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 1v3d_1_B DATA FIRST_RESID 142 DATA SEQUENCE ITHDVGIKPL NPDDFWRcTS GLPSLMKTPK IRLMPGPGLL AMPTTVDGcI DATA SEQUENCE RTPSLVINDL IYAYTSNLIT RGcQDIGKSY QVLQIGIITV NSDLVPDLNP DATA SEQUENCE RISHTFNIND NRKScSLALL NTDVYQLcST PKVDERSDYA SPGIEDIVLD DATA SEQUENCE IVNYDGSIST TRFKNNNISF DQPYAALYPS VGPGIYYKGK IIFLGYGGLE DATA SEQUENCE HPINENVIcN TTGcPGKTQR DcNQASHSPW FSDRRMVNSI IVVDKGLNSI DATA SEQUENCE PKLKVWTISM RQNYWGSEGR LLLLGNKIYI YTRSTSWHSK LQLGIIDITD DATA SEQUENCE YSDIRIKWTW HNVLSRPGNN EcPWGHScPD GcITGVYTDA YPLNPTGSIV DATA SEQUENCE SSVILDSQKS RVNPVITYST ATERVNELAI LNRTLSAGYT TTScITHYNK DATA SEQUENCE GYcFHIVEIN HKSLNTLQPM LFKTEIPKSc S 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 142 I HA 0.000 nan 4.170 nan 0.000 0.288 142 I C 0.000 176.074 176.117 -0.071 0.000 1.063 142 I CA 0.000 61.382 61.300 0.136 0.000 1.566 142 I CB 0.000 38.078 38.000 0.130 0.000 1.214 143 T N -1.940 112.564 114.554 -0.083 0.000 2.812 143 T HA 0.493 4.843 4.350 0.000 0.000 0.294 143 T C -0.496 174.148 174.700 -0.094 0.000 1.159 143 T CA -0.604 61.375 62.100 -0.200 0.000 1.008 143 T CB 1.481 70.250 68.868 -0.165 0.000 1.289 143 T HN 0.088 nan 8.240 nan 0.000 0.514 144 H N 1.067 120.123 119.070 -0.023 0.000 3.016 144 H HA 0.180 4.737 4.556 0.000 0.000 0.345 144 H C 0.031 175.359 175.328 -0.000 0.000 1.066 144 H CA 0.335 56.379 56.048 -0.007 0.000 1.390 144 H CB 0.128 29.885 29.762 -0.007 0.000 1.344 144 H HN 0.607 nan 8.280 nan 0.000 0.605 145 D N 0.636 121.117 120.400 0.135 0.000 2.449 145 D HA -0.037 4.604 4.640 0.000 0.000 0.236 145 D C 0.331 176.681 176.300 0.083 0.000 1.149 145 D CA -0.104 53.948 54.000 0.086 0.000 0.878 145 D CB 0.846 41.677 40.800 0.053 0.000 1.198 145 D HN 0.181 nan 8.370 nan 0.000 0.446 146 V N 2.146 122.114 119.914 0.092 0.000 2.788 146 V HA 0.310 4.430 4.120 0.000 0.000 0.307 146 V C 1.506 177.586 176.094 -0.025 0.000 1.069 146 V CA 1.700 64.044 62.300 0.073 0.000 1.173 146 V CB 0.645 32.542 31.823 0.123 0.000 0.925 146 V HN 0.887 nan 8.190 nan 0.000 0.492 147 G N 5.046 113.734 108.800 -0.186 0.000 2.241 147 G HA2 -0.223 3.737 3.960 0.000 0.000 0.244 147 G HA3 -0.223 3.737 3.960 0.000 0.000 0.244 147 G C 0.109 174.817 174.900 -0.319 0.000 0.998 147 G CA 0.186 44.878 45.100 -0.679 0.000 0.621 147 G HN 0.803 nan 8.290 nan 0.000 0.519 148 I N 2.150 122.657 120.570 -0.105 0.000 2.342 148 I HA 0.511 4.681 4.170 0.000 0.000 0.291 148 I C 0.436 176.516 176.117 -0.062 0.000 1.010 148 I CA -0.332 60.920 61.300 -0.079 0.000 1.308 148 I CB 1.295 39.211 38.000 -0.139 0.000 1.400 148 I HN 0.362 nan 8.210 nan 0.000 0.488 149 K N 5.775 126.145 120.400 -0.050 0.000 2.556 149 K HA 0.621 4.941 4.320 0.000 0.000 0.274 149 K C -3.109 173.488 176.600 -0.004 0.000 0.966 149 K CA -2.111 54.173 56.287 -0.005 0.000 0.865 149 K CB 1.455 33.979 32.500 0.039 0.000 1.444 149 K HN 0.018 nan 8.250 nan 0.000 0.433 150 P HA -0.005 nan 4.420 nan 0.000 0.267 150 P C -0.464 176.883 177.300 0.079 0.000 1.205 150 P CA -0.307 62.831 63.100 0.063 0.000 0.765 150 P CB 0.419 32.198 31.700 0.132 0.000 0.828 151 L N 4.008 125.242 121.223 0.018 0.000 2.584 151 L HA 0.046 4.386 4.340 0.000 0.000 0.272 151 L C 0.500 177.480 176.870 0.183 0.000 1.195 151 L CA 0.212 55.063 54.840 0.019 0.000 0.920 151 L CB -0.034 41.894 42.059 -0.218 0.000 1.173 151 L HN 0.340 nan 8.230 nan 0.000 0.489 152 N N 6.907 125.712 118.700 0.174 0.000 2.485 152 N HA 0.298 5.038 4.740 0.000 0.000 0.243 152 N C -2.009 173.647 175.510 0.244 0.000 0.987 152 N CA -2.265 50.900 53.050 0.191 0.000 0.940 152 N CB 1.659 40.248 38.487 0.169 0.000 1.122 152 N HN 0.317 nan 8.380 nan 0.000 0.509 153 P HA -0.182 nan 4.420 nan 0.000 0.218 153 P C 0.690 178.175 177.300 0.307 0.000 1.152 153 P CA 1.277 64.537 63.100 0.267 0.000 0.857 153 P CB 0.333 32.119 31.700 0.143 0.000 0.787 154 D N -1.332 119.212 120.400 0.240 0.000 2.178 154 D HA -0.160 4.480 4.640 0.000 0.000 0.201 154 D C 1.348 177.770 176.300 0.203 0.000 0.980 154 D CA 1.271 55.395 54.000 0.206 0.000 0.842 154 D CB -0.318 40.577 40.800 0.158 0.000 0.948 154 D HN 0.081 nan 8.370 nan 0.000 0.472 155 D N -0.985 119.547 120.400 0.219 0.000 2.262 155 D HA -0.062 4.578 4.640 0.000 0.000 0.212 155 D C 1.622 178.061 176.300 0.232 0.000 0.964 155 D CA 0.174 54.289 54.000 0.191 0.000 0.875 155 D CB -0.504 40.400 40.800 0.173 0.000 0.996 155 D HN 0.248 nan 8.370 nan 0.000 0.497 156 F N 0.658 120.705 119.950 0.160 0.000 2.134 156 F HA -0.078 4.449 4.527 0.000 0.000 0.299 156 F C 1.308 177.236 175.800 0.213 0.000 1.097 156 F CA 0.940 59.046 58.000 0.177 0.000 1.264 156 F CB -0.034 39.100 39.000 0.222 0.000 1.001 156 F HN 0.005 nan 8.300 nan 0.000 0.479 157 W N 5.539 126.859 121.300 0.033 0.000 2.564 157 W HA 0.141 4.801 4.660 0.000 0.000 0.447 157 W C -0.310 176.158 176.519 -0.086 0.000 0.701 157 W CA -0.231 57.060 57.345 -0.089 0.000 2.223 157 W CB -0.526 28.980 29.460 0.077 0.000 0.990 157 W HN 0.036 nan 8.180 nan 0.000 0.698 158 R N 0.215 120.576 120.500 -0.231 0.000 2.837 158 R HA 0.638 4.978 4.340 0.000 0.000 0.271 158 R C -1.255 174.884 176.300 -0.268 0.000 0.993 158 R CA -0.653 55.328 56.100 -0.198 0.000 0.931 158 R CB 1.137 31.403 30.300 -0.057 0.000 1.206 158 R HN -0.073 nan 8.270 nan 0.000 0.474 159 c N 0.037 118.512 118.600 -0.208 0.000 2.529 159 c HA 0.406 4.976 4.570 0.000 0.000 0.329 159 c C 1.715 175.736 174.090 -0.115 0.000 1.194 159 c CA -0.452 55.763 56.329 -0.189 0.000 1.779 159 c CB 1.990 44.380 42.510 -0.201 0.000 2.322 159 c HN 0.969 nan 8.230 nan 0.000 0.500 160 T N 0.802 115.295 114.554 -0.102 0.000 3.043 160 T HA 0.074 4.424 4.350 0.000 0.000 0.263 160 T C 0.459 175.122 174.700 -0.062 0.000 1.094 160 T CA 1.268 63.327 62.100 -0.068 0.000 1.127 160 T CB -0.158 68.673 68.868 -0.061 0.000 0.905 160 T HN 0.958 nan 8.240 nan 0.000 0.490 161 S N -1.389 114.266 115.700 -0.075 0.000 2.558 161 S HA 0.605 5.075 4.470 0.000 0.000 0.277 161 S C 0.013 174.566 174.600 -0.078 0.000 1.143 161 S CA -0.384 57.778 58.200 -0.064 0.000 0.865 161 S CB 1.173 64.342 63.200 -0.052 0.000 1.102 161 S HN 0.792 nan 8.310 nan 0.000 0.454 162 G N 0.690 109.450 108.800 -0.066 0.000 2.693 162 G HA2 -0.016 3.944 3.960 0.000 0.000 0.226 162 G HA3 -0.016 3.944 3.960 0.000 0.000 0.226 162 G C -1.194 173.651 174.900 -0.091 0.000 1.354 162 G CA -0.237 44.820 45.100 -0.071 0.000 0.873 162 G HN 1.305 nan 8.290 nan 0.000 0.562 163 L N 1.600 122.763 121.223 -0.099 0.000 2.362 163 L HA 0.589 4.929 4.340 0.000 0.000 0.271 163 L C -1.815 174.934 176.870 -0.202 0.000 1.002 163 L CA -2.041 52.725 54.840 -0.122 0.000 0.818 163 L CB 2.608 44.634 42.059 -0.056 0.000 1.298 163 L HN 0.561 nan 8.230 nan 0.000 0.420 164 P HA 0.245 nan 4.420 nan 0.000 0.275 164 P C -1.033 175.999 177.300 -0.446 0.000 1.228 164 P CA -0.180 62.525 63.100 -0.658 0.000 0.786 164 P CB 1.643 32.575 31.700 -1.279 0.000 0.927 165 S N 1.353 116.822 115.700 -0.384 0.000 2.611 165 S HA 0.397 4.867 4.470 0.000 0.000 0.270 165 S C -0.918 173.765 174.600 0.139 0.000 1.131 165 S CA -1.024 57.241 58.200 0.109 0.000 0.826 165 S CB 0.284 63.543 63.200 0.097 0.000 1.095 165 S HN 0.235 nan 8.310 nan 0.000 0.461 166 L N 1.812 123.230 121.223 0.324 0.000 2.371 166 L HA 0.490 4.830 4.340 0.000 0.000 0.272 166 L C 0.319 177.246 176.870 0.095 0.000 1.124 166 L CA -0.544 54.430 54.840 0.223 0.000 0.816 166 L CB 0.729 42.935 42.059 0.245 0.000 1.129 166 L HN 0.791 nan 8.230 nan 0.000 0.448 167 M N 1.188 120.807 119.600 0.031 0.000 2.363 167 M HA 0.402 4.883 4.480 0.000 0.000 0.343 167 M C 0.285 176.593 176.300 0.014 0.000 1.165 167 M CA -0.603 54.702 55.300 0.009 0.000 1.046 167 M CB 1.764 34.349 32.600 -0.024 0.000 1.648 167 M HN 0.372 nan 8.290 nan 0.000 0.452 168 K N 0.486 120.897 120.400 0.019 0.000 2.155 168 K HA 0.072 4.392 4.320 0.000 0.000 0.203 168 K C -0.031 176.575 176.600 0.009 0.000 1.052 168 K CA 0.948 57.248 56.287 0.021 0.000 0.948 168 K CB 0.175 32.689 32.500 0.022 0.000 0.728 168 K HN 0.748 nan 8.250 nan 0.000 0.448 169 T N 2.314 116.868 114.554 -0.001 0.000 2.861 169 T HA 0.298 4.648 4.350 0.000 0.000 0.287 169 T C -2.603 172.087 174.700 -0.016 0.000 1.003 169 T CA -1.435 60.661 62.100 -0.006 0.000 0.977 169 T CB 2.363 71.229 68.868 -0.004 0.000 0.996 169 T HN 0.012 nan 8.240 nan 0.000 0.448 170 P HA 0.330 nan 4.420 nan 0.000 0.281 170 P C -0.624 176.671 177.300 -0.008 0.000 1.249 170 P CA -0.774 62.320 63.100 -0.010 0.000 0.810 170 P CB 1.045 32.739 31.700 -0.009 0.000 1.008 171 K N 2.701 123.102 120.400 0.001 0.000 2.484 171 K HA 0.071 4.391 4.320 0.000 0.000 0.280 171 K C 0.800 177.407 176.600 0.012 0.000 1.013 171 K CA -0.370 55.922 56.287 0.009 0.000 1.029 171 K CB -0.152 32.355 32.500 0.011 0.000 0.902 171 K HN 0.462 nan 8.250 nan 0.000 0.481 172 I N 1.251 121.834 120.570 0.021 0.000 3.003 172 I HA 0.024 4.194 4.170 0.000 0.000 0.294 172 I C -0.306 175.838 176.117 0.045 0.000 1.237 172 I CA 0.053 61.373 61.300 0.034 0.000 1.417 172 I CB 0.364 38.420 38.000 0.092 0.000 1.340 172 I HN 0.566 nan 8.210 nan 0.000 0.594 173 R N 4.659 125.192 120.500 0.054 0.000 2.795 173 R HA 0.623 4.963 4.340 0.000 0.000 0.275 173 R C -1.120 175.233 176.300 0.087 0.000 0.981 173 R CA -1.066 55.070 56.100 0.059 0.000 0.917 173 R CB 2.069 32.396 30.300 0.046 0.000 1.202 173 R HN 0.574 nan 8.270 nan 0.000 0.469 174 L N 2.820 124.103 121.223 0.099 0.000 2.426 174 L HA 0.264 4.604 4.340 0.000 0.000 0.271 174 L C 0.200 177.134 176.870 0.106 0.000 1.169 174 L CA 0.266 55.189 54.840 0.139 0.000 0.836 174 L CB 0.506 42.675 42.059 0.182 0.000 1.112 174 L HN 0.468 nan 8.230 nan 0.000 0.465 175 M N 5.548 125.209 119.600 0.103 0.000 2.111 175 M HA 0.283 4.763 4.480 0.000 0.000 0.351 175 M C -1.998 174.330 176.300 0.047 0.000 1.214 175 M CA -1.749 53.589 55.300 0.065 0.000 1.120 175 M CB 0.820 33.450 32.600 0.051 0.000 1.443 175 M HN 0.318 nan 8.290 nan 0.000 0.429 176 P HA 0.398 nan 4.420 nan 0.000 0.278 176 P C 0.239 177.540 177.300 0.002 0.000 1.270 176 P CA 0.263 63.376 63.100 0.021 0.000 0.800 176 P CB 0.659 32.373 31.700 0.023 0.000 1.142 177 G N -1.199 107.595 108.800 -0.010 0.000 2.392 177 G HA2 0.115 4.075 3.960 0.000 0.000 0.677 177 G HA3 0.115 4.075 3.960 0.000 0.000 0.677 177 G C -3.045 171.837 174.900 -0.031 0.000 1.334 177 G CA -0.700 44.391 45.100 -0.016 0.000 0.961 177 G HN 0.683 nan 8.290 nan 0.000 0.616 178 P HA 0.545 nan 4.420 nan 0.000 0.275 178 P C 0.304 177.574 177.300 -0.051 0.000 1.227 178 P CA 0.427 63.504 63.100 -0.037 0.000 0.781 178 P CB 1.406 33.090 31.700 -0.025 0.000 0.906 179 G N 1.259 110.019 108.800 -0.067 0.000 2.482 179 G HA2 0.536 4.496 3.960 0.000 0.000 0.317 179 G HA3 0.536 4.496 3.960 0.000 0.000 0.317 179 G C -1.676 173.181 174.900 -0.071 0.000 1.241 179 G CA -0.484 44.563 45.100 -0.090 0.000 0.967 179 G HN 0.460 nan 8.290 nan 0.000 0.482 180 L N 2.196 123.374 121.223 -0.075 0.000 2.470 180 L HA 0.518 4.858 4.340 0.000 0.000 0.253 180 L C -0.768 176.075 176.870 -0.046 0.000 1.163 180 L CA -0.306 54.509 54.840 -0.041 0.000 0.932 180 L CB 0.654 42.705 42.059 -0.013 