.495 377 c N -0.463 118.072 118.600 -0.109 0.000 2.351 377 c HA 0.589 5.159 4.570 -0.000 0.000 0.359 377 c C 0.435 174.492 174.090 -0.055 0.000 1.193 377 c CA -0.683 55.574 56.329 -0.121 0.000 2.270 377 c CB 1.389 43.798 42.510 -0.169 0.000 2.369 377 c HN 0.631 nan 8.230 nan 0.000 0.553 378 S N 1.174 116.849 115.700 -0.042 0.000 2.442 378 S HA 0.297 4.767 4.470 -0.000 0.000 0.297 378 S C 0.468 175.043 174.600 -0.042 0.000 1.131 378 S CA -0.415 57.756 58.200 -0.049 0.000 1.092 378 S CB 0.004 63.161 63.200 -0.071 0.000 0.998 378 S HN 0.766 nan 8.310 nan 0.000 0.478 379 N N 2.238 120.885 118.700 -0.087 0.000 2.177 379 N HA 0.101 4.841 4.740 -0.000 0.000 0.218 379 N C 0.129 175.424 175.510 -0.358 0.000 1.182 379 N CA 0.173 53.126 53.050 -0.162 0.000 0.882 379 N CB 1.017 39.545 38.487 0.069 0.000 1.052 379 N HN 0.635 nan 8.380 nan 0.000 0.519 380 S N -1.310 114.211 115.700 -0.298 0.000 3.021 380 S HA 0.095 4.565 4.470 -0.000 0.000 0.252 380 S C -0.103 174.442 174.600 -0.092 0.000 0.996 380 S CA -0.501 57.422 58.200 -0.461 0.000 1.084 380 S CB -0.172 62.636 63.200 -0.654 0.000 1.021 380 S HN 0.163 nan 8.310 nan 0.000 0.566 381 H N 1.674 120.685 119.070 -0.099 0.000 2.897 381 H HA 0.610 5.166 4.556 -0.000 0.000 0.347 381 H C 0.650 176.018 175.328 0.068 0.000 1.068 381 H CA 1.742 57.777 56.048 -0.022 0.000 1.426 381 H CB 0.502 30.238 29.762 -0.043 0.000 1.410 381 H HN 0.630 nan 8.280 nan 0.000 0.597 382 G N 0.992 109.657 108.800 -0.225 0.000 2.428 382 G HA2 0.525 4.485 3.960 -0.000 0.000 0.305 382 G HA3 0.525 4.485 3.960 -0.000 0.000 0.305 382 G C -0.247 174.499 174.900 -0.257 0.000 1.260 382 G CA 0.059 45.060 45.100 -0.165 0.000 0.853 382 G HN 1.180 nan 8.290 nan 0.000 0.480 383 G N -2.036 106.547 108.800 -0.362 0.000 2.829 383 G HA2 0.228 4.188 3.960 -0.000 0.000 0.628 383 G HA3 0.228 4.188 3.960 -0.000 0.000 0.628 383 G C 1.179 176.026 174.900 -0.088 0.000 1.412 383 G CA 0.748 45.520 45.100 -0.548 0.000 0.864 383 G HN 2.237 nan 8.290 nan 0.000 0.544 384 T N -2.380 112.230 114.554 0.094 0.000 2.929 384 T HA -0.031 4.319 4.350 -0.000 0.000 0.271 384 T C 2.426 177.181 174.700 0.092 0.000 1.085 384 T CA 2.259 64.463 62.100 0.175 0.000 1.125 384 T CB -0.257 68.733 68.868 0.203 0.000 0.874 384 T HN 0.976 nan 8.240 nan 0.000 0.494 385 S N 1.723 117.469 115.700 0.077 0.000 2.419 385 S HA 0.060 4.530 4.470 -0.000 0.000 0.235 385 S C 2.393 176.975 174.600 -0.030 0.000 1.019 385 S CA 0.975 59.234 58.200 0.098 0.000 0.982 385 S CB -0.588 62.755 63.200 0.239 0.000 0.789 385 S HN 0.820 nan 8.310 nan 0.000 0.490 386 A N 0.515 123.216 122.820 -0.198 0.000 2.123 386 A HA 0.513 4.833 4.320 -0.000 0.000 0.214 386 A C 2.115 179.636 177.584 -0.106 0.000 1.152 386 A CA 0.977 52.823 52.037 -0.319 0.000 0.728 386 A CB -0.460 18.132 19.000 -0.680 0.000 0.814 386 A HN 0.463 nan 8.150 nan 0.000 0.464 387 A N 0.146 122.953 122.820 -0.021 0.000 1.855 387 A HA 0.318 4.638 4.320 -0.000 0.000 0.213 387 A C 2.473 180.072 177.584 0.024 0.000 1.195 387 A CA 1.524 53.573 52.037 0.020 0.000 0.610 387 A CB -1.102 17.936 19.000 0.062 0.000 0.837 387 A HN 0.948 nan 8.150 nan 0.000 0.444 388 A N 0.568 123.416 122.820 0.048 0.000 1.903 388 A HA -0.128 4.192 4.320 -0.000 0.000 0.219 388 A C 0.185 177.799 177.584 0.050 0.000 1.191 388 A CA 2.224 54.298 52.037 0.063 0.000 0.638 388 A CB -1.871 17.168 19.000 0.066 0.000 0.823 388 A HN 0.451 nan 8.150 nan 0.000 0.451 389 P HA -0.101 nan 4.420 nan 0.000 0.218 389 P C 1.413 178.733 177.300 0.033 0.000 1.149 389 P CA 0.742 63.875 63.100 0.054 0.000 0.817 389 P CB -0.134 31.608 31.700 0.070 0.000 0.785 390 L N -1.096 120.131 121.223 0.008 0.000 2.046 390 L HA -0.161 4.178 4.340 -0.000 0.000 0.208 390 L C 2.463 179.297 176.870 -0.060 0.000 1.077 390 L CA 1.576 56.418 54.840 0.003 0.000 0.747 390 L CB -1.218 40.846 42.059 0.009 0.000 0.896 390 L HN -0.021 nan 8.230 nan 0.000 0.432 391 A N 0.277 123.036 122.820 -0.103 0.000 1.877 391 A HA -0.203 4.117 4.320 -0.000 0.000 0.216 391 A C 2.563 179.884 177.584 -0.438 0.000 1.186 391 A CA 1.852 53.704 52.037 -0.309 0.000 0.620 391 A CB -0.774 18.131 19.000 -0.159 0.000 0.822 391 A HN 0.399 nan 8.150 nan 0.000 0.443 392 A N -0.516 122.265 122.820 -0.065 0.000 1.908 392 A HA 0.055 4.375 4.320 -0.000 0.000 0.218 392 A C 2.439 180.057 177.584 0.057 0.000 1.181 392 A CA 2.134 54.235 52.037 0.107 0.000 0.627 392 A CB -1.480 17.600 19.000 0.134 0.000 0.818 392 A HN 0.794 nan 8.150 nan 0.000 0.445 393 G N -0.634 108.178 108.800 0.019 0.000 2.446 393 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.217 393 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.217 393 G C 1.505 176.414 174.900 0.016 0.000 1.168 393 G CA 1.262 46.391 45.100 0.050 0.000 0.771 393 G HN 0.344 nan 8.290 nan 0.000 0.551 394 V N 0.094 119.953 119.914 -0.092 0.000 2.407 394 V HA -0.176 3.944 4.120 -0.000 0.000 0.248 394 V C 2.460 178.521 176.094 -0.054 0.000 1.055 394 V CA 1.321 63.547 62.300 -0.124 0.000 1.049 394 V CB -0.704 30.979 31.823 -0.234 0.000 0.662 394 V HN 0.423 nan 8.190 nan 0.000 0.455 395 Y N 1.241 121.567 120.300 0.044 0.000 2.352 395 Y HA -0.178 4.372 4.550 -0.000 0.000 0.292 395 Y C 2.885 178.804 175.900 0.031 0.000 1.136 395 Y CA 1.218 59.340 58.100 0.037 0.000 1.227 395 Y CB -1.615 36.875 38.460 0.051 0.000 0.991 395 Y HN 0.509 nan 8.280 nan 0.000 0.545 396 T N -2.204 112.445 114.554 0.158 0.000 2.821 396 T HA -0.138 4.212 4.350 -0.000 0.000 0.267 396 T C 1.922 176.665 174.700 0.073 0.000 1.046 396 T CA 1.144 63.301 62.100 0.096 0.000 1.139 396 T CB -0.717 68.191 68.868 0.067 0.000 0.871 396 T HN 0.325 nan 8.240 nan 0.000 0.454 397 L N -0.015 121.250 121.223 0.070 0.000 2.056 397 L HA 0.086 4.425 4.340 -0.000 0.000 0.207 397 L C 2.689 179.591 176.870 0.053 0.000 1.078 397 L CA 0.996 55.867 54.840 0.051 0.000 0.749 397 L CB -0.770 41.313 42.059 0.039 0.000 0.901 397 L HN 0.249 nan 8.230 nan 0.000 0.433 398 L N 0.080 121.352 121.223 0.082 0.000 2.046 398 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 398 L C 2.273 179.183 176.870 0.067 0.000 1.077 398 L CA 1.727 56.616 54.840 0.080 0.000 0.747 398 L CB -0.337 41.809 42.059 0.145 0.000 0.896 398 L HN 0.112 nan 8.230 nan 0.000 0.432 399 L N -0.805 120.465 121.223 0.079 0.000 2.291 399 L HA -0.110 4.230 4.340 -0.000 0.000 0.214 399 L C 2.463 179.361 176.870 0.046 0.000 1.120 399 L CA 1.004 55.880 54.840 0.060 0.000 0.799 399 L CB -0.515 41.581 42.059 0.062 0.000 0.925 399 L HN 0.460 nan 8.230 nan 0.000 0.446 400 E N 0.724 120.950 120.200 0.042 0.000 2.072 400 E HA -0.186 4.164 4.350 -0.000 0.000 0.190 400 E C 2.255 178.874 176.600 0.032 0.000 0.982 400 E CA 1.045 57.464 56.400 0.032 0.000 0.803 400 E CB 0.118 29.833 29.700 0.025 0.000 0.755 400 E HN 0.426 nan 8.360 nan 0.000 0.453 401 A N 1.052 123.892 122.820 0.033 0.000 1.877 401 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 401 A C 1.356 178.960 177.584 0.034 0.000 1.186 401 A CA 1.302 53.356 52.037 0.028 0.000 0.620 401 A CB -0.057 18.953 19.000 0.017 0.000 0.822 401 A HN 0.244 nan 8.150 nan 0.000 0.443 402 N N -1.306 117.417 118.700 0.040 0.000 2.675 402 N HA 0.303 5.042 4.740 -0.000 0.000 0.254 402 N C -2.800 172.742 175.510 0.052 0.000 1.224 402 N CA -1.741 51.338 53.050 0.049 0.000 0.777 402 N CB 1.402 39.925 38.487 0.061 0.000 1.256 402 N HN -0.106 nan 8.380 nan 0.000 0.531 403 P HA 0.108 nan 4.420 nan 0.000 0.229 403 P C 0.479 177.813 177.300 0.056 0.000 1.160 403 P CA 0.619 63.748 63.100 0.048 0.000 0.777 403 P CB 0.450 32.173 31.700 0.040 0.000 0.814 404 N N -0.859 117.878 118.700 0.062 0.000 2.398 404 N HA 0.023 4.763 4.740 -0.000 0.000 0.188 404 N C 0.225 175.786 175.510 0.086 0.000 1.122 404 N CA 0.215 53.305 53.050 0.067 0.000 0.866 404 N CB -0.324 38.197 38.487 0.058 0.000 0.970 404 N HN 0.111 nan 8.380 nan 0.000 0.462 405 L N 1.630 122.908 121.223 0.092 0.000 2.490 405 L HA 0.039 4.379 4.340 -0.000 0.000 0.274 405 L C 1.442 178.375 