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_A 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 GESIDSSKTE 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 0.000 176.906 176.870 0.060 0.000 1.165 122 L CA 0.000 54.863 54.840 0.039 0.000 0.813 122 L CB 0.000 42.075 42.059 0.027 0.000 0.961 123 P HA -0.083 nan 4.420 nan 0.000 0.216 123 P C 1.687 179.063 177.300 0.127 0.000 1.150 123 P CA 2.020 65.170 63.100 0.084 0.000 0.837 123 P CB 0.122 31.854 31.700 0.054 0.000 0.786 124 V N 1.010 120.984 119.914 0.100 0.000 2.358 124 V HA -0.184 3.939 4.120 0.006 0.000 0.246 124 V C 2.577 178.805 176.094 0.224 0.000 1.047 124 V CA 1.734 64.122 62.300 0.147 0.000 1.035 124 V CB -1.001 30.839 31.823 0.028 0.000 0.658 124 V HN 0.080 nan 8.190 nan 0.000 0.452 125 K N 0.066 120.550 120.400 0.140 0.000 2.148 125 K HA -0.175 4.149 4.320 0.006 0.000 0.204 125 K C 2.100 178.771 176.600 0.119 0.000 1.050 125 K CA 1.299 57.658 56.287 0.119 0.000 0.942 125 K CB -0.209 32.334 32.500 0.073 0.000 0.724 125 K HN 0.635 nan 8.250 nan 0.000 0.446 126 E N 0.787 121.065 120.200 0.129 0.000 2.047 126 E HA -0.130 4.223 4.350 0.006 0.000 0.191 126 E C 1.930 178.638 176.600 0.180 0.000 0.987 126 E CA 0.931 57.403 56.400 0.121 0.000 0.799 126 E CB 0.021 29.791 29.700 0.117 0.000 0.752 126 E HN 0.210 nan 8.360 nan 0.000 0.449 127 A N 1.246 124.242 122.820 0.294 0.000 1.908 127 A HA -0.247 4.077 4.320 0.006 0.000 0.218 127 A C 1.927 179.624 177.584 0.189 0.000 1.181 127 A CA 1.799 54.066 52.037 0.382 0.000 0.627 127 A CB -0.599 18.694 19.000 0.490 0.000 0.818 127 A HN 0.351 nan 8.150 nan 0.000 0.445 128 E N -0.430 119.858 120.200 0.147 0.000 2.118 128 E HA -0.213 4.140 4.350 0.006 0.000 0.195 128 E C 1.543 178.144 176.600 0.002 0.000 0.992 128 E CA 1.413 57.825 56.400 0.019 0.000 0.804 128 E CB -0.194 29.557 29.700 0.085 0.000 0.741 128 E HN 0.675 nan 8.360 nan 0.000 0.458 129 D N 0.224 120.645 120.400 0.036 0.000 2.091 129 D HA -0.077 4.566 4.640 0.006 0.000 0.199 129 D C 1.687 177.983 176.300 -0.005 0.000 0.980 129 D CA 0.982 54.987 54.000 0.009 0.000 0.831 129 D CB 0.111 40.917 40.800 0.010 0.000 0.987 129 D HN -0.039 nan 8.370 nan 0.000 0.460 130 K N -0.238 120.165 120.400 0.006 0.000 2.148 130 K HA 0.010 4.333 4.320 0.006 0.000 0.204 130 K C 1.172 177.791 176.600 0.032 0.000 1.050 130 K CA 0.716 56.983 56.287 -0.034 0.000 0.942 130 K CB 0.152 32.525 32.500 -0.210 0.000 0.724 130 K HN 0.200 nan 8.250 nan 0.000 0.446 131 L N 0.271 121.526 121.223 0.053 0.000 2.959 131 L HA 0.145 4.488 4.340 0.006 0.000 0.259 131 L C -0.256 176.534 176.870 -0.133 0.000 1.185 131 L CA -0.272 54.559 54.840 -0.016 0.000 0.998 131 L CB 0.586 42.635 42.059 -0.016 0.000 1.337 131 L HN -0.070 nan 8.230 nan 0.000 0.555 132 S N 1.179 116.821 115.700 -0.097 0.000 3.550 132 S HA -0.180 4.293 4.470 0.006 0.000 0.372 132 S C 0.237 174.731 174.600 -0.177 0.000 0.966 132 S CA 0.398 58.532 58.200 -0.110 0.000 1.229 132 S CB -1.677 61.469 63.200 -0.089 0.000 0.917 132 S HN 0.315 nan 8.310 nan 0.000 0.496 133 I N 2.457 122.894 120.570 -0.223 0.000 2.301 133 I HA 0.154 4.327 4.170 0.006 0.000 0.292 133 I C 1.132 177.149 176.117 -0.167 0.000 1.046 133 I CA -0.453 60.658 61.300 -0.314 0.000 1.282 133 I CB 0.638 38.263 38.000 -0.624 0.000 1.409 133 I HN 0.378 nan 8.210 nan 0.000 0.484 134 N N 3.269 121.895 118.700 -0.123 0.000 2.205 134 N HA 0.003 4.747 4.740 0.006 0.000 0.201 134 N C -0.311 175.184 175.510 -0.024 0.000 1.128 134 N CA -0.420 52.599 53.050 -0.052 0.000 0.867 134 N CB -0.142 38.322 38.487 -0.039 0.000 0.996 134 N HN 0.385 nan 8.380 nan 0.000 0.503 135 D N 2.908 123.281 120.400 -0.045 0.000 2.412 135 D HA 0.033 4.677 4.640 0.006 0.000 0.257 135 D C -1.298 175.027 176.300 0.041 0.000 1.217 135 D CA -0.988 53.009 54.000 -0.005 0.000 0.897 135 D CB 1.154 41.940 40.800 -0.023 0.000 1.132 135 D HN 0.207 nan 8.370 nan 0.000 0.493 136 P HA -0.151 nan 4.420 nan 0.000 0.220 136 P C 1.155 178.463 177.300 0.014 0.000 1.148 136 P CA 0.453 63.560 63.100 0.012 0.000 0.803 136 P CB 0.349 32.039 31.700 -0.016 0.000 0.782 137 L N -1.916 119.311 121.223 0.007 0.000 2.492 137 L HA 0.139 4.482 4.340 0.006 0.000 0.223 137 L C 2.184 179.077 176.870 0.038 0.000 1.132 137 L CA 0.551 55.390 54.840 -0.002 0.000 0.850 137 L CB -1.203 40.847 42.059 -0.015 0.000 0.966 137 L HN -0.235 nan 8.230 nan 0.000 0.454 138 F N 0.815 120.735 119.950 -0.050 0.000 2.126 138 F HA -0.254 4.277 4.527 0.005 0.000 0.299 138 F C 2.229 178.005 175.800 -0.041 0.000 1.096 138 F CA 1.857 59.833 58.000 -0.039 0.000 1.255 138 F CB -0.127 38.857 39.000 -0.026 0.000 0.997 138 F HN 0.202 nan 8.300 nan 0.000 0.479 139 E N -0.444 119.704 120.200 -0.087 0.000 2.401 139 E HA -0.176 4.177 4.350 0.006 0.000 0.199 139 E C 1.868 178.358 176.600 -0.183 0.000 1.023 139 E CA 0.575 56.883 56.400 -0.153 0.000 0.859 139 E CB -0.044 29.637 29.700 -0.032 0.000 0.780 139 E HN 0.490 nan 8.360 nan 0.000 0.523 140 R N -0.106 120.269 120.500 -0.209 0.000 2.365 140 R HA 0.105 4.448 4.340 0.006 0.000 0.223 140 R C 0.403 176.550 176.300 -0.256 0.000 0.899 140 R CA -0.001 55.930 56.100 -0.281 0.000 1.059 140 R CB 0.510 30.532 30.300 -0.463 0.000 1.086 140 R HN 0.058 nan 8.270 nan 0.000 0.522 141 Q N 1.569 121.202 119.800 -0.279 0.000 3.027 141 Q HA -0.006 4.337 4.340 0.006 0.000 0.260 141 Q C 0.417 176.092 176.000 -0.541 0.000 1.379 141 Q CA -0.259 55.316 55.803 -0.379 0.000 1.038 141 Q CB 0.085 28.596 28.738 -0.378 0.000 1.578 141 Q HN 0.484 nan 8.270 nan 0.000 0.571 142 W N 1.924 123.129 121.300 -0.160 0.000 2.387 142 W HA -0.215 4.448 4.660 0.006 0.000 0.272 142 W C 1.145 177.551 176.519 -0.189 0.000 1.224 142 W CA 1.115 58.367 57.345 -0.155 0.000 1.210 142 W CB -0.738 28.698 29.460 -0.040 0.000 1.125 142 W HN 0.620 nan 8.180 nan 0.000 0.572 143 H N 0.576 119.138 119.070 -0.846 0.000 2.491 143 H HA -0.033 4.526 4.556 0.005 0.000 0.290 143 H C 1.957 177.111 175.328 -0.289 0.000 1.050 143 H CA 1.329 56.961 56.048 -0.693 0.000 1.309 143 H CB -0.863 28.404 29.762 -0.826 0.000 1.392 143 H HN 0.263 nan 8.280 nan 0.000 0.554 144 L N 0.728 121.563 121.223 -0.647 0.000 2.130 144 L HA 0.115 4.458 4.340 0.006 0.000 0.200 144 L C 0.397 177.127 176.870 -0.233 0.000 1.075 144 L CA 0.351 54.986 54.840 -0.342 0.000 0.768 144 L CB 0.333 42.277 42.059 -0.191 0.000 0.933 144 L HN 0.016 nan 8.230 nan 0.000 0.451 145 V N 0.339 120.096 119.914 -0.262 0.000 2.524 145 V HA 0.289 4.412 4.120 0.006 0.000 0.297 145 V C -0.856 175.181 176.094 -0.095 0.000 1.035 145 V CA -0.765 61.444 62.300 -0.151 0.000 0.867 145 V CB 1.586 33.339 31.823 -0.117 0.000 1.004 145 V HN 0.163 nan 8.190 nan 0.000 0.426 146 N N 7.080 125.776 118.700 -0.005 0.000 2.527 146 N HA 0.372 5.116 4.740 0.006 0.000 0.236 146 N C -1.530 174.018 175.510 0.064 0.000 0.999 146 N CA -1.888 51.217 53.050 0.093 0.000 0.935 146 N CB 2.291 40.861 38.487 0.138 0.000 1.132 146 N HN 0.345 nan 8.380 nan 0.000 0.511 147 P HA 0.012 nan 4.420 nan 0.000 0.230 147 P C 1.007 178.316 177.300 0.015 0.000 1.168 147 P CA 0.465 63.578 63.100 0.022 0.000 0.793 147 P CB 0.732 32.436 31.700 0.007 0.000 0.851 148 S N -1.259 114.477 115.700 0.060 0.000 2.387 148 S HA 0.113 4.587 4.470 0.006 0.000 0.221 148 S C 0.393 174.917 174.600 -0.127 0.000 1.041 148 S CA 0.147 58.355 58.200 0.014 0.000 0.959 148 S CB -0.346 62.943 63.200 0.148 0.000 0.843 148 S HN -0.068 nan 8.310 nan 0.000 0.488 149 F N 2.777 122.709 119.950 -0.030 0.000 2.310 149 F HA 0.499 5.029 4.527 0.006 0.000 0.365 149 F C -2.620 173.160 175.800 -0.033 0.000 1.080 149 F CA -2.613 55.354 58.000 -0.054 0.000 1.187 149 F CB 1.022 39.953 39.000 -0.116 0.000 1.465 149 F HN 0.043 nan 8.300 nan 0.000 0.496 150 P HA 0.161 nan 4.420 nan 0.000 0.264 150 P C 0.921 178.257 177.300 0.059 0.000 1.193 150 P CA 1.020 64.142 63.100 0.037 0.000 0.763 150 P CB 0.832 32.530 31.700 -0.003 0.000 0.810 151 G N 2.245 111.075 108.800 0.050 0.000 2.241 151 G HA2 -0.262 3.702 3.960 0.006 0.000 0.244 151 G HA3 -0.262 3.702 3.960 0.006 0.000 0.244 151 G C 0.618 175.577 174.900 0.098 0.000 0.998 151 G CA 0.051 45.188 45.100 0.062 0.000 0.621 151 G HN 0.514 nan 8.290 nan 0.000 0.519 152 S N 2.315 118.071 115.700 0.092 0.000 3.983 152 S HA 0.502 4.975 4.470 0.006 0.000 0.194 152 S C -0.006 174.412 174.600 -0.303 0.000 1.464 152 S CA 0.558 58.788 58.200 0.051 0.000 1.021 152 S CB -0.089 63.144 63.200 0.056 0.000 1.424 152 S HN 0.907 nan 8.310 nan 0.000 0.473 153 D N -1.111 119.177 120.400 -0.187 0.000 2.677 153 D HA 0.213 4.856 4.640 0.006 0.000 0.298 153 D C 0.694 177.058 176.300 0.106 0.000 1.250 153 D CA -0.974 52.877 54.000 -0.248 0.000 0.888 153 D CB 0.108 40.830 40.800 -0.131 0.000 1.397 153 D HN 0.126 nan 8.370 nan 0.000 0.461 154 I N -2.942 117.691 120.570 0.105 0.000 3.444 154 I HA 0.206 4.379 4.170 0.006 0.000 0.287 154 I C 0.325 176.454 176.117 0.020 0.000 1.302 154 I CA -0.032 61.354 61.300 0.143 0.000 1.368 154 I CB -0.895 37.167 38.000 0.104 0.000 1.048 154 I HN 0.412 nan 8.210 nan 0.000 0.487 155 N N 0.789 119.469 118.700 -0.034 0.000 2.641 155 N HA -0.187 4.557 4.740 0.006 0.000 0.267 155 N C 0.254 175.675 175.510 -0.148 0.000 1.087 155 N CA 0.845 53.850 53.050 -0.074 0.000 0.731 155 N CB -0.959 37.525 38.487 -0.004 0.000 0.886 155 N HN 0.400 nan 8.380 nan 0.000 0.547 156 V N 1.834 121.554 119.914 -0.322 0.000 3.570 156 V HA 0.231 4.354 4.120 0.006 0.000 0.257 156 V C 2.000 177.650 176.094 -0.739 0.000 1.272 156 V CA 0.546 62.517 62.300 -0.550 0.000 1.079 156 V CB -0.032 31.311 31.823 -0.799 0.000 0.829 156 V HN 0.487 nan 8.190 nan 0.000 0.454 157 L N 0.161 121.005 121.223 -0.633 0.000 2.021 157 L HA -0.231 4.113 4.340 0.006 0.000 0.215 157 L C 2.291 178.711 176.870 -0.750 0.000 1.074 157 L CA 2.359 56.791 54.840 -0.679 0.000 0.760 157 L CB -0.747 41.014 42.059 -0.496 0.000 0.889 157 L HN 0.389 nan 8.230 nan 0.000 0.433 158 D N -0.185 119.979 120.400 -0.393 0.000 2.219 158 D HA -0.123 4.520 4.640 0.006 0.000 0.205 158 D C 2.379 178.723 176.300 0.074 0.000 0.970 158 D CA 1.023 54.956 54.000 -0.112 0.000 0.851 158 D CB 0.054 40.746 40.800 -0.180 0.000 0.943 158 D HN 0.349 nan 8.370 nan 0.000 0.488 159 L N -0.332 120.916 121.223 0.042 0.000 2.027 159 L HA -0.139 4.204 4.340 0.006 0.000 0.206 159 L C 2.612 179.588 176.870 0.178 0.000 1.074 159 L CA 0.821 55.714 54.840 0.089 0.000 0.745 159 L CB -0.441 41.619 42.059 0.001 0.000 0.898 159 L HN 0.114 nan 8.230 nan 0.000 0.433 160 W N -0.104 121.183 121.300 -0.021 0.000 2.338 160 W HA -0.202 4.461 4.660 0.005 0.000 0.304 160 W C 2.640 179.253 176.519 0.156 0.000 1.212 160 W CA 0.669 58.040 57.345 0.044 0.000 1.264 160 W CB -1.316 28.183 29.460 0.065 0.000 1.142 160 W HN 0.171 nan 8.180 nan 0.000 0.512 161 Y N -0.124 120.373 120.300 0.329 0.000 2.333 161 Y HA -0.169 4.384 4.550 0.006 0.000 0.290 161 Y C 1.963 177.958 175.900 0.158 0.000 1.144 161 Y CA 1.123 59.346 58.100 0.204 0.000 1.228 161 Y CB -1.584 36.966 38.460 0.150 0.000 0.985 161 Y HN 0.001 nan 8.280 nan 0.000 0.542 162 N N 0.267 119.150 118.700 0.304 0.000 2.313 162 N HA -0.029 4.715 4.740 0.006 0.000 0.207 162 N C -0.052 175.558 175.510 0.167 0.000 1.141 162 N CA 0.324 53.497 53.050 0.206 0.000 0.830 162 N CB -0.315 38.279 38.487 0.178 0.000 1.008 162 N HN 0.130 nan 8.380 nan 0.000 0.481 163 N N -0.134 118.683 118.700 0.194 0.000 2.776 163 N HA -0.160 4.583 4.740 0.006 0.000 0.249 163 N C -1.477 174.098 175.510 0.108 0.000 1.111 163 N CA 0.456 53.593 53.050 0.146 0.000 0.711 163 N CB -1.244 37.309 38.487 0.109 0.000 1.065 163 N HN 0.148 nan 8.380 nan 0.000 0.556 164 I N 1.204 121.854 120.570 0.134 0.000 2.307 164 I HA 0.278 4.451 4.170 0.006 0.000 0.289 164 I C 1.476 177.659 176.117 0.109 0.000 1.021 164 I CA 0.233 61.590 61.300 0.096 0.000 1.224 164 I CB 0.656 38.707 38.000 0.085 0.000 1.376 164 I HN 0.390 nan 8.210 nan 0.000 0.470 165 T N 0.035 114.572 114.554 -0.029 0.000 3.130 165 T HA 0.287 4.640 4.350 0.006 0.000 0.288 165 T C 1.037 175.592 174.700 -0.243 0.000 0.936 165 T CA 0.367 62.291 62.100 -0.294 0.000 0.897 165 T CB 0.608 69.157 68.868 -0.531 0.000 1.178 165 T HN 0.857 nan 8.240 nan 0.000 0.543 166 G N 1.578 110.332 108.800 -0.077 0.000 2.175 166 G HA2 0.034 3.998 3.960 0.006 0.000 0.244 166 G HA3 0.034 3.998 3.960 0.006 0.000 0.244 166 G C 0.398 175.283 174.900 -0.026 0.000 0.982 166 G CA -0.179 44.902 45.100 -0.032 0.000 0.641 166 G HN 1.349 nan 8.290 nan 0.000 0.527 167 A N -0.068 122.730 122.820 -0.037 0.000 2.520 167 A HA 0.622 4.946 4.320 0.006 0.000 0.245 167 A C 2.066 179.650 177.584 -0.000 0.000 1.072 167 A CA 2.076 54.104 52.037 -0.015 0.000 0.761 167 A CB -0.062 18.932 19.000 -0.011 0.000 1.004 167 A HN 2.391 nan 8.150 nan 0.000 0.499 168 G N 0.844 109.645 108.800 0.002 0.000 2.199 168 G HA2 -0.158 3.806 3.960 0.006 0.000 0.254 168 G HA3 -0.158 3.806 3.960 0.006 0.000 0.254 168 G C 0.176 175.077 174.900 0.002 0.000 0.982 168 G CA 0.208 45.310 45.100 0.004 0.000 0.632 168 G HN 1.495 nan 8.290 nan 0.000 0.529 169 V N 0.576 120.492 119.914 0.003 0.000 2.630 169 V HA 0.751 4.874 4.120 0.006 0.000 0.305 169 V C 0.302 176.392 176.094 -0.007 0.000 1.046 169 V CA -0.803 61.499 62.300 0.003 0.000 0.934 169 V CB 2.066 33.901 31.823 0.019 0.000 1.003 169 V HN 0.384 nan 8.190 nan 0.000 0.451 170 V N 2.596 122.496 119.914 -0.024 0.000 2.483 170 V HA 0.797 4.921 4.120 0.006 0.000 0.297 170 V C 0.123 176.175 176.094 -0.069 0.000 1.027 170 V CA -0.551 61.722 62.300 -0.045 0.000 0.855 170 V CB 1.509 33.292 31.823 -0.067 0.000 0.995 170 V HN 1.024 nan 8.190 nan 0.000 0.424 171 A N 3.752 126.546 122.820 -0.044 0.000 2.318 171 A HA 0.934 5.258 4.320 0.006 0.000 0.324 171 A C 0.066 177.616 177.584 -0.058 0.000 1.170 171 A CA -0.357 51.648 52.037 -0.053 0.000 0.810 171 A CB 1.343 20.353 19.000 0.018 0.000 1.198 171 A HN 1.331 nan 8.150 nan 0.000 0.484 172 A N 2.316 125.058 122.820 -0.129 0.000 2.276 172 A HA 0.665 4.988 4.320 0.006 0.000 0.316 172 A C -0.632 177.005 177.584 0.088 0.000 1.229 172 A CA -0.382 51.630 52.037 -0.042 0.000 0.851 172 A CB 0.040 18.940 19.000 -0.166 0.000 1.165 172 A HN 0.668 nan 8.150 nan 0.000 0.513 173 I N 2.874 123.534 120.570 0.150 0.000 2.297 173 I HA 0.225 4.399 4.170 0.006 0.000 0.291 173 I C -0.216 176.047 176.117 0.244 0.000 1.033 173 I CA 0.061 61.473 61.300 0.186 0.000 1.253 173 I CB 1.553 39.651 38.000 0.163 0.000 1.396 173 I HN 0.300 nan 8.210 nan 0.000 0.476 174 V N 6.706 126.810 119.914 0.317 0.000 2.334 174 V HA 0.436 4.559 4.120 0.006 0.000 0.267 174 V C 0.049 176.338 176.094 0.325 0.000 1.040 174 V CA 0.025 62.548 62.300 0.372 0.000 0.866 174 V CB 0.507 32.666 31.823 0.560 0.000 1.019 174 V HN 0.795 nan 8.190 nan 0.000 0.468 175 D N 2.689 123.171 120.400 0.137 0.000 4.512 175 D HA 0.073 4.716 4.640 0.006 0.000 0.329 175 D C -0.525 175.754 176.300 -0.035 0.000 1.683 175 D CA 0.042 54.083 54.000 0.068 0.000 0.980 175 D CB 1.385 42.301 40.800 0.194 0.000 1.476 175 D HN 0.542 nan 8.370 nan 0.000 0.668 176 D N 0.190 120.572 120.400 -0.029 0.000 2.388 176 D HA 0.435 5.079 4.640 0.006 0.000 0.221 176 D C 0.844 177.123 176.300 -0.036 0.000 1.133 176 D CA 0.333 54.290 54.000 -0.072 0.000 0.831 176 D CB 0.643 41.361 40.800 -0.136 0.000 0.962 176 D HN 0.701 nan 8.370 nan 0.000 0.502 177 G N -0.389 108.418 108.800 0.012 0.000 2.354 177 G HA2 0.209 4.172 3.960 0.006 0.000 0.582 177 G HA3 0.209 4.172 3.960 0.006 0.000 0.582 177 G C -2.055 172.877 174.900 0.054 0.000 1.316 177 G CA -0.639 44.477 45.100 0.028 0.000 0.995 177 G HN 0.465 nan 8.290 nan 0.000 0.573 178 L N 0.217 121.475 121.223 0.058 0.000 2.580 178 L HA 0.533 4.876 4.340 0.006 0.000 0.266 178 L C -1.219 175.612 176.870 -0.066 0.000 0.955 178 L CA -0.804 54.070 54.840 0.057 0.000 0.886 178 L CB 1.893 44.063 42.059 0.185 0.000 1.263 178 L HN 0.670 nan 8.230 nan 0.000 0.406 179 D N 3.783 124.098 120.400 -0.143 0.000 2.416 179 D HA 0.032 4.675 4.640 0.006 0.000 0.240 179 D C 0.726 176.803 176.300 -0.373 0.000 1.250 179 D CA 0.034 53.837 54.000 -0.330 0.000 0.967 179 D CB 0.377 41.046 40.800 -0.218 0.000 1.059 179 D HN 0.475 nan 8.370 nan 0.000 0.512 180 Y N 1.033 121.082 120.300 -0.418 0.000 2.616 180 Y HA 0.143 4.697 4.550 0.007 0.000 0.296 180 Y C 1.342 177.042 175.900 -0.333 0.000 1.154 180 Y CA 0.260 57.984 58.100 -0.627 0.000 1.325 180 Y CB -0.286 37.245 38.460 -1.548 0.000 1.007 180 Y HN 0.260 nan 8.280 nan 0.000 0.542 181 E N 0.469 120.402 120.200 -0.445 0.000 2.472 181 E HA -0.032 4.321 4.350 0.006 0.000 0.196 181 E C 0.279 176.762 176.600 -0.196 0.000 1.033 181 E CA -0.280 55.971 56.400 -0.249 0.000 0.886 181 E CB 0.066 29.590 29.700 -0.292 0.000 0.944 181 E HN 0.351 nan 8.360 nan 0.000 0.492 182 N N 1.877 120.467 118.700 -0.184 0.000 2.458 182 N HA -0.113 4.630 4.740 0.006 0.000 0.258 182 N C 0.914 176.328 175.510 -0.160 0.000 1.219 182 N CA 0.270 53.244 53.050 -0.127 0.000 0.902 182 N CB 1.207 39.681 38.487 -0.021 0.000 1.076 182 N HN -0.016 nan 8.380 nan 0.000 0.455 183 E N 2.693 122.662 120.200 -0.385 0.000 2.160 183 E HA -0.191 4.163 4.350 0.006 0.000 0.195 183 E C 0.362 176.854 176.600 -0.179 0.000 0.991 183 E CA 1.664 57.773 56.400 -0.485 0.000 0.810 183 E CB 0.046 29.059 29.700 -1.145 0.000 0.742 183 E HN 0.568 nan 8.360 nan 0.000 0.466 184 D N -1.318 119.115 120.400 0.055 0.000 2.349 184 D HA 0.087 4.731 4.640 0.006 0.000 0.215 184 D C 1.126 177.502 176.300 0.128 0.000 1.016 184 D CA 0.374 54.495 54.000 0.202 0.000 0.870 184 D CB 0.339 41.354 40.800 0.357 0.000 0.917 184 D HN 0.280 nan 8.370 nan 0.000 0.524 185 L N -0.147 121.128 121.223 0.087 0.000 2.749 185 L HA 0.149 4.493 4.340 0.006 0.000 0.242 185 L C 2.121 179.066 176.870 0.126 0.000 1.103 185 L CA -0.040 54.865 54.840 0.108 0.000 0.906 185 L CB 0.172 42.285 42.059 0.090 0.000 1.228 185 L HN -0.075 nan 8.230 nan 0.000 0.517 186 K N 0.425 120.865 120.400 0.068 0.000 2.057 186 K HA -0.177 4.146 4.320 0.006 0.000 0.207 186 K C 0.994 177.679 176.600 0.140 0.000 1.049 186 K CA 2.041 58.382 56.287 0.091 0.000 0.931 186 K CB -0.337 32.176 32.500 0.022 0.000 0.714 186 K HN 0.075 nan 8.250 nan 0.000 0.440 187 D N 0.786 121.245 120.400 0.098 0.000 2.144 187 D HA -0.080 4.564 4.640 0.006 0.000 0.200 187 D C 1.336 177.703 176.300 0.112 0.000 0.978 187 D CA 0.956 55.010 54.000 0.089 0.000 0.833 187 D CB -0.049 40.787 40.800 0.060 0.000 0.961 187 D HN 0.257 nan 8.370 nan 0.000 0.470 188 N N -0.566 118.215 118.700 0.136 0.000 2.280 188 N HA 0.039 4.783 4.740 0.006 0.000 0.192 188 N C 0.233 175.840 175.510 0.161 0.000 1.109 188 N CA -0.193 52.932 53.050 0.125 0.000 0.855 188 N CB 0.088 38.645 38.487 0.117 0.000 0.974 188 N HN 0.115 nan 8.380 nan 0.000 0.482 192 E N 0.647 120.772 120.200 -0.124 0.000 2.118 192 E HA -0.119 4.234 4.350 0.006 0.000 0.195 192 E C 1.584 178.233 176.600 0.081 0.000 0.992 192 E CA 1.554 57.950 56.400 -0.007 0.000 0.804 192 E CB -0.290 29.388 29.700 -0.036 0.000 0.741 192 E HN 0.542 nan 8.360 nan 0.000 0.458 193 G N -0.162 108.656 108.800 0.029 0.000 3.141 193 G HA2 0.066 4.030 3.960 0.006 0.000 0.218 193 G HA3 0.066 4.030 3.960 0.006 0.000 0.218 193 G C -0.015 175.084 174.900 0.332 0.000 1.170 193 G CA -0.159 45.030 45.100 0.148 0.000 0.769 193 G HN 0.048 nan 8.290 nan 0.000 0.546 194 S N -0.237 115.612 115.700 0.249 0.000 2.565 194 S HA 0.675 5.148 4.470 0.006 0.000 0.290 194 S C -1.337 173.330 174.600 0.111 0.000 1.150 194 S CA -0.706 57.606 58.200 0.187 0.000 1.058 194 S CB 1.758 65.032 63.200 0.123 0.000 1.032 194 S HN 0.362 nan 8.310 nan 0.000 0.510 195 W N 2.082 123.176 121.300 -0.342 0.000 3.479 195 W HA 0.237 4.902 4.660 0.009 0.000 0.304 195 W C -2.134 174.149 176.519 -0.394 0.000 1.243 195 W CA -0.484 56.483 57.345 -0.629 0.000 1.202 195 W CB 1.660 30.215 29.460 -1.509 0.000 1.346 195 W HN 0.566 nan 8.180 nan 0.000 0.539 196 D N 3.633 123.399 120.400 -1.058 0.000 2.427 196 D HA 0.228 4.871 4.640 0.006 0.000 0.226 196 D C 0.301 176.244 176.300 -0.595 0.000 1.076 196 D CA -0.297 53.344 54.000 -0.598 0.000 0.849 196 D CB 0.368 40.882 40.800 -0.476 0.000 1.052 196 D HN 0.182 nan 8.370 nan 0.000 0.515 197 F N 1.940 121.862 119.950 -0.047 0.000 2.512 197 F HA 0.035 4.564 4.527 0.004 0.000 0.296 197 F C 2.127 177.936 175.800 0.015 0.000 1.110 197 F CA 0.116 58.181 58.000 0.107 0.000 1.446 197 F CB 0.072 39.155 39.000 0.138 0.000 1.092 197 F HN 0.332 nan 8.300 nan 0.000 0.554 198 N N -0.221 118.540 118.700 0.102 0.000 2.171 198 N HA -0.118 4.625 4.740 0.006 0.000 0.184 198 N C 0.715 176.221 175.510 -0.006 0.000 1.021 198 N CA 1.301 54.373 53.050 0.036 0.000 0.854 198 N CB -0.172 38.312 38.487 -0.006 0.000 0.994 198 N HN 0.287 nan 8.380 nan 0.000 0.426 199 D N 0.305 120.664 120.400 -0.069 0.000 2.501 199 D HA 0.026 4.670 4.640 0.006 0.000 0.224 199 D C -0.388 175.829 176.300 -0.137 0.000 1.202 199 D CA -0.180 53.766 54.000 -0.090 0.000 0.829 199 D CB -0.089 40.651 40.800 -0.100 0.000 1.023 199 D HN 0.046 nan 8.370 nan 0.000 0.499 200 N N 1.424 120.038 118.700 -0.144 0.000 2.688 200 N HA -0.200 4.543 4.740 0.006 0.000 0.258 200 N C -1.184 174.144 175.510 -0.304 0.000 1.016 200 N CA 1.013 54.004 53.050 -0.099 0.000 0.747 200 N CB -0.959 37.561 38.487 0.056 0.000 0.895 200 N HN 0.197 nan 8.380 nan 0.000 0.543 201 T N -1.018 113.021 114.554 -0.857 0.000 2.739 201 T HA 0.394 4.747 4.350 0.006 0.000 0.303 201 T C 0.978 174.646 174.700 -1.720 0.000 1.389 201 T CA -0.097 61.411 62.100 -0.987 0.000 1.001 201 T CB 0.464 69.052 68.868 -0.466 0.000 1.436 201 T HN 0.259 nan 8.240 nan 0.000 0.500 202 N N 0.852 118.931 118.700 -1.035 0.000 2.135 202 N HA -0.006 4.738 4.740 0.006 0.000 0.186 202 N C 0.411 175.684 175.510 -0.395 0.000 1.027 202 N CA 0.628 53.294 53.050 -0.639 0.000 0.849 202 N CB -0.381 38.020 38.487 -0.143 0.000 1.002 202 N HN 0.257 nan 8.380 nan 0.000 0.425 203 L N 3.059 124.099 121.223 -0.306 0.000 2.319 203 L HA 0.253 4.596 4.340 0.006 0.000 0.280 203 L C -1.900 174.920 176.870 -0.084 0.000 1.099 203 L CA -2.121 52.601 54.840 -0.197 0.000 0.828 203 L CB 0.571 42.460 42.059 -0.284 0.000 1.150 203 L HN 0.068 nan 8.230 nan 0.000 0.442 204 P HA 0.046 nan 4.420 nan 0.000 0.220 204 P C -0.073 177.302 177.300 0.126 0.000 1.778 204 P CA -0.367 62.771 63.100 0.063 0.000 0.912 204 P CB -0.017 31.763 31.700 0.132 0.000 1.861 205 K N 2.156 122.646 120.400 0.151 0.000 2.416 205 K HA 0.165 4.489 4.320 0.006 0.000 0.283 205 K C -2.249 174.317 176.600 -0.058 0.000 1.037 205 K CA -1.842 54.455 56.287 0.017 0.000 0.995 205 K CB 0.094 32.602 32.500 0.014 0.000 0.938 205 K HN 0.072 nan 8.250 nan 0.000 0.475 206 P HA 0.018 nan 4.420 nan 0.000 0.265 206 P C -0.400 176.857 177.300 -0.072 0.000 1.193 206 P CA 0.170 63.225 63.100 -0.076 0.000 0.765 206 P CB 0.788 32.441 31.700 -0.079 0.000 0.823 207 R N 1.786 122.255 120.500 -0.053 0.000 2.350 207 R HA 0.267 4.611 4.340 0.006 0.000 0.199 207 R C 0.488 176.769 176.300 -0.031 0.000 0.876 207 R CA -0.051 56.022 56.100 -0.045 0.000 1.062 207 R CB 0.124 30.397 30.300 -0.044 0.000 1.263 207 R HN 0.357 nan 8.270 nan 0.000 0.641 208 L N 0.831 122.039 121.223 -0.026 0.000 2.375 208 L HA 0.203 4.546 4.340 0.006 0.000 0.268 208 L C 1.685 178.562 176.870 0.011 0.000 1.058 208 L CA -0.256 54.578 54.840 -0.011 0.000 0.803 208 L CB 1.604 43.654 42.059 -0.015 0.000 1.212 208 L HN 0.124 nan 8.230 nan 0.000 0.451 209 S N -0.638 115.078 115.700 0.026 0.000 2.442 209 S HA -0.169 4.304 4.470 0.006 0.000 0.236 209 S C 0.990 175.665 174.600 0.125 0.000 1.007 209 S CA 1.184 59.416 58.200 0.053 0.000 0.965 209 S CB -0.360 62.862 63.200 0.038 0.000 0.773 209 S HN 0.839 nan 8.310 nan 0.000 0.504 210 D N 0.392 120.864 120.400 0.120 0.000 2.342 210 D HA 0.088 4.731 4.640 0.006 0.000 0.221 210 D C -0.493 175.791 176.300 -0.026 0.000 1.101 210 D CA -0.226 53.899 54.000 0.209 0.000 0.837 210 D CB -0.537 40.356 40.800 0.156 0.000 0.938 210 D HN 0.181 nan 8.370 nan 0.000 0.508 211 D N 0.772 121.163 120.400 -0.015 0.000 2.994 211 D HA 0.020 4.664 4.640 0.006 0.000 0.240 211 D C 0.450 176.713 176.300 -0.063 0.000 1.195 211 D CA -0.210 53.730 54.000 -0.101 0.000 0.957 211 D CB -0.451 40.315 40.800 -0.057 0.000 1.105 211 D HN 0.502 nan 8.370 nan 0.000 0.477 212 Y N -2.628 117.692 120.300 0.032 0.000 2.507 212 Y HA 0.191 4.745 4.550 0.006 0.000 0.263 212 Y C 2.035 177.945 175.900 0.016 0.000 1.093 212 Y CA 0.078 58.183 58.100 0.008 0.000 1.285 212 Y CB -0.321 38.139 38.460 -0.000 0.000 1.115 212 Y HN 0.163 nan 8.280 nan 0.000 0.533 213 H N 1.145 119.923 119.070 -0.487 0.000 2.299 213 H HA -0.042 4.517 4.556 0.005 0.000 0.302 213 H C 2.231 177.519 175.328 -0.068 0.000 1.078 213 H CA 1.846 57.752 56.048 -0.238 0.000 1.323 213 H CB -0.363 29.183 29.762 -0.360 0.000 1.381 213 H HN 0.552 nan 8.280 nan 0.000 0.498 214 G N -0.657 108.186 108.800 0.071 0.000 2.422 214 G HA2 -0.228 3.735 3.960 0.006 0.000 0.218 214 G HA3 -0.228 3.735 3.960 0.006 0.000 0.218 214 G C 1.765 176.682 174.900 0.027 0.000 1.146 214 G CA 1.222 46.369 45.100 0.078 0.000 0.769 214 G HN 0.386 nan 8.290 nan 0.000 0.547 215 T N 0.579 115.131 114.554 -0.003 0.000 2.777 215 T HA -0.061 4.292 4.350 0.006 0.000 0.266 215 T C 2.518 177.185 174.700 -0.055 0.000 1.040 215 T CA 1.079 63.173 62.100 -0.010 0.000 1.141 215 T CB -0.117 68.744 68.868 -0.012 0.000 0.868 215 T HN 0.273 nan 8.240 nan 0.000 0.444 216 R N 0.221 120.625 120.500 -0.161 0.000 2.081 216 R HA -0.050 4.294 4.340 0.006 0.000 0.235 216 R C 2.773 178.906 176.300 -0.278 0.000 1.131 216 R CA 1.462 57.338 56.100 -0.375 0.000 0.960 216 R CB -0.777 28.986 30.300 -0.896 0.000 0.856 216 R HN 0.374 nan 8.270 nan 0.000 0.436 217 C N 0.053 119.259 119.300 -0.157 0.000 2.446 217 C HA -0.007 4.456 4.460 0.006 0.000 0.277 217 C C 2.940 177.965 174.990 0.059 0.000 1.275 217 C CA 0.621 59.660 59.018 0.035 0.000 1.727 217 C CB -0.940 26.844 27.740 0.073 0.000 2.010 217 C HN 0.601 nan 8.230 nan 0.000 0.486 218 A N 0.938 123.792 122.820 0.057 0.000 1.908 218 A HA 0.016 4.339 4.320 0.006 0.000 0.218 218 A C 2.401 180.043 177.584 0.097 0.000 1.181 218 A CA 2.141 54.234 52.037 0.092 0.000 0.627 218 A CB -1.223 17.842 19.000 0.109 0.000 0.818 218 A HN 0.556 nan 8.150 nan 0.000 0.445 219 G N -0.653 108.192 108.800 0.076 0.000 2.422 219 G HA2 -0.168 3.795 3.960 0.006 0.000 0.218 219 G HA3 -0.168 3.795 3.960 0.006 0.000 0.218 219 G C 1.372 176.345 174.900 0.122 0.000 1.140 219 G CA 0.884 46.042 45.100 0.097 0.000 0.775 219 G HN 0.667 nan 8.290 nan 0.000 0.545 220 E N -0.040 120.224 120.200 0.105 0.000 2.118 220 E HA -0.099 4.254 4.350 0.006 0.000 0.195 220 E C 2.411 179.104 176.600 0.156 0.000 0.992 220 E CA 0.727 57.203 56.400 0.126 0.000 0.804 220 E CB -0.113 29.630 29.700 0.071 0.000 0.741 220 E HN 0.518 nan 8.360 nan 0.000 0.458 221 I N -0.047 120.601 120.570 0.130 0.000 2.277 221 I HA -0.116 4.058 4.170 0.006 0.000 0.243 221 I C 1.531 177.738 176.117 0.149 0.000 1.094 221 I CA 0.973 62.350 61.300 0.129 0.000 1.393 221 I CB 0.202 38.264 38.000 0.104 0.000 1.078 221 I HN -0.019 nan 8.210 nan 0.000 0.417 222 A N 0.346 123.254 122.820 0.146 0.000 2.579 222 A HA 0.665 4.988 4.320 0.006 0.000 0.254 222 A C 0.325 178.000 177.584 0.151 0.000 0.873 222 A CA -0.298 51.827 52.037 0.146 0.000 1.106 222 A CB -0.362 18.709 19.000 0.118 0.000 1.222 222 A HN 0.141 nan 8.150 nan 0.000 0.470 223 A N 0.713 123.627 122.820 0.157 0.000 2.540 223 A HA 0.428 4.752 4.320 0.006 0.000 0.239 223 A C 0.512 178.171 177.584 0.124 0.000 1.061 223 A CA 0.165 52.288 52.037 0.144 0.000 0.758 223 A CB -0.010 19.075 19.000 0.143 0.000 0.991 223 A HN 0.464 nan 8.150 nan 0.000 0.502 224 K N 1.581 122.044 120.400 0.106 0.000 2.451 224 K HA 0.070 4.394 4.320 0.006 0.000 0.280 224 K C 0.293 176.871 176.600 -0.037 0.000 1.020 224 K CA 0.491 56.810 56.287 0.054 0.000 1.008 224 K CB 0.386 32.920 32.500 0.056 0.000 0.917 224 K HN 0.633 nan 8.250 nan 0.000 0.478 225 K N 2.764 123.058 120.400 -0.175 0.000 2.172 225 K HA 0.311 4.635 4.320 0.006 0.000 0.276 225 K C 0.137 176.573 176.600 -0.272 0.000 1.013 225 K CA 0.406 56.460 56.287 -0.389 0.000 0.913 225 K CB 0.741 32.669 32.500 -0.954 0.000 1.055 225 K HN 0.796 nan 8.250 nan 0.000 0.461 226 G N 3.082 111.738 108.800 -0.241 0.000 2.143 226 G HA2 -0.246 3.717 3.960 0.006 0.000 0.248 226 G HA3 -0.246 3.717 3.960 0.006 0.000 0.248 226 G C 0.049 174.900 174.900 -0.081 0.000 0.991 226 G CA 0.530 45.530 45.100 -0.167 0.000 0.689 226 G HN 0.824 nan 8.290 nan 0.000 0.522 227 N N 0.367 119.045 118.700 -0.036 0.000 2.238 227 N HA 0.138 4.882 4.740 0.006 0.000 0.222 227 N C 0.697 176.246 175.510 0.066 0.000 1.133 227 N CA -0.009 53.049 53.050 0.013 0.000 0.854 227 N CB -0.240 38.264 38.487 0.028 0.000 1.041 227 N HN 0.411 nan 8.380 nan 0.000 0.510 228 N N -0.378 118.349 118.700 0.046 0.000 2.708 228 N HA -0.248 4.496 4.740 0.006 0.000 0.249 228 N C -1.638 173.963 175.510 0.152 0.000 1.097 228 N CA 0.508 53.597 53.050 0.065 0.000 0.710 228 N CB -1.735 36.780 38.487 0.047 0.000 1.032 228 N HN 0.549 nan 8.380 nan 0.000 0.551 229 F N -0.197 119.743 119.950 -0.017 0.000 2.557 229 F HA 0.515 5.045 4.527 0.005 0.000 0.316 229 F C 1.197 177.002 175.800 0.008 0.000 1.141 229 F CA 0.209 58.206 58.000 -0.005 0.000 0.922 229 F CB 0.564 39.558 39.000 -0.009 0.000 1.194 229 F HN 0.276 nan 8.300 nan 0.000 0.443 230 c N 1.952 120.146 118.600 -0.678 0.000 0.169 230 c HA -0.143 4.431 4.570 0.006 0.000 0.017 230 c C 1.510 175.520 174.090 -0.134 0.000 0.171 230 c CA 0.937 56.984 56.329 -0.470 0.000 0.499 230 c CB -1.488 40.649 42.510 -0.622 0.000 3.212 230 c HN 1.245 nan 8.230 nan 0.000 1.118 231 G N -1.155 107.622 108.800 -0.039 0.000 3.039 231 G HA2 0.617 4.580 3.960 0.006 0.000 0.159 231 G HA3 0.617 4.580 3.960 0.006 0.000 0.159 231 G C -1.098 173.856 174.900 0.091 0.000 1.284 231 G CA 0.451 45.599 45.100 0.080 0.000 0.996 231 G HN 1.072 nan 8.290 nan 0.000 0.592 232 V N -0.338 119.673 119.914 0.160 0.000 2.841 232 V HA 0.679 4.802 4.120 0.006 0.000 0.310 232 V C 0.632 176.865 176.094 0.231 0.000 1.090 232 V CA -0.359 62.003 62.300 0.103 0.000 0.930 232 V CB 1.651 33.447 31.823 -0.045 0.000 1.014 232 V HN 1.009 nan 8.190 nan 0.000 0.425 233 G N 1.530 110.467 108.800 0.228 0.000 2.507 233 G HA2 0.440 4.404 3.960 0.006 0.000 0.271 233 G HA3 0.440 4.404 3.960 0.006 0.000 0.271 233 G C 0.992 176.158 174.900 0.443 0.000 1.189 233 G CA -0.190 45.087 45.100 0.295 0.000 0.859 233 G HN 0.551 nan 8.290 nan 0.000 0.542 234 V N 1.724 121.889 119.914 0.418 0.000 2.255 234 V HA -0.048 4.076 4.120 0.006 0.000 0.247 234 V C 2.090 178.452 176.094 0.447 0.000 1.051 234 V CA 2.193 64.782 62.300 0.482 0.000 1.018 234 V CB -0.776 31.203 31.823 0.260 0.000 0.641 234 V HN 0.795 nan 8.190 nan 0.000 0.445 235 G N -0.957 107.975 108.800 0.220 0.000 3.628 235 G HA2 0.326 4.289 3.960 0.006 0.000 0.328 235 G HA3 0.326 4.289 3.960 0.006 0.000 0.328 235 G C 0.364 175.257 174.900 -0.012 0.000 1.200 235 G CA -0.245 44.888 45.100 0.056 0.000 1.364 235 G HN 0.632 nan 8.290 nan 0.000 0.503 236 Y N -0.720 119.591 120.300 0.018 0.000 2.574 236 Y HA 0.050 4.604 4.550 0.007 0.000 0.294 236 Y C 1.583 177.457 175.900 -0.043 0.000 1.142 236 Y CA 0.736 58.802 58.100 -0.057 0.000 1.314 236 Y CB -0.162 38.172 38.460 -0.211 0.000 0.991 236 Y HN 0.415 nan 8.280 nan 0.000 0.555 237 N N 0.293 118.932 118.700 -0.101 0.000 2.205 237 N HA 0.315 5.059 4.740 0.006 0.000 0.201 237 N C 0.345 175.850 175.510 -0.007 0.000 1.128 237 N CA 0.024 53.063 53.050 -0.018 0.000 0.867 237 N CB 0.303 38.752 38.487 -0.062 0.000 0.996 237 N HN 0.332 nan 8.380 nan 0.000 0.503 238 A N 1.135 123.951 122.820 -0.007 0.000 2.386 238 A HA 0.207 4.531 4.320 0.006 0.000 0.248 238 A C 0.211 177.815 177.584 0.033 0.000 1.082 238 A CA 0.082 52.127 52.037 0.014 0.000 0.789 238 A CB 0.461 19.476 19.000 0.025 0.000 1.025 238 A HN -0.000 nan 8.150 nan 0.000 0.490 239 K N 0.643 121.054 120.400 0.018 0.000 2.118 239 K HA 0.523 4.847 4.320 0.006 0.000 0.267 239 K C -0.548 176.064 176.600 0.019 0.000 0.991 239 K CA -0.076 56.220 56.287 0.015 0.000 0.916 239 K CB 1.165 33.653 32.500 -0.021 0.000 1.041 239 K HN 0.649 nan 8.250 nan 0.000 0.455 240 I N -1.298 119.297 120.570 0.042 0.000 2.447 240 I HA 0.347 4.520 4.170 0.006 0.000 0.287 240 I C -0.300 175.846 176.117 0.049 0.000 1.023 240 I CA -0.693 60.651 61.300 0.073 0.000 1.083 240 I CB 2.074 40.162 38.000 0.147 0.000 1.245 240 I HN 0.149 nan 8.210 nan 0.000 0.434 241 S N 3.335 119.045 115.700 0.016 0.000 2.651 241 S HA 0.829 5.302 4.470 0.006 0.000 0.291 241 S C 0.138 174.846 174.600 0.179 0.000 1.141 241 S CA -0.685 57.519 58.200 0.005 0.000 1.027 241 S CB 1.835 65.028 63.200 -0.013 0.000 1.043 241 S HN 0.937 nan 8.310 nan 0.000 0.530 242 G N 0.770 109.737 108.800 0.279 0.000 2.530 242 G HA2 0.675 4.638 3.960 0.006 0.000 0.316 242 G HA3 0.675 4.638 3.960 0.006 0.000 0.316 242 G C -1.073 173.971 174.900 0.241 0.000 1.298 242 G CA -0.558 44.712 45.100 0.284 0.000 0.948 242 G HN 0.639 nan 8.290 nan 0.000 0.486 243 I N 2.006 122.723 120.570 0.245 0.000 2.437 243 I HA 0.324 4.497 4.170 0.006 0.000 0.279 243 I C 0.345 176.594 176.117 0.221 0.000 1.028 243 I CA -0.649 60.818 61.300 0.279 0.000 1.142 243 I CB 1.672 39.916 38.000 0.407 0.000 1.266 243 I HN 0.341 nan 8.210 nan 0.000 0.461 244 R N 6.989 127.587 120.500 0.164 0.000 2.210 244 R HA 0.391 4.735 4.340 0.006 0.000 0.338 244 R C 0.641 177.006 176.300 0.109 0.000 1.062 244 R CA 0.092 56.243 56.100 0.084 0.000 0.902 244 R CB 0.474 30.785 30.300 0.018 0.000 1.050 244 R HN 0.845 nan 8.270 