0.000 1.213 180 L HN 0.373 nan 8.230 nan 0.000 0.485 181 L N 2.628 123.825 121.223 -0.044 0.000 2.346 181 L HA 0.768 5.108 4.340 0.000 0.000 0.276 181 L C 0.718 177.646 176.870 0.097 0.000 1.006 181 L CA -1.042 53.797 54.840 -0.001 0.000 0.817 181 L CB 1.842 43.849 42.059 -0.086 0.000 1.272 181 L HN 0.538 nan 8.230 nan 0.000 0.421 182 A N 4.603 127.529 122.820 0.178 0.000 2.586 182 A HA 0.329 4.649 4.320 0.000 0.000 0.231 182 A C -0.016 177.621 177.584 0.089 0.000 1.055 182 A CA 0.513 52.616 52.037 0.110 0.000 0.756 182 A CB 0.053 19.117 19.000 0.108 0.000 0.988 182 A HN 0.785 nan 8.150 nan 0.000 0.509 183 M N 0.789 120.416 119.600 0.046 0.000 2.667 183 M HA 0.715 5.195 4.480 0.000 0.000 0.286 183 M C -2.930 173.380 176.300 0.016 0.000 1.270 183 M CA -2.131 53.196 55.300 0.045 0.000 0.826 183 M CB 1.155 33.781 32.600 0.043 0.000 1.743 183 M HN 0.265 nan 8.290 nan 0.000 0.460 184 P HA 0.327 nan 4.420 nan 0.000 0.276 184 P C -0.040 177.257 177.300 -0.005 0.000 1.252 184 P CA -0.350 62.756 63.100 0.009 0.000 0.802 184 P CB 0.601 32.323 31.700 0.037 0.000 1.035 185 T N -4.094 110.448 114.554 -0.019 0.000 3.228 185 T HA 0.297 4.647 4.350 0.000 0.000 0.278 185 T C -0.003 174.697 174.700 -0.000 0.000 1.014 185 T CA -0.329 61.760 62.100 -0.018 0.000 0.904 185 T CB -0.953 67.891 68.868 -0.041 0.000 1.110 185 T HN 0.522 nan 8.240 nan 0.000 0.541 186 T N -2.276 112.286 114.554 0.014 0.000 2.952 186 T HA 0.495 4.845 4.350 0.000 0.000 0.305 186 T C 0.725 175.441 174.700 0.028 0.000 1.064 186 T CA -0.602 61.512 62.100 0.023 0.000 1.008 186 T CB 1.770 70.658 68.868 0.035 0.000 1.078 186 T HN -0.177 nan 8.240 nan 0.000 0.459 187 V N 1.726 121.655 119.914 0.024 0.000 2.867 187 V HA -0.072 4.048 4.120 0.000 0.000 0.260 187 V C 1.729 177.846 176.094 0.039 0.000 1.099 187 V CA 2.395 64.712 62.300 0.028 0.000 1.122 187 V CB -0.586 31.247 31.823 0.018 0.000 0.708 187 V HN 1.007 nan 8.190 nan 0.000 0.490 188 D N -0.643 119.779 120.400 0.037 0.000 2.349 188 D HA 0.132 4.772 4.640 0.000 0.000 0.214 188 D C 1.017 177.345 176.300 0.045 0.000 1.063 188 D CA 0.437 54.461 54.000 0.040 0.000 0.847 188 D CB -0.280 40.539 40.800 0.033 0.000 0.933 188 D HN 0.375 nan 8.370 nan 0.000 0.513 189 G N 0.007 108.837 108.800 0.050 0.000 2.544 189 G HA2 0.320 4.280 3.960 0.000 0.000 0.242 189 G HA3 0.320 4.280 3.960 0.000 0.000 0.242 189 G C -0.583 174.350 174.900 0.055 0.000 1.247 189 G CA -0.260 44.873 45.100 0.056 0.000 0.840 189 G HN 0.386 nan 8.290 nan 0.000 0.578 190 c N 1.904 120.534 118.600 0.051 0.000 2.698 190 c HA 0.718 5.289 4.570 0.000 0.000 0.309 190 c C -0.408 173.704 174.090 0.036 0.000 1.186 190 c CA -0.909 55.442 56.329 0.037 0.000 1.474 190 c CB 0.238 42.761 42.510 0.022 0.000 2.020 190 c HN 0.599 nan 8.230 nan 0.000 0.474 191 I N 6.389 126.975 120.570 0.026 0.000 2.406 191 I HA 0.575 4.745 4.170 0.000 0.000 0.290 191 I C -0.178 175.940 176.117 0.001 0.000 0.999 191 I CA -0.465 60.854 61.300 0.030 0.000 1.124 191 I CB 1.199 39.232 38.000 0.055 0.000 1.289 191 I HN 0.582 nan 8.210 nan 0.000 0.441 192 R N 2.386 122.878 120.500 -0.014 0.000 2.939 192 R HA 0.496 4.836 4.340 0.000 0.000 0.254 192 R C -0.273 175.998 176.300 -0.049 0.000 1.123 192 R CA -0.670 55.390 56.100 -0.067 0.000 1.020 192 R CB 1.272 31.509 30.300 -0.104 0.000 1.206 192 R HN 0.795 nan 8.270 nan 0.000 0.491 193 T N -0.988 113.510 114.554 -0.093 0.000 3.219 193 T HA -0.110 4.240 4.350 0.000 0.000 0.433 193 T C -2.076 172.644 174.700 0.034 0.000 0.771 193 T CA -0.229 61.888 62.100 0.028 0.000 2.178 193 T CB -1.605 67.293 68.868 0.050 0.000 1.666 193 T HN 0.419 nan 8.240 nan 0.000 0.607 194 P HA 0.527 nan 4.420 nan 0.000 0.275 194 P C -0.333 176.995 177.300 0.047 0.000 1.227 194 P CA -0.266 62.861 63.100 0.044 0.000 0.781 194 P CB 1.672 33.524 31.700 0.252 0.000 0.906 195 S N 2.262 117.946 115.700 -0.027 0.000 2.547 195 S HA 0.614 5.084 4.470 0.000 0.000 0.281 195 S C -1.454 173.249 174.600 0.172 0.000 1.118 195 S CA -0.632 57.604 58.200 0.059 0.000 0.947 195 S CB 0.499 63.716 63.200 0.029 0.000 1.053 195 S HN 0.369 nan 8.310 nan 0.000 0.482 196 L N 6.231 127.596 121.223 0.237 0.000 2.406 196 L HA 0.779 5.119 4.340 0.000 0.000 0.272 196 L C -1.296 175.705 176.870 0.219 0.000 0.980 196 L CA -0.464 54.549 54.840 0.287 0.000 0.831 196 L CB 1.698 43.915 42.059 0.263 0.000 1.253 196 L HN 0.485 nan 8.230 nan 0.000 0.406 197 V N 3.280 123.331 119.914 0.229 0.000 2.628 197 V HA 0.697 4.817 4.120 0.000 0.000 0.306 197 V C -0.184 176.034 176.094 0.207 0.000 1.045 197 V CA -0.707 61.708 62.300 0.192 0.000 0.905 197 V CB 1.781 33.703 31.823 0.164 0.000 0.997 197 V HN 0.644 nan 8.190 nan 0.000 0.436 198 I N 3.934 124.611 120.570 0.179 0.000 2.534 198 I HA 0.504 4.674 4.170 0.000 0.000 0.288 198 I C -0.812 175.415 176.117 0.184 0.000 1.077 198 I CA -0.427 60.988 61.300 0.192 0.000 1.051 198 I CB 2.187 40.254 38.000 0.112 0.000 1.234 198 I HN 0.942 nan 8.210 nan 0.000 0.425 199 N N 3.123 121.951 118.700 0.213 0.000 2.815 199 N HA 0.292 5.032 4.740 0.000 0.000 0.315 199 N C 0.137 175.790 175.510 0.239 0.000 1.320 199 N CA -0.695 52.461 53.050 0.177 0.000 0.846 199 N CB 0.549 39.106 38.487 0.117 0.000 1.344 199 N HN 0.313 nan 8.380 nan 0.000 0.593 200 D N -0.638 119.864 120.400 0.171 0.000 2.354 200 D HA 0.005 4.645 4.640 0.000 0.000 0.216 200 D C 1.151 177.561 176.300 0.184 0.000 0.970 200 D CA 0.892 55.003 54.000 0.185 0.000 0.905 200 D CB 0.148 41.017 40.800 0.115 0.000 0.903 200 D HN 0.462 nan 8.370 nan 0.000 0.508 201 L N -0.871 120.348 121.223 -0.005 0.000 2.586 201 L HA 0.273 4.613 4.340 0.000 0.000 0.204 201 L C 1.184 177.457 176.870 -0.994 0.000 1.053 201 L CA 0.098 54.730 54.840 -0.347 0.000 0.856 201 L CB 0.231 42.158 42.059 -0.221 0.000 1.192 201 L HN -0.089 nan 8.230 nan 0.000 0.484 202 I N -3.449 116.775 120.570 -0.577 0.000 3.516 202 I HA 0.527 4.697 4.170 0.000 0.000 0.307 202 I C -1.295 174.888 176.117 0.110 0.000 1.157 202 I CA -1.033 60.004 61.300 -0.438 0.000 0.983 202 I CB 2.131 39.892 38.000 -0.398 0.000 1.351 202 I HN -0.010 nan 8.210 nan 0.000 0.484 203 Y N 0.429 120.752 120.300 0.039 0.000 2.588 203 Y HA 0.933 5.483 4.550 0.000 0.000 0.343 203 Y C -1.335 174.600 175.900 0.059 0.000 1.065 203 Y CA -1.075 57.066 58.100 0.069 0.000 1.038 203 Y CB 1.492 39.969 38.460 0.028 0.000 1.297 203 Y HN 0.898 nan 8.280 nan 0.000 0.467 204 A N 2.218 125.122 122.820 0.140 0.000 2.486 204 A HA 0.674 4.994 4.320 0.000 0.000 0.300 204 A C -2.608 175.174 177.584 0.331 0.000 1.048 204 A CA -0.706 51.368 52.037 0.062 0.000 0.696 204 A CB 1.347 20.389 19.000 0.069 0.000 1.278 204 A HN 1.024 nan 8.150 nan 0.000 0.405 205 Y N 0.850 121.250 120.300 0.168 0.000 2.406 205 Y HA 0.720 5.270 4.550 0.000 0.000 0.340 205 Y C -0.332 175.655 175.900 0.145 0.000 0.975 205 Y CA -0.235 57.979 58.100 0.191 0.000 1.056 205 Y CB 2.171 40.778 38.460 0.246 0.000 1.210 205 Y HN 0.771 nan 8.280 nan 0.000 0.448 206 T N 4.372 118.628 114.554 -0.497 0.000 2.900 206 T HA 0.775 5.125 4.350 0.000 0.000 0.295 206 T C -1.451 172.916 174.700 -0.556 0.000 1.044 206 T CA -0.275 61.590 62.100 -0.392 0.000 0.995 206 T CB 0.772 69.592 68.868 -0.080 0.000 1.072 206 T HN 0.896 nan 8.240 nan 0.000 0.473 207 S N 3.323 118.827 115.700 -0.327 0.000 2.570 207 S HA 0.540 5.010 4.470 0.000 0.000 0.270 207 S C -1.341 173.239 174.600 -0.034 0.000 1.149 207 S CA -1.051 57.038 58.200 -0.186 0.000 0.837 207 S CB 1.595 64.693 63.200 -0.170 0.000 1.124 207 S HN 0.735 nan 8.310 nan 0.000 0.465 208 N N 0.828 119.528 118.700 0.001 0.000 2.408 208 N HA 0.446 5.186 4.740 0.000 0.000 0.280 208 N C -1.668 173.880 175.510 0.064 0.000 1.002 208 N CA -0.505 52.571 53.050 0.043 0.000 0.907 208 N CB 1.146 39.650 38.487 0.028 0.000 1.161 208 N HN 0.640 nan 8.380 nan 0.000 0.488 209 L N 6.047 127.340 121.223 0.117 0.000 2.294 209 L HA 0.546 4.886 4.340 0.000 0.000 0.283 209 L C -1.109 175.866 176.870 0.176 0.000 1.015 209 L CA -0.415 54.508 54.840 0.140 0.000 0.831 209 L CB 0.729 42.874 42.059 0.144 0.000 1.217 209 L HN 0.440 nan 8.230 nan 0.000 0.420 210 I N 4.623 125.258 120.570 0.110 0.000 2.321 210 I HA 0.207 4.377 4.170 0.000 0.000 0.291 210 I C 1.473 177.650 176.117 0.099 0.000 0.998 210 I CA -0.187 61.165 61.300 0.087 0.000 1.227 210 I CB 1.797 39.824 38.000 0.045 0.000 1.368 210 I HN 0.800 nan 8.210 nan 0.000 0.466 211 T N 2.779 117.403 114.554 0.116 0.000 2.929 211 T HA -0.147 4.203 4.350 0.000 0.000 0.271 211 T C 0.912 175.653 174.700 0.068 0.000 1.085 211 T CA 0.885 63.052 62.100 0.112 0.000 1.125 211 T CB -0.033 68.906 68.868 0.119 0.000 0.874 211 T HN 0.614 nan 8.240 nan 0.000 0.494 212 R N 0.002 120.532 120.500 0.050 0.000 2.549 212 R HA 0.491 4.831 4.340 0.000 0.000 0.291 212 R C -0.087 176.231 176.300 0.030 0.000 1.164 212 R CA 0.271 56.393 56.100 0.037 0.000 0.973 212 R CB 0.847 31.165 30.300 0.030 0.000 1.210 212 R HN 0.507 nan 8.270 nan 0.000 0.422 213 G N 1.537 110.354 108.800 0.029 0.000 2.814 213 G HA2 -0.265 3.695 3.960 0.000 0.000 0.677 213 G HA3 -0.265 3.695 3.960 0.000 0.000 0.677 213 G C 0.287 175.199 174.900 0.019 0.000 1.429 213 G CA -0.310 44.804 45.100 0.023 0.000 0.868 213 G HN 0.700 nan 8.290 nan 0.000 0.553 214 c N 0.714 119.321 118.600 0.011 0.000 2.791 214 c HA 0.371 4.941 4.570 0.000 0.000 0.270 214 c C 1.018 175.106 174.090 -0.002 0.000 1.257 214 c CA 0.125 56.454 56.329 0.000 0.000 1.699 214 c CB -0.930 41.573 42.510 -0.012 0.000 1.904 214 c HN 0.634 nan 8.230 nan 0.000 0.603 215 Q N 1.231 121.035 119.800 0.006 0.000 2.235 215 Q HA 0.336 4.676 4.340 0.000 0.000 0.256 215 Q C -0.231 175.773 176.000 0.008 0.000 0.951 215 Q CA -0.138 55.669 55.803 0.007 0.000 0.890 215 Q CB 0.525 29.270 28.738 0.012 0.000 1.279 215 Q HN 0.203 nan 8.270 nan 0.000 0.444 216 D N 1.942 122.347 120.400 0.008 0.000 2.531 216 D HA -0.069 4.571 4.640 0.000 0.000 0.239 216 D C 0.135 176.439 176.300 0.007 0.000 1.144 216 D CA 0.450 54.455 54.000 0.009 0.000 0.869 216 D CB 0.443 41.251 40.800 0.013 0.000 1.160 216 D HN 0.649 nan 8.370 nan 0.000 0.484 217 I N 0.655 121.227 120.570 0.003 0.000 3.833 217 I HA 0.419 4.589 4.170 0.000 0.000 0.328 217 I C 1.062 177.175 176.117 -0.007 0.000 1.554 217 I CA -0.233 61.067 61.300 -0.000 0.000 1.116 217 I CB 0.154 38.154 38.000 0.001 0.000 1.182 217 I HN 0.521 nan 8.210 nan 0.000 0.459 218 G N 1.772 110.568 108.800 -0.006 0.000 2.179 218 G HA2 -0.264 3.696 3.960 0.000 0.000 0.260 218 G HA3 -0.264 3.696 3.960 0.000 0.000 0.260 218 G C 0.072 174.955 174.900 -0.028 0.000 0.977 218 G CA 0.326 45.419 45.100 -0.012 0.000 0.641 218 G HN 0.539 nan 8.290 nan 0.000 0.533 219 K N -0.203 120.173 120.400 -0.039 0.000 2.502 219 K HA 0.683 5.003 4.320 0.000 0.000 0.257 219 K C -0.573 175.976 176.600 -0.085 0.000 0.938 219 K CA -0.029 56.210 56.287 -0.080 0.000 0.819 219 K CB 2.522 34.963 32.500 -0.098 0.000 1.333 219 K HN 0.894 nan 8.250 nan 0.000 0.434 220 S N 0.379 115.994 115.700 -0.141 0.000 2.680 220 S HA 0.329 4.799 4.470 0.000 0.000 0.284 220 S C -1.752 172.778 174.600 -0.117 0.000 1.055 220 S CA -1.039 57.105 58.200 -0.093 0.000 