176.870 0.105 0.000 1.201 405 L CA 0.202 55.104 54.840 0.104 0.000 0.869 405 L CB 0.083 42.181 42.059 0.065 0.000 1.123 405 L HN 0.143 nan 8.230 nan 0.000 0.484 406 T N 0.584 115.204 114.554 0.111 0.000 2.824 406 T HA 0.136 4.486 4.350 -0.000 0.000 0.277 406 T C 1.451 176.237 174.700 0.143 0.000 0.975 406 T CA -0.441 61.741 62.100 0.136 0.000 0.966 406 T CB 0.637 69.558 68.868 0.088 0.000 1.054 406 T HN 0.676 nan 8.240 nan 0.000 0.533 407 W N 1.006 122.385 121.300 0.132 0.000 2.350 407 W HA -0.109 4.550 4.660 -0.000 0.000 0.289 407 W C 1.567 178.207 176.519 0.203 0.000 1.215 407 W CA 0.714 58.143 57.345 0.139 0.000 1.236 407 W CB -0.936 28.630 29.460 0.177 0.000 1.130 407 W HN 0.660 nan 8.180 nan 0.000 0.541 408 R N 0.678 120.825 120.500 -0.588 0.000 2.093 408 R HA -0.079 4.261 4.340 -0.000 0.000 0.224 408 R C 1.980 178.368 176.300 0.147 0.000 1.101 408 R CA 1.576 57.468 56.100 -0.347 0.000 0.979 408 R CB -0.421 29.575 30.300 -0.507 0.000 0.877 408 R HN 0.031 nan 8.270 nan 0.000 0.441 409 D N 0.289 120.740 120.400 0.086 0.000 2.149 409 D HA -0.144 4.496 4.640 -0.000 0.000 0.198 409 D C 1.863 178.122 176.300 -0.068 0.000 0.990 409 D CA 1.242 55.313 54.000 0.117 0.000 0.839 409 D CB 0.002 40.909 40.800 0.179 0.000 0.948 409 D HN 0.040 nan 8.370 nan 0.000 0.460 410 V N 1.322 121.207 119.914 -0.050 0.000 2.407 410 V HA -0.244 3.876 4.120 -0.000 0.000 0.248 410 V C 2.533 178.548 176.094 -0.131 0.000 1.055 410 V CA 1.509 63.726 62.300 -0.138 0.000 1.049 410 V CB -0.460 31.246 31.823 -0.196 0.000 0.662 410 V HN 0.207 nan 8.190 nan 0.000 0.455 411 Q N -1.297 118.485 119.800 -0.029 0.000 2.046 411 Q HA -0.201 4.138 4.340 -0.000 0.000 0.200 411 Q C 2.248 178.046 176.000 -0.336 0.000 0.975 411 Q CA 1.963 57.709 55.803 -0.095 0.000 0.836 411 Q CB -0.305 28.492 28.738 0.100 0.000 0.896 411 Q HN 0.666 nan 8.270 nan 0.000 0.428 412 Y N 1.034 121.161 120.300 -0.289 0.000 2.128 412 Y HA -0.252 4.298 4.550 -0.000 0.000 0.284 412 Y C 2.202 177.767 175.900 -0.557 0.000 1.154 412 Y CA 1.308 59.179 58.100 -0.381 0.000 1.149 412 Y CB -0.255 38.158 38.460 -0.077 0.000 0.976 412 Y HN 0.063 nan 8.280 nan 0.000 0.505 413 L N -1.384 119.563 121.223 -0.460 0.000 2.093 413 L HA -0.237 4.103 4.340 -0.000 0.000 0.208 413 L C 2.398 179.105 176.870 -0.271 0.000 1.085 413 L CA 1.267 55.801 54.840 -0.510 0.000 0.755 413 L CB -0.568 41.164 42.059 -0.544 0.000 0.904 413 L HN 0.122 nan 8.230 nan 0.000 0.435 414 S N 0.111 115.698 115.700 -0.188 0.000 2.368 414 S HA -0.139 4.331 4.470 -0.000 0.000 0.225 414 S C 1.943 176.451 174.600 -0.152 0.000 1.030 414 S CA 1.259 59.416 58.200 -0.072 0.000 0.999 414 S CB -0.229 62.998 63.200 0.044 0.000 0.844 414 S HN 0.280 nan 8.310 nan 0.000 0.459 415 I N 1.139 121.490 120.570 -0.365 0.000 2.202 415 I HA -0.160 4.010 4.170 -0.000 0.000 0.242 415 I C 2.034 177.911 176.117 -0.400 0.000 1.091 415 I CA 1.178 62.132 61.300 -0.576 0.000 1.368 415 I CB -0.266 37.002 38.000 -1.220 0.000 1.058 415 I HN 0.215 nan 8.210 nan 0.000 0.410 416 L N 0.002 121.026 121.223 -0.332 0.000 2.156 416 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 416 L C 2.521 179.333 176.870 -0.097 0.000 1.095 416 L CA 1.353 56.080 54.840 -0.187 0.000 0.770 416 L CB -0.396 41.589 42.059 -0.123 0.000 0.914 416 L HN 0.342 nan 8.230 nan 0.000 0.439 417 S N -0.572 115.069 115.700 -0.099 0.000 2.524 417 S HA 0.222 4.692 4.470 -0.000 0.000 0.216 417 S C 1.098 175.691 174.600 -0.010 0.000 0.987 417 S CA -0.025 58.148 58.200 -0.045 0.000 0.909 417 S CB -0.116 63.052 63.200 -0.053 0.000 0.781 417 S HN 0.176 nan 8.310 nan 0.000 0.521 418 A N 1.929 124.748 122.820 -0.001 0.000 2.540 418 A HA 0.451 4.771 4.320 -0.000 0.000 0.239 418 A C 0.201 177.814 177.584 0.048 0.000 1.061 418 A CA -0.205 51.861 52.037 0.049 0.000 0.758 418 A CB -0.032 19.038 19.000 0.117 0.000 0.991 418 A HN 0.403 nan 8.150 nan 0.000 0.502 419 V N 3.615 123.552 119.914 0.038 0.000 2.408 419 V HA 0.392 4.511 4.120 -0.000 0.000 0.267 419 V C 1.359 177.443 176.094 -0.017 0.000 1.047 419 V CA 0.125 62.430 62.300 0.008 0.000 0.937 419 V CB 0.531 32.360 31.823 0.010 0.000 0.999 419 V HN 1.129 nan 8.190 nan 0.000 0.472 420 G N 4.442 113.195 108.800 -0.079 0.000 2.554 420 G HA2 0.351 4.310 3.960 -0.000 0.000 0.238 420 G HA3 0.351 4.310 3.960 -0.000 0.000 0.238 420 G C -0.046 174.643 174.900 -0.351 0.000 1.259 420 G CA -0.352 44.604 45.100 -0.239 0.000 0.843 420 G HN 0.728 nan 8.290 nan 0.000 0.582 421 L N 1.264 122.134 121.223 -0.588 0.000 3.083 421 L HA 0.229 4.569 4.340 -0.000 0.000 0.286 421 L C 1.473 177.874 176.870 -0.782 0.000 1.307 421 L CA -0.081 54.466 54.840 -0.488 0.000 0.897 421 L CB 0.539 42.382 42.059 -0.359 0.000 1.306 421 L HN 0.677 nan 8.230 nan 0.000 0.569 422 E N 1.021 120.530 120.200 -1.152 0.000 2.209 422 E HA -0.220 4.130 4.350 -0.000 0.000 0.196 422 E C 1.980 178.295 176.600 -0.474 0.000 0.993 422 E CA 0.861 56.547 56.400 -1.191 0.000 0.819 422 E CB 0.140 29.346 29.700 -0.823 0.000 0.745 422 E HN 0.415 nan 8.360 nan 0.000 0.477 423 K N 1.293 121.500 120.400 -0.321 0.000 2.209 423 K HA -0.124 4.196 4.320 -0.000 0.000 0.204 423 K C 0.031 176.582 176.600 -0.081 0.000 1.048 423 K CA 0.928 57.119 56.287 -0.160 0.000 0.940 423 K CB -0.250 32.171 32.500 -0.132 0.000 0.729 423 K HN -0.044 nan 8.250 nan 0.000 0.451 424 N N 1.987 120.643 118.700 -0.075 0.000 2.421 424 N HA 0.128 4.868 4.740 -0.000 0.000 0.260 424 N C 0.427 176.065 175.510 0.214 0.000 1.173 424 N CA 0.382 53.462 53.050 0.051 0.000 0.960 424 N CB 1.218 39.684 38.487 -0.035 0.000 1.273 424 N HN 0.293 nan 8.380 nan 0.000 0.497 425 A N 1.869 124.774 122.820 0.142 0.000 2.070 425 A HA -0.189 4.131 4.320 -0.000 0.000 0.220 425 A C 1.613 179.295 177.584 0.164 0.000 1.159 425 A CA 1.248 53.382 52.037 0.162 0.000 0.656 425 A CB -0.197 18.851 19.000 0.080 0.000 0.800 425 A HN 0.646 nan 8.150 nan 0.000 0.453 426 D N -0.378 120.112 120.400 0.149 0.000 2.378 426 D HA -0.001 4.639 4.640 -0.000 0.000 0.222 426 D C 1.457 177.768 176.300 0.019 0.000 0.980 426 D CA 0.999 55.041 54.000 0.069 0.000 0.907 426 D CB -0.927 39.904 40.800 0.051 0.000 0.899 426 D HN 0.285 nan 8.370 nan 0.000 0.527 427 G N 0.118 109.021 108.800 0.172 0.000 2.650 427 G HA2 -0.166 3.793 3.960 -0.000 0.000 0.214 427 G HA3 -0.166 3.793 3.960 -0.000 0.000 0.214 427 G C 0.085 174.693 174.900 -0.487 0.000 1.136 427 G CA 0.116 45.117 45.100 -0.165 0.000 0.789 427 G HN 0.115 nan 8.290 nan 0.000 0.536 428 D N -0.442 119.851 120.400 -0.179 0.000 2.740 428 D HA -0.127 4.512 4.640 -0.000 0.000 0.231 428 D C -0.222 175.982 176.300 -0.160 0.000 1.194 428 D CA 0.641 54.561 54.000 -0.132 0.000 0.673 428 D CB -1.288 39.404 40.800 -0.180 0.000 0.995 428 D HN 0.516 nan 8.370 nan 0.000 0.411 429 W N 0.334 121.618 121.300 -0.026 0.000 2.181 429 W HA 0.334 4.994 4.660 -0.000 0.000 0.335 429 W C 1.386 177.905 176.519 0.001 0.000 1.310 429 W CA -0.095 57.236 57.345 -0.023 0.000 1.226 429 W CB 0.558 30.003 29.460 -0.025 0.000 1.155 429 W HN -0.073 nan 8.180 nan 0.000 0.565 430 R N 1.490 122.142 120.500 0.253 0.000 2.725 430 R HA 0.225 4.565 4.340 -0.000 0.000 0.277 430 R C -0.812 175.615 176.300 0.212 0.000 0.987 430 R CA -0.934 55.278 56.100 0.186 0.000 0.901 430 R CB 1.260 31.640 30.300 0.133 0.000 1.207 430 R HN 0.302 nan 8.270 nan 0.000 0.463 431 D N 0.711 121.206 120.400 0.159 0.000 2.449 431 D HA 0.086 4.726 4.640 -0.000 0.000 0.236 431 D C 0.001 176.404 176.300 0.172 0.000 1.149 431 D CA 0.753 54.845 54.000 0.153 0.000 0.878 431 D CB 0.899 41.763 40.800 0.106 0.000 1.198 431 D HN 0.508 nan 8.370 nan 0.000 0.446 432 S N -0.667 115.154 115.700 0.202 0.000 2.704 432 S HA 0.636 5.106 4.470 -0.000 0.000 0.296 432 S C 0.168 174.882 174.600 0.191 0.000 1.138 432 S CA -0.570 57.762 58.200 0.220 0.000 0.875 432 S CB 1.775 65.195 63.200 0.366 0.000 1.151 432 S HN 0.328 nan 8.310 nan 0.000 0.500 433 A N 0.429 123.365 122.820 0.194 0.000 2.302 433 A HA 0.328 4.648 