nan 0.000 0.461 245 I N 1.093 121.658 120.570 -0.009 0.000 4.774 245 I HA 0.094 4.267 4.170 0.006 0.000 0.330 245 I C 0.444 176.444 176.117 -0.195 0.000 1.287 245 I CA -0.193 61.054 61.300 -0.090 0.000 1.311 245 I CB 0.382 38.247 38.000 -0.224 0.000 1.315 245 I HN 0.457 nan 8.210 nan 0.000 0.459 246 L N 0.965 122.051 121.223 -0.229 0.000 2.558 246 L HA 0.218 4.561 4.340 0.006 0.000 0.225 246 L C 1.897 178.669 176.870 -0.164 0.000 1.128 246 L CA 0.358 55.045 54.840 -0.255 0.000 0.868 246 L CB -0.128 41.753 42.059 -0.296 0.000 1.006 246 L HN 0.193 nan 8.230 nan 0.000 0.454 247 S N -0.399 115.231 115.700 -0.115 0.000 2.527 247 S HA 0.200 4.673 4.470 0.006 0.000 0.222 247 S C 0.835 175.396 174.600 -0.065 0.000 0.985 247 S CA 0.599 58.747 58.200 -0.086 0.000 0.921 247 S CB 0.325 63.484 63.200 -0.068 0.000 0.772 247 S HN 0.567 nan 8.310 nan 0.000 0.529 248 G N 0.261 109.023 108.800 -0.063 0.000 2.600 248 G HA2 0.411 4.374 3.960 0.006 0.000 0.293 248 G HA3 0.411 4.374 3.960 0.006 0.000 0.293 248 G C -2.275 172.597 174.900 -0.046 0.000 1.408 248 G CA -0.854 44.219 45.100 -0.045 0.000 0.782 248 G HN -0.040 nan 8.290 nan 0.000 0.482 249 D N 0.469 120.851 120.400 -0.030 0.000 2.455 249 D HA 0.376 5.019 4.640 0.006 0.000 0.241 249 D C 0.626 176.917 176.300 -0.015 0.000 1.138 249 D CA 0.759 54.744 54.000 -0.025 0.000 0.877 249 D CB 1.165 41.959 40.800 -0.010 0.000 1.187 249 D HN 0.604 nan 8.370 nan 0.000 0.451 250 I N -2.285 118.270 120.570 -0.024 0.000 3.042 250 I HA 0.503 4.676 4.170 0.006 0.000 0.310 250 I C 0.372 176.484 176.117 -0.009 0.000 1.117 250 I CA -1.038 60.256 61.300 -0.010 0.000 1.003 250 I CB 2.045 40.025 38.000 -0.033 0.000 1.228 250 I HN 0.195 nan 8.210 nan 0.000 0.443 251 T N -1.057 113.500 114.554 0.005 0.000 2.828 251 T HA 0.189 4.543 4.350 0.006 0.000 0.290 251 T C 1.304 175.997 174.700 -0.012 0.000 1.019 251 T CA 0.160 62.263 62.100 0.005 0.000 1.031 251 T CB 1.074 69.954 68.868 0.020 0.000 1.001 251 T HN 0.904 nan 8.240 nan 0.000 0.531 252 T N -1.952 112.601 114.554 -0.001 0.000 2.881 252 T HA -0.127 4.227 4.350 0.006 0.000 0.270 252 T C 1.597 176.284 174.700 -0.021 0.000 1.068 252 T CA 1.276 63.375 62.100 -0.002 0.000 1.131 252 T CB -0.550 68.324 68.868 0.009 0.000 0.871 252 T HN 0.798 nan 8.240 nan 0.000 0.479 253 E N 1.162 121.353 120.200 -0.015 0.000 2.051 253 E HA -0.211 4.142 4.350 0.006 0.000 0.192 253 E C 1.681 178.252 176.600 -0.049 0.000 0.991 253 E CA 1.538 57.928 56.400 -0.017 0.000 0.799 253 E CB -0.166 29.540 29.700 0.009 0.000 0.748 253 E HN 0.427 nan 8.360 nan 0.000 0.449 254 D N 0.209 120.573 120.400 -0.060 0.000 2.178 254 D HA -0.143 4.500 4.640 0.006 0.000 0.202 254 D C 1.730 177.780 176.300 -0.416 0.000 0.974 254 D CA 0.718 54.607 54.000 -0.185 0.000 0.841 254 D CB -0.164 40.622 40.800 -0.024 0.000 0.953 254 D HN 0.322 nan 8.370 nan 0.000 0.478 255 E N 0.345 120.411 120.200 -0.223 0.000 2.077 255 E HA -0.156 4.198 4.350 0.006 0.000 0.193 255 E C 1.950 178.475 176.600 -0.126 0.000 0.989 255 E CA 0.952 57.244 56.400 -0.180 0.000 0.800 255 E CB 0.059 29.730 29.700 -0.050 0.000 0.746 255 E HN 0.160 nan 8.360 nan 0.000 0.452 256 A N 1.261 124.027 122.820 -0.090 0.000 1.902 256 A HA -0.108 4.215 4.320 0.006 0.000 0.217 256 A C 2.387 179.921 177.584 -0.083 0.000 1.181 256 A CA 1.845 53.843 52.037 -0.066 0.000 0.623 256 A CB -0.737 18.230 19.000 -0.055 0.000 0.818 256 A HN 0.403 nan 8.150 nan 0.000 0.443 257 A N 0.378 123.124 122.820 -0.123 0.000 1.902 257 A HA -0.104 4.220 4.320 0.006 0.000 0.217 257 A C 2.519 180.076 177.584 -0.045 0.000 1.181 257 A CA 2.384 54.390 52.037 -0.052 0.000 0.623 257 A CB -1.027 17.982 19.000 0.015 0.000 0.818 257 A HN 1.042 nan 8.150 nan 0.000 0.443 258 S N 0.049 115.509 115.700 -0.401 0.000 2.382 258 S HA -0.094 4.379 4.470 0.006 0.000 0.228 258 S C 1.709 176.395 174.600 0.144 0.000 1.027 258 S CA 1.537 59.608 58.200 -0.215 0.000 0.991 258 S CB -0.673 62.263 63.200 -0.440 0.000 0.823 258 S HN 0.430 nan 8.310 nan 0.000 0.469 259 L N 1.005 122.252 121.223 0.041 0.000 2.552 259 L HA 0.302 4.646 4.340 0.006 0.000 0.227 259 L C 1.679 178.403 176.870 -0.244 0.000 1.146 259 L CA 0.618 55.437 54.840 -0.035 0.000 0.858 259 L CB -0.359 41.706 42.059 0.010 0.000 0.969 259 L HN 0.547 nan 8.230 nan 0.000 0.451 260 I N -5.923 114.628 120.570 -0.031 0.000 4.050 260 I HA 0.144 4.317 4.170 0.006 0.000 0.327 260 I C 0.302 176.533 176.117 0.191 0.000 1.473 260 I CA -0.727 60.590 61.300 0.029 0.000 1.124 260 I CB -0.152 37.853 38.000 0.009 0.000 1.129 260 I HN -0.152 nan 8.210 nan 0.000 0.428 261 Y N 3.438 123.887 120.300 0.248 0.000 2.620 261 Y HA 0.393 4.950 4.550 0.012 0.000 0.330 261 Y C 1.520 177.600 175.900 0.300 0.000 1.186 261 Y CA 1.030 59.305 58.100 0.292 0.000 1.467 261 Y CB 0.645 39.360 38.460 0.425 0.000 1.262 261 Y HN 0.450 nan 8.280 nan 0.000 0.550 262 G N 5.583 114.019 108.800 -0.607 0.000 2.295 262 G HA2 -0.339 3.625 3.960 0.006 0.000 0.287 262 G HA3 -0.339 3.625 3.960 0.006 0.000 0.287 262 G C 0.592 175.469 174.900 -0.039 0.000 1.055 262 G CA 0.407 45.311 45.100 -0.326 0.000 0.922 262 G HN 0.781 nan 8.290 nan 0.000 0.503 263 L N 0.766 121.995 121.223 0.011 0.000 2.265 263 L HA 0.021 4.365 4.340 0.006 0.000 0.215 263 L C 2.499 179.386 176.870 0.028 0.000 1.117 263 L CA 2.652 57.550 54.840 0.097 0.000 0.782 263 L CB -0.126 41.978 42.059 0.074 0.000 0.914 263 L HN 0.563 nan 8.230 nan 0.000 0.441 264 D N -1.555 118.829 120.400 -0.026 0.000 2.347 264 D HA -0.104 4.540 4.640 0.006 0.000 0.215 264 D C 1.578 177.861 176.300 -0.030 0.000 0.976 264 D CA 1.388 55.371 54.000 -0.028 0.000 0.884 264 D CB -0.127 40.646 40.800 -0.045 0.000 0.915 264 D HN 0.397 nan 8.370 nan 0.000 0.526 265 V N -3.157 116.734 119.914 -0.040 0.000 3.371 265 V HA 0.261 4.384 4.120 0.006 0.000 0.246 265 V C 0.252 176.306 176.094 -0.067 0.000 1.303 265 V CA -0.433 61.839 62.300 -0.047 0.000 1.156 265 V CB -0.270 31.522 31.823 -0.051 0.000 0.929 265 V HN -0.153 nan 8.190 nan 0.000 0.459 266 N N 2.781 121.424 118.700 -0.095 0.000 2.422 266 N HA 0.260 5.004 4.740 0.006 0.000 0.264 266 N C -0.009 175.372 175.510 -0.214 0.000 1.063 266 N CA 0.143 53.056 53.050 -0.228 0.000 0.959 266 N CB 1.557 39.764 38.487 -0.467 0.000 1.087 266 N HN 0.432 nan 8.380 nan 0.000 0.483 267 D N 1.448 121.743 120.400 -0.175 0.000 2.216 267 D HA 0.147 4.791 4.640 0.006 0.000 0.208 267 D C 0.400 176.630 176.300 -0.117 0.000 0.960 267 D CA 0.938 54.882 54.000 -0.094 0.000 0.861 267 D CB 1.000 41.777 40.800 -0.039 0.000 0.985 267 D HN 0.445 nan 8.370 nan 0.000 0.493 268 I N 0.040 120.499 120.570 -0.185 0.000 2.545 268 I HA 0.212 4.385 4.170 0.006 0.000 0.292 268 I C -1.254 174.711 176.117 -0.255 0.000 1.040 268 I CA -0.848 60.386 61.300 -0.110 0.000 1.068 268 I CB 2.174 40.194 38.000 0.033 0.000 1.251 268 I HN -0.236 nan 8.210 nan 0.000 0.424 269 Y N 3.757 124.014 120.300 -0.072 0.000 2.356 269 Y HA 0.360 4.911 4.550 0.003 0.000 0.334 269 Y C 0.446 176.378 175.900 0.053 0.000 0.958 269 Y CA -0.469 57.647 58.100 0.027 0.000 1.196 269 Y CB 1.915 40.417 38.460 0.071 0.000 1.137 269 Y HN 0.424 nan 8.280 nan 0.000 0.485 270 S N 3.431 119.227 115.700 0.160 0.000 2.411 270 S HA 0.406 4.879 4.470 0.006 0.000 0.294 270 S C -0.848 173.760 174.600 0.013 0.000 1.115 270 S CA -0.473 57.774 58.200 0.078 0.000 1.071 270 S CB -0.302 62.952 63.200 0.091 0.000 0.967 270 S HN 0.745 nan 8.310 nan 0.000 0.488 271 C N 4.866 123.985 119.300 -0.302 0.000 2.409 271 C HA 0.399 4.862 4.460 0.006 0.000 0.297 271 C C 0.832 175.405 174.990 -0.695 0.000 1.083 271 C CA -0.874 57.717 59.018 -0.712 0.000 1.515 271 C CB -0.457 26.122 27.740 -1.935 0.000 1.869 271 C HN 0.824 nan 8.230 nan 0.000 0.413 272 S N 3.877 119.519 115.700 -0.096 0.000 3.513 272 S HA 0.281 4.754 4.470 0.006 0.000 0.209 272 S C -0.182 174.562 174.600 0.240 0.000 1.446 272 S CA -0.393 57.867 58.200 0.101 0.000 1.150 272 S CB -0.353 63.020 63.200 0.289 0.000 1.266 272 S HN 0.896 nan 8.310 nan 0.000 0.502 273 W N -0.996 120.323 121.300 0.032 0.000 3.005 273 W HA 0.705 5.367 4.660 0.004 0.000 0.343 273 W C -0.264 176.297 176.519 0.068 0.000 1.243 273 W CA -1.047 56.298 57.345 0.001 0.000 1.186 273 W CB 0.620 30.034 29.460 -0.077 0.000 1.453 273 W HN 0.287 nan 8.180 nan 0.000 0.575 274 G N 0.457 109.455 108.800 0.330 0.000 2.321 274 G HA2 0.482 4.445 3.960 0.006 0.000 0.296 274 G HA3 0.482 4.445 3.960 0.006 0.000 0.296 274 G C -3.157 171.811 174.900 0.114 0.000 1.287 274 G CA -0.952 44.221 45.100 0.122 0.000 0.846 274 G HN 0.342 nan 8.290 nan 0.000 0.508 275 P HA 0.456 nan 4.420 nan 0.000 0.269 275 P C 0.379 177.646 177.300 -0.056 0.000 1.217 275 P CA 0.397 63.531 63.100 0.058 0.000 0.783 275 P CB 0.389 32.181 31.700 0.153 0.000 0.898 276 A N 1.837 124.499 122.820 -0.263 0.000 2.567 276 A HA -0.014 4.309 4.320 0.006 0.000 0.240 276 A C 0.539 178.008 177.584 -0.192 0.000 1.053 276 A CA 0.234 52.087 52.037 -0.307 0.000 0.755 276 A CB -0.493 18.170 19.000 -0.562 0.000 0.978 276 A HN 0.471 nan 8.150 nan 0.000 0.507 277 D N 1.805 122.168 120.400 -0.063 0.000 2.881 277 D HA 0.056 4.699 4.640 0.006 0.000 0.240 277 D C 0.402 176.712 176.300 0.017 0.000 1.249 277 D CA 0.273 54.276 54.000 0.006 0.000 0.839 277 D CB 0.303 41.126 40.800 0.038 0.000 1.042 277 D HN 0.708 nan 8.370 nan 0.000 0.475 278 D N -0.863 119.552 120.400 0.024 0.000 2.349 278 D HA 0.009 4.652 4.640 0.006 0.000 0.224 278 D C 1.556 177.884 176.300 0.048 0.000 1.029 278 D CA 0.292 54.327 54.000 0.058 0.000 0.879 278 D CB -0.123 40.740 40.800 0.104 0.000 0.906 278 D HN 0.181 nan 8.370 nan 0.000 0.528 279 G N 0.714 109.532 108.800 0.031 0.000 2.153 279 G HA2 -0.360 3.603 3.960 0.006 0.000 0.252 279 G HA3 -0.360 3.603 3.960 0.006 0.000 0.252 279 G C 1.079 175.947 174.900 -0.052 0.000 0.994 279 G CA 0.406 45.486 45.100 -0.034 0.000 0.698 279 G HN 0.469 nan 8.290 nan 0.000 0.521 280 R N -1.347 119.164 120.500 0.019 0.000 2.435 280 R HA 0.163 4.507 4.340 0.006 0.000 0.221 280 R C 0.329 176.587 176.300 -0.069 0.000 0.885 280 R CA -0.182 55.896 56.100 -0.036 0.000 1.018 280 R CB 0.464 30.745 30.300 -0.031 0.000 1.259 280 R HN 0.526 nan 8.270 nan 0.000 0.597 281 H N 0.289 119.322 119.070 -0.061 0.000 2.562 281 H HA 0.267 4.826 4.556 0.006 0.000 0.352 281 H C -0.876 174.409 175.328 -0.072 0.000 1.125 281 H CA 0.006 56.024 56.048 -0.050 0.000 1.379 281 H CB 1.185 30.947 29.762 0.001 0.000 1.464 281 H HN -0.129 nan 8.280 nan 0.000 0.563 282 L N 2.999 124.179 121.223 -0.071 0.000 2.427 282 L HA 0.348 4.691 4.340 0.006 0.000 0.264 282 L C -1.273 175.442 176.870 -0.260 0.000 0.989 282 L CA -0.050 54.592 54.840 -0.329 0.000 0.865 282 L CB 0.796 42.514 42.059 -0.568 0.000 1.209 282 L HN 0.681 nan 8.230 nan 0.000 0.430 283 Q N 2.789 122.553 119.800 -0.061 0.000 2.320 283 Q HA 0.760 5.104 4.340 0.006 0.000 0.272 283 Q C -1.288 174.965 176.000 0.421 0.000 1.023 283 Q CA -0.548 55.383 55.803 0.213 0.000 0.855 283 Q CB 2.344 31.236 28.738 0.257 0.000 1.367 283 Q HN 0.783 nan 8.270 nan 0.000 0.406 284 G N 2.136 111.154 108.800 0.364 0.000 2.866 284 G HA2 0.693 4.656 3.960 0.006 0.000 0.289 284 G HA3 0.693 4.656 3.960 0.006 0.000 0.289 284 G C -2.879 171.924 174.900 -0.162 0.000 1.396 284 G CA -1.060 44.080 45.100 0.066 0.000 0.848 284 G HN 0.489 nan 8.290 nan 0.000 0.515 285 P HA 0.195 nan 4.420 nan 0.000 0.269 285 P C 0.568 177.765 177.300 -0.172 0.000 1.215 285 P CA -0.048 62.787 63.100 -0.442 0.000 0.780 285 P CB 1.040 32.351 31.700 -0.648 0.000 0.898 286 S N 0.822 116.486 115.700 -0.059 0.000 2.596 286 S HA 0.033 4.506 4.470 0.006 0.000 0.260 286 S C 0.894 175.444 174.600 -0.084 0.000 1.336 286 S CA -0.221 57.953 58.200 -0.044 0.000 0.993 286 S CB 0.103 63.299 63.200 -0.007 0.000 0.923 286 S HN 0.346 nan 8.310 nan 0.000 0.567 287 D N 0.103 120.460 120.400 -0.073 0.000 2.182 287 D HA -0.075 4.568 4.640 0.006 0.000 0.201 287 D C 1.648 177.897 176.300 -0.084 0.000 0.986 287 D CA 0.754 54.703 54.000 -0.086 0.000 0.847 287 D CB -0.383 40.376 40.800 -0.067 0.000 0.942 287 D HN 0.384 nan 8.370 nan 0.000 0.467 288 L N 0.116 121.302 121.223 -0.063 0.000 2.093 288 L HA -0.107 4.236 4.340 0.006 0.000 0.208 288 L C 2.252 179.078 176.870 -0.074 0.000 1.085 288 L CA 1.089 55.894 54.840 -0.059 0.000 0.755 288 L CB -0.332 41.704 42.059 -0.038 0.000 0.904 288 L HN -0.076 nan 8.230 nan 0.000 0.435 289 V N -1.027 118.845 119.914 -0.071 0.000 2.453 289 V HA -0.231 3.893 4.120 0.006 0.000 0.247 289 V C 2.439 178.444 176.094 -0.148 0.000 1.048 289 V CA 1.338 63.593 62.300 -0.076 0.000 1.049 289 V CB -0.522 31.297 31.823 -0.007 0.000 0.672 289 V HN 0.403 nan 8.190 nan 0.000 0.457 290 K N 0.162 120.459 120.400 -0.170 0.000 2.063 290 K HA -0.204 4.119 4.320 0.006 0.000 0.208 290 K C 2.251 178.724 176.600 -0.212 0.000 1.048 290 K CA 1.487 57.653 56.287 -0.202 0.000 0.928 290 K CB -0.190 32.198 32.500 -0.187 0.000 0.713 290 K HN 0.391 nan 8.250 nan 0.000 0.442 291 K N 0.315 120.613 120.400 -0.169 0.000 2.057 291 K HA -0.098 4.225 4.320 0.006 0.000 0.207 291 K C 2.169 178.654 176.600 -0.192 0.000 1.049 291 K CA 1.149 57.336 56.287 -0.166 0.000 0.931 291 K CB -0.111 32.321 32.500 -0.113 0.000 0.714 291 K HN 0.126 nan 8.250 nan 0.000 0.440 292 A N 1.352 124.070 122.820 -0.171 0.000 1.940 292 A HA -0.155 4.168 4.320 0.006 0.000 0.219 292 A C 2.081 179.511 177.584 -0.255 0.000 1.176 292 A CA 1.307 53.244 52.037 -0.167 0.000 0.631 292 A CB -0.619 18.307 19.000 -0.123 0.000 0.814 292 A HN 0.165 nan 8.150 nan 0.000 0.446 293 L N -0.692 120.310 121.223 -0.369 0.000 2.056 293 L HA -0.157 4.186 4.340 0.006 0.000 0.207 293 L C 2.543 178.985 176.870 -0.713 0.000 1.078 293 L CA 1.077 55.569 54.840 -0.581 0.000 0.749 293 L CB -0.673 41.048 42.059 -0.563 0.000 0.901 293 L HN 0.243 nan 8.230 nan 0.000 0.433 294 V N 0.282 119.748 119.914 -0.748 0.000 2.287 294 V HA -0.361 3.763 4.120 0.006 0.000 0.248 294 V C 2.597 178.428 176.094 -0.438 0.000 1.053 294 V CA 2.170 64.015 62.300 -0.758 0.000 1.027 294 V CB -0.596 30.942 31.823 -0.475 0.000 0.646 294 V HN 0.458 nan 8.190 nan 0.000 0.447 295 K N 0.138 120.371 120.400 -0.279 0.000 2.063 295 K HA -0.172 4.151 4.320 0.006 0.000 0.208 295 K C 2.173 178.700 176.600 -0.122 0.000 1.048 295 K CA 1.723 57.915 56.287 -0.159 0.000 0.928 295 K CB -0.665 31.770 32.500 -0.108 0.000 0.713 295 K HN 0.500 nan 8.250 nan 0.000 0.442 296 G N 0.610 109.346 108.800 -0.106 0.000 2.446 296 G HA2 -0.248 3.715 3.960 0.006 0.000 0.217 296 G HA3 -0.248 3.715 3.960 0.006 0.000 0.217 296 G C 1.450 176.331 174.900 -0.030 0.000 1.168 296 G CA 1.285 46.411 45.100 0.043 0.000 0.771 296 G HN 0.346 nan 8.290 nan 0.000 0.551 297 V N -2.058 117.717 119.914 -0.233 0.000 2.951 297 V HA 0.050 4.173 4.120 0.006 0.000 0.255 297 V C 2.450 178.385 176.094 -0.266 0.000 1.088 297 V CA 2.275 64.283 62.300 -0.487 0.000 1.109 297 V CB -0.585 30.426 31.823 -1.353 0.000 0.724 297 V HN 0.213 nan 8.190 nan 0.000 0.471 298 T N 0.634 115.087 114.554 -0.169 0.000 2.894 298 T HA 0.041 4.394 4.350 0.006 0.000 0.258 298 T C 1.707 176.424 174.700 0.029 0.000 1.043 298 T CA 1.828 63.918 62.100 -0.016 0.000 1.141 298 T CB -0.055 68.793 68.868 -0.033 0.000 0.873 298 T HN 0.661 nan 8.240 nan 0.000 0.449 299 E N 0.210 120.410 120.200 0.001 0.000 2.434 299 E HA 0.240 4.593 4.350 0.006 0.000 0.207 299 E C 1.170 177.790 176.600 0.033 0.000 0.929 299 E CA -0.342 56.070 56.400 0.020 0.000 1.001 299 E CB 0.406 30.108 29.700 0.003 0.000 1.016 299 E HN 0.351 nan 8.360 nan 0.000 0.502 300 G N 1.325 110.146 108.800 0.036 0.000 2.559 300 G HA2 -0.088 3.875 3.960 0.006 0.000 0.235 300 G HA3 -0.088 3.875 3.960 0.006 0.000 0.235 300 G C -0.072 174.867 174.900 0.065 0.000 1.266 300 G CA -0.272 44.862 45.100 0.057 0.000 0.847 300 G HN 0.191 nan 8.290 nan 0.000 0.583 301 R N 0.719 121.253 120.500 0.055 0.000 3.158 301 R HA -0.200 4.143 4.340 0.006 0.000 0.244 301 R C -0.173 176.161 176.300 0.056 0.000 0.900 301 R CA 0.784 56.915 56.100 0.051 0.000 0.618 301 R CB -1.572 28.765 30.300 0.063 0.000 1.061 301 R HN 0.849 nan 8.270 nan 0.000 0.471 302 D N -0.438 119.989 120.400 0.044 0.000 2.708 302 D HA -0.239 4.404 4.640 0.006 0.000 0.236 302 D C 0.550 176.885 176.300 0.058 0.000 1.146 302 D CA 1.725 55.750 54.000 0.042 0.000 0.662 302 D CB -0.892 39.929 40.800 0.036 0.000 1.059 302 D HN 0.794 nan 8.370 nan 0.000 0.428 303 S N -3.090 112.651 115.700 0.067 0.000 3.228 303 S HA -0.391 4.082 4.470 0.006 0.000 0.282 303 S C 1.107 175.788 174.600 0.136 0.000 1.286 303 S CA 1.704 59.958 58.200 0.090 0.000 1.066 303 S CB -1.395 61.851 63.200 0.077 0.000 1.277 303 S HN 0.603 nan 8.310 nan 0.000 0.661 304 K N 1.520 122.003 120.400 0.137 0.000 2.243 304 K HA 0.390 4.714 4.320 0.006 0.000 0.201 304 K C 1.142 177.918 176.600 