0.849 220 S CB 0.099 63.300 63.200 0.003 0.000 1.068 220 S HN 0.439 nan 8.310 nan 0.000 0.453 221 Y N 0.766 121.086 120.300 0.033 0.000 2.352 221 Y HA 0.719 5.269 4.550 0.000 0.000 0.326 221 Y C 0.496 176.435 175.900 0.064 0.000 1.166 221 Y CA -0.383 57.745 58.100 0.047 0.000 1.182 221 Y CB 1.325 39.800 38.460 0.024 0.000 1.216 221 Y HN 0.780 nan 8.280 nan 0.000 0.474 222 Q N 1.714 121.690 119.800 0.293 0.000 2.341 222 Q HA 0.544 4.884 4.340 0.000 0.000 0.268 222 Q C -1.854 174.318 176.000 0.286 0.000 1.013 222 Q CA -0.579 55.370 55.803 0.244 0.000 0.798 222 Q CB 1.505 30.379 28.738 0.227 0.000 1.253 222 Q HN 0.550 nan 8.270 nan 0.000 0.457 223 V N 5.237 125.246 119.914 0.157 0.000 2.347 223 V HA 0.411 4.531 4.120 0.000 0.000 0.280 223 V C -0.767 175.387 176.094 0.101 0.000 1.021 223 V CA -0.848 61.510 62.300 0.096 0.000 0.847 223 V CB 1.299 33.142 31.823 0.035 0.000 0.990 223 V HN 0.704 nan 8.190 nan 0.000 0.444 224 L N 5.224 126.532 121.223 0.142 0.000 2.272 224 L HA 0.526 4.866 4.340 0.000 0.000 0.289 224 L C -0.212 176.727 176.870 0.115 0.000 1.032 224 L CA 0.343 55.280 54.840 0.161 0.000 0.810 224 L CB 1.388 43.625 42.059 0.297 0.000 1.205 224 L HN 0.758 nan 8.230 nan 0.000 0.422 225 Q N 5.005 124.887 119.800 0.137 0.000 2.322 225 Q HA 0.623 4.963 4.340 0.000 0.000 0.265 225 Q C -1.495 174.516 176.000 0.019 0.000 0.985 225 Q CA -0.483 55.401 55.803 0.135 0.000 0.849 225 Q CB 1.489 30.403 28.738 0.294 0.000 1.274 225 Q HN 0.705 nan 8.270 nan 0.000 0.449 226 I N 2.634 123.158 120.570 -0.077 0.000 2.509 226 I HA 0.751 4.921 4.170 0.000 0.000 0.293 226 I C 0.257 176.178 176.117 -0.328 0.000 1.020 226 I CA -0.635 60.527 61.300 -0.230 0.000 1.088 226 I CB 2.207 40.193 38.000 -0.024 0.000 1.267 226 I HN 0.776 nan 8.210 nan 0.000 0.430 227 G N 5.762 114.115 108.800 -0.744 0.000 2.664 227 G HA2 0.684 4.644 3.960 0.000 0.000 0.303 227 G HA3 0.684 4.644 3.960 0.000 0.000 0.303 227 G C -1.456 173.300 174.900 -0.241 0.000 1.243 227 G CA -0.569 44.291 45.100 -0.400 0.000 0.826 227 G HN 0.683 nan 8.290 nan 0.000 0.498 228 I N -2.272 118.406 120.570 0.180 0.000 3.042 228 I HA 0.748 4.918 4.170 0.000 0.000 0.310 228 I C -1.253 175.113 176.117 0.414 0.000 1.117 228 I CA -1.472 60.009 61.300 0.301 0.000 1.003 228 I CB 2.407 40.459 38.000 0.087 0.000 1.228 228 I HN 0.392 nan 8.210 nan 0.000 0.443 229 I N 2.897 123.736 120.570 0.448 0.000 2.321 229 I HA 0.399 4.569 4.170 0.000 0.000 0.291 229 I C 0.108 176.252 176.117 0.046 0.000 0.998 229 I CA -0.079 61.259 61.300 0.064 0.000 1.227 229 I CB 1.757 39.636 38.000 -0.202 0.000 1.368 229 I HN 0.789 nan 8.210 nan 0.000 0.466 230 T N 2.393 116.946 114.554 -0.001 0.000 2.887 230 T HA 0.575 4.925 4.350 0.000 0.000 0.292 230 T C -0.413 174.240 174.700 -0.079 0.000 1.087 230 T CA -0.823 61.265 62.100 -0.020 0.000 1.009 230 T CB 1.672 70.554 68.868 0.023 0.000 1.203 230 T HN 0.090 nan 8.240 nan 0.000 0.518 231 V N 3.572 123.439 119.914 -0.078 0.000 2.508 231 V HA 0.297 4.417 4.120 0.000 0.000 0.281 231 V C 0.667 176.735 176.094 -0.043 0.000 1.041 231 V CA -0.687 61.558 62.300 -0.092 0.000 1.016 231 V CB -0.248 31.556 31.823 -0.032 0.000 0.984 231 V HN 1.035 nan 8.190 nan 0.000 0.478 232 N N 3.379 122.047 118.700 -0.052 0.000 2.495 232 N HA 0.139 4.879 4.740 0.000 0.000 0.294 232 N C 1.354 176.857 175.510 -0.013 0.000 1.276 232 N CA -0.120 52.915 53.050 -0.026 0.000 0.973 232 N CB 0.057 38.526 38.487 -0.029 0.000 1.143 232 N HN 0.492 nan 8.380 nan 0.000 0.589 233 S N -2.230 113.466 115.700 -0.006 0.000 2.469 233 S HA -0.120 4.350 4.470 0.000 0.000 0.238 233 S C 0.340 174.941 174.600 0.002 0.000 0.998 233 S CA 0.874 59.075 58.200 0.001 0.000 0.957 233 S CB -0.478 62.723 63.200 0.002 0.000 0.764 233 S HN 0.552 nan 8.310 nan 0.000 0.514 234 D N 1.167 121.564 120.400 -0.005 0.000 2.328 234 D HA 0.282 4.922 4.640 0.000 0.000 0.221 234 D C 0.636 176.937 176.300 0.001 0.000 1.072 234 D CA 0.075 54.075 54.000 -0.001 0.000 0.850 234 D CB 0.093 40.891 40.800 -0.004 0.000 0.922 234 D HN 0.397 nan 8.370 nan 0.000 0.516 235 L N -0.127 121.095 121.223 -0.001 0.000 4.040 235 L HA -0.196 4.144 4.340 0.000 0.000 0.410 235 L C -0.198 176.666 176.870 -0.011 0.000 1.187 235 L CA 0.086 54.934 54.840 0.014 0.000 0.956 235 L CB -1.734 40.349 42.059 0.040 0.000 2.022 235 L HN -0.028 nan 8.230 nan 0.000 0.897 236 V N -0.872 118.989 119.914 -0.088 0.000 2.914 236 V HA 0.652 4.772 4.120 0.000 0.000 0.314 236 V C -1.963 173.935 176.094 -0.327 0.000 1.084 236 V CA -1.840 60.320 62.300 -0.233 0.000 0.963 236 V CB 2.661 34.361 31.823 -0.205 0.000 1.025 236 V HN -0.152 nan 8.190 nan 0.000 0.432 237 P HA 0.279 nan 4.420 nan 0.000 0.266 237 P C -1.438 175.776 177.300 -0.144 0.000 1.195 237 P CA 0.316 63.176 63.100 -0.400 0.000 0.768 237 P CB 0.380 31.769 31.700 -0.519 0.000 0.838 238 D N 1.159 121.557 120.400 -0.004 0.000 2.609 238 D HA 0.317 4.957 4.640 0.000 0.000 0.239 238 D C -0.940 175.324 176.300 -0.061 0.000 1.229 238 D CA -0.544 53.510 54.000 0.090 0.000 0.808 238 D CB 1.381 42.184 40.800 0.005 0.000 1.448 238 D HN 0.086 nan 8.370 nan 0.000 0.433 239 L N 2.015 123.105 121.223 -0.221 0.000 2.416 239 L HA 0.309 4.649 4.340 0.000 0.000 0.272 239 L C 0.711 177.531 176.870 -0.083 0.000 1.161 239 L CA 0.012 54.600 54.840 -0.420 0.000 0.845 239 L CB 0.421 42.044 42.059 -0.727 0.000 1.119 239 L HN 0.281 nan 8.230 nan 0.000 0.464 240 N N 4.254 123.023 118.700 0.115 0.000 2.746 240 N HA 0.320 5.060 4.740 0.000 0.000 0.250 240 N C -2.636 173.009 175.510 0.226 0.000 1.146 240 N CA -1.567 51.568 53.050 0.142 0.000 0.828 240 N CB 1.403 39.954 38.487 0.106 0.000 1.158 240 N HN 0.261 nan 8.380 nan 0.000 0.519 241 P HA 0.059 nan 4.420 nan 0.000 0.264 241 P C 0.036 177.386 177.300 0.084 0.000 1.193 241 P CA 0.042 63.231 63.100 0.149 0.000 0.763 241 P CB 0.966 32.742 31.700 0.125 0.000 0.810 242 R N 2.900 123.437 120.500 0.062 0.000 2.191 242 R HA 0.370 4.710 4.340 0.000 0.000 0.196 242 R C 0.688 176.992 176.300 0.008 0.000 0.991 242 R CA 0.675 56.810 56.100 0.059 0.000 1.075 242 R CB -0.013 30.378 30.300 0.152 0.000 1.040 242 R HN 0.532 nan 8.270 nan 0.000 0.526 243 I N -3.585 116.991 120.570 0.009 0.000 3.102 243 I HA 0.598 4.768 4.170 0.000 0.000 0.310 243 I C -1.133 174.991 176.117 0.012 0.000 1.246 243 I CA -1.011 60.283 61.300 -0.011 0.000 0.979 243 I CB 2.752 40.726 38.000 -0.044 0.000 1.267 243 I HN -0.266 nan 8.210 nan 0.000 0.451 244 S N 0.559 116.264 115.700 0.009 0.000 2.546 244 S HA 0.541 5.011 4.470 0.000 0.000 0.272 244 S C -1.442 173.163 174.600 0.008 0.000 1.140 244 S CA -0.498 57.713 58.200 0.019 0.000 0.920 244 S CB 1.411 64.618 63.200 0.012 0.000 1.083 244 S HN 0.828 nan 8.310 nan 0.000 0.476 245 H N 0.803 119.792 119.070 -0.135 0.000 2.600 245 H HA 0.640 5.196 4.556 0.000 0.000 0.357 245 H C -0.918 174.213 175.328 -0.328 0.000 1.106 245 H CA -0.104 55.781 56.048 -0.271 0.000 1.193 245 H CB 1.316 30.836 29.762 -0.404 0.000 1.594 245 H HN 0.487 nan 8.280 nan 0.000 0.526 246 T N 5.667 119.720 114.554 -0.836 0.000 2.771 246 T HA 0.308 4.658 4.350 0.000 0.000 0.281 246 T C -0.544 173.795 174.700 -0.601 0.000 0.982 246 T CA -0.410 61.407 62.100 -0.472 0.000 0.978 246 T CB 0.075 68.785 68.868 -0.264 0.000 0.930 246 T HN 0.292 nan 8.240 nan 0.000 0.447 247 F N 2.284 122.215 119.950 -0.033 0.000 2.385 247 F HA 0.323 4.850 4.527 0.000 0.000 0.336 247 F C 1.179 177.013 175.800 0.057 0.000 1.100 247 F CA -1.052 56.973 58.000 0.041 0.000 1.116 247 F CB 0.664 39.721 39.000 0.095 0.000 1.166 247 F HN 0.466 nan 8.300 nan 0.000 0.511 248 N N 3.245 122.077 118.700 0.220 0.000 2.142 248 N HA -0.188 4.552 4.740 0.000 0.000 0.282 248 N C 1.054 176.563 175.510 -0.001 0.000 1.342 248 N CA 0.396 53.504 53.050 0.097 0.000 0.831 248 N CB 0.225 38.763 38.487 0.085 0.000 1.083 248 N HN 0.765 nan 8.380 nan 0.000 0.492 249 I N 3.043 123.501 120.570 -0.187 0.000 2.700 249 I HA -0.269 3.901 4.170 0.000 0.000 0.261 249 I C 0.972 176.956 176.117 -0.221 0.000 1.219 249 I CA 1.294 62.334 61.300 -0.434 0.000 1.463 249 I CB -0.114 37.289 38.000 -0.995 0.000 1.092 249 I HN 0.671 nan 8.210 nan 0.000 0.452 250 N N 0.339 118.966 118.700 -0.122 0.000 2.376 250 N HA -0.127 4.613 4.740 0.000 0.000 0.177 250 N C 1.155 176.640 175.510 -0.042 0.000 1.024 250 N CA 0.693 53.699 53.050 -0.074 0.000 0.893 250 N CB 0.110 38.569 38.487 -0.047 0.000 0.980 250 N HN 0.308 nan 8.380 nan 0.000 0.439 251 D N 0.885 121.272 120.400 -0.022 0.000 2.219 251 D HA -0.124 4.516 4.640 0.000 0.000 0.205 251 D C 0.186 176.478 176.300 -0.014 0.000 0.970 251 D CA 0.773 54.769 54.000 -0.007 0.000 0.851 251 D CB -0.351 40.457 40.800 0.014 0.000 0.943 251 D HN 0.140 nan 8.370 nan 0.000 0.488 252 N N 1.049 119.735 118.700 -0.024 0.000 2.696 252 N HA -0.214 4.526 4.740 0.000 0.000 0.256 252 N C -0.946 174.564 175.510 0.001 0.000 1.031 252 N CA 0.243 53.281 53.050 -0.019 0.000 0.730 252 N CB -0.884 37.592 38.487 -0.019 0.000 0.894 252 N HN 0.175 nan 8.380 nan 0.000 0.544 253 R N 0.875 121.375 120.500 -0.000 0.000 2.643 253 R HA 0.321 4.661 4.340 0.000 0.000 0.270 253 R C 0.237 176.548 176.300 0.018 0.000 1.061 253 R CA 0.000 56.096 56.100 -0.007 0.000 1.107 253 R CB 0.661 30.929 30.300 -0.053 0.000 0.999 253 R HN 0.193 nan 8.270 nan 0.000 0.460 254 K N 0.052 120.475 120.400 0.038 0.000 2.495 254 K HA 0.175 4.495 4.320 0.000 0.000 0.268 254 K C -0.055 176.594 176.600 0.082 0.000 1.008 254 K CA -0.906 55.415 56.287 0.057 0.000 0.882 254 K CB 1.931 34.474 32.500 0.071 0.000 1.443 254 K HN 0.549 nan 8.250 nan 0.000 0.447 255 S N 0.080 115.829 115.700 0.081 0.000 3.477 255 S HA -0.189 4.281 4.470 0.000 0.000 0.357 255 S C 0.261 174.923 174.600 0.102 0.000 1.083 255 S CA 0.493 58.766 58.200 0.122 0.000 1.042 255 S CB -1.568 61.745 63.200 0.188 0.000 0.911 255 S HN 0.538 nan 8.310 nan 0.000 0.490 256 c N 1.438 120.065 118.600 0.046 0.000 2.700 256 c HA 0.601 5.171 4.570 0.000 0.000 0.397 256 c C 1.165 175.279 174.090 0.040 0.000 1.301 256 c CA -0.515 55.819 56.329 0.008 0.000 2.219 256 c CB 0.971 43.467 42.510 -0.024 0.000 2.699 256 c HN 0.637 nan 8.230 nan 0.000 0.669 257 S N 0.363 116.088 115.700 0.041 0.000 2.599 257 S HA 0.787 5.257 4.470 0.000 0.000 0.287 257 S C -0.983 173.794 174.600 0.295 0.000 1.105 257 S CA -0.493 57.808 58.200 0.167 0.000 0.899 257 S CB 1.059 64.408 63.200 0.249 0.000 1.100 257 S HN 0.551 nan 8.310 nan 0.000 0.482 258 L N 1.378 122.805 121.223 0.342 0.000 2.341 258 L HA 0.965 5.305 4.340 0.000 0.000 0.267 258 L C -0.406 176.624 176.870 0.267 0.000 1.009 258 L CA -0.789 54.255 54.840 0.340 0.000 0.819 258 L CB 1.901 44.085 42.059 0.208 0.000 1.323 258 L HN 0.764 nan 8.230 nan 0.000 0.425 259 A N 2.401 125.325 122.820 0.173 0.000 2.574 259 A HA 0.832 5.152 4.320 0.000 0.000 0.297 259 A C -1.540 176.050 177.584 0.009 0.000 1.062 259 A CA -0.448 51.547 52.037 -0.069 0.000 0.686 259 A CB 1.549 20.230 19.000 -0.531 0.000 1.285 259 A HN 0.574 nan 8.150 nan 0.000 0.403 260 L N 1.733 122.933 121.223 -0.037 0.000 2.346 260 L HA 0.609 4.949 4.340 0.000 0.000 0.274 260 L C -0.915 175.839 176.870 -0.192 