4.320 -0.000 0.000 0.219 433 A C 0.904 178.586 177.584 0.163 0.000 1.243 433 A CA -0.021 52.115 52.037 0.165 0.000 0.856 433 A CB -0.717 18.384 19.000 0.167 0.000 0.893 433 A HN 0.662 nan 8.150 nan 0.000 0.491 434 M N -0.917 118.786 119.600 0.172 0.000 2.475 434 M HA 0.209 4.689 4.480 -0.000 0.000 0.261 434 M C 1.295 177.647 176.300 0.087 0.000 1.177 434 M CA 0.316 55.670 55.300 0.091 0.000 0.979 434 M CB -0.739 31.818 32.600 -0.073 0.000 1.482 434 M HN 0.693 nan 8.290 nan 0.000 0.484 435 G N 2.398 111.263 108.800 0.109 0.000 2.168 435 G HA2 -0.279 3.680 3.960 -0.000 0.000 0.257 435 G HA3 -0.279 3.680 3.960 -0.000 0.000 0.257 435 G C 0.150 175.106 174.900 0.093 0.000 0.997 435 G CA 1.010 46.163 45.100 0.088 0.000 0.708 435 G HN 0.556 nan 8.290 nan 0.000 0.520 436 K N -1.426 119.061 120.400 0.145 0.000 2.579 436 K HA 0.609 4.929 4.320 -0.000 0.000 0.284 436 K C -0.564 176.193 176.600 0.262 0.000 0.990 436 K CA -1.272 55.112 56.287 0.162 0.000 0.880 436 K CB 1.264 33.863 32.500 0.165 0.000 1.488 436 K HN 0.052 nan 8.250 nan 0.000 0.425 437 K N 0.686 121.229 120.400 0.237 0.000 2.168 437 K HA 0.176 4.495 4.320 -0.000 0.000 0.258 437 K C -1.043 175.891 176.600 0.556 0.000 1.010 437 K CA -0.479 56.025 56.287 0.362 0.000 0.929 437 K CB 0.414 33.112 32.500 0.330 0.000 0.998 437 K HN 0.518 nan 8.250 nan 0.000 0.479 438 Y N -0.185 120.278 120.300 0.272 0.000 2.485 438 Y HA 0.306 4.856 4.550 -0.000 0.000 0.345 438 Y C -0.759 175.004 175.900 -0.228 0.000 0.998 438 Y CA -0.552 57.464 58.100 -0.140 0.000 1.059 438 Y CB 2.061 40.228 38.460 -0.488 0.000 1.234 438 Y HN 0.534 nan 8.280 nan 0.000 0.461 439 S N 3.887 118.640 115.700 -1.578 0.000 2.557 439 S HA 0.326 4.796 4.470 -0.000 0.000 0.291 439 S C 0.001 173.798 174.600 -1.339 0.000 1.116 439 S CA -0.595 56.762 58.200 -1.405 0.000 0.992 439 S CB 0.586 62.585 63.200 -2.003 0.000 1.028 439 S HN 0.956 nan 8.310 nan 0.000 0.484 440 H N 3.063 121.634 119.070 -0.832 0.000 2.521 440 H HA 0.020 4.576 4.556 -0.000 0.000 0.286 440 H C 2.036 177.087 175.328 -0.461 0.000 1.034 440 H CA 0.819 56.586 56.048 -0.469 0.000 1.278 440 H CB 0.399 30.029 29.762 -0.221 0.000 1.386 440 H HN 0.532 nan 8.280 nan 0.000 0.567 441 R N 0.289 120.474 120.500 -0.525 0.000 2.105 441 R HA -0.049 4.291 4.340 -0.000 0.000 0.214 441 R C 0.724 176.613 176.300 -0.684 0.000 1.091 441 R CA 0.617 56.321 56.100 -0.661 0.000 1.007 441 R CB 0.270 30.001 30.300 -0.949 0.000 0.912 441 R HN 0.221 nan 8.270 nan 0.000 0.450 442 Y N 0.214 120.204 120.300 -0.518 0.000 2.467 442 Y HA 0.321 4.870 4.550 -0.000 0.000 0.250 442 Y C 1.233 176.959 175.900 -0.290 0.000 1.155 442 Y CA 0.081 57.989 58.100 -0.320 0.000 1.249 442 Y CB 0.982 39.332 38.460 -0.183 0.000 1.146 442 Y HN 0.414 nan 8.280 nan 0.000 0.524 443 G N 1.058 109.618 108.800 -0.400 0.000 2.582 443 G HA2 -0.379 3.580 3.960 -0.000 0.000 0.288 443 G HA3 -0.379 3.580 3.960 -0.000 0.000 0.288 443 G C 0.450 175.129 174.900 -0.368 0.000 1.247 443 G CA 0.620 45.501 45.100 -0.365 0.000 0.972 443 G HN 0.297 nan 8.290 nan 0.000 0.557 444 F N 2.984 123.040 119.950 0.177 0.000 2.811 444 F HA 0.443 4.970 4.527 -0.000 0.000 0.301 444 F C 1.859 177.828 175.800 0.282 0.000 1.151 444 F CA 1.757 59.922 58.000 0.275 0.000 1.412 444 F CB 0.215 39.316 39.000 0.169 0.000 1.113 444 F HN 1.281 nan 8.300 nan 0.000 0.579 445 G N 0.346 109.383 108.800 0.395 0.000 2.315 445 G HA2 0.028 3.988 3.960 -0.000 0.000 0.296 445 G HA3 0.028 3.988 3.960 -0.000 0.000 0.296 445 G C -1.339 173.665 174.900 0.174 0.000 1.289 445 G CA -1.071 44.208 45.100 0.298 0.000 0.996 445 G HN 0.167 nan 8.290 nan 0.000 0.487 446 K N -0.295 120.158 120.400 0.087 0.000 2.144 446 K HA 0.728 5.047 4.320 -0.000 0.000 0.270 446 K C 0.243 176.854 176.600 0.019 0.000 1.005 446 K CA -0.841 55.455 56.287 0.016 0.000 0.932 446 K CB 1.764 34.233 32.500 -0.051 0.000 1.021 446 K HN 0.463 nan 8.250 nan 0.000 0.462 447 I N 2.231 122.795 120.570 -0.011 0.000 2.668 447 I HA -0.066 4.104 4.170 -0.000 0.000 0.285 447 I C 0.039 176.171 176.117 0.024 0.000 1.168 447 I CA 0.379 61.676 61.300 -0.004 0.000 1.424 447 I CB 0.237 38.209 38.000 -0.047 0.000 1.377 447 I HN 0.702 nan 8.210 nan 0.000 0.560 448 D N 5.958 126.374 120.400 0.027 0.000 2.471 448 D HA 0.373 5.013 4.640 -0.000 0.000 0.245 448 D C 0.506 176.820 176.300 0.024 0.000 1.116 448 D CA -0.421 53.605 54.000 0.043 0.000 0.853 448 D CB 1.997 42.828 40.800 0.052 0.000 1.123 448 D HN 0.589 nan 8.370 nan 0.000 0.540 449 A N 4.244 127.069 122.820 0.009 0.000 1.877 449 A HA -0.219 4.101 4.320 -0.000 0.000 0.216 449 A C 1.986 179.568 177.584 -0.003 0.000 1.186 449 A CA 1.206 53.232 52.037 -0.020 0.000 0.620 449 A CB -0.708 18.254 19.000 -0.063 0.000 0.822 449 A HN 0.822 nan 8.150 nan 0.000 0.443 450 H N 0.200 119.236 119.070 -0.056 0.000 2.319 450 H HA -0.086 4.470 4.556 -0.000 0.000 0.299 450 H C 1.904 177.224 175.328 -0.014 0.000 1.092 450 H CA 2.060 58.086 56.048 -0.038 0.000 1.302 450 H CB -0.031 29.708 29.762 -0.038 0.000 1.373 450 H HN 0.490 nan 8.280 nan 0.000 0.497 451 K N 0.035 120.484 120.400 0.081 0.000 2.097 451 K HA -0.134 4.186 4.320 -0.000 0.000 0.206 451 K C 2.342 178.924 176.600 -0.030 0.000 1.049 451 K CA 1.040 57.349 56.287 0.036 0.000 0.933 451 K CB -0.108 32.425 32.500 0.055 0.000 0.717 451 K HN 0.103 nan 8.250 nan 0.000 0.442 452 L N 1.221 122.425 121.223 -0.032 0.000 1.994 452 L HA -0.177 4.162 4.340 -0.000 0.000 0.208 452 L C 1.940 178.770 176.870 -0.065 0.000 1.071 452 L CA 1.603 56.416 54.840 -0.045 0.000 0.745 452 L CB -0.282 41.770 42.059 -0.012 0.000 0.892 452 L HN 0.026 nan 8.230 nan 0.000 0.431 453 I N -0.248 120.272 120.570 -0.083 0.000 2.315 453 I HA -0.215 3.954 4.170 -0.000 0.000 0.248 453 I C 2.475 178.526 176.117 -0.110 0.000 1.117 453 I CA 1.261 62.507 61.300 -0.091 0.000 1.404 453 I CB -0.576 37.361 38.000 -0.106 0.000 1.071 453 I HN 0.358 nan 8.210 nan 0.000 0.419 454 E N 0.516 120.611 120.200 -0.176 0.000 2.058 454 E HA -0.280 4.070 4.350 -0.000 0.000 0.194 454 E C 2.314 178.895 176.600 -0.032 0.000 0.997 454 E CA 1.722 58.044 56.400 -0.130 0.000 0.801 454 E CB -0.342 29.275 29.700 -0.138 0.000 0.746 454 E HN 0.396 nan 8.360 nan 0.000 0.450 455 M N 0.025 119.612 119.600 -0.022 0.000 2.213 455 M HA -0.176 4.304 4.480 -0.000 0.000 0.263 455 M C 2.074 178.414 176.300 0.067 0.000 1.062 455 M CA 1.899 57.214 55.300 0.025 0.000 1.105 455 M CB -0.188 32.400 32.600 -0.020 0.000 1.385 455 M HN 0.261 nan 8.290 nan 0.000 0.417 456 S N -0.114 115.591 115.700 0.008 0.000 2.447 456 S HA -0.138 4.331 4.470 -0.000 0.000 0.233 456 S C 1.631 176.295 174.600 0.106 0.000 1.006 456 S CA 1.067 59.297 58.200 0.049 0.000 0.957 456 S CB -0.469 62.728 63.200 -0.006 0.000 0.773 456 S HN 0.555 nan 8.310 nan 0.000 0.507 457 K N 0.963 121.404 120.400 0.067 0.000 2.147 457 K HA -0.041 4.279 4.320 -0.000 0.000 0.205 457 K C 1.610 178.258 176.600 0.080 0.000 1.049 457 K CA 1.606 57.929 56.287 0.060 0.000 0.936 457 K CB -0.286 32.233 32.500 0.031 0.000 0.722 457 K HN 0.748 nan 8.250 nan 0.000 0.446 458 T N -3.298 111.323 114.554 0.112 0.000 3.200 458 T HA 0.054 4.404 4.350 -0.000 0.000 0.284 458 T C -0.210 174.569 174.700 0.132 0.000 1.009 458 T CA -0.744 61.412 62.100 0.094 0.000 0.907 458 T CB -0.155 68.752 68.868 0.065 0.000 1.120 458 T HN 0.222 nan 8.240 nan 0.000 0.534 459 W N 3.322 124.609 121.300 -0.022 0.000 2.303 459 W HA 0.244 4.904 4.660 -0.000 0.000 0.318 459 W C -0.832 175.660 176.519 -0.045 0.000 1.362 459 W CA -0.119 57.206 57.345 -0.034 0.000 1.234 459 W CB 0.625 30.066 29.460 -0.032 0.000 1.248 459 W HN 0.209 nan 8.180 nan 0.000 0.546 460 E N 5.008 124.770 120.200 -0.730 0.000 2.167 460 E HA 0.049 4.399 4.350 -0.000 0.000 0.284 460 E C -0.065 176.022 176.600 -0.855 0.000 1.016 460 E CA -0.590 55.447 56.400 -0.606 0.000 0.817 460 E CB 0.593 29.995 29.700 -0.496 0.000 1.080 460 E HN 0.343 nan 8.360 nan 0.000 0.397 461 N N 1.473 119.959 118.700 -0.356 