0.294 0.000 1.051 304 K CA 0.625 57.023 56.287 0.183 0.000 0.970 304 K CB -0.126 32.454 32.500 0.134 0.000 0.755 304 K HN 1.403 nan 8.250 nan 0.000 0.465 305 G N 0.937 109.873 108.800 0.227 0.000 3.233 305 G HA2 0.052 4.015 3.960 0.006 0.000 0.686 305 G HA3 0.052 4.015 3.960 0.006 0.000 0.686 305 G C -0.613 174.381 174.900 0.157 0.000 1.153 305 G CA -0.586 44.645 45.100 0.217 0.000 0.853 305 G HN 0.273 nan 8.290 nan 0.000 0.582 306 A N 2.664 125.513 122.820 0.049 0.000 2.386 306 A HA 0.682 5.005 4.320 0.006 0.000 0.248 306 A C 0.686 178.230 177.584 -0.066 0.000 1.082 306 A CA -0.195 51.827 52.037 -0.025 0.000 0.789 306 A CB 0.257 19.219 19.000 -0.064 0.000 1.025 306 A HN 1.175 nan 8.150 nan 0.000 0.490 307 I N 1.869 122.396 120.570 -0.072 0.000 2.307 307 I HA 0.209 4.382 4.170 0.006 0.000 0.289 307 I C -0.955 175.153 176.117 -0.016 0.000 1.021 307 I CA -0.237 61.073 61.300 0.017 0.000 1.224 307 I CB -0.235 37.767 38.000 0.004 0.000 1.376 307 I HN 0.489 nan 8.210 nan 0.000 0.470 308 Y N 5.162 125.629 120.300 0.279 0.000 2.326 308 Y HA 0.483 5.036 4.550 0.005 0.000 0.337 308 Y C 0.337 176.432 175.900 0.325 0.000 1.023 308 Y CA -0.707 57.580 58.100 0.312 0.000 1.143 308 Y CB 1.642 40.302 38.460 0.333 0.000 1.183 308 Y HN 0.222 nan 8.280 nan 0.000 0.485 309 V N 5.187 125.326 119.914 0.375 0.000 2.444 309 V HA 0.400 4.524 4.120 0.006 0.000 0.294 309 V C -0.761 175.400 176.094 0.112 0.000 1.022 309 V CA -1.128 61.355 62.300 0.306 0.000 0.850 309 V CB 1.014 32.995 31.823 0.264 0.000 0.992 309 V HN 0.533 nan 8.190 nan 0.000 0.426 310 F N 2.213 122.226 119.950 0.105 0.000 2.522 310 F HA 0.770 5.300 4.527 0.004 0.000 0.324 310 F C 0.697 176.518 175.800 0.034 0.000 1.077 310 F CA -0.672 57.327 58.000 -0.002 0.000 0.944 310 F CB 1.851 40.823 39.000 -0.047 0.000 1.175 310 F HN 0.576 nan 8.300 nan 0.000 0.468 311 A N 1.161 124.071 122.820 0.149 0.000 2.440 311 A HA 0.321 4.644 4.320 0.006 0.000 0.251 311 A C 1.103 178.796 177.584 0.182 0.000 1.089 311 A CA 0.287 52.411 52.037 0.146 0.000 0.779 311 A CB 0.189 19.258 19.000 0.114 0.000 1.022 311 A HN 0.951 nan 8.150 nan 0.000 0.492 312 S N 2.084 117.882 115.700 0.163 0.000 2.453 312 S HA 0.383 4.856 4.470 0.006 0.000 0.231 312 S C 0.995 175.689 174.600 0.156 0.000 1.005 312 S CA 0.820 59.115 58.200 0.158 0.000 0.949 312 S CB -0.675 62.603 63.200 0.131 0.000 0.774 312 S HN 2.673 nan 8.310 nan 0.000 0.510 313 G N 0.559 109.453 108.800 0.156 0.000 2.484 313 G HA2 -0.000 3.963 3.960 0.006 0.000 0.685 313 G HA3 -0.000 3.963 3.960 0.006 0.000 0.685 313 G C -0.689 174.310 174.900 0.165 0.000 1.294 313 G CA -0.400 44.788 45.100 0.146 0.000 0.879 313 G HN 0.167 nan 8.290 nan 0.000 0.646 314 N N 0.049 118.832 118.700 0.138 0.000 2.234 314 N HA 0.204 4.948 4.740 0.006 0.000 0.227 314 N C 1.546 177.138 175.510 0.138 0.000 1.151 314 N CA 0.630 53.777 53.050 0.161 0.000 0.865 314 N CB 1.258 39.766 38.487 0.036 0.000 1.066 314 N HN 0.960 nan 8.380 nan 0.000 0.515 315 G N -0.327 108.538 108.800 0.108 0.000 3.314 315 G HA2 0.124 4.088 3.960 0.006 0.000 0.238 315 G HA3 0.124 4.088 3.960 0.006 0.000 0.238 315 G C 1.366 176.306 174.900 0.067 0.000 1.184 315 G CA 0.141 45.285 45.100 0.074 0.000 0.806 315 G HN 0.253 nan 8.290 nan 0.000 0.536 316 G N 1.271 110.125 108.800 0.090 0.000 2.505 316 G HA2 -0.298 3.666 3.960 0.006 0.000 0.220 316 G HA3 -0.298 3.666 3.960 0.006 0.000 0.220 316 G C 1.887 176.816 174.900 0.048 0.000 1.145 316 G CA 1.918 47.060 45.100 0.070 0.000 0.761 316 G HN 0.569 nan 8.290 nan 0.000 0.571 317 T N -2.132 112.453 114.554 0.052 0.000 3.113 317 T HA 0.162 4.516 4.350 0.006 0.000 0.256 317 T C 1.918 176.631 174.700 0.023 0.000 1.131 317 T CA 0.318 62.439 62.100 0.035 0.000 1.074 317 T CB -0.017 68.875 68.868 0.040 0.000 0.944 317 T HN 0.322 nan 8.240 nan 0.000 0.516 318 R N 0.378 120.891 120.500 0.022 0.000 2.427 318 R HA 0.397 4.740 4.340 0.006 0.000 0.262 318 R C 1.589 177.882 176.300 -0.012 0.000 0.943 318 R CA 0.230 56.335 56.100 0.009 0.000 1.081 318 R CB 0.268 30.578 30.300 0.017 0.000 1.166 318 R HN 0.492 nan 8.270 nan 0.000 0.534 319 G N 1.478 110.268 108.800 -0.017 0.000 2.162 319 G HA2 -0.288 3.675 3.960 0.006 0.000 0.260 319 G HA3 -0.288 3.675 3.960 0.006 0.000 0.260 319 G C -0.114 174.740 174.900 -0.077 0.000 0.976 319 G CA 0.362 45.435 45.100 -0.044 0.000 0.655 319 G HN 0.378 nan 8.290 nan 0.000 0.533 320 D N 0.298 120.669 120.400 -0.048 0.000 2.344 320 D HA 0.492 5.136 4.640 0.006 0.000 0.244 320 D C 0.198 176.490 176.300 -0.014 0.000 1.134 320 D CA -0.180 53.784 54.000 -0.060 0.000 0.930 320 D CB 0.548 41.349 40.800 0.002 0.000 1.175 320 D HN 0.235 nan 8.370 nan 0.000 0.437 321 N N 0.899 119.615 118.700 0.027 0.000 2.324 321 N HA 0.048 4.792 4.740 0.006 0.000 0.285 321 N C 0.363 176.059 175.510 0.311 0.000 1.076 321 N CA -0.614 52.533 53.050 0.161 0.000 0.864 321 N CB 1.153 39.761 38.487 0.203 0.000 1.632 321 N HN 0.503 nan 8.380 nan 0.000 0.478 322 c N 1.401 120.160 118.600 0.266 0.000 2.539 322 c HA 0.249 4.822 4.570 0.006 0.000 0.271 322 c C 1.460 175.755 174.090 0.343 0.000 1.412 322 c CA -0.442 56.051 56.329 0.274 0.000 1.729 322 c CB -1.466 41.162 42.510 0.196 0.000 1.739 322 c HN 0.561 nan 8.230 nan 0.000 0.570 323 N N 0.018 118.984 118.700 0.442 0.000 2.398 323 N HA 0.091 4.834 4.740 0.006 0.000 0.188 323 N C 0.321 176.142 175.510 0.518 0.000 1.122 323 N CA 0.474 53.803 53.050 0.465 0.000 0.866 323 N CB -0.207 38.546 38.487 0.443 0.000 0.970 323 N HN 0.758 nan 8.380 nan 0.000 0.462 324 Y N -0.835 119.713 120.300 0.414 0.000 2.555 324 Y HA 0.220 4.773 4.550 0.006 0.000 0.259 324 Y C 0.056 176.094 175.900 0.230 0.000 1.179 324 Y CA -0.539 57.688 58.100 0.211 0.000 1.230 324 Y CB 0.629 39.141 38.460 0.087 0.000 1.146 324 Y HN -0.123 nan 8.280 nan 0.000 0.526 325 D N -0.275 120.427 120.400 0.504 0.000 2.542 325 D HA 0.201 4.845 4.640 0.006 0.000 0.252 325 D C 0.901 177.417 176.300 0.361 0.000 1.222 325 D CA -0.396 53.849 54.000 0.409 0.000 0.895 325 D CB 1.698 42.678 40.800 0.300 0.000 1.207 325 D HN 0.271 nan 8.370 nan 0.000 0.558 326 G N 2.109 111.106 108.800 0.329 0.000 2.744 326 G HA2 -0.178 3.785 3.960 0.006 0.000 0.211 326 G HA3 -0.178 3.785 3.960 0.006 0.000 0.211 326 G C 0.691 175.391 174.900 -0.334 0.000 1.143 326 G CA 0.536 45.589 45.100 -0.078 0.000 0.788 326 G HN 0.477 nan 8.290 nan 0.000 0.534 327 Y N 1.314 121.483 120.300 -0.219 0.000 2.231 327 Y HA -0.041 4.512 4.550 0.005 0.000 0.294 327 Y C 3.260 178.767 175.900 -0.655 0.000 1.120 327 Y CA 1.577 59.309 58.100 -0.612 0.000 1.141 327 Y CB -0.593 37.370 38.460 -0.828 0.000 1.022 327 Y HN 0.219 nan 8.280 nan 0.000 0.523 328 T N -1.257 113.197 114.554 -0.166 0.000 2.821 328 T HA -0.196 4.157 4.350 0.006 0.000 0.267 328 T C 1.290 175.981 174.700 -0.016 0.000 1.046 328 T CA 1.398 63.470 62.100 -0.047 0.000 1.139 328 T CB -0.924 68.003 68.868 0.098 0.000 0.871 328 T HN 0.618 nan 8.240 nan 0.000 0.454 329 N N 0.889 119.576 118.700 -0.020 0.000 2.383 329 N HA 0.051 4.794 4.740 0.006 0.000 0.192 329 N C 0.563 175.977 175.510 -0.160 0.000 1.141 329 N CA -0.225 52.809 53.050 -0.027 0.000 0.851 329 N CB 0.057 38.574 38.487 0.051 0.000 0.976 329 N HN 0.258 nan 8.380 nan 0.000 0.465 330 S N 1.069 116.626 115.700 -0.239 0.000 2.560 330 S HA 0.032 4.505 4.470 0.006 0.000 0.284 330 S C 1.468 175.862 174.600 -0.343 0.000 1.327 330 S CA -0.793 57.205 58.200 -0.336 0.000 1.055 330 S CB 0.278 63.284 63.200 -0.323 0.000 0.868 330 S HN 0.405 nan 8.310 nan 0.000 0.506 331 I N 2.701 122.872 120.570 -0.665 0.000 2.830 331 I HA -0.028 4.145 4.170 0.006 0.000 0.263 331 I C 0.987 176.786 176.117 -0.531 0.000 1.230 331 I CA 1.078 61.852 61.300 -0.878 0.000 1.480 331 I CB -0.442 36.629 38.000 -1.549 0.000 1.095 331 I HN 0.727 nan 8.210 nan 0.000 0.455 332 Y N 2.192 122.374 120.300 -0.195 0.000 2.519 332 Y HA 0.137 4.691 4.550 0.008 0.000 0.287 332 Y C 1.685 177.654 175.900 0.116 0.000 1.128 332 Y CA -0.004 58.008 58.100 -0.148 0.000 1.282 332 Y CB -0.099 38.121 38.460 -0.400 0.000 1.027 332 Y HN 0.249 nan 8.280 nan 0.000 0.551 333 S N 0.533 116.355 115.700 0.204 0.000 2.525 333 S HA 0.515 4.988 4.470 0.006 0.000 0.290 333 S C -0.579 174.227 174.600 0.343 0.000 1.152 333 S CA -0.839 57.564 58.200 0.339 0.000 1.072 333 S CB 1.202 64.538 63.200 0.227 0.000 1.027 333 S HN 0.178 nan 8.310 nan 0.000 0.500 334 I N 2.944 123.750 120.570 0.393 0.000 2.291 334 I HA 0.167 4.340 4.170 0.006 0.000 0.292 334 I C 0.169 176.480 176.117 0.323 0.000 1.064 334 I CA -0.221 61.285 61.300 0.342 0.000 1.269 334 I CB 0.665 38.871 38.000 0.344 0.000 1.418 334 I HN 0.613 nan 8.210 nan 0.000 0.485 335 T N 7.292 122.007 114.554 0.268 0.000 2.780 335 T HA 0.420 4.773 4.350 0.006 0.000 0.294 335 T C 0.081 174.903 174.700 0.203 0.000 0.949 335 T CA -0.151 62.091 62.100 0.236 0.000 1.074 335 T CB 0.660 69.644 68.868 0.193 0.000 0.910 335 T HN 0.208 nan 8.240 nan 0.000 0.501 336 I N 3.392 124.073 120.570 0.184 0.000 2.418 336 I HA 0.427 4.601 4.170 0.006 0.000 0.287 336 I C 0.918 177.105 176.117 0.116 0.000 1.008 336 I CA -0.568 60.816 61.300 0.141 0.000 1.104 336 I CB 1.200 39.275 38.000 0.124 0.000 1.264 336 I HN 0.684 nan 8.210 nan 0.000 0.438 337 G N 4.173 113.027 108.800 0.090 0.000 2.535 337 G HA2 0.716 4.679 3.960 0.006 0.000 0.303 337 G HA3 0.716 4.679 3.960 0.006 0.000 0.303 337 G C -0.722 174.214 174.900 0.061 0.000 1.237 337 G CA -0.444 44.700 45.100 0.073 0.000 0.986 337 G HN 0.712 nan 8.290 nan 0.000 0.494 338 A N -0.695 122.154 122.820 0.048 0.000 2.340 338 A HA 0.785 5.109 4.320 0.006 0.000 0.331 338 A C -0.194 177.385 177.584 -0.008 0.000 1.140 338 A CA -0.691 51.368 52.037 0.037 0.000 0.801 338 A CB 0.831 19.907 19.000 0.126 0.000 1.234 338 A HN 1.097 nan 8.150 nan 0.000 0.469 339 I N -0.900 119.665 120.570 -0.009 0.000 2.892 339 I HA 0.699 4.872 4.170 0.006 0.000 0.306 339 I C -0.621 175.573 176.117 0.129 0.000 1.078 339 I CA -1.075 60.237 61.300 0.020 0.000 1.032 339 I CB 2.170 40.164 38.000 -0.010 0.000 1.229 339 I HN 0.679 nan 8.210 nan 0.000 0.435 340 D N 1.428 121.886 120.400 0.098 0.000 2.506 340 D HA 0.089 4.732 4.640 0.006 0.000 0.272 340 D C 1.099 177.459 176.300 0.101 0.000 1.214 340 D CA -0.105 53.971 54.000 0.127 0.000 1.067 340 D CB 0.100 40.879 40.800 -0.036 0.000 1.117 340 D HN 0.763 nan 8.370 nan 0.000 0.578 341 H N -1.032 117.735 119.070 -0.505 0.000 2.567 341 H HA 0.071 4.630 4.556 0.005 0.000 0.276 341 H C 0.051 174.965 175.328 -0.690 0.000 1.016 341 H CA 0.622 56.089 56.048 -0.968 0.000 1.186 341 H CB -0.078 28.518 29.762 -1.944 0.000 1.351 341 H HN 0.385 nan 8.280 nan 0.000 0.605 342 K N 0.498 120.294 120.400 -1.007 0.000 2.414 342 K HA 0.055 4.379 4.320 0.006 0.000 0.204 342 K C -0.503 175.860 176.600 -0.395 0.000 1.026 342 K CA 0.153 55.758 56.287 -1.137 0.000 1.108 342 K CB 0.791 32.498 32.500 -1.321 0.000 0.855 342 K HN 0.025 nan 8.250 nan 0.000 0.517 343 D N 1.345 121.678 120.400 -0.112 0.000 2.772 343 D HA -0.164 4.479 4.640 0.006 0.000 0.233 343 D C -0.868 175.421 176.300 -0.018 0.000 1.143 343 D CA 0.964 54.981 54.000 0.028 0.000 0.700 343 D CB -1.165 39.663 40.800 0.046 0.000 1.076 343 D HN 0.241 nan 8.370 nan 0.000 0.430 344 L N -0.507 120.692 121.223 -0.040 0.000 2.334 344 L HA 0.475 4.819 4.340 0.006 0.000 0.270 344 L C 0.808 177.743 176.870 0.108 0.000 1.018 344 L CA -1.246 53.610 54.840 0.026 0.000 0.811 344 L CB 1.256 43.278 42.059 -0.063 0.000 1.271 344 L HN 0.046 nan 8.230 nan 0.000 0.443 345 H N 2.688 121.817 119.070 0.099 0.000 2.899 345 H HA 0.207 4.766 4.556 0.005 0.000 0.303 345 H C -2.411 172.819 175.328 -0.163 0.000 1.042 345 H CA -1.351 54.679 56.048 -0.028 0.000 1.479 345 H CB 0.719 30.412 29.762 -0.114 0.000 1.493 345 H HN 0.160 nan 8.280 nan 0.000 0.534 346 P HA 0.130 nan 4.420 nan 0.000 0.281 346 P C -2.281 174.311 177.300 -1.180 0.000 1.252 346 P CA -1.828 60.767 63.100 -0.842 0.000 0.778 346 P CB 1.285 32.346 31.700 -1.065 0.000 0.895 347 P HA -0.215 nan 4.420 nan 0.000 0.218 347 P C 1.161 178.311 177.300 -0.249 0.000 1.146 347 P CA 1.479 64.375 63.100 -0.340 0.000 0.820 347 P CB -0.562 31.075 31.700 -0.104 0.000 0.778 348 Y N -1.987 118.215 120.300 -0.164 0.000 2.373 348 Y HA 0.135 4.688 4.550 0.005 0.000 0.293 348 Y C 1.152 177.016 175.900 -0.059 0.000 1.129 348 Y CA -0.111 57.942 58.100 -0.079 0.000 1.226 348 Y CB -1.473 36.954 38.460 -0.055 0.000 1.000 348 Y HN -0.230 nan 8.280 nan 0.000 0.549 349 S N 2.039 117.499 115.700 -0.399 0.000 2.465 349 S HA 0.033 4.506 4.470 0.006 0.000 0.280 349 S C -0.146 174.497 174.600 0.072 0.000 1.232 349 S CA -0.537 57.601 58.200 -0.102 0.000 1.066 349 S CB -0.223 62.803 63.200 -0.289 0.000 0.929 349 S HN 0.510 nan 8.310 nan 0.000 0.494 350 E N 2.965 123.231 120.200 0.110 0.000 2.373 350 E HA 0.396 4.749 4.350 0.006 0.000 0.267 350 E C 0.584 177.217 176.600 0.055 0.000 1.032 350 E CA -0.204 56.251 56.400 0.091 0.000 0.889 350 E CB 0.803 30.571 29.700 0.113 0.000 0.984 350 E HN 0.710 nan 8.360 nan 0.000 0.425 351 G N 0.937 109.746 108.800 0.015 0.000 2.489 351 G HA2 0.625 4.588 3.960 0.006 0.000 0.327 351 G HA3 0.625 4.588 3.960 0.006 0.000 0.327 351 G C -0.726 174.209 174.900 0.060 0.000 1.189 351 G CA -0.404 44.681 45.100 -0.026 0.000 0.962 351 G HN 0.785 nan 8.290 nan 0.000 0.486 352 c N -1.751 116.892 118.600 0.072 0.000 3.216 352 c HA 0.602 5.175 4.570 0.006 0.000 0.346 352 c C 1.342 175.454 174.090 0.036 0.000 1.384 352 c CA 0.008 56.422 56.329 0.143 0.000 1.208 352 c CB 1.081 43.704 42.510 0.188 0.000 1.483 352 c HN 1.158 nan 8.230 nan 0.000 0.453 353 S N 0.221 115.916 115.700 -0.009 0.000 2.603 353 S HA 0.229 4.702 4.470 0.006 0.000 0.229 353 S C 1.156 175.736 174.600 -0.032 0.000 0.972 353 S CA 1.013 59.062 58.200 -0.251 0.000 0.935 353 S CB -0.333 62.763 63.200 -0.174 0.000 0.769 353 S HN 1.828 nan 8.310 nan 0.000 0.536 354 A N 0.757 123.623 122.820 0.077 0.000 2.303 354 A HA 0.522 4.845 4.320 0.006 0.000 0.217 354 A C 0.657 178.338 177.584 0.163 0.000 1.205 354 A CA -0.231 51.884 52.037 0.130 0.000 0.875 354 A CB 0.010 19.090 19.000 0.134 0.000 0.910 354 A HN 0.364 nan 8.150 nan 0.000 0.501 355 V N 1.960 121.961 119.914 0.146 0.000 2.529 355 V HA -0.036 4.088 4.120 0.006 0.000 0.292 355 V C 1.286 177.510 176.094 0.218 0.000 1.028 355 V CA 0.550 62.932 62.300 0.138 0.000 1.074 355 V CB 0.565 32.409 31.823 0.035 0.000 0.958 355 V HN 0.558 nan 8.190 nan 0.000 0.481 356 M N 3.440 123.176 119.600 0.226 0.000 2.429 356 M HA 0.343 4.827 4.480 0.006 0.000 0.265 356 M C 0.681 177.158 176.300 0.294 0.000 1.120 356 M CA 1.067 56.542 55.300 0.293 0.000 1.173 356 M CB 0.282 33.014 32.600 0.219 0.000 1.343 356 M HN 0.749 nan 8.290 nan 0.000 0.464 357 A N 0.137 123.075 122.820 0.197 0.000 2.581 357 A HA 0.661 4.984 4.320 0.006 0.000 0.290 357 A C -1.138 176.512 177.584 0.110 0.000 1.119 357 A CA -0.762 51.373 52.037 0.164 0.000 0.670 357 A CB 1.161 20.251 19.000 0.151 0.000 1.280 357 A HN 0.101 nan 8.150 nan 0.000 0.425 358 V N -2.343 117.623 119.914 0.087 0.000 2.960 358 V HA 0.989 5.113 4.120 0.006 0.000 0.315 358 V C -0.223 175.841 176.094 -0.051 0.000 1.087 358 V CA 0.140 62.464 62.300 0.041 0.000 0.982 358 V CB 1.284 33.159 31.823 0.087 0.000 1.039 358 V HN 1.557 nan 8.190 nan 0.000 0.437 359 T N 0.527 115.024 114.554 -0.096 0.000 2.647 359 T HA 0.597 4.950 4.350 0.006 0.000 0.295 359 T C -1.490 173.083 174.700 -0.212 0.000 1.126 359 T CA -0.474 61.493 62.100 -0.222 0.000 1.040 359 T CB 1.396 70.218 68.868 -0.077 0.000 1.472 359 T HN 0.633 nan 8.240 nan 0.000 0.500 360 Y N 1.135 121.502 120.300 0.112 0.000 2.346 360 Y HA 0.580 5.133 4.550 0.005 0.000 0.330 360 Y C 1.104 177.079 175.900 0.125 0.000 1.178 360 Y CA 0.452 58.667 58.100 0.192 0.000 1.331 360 Y CB 1.334 39.949 38.460 0.258 0.000 1.253 360 Y HN 0.570 nan 8.280 nan 0.000 0.529 361 S N 0.140 116.095 115.700 0.425 0.000 2.873 361 S HA 0.435 4.908 4.470 0.006 0.000 0.303 361 S C -0.949 173.901 174.600 0.416 0.000 1.222 361 S CA -0.521 57.851 58.200 0.288 0.000 0.923 361 S CB 0.020 63.326 63.200 0.176 0.000 1.286 361 S HN 0.697 nan 8.310 nan 0.000 0.571 362 S N 0.098 115.944 115.700 0.244 0.000 2.593 362 S HA 0.726 5.199 4.470 0.006 0.000 0.269 362 S C 0.510 175.178 174.600 0.113 0.000 1.334 362 S CA 0.375 58.634 58.200 0.099 0.000 1.015 362 S CB 0.309 63.452 63.200 -0.095 0.000 0.912 362 S HN 1.982 nan 8.310 nan 0.000 0.541 363 G N -0.315 108.432 108.800 -0.088 0.000 2.326 363 G HA2 0.347 4.310 3.960 0.006 0.000 0.413 363 G HA3 0.347 4.310 3.960 0.006 0.000 0.413 363 G C -0.152 174.701 174.900 -0.078 0.000 1.444 363 G CA -0.334 44.730 45.100 -0.060 0.000 1.002 363 G HN 1.686 nan 8.290 nan 0.000 0.649 364 S N -1.029 114.627 115.700 -0.073 0.000 3.549 364 S HA 0.091 4.564 4.470 