0.000 1.007 260 L CA -0.916 53.905 54.840 -0.032 0.000 0.818 260 L CB 1.935 44.002 42.059 0.013 0.000 1.284 260 L HN 0.573 nan 8.230 nan 0.000 0.424 261 L N 3.915 124.995 121.223 -0.238 0.000 2.408 261 L HA 0.463 4.803 4.340 0.000 0.000 0.257 261 L C 0.165 176.889 176.870 -0.244 0.000 1.053 261 L CA 0.109 54.628 54.840 -0.534 0.000 0.922 261 L CB -0.663 41.026 42.059 -0.617 0.000 1.261 261 L HN 0.877 nan 8.230 nan 0.000 0.458 262 N N 1.504 120.112 118.700 -0.152 0.000 2.453 262 N HA -0.335 4.405 4.740 0.000 0.000 0.177 262 N C 0.446 175.903 175.510 -0.087 0.000 0.529 262 N CA 2.256 55.265 53.050 -0.068 0.000 1.553 262 N CB -0.895 37.563 38.487 -0.049 0.000 1.408 262 N HN 0.673 nan 8.380 nan 0.000 0.400 263 T N -1.966 112.539 114.554 -0.081 0.000 3.092 263 T HA 0.253 4.603 4.350 0.000 0.000 0.258 263 T C -0.591 174.096 174.700 -0.023 0.000 1.031 263 T CA -0.139 61.893 62.100 -0.114 0.000 0.925 263 T CB 0.158 68.944 68.868 -0.136 0.000 1.036 263 T HN 0.203 nan 8.240 nan 0.000 0.544 264 D N 1.695 122.105 120.400 0.017 0.000 2.210 264 D HA 0.446 5.086 4.640 0.000 0.000 0.249 264 D C -0.561 175.828 176.300 0.147 0.000 1.062 264 D CA -0.300 53.757 54.000 0.094 0.000 0.891 264 D CB 2.368 43.277 40.800 0.180 0.000 1.186 264 D HN 0.061 nan 8.370 nan 0.000 0.432 265 V N 3.080 123.078 119.914 0.139 0.000 2.370 265 V HA 0.178 4.298 4.120 0.000 0.000 0.283 265 V C -0.772 175.445 176.094 0.205 0.000 1.023 265 V CA -0.704 61.702 62.300 0.177 0.000 0.857 265 V CB 0.659 32.553 31.823 0.119 0.000 0.985 265 V HN 0.366 nan 8.190 nan 0.000 0.443 266 Y N 3.394 123.746 120.300 0.086 0.000 2.353 266 Y HA 0.484 5.034 4.550 0.000 0.000 0.340 266 Y C 0.359 176.426 175.900 0.278 0.000 0.972 266 Y CA -0.443 57.761 58.100 0.174 0.000 1.157 266 Y CB 1.485 40.053 38.460 0.180 0.000 1.157 266 Y HN 0.596 nan 8.280 nan 0.000 0.495 267 Q N 4.114 124.052 119.800 0.230 0.000 2.348 267 Q HA 0.474 4.814 4.340 0.000 0.000 0.265 267 Q C -1.875 174.080 176.000 -0.076 0.000 0.998 267 Q CA -1.019 54.849 55.803 0.108 0.000 0.831 267 Q CB 1.100 29.828 28.738 -0.017 0.000 1.251 267 Q HN 0.690 nan 8.270 nan 0.000 0.456 268 L N 4.767 125.816 121.223 -0.289 0.000 2.272 268 L HA 0.514 4.854 4.340 0.000 0.000 0.289 268 L C -1.410 175.265 176.870 -0.325 0.000 1.032 268 L CA 0.041 54.541 54.840 -0.567 0.000 0.810 268 L CB 0.953 42.153 42.059 -1.432 0.000 1.205 268 L HN 0.827 nan 8.230 nan 0.000 0.422 269 c N 1.873 120.336 118.600 -0.229 0.000 2.971 269 c HA 0.777 5.347 4.570 0.000 0.000 0.310 269 c C 0.027 174.066 174.090 -0.084 0.000 1.285 269 c CA -0.833 55.419 56.329 -0.129 0.000 1.593 269 c CB 2.078 44.513 42.510 -0.124 0.000 2.076 269 c HN 0.786 nan 8.230 nan 0.000 0.472 270 S N 0.185 115.884 115.700 -0.003 0.000 2.501 270 S HA 0.718 5.188 4.470 0.000 0.000 0.301 270 S C -0.115 174.510 174.600 0.042 0.000 1.096 270 S CA -0.169 58.047 58.200 0.026 0.000 1.063 270 S CB 0.832 64.141 63.200 0.182 0.000 1.042 270 S HN 0.946 nan 8.310 nan 0.000 0.494 271 T N 2.333 116.898 114.554 0.018 0.000 3.427 271 T HA 0.452 4.802 4.350 0.000 0.000 0.306 271 T C -2.702 172.018 174.700 0.032 0.000 1.733 271 T CA -1.576 60.537 62.100 0.021 0.000 1.599 271 T CB 0.405 69.272 68.868 -0.002 0.000 0.964 271 T HN 0.469 nan 8.240 nan 0.000 0.701 272 P HA 0.202 nan 4.420 nan 0.000 0.267 272 P C 0.023 177.352 177.300 0.050 0.000 1.205 272 P CA -0.192 62.960 63.100 0.088 0.000 0.765 272 P CB 1.165 32.986 31.700 0.202 0.000 0.828 273 K N 1.212 121.629 120.400 0.029 0.000 2.358 273 K HA 0.195 4.515 4.320 0.000 0.000 0.197 273 K C 0.653 177.263 176.600 0.016 0.000 1.025 273 K CA 0.025 56.320 56.287 0.014 0.000 1.104 273 K CB 0.467 32.967 32.500 0.000 0.000 0.855 273 K HN 0.447 nan 8.250 nan 0.000 0.531 274 V N -1.505 118.427 119.914 0.031 0.000 3.181 274 V HA 0.370 4.490 4.120 0.000 0.000 0.308 274 V C -1.501 174.625 176.094 0.053 0.000 1.214 274 V CA -1.403 60.914 62.300 0.027 0.000 1.053 274 V CB 1.794 33.627 31.823 0.017 0.000 1.069 274 V HN 0.181 nan 8.190 nan 0.000 0.441 275 D N -0.352 120.069 120.400 0.036 0.000 2.354 275 D HA 0.249 4.889 4.640 0.000 0.000 0.247 275 D C 1.004 177.353 176.300 0.081 0.000 1.138 275 D CA 0.156 54.182 54.000 0.043 0.000 0.958 275 D CB 1.184 41.983 40.800 -0.001 0.000 1.144 275 D HN 0.895 nan 8.370 nan 0.000 0.458 276 E N 0.452 120.713 120.200 0.102 0.000 2.055 276 E HA -0.385 3.965 4.350 0.000 0.000 0.209 276 E C 1.805 178.520 176.600 0.192 0.000 1.036 276 E CA 1.534 58.056 56.400 0.204 0.000 0.849 276 E CB 0.045 29.831 29.700 0.143 0.000 0.767 276 E HN 0.458 nan 8.360 nan 0.000 0.461 277 R N -0.175 120.256 120.500 -0.116 0.000 2.189 277 R HA -0.046 4.294 4.340 0.000 0.000 0.223 277 R C 2.597 178.811 176.300 -0.143 0.000 1.092 277 R CA 0.976 56.872 56.100 -0.340 0.000 0.989 277 R CB -0.207 29.637 30.300 -0.759 0.000 0.876 277 R HN 0.116 nan 8.270 nan 0.000 0.457 278 S N 0.583 116.243 115.700 -0.065 0.000 2.414 278 S HA -0.132 4.338 4.470 0.000 0.000 0.227 278 S C 1.435 176.052 174.600 0.030 0.000 1.022 278 S CA 1.218 59.398 58.200 -0.035 0.000 0.958 278 S CB -0.033 63.149 63.200 -0.031 0.000 0.797 278 S HN 0.263 nan 8.310 nan 0.000 0.493 279 D N -0.458 120.004 120.400 0.103 0.000 2.149 279 D HA -0.078 4.562 4.640 0.000 0.000 0.201 279 D C 1.408 177.753 176.300 0.075 0.000 0.972 279 D CA 1.143 55.202 54.000 0.097 0.000 0.835 279 D CB -0.199 40.707 40.800 0.176 0.000 0.966 279 D HN 0.459 nan 8.370 nan 0.000 0.476 280 Y N 0.285 120.617 120.300 0.055 0.000 2.421 280 Y HA 0.087 4.637 4.550 0.000 0.000 0.292 280 Y C 2.316 178.222 175.900 0.010 0.000 1.136 280 Y CA 0.964 59.109 58.100 0.075 0.000 1.255 280 Y CB -0.392 38.187 38.460 0.198 0.000 0.991 280 Y HN 0.046 nan 8.280 nan 0.000 0.552 281 A N -0.576 122.310 122.820 0.111 0.000 2.014 281 A HA -0.016 4.304 4.320 0.000 0.000 0.218 281 A C 1.339 178.922 177.584 -0.002 0.000 1.163 281 A CA 0.894 52.952 52.037 0.036 0.000 0.652 281 A CB -0.629 18.369 19.000 -0.004 0.000 0.808 281 A HN 0.280 nan 8.150 nan 0.000 0.449 282 S N 0.010 115.698 115.700 -0.020 0.000 2.451 282 S HA 0.614 5.084 4.470 0.000 0.000 0.301 282 S C -3.060 171.490 174.600 -0.084 0.000 1.116 282 S CA -1.732 56.440 58.200 -0.047 0.000 1.093 282 S CB 1.453 64.627 63.200 -0.044 0.000 1.017 282 S HN 0.006 nan 8.310 nan 0.000 0.482 283 P HA 0.467 nan 4.420 nan 0.000 0.269 283 P C 0.556 177.764 177.300 -0.153 0.000 1.215 283 P CA 1.163 64.181 63.100 -0.136 0.000 0.780 283 P CB 0.192 31.822 31.700 -0.117 0.000 0.898 284 G N 1.141 109.815 108.800 -0.210 0.000 2.690 284 G HA2 -0.030 3.930 3.960 0.000 0.000 0.686 284 G HA3 -0.030 3.930 3.960 0.000 0.000 0.686 284 G C -0.735 174.039 174.900 -0.211 0.000 1.277 284 G CA -0.339 44.627 45.100 -0.222 0.000 0.799 284 G HN 0.698 nan 8.290 nan 0.000 0.613 285 I N -2.254 118.192 120.570 -0.208 0.000 2.750 285 I HA 0.849 5.019 4.170 0.000 0.000 0.308 285 I C 0.192 176.215 176.117 -0.157 0.000 1.016 285 I CA -1.274 59.905 61.300 -0.202 0.000 1.098 285 I CB 1.808 39.697 38.000 -0.184 0.000 1.279 285 I HN 0.484 nan 8.210 nan 0.000 0.454 286 E N 2.494 122.577 120.200 -0.195 0.000 2.390 286 E HA 0.110 4.460 4.350 0.000 0.000 0.261 286 E C -0.744 175.792 176.600 -0.106 0.000 1.076 286 E CA -0.138 56.185 56.400 -0.128 0.000 0.905 286 E CB 0.478 30.109 29.700 -0.115 0.000 0.984 286 E HN 0.567 nan 8.360 nan 0.000 0.427 287 D N 0.651 121.019 120.400 -0.053 0.000 2.383 287 D HA 0.063 4.703 4.640 0.000 0.000 0.233 287 D C -0.048 176.231 176.300 -0.034 0.000 1.233 287 D CA 0.718 54.706 54.000 -0.020 0.000 0.881 287 D CB 0.401 41.197 40.800 -0.007 0.000 1.212 287 D HN 0.226 nan 8.370 nan 0.000 0.467 288 I N 0.390 120.968 120.570 0.013 0.000 2.619 288 I HA 0.269 4.439 4.170 0.000 0.000 0.292 288 I C -0.911 175.248 176.117 0.071 0.000 1.100 288 I CA -0.858 60.430 61.300 -0.021 0.000 1.043 288 I CB 2.106 40.044 38.000 -0.102 0.000 1.239 288 I HN -0.034 nan 8.210 nan 0.000 0.420 289 V N 6.082 125.996 119.914 -0.000 0.000 2.628 289 V HA 0.493 4.613 4.120 0.000 0.000 0.306 289 V C -0.847 175.228 176.094 -0.032 0.000 1.045 289 V CA -0.750 61.570 62.300 0.034 0.000 0.905 289 V CB 2.412 34.211 31.823 -0.039 0.000 0.997 289 V HN 0.412 nan 8.190 nan 0.000 0.436 290 L N 3.953 125.208 121.223 0.054 0.000 2.343 290 L HA 0.650 4.990 4.340 0.000 0.000 0.278 290 L C -0.802 176.049 176.870 -0.031 0.000 0.996 290 L CA 0.031 54.869 54.840 -0.003 0.000 0.831 290 L CB 1.495 43.609 42.059 0.092 0.000 1.232 290 L HN 0.594 nan 8.230 nan 0.000 0.413 291 D N 6.363 126.697 120.400 -0.111 0.000 2.168 291 D HA 0.465 5.105 4.640 0.000 0.000 0.246 291 D C -0.445 175.772 176.300 -0.139 0.000 1.050 291 D CA 0.067 53.998 54.000 -0.116 0.000 0.857 291 D CB 2.452 43.112 40.800 -0.234 0.000 1.169 291 D HN 0.451 nan 8.370 nan 0.000 0.453 292 I N 2.018 122.483 120.570 -0.175 0.000 2.448 292 I HA 0.180 4.350 4.170 0.000 0.000 0.281 292 I C -0.475 175.546 176.117 -0.161 0.000 1.027 292 I CA -0.801 60.287 61.300 -0.353 0.000 1.111 292 I CB 1.869 39.527 38.000 -0.570 0.000 1.236 292 I HN -0.084 nan 8.210 nan 0.000 0.452 293 V N 5.899 125.764 119.914 -0.081 0.000 2.483 293 V HA 0.359 4.479 4.120 0.000 0.000 0.295 293 V C -0.009 176.081 176.094 -0.008 0.000 1.035 293 V CA -0.668 61.616 62.300 -0.027 0.000 0.896 293 V CB 1.775 33.615 31.823 0.030 0.000 0.986 293 V HN 0.690 nan 8.190 nan 0.000 0.447 294 N N 2.213 120.908 118.700 -0.008 0.000 2.430 294 N HA 0.259 4.999 4.740 0.000 0.000 0.292 294 N C 0.294 175.849 175.510 0.075 0.000 1.051 294 N CA -0.740 52.330 53.050 0.035 0.000 0.917 294 N CB 1.331 39.825 38.487 0.012 0.000 1.164 294 N HN 0.725 nan 8.380 nan 0.000 0.484 295 Y N 2.507 122.783 120.300 -0.041 0.000 2.264 295 Y HA -0.315 4.235 4.550 0.000 0.000 0.282 295 Y C 1.955 177.827 175.900 -0.047 0.000 1.204 295 Y CA 1.822 59.893 58.100 -0.049 0.000 1.228 295 Y CB -0.312 38.118 38.460 -0.050 0.000 0.971 295 Y HN 0.657 nan 8.280 nan 0.000 0.538 296 D N -2.100 118.259 120.400 -0.068 0.000 2.310 296 D HA -0.012 4.628 4.640 0.000 0.000 0.212 296 D C 1.894 178.107 176.300 -0.146 0.000 0.965 296 D CA 1.273 55.184 54.000 -0.148 0.000 0.879 296 D CB -0.497 40.260 40.800 -0.072 0.000 0.921 296 D HN 0.466 nan 8.370 nan 0.000 0.510 297 G N 0.292 109.023 108.800 -0.114 0.000 2.179 297 G HA2 -0.240 3.720 3.960 0.000 0.000 0.220 297 G HA3 -0.240 3.720 3.960 0.000 0.000 0.220 297 G C 0.268 175.089 174.900 -0.132 0.000 0.990 297 G CA 0.305 45.333 45.100 -0.120 0.000 0.646 297 G HN 0.776 nan 8.290 nan 0.000 0.517 298 S N 0.112 115.750 115.700 -0.103 0.000 2.562 298 S HA 0.817 5.287 4.470 0.000 0.000 0.275 298 S C 0.059 174.592 174.600 -0.112 0.000 1.281 298 S CA -0.580 57.559 58.200 -0.101 0.000 1.045 298 S CB 1.983 65.144 63.200 -0.065 0.000 0.962 298 S HN 0.612 nan 8.310 nan 0.000 0.503 299 I N 1.633 122.129 120.570 -0.124 0.000 2.785 299 I HA 0.545 4.715 4.170 0.000 0.000 0.302 299 I C -0.247 175.842 176.117 -0.047 0.000 1.069 299 I CA -0.760 60.483 61.300 -0.094 0.000 1.045 299 I CB 2.403 40.322 38.000 -0.135 0.000 1.236 299 I HN 0.738 nan 8.210 nan 0.000 0.429 300 S N 2.843 118.521 115.700 -0.036 0.000 