0.000 2.356 461 N HA -0.048 4.692 4.740 -0.000 0.000 0.252 461 N C 0.250 175.598 175.510 -0.269 0.000 1.241 461 N CA 0.071 53.023 53.050 -0.163 0.000 0.861 461 N CB 0.465 38.940 38.487 -0.020 0.000 1.075 461 N HN 0.299 nan 8.380 nan 0.000 0.461 462 V N 0.540 120.320 119.914 -0.223 0.000 3.376 462 V HA 0.235 4.354 4.120 -0.000 0.000 0.303 462 V C 0.819 176.813 176.094 -0.165 0.000 1.100 462 V CA -0.878 61.255 62.300 -0.280 0.000 1.126 462 V CB 0.490 32.083 31.823 -0.383 0.000 1.085 462 V HN 0.458 nan 8.190 nan 0.000 0.480 463 N N 0.795 119.403 118.700 -0.154 0.000 2.371 463 N HA 0.396 5.136 4.740 -0.000 0.000 0.243 463 N C 0.297 175.765 175.510 -0.071 0.000 1.287 463 N CA 0.492 53.478 53.050 -0.107 0.000 0.911 463 N CB 0.419 38.837 38.487 -0.115 0.000 1.142 463 N HN 1.215 nan 8.380 nan 0.000 0.451 464 A N 0.503 123.297 122.820 -0.044 0.000 2.555 464 A HA -0.060 4.259 4.320 -0.000 0.000 0.233 464 A C 0.667 178.248 177.584 -0.005 0.000 1.060 464 A CA 0.043 52.080 52.037 -0.001 0.000 0.759 464 A CB -0.162 18.840 19.000 0.003 0.000 0.995 464 A HN 0.643 nan 8.150 nan 0.000 0.506 465 Q N 0.299 120.152 119.800 0.088 0.000 2.361 465 Q HA 0.314 4.654 4.340 -0.000 0.000 0.276 465 Q C 0.086 176.102 176.000 0.026 0.000 1.022 465 Q CA 0.726 56.625 55.803 0.160 0.000 0.898 465 Q CB 0.454 29.447 28.738 0.424 0.000 1.246 465 Q HN 0.839 nan 8.270 nan 0.000 0.410 466 T N 2.562 117.100 114.554 -0.028 0.000 2.838 466 T HA 0.762 5.112 4.350 -0.000 0.000 0.292 466 T C -2.075 172.659 174.700 0.058 0.000 1.113 466 T CA -0.597 61.275 62.100 -0.380 0.000 1.008 466 T CB 0.654 69.305 68.868 -0.361 0.000 1.259 466 T HN 0.687 nan 8.240 nan 0.000 0.520 467 W N 0.830 122.188 121.300 0.096 0.000 3.167 467 W HA 0.774 5.434 4.660 -0.000 0.000 0.324 467 W C -2.059 174.390 176.519 -0.117 0.000 1.230 467 W CA -1.413 55.889 57.345 -0.072 0.000 1.184 467 W CB 0.674 29.820 29.460 -0.523 0.000 1.414 467 W HN 0.559 nan 8.180 nan 0.000 0.551 468 F N 3.497 123.334 119.950 -0.188 0.000 2.500 468 F HA 0.533 5.060 4.527 -0.000 0.000 0.349 468 F C -1.253 174.454 175.800 -0.156 0.000 1.127 468 F CA -1.554 56.252 58.000 -0.323 0.000 0.998 468 F CB 0.729 39.324 39.000 -0.676 0.000 1.237 468 F HN 0.442 nan 8.300 nan 0.000 0.439 469 Y N 6.477 126.414 120.300 -0.605 0.000 2.326 469 Y HA 0.370 4.920 4.550 -0.000 0.000 0.337 469 Y C -0.036 175.436 175.900 -0.713 0.000 1.023 469 Y CA -1.408 56.375 58.100 -0.529 0.000 1.143 469 Y CB 1.112 39.378 38.460 -0.324 0.000 1.183 469 Y HN 0.226 nan 8.280 nan 0.000 0.485 470 L N 5.647 126.619 121.223 -0.418 0.000 2.439 470 L HA 0.359 4.699 4.340 -0.000 0.000 0.259 470 L C -1.964 174.690 176.870 -0.359 0.000 1.129 470 L CA -2.083 52.497 54.840 -0.434 0.000 0.803 470 L CB 0.497 42.306 42.059 -0.418 0.000 1.161 470 L HN 0.428 nan 8.230 nan 0.000 0.462 471 P HA 0.039 nan 4.420 nan 0.000 0.269 471 P C -0.487 176.594 177.300 -0.364 0.000 1.215 471 P CA -0.262 62.675 63.100 -0.271 0.000 0.780 471 P CB 0.188 31.763 31.700 -0.208 0.000 0.898 472 T N 2.761 117.113 114.554 -0.336 0.000 2.853 472 T HA 0.213 4.563 4.350 -0.000 0.000 0.298 472 T C 0.349 174.683 174.700 -0.610 0.000 0.978 472 T CA 0.146 61.948 62.100 -0.496 0.000 1.152 472 T CB -0.427 68.159 68.868 -0.470 0.000 0.914 472 T HN 0.178 nan 8.240 nan 0.000 0.539 473 L N 4.281 125.087 121.223 -0.695 0.000 2.280 473 L HA 0.437 4.777 4.340 -0.000 0.000 0.287 473 L C -0.683 175.886 176.870 -0.502 0.000 1.023 473 L CA -1.011 53.521 54.840 -0.515 0.000 0.819 473 L CB 0.385 42.147 42.059 -0.494 0.000 1.212 473 L HN 0.606 nan 8.230 nan 0.000 0.420 474 Y N 2.971 123.226 120.300 -0.075 0.000 2.350 474 Y HA 0.489 5.039 4.550 -0.000 0.000 0.340 474 Y C 0.455 176.315 175.900 -0.066 0.000 1.006 474 Y CA -0.880 57.190 58.100 -0.050 0.000 1.166 474 Y CB 1.331 39.774 38.460 -0.028 0.000 1.168 474 Y HN 0.378 nan 8.280 nan 0.000 0.502 475 V N -0.601 119.294 119.914 -0.032 0.000 2.919 475 V HA 0.709 4.829 4.120 -0.000 0.000 0.316 475 V C -0.228 175.829 176.094 -0.061 0.000 1.077 475 V CA -0.940 61.293 62.300 -0.112 0.000 0.977 475 V CB 2.087 33.709 31.823 -0.336 0.000 1.039 475 V HN 0.639 nan 8.190 nan 0.000 0.441 476 S N 2.736 118.420 115.700 -0.026 0.000 2.150 476 S HA 0.495 4.965 4.470 -0.000 0.000 0.171 476 S C -0.478 174.129 174.600 0.011 0.000 1.620 476 S CA -0.514 57.698 58.200 0.019 0.000 1.190 476 S CB -0.139 63.086 63.200 0.042 0.000 1.102 476 S HN 0.837 nan 8.310 nan 0.000 0.464 477 Q N 1.203 121.001 119.800 -0.004 0.000 2.356 477 Q HA 0.702 5.042 4.340 -0.000 0.000 0.270 477 Q C -0.950 175.089 176.000 0.064 0.000 1.058 477 Q CA -0.570 55.261 55.803 0.047 0.000 0.802 477 Q CB 2.371 31.164 28.738 0.092 0.000 1.303 477 Q HN 0.439 nan 8.270 nan 0.000 0.444 478 S N 0.980 116.716 115.700 0.061 0.000 2.541 478 S HA 0.743 5.213 4.470 -0.000 0.000 0.271 478 S C -1.478 173.153 174.600 0.052 0.000 1.133 478 S CA -0.298 57.934 58.200 0.053 0.000 0.876 478 S CB 2.194 65.419 63.200 0.043 0.000 1.105 478 S HN 0.569 nan 8.310 nan 0.000 0.470 479 T N 1.787 116.371 114.554 0.051 0.000 2.885 479 T HA 0.488 4.838 4.350 -0.000 0.000 0.322 479 T C -1.301 173.427 174.700 0.047 0.000 1.387 479 T CA -0.561 61.565 62.100 0.043 0.000 1.041 479 T CB 1.002 69.891 68.868 0.036 0.000 1.287 479 T HN 0.750 nan 8.240 nan 0.000 0.491 480 N N 1.096 119.821 118.700 0.042 0.000 2.299 480 N HA 0.227 4.967 4.740 -0.000 0.000 0.246 480 N C -0.644 174.884 175.510 0.031 0.000 1.254 480 N CA -0.468 52.612 53.050 0.050 0.000 0.879 480 N CB 0.898 39.420 38.487 0.058 0.000 1.214 480 N HN 0.317 nan 8.380 nan 0.000 0.510 481 S N -0.170 115.542 115.700 0.020 0.000 2.502 481 S HA 0.339 4.809 4.470 -0.000 0.000 0.304 481 S C 1.146 175.743 174.600 -0.004 0.000 1.097 481 S CA -0.219 57.984 58.200 0.005 0.000 1.045 481 S CB 1.074 64.278 63.200 0.006 0.000 1.019 481 S HN 0.291 nan 8.310 nan 0.000 0.481 482 T N 1.550 116.093 114.554 -0.018 0.000 3.007 482 T HA -0.002 4.348 4.350 -0.000 0.000 0.270 482 T C 1.007 175.695 174.700 -0.019 0.000 1.107 482 T CA 0.836 62.921 62.100 -0.025 0.000 1.118 482 T CB -0.254 68.592 68.868 -0.037 0.000 0.889 482 T HN 0.679 nan 8.240 nan 0.000 0.506 483 E N 1.400 121.592 120.200 -0.014 0.000 2.285 483 E HA 0.073 4.423 4.350 -0.000 0.000 0.194 483 E C 0.398 176.993 176.600 -0.007 0.000 0.997 483 E CA 0.513 56.906 56.400 -0.011 0.000 0.845 483 E CB 0.083 29.779 29.700 -0.007 0.000 0.782 483 E HN 0.758 nan 8.360 nan 0.000 0.491 484 E N 1.205 121.404 120.200 -0.003 0.000 2.156 484 E HA 0.244 4.594 4.350 -0.000 0.000 0.279 484 E C -0.800 175.799 176.600 -0.001 0.000 0.965 484 E CA -0.172 56.229 56.400 0.003 0.000 0.789 484 E CB 1.446 31.153 29.700 0.012 0.000 1.098 484 E HN -0.189 nan 8.360 nan 0.000 0.397 485 T N 3.700 118.252 114.554 -0.003 0.000 2.767 485 T HA 0.302 4.651 4.350 -0.000 0.000 0.284 485 T C 0.112 174.816 174.700 0.008 0.000 0.973 485 T CA -0.625 61.467 62.100 -0.013 0.000 0.996 485 T CB 0.354 69.208 68.868 -0.024 0.000 0.927 485 T HN 0.241 nan 8.240 nan 0.000 0.456 486 L N 4.829 126.059 121.223 0.012 0.000 2.283 486 L HA 0.417 4.756 4.340 -0.000 0.000 0.287 486 L C 0.795 177.709 176.870 0.073 0.000 1.073 486 L CA -0.444 54.447 54.840 0.085 0.000 0.822 486 L CB -0.001 42.160 42.059 0.169 0.000 1.186 486 L HN 0.718 nan 8.230 nan 0.000 0.436 487 E N 2.573 122.822 120.200 0.081 0.000 2.277 487 E HA 0.691 5.041 4.350 -0.000 0.000 0.266 487 E C -1.210 175.440 176.600 0.082 0.000 0.901 487 E CA -0.852 55.571 56.400 0.039 0.000 0.782 487 E CB 2.432 32.132 29.700 -0.000 0.000 1.228 487 E HN 0.310 nan 8.360 nan 0.000 0.424 488 S N 1.383 117.099 115.700 0.027 0.000 2.572 488 S HA 0.475 4.945 4.470 -0.000 0.000 0.274 488 S C -1.485 173.211 174.600 0.159 0.000 1.150 488 S CA -0.598 57.675 58.200 0.123 0.000 0.944 488 S CB 1.477 64.822 63.200 0.242 0.000 1.071 488 S HN 0.424 nan 8.310 nan 0.000 0.479 489 V N 5.696 125.757 119.914 0.246 0.000 2.680 489 V HA 0.694 4.814 4.120 -0.000 0.000 0.309 