0.006 0.000 0.366 364 S C 2.356 176.976 174.600 0.034 0.000 1.012 364 S CA 2.592 60.773 58.200 -0.033 0.000 1.141 364 S CB -1.281 61.845 63.200 -0.124 0.000 0.910 364 S HN 2.897 nan 8.310 nan 0.000 0.471 365 G N -0.945 107.806 108.800 -0.081 0.000 2.179 365 G HA2 -0.267 3.697 3.960 0.006 0.000 0.260 365 G HA3 -0.267 3.697 3.960 0.006 0.000 0.260 365 G C -0.213 174.587 174.900 -0.167 0.000 0.977 365 G CA 0.536 45.591 45.100 -0.075 0.000 0.641 365 G HN 0.571 nan 8.290 nan 0.000 0.533 366 E N -0.916 119.070 120.200 -0.358 0.000 2.249 366 E HA 0.778 5.131 4.350 0.006 0.000 0.263 366 E C -0.753 175.666 176.600 -0.303 0.000 0.950 366 E CA -0.540 55.669 56.400 -0.318 0.000 0.827 366 E CB 1.453 30.609 29.700 -0.907 0.000 1.220 366 E HN 0.240 nan 8.360 nan 0.000 0.411 367 Y N -0.493 119.925 120.300 0.197 0.000 2.669 367 Y HA 0.371 4.924 4.550 0.005 0.000 0.335 367 Y C 0.143 176.107 175.900 0.107 0.000 1.116 367 Y CA -1.000 57.149 58.100 0.081 0.000 1.081 367 Y CB 1.006 39.387 38.460 -0.132 0.000 1.297 367 Y HN 0.260 nan 8.280 nan 0.000 0.484 368 I N 1.962 122.596 120.570 0.107 0.000 2.371 368 I HA 0.137 4.311 4.170 0.006 0.000 0.290 368 I C -0.554 175.487 176.117 -0.127 0.000 1.028 368 I CA -0.574 60.684 61.300 -0.069 0.000 1.345 368 I CB 0.236 38.135 38.000 -0.169 0.000 1.407 368 I HN 0.588 nan 8.210 nan 0.000 0.501 369 H N 3.930 123.056 119.070 0.094 0.000 2.552 369 H HA 0.558 5.117 4.556 0.005 0.000 0.311 369 H C 0.113 175.498 175.328 0.095 0.000 1.071 369 H CA -0.010 56.096 56.048 0.097 0.000 1.307 369 H CB 1.451 31.261 29.762 0.080 0.000 1.416 369 H HN 0.603 nan 8.280 nan 0.000 0.464 370 S N 1.400 117.172 115.700 0.119 0.000 2.843 370 S HA 0.500 4.973 4.470 0.006 0.000 0.301 370 S C -0.629 173.974 174.600 0.005 0.000 1.206 370 S CA -0.546 57.697 58.200 0.072 0.000 0.875 370 S CB 0.333 63.559 63.200 0.043 0.000 1.248 370 S HN 0.664 nan 8.310 nan 0.000 0.555 371 S N 1.039 116.741 115.700 0.002 0.000 2.624 371 S HA 0.670 5.143 4.470 0.006 0.000 0.263 371 S C -0.658 173.926 174.600 -0.027 0.000 1.287 371 S CA -0.182 58.021 58.200 0.004 0.000 0.990 371 S CB 0.863 64.109 63.200 0.077 0.000 0.950 371 S HN 0.723 nan 8.310 nan 0.000 0.561 372 D N -1.133 119.270 120.400 0.005 0.000 2.643 372 D HA 0.427 5.071 4.640 0.006 0.000 0.283 372 D C -0.218 176.098 176.300 0.025 0.000 1.242 372 D CA -0.836 53.163 54.000 -0.003 0.000 0.863 372 D CB 1.369 42.156 40.800 -0.021 0.000 1.382 372 D HN 0.696 nan 8.370 nan 0.000 0.444 373 I N -0.960 119.625 120.570 0.026 0.000 3.079 373 I HA 0.360 4.534 4.170 0.006 0.000 0.295 373 I C 0.316 176.440 176.117 0.012 0.000 1.094 373 I CA -0.478 60.829 61.300 0.011 0.000 1.295 373 I CB 0.318 38.330 38.000 0.019 0.000 1.443 373 I HN 0.352 nan 8.210 nan 0.000 0.607 374 N N 2.028 120.724 118.700 -0.007 0.000 2.741 374 N HA -0.184 4.559 4.740 0.006 0.000 0.250 374 N C 0.899 176.424 175.510 0.025 0.000 1.115 374 N CA 1.209 54.257 53.050 -0.003 0.000 0.724 374 N CB -1.666 36.819 38.487 -0.003 0.000 1.090 374 N HN 1.387 nan 8.380 nan 0.000 0.558 375 G N -0.611 108.221 108.800 0.053 0.000 2.187 375 G HA2 -0.384 3.580 3.960 0.006 0.000 0.261 375 G HA3 -0.384 3.580 3.960 0.006 0.000 0.261 375 G C 0.264 175.302 174.900 0.230 0.000 1.000 375 G CA 1.122 46.308 45.100 0.143 0.000 0.718 375 G HN 0.616 nan 8.290 nan 0.000 0.519 376 R N -1.335 119.239 120.500 0.123 0.000 2.828 376 R HA 0.626 4.970 4.340 0.006 0.000 0.264 376 R C 0.455 176.742 176.300 -0.022 0.000 1.022 376 R CA -0.352 55.774 56.100 0.044 0.000 1.021 376 R CB 1.045 31.349 30.300 0.006 0.000 1.163 376 R HN 0.243 nan 8.270 nan 0.000 0.494 377 c N 0.133 118.667 118.600 -0.110 0.000 2.443 377 c HA 0.346 4.919 4.570 0.006 0.000 0.369 377 c C 0.870 174.923 174.090 -0.061 0.000 1.241 377 c CA -0.555 55.702 56.329 -0.119 0.000 2.413 377 c CB 1.091 43.507 42.510 -0.157 0.000 2.451 377 c HN 0.628 nan 8.230 nan 0.000 0.595 378 S N 1.148 116.818 115.700 -0.049 0.000 2.442 378 S HA 0.285 4.758 4.470 0.006 0.000 0.297 378 S C 0.427 175.007 174.600 -0.033 0.000 1.131 378 S CA -0.431 57.735 58.200 -0.057 0.000 1.092 378 S CB 0.005 63.157 63.200 -0.081 0.000 0.998 378 S HN 0.755 nan 8.310 nan 0.000 0.478 379 N N 2.842 121.502 118.700 -0.067 0.000 2.204 379 N HA 0.196 4.939 4.740 0.006 0.000 0.219 379 N C -0.395 174.926 175.510 -0.316 0.000 1.151 379 N CA -0.020 52.978 53.050 -0.086 0.000 0.867 379 N CB 1.029 39.572 38.487 0.093 0.000 1.043 379 N HN 0.448 nan 8.380 nan 0.000 0.516 380 S N -0.560 114.975 115.700 -0.275 0.000 3.031 380 S HA 0.062 4.535 4.470 0.006 0.000 0.253 380 S C -0.238 174.367 174.600 0.008 0.000 0.996 380 S CA -0.487 57.467 58.200 -0.410 0.000 1.098 380 S CB 0.492 63.374 63.200 -0.530 0.000 1.042 380 S HN 0.332 nan 8.310 nan 0.000 0.593 381 H N 1.870 120.908 119.070 -0.053 0.000 2.732 381 H HA 0.643 5.202 4.556 0.005 0.000 0.351 381 H C 0.575 175.948 175.328 0.074 0.000 1.090 381 H CA 1.349 57.394 56.048 -0.005 0.000 1.431 381 H CB 0.401 30.132 29.762 -0.053 0.000 1.447 381 H HN 0.410 nan 8.280 nan 0.000 0.582 382 G N 0.956 109.593 108.800 -0.272 0.000 2.494 382 G HA2 0.517 4.480 3.960 0.006 0.000 0.308 382 G HA3 0.517 4.480 3.960 0.006 0.000 0.308 382 G C -0.197 174.526 174.900 -0.295 0.000 1.263 382 G CA 0.040 45.006 45.100 -0.222 0.000 0.840 382 G HN 1.162 nan 8.290 nan 0.000 0.479 383 G N -1.905 106.668 108.800 -0.378 0.000 2.855 383 G HA2 0.199 4.162 3.960 0.006 0.000 0.352 383 G HA3 0.199 4.162 3.960 0.006 0.000 0.352 383 G C 1.190 176.030 174.900 -0.100 0.000 1.415 383 G CA 0.780 45.558 45.100 -0.537 0.000 0.871 383 G HN 2.193 nan 8.290 nan 0.000 0.543 384 T N -2.386 112.208 114.554 0.068 0.000 2.977 384 T HA 0.002 4.355 4.350 0.006 0.000 0.271 384 T C 2.396 177.139 174.700 0.072 0.000 1.105 384 T CA 2.152 64.344 62.100 0.152 0.000 1.116 384 T CB -0.193 68.788 68.868 0.188 0.000 0.878 384 T HN 0.873 nan 8.240 nan 0.000 0.509 385 S N 1.542 117.270 115.700 0.047 0.000 2.419 385 S HA 0.107 4.581 4.470 0.006 0.000 0.235 385 S C 2.338 176.904 174.600 -0.058 0.000 1.019 385 S CA 0.920 59.159 58.200 0.065 0.000 0.982 385 S CB -0.506 62.800 63.200 0.178 0.000 0.789 385 S HN 0.809 nan 8.310 nan 0.000 0.490 386 A N 0.289 122.974 122.820 -0.224 0.000 2.195 386 A HA 0.580 4.903 4.320 0.006 0.000 0.210 386 A C 2.032 179.546 177.584 -0.116 0.000 1.165 386 A CA 0.870 52.717 52.037 -0.317 0.000 0.806 386 A CB -0.366 18.229 19.000 -0.674 0.000 0.847 386 A HN 0.446 nan 8.150 nan 0.000 0.482 387 A N 0.185 122.985 122.820 -0.033 0.000 1.861 387 A HA 0.334 4.657 4.320 0.006 0.000 0.212 387 A C 2.462 180.054 177.584 0.012 0.000 1.199 387 A CA 1.483 53.526 52.037 0.010 0.000 0.613 387 A CB -1.140 17.892 19.000 0.053 0.000 0.846 387 A HN 0.964 nan 8.150 nan 0.000 0.446 388 A N 0.543 123.384 122.820 0.034 0.000 1.903 388 A HA -0.133 4.190 4.320 0.006 0.000 0.219 388 A C 0.150 177.752 177.584 0.030 0.000 1.191 388 A CA 2.248 54.312 52.037 0.045 0.000 0.638 388 A CB -1.879 17.152 19.000 0.051 0.000 0.823 388 A HN 0.452 nan 8.150 nan 0.000 0.451 389 P HA -0.097 nan 4.420 nan 0.000 0.220 389 P C 1.399 178.710 177.300 0.018 0.000 1.148 389 P CA 0.734 63.858 63.100 0.041 0.000 0.803 389 P CB -0.131 31.608 31.700 0.064 0.000 0.782 390 L N -1.169 120.050 121.223 -0.006 0.000 2.093 390 L HA -0.119 4.224 4.340 0.006 0.000 0.208 390 L C 2.448 179.274 176.870 -0.075 0.000 1.085 390 L CA 1.475 56.310 54.840 -0.007 0.000 0.755 390 L CB -1.166 40.897 42.059 0.007 0.000 0.904 390 L HN -0.026 nan 8.230 nan 0.000 0.435 391 A N 0.297 123.040 122.820 -0.129 0.000 1.877 391 A HA -0.180 4.144 4.320 0.006 0.000 0.216 391 A C 2.551 179.819 177.584 -0.526 0.000 1.186 391 A CA 1.775 53.594 52.037 -0.362 0.000 0.620 391 A CB -0.680 18.175 19.000 -0.242 0.000 0.822 391 A HN 0.393 nan 8.150 nan 0.000 0.443 392 A N -0.495 122.237 122.820 -0.148 0.000 1.902 392 A HA 0.097 4.421 4.320 0.006 0.000 0.217 392 A C 2.425 180.025 177.584 0.025 0.000 1.181 392 A CA 2.018 54.078 52.037 0.038 0.000 0.623 392 A CB -1.428 17.631 19.000 0.099 0.000 0.818 392 A HN 0.752 nan 8.150 nan 0.000 0.443 393 G N -0.558 108.244 108.800 0.004 0.000 2.421 393 G HA2 -0.132 3.832 3.960 0.006 0.000 0.216 393 G HA3 -0.132 3.832 3.960 0.006 0.000 0.216 393 G C 1.496 176.411 174.900 0.025 0.000 1.171 393 G CA 1.258 46.387 45.100 0.048 0.000 0.775 393 G HN 0.335 nan 8.290 nan 0.000 0.543 394 V N 0.134 120.004 119.914 -0.073 0.000 2.407 394 V HA -0.180 3.944 4.120 0.006 0.000 0.248 394 V C 2.455 178.545 176.094 -0.007 0.000 1.055 394 V CA 1.297 63.545 62.300 -0.088 0.000 1.049 394 V CB -0.716 30.997 31.823 -0.183 0.000 0.662 394 V HN 0.418 nan 8.190 nan 0.000 0.455 395 Y N 1.287 121.613 120.300 0.043 0.000 2.421 395 Y HA -0.165 4.389 4.550 0.007 0.000 0.292 395 Y C 2.883 178.801 175.900 0.029 0.000 1.136 395 Y CA 1.157 59.278 58.100 0.035 0.000 1.255 395 Y CB -1.648 36.840 38.460 0.046 0.000 0.991 395 Y HN 0.513 nan 8.280 nan 0.000 0.552 396 T N -2.349 112.303 114.554 0.162 0.000 2.867 396 T HA -0.128 4.225 4.350 0.006 0.000 0.268 396 T C 1.922 176.668 174.700 0.077 0.000 1.057 396 T CA 1.082 63.241 62.100 0.098 0.000 1.136 396 T CB -0.707 68.202 68.868 0.068 0.000 0.874 396 T HN 0.319 nan 8.240 nan 0.000 0.466 397 L N -0.089 121.182 121.223 0.079 0.000 2.056 397 L HA 0.098 4.441 4.340 0.006 0.000 0.207 397 L C 2.657 179.564 176.870 0.062 0.000 1.078 397 L CA 0.816 55.693 54.840 0.061 0.000 0.749 397 L CB -0.752 41.339 42.059 0.053 0.000 0.901 397 L HN 0.235 nan 8.230 nan 0.000 0.433 398 L N 0.212 121.490 121.223 0.092 0.000 2.012 398 L HA -0.200 4.143 4.340 0.006 0.000 0.210 398 L C 2.277 179.184 176.870 0.062 0.000 1.073 398 L CA 1.822 56.713 54.840 0.084 0.000 0.748 398 L CB -0.402 41.745 42.059 0.146 0.000 0.891 398 L HN 0.116 nan 8.230 nan 0.000 0.431 399 L N -0.880 120.386 121.223 0.072 0.000 2.291 399 L HA -0.115 4.228 4.340 0.006 0.000 0.214 399 L C 2.442 179.337 176.870 0.042 0.000 1.120 399 L CA 0.987 55.859 54.840 0.052 0.000 0.799 399 L CB -0.512 41.578 42.059 0.053 0.000 0.925 399 L HN 0.457 nan 8.230 nan 0.000 0.446 400 E N 0.875 121.099 120.200 0.041 0.000 2.028 400 E HA -0.210 4.144 4.350 0.006 0.000 0.191 400 E C 2.284 178.904 176.600 0.032 0.000 0.988 400 E CA 1.186 57.605 56.400 0.032 0.000 0.799 400 E CB 0.036 29.752 29.700 0.026 0.000 0.755 400 E HN 0.410 nan 8.360 nan 0.000 0.447 401 A N 0.774 123.614 122.820 0.033 0.000 1.933 401 A HA -0.125 4.198 4.320 0.006 0.000 0.218 401 A C 1.311 178.915 177.584 0.034 0.000 1.175 401 A CA 1.317 53.372 52.037 0.030 0.000 0.628 401 A CB -0.068 18.944 19.000 0.021 0.000 0.814 401 A HN 0.271 nan 8.150 nan 0.000 0.444 402 N N -1.455 117.267 118.700 0.037 0.000 2.675 402 N HA 0.283 5.026 4.740 0.006 0.000 0.254 402 N C -2.752 172.786 175.510 0.046 0.000 1.224 402 N CA -1.699 51.379 53.050 0.046 0.000 0.777 402 N CB 1.298 39.819 38.487 0.056 0.000 1.256 402 N HN -0.133 nan 8.380 nan 0.000 0.531 403 P HA 0.031 nan 4.420 nan 0.000 0.222 403 P C 0.521 177.851 177.300 0.050 0.000 1.147 403 P CA 0.859 63.985 63.100 0.042 0.000 0.790 403 P CB 0.394 32.115 31.700 0.036 0.000 0.780 404 N N -0.861 117.873 118.700 0.056 0.000 2.461 404 N HA 0.004 4.747 4.740 0.006 0.000 0.188 404 N C 0.204 175.762 175.510 0.080 0.000 1.134 404 N CA 0.294 53.381 53.050 0.063 0.000 0.878 404 N CB -0.266 38.254 38.487 0.056 0.000 0.972 404 N HN 0.130 nan 8.380 nan 0.000 0.456 405 L N 1.734 123.006 121.223 0.082 0.000 2.453 405 L HA 0.047 4.391 4.340 0.006 0.000 0.272 405 L C 1.481 178.408 176.870 0.096 0.000 1.182 405 L CA 0.161 55.055 54.840 0.090 0.000 0.858 405 L CB 0.186 42.273 42.059 0.047 0.000 1.120 405 L HN 0.130 nan 8.230 nan 0.000 0.474 406 T N 0.748 115.364 114.554 0.103 0.000 2.824 406 T HA 0.130 4.483 4.350 0.006 0.000 0.277 406 T C 1.466 176.247 174.700 0.136 0.000 0.975 406 T CA -0.428 61.751 62.100 0.133 0.000 0.966 406 T CB 0.630 69.554 68.868 0.094 0.000 1.054 406 T HN 0.670 nan 8.240 nan 0.000 0.533 407 W N 0.985 122.361 121.300 0.128 0.000 2.363 407 W HA -0.086 4.575 4.660 0.001 0.000 0.296 407 W C 1.664 178.303 176.519 0.200 0.000 1.212 407 W CA 0.662 58.089 57.345 0.138 0.000 1.260 407 W CB -0.953 28.613 29.460 0.176 0.000 1.131 407 W HN 0.659 nan 8.180 nan 0.000 0.530 408 R N 0.773 120.882 120.500 -0.652 0.000 2.090 408 R HA -0.097 4.247 4.340 0.006 0.000 0.228 408 R C 2.003 178.379 176.300 0.126 0.000 1.110 408 R CA 1.741 57.618 56.100 -0.372 0.000 0.973 408 R CB -0.446 29.553 30.300 -0.502 0.000 0.869 408 R HN 0.040 nan 8.270 nan 0.000 0.440 409 D N 0.236 120.676 120.400 0.067 0.000 2.123 409 D HA -0.151 4.492 4.640 0.006 0.000 0.196 409 D C 1.888 178.137 176.300 -0.086 0.000 0.992 409 D CA 1.314 55.371 54.000 0.096 0.000 0.833 409 D CB -0.071 40.817 40.800 0.145 0.000 0.954 409 D HN 0.041 nan 8.370 nan 0.000 0.455 410 V N 1.217 121.085 119.914 -0.077 0.000 2.392 410 V HA -0.256 3.867 4.120 0.006 0.000 0.249 410 V C 2.510 178.501 176.094 -0.172 0.000 1.059 410 V CA 1.574 63.768 62.300 -0.177 0.000 1.051 410 V CB -0.499 31.183 31.823 -0.235 0.000 0.658 410 V HN 0.210 nan 8.190 nan 0.000 0.455 411 Q N -1.452 118.311 119.800 -0.062 0.000 2.079 411 Q HA -0.180 4.163 4.340 0.006 0.000 0.200 411 Q C 2.240 177.998 176.000 -0.403 0.000 0.974 411 Q CA 1.837 57.556 55.803 -0.140 0.000 0.840 411 Q CB -0.257 28.515 28.738 0.057 0.000 0.898 411 Q HN 0.678 nan 8.270 nan 0.000 0.430 412 Y N 0.918 121.009 120.300 -0.349 0.000 2.114 412 Y HA -0.267 4.286 4.550 0.006 0.000 0.282 412 Y C 2.135 177.670 175.900 -0.609 0.000 1.165 412 Y CA 1.340 59.175 58.100 -0.441 0.000 1.148 412 Y CB -0.205 38.174 38.460 -0.134 0.000 0.972 412 Y HN 0.073 nan 8.280 nan 0.000 0.504 413 L N -1.466 119.454 121.223 -0.504 0.000 2.093 413 L HA -0.228 4.116 4.340 0.006 0.000 0.208 413 L C 2.435 179.130 176.870 -0.291 0.000 1.085 413 L CA 1.215 55.735 54.840 -0.533 0.000 0.755 413 L CB -0.589 41.136 42.059 -0.557 0.000 0.904 413 L HN 0.109 nan 8.230 nan 0.000 0.435 414 S N 0.228 115.802 115.700 -0.211 0.000 2.359 414 S HA -0.181 4.292 4.470 0.006 0.000 0.224 414 S C 1.946 176.444 174.600 -0.170 0.000 1.035 414 S CA 1.432 59.579 58.200 -0.089 0.000 1.018 414 S CB -0.294 62.913 63.200 0.013 0.000 0.876 414 S HN 0.282 nan 8.310 nan 0.000 0.448 415 I N 1.085 121.419 120.570 -0.394 0.000 2.179 415 I HA -0.180 3.993 4.170 0.006 0.000 0.242 415 I C 2.034 177.892 176.117 -0.432 0.000 1.088 415 I CA 1.234 62.161 61.300 -0.621 0.000 1.357 415 I CB -0.297 36.951 38.000 -1.253 0.000 1.051 415 I HN 0.221 nan 8.210 nan 0.000 0.409 416 L N -0.023 120.990 121.223 -0.349 0.000 2.240 416 L HA -0.097 4.247 4.340 0.006 0.000 0.211 416 L C 2.502 179.312 176.870 -0.101 0.000 1.106 416 L CA 1.243 55.966 54.840 -0.195 0.000 0.793 416 L CB -0.375 41.607 42.059 -0.128 0.000 0.927 416 L HN 0.330 nan 8.230 nan 0.000 0.446 417 S N -0.522 115.115 115.700 -0.105 0.000 2.524 417 S HA 0.229 4.702 4.470 0.006 0.000 0.216 417 S C 1.074 175.668 174.600 -0.010 0.000 0.987 417 S CA -0.051 58.120 58.200 -0.048 0.000 0.909 417 S CB -0.087 63.079 63.200 -0.057 0.000 0.781 417 S HN 0.170 nan 8.310 nan 0.000 0.521 418 A N 1.778 124.599 122.820 0.003 0.000 2.540 418 A HA 0.476 4.799 4.320 0.006 0.000 0.239 418 A C 0.138 177.756 177.584 0.056 0.000 1.061 418 A CA -0.223 51.849 52.037 0.057 0.000 0.758 418 A CB 0.051 19.131 19.000 0.133 0.000 0.991 418 A HN 0.411 nan 8.150 nan 0.000 0.502 419 V N 3.578 123.518 119.914 0.043 0.000 2.368 419 V HA 0.402 4.525 4.120 0.006 0.000 0.266 419 V C 1.320 177.401 176.094 -0.021 0.000 1.045 419 V CA 0.065 62.370 62.300 0.008 0.000 0.899 419 V CB 0.540 32.368 31.823 0.009 0.000 1.006 419 V HN 1.135 nan 8.190 nan 0.000 0.470 420 G N 4.517 113.262 108.800 -0.090 0.000 2.484 420 G HA2 0.327 4.291 3.960 0.006 0.000 0.235 420 G HA3 0.327 4.291 3.960 0.006 0.000 0.235 420 G C -0.008 174.653 174.900 -0.398 0.000 1.282 420 G CA -0.329 44.598 45.100 -0.289 0.000 0.857 420 G HN 0.735 nan 8.290 nan 0.000 0.571 421 L N 1.400 122.244 121.223 -0.632 0.000 3.096 421 L HA 0.234 4.578 4.340 0.006 0.000 0.272 421 L C 1.486 177.932 176.870 -0.707 0.000 1.311 421 L CA -0.098 54.457 54.840 -0.474 0.000 0.943 421 L CB 0.500 42.338 42.059 -0.367 0.000 1.348 421 L HN 0.671 nan 8.230 nan 0.000 0.562 422 E N 1.108 120.642 120.200 -1.112 0.000 2.267 422 E HA -0.237 4.116 4.350 0.006 0.000 0.197 422 E C 1.766 178.135 176.600 -0.384 0.000 0.998 422 E CA 1.113 56.874 56.400 -1.064 0.000 0.830 422 E CB 0.116 29.351 29.700 -0.776 0.000 0.751 422 E HN 0.580 nan 8.360 nan 0.000 0.491 423 K N 0.728 120.961 120.400 -0.278 0.000 2.160 423 K HA -0.143 4.180 4.320 0.006 0.000 0.206 423 K C 0.345 176.915 176.600 -0.050 0.000 1.047 423 K CA 1.130 57.339 56.287 -0.131 0.000 0.930 423 K CB -0.310 32.120 32.500 -0.116 0.000 0.720 423 K HN -0.055 nan 