2.659 300 S HA 0.537 5.007 4.470 0.000 0.000 0.312 300 S C -0.760 173.831 174.600 -0.015 0.000 1.114 300 S CA -0.352 57.831 58.200 -0.029 0.000 1.063 300 S CB 1.082 64.252 63.200 -0.049 0.000 0.996 300 S HN 0.594 nan 8.310 nan 0.000 0.478 301 T N 4.388 118.947 114.554 0.007 0.000 2.794 301 T HA 0.580 4.930 4.350 0.000 0.000 0.280 301 T C -0.631 174.062 174.700 -0.011 0.000 0.987 301 T CA -0.413 61.691 62.100 0.007 0.000 0.993 301 T CB 1.509 70.399 68.868 0.037 0.000 0.939 301 T HN 0.604 nan 8.240 nan 0.000 0.449 302 T N 3.359 117.915 114.554 0.003 0.000 2.840 302 T HA 0.433 4.784 4.350 0.000 0.000 0.287 302 T C -0.224 174.437 174.700 -0.065 0.000 0.991 302 T CA -0.736 61.328 62.100 -0.060 0.000 0.964 302 T CB 1.389 70.238 68.868 -0.031 0.000 0.954 302 T HN 0.456 nan 8.240 nan 0.000 0.438 303 R N 2.707 123.098 120.500 -0.182 0.000 2.297 303 R HA 0.552 4.892 4.340 0.000 0.000 0.308 303 R C -1.411 174.712 176.300 -0.296 0.000 1.029 303 R CA -0.437 55.594 56.100 -0.114 0.000 0.929 303 R CB 0.425 30.675 30.300 -0.083 0.000 1.046 303 R HN 0.434 nan 8.270 nan 0.000 0.461 304 F N 3.662 123.578 119.950 -0.057 0.000 2.449 304 F HA 0.420 4.947 4.527 0.000 0.000 0.342 304 F C 0.158 175.932 175.800 -0.044 0.000 1.127 304 F CA -0.667 57.303 58.000 -0.051 0.000 0.975 304 F CB 1.735 40.693 39.000 -0.070 0.000 1.146 304 F HN 0.297 nan 8.300 nan 0.000 0.444 305 K N 1.063 121.518 120.400 0.091 0.000 2.090 305 K HA 0.206 4.526 4.320 0.000 0.000 0.249 305 K C 0.813 177.473 176.600 0.100 0.000 0.995 305 K CA -0.698 55.623 56.287 0.056 0.000 0.914 305 K CB 1.090 33.594 32.500 0.007 0.000 1.057 305 K HN 0.554 nan 8.250 nan 0.000 0.462 306 N N 1.165 119.901 118.700 0.059 0.000 2.258 306 N HA -0.229 4.511 4.740 0.000 0.000 0.187 306 N C 1.118 176.696 175.510 0.113 0.000 1.012 306 N CA 1.854 54.950 53.050 0.078 0.000 0.870 306 N CB -0.033 38.408 38.487 -0.078 0.000 0.977 306 N HN 0.574 nan 8.380 nan 0.000 0.434 307 N N -1.489 117.250 118.700 0.064 0.000 2.424 307 N HA 0.003 4.743 4.740 0.000 0.000 0.178 307 N C 0.711 176.273 175.510 0.087 0.000 1.060 307 N CA 0.688 53.773 53.050 0.058 0.000 0.901 307 N CB -0.205 38.291 38.487 0.015 0.000 0.979 307 N HN 0.289 nan 8.380 nan 0.000 0.451 308 N N -0.477 118.288 118.700 0.109 0.000 2.424 308 N HA 0.201 4.941 4.740 0.000 0.000 0.178 308 N C -0.411 175.210 175.510 0.185 0.000 1.060 308 N CA 0.138 53.258 53.050 0.117 0.000 0.901 308 N CB 0.386 38.922 38.487 0.083 0.000 0.979 308 N HN 0.229 nan 8.380 nan 0.000 0.451 309 I N 0.587 121.273 120.570 0.193 0.000 2.428 309 I HA 0.146 4.316 4.170 0.000 0.000 0.296 309 I C -0.248 175.866 176.117 -0.005 0.000 0.985 309 I CA -0.549 60.766 61.300 0.025 0.000 1.260 309 I CB 1.690 39.592 38.000 -0.164 0.000 1.389 309 I HN -0.086 nan 8.210 nan 0.000 0.484 310 S N 5.982 121.565 115.700 -0.195 0.000 2.416 310 S HA 0.439 4.909 4.470 0.000 0.000 0.287 310 S C -0.523 173.865 174.600 -0.354 0.000 1.139 310 S CA -0.458 57.649 58.200 -0.156 0.000 1.058 310 S CB -0.154 62.948 63.200 -0.162 0.000 0.967 310 S HN 0.209 nan 8.310 nan 0.000 0.495 311 F N 1.643 121.485 119.950 -0.180 0.000 2.399 311 F HA 0.273 4.800 4.527 0.000 0.000 0.334 311 F C 1.578 177.251 175.800 -0.212 0.000 1.097 311 F CA -1.255 56.637 58.000 -0.179 0.000 1.076 311 F CB 0.817 39.797 39.000 -0.033 0.000 1.162 311 F HN 0.437 nan 8.300 nan 0.000 0.495 312 D N 0.749 121.106 120.400 -0.071 0.000 2.108 312 D HA -0.159 4.481 4.640 0.000 0.000 0.190 312 D C 0.249 176.574 176.300 0.042 0.000 0.995 312 D CA 1.927 55.853 54.000 -0.123 0.000 0.834 312 D CB 0.220 41.049 40.800 0.049 0.000 0.967 312 D HN 0.662 nan 8.370 nan 0.000 0.446 313 Q N -1.490 118.405 119.800 0.158 0.000 2.605 313 Q HA 0.561 4.901 4.340 0.000 0.000 0.296 313 Q C -2.805 173.231 176.000 0.061 0.000 1.056 313 Q CA -2.118 53.726 55.803 0.068 0.000 0.778 313 Q CB 1.558 30.294 28.738 -0.004 0.000 1.497 313 Q HN -0.129 nan 8.270 nan 0.000 0.443 314 P HA 0.093 nan 4.420 nan 0.000 0.271 314 P C -1.525 175.528 177.300 -0.412 0.000 1.218 314 P CA 0.209 63.112 63.100 -0.328 0.000 0.780 314 P CB 0.172 31.631 31.700 -0.400 0.000 0.901 315 Y N 0.131 120.074 120.300 -0.594 0.000 2.446 315 Y HA 0.508 5.058 4.550 0.000 0.000 0.345 315 Y C 1.238 176.891 175.900 -0.411 0.000 0.984 315 Y CA -0.514 57.338 58.100 -0.413 0.000 1.058 315 Y CB 1.746 40.050 38.460 -0.261 0.000 1.220 315 Y HN 0.372 nan 8.280 nan 0.000 0.455 316 A N 2.355 125.034 122.820 -0.235 0.000 1.911 316 A HA 0.587 4.907 4.320 0.000 0.000 0.212 316 A C 0.532 177.928 177.584 -0.315 0.000 1.189 316 A CA 1.084 52.966 52.037 -0.258 0.000 0.639 316 A CB -0.110 18.747 19.000 -0.238 0.000 0.839 316 A HN 0.724 nan 8.150 nan 0.000 0.449 317 A N -1.067 121.517 122.820 -0.394 0.000 2.517 317 A HA 0.636 4.956 4.320 0.000 0.000 0.297 317 A C -1.569 175.784 177.584 -0.384 0.000 1.050 317 A CA -0.325 51.397 52.037 -0.525 0.000 0.694 317 A CB 1.183 19.597 19.000 -0.975 0.000 1.277 317 A HN 0.931 nan 8.150 nan 0.000 0.400 318 L N 2.076 122.994 121.223 -0.509 0.000 2.476 318 L HA 0.791 5.131 4.340 0.000 0.000 0.269 318 L C -2.066 174.451 176.870 -0.588 0.000 0.965 318 L CA -0.160 54.432 54.840 -0.413 0.000 0.845 318 L CB 1.310 43.167 42.059 -0.336 0.000 1.259 318 L HN 0.661 nan 8.230 nan 0.000 0.403 319 Y N 4.436 124.597 120.300 -0.233 0.000 2.499 319 Y HA 0.659 5.209 4.550 0.000 0.000 0.347 319 Y C -2.273 173.651 175.900 0.039 0.000 0.987 319 Y CA -2.273 55.758 58.100 -0.114 0.000 1.044 319 Y CB 1.873 40.264 38.460 -0.114 0.000 1.245 319 Y HN 0.489 nan 8.280 nan 0.000 0.461 320 P HA -0.032 nan 4.420 nan 0.000 0.268 320 P C 0.324 177.814 177.300 0.316 0.000 1.208 320 P CA 0.252 63.426 63.100 0.123 0.000 0.777 320 P CB 0.654 32.347 31.700 -0.011 0.000 0.875 321 S N 0.666 116.542 115.700 0.294 0.000 2.660 321 S HA 0.018 4.488 4.470 0.000 0.000 0.223 321 S C 1.187 175.889 174.600 0.170 0.000 0.963 321 S CA 0.424 58.787 58.200 0.273 0.000 0.932 321 S CB -1.020 62.318 63.200 0.229 0.000 0.775 321 S HN 0.283 nan 8.310 nan 0.000 0.531 322 V N -0.448 119.555 119.914 0.149 0.000 0.550 322 V HA -0.293 3.827 4.120 0.000 0.000 0.092 322 V C 1.696 177.803 176.094 0.022 0.000 2.065 322 V CA 1.680 64.005 62.300 0.042 0.000 3.496 322 V CB -2.339 29.437 31.823 -0.079 0.000 0.788 322 V HN 0.868 nan 8.190 nan 0.000 0.820 323 G N 3.385 112.213 108.800 0.046 0.000 2.690 323 G HA2 0.391 4.351 3.960 0.000 0.000 0.239 323 G HA3 0.391 4.351 3.960 0.000 0.000 0.239 323 G C -1.978 173.049 174.900 0.210 0.000 1.233 323 G CA 0.335 45.539 45.100 0.174 0.000 0.847 323 G HN 0.610 nan 8.290 nan 0.000 0.588 324 P HA 0.235 nan 4.420 nan 0.000 0.274 324 P C 0.395 177.791 177.300 0.159 0.000 1.237 324 P CA -0.007 63.210 63.100 0.194 0.000 0.793 324 P CB 1.294 33.092 31.700 0.162 0.000 0.977 325 G N 1.064 109.912 108.800 0.080 0.000 2.613 325 G HA2 0.697 4.657 3.960 0.000 0.000 0.303 325 G HA3 0.697 4.657 3.960 0.000 0.000 0.303 325 G C -0.207 174.616 174.900 -0.127 0.000 1.312 325 G CA -1.008 44.034 45.100 -0.097 0.000 1.036 325 G HN 0.647 nan 8.290 nan 0.000 0.513 326 I N -3.707 116.774 120.570 -0.149 0.000 3.108 326 I HA 0.645 4.815 4.170 0.000 0.000 0.312 326 I C -1.610 174.508 176.117 0.002 0.000 1.095 326 I CA -1.341 59.931 61.300 -0.046 0.000 1.000 326 I CB 2.618 40.610 38.000 -0.012 0.000 1.229 326 I HN 0.353 nan 8.210 nan 0.000 0.454 327 Y N 3.512 123.767 120.300 -0.074 0.000 2.721 327 Y HA 0.472 5.022 4.550 0.000 0.000 0.328 327 Y C -1.795 174.138 175.900 0.056 0.000 1.003 327 Y CA -1.485 56.573 58.100 -0.071 0.000 1.275 327 Y CB 0.347 38.751 38.460 -0.092 0.000 1.097 327 Y HN 0.526 nan 8.280 nan 0.000 0.514 328 Y N 5.384 125.565 120.300 -0.199 0.000 2.328 328 Y HA 0.374 4.924 4.550 0.000 0.000 0.337 328 Y C 0.256 175.987 175.900 -0.281 0.000 0.966 328 Y CA -1.542 56.422 58.100 -0.227 0.000 1.136 328 Y CB 0.804 39.203 38.460 -0.101 0.000 1.170 328 Y HN 0.623 nan 8.280 nan 0.000 0.470 329 K N 4.940 124.940 120.400 -0.666 0.000 3.311 329 K HA -0.251 4.069 4.320 0.000 0.000 0.270 329 K C 0.920 177.282 176.600 -0.397 0.000 0.927 329 K CA 0.966 56.899 56.287 -0.591 0.000 0.706 329 K CB -1.648 30.411 32.500 -0.735 0.000 1.418 329 K HN 1.277 nan 8.250 nan 0.000 0.459 330 G N -0.427 108.067 108.800 -0.510 0.000 2.205 330 G HA2 -0.347 3.613 3.960 0.000 0.000 0.261 330 G HA3 -0.347 3.613 3.960 0.000 0.000 0.261 330 G C -0.086 174.855 174.900 0.068 0.000 0.980 330 G CA 0.821 45.791 45.100 -0.217 0.000 0.632 330 G HN 0.369 nan 8.290 nan 0.000 0.533 331 K N 0.279 120.682 120.400 0.005 0.000 2.378 331 K HA 0.589 4.909 4.320 0.000 0.000 0.252 331 K C 0.014 176.719 176.600 0.175 0.000 0.931 331 K CA -1.128 55.244 56.287 0.141 0.000 0.794 331 K CB 1.814 34.371 32.500 0.096 0.000 1.181 331 K HN 0.024 nan 8.250 nan 0.000 0.425 332 I N 4.124 124.723 120.570 0.048 0.000 2.556 332 I HA 0.173 4.343 4.170 0.000 0.000 0.284 332 I C 0.180 176.222 176.117 -0.125 0.000 1.114 332 I CA 0.148 61.349 61.300 -0.166 0.000 1.418 332 I CB 0.077 37.785 38.000 -0.487 0.000 1.394 332 I HN 0.510 nan 8.210 nan 0.000 0.552 333 I N 6.993 127.436 120.570 -0.211 0.000 2.500 333 I HA 0.298 4.468 4.170 0.000 0.000 0.286 333 I C -0.715 175.281 176.117 -0.201 0.000 1.063 333 I CA -0.396 60.838 61.300 -0.110 0.000 1.062 333 I CB 1.569 39.565 38.000 -0.008 0.000 1.223 333 I HN 0.243 nan 8.210 nan 0.000 0.435 334 F N 5.551 125.504 119.950 0.005 0.000 2.450 334 F HA 0.540 5.068 4.527 0.000 0.000 0.328 334 F C -0.080 175.735 175.800 0.024 0.000 1.068 334 F CA -0.932 57.082 58.000 0.023 0.000 1.007 334 F CB 1.251 40.262 39.000 0.018 0.000 1.251 334 F HN 0.209 nan 8.300 nan 0.000 0.492 335 L N 1.292 122.687 121.223 0.287 0.000 2.309 335 L HA 0.832 5.172 4.340 0.000 0.000 0.282 335 L C -0.162 176.843 176.870 0.224 0.000 1.036 335 L CA 0.124 55.085 54.840 0.201 0.000 0.806 335 L CB 0.898 43.065 42.059 0.181 0.000 1.220 335 L HN 0.655 nan 8.230 nan 0.000 0.429 336 G N 3.204 112.121 108.800 0.195 0.000 2.818 336 G HA2 0.653 4.613 3.960 0.000 0.000 0.286 336 G HA3 0.653 4.613 3.960 0.000 0.000 0.286 336 G C -1.859 173.251 174.900 0.351 0.000 1.364 336 G CA -0.290 44.947 45.100 0.227 0.000 0.938 336 G HN 0.821 nan 8.290 nan 0.000 0.490 337 Y N -2.734 117.645 120.300 0.131 0.000 2.725 337 Y HA 0.821 5.371 4.550 0.000 0.000 0.333 337 Y C 0.254 176.281 175.900 0.213 0.000 1.242 337 Y CA -0.473 57.728 58.100 0.169 0.000 1.059 337 Y CB 1.336 39.902 38.460 0.177 0.000 1.306 337 Y HN 1.655 nan 8.280 nan 0.000 0.454 338 G N -0.344 108.473 108.800 0.028 0.000 2.403 338 G HA2 0.425 4.385 3.960 0.000 0.000 0.223 338 G HA3 0.425 4.385 3.960 0.000 0.000 0.223 338 G C -1.212 173.709 174.900 0.036 0.000 1.287 338 G CA -0.291 44.776 45.100 -0.054 0.000 0.982 338 G HN 1.466 nan 8.290 nan 0.000 0.471 339 G N -0.561 108.155 108.800 -0.140 0.000 2.542 339 G HA2 0.655 4.615 3.960 0.000 0.000 0.311 339 G HA3 0.655 4.615 3.960 0.000 0.000 0.311 339 G C -0.561 174.180 174.900 -0.266 0.000 1.298 339 G CA -0.693 44.333 45.100 -0.123 0.000 0.973 339 G HN 0.642 nan 8.290 nan 0.000 0.487 340 L N 1.794 122.821 121.223 -0.327 0.000 2.319 340 L HA 0.196 