489 V C -0.230 176.049 176.094 0.309 0.000 1.052 489 V CA -0.775 61.683 62.300 0.263 0.000 0.908 489 V CB 1.436 33.350 31.823 0.151 0.000 1.001 489 V HN 0.889 nan 8.190 nan 0.000 0.431 490 I N 0.174 120.952 120.570 0.347 0.000 2.892 490 I HA 0.816 4.986 4.170 -0.000 0.000 0.306 490 I C -0.376 175.877 176.117 0.227 0.000 1.078 490 I CA -0.493 60.950 61.300 0.238 0.000 1.032 490 I CB 2.641 40.742 38.000 0.169 0.000 1.229 490 I HN 0.441 nan 8.210 nan 0.000 0.435 491 T N 5.121 119.769 114.554 0.157 0.000 2.771 491 T HA 0.600 4.950 4.350 -0.000 0.000 0.281 491 T C -0.182 174.601 174.700 0.137 0.000 0.982 491 T CA -0.222 61.966 62.100 0.147 0.000 0.978 491 T CB 0.940 69.864 68.868 0.093 0.000 0.930 491 T HN 0.364 nan 8.240 nan 0.000 0.447 492 I N 3.436 124.109 120.570 0.172 0.000 2.321 492 I HA 0.299 4.469 4.170 -0.000 0.000 0.291 492 I C 0.903 177.052 176.117 0.053 0.000 0.998 492 I CA -0.695 60.671 61.300 0.109 0.000 1.227 492 I CB 1.365 39.430 38.000 0.109 0.000 1.368 492 I HN 0.632 nan 8.210 nan 0.000 0.466 493 S N 3.844 119.555 115.700 0.018 0.000 2.601 493 S HA 0.178 4.648 4.470 -0.000 0.000 0.271 493 S C 0.918 175.493 174.600 -0.042 0.000 1.305 493 S CA -0.560 57.640 58.200 0.000 0.000 1.022 493 S CB 1.899 65.103 63.200 0.008 0.000 0.940 493 S HN 0.770 nan 8.310 nan 0.000 0.525 494 E N 1.298 121.483 120.200 -0.026 0.000 2.085 494 E HA -0.227 4.122 4.350 -0.000 0.000 0.194 494 E C 1.933 178.504 176.600 -0.049 0.000 0.994 494 E CA 1.201 57.580 56.400 -0.035 0.000 0.801 494 E CB -0.134 29.559 29.700 -0.013 0.000 0.743 494 E HN 0.743 nan 8.360 nan 0.000 0.453 495 K N 0.835 121.216 120.400 -0.031 0.000 2.057 495 K HA -0.166 4.154 4.320 -0.000 0.000 0.207 495 K C 2.244 178.823 176.600 -0.036 0.000 1.049 495 K CA 1.793 58.065 56.287 -0.025 0.000 0.931 495 K CB -0.348 32.147 32.500 -0.009 0.000 0.714 495 K HN 0.187 nan 8.250 nan 0.000 0.440 496 S N 1.065 116.738 115.700 -0.046 0.000 2.368 496 S HA -0.138 4.331 4.470 -0.000 0.000 0.225 496 S C 2.285 176.788 174.600 -0.163 0.000 1.030 496 S CA 1.136 59.316 58.200 -0.033 0.000 0.999 496 S CB -0.591 62.630 63.200 0.034 0.000 0.844 496 S HN 0.367 nan 8.310 nan 0.000 0.459 497 L N 0.875 121.901 121.223 -0.329 0.000 2.093 497 L HA -0.071 4.268 4.340 -0.000 0.000 0.208 497 L C 3.155 179.957 176.870 -0.114 0.000 1.085 497 L CA 1.404 56.002 54.840 -0.405 0.000 0.755 497 L CB -0.604 41.241 42.059 -0.356 0.000 0.904 497 L HN 0.404 nan 8.230 nan 0.000 0.435 498 Q N -0.141 119.618 119.800 -0.067 0.000 2.046 498 Q HA -0.212 4.128 4.340 -0.000 0.000 0.200 498 Q C 1.788 177.778 176.000 -0.017 0.000 0.975 498 Q CA 1.556 57.343 55.803 -0.027 0.000 0.836 498 Q CB -0.092 28.632 28.738 -0.024 0.000 0.896 498 Q HN 0.424 nan 8.270 nan 0.000 0.428 499 D N 0.426 120.818 120.400 -0.013 0.000 2.178 499 D HA -0.115 4.525 4.640 -0.000 0.000 0.201 499 D C 1.282 177.592 176.300 0.018 0.000 0.980 499 D CA 1.222 55.224 54.000 0.003 0.000 0.842 499 D CB -0.086 40.722 40.800 0.014 0.000 0.948 499 D HN 0.259 nan 8.370 nan 0.000 0.472 500 A N 0.177 123.022 122.820 0.041 0.000 2.238 500 A HA 0.021 4.341 4.320 -0.000 0.000 0.208 500 A C 0.932 178.542 177.584 0.044 0.000 1.177 500 A CA 0.532 52.618 52.037 0.083 0.000 0.804 500 A CB -0.453 18.702 19.000 0.258 0.000 0.823 500 A HN 0.214 nan 8.150 nan 0.000 0.482 501 N N -2.698 116.010 118.700 0.014 0.000 2.776 501 N HA -0.224 4.516 4.740 -0.000 0.000 0.250 501 N C -0.542 174.964 175.510 -0.005 0.000 1.112 501 N CA 0.814 53.852 53.050 -0.020 0.000 0.733 501 N CB -2.331 36.117 38.487 -0.064 0.000 1.097 501 N HN 0.485 nan 8.380 nan 0.000 0.558 502 F N 0.948 120.827 119.950 -0.119 0.000 2.361 502 F HA 0.373 4.900 4.527 -0.000 0.000 0.364 502 F C 1.320 177.058 175.800 -0.104 0.000 1.120 502 F CA -0.550 57.377 58.000 -0.121 0.000 1.102 502 F CB 0.887 39.790 39.000 -0.161 0.000 1.183 502 F HN 0.057 nan 8.300 nan 0.000 0.476 503 K N 5.403 125.559 120.400 -0.406 0.000 2.078 503 K HA 0.136 4.456 4.320 -0.000 0.000 0.203 503 K C -0.215 176.261 176.600 -0.205 0.000 1.043 503 K CA 0.666 56.814 56.287 -0.231 0.000 0.960 503 K CB 0.362 32.740 32.500 -0.204 0.000 0.761 503 K HN 0.795 nan 8.250 nan 0.000 0.448 504 R N -0.422 119.802 120.500 -0.459 0.000 2.664 504 R HA 0.313 4.653 4.340 -0.000 0.000 0.266 504 R C -1.103 175.040 176.300 -0.262 0.000 1.046 504 R CA -0.806 55.195 56.100 -0.164 0.000 0.885 504 R CB 0.424 30.705 30.300 -0.033 0.000 1.254 504 R HN -0.082 nan 8.270 nan 0.000 0.465 505 I N 1.984 122.607 120.570 0.088 0.000 2.634 505 I HA 0.041 4.211 4.170 -0.000 0.000 0.284 505 I C 0.767 176.683 176.117 -0.335 0.000 1.124 505 I CA 0.299 61.670 61.300 0.118 0.000 1.417 505 I CB 1.106 39.276 38.000 0.283 0.000 1.396 505 I HN 0.762 nan 8.210 nan 0.000 0.571 506 E N 3.226 123.084 120.200 -0.570 0.000 2.225 506 E HA 0.151 4.501 4.350 -0.000 0.000 0.202 506 E C -0.440 175.534 176.600 -1.042 0.000 0.987 506 E CA -0.212 55.166 56.400 -1.702 0.000 1.010 506 E CB 0.213 28.857 29.700 -1.761 0.000 1.464 506 E HN 0.570 nan 8.360 nan 0.000 0.508 507 H N -0.240 118.617 119.070 -0.355 0.000 2.483 507 H HA 0.478 5.034 4.556 -0.000 0.000 0.338 507 H C -0.849 174.607 175.328 0.213 0.000 1.152 507 H CA -0.635 55.427 56.048 0.024 0.000 1.264 507 H CB 1.416 31.174 29.762 -0.006 0.000 1.510 507 H HN -0.074 nan 8.280 nan 0.000 0.530 508 V N 1.715 121.840 119.914 0.352 0.000 2.656 508 V HA 0.438 4.558 4.120 -0.000 0.000 0.307 508 V C -0.177 176.061 176.094 0.241 0.000 1.051 508 V CA -0.774 61.689 62.300 0.272 0.000 0.893 508 V CB 1.976 33.922 31.823 0.205 0.000 0.999 508 V HN 1.061 nan 8.190 nan 0.000 0.426 509 T N 1.376 116.051 114.554 0.201 0.000 2.887 509 T HA 0.840 5.189 4.350 -0.000 0.000 0.288 509 T C -1.008 173.731 174.700 0.064 0.000 1.021 509 T CA -0.758 61.411 62.100 0.115 0.000 1.000 509 T CB 1.874 70.790 68.868 0.080 0.000 1.034 509 T HN 0.353 nan 8.240 nan 0.000 0.467 510 V N 2.482 122.452 119.914 0.093 0.000 2.482 510 V HA 0.476 4.596 4.120 -0.000 0.000 0.295 510 V C -0.024 176.123 176.094 0.088 0.000 1.026 510 V CA -0.750 61.634 62.300 0.140 0.000 0.856 510 V CB 1.879 33.858 31.823 0.260 0.000 1.001 510 V HN 1.147 nan 8.190 nan 0.000 0.424 511 T N 4.989 119.556 114.554 0.021 0.000 2.767 511 T HA 0.609 4.959 4.350 -0.000 0.000 0.288 511 T C -0.178 174.582 174.700 0.101 0.000 0.963 511 T CA -0.355 61.723 62.100 -0.036 0.000 1.019 511 T CB 1.352 70.149 68.868 -0.119 0.000 0.923 511 T HN 0.720 nan 8.240 nan 0.000 0.468 512 V N 0.442 120.435 119.914 0.133 0.000 2.823 512 V HA 0.781 4.901 4.120 -0.000 0.000 0.312 512 V C -1.083 175.178 176.094 0.279 0.000 1.072 512 V CA -1.120 61.335 62.300 0.258 0.000 0.937 512 V CB 2.247 34.214 31.823 0.239 0.000 1.013 512 V HN 0.684 nan 8.190 nan 0.000 0.430 513 D N 3.275 123.887 120.400 0.354 0.000 2.461 513 D HA 0.597 5.237 4.640 -0.000 0.000 0.240 513 D C -0.872 175.712 176.300 0.473 0.000 1.094 513 D CA -0.172 54.058 54.000 0.382 0.000 0.868 513 D CB 0.856 41.864 40.800 0.346 0.000 1.062 513 D HN 0.687 nan 8.370 nan 0.000 0.530 514 I N 2.826 123.655 120.570 0.433 0.000 2.468 514 I HA 0.240 4.410 4.170 -0.000 0.000 0.285 514 I C -0.326 175.987 176.117 0.328 0.000 1.039 514 I CA -0.909 60.607 61.300 0.360 0.000 1.074 514 I CB 1.918 40.106 38.000 0.313 0.000 1.228 514 I HN 0.100 nan 8.210 nan 0.000 0.436 515 D N 4.571 125.117 120.400 0.244 0.000 2.302 515 D HA 0.394 5.034 4.640 -0.000 0.000 0.248 515 D C -0.020 176.360 176.300 0.134 0.000 1.094 515 D CA 0.265 54.383 54.000 0.196 0.000 0.897 515 D CB 1.873 42.816 40.800 0.239 0.000 1.200 515 D HN 0.581 nan 8.370 nan 0.000 0.429 516 T N -1.765 112.840 114.554 0.084 0.000 2.921 516 T HA 0.305 4.654 4.350 -0.000 0.000 0.297 516 T C 0.725 175.426 174.700 0.002 0.000 1.013 516 T CA -0.828 61.306 62.100 0.056 0.000 0.990 516 T CB 1.892 70.790 68.868 0.049 0.000 1.023 516 T HN 0.185 nan 8.240 nan 0.000 0.447 517 E N 1.681 121.875 120.200 -0.010 0.000 2.110 517 E HA 0.021 4.371 