8.250 nan 0.000 0.450 424 N N 1.264 119.950 118.700 -0.025 0.000 2.482 424 N HA 0.166 4.909 4.740 0.006 0.000 0.242 424 N C 0.205 175.873 175.510 0.263 0.000 1.100 424 N CA 0.180 53.291 53.050 0.102 0.000 0.946 424 N CB 1.384 39.897 38.487 0.043 0.000 1.227 424 N HN 0.323 nan 8.380 nan 0.000 0.508 425 A N 1.776 124.697 122.820 0.169 0.000 2.067 425 A HA -0.183 4.140 4.320 0.006 0.000 0.219 425 A C 1.650 179.328 177.584 0.156 0.000 1.158 425 A CA 1.189 53.333 52.037 0.177 0.000 0.661 425 A CB -0.223 18.832 19.000 0.090 0.000 0.801 425 A HN 0.644 nan 8.150 nan 0.000 0.452 426 D N -0.064 120.414 120.400 0.131 0.000 2.384 426 D HA -0.049 4.594 4.640 0.006 0.000 0.222 426 D C 1.464 177.746 176.300 -0.030 0.000 0.976 426 D CA 1.124 55.147 54.000 0.039 0.000 0.915 426 D CB -0.954 39.860 40.800 0.023 0.000 0.896 426 D HN 0.300 nan 8.370 nan 0.000 0.523 427 G N 0.147 109.025 108.800 0.129 0.000 2.598 427 G HA2 -0.212 3.752 3.960 0.006 0.000 0.215 427 G HA3 -0.212 3.752 3.960 0.006 0.000 0.215 427 G C 0.388 174.993 174.900 -0.492 0.000 1.131 427 G CA 0.356 45.326 45.100 -0.216 0.000 0.785 427 G HN 0.316 nan 8.290 nan 0.000 0.539 428 D N -0.667 119.618 120.400 -0.191 0.000 2.740 428 D HA -0.151 4.492 4.640 0.006 0.000 0.231 428 D C -0.321 175.881 176.300 -0.164 0.000 1.194 428 D CA 0.328 54.243 54.000 -0.142 0.000 0.673 428 D CB -1.347 39.337 40.800 -0.193 0.000 0.995 428 D HN 0.412 nan 8.370 nan 0.000 0.411 429 W N 1.129 122.412 121.300 -0.029 0.000 2.251 429 W HA 0.372 5.035 4.660 0.005 0.000 0.327 429 W C 1.400 177.917 176.519 -0.002 0.000 1.361 429 W CA -0.243 57.088 57.345 -0.024 0.000 1.234 429 W CB 0.568 30.017 29.460 -0.018 0.000 1.212 429 W HN 0.033 nan 8.180 nan 0.000 0.557 430 R N 1.523 122.160 120.500 0.229 0.000 2.867 430 R HA 0.269 4.612 4.340 0.006 0.000 0.268 430 R C -0.835 175.583 176.300 0.196 0.000 1.014 430 R CA -1.178 55.021 56.100 0.166 0.000 0.946 430 R CB 1.214 31.579 30.300 0.109 0.000 1.208 430 R HN 0.246 nan 8.270 nan 0.000 0.477 431 D N 0.881 121.370 120.400 0.148 0.000 2.455 431 D HA 0.091 4.734 4.640 0.006 0.000 0.241 431 D C -0.027 176.373 176.300 0.167 0.000 1.138 431 D CA 0.632 54.720 54.000 0.148 0.000 0.877 431 D CB 0.995 41.858 40.800 0.104 0.000 1.187 431 D HN 0.492 nan 8.370 nan 0.000 0.451 432 S N -0.077 115.746 115.700 0.204 0.000 2.709 432 S HA 0.661 5.134 4.470 0.006 0.000 0.302 432 S C 0.267 174.989 174.600 0.204 0.000 1.127 432 S CA -0.587 57.750 58.200 0.228 0.000 0.905 432 S CB 1.838 65.266 63.200 0.380 0.000 1.151 432 S HN 0.304 nan 8.310 nan 0.000 0.510 433 A N 0.402 123.349 122.820 0.212 0.000 2.302 433 A HA 0.339 4.662 4.320 0.006 0.000 0.219 433 A C 0.964 178.653 177.584 0.175 0.000 1.243 433 A CA -0.081 52.065 52.037 0.181 0.000 0.856 433 A CB -0.626 18.486 19.000 0.187 0.000 0.893 433 A HN 0.669 nan 8.150 nan 0.000 0.491 434 M N -0.759 118.952 119.600 0.185 0.000 2.549 434 M HA 0.206 4.689 4.480 0.006 0.000 0.273 434 M C 1.261 177.620 176.300 0.098 0.000 1.213 434 M CA 0.343 55.707 55.300 0.106 0.000 0.976 434 M CB -0.779 31.790 32.600 -0.052 0.000 1.457 434 M HN 0.687 nan 8.290 nan 0.000 0.485 435 G N 2.459 111.330 108.800 0.118 0.000 2.168 435 G HA2 -0.276 3.687 3.960 0.006 0.000 0.257 435 G HA3 -0.276 3.687 3.960 0.006 0.000 0.257 435 G C 0.123 175.082 174.900 0.100 0.000 0.997 435 G CA 0.964 46.121 45.100 0.095 0.000 0.708 435 G HN 0.564 nan 8.290 nan 0.000 0.520 436 K N -1.612 118.879 120.400 0.152 0.000 2.607 436 K HA 0.598 4.922 4.320 0.006 0.000 0.287 436 K C -0.669 176.091 176.600 0.268 0.000 0.996 436 K CA -1.276 55.115 56.287 0.172 0.000 0.876 436 K CB 1.169 33.778 32.500 0.181 0.000 1.496 436 K HN 0.051 nan 8.250 nan 0.000 0.415 437 K N 0.723 121.274 120.400 0.251 0.000 2.126 437 K HA 0.196 4.519 4.320 0.006 0.000 0.257 437 K C -1.094 175.828 176.600 0.538 0.000 1.007 437 K CA -0.555 55.949 56.287 0.362 0.000 0.928 437 K CB 0.520 33.220 32.500 0.333 0.000 1.013 437 K HN 0.511 nan 8.250 nan 0.000 0.473 438 Y N -0.000 120.436 120.300 0.227 0.000 2.429 438 Y HA 0.286 4.839 4.550 0.006 0.000 0.342 438 Y C -0.649 175.102 175.900 -0.248 0.000 1.004 438 Y CA -0.470 57.522 58.100 -0.179 0.000 1.075 438 Y CB 1.970 40.092 38.460 -0.564 0.000 1.214 438 Y HN 0.527 nan 8.280 nan 0.000 0.455 439 S N 4.060 118.847 115.700 -1.522 0.000 2.532 439 S HA 0.325 4.799 4.470 0.006 0.000 0.299 439 S C 0.079 173.866 174.600 -1.355 0.000 1.105 439 S CA -0.584 56.772 58.200 -1.406 0.000 1.018 439 S CB 0.580 62.572 63.200 -2.015 0.000 1.021 439 S HN 0.961 nan 8.310 nan 0.000 0.483 440 H N 3.031 121.582 119.070 -0.867 0.000 2.524 440 H HA 0.015 4.574 4.556 0.006 0.000 0.282 440 H C 2.046 177.082 175.328 -0.487 0.000 1.016 440 H CA 0.897 56.645 56.048 -0.499 0.000 1.270 440 H CB 0.394 30.013 29.762 -0.238 0.000 1.394 440 H HN 0.555 nan 8.280 nan 0.000 0.568 441 R N 0.138 120.308 120.500 -0.551 0.000 2.112 441 R HA -0.052 4.291 4.340 0.006 0.000 0.216 441 R C 0.643 176.521 176.300 -0.703 0.000 1.080 441 R CA 0.845 56.528 56.100 -0.696 0.000 0.996 441 R CB 0.299 29.977 30.300 -1.036 0.000 0.902 441 R HN 0.237 nan 8.270 nan 0.000 0.449 442 Y N -0.328 119.670 120.300 -0.505 0.000 2.500 442 Y HA 0.343 4.896 4.550 0.005 0.000 0.246 442 Y C 1.152 176.874 175.900 -0.297 0.000 1.146 442 Y CA -0.142 57.766 58.100 -0.319 0.000 1.230 442 Y CB 1.316 39.648 38.460 -0.214 0.000 1.214 442 Y HN 0.363 nan 8.280 nan 0.000 0.526 443 G N 1.179 109.728 108.800 -0.417 0.000 2.582 443 G HA2 -0.384 3.579 3.960 0.006 0.000 0.288 443 G HA3 -0.384 3.579 3.960 0.006 0.000 0.288 443 G C 0.417 175.091 174.900 -0.377 0.000 1.247 443 G CA 0.672 45.532 45.100 -0.400 0.000 0.972 443 G HN 0.285 nan 8.290 nan 0.000 0.557 444 F N 2.896 122.958 119.950 0.188 0.000 2.811 444 F HA 0.433 4.963 4.527 0.006 0.000 0.301 444 F C 1.886 177.870 175.800 0.307 0.000 1.151 444 F CA 1.808 59.985 58.000 0.296 0.000 1.412 444 F CB 0.150 39.264 39.000 0.191 0.000 1.113 444 F HN 1.257 nan 8.300 nan 0.000 0.579 445 G N 0.225 109.271 108.800 0.411 0.000 2.325 445 G HA2 0.046 4.009 3.960 0.006 0.000 0.285 445 G HA3 0.046 4.009 3.960 0.006 0.000 0.285 445 G C -1.328 173.676 174.900 0.173 0.000 1.303 445 G CA -1.024 44.266 45.100 0.316 0.000 0.970 445 G HN 0.168 nan 8.290 nan 0.000 0.490 446 K N -0.481 119.968 120.400 0.081 0.000 2.118 446 K HA 0.738 5.061 4.320 0.006 0.000 0.264 446 K C 0.046 176.659 176.600 0.023 0.000 1.000 446 K CA -0.828 55.465 56.287 0.010 0.000 0.929 446 K CB 1.767 34.226 32.500 -0.069 0.000 1.021 446 K HN 0.436 nan 8.250 nan 0.000 0.463 447 I N 2.053 122.621 120.570 -0.002 0.000 2.533 447 I HA -0.027 4.147 4.170 0.006 0.000 0.284 447 I C -0.073 176.069 176.117 0.042 0.000 1.109 447 I CA 0.191 61.499 61.300 0.013 0.000 1.412 447 I CB 0.512 38.498 38.000 -0.024 0.000 1.396 447 I HN 0.703 nan 8.210 nan 0.000 0.543 448 D N 6.075 126.499 120.400 0.039 0.000 2.471 448 D HA 0.355 4.998 4.640 0.006 0.000 0.245 448 D C 0.512 176.830 176.300 0.031 0.000 1.116 448 D CA -0.423 53.608 54.000 0.051 0.000 0.853 448 D CB 1.998 42.831 40.800 0.056 0.000 1.123 448 D HN 0.588 nan 8.370 nan 0.000 0.540 449 A N 4.274 127.104 122.820 0.016 0.000 1.877 449 A HA -0.231 4.093 4.320 0.006 0.000 0.216 449 A C 1.995 179.582 177.584 0.005 0.000 1.186 449 A CA 1.288 53.319 52.037 -0.010 0.000 0.620 449 A CB -0.774 18.192 19.000 -0.058 0.000 0.822 449 A HN 0.837 nan 8.150 nan 0.000 0.443 450 H N 0.006 119.042 119.070 -0.057 0.000 2.352 450 H HA -0.083 4.476 4.556 0.006 0.000 0.299 450 H C 1.948 177.267 175.328 -0.015 0.000 1.097 450 H CA 2.024 58.048 56.048 -0.041 0.000 1.311 450 H CB 0.002 29.736 29.762 -0.045 0.000 1.377 450 H HN 0.489 nan 8.280 nan 0.000 0.504 451 K N 0.007 120.435 120.400 0.047 0.000 2.097 451 K HA -0.128 4.195 4.320 0.006 0.000 0.205 451 K C 2.307 178.883 176.600 -0.039 0.000 1.050 451 K CA 0.990 57.282 56.287 0.009 0.000 0.938 451 K CB -0.065 32.458 32.500 0.040 0.000 0.718 451 K HN 0.102 nan 8.250 nan 0.000 0.442 452 L N 1.178 122.381 121.223 -0.034 0.000 1.994 452 L HA -0.151 4.192 4.340 0.006 0.000 0.208 452 L C 1.898 178.732 176.870 -0.061 0.000 1.071 452 L CA 1.587 56.402 54.840 -0.041 0.000 0.745 452 L CB -0.292 41.767 42.059 -0.001 0.000 0.892 452 L HN 0.021 nan 8.230 nan 0.000 0.431 453 I N -0.153 120.373 120.570 -0.073 0.000 2.286 453 I HA -0.221 3.952 4.170 0.006 0.000 0.248 453 I C 2.472 178.526 176.117 -0.104 0.000 1.115 453 I CA 1.263 62.515 61.300 -0.081 0.000 1.392 453 I CB -0.514 37.434 38.000 -0.087 0.000 1.065 453 I HN 0.376 nan 8.210 nan 0.000 0.418 454 E N 0.456 120.557 120.200 -0.166 0.000 2.051 454 E HA -0.251 4.103 4.350 0.006 0.000 0.192 454 E C 2.297 178.874 176.600 -0.037 0.000 0.991 454 E CA 1.519 57.839 56.400 -0.133 0.000 0.799 454 E CB -0.283 29.316 29.700 -0.168 0.000 0.748 454 E HN 0.399 nan 8.360 nan 0.000 0.449 455 M N 0.038 119.622 119.600 -0.026 0.000 2.159 455 M HA -0.165 4.319 4.480 0.006 0.000 0.263 455 M C 2.081 178.422 176.300 0.069 0.000 1.063 455 M CA 1.852 57.166 55.300 0.024 0.000 1.110 455 M CB -0.174 32.416 32.600 -0.018 0.000 1.374 455 M HN 0.260 nan 8.290 nan 0.000 0.411 456 S N -0.027 115.678 115.700 0.010 0.000 2.419 456 S HA -0.152 4.321 4.470 0.006 0.000 0.233 456 S C 1.657 176.323 174.600 0.110 0.000 1.016 456 S CA 1.156 59.387 58.200 0.053 0.000 0.974 456 S CB -0.500 62.696 63.200 -0.007 0.000 0.786 456 S HN 0.550 nan 8.310 nan 0.000 0.492 457 K N 0.966 121.406 120.400 0.067 0.000 2.147 457 K HA -0.060 4.264 4.320 0.006 0.000 0.205 457 K C 1.801 178.447 176.600 0.077 0.000 1.049 457 K CA 1.683 58.005 56.287 0.058 0.000 0.936 457 K CB -0.344 32.173 32.500 0.029 0.000 0.722 457 K HN 0.764 nan 8.250 nan 0.000 0.446 458 T N -3.245 111.372 114.554 0.105 0.000 3.132 458 T HA 0.042 4.395 4.350 0.006 0.000 0.274 458 T C -0.058 174.712 174.700 0.118 0.000 1.011 458 T CA -0.733 61.419 62.100 0.087 0.000 0.899 458 T CB -0.126 68.778 68.868 0.061 0.000 1.089 458 T HN 0.229 nan 8.240 nan 0.000 0.543 459 W N 2.741 124.026 121.300 -0.024 0.000 2.251 459 W HA 0.327 4.989 4.660 0.003 0.000 0.327 459 W C -0.527 175.965 176.519 -0.046 0.000 1.361 459 W CA -0.094 57.230 57.345 -0.035 0.000 1.234 459 W CB 0.401 29.841 29.460 -0.034 0.000 1.212 459 W HN 0.297 nan 8.180 nan 0.000 0.557 460 E N 4.800 124.515 120.200 -0.809 0.000 2.115 460 E HA 0.061 4.414 4.350 0.006 0.000 0.282 460 E C -0.160 175.893 176.600 -0.912 0.000 0.987 460 E CA -0.601 55.399 56.400 -0.667 0.000 0.797 460 E CB 0.386 29.765 29.700 -0.534 0.000 1.086 460 E HN 0.322 nan 8.360 nan 0.000 0.397 461 N N 2.277 120.746 118.700 -0.384 0.000 2.356 461 N HA -0.039 4.705 4.740 0.006 0.000 0.252 461 N C -0.293 175.066 175.510 -0.252 0.000 1.241 461 N CA 0.031 52.984 53.050 -0.163 0.000 0.861 461 N CB 0.697 39.170 38.487 -0.023 0.000 1.075 461 N HN 0.317 nan 8.380 nan 0.000 0.461 462 V N 0.456 120.250 119.914 -0.201 0.000 3.133 462 V HA 0.321 4.444 4.120 0.006 0.000 0.305 462 V C 0.771 176.773 176.094 -0.153 0.000 1.084 462 V CA -1.003 61.140 62.300 -0.261 0.000 1.089 462 V CB 0.599 32.194 31.823 -0.380 0.000 1.073 462 V HN 0.452 nan 8.190 nan 0.000 0.477 463 N N 0.897 119.511 118.700 -0.144 0.000 2.297 463 N HA 0.402 5.145 4.740 0.006 0.000 0.232 463 N C 0.282 175.755 175.510 -0.062 0.000 1.311 463 N CA 0.478 53.469 53.050 -0.098 0.000 0.897 463 N CB 0.186 38.609 38.487 -0.106 0.000 1.137 463 N HN 1.212 nan 8.380 nan 0.000 0.449 464 A N 0.206 123.005 122.820 -0.034 0.000 2.483 464 A HA -0.009 4.315 4.320 0.006 0.000 0.238 464 A C 0.607 178.201 177.584 0.016 0.000 1.070 464 A CA -0.105 51.941 52.037 0.014 0.000 0.770 464 A CB -0.110 18.903 19.000 0.022 0.000 1.008 464 A HN 0.623 nan 8.150 nan 0.000 0.497 465 Q N 0.147 120.012 119.800 0.109 0.000 2.361 465 Q HA 0.320 4.664 4.340 0.006 0.000 0.276 465 Q C 0.064 176.136 176.000 0.120 0.000 1.022 465 Q CA 0.707 56.620 55.803 0.183 0.000 0.898 465 Q CB 0.475 29.457 28.738 0.407 0.000 1.246 465 Q HN 0.843 nan 8.270 nan 0.000 0.410 466 T N 2.224 116.830 114.554 0.085 0.000 2.778 466 T HA 0.759 5.112 4.350 0.006 0.000 0.293 466 T C -2.087 172.754 174.700 0.236 0.000 1.144 466 T CA -0.556 61.445 62.100 -0.165 0.000 1.010 466 T CB 0.658 69.364 68.868 -0.271 0.000 1.325 466 T HN 0.711 nan 8.240 nan 0.000 0.515 467 W N 0.394 121.778 121.300 0.140 0.000 3.137 467 W HA 0.786 5.447 4.660 0.002 0.000 0.324 467 W C -2.264 174.170 176.519 -0.140 0.000 1.253 467 W CA -1.400 55.923 57.345 -0.036 0.000 1.183 467 W CB 0.658 29.851 29.460 -0.444 0.000 1.424 467 W HN 0.572 nan 8.180 nan 0.000 0.566 468 F N 3.180 122.971 119.950 -0.264 0.000 2.612 468 F HA 0.553 5.083 4.527 0.005 0.000 0.332 468 F C -1.462 174.219 175.800 -0.197 0.000 1.167 468 F CA -1.577 56.194 58.000 -0.381 0.000 0.970 468 F CB 0.916 39.515 39.000 -0.669 0.000 1.234 468 F HN 0.451 nan 8.300 nan 0.000 0.453 469 Y N 6.242 126.166 120.300 -0.627 0.000 2.323 469 Y HA 0.457 5.010 4.550 0.005 0.000 0.331 469 Y C -0.208 175.236 175.900 -0.761 0.000 1.092 469 Y CA -1.464 56.300 58.100 -0.560 0.000 1.150 469 Y CB 1.308 39.567 38.460 -0.336 0.000 1.200 469 Y HN 0.226 nan 8.280 nan 0.000 0.472 470 L N 5.375 126.337 121.223 -0.436 0.000 2.360 470 L HA 0.391 4.735 4.340 0.006 0.000 0.271 470 L C -2.101 174.559 176.870 -0.349 0.000 1.057 470 L CA -2.180 52.395 54.840 -0.443 0.000 0.803 470 L CB 0.904 42.707 42.059 -0.425 0.000 1.207 470 L HN 0.425 nan 8.230 nan 0.000 0.445 471 P HA 0.039 nan 4.420 nan 0.000 0.269 471 P C -0.363 176.751 177.300 -0.310 0.000 1.209 471 P CA -0.245 62.714 63.100 -0.235 0.000 0.776 471 P CB 0.178 31.781 31.700 -0.162 0.000 0.876 472 T N 2.881 117.267 114.554 -0.280 0.000 2.908 472 T HA 0.073 4.426 4.350 0.006 0.000 0.301 472 T C 0.388 174.823 174.700 -0.441 0.000 1.019 472 T CA 0.372 62.233 62.100 -0.399 0.000 1.152 472 T CB -0.246 68.389 68.868 -0.387 0.000 0.966 472 T HN 0.282 nan 8.240 nan 0.000 0.540 473 L N 4.689 125.587 121.223 -0.541 0.000 2.280 473 L HA 0.389 4.732 4.340 0.006 0.000 0.287 473 L C -0.926 175.746 176.870 -0.329 0.000 1.023 473 L CA -0.921 53.702 54.840 -0.362 0.000 0.819 473 L CB 0.517 42.349 42.059 -0.378 0.000 1.212 473 L HN 0.680 nan 8.230 nan 0.000 0.420 474 Y N 4.871 125.144 120.300 -0.044 0.000 2.632 474 Y HA 0.084 4.638 4.550 0.006 0.000 0.336 474 Y C 1.185 177.048 175.900 -0.061 0.000 1.237 474 Y CA -0.320 57.759 58.100 -0.035 0.000 1.595 474 Y CB 0.515 38.961 38.460 -0.023 0.000 1.508 474 Y HN 0.454 nan 8.280 nan 0.000 0.480 475 V N 0.542 120.400 119.914 -0.093 0.000 2.295 475 V HA -0.278 3.845 4.120 0.006 0.000 0.246 475 V C 1.569 177.599 176.094 -0.107 0.000 1.049 475 V CA 1.676 63.851 62.300 -0.209 0.000 1.024 475 V CB -0.581 30.794 31.823 -0.747 0.000 0.648 475 V HN 0.872 nan 8.190 nan 0.000 0.447 476 S N 0.091 115.752 115.700 -0.064 0.000 3.550 476 S HA -0.226 4.248 4.470 0.006 0.000 0.372 476 S C 0.081 174.700 174.600 0.031 0.000 0.966 476 S CA 0.681 58.922 58.200 0.068 0.000 1.229 476 S CB -0.888 62.384 63.200 0.120 0.000 0.917 476 S HN 0.779 nan 8.310 nan 0.000 0.496 477 Q N 0.325 120.119 119.800 -0.009 0.000 2.378 477 Q HA 0.794 5.138 4.340 0.006 0.000 0.276 477 Q C -0.627 175.410 176.000 0.062 0.000 1.083 477 Q CA -0.683 55.141 55.803 0.035 0.000 0.856 477 Q CB 2.219 30.981 28.738 0.039 0.000 1.383 477 Q HN 0.322 nan 8.270 nan 0.000 0.458 478 S N -0.151 115.587 115.700 0.063 0.000 2.536 478 S HA 0.677 5.150 4.470 0.006 0.000 0.271 478 S C -1.591 173.042 174.600 0.056 0.000 1.134 478 S CA -0.350 57.885 58.200 0.059 0.000 0.897 478 S CB 1.963 65.196 63.200 0.055 0.000 1.094 478 S HN 0.549 nan 8.310 nan 0.000 0.473 479 T N 1.893 116.480 114.554 0.054 0.000 2.889 479 T HA 0.523 4.876 4.350 0.006 0.000 0.315 479 T C -1.130 173.598 174.700 0.048 0.000 1.291 479 T CA -0.577 61.550 62.100 0.045 0.000 1.028 479 T CB 1.028 69.919 68.868 0.039 0.000 1.235 479 T HN 0.745 nan 8.240 nan 0.000 0.491 480 N N 1.248 119.974 118.700 0.042 0.000 2.305 480 N HA 0.221 4.964 4.740 0.006 0.000 0.248 480 N C -0.712 174.815 175.510 0.029 0.000 1.290 480 N CA -0.475 52.604 53.050 0.049 0.000 0.873 480 N CB 0.880 39.401 38.487 0.056 0.000 1.261 480 N HN 0.303 nan 8.380 nan 0.000 0.504 481 S N -0.168 115.542 115.700 0.018 0.000 2.502 481 S HA 0.347 4.820 4.470 0.006 0.000 0.304 481 S C 1.111 175.706 174.600 -0.007 0.000 1.097 481 S CA -0.243 57.959 58.200 0.003 0.000 1.045 481 S CB 1.027 64.231 63.200 0.006 0.000 1.019 481 S HN 0.299 nan 8.310 nan 0.000 0.481 482 T N 1.547 116.089 114.554 -0.021 0.000 3.007 482 T HA 0.017 4.370 4.350 0.006 0.000 0.270 482 T C 0.930 175.617 174.700 -0.022 0.000 1.107 482 T CA 0.780 62.863 62.100 -0.029 0.000 1.118 482 T CB -0.205 68.638 68.868 -0.042 0.000 0.889 482 T HN 0.663 nan 8.240 nan 0.000 0.506 483 E N 1.330 121.521 120.200 -0.015 0.000 2.435 483 E HA 0.092 