4.536 4.340 0.000 0.000 0.280 340 L C 1.704 178.363 176.870 -0.350 0.000 1.099 340 L CA -0.337 54.203 54.840 -0.500 0.000 0.828 340 L CB 1.650 43.474 42.059 -0.391 0.000 1.150 340 L HN 0.879 nan 8.230 nan 0.000 0.442 341 E N 2.441 122.374 120.200 -0.445 0.000 2.021 341 E HA -0.181 4.169 4.350 0.000 0.000 0.200 341 E C 0.278 176.703 176.600 -0.291 0.000 1.015 341 E CA 1.166 57.325 56.400 -0.400 0.000 0.824 341 E CB 0.195 29.545 29.700 -0.583 0.000 0.762 341 E HN 0.503 nan 8.360 nan 0.000 0.454 342 H N -0.295 118.691 119.070 -0.139 0.000 2.771 342 H HA 0.065 4.621 4.556 0.000 0.000 0.364 342 H C -1.891 173.381 175.328 -0.093 0.000 1.133 342 H CA -1.976 54.011 56.048 -0.101 0.000 1.423 342 H CB -0.073 29.636 29.762 -0.088 0.000 1.425 342 H HN 0.156 nan 8.280 nan 0.000 0.606 343 P HA -0.012 nan 4.420 nan 0.000 0.269 343 P C 0.018 177.327 177.300 0.015 0.000 1.601 343 P CA -0.197 62.900 63.100 -0.006 0.000 0.831 343 P CB -0.369 31.319 31.700 -0.021 0.000 1.688 344 I N 0.705 121.292 120.570 0.029 0.000 3.087 344 I HA -0.168 4.002 4.170 0.000 0.000 0.318 344 I C 0.742 176.888 176.117 0.050 0.000 1.209 344 I CA 1.135 62.456 61.300 0.033 0.000 1.460 344 I CB -0.535 37.478 38.000 0.023 0.000 1.306 344 I HN 0.220 nan 8.210 nan 0.000 0.560 345 N N 6.736 125.465 118.700 0.048 0.000 2.461 345 N HA 0.462 5.202 4.740 0.000 0.000 0.284 345 N C -0.594 174.948 175.510 0.052 0.000 1.049 345 N CA -0.521 52.567 53.050 0.063 0.000 0.889 345 N CB 2.310 40.831 38.487 0.057 0.000 1.365 345 N HN 0.560 nan 8.380 nan 0.000 0.499 346 E N 0.657 120.892 120.200 0.059 0.000 2.456 346 E HA 0.344 4.694 4.350 0.000 0.000 0.276 346 E C -1.170 175.459 176.600 0.048 0.000 0.981 346 E CA -0.906 55.522 56.400 0.046 0.000 0.814 346 E CB 1.279 31.005 29.700 0.043 0.000 1.382 346 E HN 0.279 nan 8.360 nan 0.000 0.459 347 N N 1.094 119.816 118.700 0.038 0.000 2.469 347 N HA 0.201 4.941 4.740 0.000 0.000 0.239 347 N C -0.307 175.226 175.510 0.037 0.000 1.053 347 N CA -0.361 52.710 53.050 0.035 0.000 0.937 347 N CB 0.849 39.351 38.487 0.026 0.000 1.163 347 N HN 0.305 nan 8.380 nan 0.000 0.509 348 V N 0.782 120.727 119.914 0.051 0.000 3.096 348 V HA 0.201 4.322 4.120 0.000 0.000 0.306 348 V C 0.975 177.089 176.094 0.032 0.000 1.088 348 V CA -1.042 61.288 62.300 0.050 0.000 1.129 348 V CB 0.572 32.452 31.823 0.094 0.000 1.014 348 V HN 0.643 nan 8.190 nan 0.000 0.486 349 I N 3.823 124.371 120.570 -0.036 0.000 2.813 349 I HA 0.449 4.619 4.170 0.000 0.000 0.287 349 I C 0.095 176.205 176.117 -0.011 0.000 1.196 349 I CA 0.630 61.869 61.300 -0.102 0.000 1.421 349 I CB 0.214 38.021 38.000 -0.322 0.000 1.365 349 I HN 1.363 nan 8.210 nan 0.000 0.591 350 c N 5.555 124.202 118.600 0.078 0.000 3.086 350 c HA 0.300 4.870 4.570 0.000 0.000 0.396 350 c C -1.431 172.806 174.090 0.246 0.000 1.056 350 c CA -1.110 55.409 56.329 0.317 0.000 1.078 350 c CB 0.540 43.280 42.510 0.383 0.000 1.467 350 c HN 0.926 nan 8.230 nan 0.000 0.580 351 N N 1.790 120.705 118.700 0.359 0.000 2.408 351 N HA 0.486 5.226 4.740 0.000 0.000 0.280 351 N C 0.227 175.838 175.510 0.169 0.000 1.002 351 N CA 0.417 53.605 53.050 0.231 0.000 0.907 351 N CB 2.248 40.893 38.487 0.264 0.000 1.161 351 N HN 0.925 nan 8.380 nan 0.000 0.488 352 T N 0.674 115.270 114.554 0.071 0.000 2.985 352 T HA 0.053 4.403 4.350 0.000 0.000 0.254 352 T C 0.202 174.908 174.700 0.010 0.000 1.021 352 T CA 0.200 62.303 62.100 0.004 0.000 0.957 352 T CB -0.170 68.678 68.868 -0.032 0.000 1.047 352 T HN 0.718 nan 8.240 nan 0.000 0.511 353 T N -0.290 114.282 114.554 0.031 0.000 2.908 353 T HA 0.428 4.778 4.350 0.000 0.000 0.301 353 T C 1.436 176.149 174.700 0.023 0.000 1.019 353 T CA 0.558 62.671 62.100 0.022 0.000 1.152 353 T CB 0.602 69.484 68.868 0.024 0.000 0.966 353 T HN 0.507 nan 8.240 nan 0.000 0.540 354 G N 1.473 110.280 108.800 0.010 0.000 2.194 354 G HA2 -0.237 3.723 3.960 0.000 0.000 0.236 354 G HA3 -0.237 3.723 3.960 0.000 0.000 0.236 354 G C 0.261 175.158 174.900 -0.005 0.000 0.987 354 G CA -0.191 44.914 45.100 0.009 0.000 0.635 354 G HN 1.069 nan 8.290 nan 0.000 0.520 355 c N 2.828 121.419 118.600 -0.016 0.000 2.170 355 c HA 0.517 5.087 4.570 0.000 0.000 0.339 355 c C -1.741 172.332 174.090 -0.027 0.000 1.056 355 c CA -1.755 54.555 56.329 -0.031 0.000 1.535 355 c CB 0.159 42.633 42.510 -0.059 0.000 1.785 355 c HN 0.337 nan 8.230 nan 0.000 0.440 356 P HA 0.054 nan 4.420 nan 0.000 0.257 356 P C 0.974 178.262 177.300 -0.019 0.000 1.144 356 P CA 1.830 64.922 63.100 -0.013 0.000 0.761 356 P CB 0.144 31.840 31.700 -0.007 0.000 0.734 357 G N 2.163 110.951 108.800 -0.019 0.000 2.371 357 G HA2 -0.245 3.715 3.960 0.000 0.000 0.299 357 G HA3 -0.245 3.715 3.960 0.000 0.000 0.299 357 G C -0.103 174.776 174.900 -0.035 0.000 1.014 357 G CA -0.106 44.981 45.100 -0.023 0.000 1.097 357 G HN 0.455 nan 8.290 nan 0.000 0.512 358 K N 0.090 120.463 120.400 -0.045 0.000 2.316 358 K HA 0.778 5.098 4.320 0.000 0.000 0.251 358 K C 0.531 177.091 176.600 -0.067 0.000 0.934 358 K CA 0.056 56.300 56.287 -0.071 0.000 0.802 358 K CB 2.077 34.519 32.500 -0.097 0.000 1.171 358 K HN 0.555 nan 8.250 nan 0.000 0.426 359 T N -2.251 112.257 114.554 -0.076 0.000 2.831 359 T HA 0.202 4.552 4.350 0.000 0.000 0.287 359 T C 0.749 175.407 174.700 -0.070 0.000 1.070 359 T CA -0.549 61.516 62.100 -0.058 0.000 1.010 359 T CB 1.439 70.284 68.868 -0.039 0.000 1.264 359 T HN 0.266 nan 8.240 nan 0.000 0.532 360 Q N -0.435 119.340 119.800 -0.042 0.000 2.500 360 Q HA 0.023 4.363 4.340 0.000 0.000 0.213 360 Q C 1.969 177.950 176.000 -0.033 0.000 0.974 360 Q CA 0.832 56.616 55.803 -0.032 0.000 0.918 360 Q CB -0.146 28.587 28.738 -0.008 0.000 0.980 360 Q HN 0.718 nan 8.270 nan 0.000 0.505 361 R N -0.120 120.358 120.500 -0.038 0.000 2.112 361 R HA -0.041 4.299 4.340 0.000 0.000 0.216 361 R C 1.506 177.773 176.300 -0.055 0.000 1.080 361 R CA 0.987 57.070 56.100 -0.029 0.000 0.996 361 R CB 0.222 30.512 30.300 -0.017 0.000 0.902 361 R HN 0.132 nan 8.270 nan 0.000 0.449 362 D N 0.147 120.494 120.400 -0.088 0.000 2.104 362 D HA -0.205 4.435 4.640 0.000 0.000 0.194 362 D C 1.840 178.035 176.300 -0.175 0.000 0.994 362 D CA 1.521 55.443 54.000 -0.131 0.000 0.830 362 D CB -0.263 40.434 40.800 -0.172 0.000 0.959 362 D HN 0.333 nan 8.370 nan 0.000 0.452 363 c N 0.933 119.418 118.600 -0.191 0.000 2.432 363 c HA -0.104 4.466 4.570 0.000 0.000 0.277 363 c C 2.454 176.533 174.090 -0.017 0.000 1.249 363 c CA 0.447 56.682 56.329 -0.157 0.000 1.725 363 c CB -1.336 41.124 42.510 -0.083 0.000 2.028 363 c HN 0.417 nan 8.230 nan 0.000 0.477 364 N N 0.058 118.747 118.700 -0.019 0.000 2.244 364 N HA -0.189 4.551 4.740 0.000 0.000 0.183 364 N C 1.823 177.280 175.510 -0.087 0.000 1.016 364 N CA 0.863 53.913 53.050 0.000 0.000 0.866 364 N CB -0.218 38.282 38.487 0.021 0.000 0.980 364 N HN 0.485 nan 8.380 nan 0.000 0.430 365 Q N 1.162 120.901 119.800 -0.103 0.000 2.123 365 Q HA 0.082 4.422 4.340 0.000 0.000 0.199 365 Q C 1.825 177.695 176.000 -0.217 0.000 0.966 365 Q CA 1.206 56.904 55.803 -0.176 0.000 0.845 365 Q CB -0.229 28.471 28.738 -0.063 0.000 0.907 365 Q HN 0.332 nan 8.270 nan 0.000 0.439 366 A N -0.242 122.534 122.820 -0.073 0.000 2.121 366 A HA -0.105 4.215 4.320 0.000 0.000 0.218 366 A C 2.074 179.824 177.584 0.276 0.000 1.154 366 A CA 1.408 53.494 52.037 0.082 0.000 0.679 366 A CB -0.755 18.261 19.000 0.028 0.000 0.795 366 A HN 0.493 nan 8.150 nan 0.000 0.458 367 S N -0.149 115.644 115.700 0.155 0.000 2.469 367 S HA -0.059 4.411 4.470 0.000 0.000 0.238 367 S C 0.609 175.351 174.600 0.237 0.000 0.998 367 S CA 0.882 59.233 58.200 0.252 0.000 0.957 367 S CB -0.630 62.654 63.200 0.141 0.000 0.764 367 S HN 0.882 nan 8.310 nan 0.000 0.514 368 H N -1.709 117.567 119.070 0.344 0.000 3.008 368 H HA 0.814 5.370 4.556 0.000 0.000 0.354 368 H C -1.022 174.570 175.328 0.440 0.000 1.252 368 H CA -0.749 55.465 56.048 0.277 0.000 1.117 368 H CB 1.155 30.997 29.762 0.134 0.000 1.857 368 H HN 0.064 nan 8.280 nan 0.000 0.547 369 S N 0.341 116.450 115.700 0.682 0.000 2.540 369 S HA 0.371 4.841 4.470 0.000 0.000 0.275 369 S C -2.268 172.635 174.600 0.506 0.000 1.123 369 S CA -1.590 56.969 58.200 0.599 0.000 0.907 369 S CB 1.363 64.975 63.200 0.686 0.000 1.081 369 S HN 0.530 nan 8.310 nan 0.000 0.476 370 P HA -0.074 nan 4.420 nan 0.000 0.216 370 P C 1.361 178.860 177.300 0.331 0.000 1.150 370 P CA 0.885 64.164 63.100 0.299 0.000 0.837 370 P CB -0.125 31.724 31.700 0.248 0.000 0.786 371 W N -0.785 120.600 121.300 0.142 0.000 2.313 371 W HA -0.173 4.487 4.660 0.000 0.000 0.293 371 W C 0.382 176.812 176.519 -0.147 0.000 1.216 371 W CA 1.021 58.374 57.345 0.012 0.000 1.223 371 W CB -0.306 29.190 29.460 0.059 0.000 1.138 371 W HN -0.093 nan 8.180 nan 0.000 0.535 372 F N 0.833 120.906 119.950 0.205 0.000 2.750 372 F HA 0.147 4.674 4.527 0.000 0.000 0.297 372 F C 1.188 177.059 175.800 0.119 0.000 1.138 372 F CA 0.472 58.481 58.000 0.015 0.000 1.346 372 F CB -0.194 38.769 39.000 -0.062 0.000 0.965 372 F HN -0.270 nan 8.300 nan 0.000 0.514 373 S N 0.373 116.189 115.700 0.192 0.000 3.490 373 S HA -0.258 4.212 4.470 0.000 0.000 0.301 373 S C 0.378 175.064 174.600 0.143 0.000 1.233 373 S CA 0.701 58.989 58.200 0.147 0.000 0.914 373 S CB -1.406 61.874 63.200 0.133 0.000 1.047 373 S HN 0.719 nan 8.310 nan 0.000 0.602 374 D N -1.081 119.437 120.400 0.197 0.000 3.067 374 D HA -0.180 4.460 4.640 0.000 0.000 0.216 374 D C 0.344 176.642 176.300 -0.003 0.000 1.162 374 D CA 1.371 55.419 54.000 0.081 0.000 0.960 374 D CB -0.486 40.265 40.800 -0.082 0.000 1.129 374 D HN 0.515 nan 8.370 nan 0.000 0.408 375 R N 0.892 121.462 120.500 0.118 0.000 2.623 375 R HA 0.212 4.552 4.340 0.000 0.000 0.271 375 R C 0.656 176.981 176.300 0.042 0.000 1.043 375 R CA -0.076 56.065 56.100 0.068 0.000 1.083 375 R CB 0.186 30.581 30.300 0.159 0.000 0.974 375 R HN 0.025 nan 8.270 nan 0.000 0.436 376 R N 2.041 122.526 120.500 -0.025 0.000 2.351 376 R HA 0.110 4.450 4.340 0.000 0.000 0.318 376 R C 0.104 176.330 176.300 -0.122 0.000 1.055 376 R CA 0.188 56.269 56.100 -0.031 0.000 0.968 376 R CB 0.315 30.601 30.300 -0.023 0.000 0.974 376 R HN 0.315 nan 8.270 nan 0.000 0.439 377 M N 4.525 123.963 119.600 -0.270 0.000 2.156 377 M HA 0.190 4.670 4.480 0.000 0.000 0.345 377 M C -0.207 175.967 176.300 -0.210 0.000 1.398 377 M CA -0.292 54.744 55.300 -0.440 0.000 1.148 377 M CB 0.157 31.959 32.600 -1.330 0.000 1.663 377 M HN 0.406 nan 8.290 nan 0.000 0.464 378 V N 2.258 122.142 119.914 -0.051 0.000 3.141 378 V HA 0.715 4.835 4.120 0.000 0.000 0.312 378 V C -0.656 175.547 176.094 0.181 0.000 1.157 378 V CA -1.078 61.261 62.300 0.064 0.000 1.041 378 V CB 2.444 34.309 31.823 0.069 0.000 1.071 378 V HN 0.778 nan 8.190 nan 0.000 0.441 379 N N 0.006 118.823 118.700 0.196 0.000 2.443 379 N HA 0.822 5.562 4.740 0.000 0.000 0.293 379 N C -0.931 174.707 175.510 0.214 0.000 1.159 379 N CA -0.426 52.764 53.050 0.232 0.000 0.904 379 N CB 2.005 40.613 38.487 0.202 0.000 1.214 379 N HN 0.961 nan 8.380 nan 0.000 0.513 380 S N 0.616 116.430 115.700 0.191 0.000 2.564 380 S HA 0.510 4.980 4.470 0.000 0.000 0.274 