4.350 -0.000 0.000 0.193 517 E C 0.314 176.838 176.600 -0.126 0.000 0.988 517 E CA 0.841 57.203 56.400 -0.063 0.000 0.804 517 E CB 0.128 29.784 29.700 -0.072 0.000 0.745 517 E HN 0.528 nan 8.360 nan 0.000 0.458 518 I N 0.599 121.087 120.570 -0.137 0.000 2.531 518 I HA 0.144 4.314 4.170 -0.000 0.000 0.283 518 I C 0.731 176.826 176.117 -0.037 0.000 1.083 518 I CA -0.196 61.008 61.300 -0.160 0.000 1.071 518 I CB 1.574 39.336 38.000 -0.396 0.000 1.210 518 I HN -0.034 nan 8.210 nan 0.000 0.450 519 R N 4.012 124.476 120.500 -0.059 0.000 2.092 519 R HA -0.059 4.281 4.340 -0.000 0.000 0.231 519 R C 1.841 178.183 176.300 0.069 0.000 1.119 519 R CA 1.826 57.899 56.100 -0.045 0.000 0.970 519 R CB 0.120 30.278 30.300 -0.236 0.000 0.864 519 R HN 0.814 nan 8.270 nan 0.000 0.440 520 G N -0.700 108.119 108.800 0.032 0.000 2.509 520 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.218 520 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.218 520 G C 1.043 175.996 174.900 0.089 0.000 1.124 520 G CA 1.071 46.197 45.100 0.045 0.000 0.776 520 G HN 0.504 nan 8.290 nan 0.000 0.547 521 T N -1.653 112.980 114.554 0.133 0.000 3.244 521 T HA 0.298 4.648 4.350 -0.000 0.000 0.254 521 T C 0.372 175.147 174.700 0.125 0.000 1.024 521 T CA -0.202 61.978 62.100 0.133 0.000 0.920 521 T CB 0.285 69.279 68.868 0.211 0.000 1.042 521 T HN -0.041 nan 8.240 nan 0.000 0.572 522 T N 3.224 117.879 114.554 0.168 0.000 2.770 522 T HA 0.558 4.908 4.350 -0.000 0.000 0.283 522 T C 0.081 174.855 174.700 0.123 0.000 0.988 522 T CA -0.704 61.500 62.100 0.173 0.000 0.957 522 T CB 1.533 70.596 68.868 0.325 0.000 0.930 522 T HN 0.515 nan 8.240 nan 0.000 0.443 523 T N -0.187 114.367 114.554 0.000 0.000 2.918 523 T HA 0.786 5.136 4.350 -0.000 0.000 0.286 523 T C -0.593 173.984 174.700 -0.204 0.000 1.026 523 T CA -0.798 61.254 62.100 -0.080 0.000 1.031 523 T CB 1.380 70.203 68.868 -0.075 0.000 1.046 523 T HN 0.309 nan 8.240 nan 0.000 0.479 524 V N 2.345 122.080 119.914 -0.299 0.000 2.567 524 V HA 0.453 4.573 4.120 -0.000 0.000 0.298 524 V C -1.289 174.609 176.094 -0.328 0.000 1.047 524 V CA -0.844 61.221 62.300 -0.390 0.000 0.880 524 V CB 1.694 33.180 31.823 -0.562 0.000 1.009 524 V HN 0.967 nan 8.190 nan 0.000 0.429 525 D N 3.293 123.549 120.400 -0.240 0.000 2.342 525 D HA 0.673 5.313 4.640 -0.000 0.000 0.243 525 D C -0.879 175.354 176.300 -0.112 0.000 1.019 525 D CA -0.366 53.545 54.000 -0.147 0.000 0.864 525 D CB 2.920 43.655 40.800 -0.108 0.000 1.315 525 D HN 0.378 nan 8.370 nan 0.000 0.468 526 L N 2.075 123.299 121.223 0.002 0.000 2.333 526 L HA 0.527 4.867 4.340 -0.000 0.000 0.280 526 L C -1.167 175.791 176.870 0.147 0.000 1.004 526 L CA -0.421 54.472 54.840 0.088 0.000 0.820 526 L CB 1.159 43.343 42.059 0.210 0.000 1.247 526 L HN 0.318 nan 8.230 nan 0.000 0.416 527 I N 4.171 124.795 120.570 0.090 0.000 2.355 527 I HA 0.387 4.557 4.170 -0.000 0.000 0.288 527 I C 0.316 176.363 176.117 -0.117 0.000 0.999 527 I CA -0.509 60.809 61.300 0.030 0.000 1.163 527 I CB 1.772 39.763 38.000 -0.016 0.000 1.316 527 I HN 0.727 nan 8.210 nan 0.000 0.454 528 S N 6.032 121.565 115.700 -0.278 0.000 2.645 528 S HA 0.402 4.871 4.470 -0.000 0.000 0.266 528 S C -1.843 172.338 174.600 -0.699 0.000 1.258 528 S CA -1.038 56.574 58.200 -0.980 0.000 0.990 528 S CB 1.223 63.925 63.200 -0.830 0.000 0.967 528 S HN 0.355 nan 8.310 nan 0.000 0.556 529 P HA -0.079 nan 4.420 nan 0.000 0.216 529 P C 1.221 178.382 177.300 -0.231 0.000 1.154 529 P CA 2.087 64.930 63.100 -0.429 0.000 0.865 529 P CB -0.255 31.232 31.700 -0.356 0.000 0.789 530 A N -1.263 121.438 122.820 -0.198 0.000 2.235 530 A HA 0.345 4.665 4.320 -0.000 0.000 0.208 530 A C 1.657 179.207 177.584 -0.057 0.000 1.172 530 A CA 0.889 52.876 52.037 -0.083 0.000 0.786 530 A CB -1.422 17.562 19.000 -0.027 0.000 0.804 530 A HN 0.269 nan 8.150 nan 0.000 0.479 531 G N -0.859 107.888 108.800 -0.088 0.000 2.143 531 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.248 531 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.248 531 G C 0.090 174.990 174.900 0.000 0.000 0.991 531 G CA 0.293 45.367 45.100 -0.044 0.000 0.689 531 G HN 0.496 nan 8.290 nan 0.000 0.522 532 I N 0.929 121.513 120.570 0.023 0.000 2.496 532 I HA 0.348 4.518 4.170 -0.000 0.000 0.285 532 I C 0.832 177.031 176.117 0.137 0.000 1.080 532 I CA -0.237 61.108 61.300 0.075 0.000 1.404 532 I CB 0.782 38.838 38.000 0.095 0.000 1.403 532 I HN 0.012 nan 8.210 nan 0.000 0.539 533 I N 5.558 126.186 120.570 0.097 0.000 2.378 533 I HA 0.246 4.416 4.170 -0.000 0.000 0.291 533 I C -0.155 176.054 176.117 0.153 0.000 0.992 533 I CA -0.260 61.112 61.300 0.119 0.000 1.154 533 I CB 1.612 39.640 38.000 0.047 0.000 1.315 533 I HN 0.472 nan 8.210 nan 0.000 0.448 534 S N 4.775 120.606 115.700 0.218 0.000 2.442 534 S HA 0.326 4.796 4.470 -0.000 0.000 0.297 534 S C -0.229 174.485 174.600 0.191 0.000 1.131 534 S CA -0.728 57.635 58.200 0.271 0.000 1.092 534 S CB 0.612 63.978 63.200 0.277 0.000 0.998 534 S HN 0.530 nan 8.310 nan 0.000 0.478 535 N N 3.121 121.971 118.700 0.249 0.000 2.482 535 N HA 0.250 4.990 4.740 -0.000 0.000 0.242 535 N C 0.682 176.198 175.510 0.009 0.000 1.100 535 N CA -0.188 52.858 53.050 -0.006 0.000 0.946 535 N CB 0.501 38.867 38.487 -0.203 0.000 1.227 535 N HN 0.493 nan 8.380 nan 0.000 0.508 536 L N 0.406 121.518 121.223 -0.186 0.000 2.071 536 L HA 0.197 4.536 4.340 -0.000 0.000 0.201 536 L C 1.402 177.814 176.870 -0.765 0.000 1.076 536 L CA 0.333 54.900 54.840 -0.455 0.000 0.755 536 L CB -0.191 41.470 42.059 -0.663 0.000 0.915 536 L HN 0.445 nan 8.230 nan 0.000 0.445 537 G N 0.291 108.609 108.800 -0.802 0.000 2.368 537 G HA2 0.524 4.483 3.960 -0.000 0.000 0.320 537 G HA3 0.524 4.483 3.960 -0.000 0.000 0.320 537 G C -0.879 173.984 174.900 -0.062 0.000 1.158 537 G CA -0.179 44.661 45.100 -0.433 0.000 0.912 537 G HN -0.022 nan 8.290 nan 0.000 0.456 538 V N 0.414 120.437 119.914 0.181 0.000 3.046 538 V HA 0.723 4.843 4.120 -0.000 0.000 0.316 538 V C 0.175 176.314 176.094 0.075 0.000 1.104 538 V CA -1.173 61.173 62.300 0.076 0.000 1.006 538 V CB 1.627 33.480 31.823 0.049 0.000 1.058 538 V HN 0.514 nan 8.190 nan 0.000 0.440 539 V N 2.851 122.774 119.914 0.015 0.000 2.493 539 V HA 0.267 4.386 4.120 -0.000 0.000 0.292 539 V C 0.632 176.703 176.094 -0.039 0.000 1.016 539 V CA 0.310 62.612 62.300 0.003 0.000 1.097 539 V CB -0.115 31.701 31.823 -0.011 0.000 0.947 539 V HN 0.878 nan 8.190 nan 0.000 0.479 540 R N 5.821 126.284 120.500 -0.061 0.000 2.363 540 R HA 0.275 4.615 4.340 -0.000 0.000 0.297 540 R C -2.067 174.196 176.300 -0.061 0.000 1.208 540 R CA -1.626 54.406 56.100 -0.114 0.000 1.121 540 R CB 1.467 31.617 30.300 -0.250 0.000 1.124 540 R HN 0.467 nan 8.270 nan 0.000 0.561 541 P HA -0.153 nan 4.420 nan 0.000 0.217 541 P C 0.694 177.986 177.300 -0.015 0.000 1.148 541 P CA 1.229 64.320 63.100 -0.015 0.000 0.828 541 P CB 0.264 31.956 31.700 -0.013 0.000 0.783 542 R N -1.239 119.244 120.500 -0.028 0.000 2.240 542 R HA 0.018 4.358 4.340 -0.000 0.000 0.203 542 R C 0.554 176.831 176.300 -0.038 0.000 1.011 542 R CA 0.243 56.328 56.100 -0.025 0.000 1.007 542 R CB -0.481 29.808 30.300 -0.018 0.000 0.911 542 R HN 0.168 nan 8.270 nan 0.000 0.468 543 D N 1.279 121.646 120.400 -0.056 0.000 2.344 543 D HA 0.006 4.646 4.640 -0.000 0.000 0.253 543 D C 0.612 176.874 176.300 -0.063 0.000 1.255 543 D CA -0.092 53.862 54.000 -0.076 0.000 0.894 543 D CB 1.323 42.059 40.800 -0.107 0.000 1.067 543 D HN -0.014 nan 8.370 nan 0.000 0.492 544 V N 1.784 121.655 119.914 -0.072 0.000 3.121 544 V HA 0.282 4.402 4.120 -0.000 0.000 0.344 544 V C 0.676 176.711 176.094 -0.099 0.000 1.390 544 V CA -0.732 61.523 62.300 -0.076 0.000 1.177 544 V CB -0.121 31.666 31.823 -0.061 0.000 1.163 544 V HN 0.374 nan 8.190 nan 0.000 0.484 545 S N 1.690 117.321 115.700 -0.116 0.000 2.549 545 S HA 0.227 4.697 4.470 -0.000 0.000 0.283 545 S C 1.360 175.886 174.600 -0.123 0.000 1.320 545 S CA 0.488 58.610 