4.445 4.350 0.006 0.000 0.195 483 E C 0.277 176.873 176.600 -0.007 0.000 1.029 483 E CA 0.384 56.777 56.400 -0.012 0.000 0.865 483 E CB 0.128 29.823 29.700 -0.008 0.000 0.833 483 E HN 0.741 nan 8.360 nan 0.000 0.510 484 E N 1.495 121.693 120.200 -0.003 0.000 2.063 484 E HA 0.193 4.546 4.350 0.006 0.000 0.265 484 E C -0.892 175.709 176.600 0.002 0.000 0.919 484 E CA -0.169 56.233 56.400 0.004 0.000 0.756 484 E CB 1.130 30.837 29.700 0.013 0.000 1.120 484 E HN -0.166 nan 8.360 nan 0.000 0.414 485 T N 3.775 118.328 114.554 -0.002 0.000 2.794 485 T HA 0.226 4.580 4.350 0.006 0.000 0.296 485 T C 0.253 174.960 174.700 0.013 0.000 0.949 485 T CA -0.365 61.729 62.100 -0.010 0.000 1.101 485 T CB 0.310 69.165 68.868 -0.022 0.000 0.905 485 T HN 0.270 nan 8.240 nan 0.000 0.516 486 L N 4.966 126.204 121.223 0.025 0.000 2.259 486 L HA 0.417 4.761 4.340 0.006 0.000 0.288 486 L C 0.690 177.617 176.870 0.094 0.000 1.051 486 L CA -0.502 54.396 54.840 0.097 0.000 0.824 486 L CB 0.125 42.304 42.059 0.201 0.000 1.206 486 L HN 0.738 nan 8.230 nan 0.000 0.429 487 E N 2.371 122.616 120.200 0.075 0.000 2.277 487 E HA 0.737 5.090 4.350 0.006 0.000 0.266 487 E C -1.098 175.543 176.600 0.068 0.000 0.901 487 E CA -0.903 55.518 56.400 0.036 0.000 0.782 487 E CB 2.461 32.160 29.700 -0.003 0.000 1.228 487 E HN 0.289 nan 8.360 nan 0.000 0.424 488 S N 1.163 116.885 115.700 0.037 0.000 2.536 488 S HA 0.477 4.951 4.470 0.006 0.000 0.271 488 S C -1.527 173.222 174.600 0.249 0.000 1.134 488 S CA -0.644 57.650 58.200 0.157 0.000 0.897 488 S CB 1.617 64.976 63.200 0.265 0.000 1.094 488 S HN 0.418 nan 8.310 nan 0.000 0.473 489 V N 4.916 125.018 119.914 0.313 0.000 2.604 489 V HA 0.659 4.782 4.120 0.006 0.000 0.305 489 V C -0.418 175.887 176.094 0.352 0.000 1.043 489 V CA -0.758 61.737 62.300 0.325 0.000 0.888 489 V CB 1.289 33.222 31.823 0.183 0.000 0.995 489 V HN 0.869 nan 8.190 nan 0.000 0.429 490 I N 1.188 121.989 120.570 0.386 0.000 2.693 490 I HA 0.854 5.027 4.170 0.006 0.000 0.303 490 I C -0.071 176.185 176.117 0.232 0.000 1.025 490 I CA -0.259 61.173 61.300 0.220 0.000 1.086 490 I CB 2.261 40.294 38.000 0.055 0.000 1.268 490 I HN 0.462 nan 8.210 nan 0.000 0.440 491 T N 5.991 120.640 114.554 0.159 0.000 2.797 491 T HA 0.685 5.038 4.350 0.006 0.000 0.279 491 T C -0.227 174.560 174.700 0.146 0.000 0.991 491 T CA -0.175 62.018 62.100 0.155 0.000 0.979 491 T CB 0.892 69.820 68.868 0.101 0.000 0.943 491 T HN 0.454 nan 8.240 nan 0.000 0.444 492 I N 3.010 123.684 120.570 0.172 0.000 2.406 492 I HA 0.374 4.547 4.170 0.006 0.000 0.290 492 I C 0.638 176.780 176.117 0.042 0.000 0.999 492 I CA -0.767 60.596 61.300 0.105 0.000 1.124 492 I CB 1.829 39.891 38.000 0.103 0.000 1.289 492 I HN 0.650 nan 8.210 nan 0.000 0.441 493 S N 3.542 119.237 115.700 -0.009 0.000 2.646 493 S HA 0.287 4.760 4.470 0.006 0.000 0.276 493 S C 0.791 175.349 174.600 -0.070 0.000 1.222 493 S CA -0.607 57.581 58.200 -0.021 0.000 1.014 493 S CB 2.085 65.280 63.200 -0.009 0.000 0.991 493 S HN 0.753 nan 8.310 nan 0.000 0.533 494 E N 0.630 120.805 120.200 -0.042 0.000 2.077 494 E HA -0.199 4.155 4.350 0.006 0.000 0.193 494 E C 1.743 178.303 176.600 -0.067 0.000 0.989 494 E CA 1.177 57.549 56.400 -0.048 0.000 0.800 494 E CB -0.122 29.567 29.700 -0.019 0.000 0.746 494 E HN 0.687 nan 8.360 nan 0.000 0.452 495 K N 0.629 120.999 120.400 -0.050 0.000 2.044 495 K HA -0.135 4.189 4.320 0.006 0.000 0.210 495 K C 2.070 178.630 176.600 -0.068 0.000 1.049 495 K CA 2.097 58.358 56.287 -0.044 0.000 0.927 495 K CB -0.528 31.959 32.500 -0.023 0.000 0.713 495 K HN -0.052 nan 8.250 nan 0.000 0.443 496 S N 0.456 116.098 115.700 -0.097 0.000 2.356 496 S HA -0.080 4.394 4.470 0.006 0.000 0.223 496 S C 1.821 176.240 174.600 -0.302 0.000 1.032 496 S CA 1.522 59.645 58.200 -0.129 0.000 1.005 496 S CB -0.348 62.789 63.200 -0.104 0.000 0.867 496 S HN 0.285 nan 8.310 nan 0.000 0.449 497 L N 1.014 121.971 121.223 -0.442 0.000 2.093 497 L HA -0.153 4.190 4.340 0.006 0.000 0.208 497 L C 2.721 179.518 176.870 -0.123 0.000 1.085 497 L CA 1.193 55.785 54.840 -0.413 0.000 0.755 497 L CB -0.525 41.353 42.059 -0.301 0.000 0.904 497 L HN 0.337 nan 8.230 nan 0.000 0.435 498 Q N -0.200 119.549 119.800 -0.086 0.000 2.084 498 Q HA -0.203 4.140 4.340 0.006 0.000 0.202 498 Q C 1.747 177.724 176.000 -0.037 0.000 0.978 498 Q CA 1.505 57.282 55.803 -0.043 0.000 0.844 498 Q CB 0.016 28.732 28.738 -0.037 0.000 0.898 498 Q HN 0.428 nan 8.270 nan 0.000 0.426 499 D N -0.155 120.221 120.400 -0.039 0.000 2.264 499 D HA -0.077 4.566 4.640 0.006 0.000 0.208 499 D C 0.922 177.216 176.300 -0.010 0.000 0.966 499 D CA 0.975 54.964 54.000 -0.020 0.000 0.864 499 D CB 0.058 40.855 40.800 -0.006 0.000 0.933 499 D HN 0.234 nan 8.370 nan 0.000 0.499 500 A N 0.409 123.227 122.820 -0.004 0.000 2.379 500 A HA 0.077 4.400 4.320 0.006 0.000 0.236 500 A C 0.862 178.446 177.584 -0.001 0.000 1.272 500 A CA 0.086 52.138 52.037 0.026 0.000 0.886 500 A CB -0.349 18.745 19.000 0.156 0.000 0.962 500 A HN 0.128 nan 8.150 nan 0.000 0.504 501 N N -2.003 116.687 118.700 -0.017 0.000 2.714 501 N HA -0.231 4.513 4.740 0.006 0.000 0.250 501 N C -0.587 174.910 175.510 -0.022 0.000 1.117 501 N CA 0.801 53.828 53.050 -0.040 0.000 0.719 501 N CB -2.255 36.183 38.487 -0.081 0.000 1.081 501 N HN 0.502 nan 8.380 nan 0.000 0.557 502 F N 0.674 120.543 119.950 -0.136 0.000 2.385 502 F HA 0.381 4.912 4.527 0.006 0.000 0.360 502 F C 1.291 177.029 175.800 -0.104 0.000 1.122 502 F CA -0.571 57.352 58.000 -0.129 0.000 1.090 502 F CB 1.003 39.903 39.000 -0.167 0.000 1.150 502 F HN 0.043 nan 8.300 nan 0.000 0.472 503 K N 5.342 125.503 120.400 -0.398 0.000 2.108 503 K HA 0.193 4.517 4.320 0.006 0.000 0.204 503 K C -0.179 176.326 176.600 -0.159 0.000 1.036 503 K CA 0.462 56.624 56.287 -0.208 0.000 0.965 503 K CB 0.404 32.788 32.500 -0.194 0.000 0.804 503 K HN 0.789 nan 8.250 nan 0.000 0.454 504 R N -0.337 119.939 120.500 -0.374 0.000 2.692 504 R HA 0.356 4.699 4.340 0.006 0.000 0.269 504 R C -1.027 175.158 176.300 -0.192 0.000 1.030 504 R CA -0.833 55.206 56.100 -0.103 0.000 0.882 504 R CB 0.588 30.887 30.300 -0.002 0.000 1.250 504 R HN -0.078 nan 8.270 nan 0.000 0.465 505 I N 1.574 122.214 120.570 0.117 0.000 2.575 505 I HA 0.094 4.267 4.170 0.006 0.000 0.285 505 I C 0.736 176.665 176.117 -0.313 0.000 1.085 505 I CA 0.140 61.514 61.300 0.123 0.000 1.403 505 I CB 1.265 39.424 38.000 0.264 0.000 1.409 505 I HN 0.760 nan 8.210 nan 0.000 0.557 506 E N 2.796 122.668 120.200 -0.548 0.000 2.406 506 E HA 0.168 4.521 4.350 0.006 0.000 0.200 506 E C -0.463 175.516 176.600 -1.035 0.000 1.034 506 E CA -0.304 55.106 56.400 -1.649 0.000 1.057 506 E CB 0.221 28.914 29.700 -1.678 0.000 1.751 506 E HN 0.553 nan 8.360 nan 0.000 0.525 507 H N -0.061 118.777 119.070 -0.386 0.000 2.482 507 H HA 0.453 5.013 4.556 0.005 0.000 0.344 507 H C -0.823 174.609 175.328 0.173 0.000 1.151 507 H CA -0.556 55.482 56.048 -0.016 0.000 1.300 507 H CB 1.416 31.155 29.762 -0.039 0.000 1.494 507 H HN -0.080 nan 8.280 nan 0.000 0.542 508 V N 1.797 121.893 119.914 0.304 0.000 2.656 508 V HA 0.426 4.550 4.120 0.006 0.000 0.307 508 V C -0.106 176.115 176.094 0.212 0.000 1.051 508 V CA -0.792 61.639 62.300 0.218 0.000 0.893 508 V CB 1.902 33.791 31.823 0.110 0.000 0.999 508 V HN 1.045 nan 8.190 nan 0.000 0.426 509 T N 1.456 116.124 114.554 0.189 0.000 2.887 509 T HA 0.831 5.184 4.350 0.006 0.000 0.288 509 T C -1.015 173.722 174.700 0.061 0.000 1.021 509 T CA -0.733 61.432 62.100 0.109 0.000 1.000 509 T CB 1.864 70.776 68.868 0.074 0.000 1.034 509 T HN 0.353 nan 8.240 nan 0.000 0.467 510 V N 2.739 122.708 119.914 0.091 0.000 2.482 510 V HA 0.469 4.592 4.120 0.006 0.000 0.295 510 V C -0.032 176.119 176.094 0.094 0.000 1.026 510 V CA -0.750 61.639 62.300 0.148 0.000 0.856 510 V CB 1.872 33.861 31.823 0.276 0.000 1.001 510 V HN 1.148 nan 8.190 nan 0.000 0.424 511 T N 4.991 119.563 114.554 0.030 0.000 2.744 511 T HA 0.576 4.929 4.350 0.006 0.000 0.291 511 T C -0.115 174.648 174.700 0.104 0.000 0.957 511 T CA -0.339 61.744 62.100 -0.029 0.000 1.002 511 T CB 1.341 70.141 68.868 -0.115 0.000 0.919 511 T HN 0.695 nan 8.240 nan 0.000 0.468 512 V N 0.386 120.377 119.914 0.129 0.000 2.815 512 V HA 0.792 4.915 4.120 0.006 0.000 0.314 512 V C -0.919 175.325 176.094 0.250 0.000 1.064 512 V CA -1.051 61.395 62.300 0.243 0.000 0.952 512 V CB 2.205 34.155 31.823 0.211 0.000 1.020 512 V HN 0.665 nan 8.190 nan 0.000 0.439 513 D N 2.798 123.393 120.400 0.324 0.000 2.454 513 D HA 0.566 5.210 4.640 0.006 0.000 0.247 513 D C -0.927 175.629 176.300 0.427 0.000 1.129 513 D CA -0.169 54.042 54.000 0.352 0.000 0.877 513 D CB 0.802 41.792 40.800 0.316 0.000 1.082 513 D HN 0.686 nan 8.370 nan 0.000 0.537 514 I N 2.668 123.464 120.570 0.377 0.000 2.468 514 I HA 0.239 4.412 4.170 0.006 0.000 0.285 514 I C -0.173 176.100 176.117 0.260 0.000 1.039 514 I CA -0.854 60.612 61.300 0.277 0.000 1.074 514 I CB 1.950 40.099 38.000 0.249 0.000 1.228 514 I HN 0.068 nan 8.210 nan 0.000 0.436 515 D N 4.588 125.075 120.400 0.145 0.000 2.302 515 D HA 0.383 5.027 4.640 0.006 0.000 0.248 515 D C -0.093 176.270 176.300 0.105 0.000 1.094 515 D CA 0.351 54.445 54.000 0.156 0.000 0.897 515 D CB 2.025 42.960 40.800 0.225 0.000 1.200 515 D HN 0.584 nan 8.370 nan 0.000 0.429 516 T N -1.449 113.150 114.554 0.075 0.000 2.928 516 T HA 0.291 4.645 4.350 0.006 0.000 0.296 516 T C 0.719 175.422 174.700 0.005 0.000 1.000 516 T CA -0.805 61.327 62.100 0.054 0.000 0.989 516 T CB 1.862 70.766 68.868 0.061 0.000 1.005 516 T HN 0.196 nan 8.240 nan 0.000 0.442 517 E N 1.812 122.009 120.200 -0.004 0.000 2.077 517 E HA 0.009 4.362 4.350 0.006 0.000 0.193 517 E C 0.353 176.886 176.600 -0.111 0.000 0.989 517 E CA 0.887 57.255 56.400 -0.053 0.000 0.800 517 E CB 0.122 29.785 29.700 -0.061 0.000 0.746 517 E HN 0.546 nan 8.360 nan 0.000 0.452 518 I N 0.769 121.266 120.570 -0.121 0.000 2.476 518 I HA 0.162 4.335 4.170 0.006 0.000 0.281 518 I C 0.835 176.940 176.117 -0.020 0.000 1.040 518 I CA -0.178 61.041 61.300 -0.136 0.000 1.094 518 I CB 1.458 39.260 38.000 -0.330 0.000 1.219 518 I HN -0.013 nan 8.210 nan 0.000 0.450 519 R N 4.155 124.626 120.500 -0.048 0.000 2.081 519 R HA -0.098 4.246 4.340 0.006 0.000 0.235 519 R C 1.882 178.228 176.300 0.076 0.000 1.131 519 R CA 1.920 58.001 56.100 -0.032 0.000 0.960 519 R CB 0.052 30.220 30.300 -0.221 0.000 0.856 519 R HN 0.819 nan 8.270 nan 0.000 0.436 520 G N -0.827 107.995 108.800 0.036 0.000 2.559 520 G HA2 -0.191 3.772 3.960 0.006 0.000 0.216 520 G HA3 -0.191 3.772 3.960 0.006 0.000 0.216 520 G C 0.974 175.927 174.900 0.089 0.000 1.126 520 G CA 1.106 46.236 45.100 0.050 0.000 0.778 520 G HN 0.513 nan 8.290 nan 0.000 0.543 521 T N -1.672 112.961 114.554 0.131 0.000 3.223 521 T HA 0.317 4.670 4.350 0.006 0.000 0.259 521 T C 0.314 175.084 174.700 0.117 0.000 1.015 521 T CA -0.275 61.901 62.100 0.126 0.000 0.908 521 T CB 0.363 69.348 68.868 0.194 0.000 1.054 521 T HN -0.035 nan 8.240 nan 0.000 0.567 522 T N 3.117 117.766 114.554 0.158 0.000 2.770 522 T HA 0.569 4.922 4.350 0.006 0.000 0.283 522 T C 0.111 174.874 174.700 0.105 0.000 0.988 522 T CA -0.721 61.472 62.100 0.154 0.000 0.957 522 T CB 1.536 70.579 68.868 0.292 0.000 0.930 522 T HN 0.504 nan 8.240 nan 0.000 0.443 523 T N -0.271 114.275 114.554 -0.012 0.000 2.918 523 T HA 0.784 5.137 4.350 0.006 0.000 0.286 523 T C -0.580 173.991 174.700 -0.215 0.000 1.026 523 T CA -0.798 61.249 62.100 -0.087 0.000 1.031 523 T CB 1.373 70.192 68.868 -0.081 0.000 1.046 523 T HN 0.326 nan 8.240 nan 0.000 0.479 524 V N 2.368 122.095 119.914 -0.311 0.000 2.524 524 V HA 0.459 4.582 4.120 0.006 0.000 0.297 524 V C -1.237 174.650 176.094 -0.346 0.000 1.035 524 V CA -0.850 61.202 62.300 -0.413 0.000 0.867 524 V CB 1.745 33.211 31.823 -0.596 0.000 1.004 524 V HN 0.983 nan 8.190 nan 0.000 0.426 525 D N 3.503 123.748 120.400 -0.259 0.000 2.342 525 D HA 0.630 5.273 4.640 0.006 0.000 0.243 525 D C -0.914 175.315 176.300 -0.118 0.000 1.019 525 D CA -0.398 53.507 54.000 -0.159 0.000 0.864 525 D CB 3.181 43.912 40.800 -0.114 0.000 1.315 525 D HN 0.390 nan 8.370 nan 0.000 0.468 526 L N 2.009 123.234 121.223 0.003 0.000 2.333 526 L HA 0.507 4.850 4.340 0.006 0.000 0.280 526 L C -1.469 175.511 176.870 0.184 0.000 1.004 526 L CA -0.464 54.439 54.840 0.106 0.000 0.820 526 L CB 1.250 43.439 42.059 0.217 0.000 1.247 526 L HN 0.234 nan 8.230 nan 0.000 0.416 527 I N 4.171 124.819 120.570 0.130 0.000 2.389 527 I HA 0.445 4.618 4.170 0.006 0.000 0.288 527 I C 0.343 176.418 176.117 -0.070 0.000 0.999 527 I CA -0.091 61.251 61.300 0.070 0.000 1.129 527 I CB 1.891 39.896 38.000 0.008 0.000 1.288 527 I HN 0.697 nan 8.210 nan 0.000 0.444 528 S N 6.282 121.841 115.700 -0.235 0.000 2.624 528 S HA 0.413 4.887 4.470 0.006 0.000 0.263 528 S C -1.778 172.421 174.600 -0.668 0.000 1.287 528 S CA -0.851 56.776 58.200 -0.955 0.000 0.990 528 S CB 0.740 63.486 63.200 -0.756 0.000 0.950 528 S HN 0.425 nan 8.310 nan 0.000 0.561 529 P HA 0.009 nan 4.420 nan 0.000 0.218 529 P C 0.945 178.114 177.300 -0.219 0.000 1.146 529 P CA 1.704 64.561 63.100 -0.406 0.000 0.813 529 P CB -0.190 31.300 31.700 -0.349 0.000 0.778 530 A N -1.325 121.378 122.820 -0.195 0.000 2.251 530 A HA 0.463 4.787 4.320 0.006 0.000 0.209 530 A C 1.656 179.209 177.584 -0.052 0.000 1.187 530 A CA 0.670 52.658 52.037 -0.081 0.000 0.823 530 A CB -1.130 17.852 19.000 -0.029 0.000 0.846 530 A HN 0.235 nan 8.150 nan 0.000 0.486 531 G N -0.601 108.152 108.800 -0.079 0.000 2.159 531 G HA2 -0.233 3.731 3.960 0.006 0.000 0.256 531 G HA3 -0.233 3.731 3.960 0.006 0.000 0.256 531 G C 0.154 175.060 174.900 0.009 0.000 0.977 531 G CA 0.230 45.309 45.100 -0.035 0.000 0.652 531 G HN 0.480 nan 8.290 nan 0.000 0.531 532 I N 0.940 121.529 120.570 0.032 0.000 2.618 532 I HA 0.346 4.519 4.170 0.006 0.000 0.284 532 I C 0.810 177.021 176.117 0.157 0.000 1.146 532 I CA -0.008 61.345 61.300 0.088 0.000 1.425 532 I CB 0.934 39.005 38.000 0.119 0.000 1.383 532 I HN 0.251 nan 8.210 nan 0.000 0.562 533 I N 5.609 126.239 120.570 0.100 0.000 2.433 533 I HA 0.329 4.503 4.170 0.006 0.000 0.292 533 I C -0.481 175.724 176.117 0.146 0.000 1.001 533 I CA -0.074 61.302 61.300 0.127 0.000 1.119 533 I CB 1.323 39.353 38.000 0.051 0.000 1.289 533 I HN 0.448 nan 8.210 nan 0.000 0.438 534 S N 5.584 121.416 115.700 0.219 0.000 2.456 534 S HA 0.389 4.862 4.470 0.006 0.000 0.316 534 S C -0.530 174.181 174.600 0.186 0.000 1.089 534 S CA -0.630 57.732 58.200 0.270 0.000 1.101 534 S CB 0.749 64.121 63.200 0.287 0.000 0.995 534 S HN 0.634 nan 8.310 nan 0.000 0.468 535 N N 3.261 122.106 118.700 0.242 0.000 2.555 535 N HA 0.216 4.959 4.740 0.006 0.000 0.244 535 N C 0.788 176.304 175.510 0.010 0.000 1.114 535 N CA -0.179 52.869 53.050 -0.003 0.000 0.963 535 N CB 0.418 38.785 38.487 -0.201 0.000 1.276 535 N HN 0.507 nan 8.380 nan 0.000 0.510 536 L N 0.448 121.555 121.223 -0.193 0.000 2.084 536 L HA 0.160 4.503 4.340 0.006 0.000 0.202 536 L C 1.414 177.833 176.870 -0.753 0.000 1.074 536 L CA 0.388 54.938 54.840 -0.483 0.000 0.757 536 L CB -0.208 41.400 42.059 -0.751 0.000 0.918 536 L HN 0.431 nan 8.230 nan 0.000 0.444 537 G N 0.066 108.405 108.800 -0.768 0.000 2.416 537 G HA2 0.534 4.498 3.960 0.006 0.000 0.324 537 G HA3 0.534 4.498 3.960 0.006 0.000 0.324 537 G C -1.017 173.855 174.900 -0.046 0.000 1.194 537 G CA -0.189 44.688 45.100 -0.373 0.000 0.922 537 G HN -0.024 nan 8.290 nan 0.000 0.467 538 V N 0.185 120.212 119.914 0.189 0.000 3.074 538 V HA 0.722 4.845 4.120 0.006 0.000 0.314 538 V C 0.169 176.307 176.094 0.074 0.000 1.117 538 V CA -1.180 61.165 62.300 0.076 0.000 1.014 538 V CB 1.589 33.440 31.823 0.047 0.000 1.057 538 V HN 0.554 nan 8.190 nan 0.000 0.438 539 V N 3.050 122.974 119.914 0.016 0.000 2.557 539 V HA 0.227 4.350 4.120 0.006 0.000 0.301 539 V C 0.649 176.725 176.094 -0.030 0.000 1.026 539 V CA 0.480 62.784 62.300 0.006 0.000 1.137 539 V CB -0.136 31.680 31.823 -0.011 0.000 0.917 539 V HN 0.885 nan 8.190 nan 0.000 0.484 540 R N 5.929 126.404 120.500 -0.042 0.000 2.407 540 R HA 0.272 4.615 4.340 0.006 0.000 0.298 540 R C -2.097 174.171 176.300 -0.053 0.000 1.166 540 R CA -1.617 54.425 56.100 -0.096 0.000 1.006 540 R CB 1.644 31.816 30.300 -0.215 0.000 1.145 540 R HN 0.463 nan 8.270 nan 0.000 0.538 541 P HA -0.144 nan 4.420 nan 0.000 0.218 541 P C 0.885 178.176 177.300 -0.016 0.000 1.148 541 P CA 0.967 64.058 63.100 -0.015 0.000 0.822 541 P CB 0.367 32.059 31.700 -0.014 0.000 0.784 542 R N -0.811 119.671 120.500 -0.030 0.000 2.236 542 R HA 0.038 4.381 4.340 0.006 0.000 0.208 542 R C 0.462 176.738 176.300 -0.040 0.000 1.036 542 R CA 0.443 56.526 56.100 -0.027 0.000 1.001 542 R CB -1.273 29.014 30.300 -0.021 0.000 0.896 542 R