380 S C -1.222 173.436 174.600 0.097 0.000 1.124 380 S CA -0.704 57.580 58.200 0.140 0.000 0.869 380 S CB 1.239 64.479 63.200 0.066 0.000 1.105 380 S HN 0.289 nan 8.310 nan 0.000 0.472 381 I N 2.449 123.071 120.570 0.086 0.000 2.312 381 I HA 0.392 4.562 4.170 0.000 0.000 0.290 381 I C -0.603 175.525 176.117 0.017 0.000 1.008 381 I CA -0.554 60.777 61.300 0.052 0.000 1.226 381 I CB 0.516 38.522 38.000 0.010 0.000 1.371 381 I HN 0.587 nan 8.210 nan 0.000 0.468 382 I N 7.004 127.586 120.570 0.020 0.000 2.312 382 I HA 0.300 4.470 4.170 0.000 0.000 0.290 382 I C -0.097 176.038 176.117 0.030 0.000 1.008 382 I CA -0.699 60.580 61.300 -0.035 0.000 1.226 382 I CB 1.526 39.487 38.000 -0.065 0.000 1.371 382 I HN 0.127 nan 8.210 nan 0.000 0.468 383 V N 7.442 127.343 119.914 -0.021 0.000 2.439 383 V HA 0.316 4.436 4.120 0.000 0.000 0.282 383 V C 0.194 176.303 176.094 0.026 0.000 1.039 383 V CA -0.656 61.651 62.300 0.012 0.000 0.913 383 V CB 1.826 33.648 31.823 -0.002 0.000 0.983 383 V HN 0.379 nan 8.190 nan 0.000 0.460 384 V N 3.999 123.956 119.914 0.071 0.000 2.427 384 V HA 0.435 4.555 4.120 0.000 0.000 0.286 384 V C -0.614 175.545 176.094 0.109 0.000 1.034 384 V CA -0.538 61.818 62.300 0.094 0.000 0.893 384 V CB 1.756 33.687 31.823 0.180 0.000 0.982 384 V HN 0.926 nan 8.190 nan 0.000 0.452 385 D N 3.729 124.200 120.400 0.119 0.000 2.408 385 D HA 0.567 5.207 4.640 0.000 0.000 0.243 385 D C -0.437 175.950 176.300 0.145 0.000 1.075 385 D CA -0.361 53.713 54.000 0.123 0.000 0.832 385 D CB 1.575 42.440 40.800 0.108 0.000 1.162 385 D HN 0.457 nan 8.370 nan 0.000 0.515 386 K N 1.660 122.146 120.400 0.144 0.000 2.525 386 K HA 0.662 4.982 4.320 0.000 0.000 0.254 386 K C -0.370 176.298 176.600 0.114 0.000 0.934 386 K CA -0.769 55.606 56.287 0.146 0.000 0.802 386 K CB 2.048 34.668 32.500 0.200 0.000 1.295 386 K HN 0.530 nan 8.250 nan 0.000 0.433 387 G N 1.861 110.715 108.800 0.090 0.000 2.537 387 G HA2 0.202 4.162 3.960 0.000 0.000 0.297 387 G HA3 0.202 4.162 3.960 0.000 0.000 0.297 387 G C 0.619 175.558 174.900 0.065 0.000 1.310 387 G CA -0.653 44.489 45.100 0.070 0.000 1.027 387 G HN 0.589 nan 8.290 nan 0.000 0.505 388 L N -0.258 120.996 121.223 0.051 0.000 1.989 388 L HA -0.094 4.246 4.340 0.000 0.000 0.211 388 L C 1.849 178.740 176.870 0.036 0.000 1.071 388 L CA 2.168 57.034 54.840 0.044 0.000 0.749 388 L CB -0.091 41.988 42.059 0.034 0.000 0.890 388 L HN 0.564 nan 8.230 nan 0.000 0.431 389 N N -1.951 116.767 118.700 0.030 0.000 2.168 389 N HA 0.103 4.843 4.740 0.000 0.000 0.216 389 N C 0.588 176.110 175.510 0.020 0.000 1.259 389 N CA 0.666 53.728 53.050 0.020 0.000 0.902 389 N CB 0.118 38.613 38.487 0.013 0.000 1.079 389 N HN 0.403 nan 8.380 nan 0.000 0.507 390 S N 0.819 116.535 115.700 0.028 0.000 2.617 390 S HA 0.322 4.792 4.470 0.000 0.000 0.255 390 S C 0.374 174.992 174.600 0.030 0.000 1.318 390 S CA -0.369 57.847 58.200 0.026 0.000 0.978 390 S CB 0.742 63.962 63.200 0.032 0.000 0.961 390 S HN -0.044 nan 8.310 nan 0.000 0.582 391 I N 2.805 123.389 120.570 0.023 0.000 2.428 391 I HA 0.375 4.545 4.170 0.000 0.000 0.289 391 I C -1.629 174.530 176.117 0.070 0.000 1.019 391 I CA -2.117 59.196 61.300 0.020 0.000 1.351 391 I CB 0.609 38.592 38.000 -0.027 0.000 1.412 391 I HN 0.585 nan 8.210 nan 0.000 0.513 392 P HA 0.215 nan 4.420 nan 0.000 0.273 392 P C -1.263 176.230 177.300 0.321 0.000 1.250 392 P CA -0.471 62.765 63.100 0.228 0.000 0.793 392 P CB 0.824 32.697 31.700 0.288 0.000 1.011 393 K N 0.293 120.869 120.400 0.294 0.000 2.477 393 K HA 0.631 4.951 4.320 0.000 0.000 0.255 393 K C -0.685 175.982 176.600 0.113 0.000 0.952 393 K CA -0.832 55.635 56.287 0.300 0.000 0.826 393 K CB 2.003 34.603 32.500 0.166 0.000 1.331 393 K HN 0.363 nan 8.250 nan 0.000 0.437 394 L N 1.288 122.505 121.223 -0.010 0.000 2.341 394 L HA 0.600 4.940 4.340 0.000 0.000 0.267 394 L C -0.736 176.004 176.870 -0.217 0.000 1.009 394 L CA -0.912 53.772 54.840 -0.260 0.000 0.819 394 L CB 2.162 43.829 42.059 -0.654 0.000 1.323 394 L HN 0.565 nan 8.230 nan 0.000 0.425 395 K N 1.330 121.580 120.400 -0.250 0.000 2.550 395 K HA 0.602 4.922 4.320 0.000 0.000 0.252 395 K C -1.969 174.386 176.600 -0.408 0.000 0.943 395 K CA -0.512 55.584 56.287 -0.318 0.000 0.806 395 K CB 2.454 34.872 32.500 -0.136 0.000 1.289 395 K HN 0.333 nan 8.250 nan 0.000 0.435 396 V N 3.676 123.198 119.914 -0.653 0.000 2.513 396 V HA 0.567 4.687 4.120 0.000 0.000 0.299 396 V C -1.158 174.558 176.094 -0.629 0.000 1.035 396 V CA -0.537 61.415 62.300 -0.580 0.000 0.889 396 V CB 1.141 32.489 31.823 -0.792 0.000 0.988 396 V HN 0.704 nan 8.190 nan 0.000 0.440 397 W N 1.151 122.363 121.300 -0.147 0.000 2.785 397 W HA 0.615 5.275 4.660 0.000 0.000 0.333 397 W C -0.086 176.463 176.519 0.051 0.000 1.062 397 W CA -0.524 56.801 57.345 -0.034 0.000 1.233 397 W CB 1.916 31.318 29.460 -0.096 0.000 1.413 397 W HN 0.365 nan 8.180 nan 0.000 0.489 398 T N 3.993 118.743 114.554 0.327 0.000 2.767 398 T HA 0.470 4.820 4.350 0.000 0.000 0.288 398 T C 0.037 174.867 174.700 0.216 0.000 0.963 398 T CA -0.484 61.784 62.100 0.280 0.000 1.019 398 T CB 0.451 69.459 68.868 0.232 0.000 0.923 398 T HN 0.123 nan 8.240 nan 0.000 0.468 399 I N 2.850 123.528 120.570 0.179 0.000 2.441 399 I HA 0.161 4.331 4.170 0.000 0.000 0.287 399 I C 1.128 177.313 176.117 0.113 0.000 1.049 399 I CA -0.351 61.028 61.300 0.132 0.000 1.381 399 I CB 1.072 39.142 38.000 0.116 0.000 1.409 399 I HN 0.585 nan 8.210 nan 0.000 0.523 400 S N 6.334 122.087 115.700 0.090 0.000 2.562 400 S HA 0.132 4.602 4.470 0.000 0.000 0.281 400 S C 1.067 175.704 174.600 0.061 0.000 1.333 400 S CA -0.480 57.762 58.200 0.070 0.000 1.052 400 S CB 0.700 63.934 63.200 0.057 0.000 0.884 400 S HN 0.629 nan 8.310 nan 0.000 0.506 401 M N 3.399 123.030 119.600 0.051 0.000 2.700 401 M HA -0.003 4.477 4.480 0.000 0.000 0.249 401 M C 1.912 178.225 176.300 0.022 0.000 1.082 401 M CA 0.856 56.182 55.300 0.044 0.000 1.077 401 M CB -0.304 32.325 32.600 0.049 0.000 1.477 401 M HN 0.656 nan 8.290 nan 0.000 0.529 402 R N -0.223 120.291 120.500 0.024 0.000 2.127 402 R HA 0.002 4.342 4.340 0.000 0.000 0.217 402 R C 1.893 178.192 176.300 -0.000 0.000 1.074 402 R CA 0.665 56.771 56.100 0.010 0.000 0.991 402 R CB -0.013 30.298 30.300 0.019 0.000 0.895 402 R HN 0.416 nan 8.270 nan 0.000 0.450 403 Q N 0.118 119.932 119.800 0.023 0.000 2.339 403 Q HA 0.098 4.438 4.340 0.000 0.000 0.205 403 Q C 0.092 176.180 176.000 0.147 0.000 0.925 403 Q CA 0.538 56.369 55.803 0.047 0.000 0.898 403 Q CB 0.194 28.943 28.738 0.020 0.000 1.013 403 Q HN 0.092 nan 8.270 nan 0.000 0.504 404 N N -0.761 118.006 118.700 0.111 0.000 2.265 404 N HA 0.206 4.946 4.740 0.000 0.000 0.300 404 N C -1.224 174.281 175.510 -0.008 0.000 1.148 404 N CA -0.426 52.747 53.050 0.204 0.000 0.772 404 N CB 0.890 39.535 38.487 0.264 0.000 1.434 404 N HN -0.233 nan 8.380 nan 0.000 0.481 405 Y N -0.014 120.288 120.300 0.004 0.000 2.262 405 Y HA 0.197 4.747 4.550 0.000 0.000 0.368 405 Y C 0.755 176.698 175.900 0.071 0.000 1.352 405 Y CA -0.192 57.863 58.100 -0.075 0.000 1.760 405 Y CB 0.144 38.397 38.460 -0.345 0.000 1.627 405 Y HN 0.392 nan 8.280 nan 0.000 0.606 406 W N 2.628 123.992 121.300 0.106 0.000 2.561 406 W HA -0.024 4.636 4.660 0.000 0.000 0.343 406 W C 0.266 176.832 176.519 0.078 0.000 1.190 406 W CA 0.285 57.675 57.345 0.075 0.000 1.232 406 W CB -0.112 29.358 29.460 0.018 0.000 1.195 406 W HN 0.635 nan 8.180 nan 0.000 0.571 407 G N 5.529 114.293 108.800 -0.058 0.000 2.225 407 G HA2 0.255 4.215 3.960 0.000 0.000 0.245 407 G HA3 0.255 4.215 3.960 0.000 0.000 0.245 407 G C -0.594 174.458 174.900 0.254 0.000 1.249 407 G CA 0.008 45.170 45.100 0.104 0.000 0.919 407 G HN 0.490 nan 8.290 nan 0.000 0.486 408 S N 1.252 117.035 115.700 0.139 0.000 2.720 408 S HA 0.402 4.872 4.470 0.000 0.000 0.287 408 S C -0.422 173.795 174.600 -0.638 0.000 1.168 408 S CA -0.934 57.155 58.200 -0.184 0.000 0.832 408 S CB 1.699 64.861 63.200 -0.063 0.000 1.166 408 S HN 0.729 nan 8.310 nan 0.000 0.493 409 E N -0.136 119.616 120.200 -0.746 0.000 2.404 409 E HA 0.534 4.884 4.350 0.000 0.000 0.261 409 E C 0.360 176.952 176.600 -0.014 0.000 1.074 409 E CA 0.018 56.169 56.400 -0.415 0.000 0.917 409 E CB 0.606 30.227 29.700 -0.130 0.000 0.965 409 E HN 0.759 nan 8.360 nan 0.000 0.433 410 G N 0.672 109.623 108.800 0.252 0.000 2.348 410 G HA2 0.439 4.400 3.960 0.000 0.000 0.296 410 G HA3 0.439 4.400 3.960 0.000 0.000 0.296 410 G C -1.580 173.593 174.900 0.455 0.000 1.258 410 G CA -0.801 44.521 45.100 0.370 0.000 0.868 410 G HN 0.583 nan 8.290 nan 0.000 0.488 411 R N -1.458 119.277 120.500 0.391 0.000 2.734 411 R HA 0.804 5.144 4.340 0.000 0.000 0.271 411 R C -1.819 174.605 176.300 0.207 0.000 1.021 411 R CA -1.001 55.277 56.100 0.298 0.000 0.893 411 R CB 1.150 31.640 30.300 0.316 0.000 1.244 411 R HN 0.512 nan 8.270 nan 0.000 0.464 412 L N 1.848 123.160 121.223 0.148 0.000 2.362 412 L HA 0.596 4.937 4.340 0.000 0.000 0.271 412 L C -0.926 175.988 176.870 0.073 0.000 1.002 412 L CA -1.068 53.825 54.840 0.088 0.000 0.818 412 L CB 2.073 44.157 42.059 0.041 0.000 1.298 412 L HN 0.444 nan 8.230 nan 0.000 0.420 413 L N 4.083 125.346 121.223 0.068 0.000 2.376 413 L HA 0.428 4.769 4.340 0.000 0.000 0.275 413 L C -1.012 175.911 176.870 0.089 0.000 0.987 413 L CA -0.621 54.252 54.840 0.054 0.000 0.828 413 L CB 2.385 44.407 42.059 -0.062 0.000 1.249 413 L HN 0.367 nan 8.230 nan 0.000 0.409 414 L N 5.901 127.165 121.223 0.068 0.000 2.287 414 L HA 0.500 4.840 4.340 0.000 0.000 0.280 414 L C -1.111 175.825 176.870 0.109 0.000 1.055 414 L CA 0.125 55.004 54.840 0.064 0.000 0.863 414 L CB 0.460 42.551 42.059 0.054 0.000 1.245 414 L HN 0.432 nan 8.230 nan 0.000 0.432 415 L N 6.402 127.719 121.223 0.156 0.000 2.342 415 L HA 0.776 5.116 4.340 0.000 0.000 0.276 415 L C 0.925 177.894 176.870 0.165 0.000 0.997 415 L CA -0.202 54.733 54.840 0.159 0.000 0.838 415 L CB 0.995 43.135 42.059 0.134 0.000 1.224 415 L HN 0.838 nan 8.230 nan 0.000 0.416 416 G N 3.425 112.302 108.800 0.128 0.000 2.509 416 G HA2 -0.346 3.614 3.960 0.000 0.000 0.256 416 G HA3 -0.346 3.614 3.960 0.000 0.000 0.256 416 G C 0.343 175.295 174.900 0.087 0.000 1.152 416 G CA 0.511 45.676 45.100 0.108 0.000 0.951 416 G HN 0.660 nan 8.290 nan 0.000 0.559 417 N N 1.265 120.006 118.700 0.068 0.000 2.235 417 N HA 0.237 4.977 4.740 0.000 0.000 0.209 417 N C 0.242 175.762 175.510 0.017 0.000 1.122 417 N CA 0.480 53.563 53.050 0.055 0.000 0.845 417 N CB 0.090 38.600 38.487 0.038 0.000 1.004 417 N HN 0.529 nan 8.380 nan 0.000 0.499 418 K N 0.087 120.480 120.400 -0.010 0.000 2.156 418 K HA 0.456 4.776 4.320 0.000 0.000 0.250 418 K C -0.563 175.938 176.600 -0.165 0.000 0.955 418 K CA -0.653 55.546 56.287 -0.146 0.000 0.855 418 K CB 2.191 34.532 32.500 -0.265 0.000 1.101 418 K HN -0.035 nan 8.250 nan 0.000 0.434 419 I N 2.758 123.144 120.570 -0.305 0.000 2.410 419 I HA 0.245 4.415 4.170 0.000 0.000 0.286 419 I C -1.020 174.911 176.117 -0.310 0.000 1.009 419 I CA -0.865 60.289 61.300 -0.245 0.000 1.111 419 I CB 0.749 38.552 38.000 -0.329 0.000 1.262 419 I HN 