58.200 -0.130 0.000 1.058 545 S CB 1.039 64.136 63.200 -0.171 0.000 0.882 545 S HN 1.042 nan 8.310 nan 0.000 0.498 546 S N 2.934 118.573 115.700 -0.102 0.000 2.605 546 S HA 0.219 4.688 4.470 -0.000 0.000 0.217 546 S C 0.818 175.375 174.600 -0.071 0.000 0.958 546 S CA -0.251 57.902 58.200 -0.080 0.000 0.919 546 S CB -0.134 63.029 63.200 -0.061 0.000 0.780 546 S HN 0.825 nan 8.310 nan 0.000 0.507 547 E N 1.249 121.387 120.200 -0.103 0.000 2.385 547 E HA 0.294 4.644 4.350 -0.000 0.000 0.194 547 E C 1.348 177.886 176.600 -0.105 0.000 1.013 547 E CA 0.148 56.493 56.400 -0.092 0.000 0.866 547 E CB -0.100 29.535 29.700 -0.108 0.000 0.832 547 E HN 0.685 nan 8.360 nan 0.000 0.500 548 G N 1.322 110.015 108.800 -0.178 0.000 2.645 548 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.246 548 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.246 548 G C -0.572 174.112 174.900 -0.361 0.000 1.322 548 G CA -0.374 44.606 45.100 -0.200 0.000 0.898 548 G HN 0.191 nan 8.290 nan 0.000 0.573 549 F N 1.190 121.179 119.950 0.065 0.000 2.308 549 F HA 0.510 5.037 4.527 -0.000 0.000 0.370 549 F C 0.641 176.516 175.800 0.126 0.000 1.100 549 F CA -0.669 57.371 58.000 0.067 0.000 1.108 549 F CB 1.887 40.948 39.000 0.101 0.000 1.293 549 F HN 0.016 nan 8.300 nan 0.000 0.478 550 K N 3.688 124.228 120.400 0.233 0.000 2.290 550 K HA 0.168 4.488 4.320 -0.000 0.000 0.250 550 K C -0.401 176.308 176.600 0.181 0.000 1.092 550 K CA -0.292 56.108 56.287 0.188 0.000 1.006 550 K CB 0.227 32.794 32.500 0.111 0.000 1.549 550 K HN 0.594 nan 8.250 nan 0.000 0.436 551 D N 0.668 121.180 120.400 0.187 0.000 2.699 551 D HA -0.231 4.409 4.640 -0.000 0.000 0.239 551 D C -0.425 175.928 176.300 0.088 0.000 1.136 551 D CA 0.713 54.779 54.000 0.110 0.000 0.668 551 D CB -0.698 40.134 40.800 0.053 0.000 1.060 551 D HN 0.599 nan 8.370 nan 0.000 0.429 552 W N 0.958 122.221 121.300 -0.063 0.000 2.272 552 W HA 0.283 4.943 4.660 -0.000 0.000 0.318 552 W C -0.400 175.921 176.519 -0.330 0.000 1.255 552 W CA -0.023 57.203 57.345 -0.199 0.000 1.200 552 W CB 0.973 30.309 29.460 -0.207 0.000 1.170 552 W HN -0.143 nan 8.180 nan 0.000 0.549 553 T N 7.608 121.442 114.554 -1.200 0.000 2.743 553 T HA 0.317 4.667 4.350 -0.000 0.000 0.292 553 T C -0.429 173.639 174.700 -1.053 0.000 0.972 553 T CA -0.146 61.428 62.100 -0.875 0.000 0.967 553 T CB 0.236 68.742 68.868 -0.603 0.000 0.926 553 T HN 0.178 nan 8.240 nan 0.000 0.459 554 F N 2.678 122.427 119.950 -0.336 0.000 2.378 554 F HA 0.616 5.143 4.527 0.000 0.000 0.325 554 F C 0.618 176.361 175.800 -0.095 0.000 1.097 554 F CA -1.028 56.894 58.000 -0.130 0.000 1.079 554 F CB 1.085 40.072 39.000 -0.021 0.000 1.240 554 F HN 0.146 nan 8.300 nan 0.000 0.519 555 M N 1.944 121.660 119.600 0.194 0.000 2.501 555 M HA 0.438 4.918 4.480 -0.000 0.000 0.293 555 M C -1.534 174.862 176.300 0.160 0.000 1.192 555 M CA -0.269 55.107 55.300 0.126 0.000 0.886 555 M CB 2.173 34.793 32.600 0.032 0.000 1.710 555 M HN 0.561 nan 8.290 nan 0.000 0.457 556 S N 1.822 117.633 115.700 0.184 0.000 2.548 556 S HA 0.600 5.070 4.470 -0.000 0.000 0.276 556 S C 0.096 174.794 174.600 0.164 0.000 1.129 556 S CA -0.544 57.739 58.200 0.139 0.000 0.931 556 S CB 1.446 64.751 63.200 0.175 0.000 1.068 556 S HN 0.697 nan 8.310 nan 0.000 0.480 557 V N 2.767 122.707 119.914 0.043 0.000 3.621 557 V HA 0.474 4.594 4.120 -0.000 0.000 0.285 557 V C 1.787 177.806 176.094 -0.125 0.000 1.346 557 V CA 0.922 63.305 62.300 0.138 0.000 1.104 557 V CB -0.437 31.548 31.823 0.270 0.000 0.913 557 V HN 0.845 nan 8.190 nan 0.000 0.432 558 A N 0.117 122.604 122.820 -0.555 0.000 2.067 558 A HA -0.115 4.205 4.320 -0.000 0.000 0.219 558 A C 1.855 179.203 177.584 -0.393 0.000 1.158 558 A CA 1.577 53.111 52.037 -0.839 0.000 0.661 558 A CB -0.837 17.673 19.000 -0.818 0.000 0.801 558 A HN 0.770 nan 8.150 nan 0.000 0.452 559 H N -2.760 116.373 119.070 0.105 0.000 2.529 559 H HA 0.002 4.558 4.556 -0.000 0.000 0.277 559 H C -0.001 175.471 175.328 0.240 0.000 1.004 559 H CA -0.481 55.690 56.048 0.204 0.000 1.167 559 H CB -0.188 29.763 29.762 0.315 0.000 1.445 559 H HN 0.628 nan 8.280 nan 0.000 0.554 560 W N 2.194 123.557 121.300 0.104 0.000 2.295 560 W HA 0.121 4.781 4.660 -0.000 0.000 0.335 560 W C 1.042 177.581 176.519 0.033 0.000 1.351 560 W CA 2.480 59.830 57.345 0.008 0.000 1.273 560 W CB 0.221 29.600 29.460 -0.134 0.000 1.214 560 W HN 0.573 nan 8.180 nan 0.000 0.563 561 G N 3.285 112.224 108.800 0.232 0.000 2.241 561 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.244 561 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.244 561 G C 0.286 175.294 174.900 0.180 0.000 0.998 561 G CA 0.123 45.359 45.100 0.228 0.000 0.621 561 G HN 0.561 nan 8.290 nan 0.000 0.519 562 E N 0.857 121.181 120.200 0.207 0.000 2.404 562 E HA 0.269 4.619 4.350 -0.000 0.000 0.261 562 E C 1.296 178.023 176.600 0.212 0.000 1.074 562 E CA 0.213 56.735 56.400 0.204 0.000 0.917 562 E CB 0.321 30.172 29.700 0.252 0.000 0.965 562 E HN 0.479 nan 8.360 nan 0.000 0.433 563 N N 1.409 120.220 118.700 0.184 0.000 2.392 563 N HA 0.013 4.753 4.740 -0.000 0.000 0.177 563 N C 1.102 176.771 175.510 0.265 0.000 1.066 563 N CA 0.759 53.930 53.050 0.202 0.000 0.895 563 N CB 0.639 39.200 38.487 0.122 0.000 0.988 563 N HN 0.701 nan 8.380 nan 0.000 0.457 564 G N -0.800 108.173 108.800 0.287 0.000 2.213 564 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.236 564 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.236 564 G C -0.301 174.798 174.900 0.332 0.000 0.991 564 G CA 0.141 45.474 45.100 0.389 0.000 0.629 564 G HN 0.311 nan 8.290 nan 0.000 0.517 565 V N 1.503 121.508 119.914 0.152 0.000 2.521 565 V HA 0.598 4.718 4.120 -0.000 0.000 0.286 565 V C 1.213 177.349 176.094 0.071 0.000 1.034 565 V CA 1.371 63.724 62.300 0.088 0.000 1.045 565 V CB 0.383 32.229 31.823 0.039 0.000 0.974 565 V HN 2.040 nan 8.190 nan 0.000 0.480 566 G N 4.777 113.630 108.800 0.088 0.000 2.306 566 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.262 566 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.262 566 G C -1.410 173.541 174.900 0.085 0.000 1.263 566 G CA -0.684 44.439 45.100 0.038 0.000 1.088 566 G HN 0.597 nan 8.290 nan 0.000 0.489 567 D N 0.252 120.651 120.400 -0.002 0.000 2.225 567 D HA 0.570 5.209 4.640 -0.000 0.000 0.248 567 D C -0.779 175.499 176.300 -0.037 0.000 1.096 567 D CA 0.345 54.382 54.000 0.061 0.000 0.863 567 D CB 0.806 41.630 40.800 0.040 0.000 1.156 567 D HN 0.419 nan 8.370 nan 0.000 0.450 568 W N 1.641 122.997 121.300 0.094 0.000 2.529 568 W HA 0.377 5.037 4.660 0.000 0.000 0.321 568 W C 0.372 176.972 176.519 0.135 0.000 1.047 568 W CA -0.971 56.442 57.345 0.114 0.000 1.216 568 W CB 1.432 30.997 29.460 0.174 0.000 1.357 568 W HN 0.087 nan 8.180 nan 0.000 0.489 569 K N 4.231 124.765 120.400 0.224 0.000 2.345 569 K HA 0.665 4.985 4.320 -0.000 0.000 0.255 569 K C -1.448 175.087 176.600 -0.108 0.000 0.934 569 K CA -0.626 55.695 56.287 0.058 0.000 0.801 569 K CB 1.649 34.159 32.500 0.016 0.000 1.137 569 K HN 0.661 nan 8.250 nan 0.000 0.424 570 I N 3.420 123.752 120.570 -0.396 0.000 2.412 570 I HA 0.371 4.540 4.170 -0.000 0.000 0.296 570 I C -1.242 174.672 176.117 -0.338 0.000 0.987 570 I CA -0.700 60.289 61.300 -0.518 0.000 1.180 570 I CB 1.055 38.392 38.000 -1.104 0.000 1.340 570 I HN 0.652 nan 8.210 nan 0.000 0.455 571 K N 6.433 126.665 120.400 -0.281 0.000 2.376 571 K HA 0.597 4.917 4.320 -0.000 0.000 0.257 571 K C -1.567 174.860 176.600 -0.288 0.000 0.939 571 K CA -0.665 55.491 56.287 -0.218 0.000 0.809 571 K CB 2.520 34.936 32.500 -0.140 0.000 1.121 571 K HN 0.298 nan 8.250 nan 0.000 0.425 572 V N 3.362 123.094 119.914 -0.302 0.000 2.487 572 V HA 0.428 4.548 4.120 -0.000 0.000 0.298 572 V C -0.537 175.451 176.094 -0.176 0.000 1.028 572 V CA -0.841 61.251 62.300 -0.348 0.000 0.860 572 V CB 1.571 32.998 31.823 -0.661 0.000 0.991 572 V HN 0.694 nan 8.190 nan 0.000 0.427 573 K N 1.534 121.856 120.400 -0.129 0.000 2.443 573 K HA 0.719 5.039 4.320 -0.000 0.000 0.251 573 K C -0.836 175.749 176.600 -0.025 0.000 0.972 573 K CA -0.721 55.527 56.287 -0.064 0.000 0.833 573 K CB 2.463 34.926 32.500 -0.062 0.000 1.317 573 K HN 0.620 nan 8.250 nan 0.000 0.441 574 T N 0.009 114.561 114.554 -0.003 0.000 2.829 574 T HA 0.218 4.568 4.350 -0.000 0.000 0.280 574 T C 0.626 175.322 174.700 -0.007 0.000 0.999 574 T CA -0.479 61.635 62.100 0.024 0.000 0.983 574 T CB 0.949 69.850 68.868 0.055 0.000 0.968 574 T HN 0.725 nan 8.240 nan 0.000 0.446 575 T N 0.955 115.502 114.554 -0.012 0.000 3.069 575 T HA 0.361 4.711 4.350 -0.000 0.000 0.252 575 T C 0.073 174.712 174.700 -0.101 0.000 1.053 575 T CA -0.208 61.865 62.100 -0.045 0.000 0.964 575 T CB 0.232 69.082 68.868 -0.030 0.000 1.005 575 T HN 0.474 nan 8.240 nan 0.000 0.532 576 E N 1.987 122.082 120.200 -0.174 0.000 2.256 576 E HA 0.387 4.737 4.350 -0.000 0.000 0.268 576 E C -1.026 175.409 176.600 -0.275 0.000 0.877 576 E CA -0.758 55.442 56.400 -0.334 0.000 0.757 576 E CB 1.471 30.735 29.700 -0.726 0.000 1.183 576 E HN 0.142 nan 8.360 nan 0.000 0.418 577 N N 0.485 119.084 118.700 -0.168 0.000 2.458 577 N HA 0.119 4.858 4.740 -0.000 0.000 0.258 577 N C 1.174 176.663 175.510 -0.035 0.000 1.219 577 N CA 1.483 54.489 53.050 -0.074 0.000 0.902 577 N CB 0.761 39.220 38.487 -0.046 0.000 1.076 577 N HN 0.844 nan 8.380 nan 0.000 0.455 578 G N 1.132 109.957 108.800 0.042 0.000 2.176 578 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.253 578 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.253 578 G C -0.186 174.852 174.900 0.230 0.000 0.979 578 G CA -0.110 45.056 45.100 0.110 0.000 0.641 578 G HN 0.803 nan 8.290 nan 0.000 0.530 579 H N 0.745 119.822 119.070 0.012 0.000 2.908 579 H HA 0.351 4.907 4.556 -0.000 0.000 0.269 579 H C 0.891 176.233 175.328 0.022 0.000 1.303 579 H CA -0.717 55.341 56.048 0.015 0.000 1.341 579 H CB 0.521 30.291 29.762 0.015 0.000 1.519 579 H HN 0.318 nan 8.280 nan 0.000 0.505 580 R N 3.750 124.317 120.500 0.113 0.000 2.491 580 R HA 0.211 4.550 4.340 -0.000 0.000 0.283 580 R C -0.330 176.016 176.300 0.077 0.000 1.072 580 R CA -0.257 55.891 56.100 0.080 0.000 1.048 580 R CB 0.325 30.660 30.300 0.058 0.000 0.983 580 R HN 0.617 nan 8.270 nan 0.000 0.450 581 I N 0.186 120.800 120.570 0.073 0.000 2.608 581 I HA 0.487 4.656 4.170 -0.000 0.000 0.295 581 I C -1.254 174.895 176.117 0.053 0.000 1.049 581 I CA -0.894 60.451 61.300 0.075 0.000 1.063 581 I CB 2.594 40.642 38.000 0.080 0.000 1.248 581 I HN 0.438 nan 8.210 nan 0.000 0.424 582 D N 6.012 126.426 120.400 0.023 0.000 2.440 582 D HA 0.218 4.858 4.640 -0.000 0.000 0.252 582 D C -1.375 174.791 176.300 -0.223 0.000 1.180 582 D CA -0.136 53.801 54.000 -0.104 0.000 0.894 582 D CB 2.117 42.842 40.800 -0.126 0.000 1.111 582 D HN 0.389 nan 8.370 nan 0.000 0.544 583 F N 3.851 123.650 119.950 -0.251 0.000 2.404 583 F HA 0.155 4.682 4.527 -0.000 0.000 0.359 583 F C 0.963 176.673 175.800 -0.149 0.000 1.134 583 F CA -0.302 57.608 58.000 -0.150 0.000 1.160 583 F CB 0.270 39.240 39.000 -0.051 0.000 1.186 583 F HN 0.356 nan 8.300 nan 0.000 0.526 584 H N 2.685 121.913 119.070 0.263 0.000 2.418 584 H HA 0.184 4.740 4.556 -0.000 0.000 0.300 584 H C 0.506 175.838 175.328 0.007 0.000 1.041 584 H CA 1.103 57.217 56.048 0.110 0.000 1.364 584 H CB 0.360 30.235 29.762 0.188 0.000 1.439 584 H HN 0.479 nan 8.280 nan 0.000 0.540 585 S N -0.473 115.322 115.700 0.159 0.000 2.578 585 S HA 0.396 4.866 4.470 -0.000 0.000 0.272 585 S C -1.742 173.077 174.600 0.366 0.000 1.145 585 S CA -1.116 57.109 58.200 0.042 0.000 0.835 585 S CB 2.173 65.295 63.200 -0.131 0.000 1.104 585 S HN 0.424 nan 8.310 nan 0.000 0.458 586 W N 0.923 122.209 121.300 -0.022 0.000 3.033 586 W HA 0.783 5.443 4.660 -0.000 0.000 0.336 586 W C -1.317 175.144 176.519 -0.096 0.000 1.173 586 W CA -1.040 56.346 57.345 0.068 0.000 1.185 586 W CB 1.459 31.064 29.460 0.242 0.000 1.425 586 W HN 1.043 nan 8.180 nan 0.000 0.536 587 R N 3.431 123.875 120.500 -0.093 0.000 2.468 587 R HA 0.429 4.768 4.340 -0.000 0.000 0.302 587 R C -1.606 174.550 176.300 -0.240 0.000 1.041 587 R CA -0.789 55.113 56.100 -0.330 0.000 0.899 587 R CB 1.578 31.706 30.300 -0.287 0.000 1.167 587 R HN 0.551 nan 8.270 nan 0.000 0.483 588 L N 4.020 125.015 121.223 -0.380 0.000 2.349 588 L HA 0.374 4.714 4.340 -0.000 0.000 0.275 588 L C -0.906 175.782 176.870 -0.304 0.000 1.115 588 L CA 0.553 55.233 54.840 -0.267 0.000 0.820 588 L CB 0.776 42.611 42.059 -0.373 0.000 1.135 588 L HN 0.542 nan 8.230 nan 0.000 0.445 589 K N 5.439 125.700 120.400 -0.231 0.000 2.443 589 K HA 0.530 4.850 4.320 -0.000 0.000 0.252 589 K C -1.593 174.907 176.600 -0.166 0.000 0.933 589 K CA -0.873 55.277 56.287 -0.228 0.000 0.792 589 K CB 1.944 34.235 32.500 -0.349 0.000 1.185 589 K HN 0.276 nan 8.250 nan 0.000 0.425 590 L N 3.655 124.767 121.223 -0.185 0.000 2.282 590 L HA 0.488 4.828 4.340 -0.000 0.000 0.288 590 L C -0.865 176.022 176.870 0.028 0.000 1.033 590 L CA -0.253 54.537 54.840 -0.084 0.000 0.807 590 L CB 0.231 42.093 42.059 -0.329 0.000 1.209 590 L HN 0.485 nan 8.230 nan 0.000 0.423 591 F N 1.490 121.664 119.950 0.373 0.000 2.480 591 F HA 0.826 5.353 4.527 -0.000 0.000 0.329 591 F C 0.854 176.837 175.800 0.305 0.000 1.091 591 F CA -0.231 58.032 58.000 0.438 0.000 0.972 591 F CB 2.173 41.371 39.000 0.330 0.000 1.150 591 F HN 0.541 nan 8.300 nan 0.000 0.467 592 G N 1.242 110.239 108.800 0.328 0.000 2.428 592 G HA2 0.255 4.215 3.960 -0.000 0.000 0.305 592 G HA3 0.255 4.215 3.960 -0.000 0.000 0.305 592 G C -1.921 172.833 174.900 -0.243 0.000 1.260 592 G CA -0.866 44.145 45.100 -0.148 0.000 0.853 592 G HN 0.522 nan 8.290 nan 0.000 0.480 593 E N 0.423 120.407 120.200 -0.359 0.000 2.259 593 E HA 0.480 4.830 4.350 -0.000 0.000 0.281 593 E C 0.708 177.093 176.600 -0.358 0.000 1.027 593 E CA -0.248 56.005 56.400 -0.245 0.000 0.838 593 E CB 0.798 30.419 29.700 -0.132 0.000 1.066 593 E HN 0.610 nan 8.360 nan 0.000 0.401 594 S N 3.664 119.223 115.700 -0.235 0.000 2.585 594 S HA 0.126 4.596 4.470 -0.000 0.000 0.273 594 S C 1.290 175.788 174.600 -0.170 0.000 1.339 594 S CA -0.588 57.485 58.200 -0.211 0.000 1.028 594 S CB 0.797 63.901 63.200 -0.161 0.000 0.906 594 S HN 0.617 nan 8.310 nan 0.000 0.528 595 I N 0.375 120.861 120.570 -0.140 0.000 2.202 595 I HA -0.021 4.149 4.170 -0.000 0.000 0.242 595 I C 0.752 176.815 176.117 -0.090 0.000 1.091 595 I CA 1.206 62.444 61.300 -0.103 0.000 1.368 595 I CB -0.076 37.880 38.000 -0.074 0.000 1.058 595 I HN 0.643 nan 8.210 nan 0.000 0.410 596 D N -0.537 119.812 120.400 -0.085 0.000 2.542 596 D HA 0.197 4.837 4.640 -0.000 0.000 0.252 596 D C 0.557 176.812 176.300 -0.076 0.000 1.222 596 D CA -0.153 53.803 54.000 -0.073 0.000 0.895 596 D CB 1.800 42.564 40.800 -0.059 0.000 1.207 596 D HN -0.177 nan 8.370 nan 0.000 0.558 597 S N 1.433 117.091 115.700 -0.070 0.000 2.383 597 S HA -0.182 4.288 4.470 -0.000 0.000 0.229 597 S C 1.906 176.476 174.600 -0.050 0.000 1.030 597 S CA 1.697 59.861 58.200 -0.060 0.000 1.002 597 S CB -0.046 63.124 63.200 -0.048 0.000 0.829 597 S HN 0.694 nan 8.310 nan 0.000 0.467 598 S N 1.110 116.784 115.700 -0.044 0.000 2.474 598 S HA 0.044 4.514 4.470 -0.000 0.000 0.235 598 S C 1.314 175.890 174.600 -0.040 0.000 0.997 598 S CA 0.663 58.843 58.200 -0.034 0.000 0.949 598 S CB -0.259 62.923 63.200 -0.029 0.000 0.766 598 S HN 0.428 nan 8.310 nan 0.000 0.517 599 K N 1.893 122.261 120.400 -0.054 0.000 2.404 599 K HA 0.098 4.418 4.320 -0.000 0.000 0.194 599 K C 0.822 177.370 176.600 -0.085 0.000 1.023 599 K CA 0.504 56.754 56.287 -0.061 0.000 1.094 599 K CB 0.189 32.653 32.500 -0.061 0.000 0.841 599 K HN 0.672 nan 8.250 nan 0.000 0.523 600 T N 0.000 114.498 114.554 -0.093 0.000 3.816 600 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 600 T CA 0.000 62.018 62.100 -0.136 0.000 1.349 600 T CB 0.000 68.784 68.868 -0.140 0.000 0.612 600 T HN 0.000 nan 8.240 nan 0.000 0.658