HN 0.242 nan 8.270 nan 0.000 0.464 543 D N 1.308 121.675 120.400 -0.056 0.000 2.352 543 D HA 0.030 4.673 4.640 0.006 0.000 0.245 543 D C 0.703 176.967 176.300 -0.061 0.000 1.224 543 D CA -0.123 53.832 54.000 -0.075 0.000 0.879 543 D CB 0.973 41.712 40.800 -0.102 0.000 1.057 543 D HN -0.047 nan 8.370 nan 0.000 0.491 544 V N 1.759 121.630 119.914 -0.071 0.000 3.085 544 V HA 0.272 4.395 4.120 0.006 0.000 0.345 544 V C 0.733 176.769 176.094 -0.097 0.000 1.397 544 V CA -0.736 61.519 62.300 -0.075 0.000 1.165 544 V CB -0.214 31.571 31.823 -0.063 0.000 1.153 544 V HN 0.389 nan 8.190 nan 0.000 0.495 545 S N 1.818 117.450 115.700 -0.114 0.000 2.549 545 S HA 0.190 4.663 4.470 0.006 0.000 0.286 545 S C 1.328 175.856 174.600 -0.121 0.000 1.314 545 S CA 0.502 58.625 58.200 -0.129 0.000 1.062 545 S CB 1.009 64.105 63.200 -0.173 0.000 0.865 545 S HN 1.033 nan 8.310 nan 0.000 0.498 546 S N 3.245 118.885 115.700 -0.100 0.000 2.597 546 S HA 0.222 4.695 4.470 0.006 0.000 0.224 546 S C 0.839 175.396 174.600 -0.071 0.000 0.955 546 S CA -0.444 57.709 58.200 -0.078 0.000 0.933 546 S CB 0.028 63.192 63.200 -0.060 0.000 0.788 546 S HN 0.743 nan 8.310 nan 0.000 0.488 547 E N 1.696 121.833 120.200 -0.104 0.000 2.299 547 E HA 0.222 4.575 4.350 0.006 0.000 0.193 547 E C 1.535 178.071 176.600 -0.106 0.000 0.998 547 E CA 0.688 57.030 56.400 -0.097 0.000 0.851 547 E CB -0.672 28.956 29.700 -0.121 0.000 0.795 547 E HN 0.659 nan 8.360 nan 0.000 0.492 548 G N 1.198 109.889 108.800 -0.181 0.000 2.645 548 G HA2 -0.289 3.674 3.960 0.006 0.000 0.246 548 G HA3 -0.289 3.674 3.960 0.006 0.000 0.246 548 G C -0.549 174.135 174.900 -0.360 0.000 1.322 548 G CA -0.168 44.811 45.100 -0.201 0.000 0.898 548 G HN 0.177 nan 8.290 nan 0.000 0.573 549 F N 1.306 121.282 119.950 0.044 0.000 2.311 549 F HA 0.488 5.018 4.527 0.005 0.000 0.371 549 F C 0.573 176.438 175.800 0.107 0.000 1.083 549 F CA -0.674 57.351 58.000 0.042 0.000 1.113 549 F CB 1.773 40.811 39.000 0.064 0.000 1.349 549 F HN 0.004 nan 8.300 nan 0.000 0.470 550 K N 3.555 124.080 120.400 0.209 0.000 2.296 550 K HA 0.180 4.504 4.320 0.006 0.000 0.257 550 K C -0.251 176.454 176.600 0.175 0.000 1.088 550 K CA -0.226 56.167 56.287 0.177 0.000 0.980 550 K CB 0.365 32.928 32.500 0.106 0.000 1.430 550 K HN 0.587 nan 8.250 nan 0.000 0.441 551 D N 0.581 121.085 120.400 0.174 0.000 2.746 551 D HA -0.228 4.416 4.640 0.006 0.000 0.236 551 D C -0.435 175.920 176.300 0.093 0.000 1.129 551 D CA 0.696 54.758 54.000 0.102 0.000 0.691 551 D CB -0.938 39.891 40.800 0.049 0.000 1.077 551 D HN 0.612 nan 8.370 nan 0.000 0.432 552 W N 0.998 122.258 121.300 -0.067 0.000 2.315 552 W HA 0.309 4.973 4.660 0.007 0.000 0.316 552 W C -0.402 175.926 176.519 -0.318 0.000 1.211 552 W CA -0.002 57.224 57.345 -0.199 0.000 1.201 552 W CB 1.065 30.399 29.460 -0.210 0.000 1.184 552 W HN -0.177 nan 8.180 nan 0.000 0.544 553 T N 7.466 121.326 114.554 -1.158 0.000 2.743 553 T HA 0.325 4.678 4.350 0.006 0.000 0.292 553 T C -0.438 173.630 174.700 -1.054 0.000 0.972 553 T CA -0.160 61.420 62.100 -0.867 0.000 0.967 553 T CB 0.279 68.778 68.868 -0.615 0.000 0.926 553 T HN 0.171 nan 8.240 nan 0.000 0.459 554 F N 2.728 122.468 119.950 -0.349 0.000 2.378 554 F HA 0.620 5.151 4.527 0.005 0.000 0.325 554 F C 0.611 176.341 175.800 -0.117 0.000 1.097 554 F CA -1.023 56.885 58.000 -0.153 0.000 1.079 554 F CB 1.115 40.092 39.000 -0.038 0.000 1.240 554 F HN 0.155 nan 8.300 nan 0.000 0.519 555 M N 1.866 121.569 119.600 0.171 0.000 2.550 555 M HA 0.449 4.933 4.480 0.006 0.000 0.292 555 M C -1.559 174.829 176.300 0.146 0.000 1.221 555 M CA -0.279 55.087 55.300 0.109 0.000 0.873 555 M CB 2.175 34.783 32.600 0.013 0.000 1.727 555 M HN 0.548 nan 8.290 nan 0.000 0.459 556 S N 1.616 117.417 115.700 0.169 0.000 2.541 556 S HA 0.631 5.104 4.470 0.006 0.000 0.280 556 S C 0.074 174.766 174.600 0.154 0.000 1.112 556 S CA -0.527 57.753 58.200 0.133 0.000 0.925 556 S CB 1.457 64.769 63.200 0.186 0.000 1.067 556 S HN 0.711 nan 8.310 nan 0.000 0.479 557 V N 2.598 122.534 119.914 0.037 0.000 3.621 557 V HA 0.492 4.616 4.120 0.006 0.000 0.285 557 V C 1.721 177.747 176.094 -0.113 0.000 1.346 557 V CA 0.850 63.224 62.300 0.123 0.000 1.104 557 V CB -0.372 31.597 31.823 0.243 0.000 0.913 557 V HN 0.832 nan 8.190 nan 0.000 0.432 558 A N 0.075 122.591 122.820 -0.505 0.000 2.121 558 A HA -0.089 4.234 4.320 0.006 0.000 0.218 558 A C 1.833 179.197 177.584 -0.366 0.000 1.154 558 A CA 1.514 53.076 52.037 -0.791 0.000 0.679 558 A CB -0.802 17.742 19.000 -0.761 0.000 0.795 558 A HN 0.767 nan 8.150 nan 0.000 0.458 559 H N -2.827 116.319 119.070 0.127 0.000 2.549 559 H HA 0.008 4.568 4.556 0.005 0.000 0.279 559 H C -0.086 175.399 175.328 0.262 0.000 1.018 559 H CA -0.557 55.635 56.048 0.240 0.000 1.175 559 H CB -0.171 29.817 29.762 0.376 0.000 1.485 559 H HN 0.617 nan 8.280 nan 0.000 0.543 560 W N 2.247 123.616 121.300 0.114 0.000 2.343 560 W HA 0.108 4.770 4.660 0.004 0.000 0.337 560 W C 1.047 177.593 176.519 0.045 0.000 1.320 560 W CA 2.559 59.911 57.345 0.011 0.000 1.290 560 W CB 0.164 29.538 29.460 -0.144 0.000 1.206 560 W HN 0.586 nan 8.180 nan 0.000 0.565 561 G N 3.258 112.219 108.800 0.268 0.000 2.241 561 G HA2 -0.273 3.691 3.960 0.006 0.000 0.244 561 G HA3 -0.273 3.691 3.960 0.006 0.000 0.244 561 G C 0.282 175.306 174.900 0.206 0.000 0.998 561 G CA 0.072 45.328 45.100 0.261 0.000 0.621 561 G HN 0.553 nan 8.290 nan 0.000 0.519 562 E N 0.791 121.132 120.200 0.235 0.000 2.398 562 E HA 0.255 4.608 4.350 0.006 0.000 0.263 562 E C 1.336 178.077 176.600 0.236 0.000 1.046 562 E CA 0.221 56.764 56.400 0.237 0.000 0.908 562 E CB 0.331 30.217 29.700 0.309 0.000 0.963 562 E HN 0.479 nan 8.360 nan 0.000 0.431 563 N N 1.680 120.499 118.700 0.199 0.000 2.463 563 N HA -0.015 4.728 4.740 0.006 0.000 0.181 563 N C 1.151 176.811 175.510 0.250 0.000 1.078 563 N CA 0.790 53.955 53.050 0.192 0.000 0.902 563 N CB 0.441 39.000 38.487 0.119 0.000 0.970 563 N HN 0.703 nan 8.380 nan 0.000 0.451 564 G N -0.954 108.037 108.800 0.319 0.000 2.225 564 G HA2 -0.271 3.692 3.960 0.006 0.000 0.254 564 G HA3 -0.271 3.692 3.960 0.006 0.000 0.254 564 G C -0.246 174.882 174.900 0.380 0.000 0.988 564 G CA 0.309 45.679 45.100 0.450 0.000 0.625 564 G HN 0.337 nan 8.290 nan 0.000 0.527 565 V N 1.440 121.462 119.914 0.181 0.000 2.470 565 V HA 0.621 4.744 4.120 0.006 0.000 0.276 565 V C 1.119 177.255 176.094 0.070 0.000 1.040 565 V CA 1.297 63.659 62.300 0.103 0.000 1.008 565 V CB 0.323 32.175 31.823 0.048 0.000 0.990 565 V HN 1.943 nan 8.190 nan 0.000 0.477 566 G N 4.858 113.710 108.800 0.087 0.000 2.270 566 G HA2 -0.028 3.936 3.960 0.006 0.000 0.268 566 G HA3 -0.028 3.936 3.960 0.006 0.000 0.268 566 G C -1.495 173.444 174.900 0.066 0.000 1.312 566 G CA -0.813 44.303 45.100 0.027 0.000 1.050 566 G HN 0.533 nan 8.290 nan 0.000 0.474 567 D N 0.424 120.814 120.400 -0.016 0.000 2.277 567 D HA 0.520 5.163 4.640 0.006 0.000 0.249 567 D C -0.748 175.518 176.300 -0.057 0.000 1.134 567 D CA 0.382 54.410 54.000 0.046 0.000 0.863 567 D CB 0.675 41.495 40.800 0.034 0.000 1.143 567 D HN 0.383 nan 8.370 nan 0.000 0.458 568 W N 2.016 123.376 121.300 0.100 0.000 2.429 568 W HA 0.351 5.015 4.660 0.006 0.000 0.314 568 W C 0.629 177.267 176.519 0.198 0.000 1.062 568 W CA -0.864 56.559 57.345 0.130 0.000 1.211 568 W CB 1.314 30.864 29.460 0.151 0.000 1.305 568 W HN 0.015 nan 8.180 nan 0.000 0.476 569 K N 4.625 125.192 120.400 0.278 0.000 2.345 569 K HA 0.568 4.892 4.320 0.006 0.000 0.255 569 K C -1.233 175.344 176.600 -0.038 0.000 0.934 569 K CA -0.733 55.630 56.287 0.127 0.000 0.801 569 K CB 1.578 34.108 32.500 0.049 0.000 1.137 569 K HN 0.660 nan 8.250 nan 0.000 0.424 570 I N 3.480 123.842 120.570 -0.347 0.000 2.437 570 I HA 0.302 4.475 4.170 0.006 0.000 0.298 570 I C -1.065 174.846 176.117 -0.343 0.000 0.984 570 I CA -0.602 60.373 61.300 -0.541 0.000 1.214 570 I CB 0.933 38.172 38.000 -1.269 0.000 1.365 570 I HN 0.581 nan 8.210 nan 0.000 0.469 571 K N 6.343 126.568 120.400 -0.292 0.000 2.463 571 K HA 0.552 4.875 4.320 0.006 0.000 0.255 571 K C -1.589 174.837 176.600 -0.290 0.000 0.942 571 K CA -0.626 55.529 56.287 -0.219 0.000 0.814 571 K CB 2.444 34.862 32.500 -0.137 0.000 1.122 571 K HN 0.280 nan 8.250 nan 0.000 0.425 572 V N 3.666 123.400 119.914 -0.301 0.000 2.448 572 V HA 0.417 4.541 4.120 0.006 0.000 0.295 572 V C -0.549 175.442 176.094 -0.172 0.000 1.025 572 V CA -0.788 61.300 62.300 -0.352 0.000 0.859 572 V CB 1.497 32.908 31.823 -0.686 0.000 0.988 572 V HN 0.680 nan 8.190 nan 0.000 0.431 573 K N 1.776 122.095 120.400 -0.134 0.000 2.435 573 K HA 0.668 4.991 4.320 0.006 0.000 0.251 573 K C -0.752 175.829 176.600 -0.032 0.000 0.954 573 K CA -0.714 55.533 56.287 -0.067 0.000 0.820 573 K CB 2.500 34.962 32.500 -0.064 0.000 1.292 573 K HN 0.601 nan 8.250 nan 0.000 0.436 574 T N 0.015 114.565 114.554 -0.007 0.000 2.859 574 T HA 0.199 4.553 4.350 0.006 0.000 0.281 574 T C 0.753 175.443 174.700 -0.015 0.000 1.005 574 T CA -0.403 61.706 62.100 0.016 0.000 1.025 574 T CB 0.852 69.749 68.868 0.049 0.000 0.977 574 T HN 0.728 nan 8.240 nan 0.000 0.458 575 T N 1.076 115.616 114.554 -0.024 0.000 3.054 575 T HA 0.398 4.751 4.350 0.006 0.000 0.255 575 T C 0.208 174.838 174.700 -0.117 0.000 1.035 575 T CA -0.208 61.858 62.100 -0.056 0.000 0.941 575 T CB 0.057 68.902 68.868 -0.038 0.000 1.026 575 T HN 0.626 nan 8.240 nan 0.000 0.533 576 E N 1.703 121.779 120.200 -0.206 0.000 2.263 576 E HA 0.343 4.696 4.350 0.006 0.000 0.268 576 E C -1.048 175.371 176.600 -0.303 0.000 0.884 576 E CA -1.010 55.166 56.400 -0.374 0.000 0.766 576 E CB 1.257 30.457 29.700 -0.833 0.000 1.196 576 E HN 0.110 nan 8.360 nan 0.000 0.416 577 N N 0.983 119.579 118.700 -0.173 0.000 2.412 577 N HA 0.039 4.782 4.740 0.006 0.000 0.258 577 N C 0.995 176.485 175.510 -0.033 0.000 1.236 577 N CA 1.520 54.524 53.050 -0.076 0.000 0.882 577 N CB 1.035 39.494 38.487 -0.046 0.000 1.066 577 N HN 0.927 nan 8.380 nan 0.000 0.465 578 G N 1.371 110.196 108.800 0.041 0.000 2.217 578 G HA2 -0.243 3.720 3.960 0.006 0.000 0.246 578 G HA3 -0.243 3.720 3.960 0.006 0.000 0.246 578 G C -0.168 174.865 174.900 0.222 0.000 0.990 578 G CA -0.239 44.929 45.100 0.113 0.000 0.627 578 G HN 0.792 nan 8.290 nan 0.000 0.522 579 H N 1.161 120.237 119.070 0.010 0.000 3.008 579 H HA 0.346 4.905 4.556 0.005 0.000 0.268 579 H C 0.919 176.258 175.328 0.019 0.000 1.323 579 H CA -0.604 55.452 56.048 0.014 0.000 1.401 579 H CB 0.464 30.233 29.762 0.013 0.000 1.556 579 H HN 0.310 nan 8.280 nan 0.000 0.502 580 R N 3.822 124.392 120.500 0.116 0.000 2.491 580 R HA 0.230 4.573 4.340 0.006 0.000 0.283 580 R C -0.315 176.030 176.300 0.074 0.000 1.072 580 R CA -0.314 55.834 56.100 0.080 0.000 1.048 580 R CB 0.363 30.699 30.300 0.059 0.000 0.983 580 R HN 0.632 nan 8.270 nan 0.000 0.450 581 I N 0.328 120.939 120.570 0.069 0.000 2.608 581 I HA 0.471 4.644 4.170 0.006 0.000 0.295 581 I C -1.323 174.819 176.117 0.042 0.000 1.049 581 I CA -0.940 60.398 61.300 0.064 0.000 1.063 581 I CB 2.609 40.651 38.000 0.071 0.000 1.248 581 I HN 0.443 nan 8.210 nan 0.000 0.424 582 D N 6.278 126.674 120.400 -0.006 0.000 2.454 582 D HA 0.204 4.847 4.640 0.006 0.000 0.247 582 D C -1.234 174.910 176.300 -0.261 0.000 1.129 582 D CA -0.121 53.805 54.000 -0.123 0.000 0.877 582 D CB 2.098 42.813 40.800 -0.142 0.000 1.082 582 D HN 0.409 nan 8.370 nan 0.000 0.537 583 F N 4.222 124.026 119.950 -0.243 0.000 2.405 583 F HA 0.139 4.670 4.527 0.005 0.000 0.358 583 F C 1.024 176.755 175.800 -0.114 0.000 1.151 583 F CA -0.476 57.429 58.000 -0.158 0.000 1.161 583 F CB 0.131 39.090 39.000 -0.070 0.000 1.245 583 F HN 0.323 nan 8.300 nan 0.000 0.545 584 H N 2.638 121.869 119.070 0.268 0.000 2.329 584 H HA 0.120 4.679 4.556 0.005 0.000 0.306 584 H C 0.750 176.059 175.328 -0.032 0.000 1.062 584 H CA 1.233 57.346 56.048 0.109 0.000 1.364 584 H CB 0.033 29.901 29.762 0.177 0.000 1.409 584 H HN 0.468 nan 8.280 nan 0.000 0.519 585 S N -0.589 115.203 115.700 0.154 0.000 2.565 585 S HA 0.435 4.908 4.470 0.006 0.000 0.269 585 S C -1.662 173.157 174.600 0.364 0.000 1.153 585 S CA -1.052 57.150 58.200 0.003 0.000 0.835 585 S CB 2.477 65.498 63.200 -0.299 0.000 1.122 585 S HN 0.471 nan 8.310 nan 0.000 0.462 586 W N 0.840 122.130 121.300 -0.017 0.000 3.033 586 W HA 0.783 5.446 4.660 0.006 0.000 0.336 586 W C -1.339 175.136 176.519 -0.073 0.000 1.173 586 W CA -1.116 56.276 57.345 0.078 0.000 1.185 586 W CB 1.336 30.951 29.460 0.258 0.000 1.425 586 W HN 1.014 nan 8.180 nan 0.000 0.536 587 R N 3.027 123.480 120.500 -0.078 0.000 2.483 587 R HA 0.465 4.808 4.340 0.006 0.000 0.303 587 R C -1.581 174.575 176.300 -0.240 0.000 0.987 587 R CA -0.854 55.057 56.100 -0.315 0.000 0.881 587 R CB 1.843 31.977 30.300 -0.276 0.000 1.177 587 R HN 0.559 nan 8.270 nan 0.000 0.451 588 L N 4.043 125.025 121.223 -0.401 0.000 2.305 588 L HA 0.412 4.755 4.340 0.006 0.000 0.281 588 L C -0.966 175.723 176.870 -0.303 0.000 1.085 588 L CA 0.436 55.106 54.840 -0.283 0.000 0.813 588 L CB 0.838 42.665 42.059 -0.387 0.000 1.157 588 L HN 0.526 nan 8.230 nan 0.000 0.436 589 K N 5.267 125.528 120.400 -0.232 0.000 2.397 589 K HA 0.548 4.871 4.320 0.006 0.000 0.253 589 K C -1.580 174.889 176.600 -0.218 0.000 0.932 589 K CA -0.837 55.305 56.287 -0.241 0.000 0.795 589 K CB 1.967 34.278 32.500 -0.314 0.000 1.159 589 K HN 0.311 nan 8.250 nan 0.000 0.424 590 L N 3.698 124.759 121.223 -0.271 0.000 2.296 590 L HA 0.496 4.840 4.340 0.006 0.000 0.286 590 L C -1.009 175.806 176.870 -0.091 0.000 1.023 590 L CA -0.167 54.562 54.840 -0.184 0.000 0.812 590 L CB 0.409 42.222 42.059 -0.410 0.000 1.223 590 L HN 0.471 nan 8.230 nan 0.000 0.421 591 F N 1.486 121.638 119.950 0.335 0.000 2.480 591 F HA 0.849 5.379 4.527 0.004 0.000 0.329 591 F C 0.823 176.810 175.800 0.311 0.000 1.091 591 F CA -0.327 57.927 58.000 0.423 0.000 0.972 591 F CB 2.209 41.382 39.000 0.288 0.000 1.150 591 F HN 0.527 nan 8.300 nan 0.000 0.467 592 G N 0.987 109.977 108.800 0.318 0.000 2.494 592 G HA2 0.288 4.251 3.960 0.006 0.000 0.308 592 G HA3 0.288 4.251 3.960 0.006 0.000 0.308 592 G C -1.976 172.777 174.900 -0.245 0.000 1.263 592 G CA -0.823 44.176 45.100 -0.169 0.000 0.840 592 G HN 0.533 nan 8.290 nan 0.000 0.479 593 E N 0.233 120.223 120.200 -0.351 0.000 2.283 593 E HA 0.503 4.856 4.350 0.006 0.000 0.278 593 E C 0.558 176.946 176.600 -0.353 0.000 1.027 593 E CA -0.317 55.944 56.400 -0.231 0.000 0.843 593 E CB 0.965 30.593 29.700 -0.120 0.000 1.062 593 E HN 0.595 nan 8.360 nan 0.000 0.401 594 S N 3.414 118.979 115.700 -0.226 0.000 2.601 594 S HA 0.174 4.647 4.470 0.006 0.000 0.271 594 S C 1.283 175.784 174.600 -0.166 0.000 1.305 594 S CA -0.633 57.444 58.200 -0.206 0.000 1.022 594 S CB 0.882 63.994 63.200 -0.146 0.000 0.940 594 S HN 0.615 nan 8.310 nan 0.000 0.525 595 I N 0.408 120.895 120.570 -0.138 0.000 2.202 595 I HA -0.040 4.133 4.170 0.006 0.000 0.242 595 I C 0.644 176.708 176.117 -0.087 0.000 1.091 595 I CA 1.331 62.570 61.300 -0.101 0.000 1.368 595 I CB -0.112 37.843 38.000 -0.075 0.000 1.058 595 I HN 0.656 nan 8.210 nan 0.000 0.410 596 D N -0.971 119.379 120.400 -0.083 0.000 2.620 596 D HA 0.220 4.863 4.640 0.006 0.000 0.252 596 D C 0.616 176.874 176.300 -0.070 0.000 1.207 596 D CA -0.201 53.757 54.000 -0.070 0.000 0.884 596 D CB 1.616 42.381 40.800 -0.058 0.000 1.262 596 D HN -0.175 nan 8.370 nan 0.000 0.552 597 S N 1.350 117.013 115.700 -0.063 0.000 2.383 597 S HA -0.180 4.294 4.470 0.006 0.000 0.229 597 S C 1.878 176.454 174.600 -0.040 0.000 1.030 597 S CA 1.616 59.786 58.200 -0.050 0.000 1.002 597 S CB -0.127 63.050 63.200 -0.039 0.000 0.829 597 S HN 0.689 nan 8.310 nan 0.000 0.467 598 S N 1.046 116.724 115.700 -0.037 0.000 2.481 598 S HA 0.041 4.514 4.470 0.006 0.000 0.231 598 S C 1.510 176.088 174.600 -0.036 0.000 0.996 598 S CA 0.861 59.043 58.200 -0.029 0.000 0.942 598 S CB -0.202 62.982 63.200 -0.026 0.000 0.768 598 S HN 0.398 nan 8.310 nan 0.000 0.520 599 K N 1.474 121.844 120.400 -0.050 0.000 2.418 599 K HA 0.136 4.459 4.320 0.006 0.000 0.195 599 K C -0.196 176.355 176.600 -0.082 0.000 1.035 599 K CA 0.344 56.595 56.287 -0.060 0.000 1.003 599 K CB -0.104 32.357 32.500 -0.065 0.000 0.793 599 K HN 0.303 nan 8.250 nan 0.000 0.494 600 T N 2.139 116.644 114.554 -0.083 0.000 2.869 600 T HA 0.100 4.453 4.350 0.006 0.000 0.295 600 T C -0.268 174.405 174.700 -0.045 0.000 0.987 600 T CA -0.511 61.529 62.100 -0.099 0.000 1.109 600 T CB 1.267 70.086 68.868 -0.082 0.000 0.932 600 T HN 0.156 nan 8.240 nan 0.000 0.518 601 E N 0.000 120.179 120.200 -0.034 0.000 2.725 601 E HA 0.000 4.353 4.350 0.006 0.000 0.291 601 E CA 0.000 56.347 56.400 -0.088 0.000 0.976 601 E CB 0.000 29.719 29.700 0.031 0.000 0.812 601 E HN 0.000 nan 8.360 nan 0.000 0.440