0.421 nan 8.210 nan 0.000 0.443 420 Y N 6.246 126.469 120.300 -0.129 0.000 2.352 420 Y HA 0.566 5.116 4.550 0.000 0.000 0.326 420 Y C 0.085 175.935 175.900 -0.084 0.000 1.166 420 Y CA -0.567 57.465 58.100 -0.113 0.000 1.182 420 Y CB 1.631 40.021 38.460 -0.117 0.000 1.216 420 Y HN 0.423 nan 8.280 nan 0.000 0.474 421 I N 3.513 124.120 120.570 0.061 0.000 2.545 421 I HA 0.421 4.591 4.170 0.000 0.000 0.292 421 I C -1.878 174.354 176.117 0.191 0.000 1.040 421 I CA -0.995 60.341 61.300 0.060 0.000 1.068 421 I CB 1.441 39.387 38.000 -0.090 0.000 1.251 421 I HN 0.674 nan 8.210 nan 0.000 0.424 422 Y N 6.548 126.910 120.300 0.104 0.000 2.425 422 Y HA 0.710 5.260 4.550 0.000 0.000 0.344 422 Y C -0.989 174.949 175.900 0.063 0.000 0.969 422 Y CA -0.393 57.760 58.100 0.088 0.000 1.052 422 Y CB 1.862 40.294 38.460 -0.047 0.000 1.215 422 Y HN 0.630 nan 8.280 nan 0.000 0.451 423 T N 3.650 117.543 114.554 -1.103 0.000 2.912 423 T HA 0.411 4.761 4.350 0.000 0.000 0.299 423 T C -0.867 173.092 174.700 -1.235 0.000 1.052 423 T CA -1.145 60.407 62.100 -0.913 0.000 0.996 423 T CB 1.579 70.297 68.868 -0.251 0.000 1.070 423 T HN 0.960 nan 8.240 nan 0.000 0.465 424 R N 1.730 121.773 120.500 -0.763 0.000 2.522 424 R HA 0.203 4.543 4.340 0.000 0.000 0.284 424 R C -0.271 175.803 176.300 -0.376 0.000 1.032 424 R CA -0.006 55.821 56.100 -0.455 0.000 1.049 424 R CB 0.079 30.251 30.300 -0.213 0.000 0.956 424 R HN 0.664 nan 8.270 nan 0.000 0.422 425 S N 3.288 118.773 115.700 -0.358 0.000 4.183 425 S HA -0.035 4.435 4.470 0.000 0.000 0.195 425 S C 1.148 175.569 174.600 -0.299 0.000 1.421 425 S CA 0.172 58.147 58.200 -0.375 0.000 0.920 425 S CB 0.420 63.365 63.200 -0.424 0.000 1.525 425 S HN 0.796 nan 8.310 nan 0.000 0.447 426 T N -0.578 113.825 114.554 -0.251 0.000 3.113 426 T HA 0.057 4.407 4.350 0.000 0.000 0.263 426 T C 1.016 175.458 174.700 -0.430 0.000 1.143 426 T CA 0.845 62.787 62.100 -0.263 0.000 1.090 426 T CB 0.081 68.850 68.868 -0.165 0.000 0.922 426 T HN 0.369 nan 8.240 nan 0.000 0.521 427 S N -1.127 114.295 115.700 -0.463 0.000 2.841 427 S HA 0.433 4.903 4.470 0.000 0.000 0.274 427 S C 1.161 175.601 174.600 -0.268 0.000 1.044 427 S CA -0.210 57.719 58.200 -0.453 0.000 0.952 427 S CB 0.010 62.937 63.200 -0.456 0.000 1.331 427 S HN 0.576 nan 8.310 nan 0.000 0.610 428 W N 1.608 122.851 121.300 -0.096 0.000 2.374 428 W HA -0.000 4.660 4.660 0.000 0.000 0.288 428 W C 0.918 177.456 176.519 0.032 0.000 1.218 428 W CA 0.769 58.135 57.345 0.035 0.000 1.245 428 W CB -1.368 28.152 29.460 0.100 0.000 1.126 428 W HN 0.646 nan 8.180 nan 0.000 0.545 429 H N 2.822 121.252 119.070 -1.066 0.000 3.109 429 H HA 0.116 4.672 4.556 0.000 0.000 0.266 429 H C 1.273 176.192 175.328 -0.682 0.000 1.334 429 H CA 0.926 56.364 56.048 -1.017 0.000 1.456 429 H CB 0.865 29.646 29.762 -1.634 0.000 1.587 429 H HN 0.082 nan 8.280 nan 0.000 0.500 430 S N 3.510 118.826 115.700 -0.640 0.000 2.501 430 S HA 0.050 4.520 4.470 0.000 0.000 0.220 430 S C 0.614 174.811 174.600 -0.672 0.000 0.997 430 S CA -0.195 57.682 58.200 -0.538 0.000 0.919 430 S CB 0.363 63.372 63.200 -0.318 0.000 0.778 430 S HN 0.476 nan 8.310 nan 0.000 0.523 431 K N 0.923 120.809 120.400 -0.856 0.000 2.168 431 K HA 0.314 4.634 4.320 0.000 0.000 0.258 431 K C -0.356 175.892 176.600 -0.587 0.000 1.010 431 K CA -0.832 55.034 56.287 -0.702 0.000 0.929 431 K CB 0.348 32.488 32.500 -0.600 0.000 0.998 431 K HN 0.194 nan 8.250 nan 0.000 0.479 432 L N 2.403 123.355 121.223 -0.451 0.000 2.678 432 L HA -0.166 4.174 4.340 0.000 0.000 0.285 432 L C -0.551 176.195 176.870 -0.206 0.000 1.233 432 L CA 1.363 56.009 54.840 -0.322 0.000 0.920 432 L CB -0.180 41.634 42.059 -0.408 0.000 1.176 432 L HN 0.458 nan 8.230 nan 0.000 0.495 433 Q N 5.664 125.318 119.800 -0.242 0.000 2.466 433 Q HA 0.521 4.861 4.340 0.000 0.000 0.242 433 Q C -1.281 174.818 176.000 0.165 0.000 1.046 433 Q CA -0.484 55.143 55.803 -0.294 0.000 0.841 433 Q CB 1.447 29.727 28.738 -0.763 0.000 1.193 433 Q HN 0.547 nan 8.270 nan 0.000 0.508 434 L N 1.430 122.949 121.223 0.494 0.000 2.438 434 L HA 0.885 5.225 4.340 0.000 0.000 0.270 434 L C -0.718 176.464 176.870 0.520 0.000 0.972 434 L CA -0.054 55.092 54.840 0.510 0.000 0.831 434 L CB 1.971 44.229 42.059 0.332 0.000 1.273 434 L HN 0.504 nan 8.230 nan 0.000 0.405 435 G N 4.296 113.228 108.800 0.221 0.000 2.619 435 G HA2 0.520 4.480 3.960 0.000 0.000 0.305 435 G HA3 0.520 4.480 3.960 0.000 0.000 0.305 435 G C -1.790 172.980 174.900 -0.217 0.000 1.330 435 G CA -0.716 44.350 45.100 -0.057 0.000 0.789 435 G HN 0.380 nan 8.290 nan 0.000 0.487 436 I N 1.018 121.389 120.570 -0.332 0.000 2.336 436 I HA 0.489 4.659 4.170 0.000 0.000 0.292 436 I C -0.288 175.601 176.117 -0.379 0.000 0.991 436 I CA -0.733 60.323 61.300 -0.408 0.000 1.227 436 I CB 1.159 38.939 38.000 -0.368 0.000 1.366 436 I HN 0.428 nan 8.210 nan 0.000 0.466 437 I N 5.531 125.896 120.570 -0.342 0.000 2.406 437 I HA 0.297 4.467 4.170 0.000 0.000 0.290 437 I C -0.562 175.411 176.117 -0.240 0.000 0.999 437 I CA -0.365 60.762 61.300 -0.289 0.000 1.124 437 I CB 1.570 39.421 38.000 -0.249 0.000 1.289 437 I HN 0.510 nan 8.210 nan 0.000 0.441 438 D N 8.696 128.981 120.400 -0.193 0.000 2.359 438 D HA 0.233 4.873 4.640 0.000 0.000 0.230 438 D C 0.270 176.501 176.300 -0.115 0.000 1.118 438 D CA -0.347 53.561 54.000 -0.152 0.000 0.844 438 D CB 1.044 41.769 40.800 -0.126 0.000 1.059 438 D HN 0.610 nan 8.370 nan 0.000 0.493 439 I N 1.275 121.781 120.570 -0.107 0.000 3.731 439 I HA 0.191 4.361 4.170 0.000 0.000 0.341 439 I C 0.820 176.868 176.117 -0.115 0.000 1.532 439 I CA -0.592 60.690 61.300 -0.030 0.000 1.163 439 I CB 0.416 38.458 38.000 0.071 0.000 1.339 439 I HN -0.018 nan 8.210 nan 0.000 0.449 440 T N 0.505 114.972 114.554 -0.145 0.000 2.701 440 T HA -0.125 4.225 4.350 0.000 0.000 0.263 440 T C 0.659 175.138 174.700 -0.368 0.000 1.040 440 T CA 1.508 63.481 62.100 -0.211 0.000 1.147 440 T CB -0.224 68.561 68.868 -0.138 0.000 0.865 440 T HN 0.537 nan 8.240 nan 0.000 0.426 441 D N -0.030 120.206 120.400 -0.273 0.000 2.473 441 D HA 0.194 4.834 4.640 0.000 0.000 0.226 441 D C 0.476 176.633 176.300 -0.239 0.000 1.089 441 D CA -0.555 53.278 54.000 -0.279 0.000 0.883 441 D CB -0.067 40.643 40.800 -0.151 0.000 1.029 441 D HN 0.371 nan 8.370 nan 0.000 0.517 442 Y N 1.661 121.682 120.300 -0.464 0.000 2.241 442 Y HA -0.258 4.292 4.550 0.000 0.000 0.286 442 Y C 2.523 178.216 175.900 -0.345 0.000 1.166 442 Y CA 0.872 58.550 58.100 -0.705 0.000 1.203 442 Y CB 0.109 37.452 38.460 -1.862 0.000 0.977 442 Y HN 0.441 nan 8.280 nan 0.000 0.529 443 S N -0.907 114.746 115.700 -0.079 0.000 2.561 443 S HA -0.103 4.367 4.470 0.000 0.000 0.225 443 S C 0.289 174.960 174.600 0.117 0.000 0.977 443 S CA 0.863 59.171 58.200 0.180 0.000 0.926 443 S CB 0.048 63.352 63.200 0.174 0.000 0.769 443 S HN 0.343 nan 8.310 nan 0.000 0.533 444 D N 0.611 121.036 120.400 0.040 0.000 2.472 444 D HA 0.319 4.959 4.640 0.000 0.000 0.248 444 D C -0.902 175.399 176.300 0.001 0.000 1.271 444 D CA -0.380 53.637 54.000 0.028 0.000 0.888 444 D CB 0.036 40.839 40.800 0.005 0.000 1.337 444 D HN 0.333 nan 8.370 nan 0.000 0.526 445 I N 2.419 123.006 120.570 0.028 0.000 2.474 445 I HA 0.345 4.515 4.170 0.000 0.000 0.287 445 I C 0.947 177.048 176.117 -0.026 0.000 1.048 445 I CA -0.468 60.834 61.300 0.003 0.000 1.383 445 I CB 0.849 38.873 38.000 0.040 0.000 1.412 445 I HN -0.005 nan 8.210 nan 0.000 0.531 446 R N 6.323 126.781 120.500 -0.070 0.000 2.832 446 R HA 0.763 5.103 4.340 0.000 0.000 0.271 446 R C -1.025 175.171 176.300 -0.174 0.000 0.996 446 R CA -1.016 55.025 56.100 -0.098 0.000 0.977 446 R CB 2.619 32.865 30.300 -0.091 0.000 1.168 446 R HN 0.538 nan 8.270 nan 0.000 0.482 447 I N 1.350 121.783 120.570 -0.229 0.000 2.607 447 I HA 0.219 4.389 4.170 0.000 0.000 0.290 447 I C -0.761 175.094 176.117 -0.436 0.000 1.129 447 I CA -0.727 60.314 61.300 -0.432 0.000 1.042 447 I CB 2.578 40.189 38.000 -0.648 0.000 1.242 447 I HN 0.233 nan 8.210 nan 0.000 0.421 448 K N 6.024 126.173 120.400 -0.418 0.000 2.414 448 K HA 0.349 4.670 4.320 0.000 0.000 0.251 448 K C -1.580 174.894 176.600 -0.211 0.000 1.037 448 K CA -0.292 55.855 56.287 -0.233 0.000 0.980 448 K CB 0.507 32.919 32.500 -0.148 0.000 1.280 448 K HN 0.325 nan 8.250 nan 0.000 0.451 449 W N 2.717 124.043 121.300 0.043 0.000 2.238 449 W HA 0.163 4.823 4.660 0.000 0.000 0.321 449 W C 0.269 176.853 176.519 0.108 0.000 1.293 449 W CA -0.477 56.922 57.345 0.089 0.000 1.204 449 W CB 1.025 30.567 29.460 0.136 0.000 1.167 449 W HN 0.318 nan 8.180 nan 0.000 0.553 450 T N 3.094 117.872 114.554 0.375 0.000 2.817 450 T HA 0.015 4.365 4.350 0.000 0.000 0.293 450 T C -0.793 174.053 174.700 0.243 0.000 0.964 450 T CA -0.465 61.778 62.100 0.237 0.000 1.085 450 T CB 0.280 69.243 68.868 0.159 0.000 0.921 450 T HN 0.351 nan 8.240 nan 0.000 0.502 451 W N 5.336 126.634 121.300 -0.005 0.000 2.303 451 W HA 0.174 4.834 4.660 0.000 0.000 0.318 451 W C -0.270 176.130 176.519 -0.197 0.000 1.362 451 W CA -0.031 57.300 57.345 -0.024 0.000 1.234 451 W CB 0.102 29.555 29.460 -0.010 0.000 1.248 451 W HN 0.595 nan 8.180 nan 0.000 0.546 452 H N 5.232 123.920 119.070 -0.638 0.000 2.589 452 H HA 0.121 4.677 4.556 0.000 0.000 0.351 452 H C -0.112 174.614 175.328 -1.004 0.000 1.074 452 H CA -0.461 55.158 56.048 -0.715 0.000 1.203 452 H CB 2.021 31.564 29.762 -0.366 0.000 1.558 452 H HN 0.529 nan 8.280 nan 0.000 0.522 453 N N 1.805 119.980 118.700 -0.874 0.000 2.197 453 N HA -0.031 4.709 4.740 0.000 0.000 0.201 453 N C 1.097 176.426 175.510 -0.301 0.000 1.148 453 N CA 0.417 53.086 53.050 -0.636 0.000 0.883 453 N CB 0.786 38.866 38.487 -0.678 0.000 1.012 453 N HN 0.362 nan 8.380 nan 0.000 0.507 454 V N -2.601 117.176 119.914 -0.230 0.000 3.359 454 V HA 0.436 4.556 4.120 0.000 0.000 0.245 454 V C 0.637 176.652 176.094 -0.133 0.000 1.247 454 V CA -0.129 62.114 62.300 -0.095 0.000 1.145 454 V CB -0.043 31.779 31.823 -0.001 0.000 0.906 454 V HN -0.087 nan 8.190 nan 0.000 0.464 455 L N 1.975 123.048 121.223 -0.249 0.000 2.319 455 L HA 0.589 4.929 4.340 0.000 0.000 0.280 455 L C 0.349 176.777 176.870 -0.737 0.000 1.099 455 L CA 0.708 55.322 54.840 -0.378 0.000 0.828 455 L CB 1.243 43.097 42.059 -0.342 0.000 1.150 455 L HN 0.451 nan 8.230 nan 0.000 0.442 456 S N 2.851 117.736 115.700 -1.358 0.000 3.359 456 S HA 0.756 5.226 4.470 0.000 0.000 0.323 456 S C -1.401 172.526 174.600 -1.121 0.000 1.143 456 S CA -0.664 56.672 58.200 -1.440 0.000 0.989 456 S CB 1.597 63.580 63.200 -2.028 0.000 1.375 456 S HN 0.705 nan 8.310 nan 0.000 0.728 457 R N 0.866 120.970 120.500 -0.660 0.000 2.710 457 R HA 0.553 4.893 4.340 0.000 0.000 0.270 457 R C -3.492 172.931 176.300 0.207 0.000 1.021 457 R CA -1.906 54.167 56.100 -0.044 0.000 0.889 457 R CB 0.419 30.659 30.300 -0.099 0.000 1.243 457 R HN 0.474 nan 8.270 nan 0.000 0.464 458 P HA 0.277 nan 4.420 nan 0.000 0.278 458 P C -0.456 176.892 177.300 0.079 0.000 1.238 458 P CA 0.097 63.314 63.100 0.196 0.000 0.794 458 P CB 1.648 33.427 31.700 0.131 0.000 0.955 459 G N 2.604 111.434 108.800 0.050 0.000 3.364 459 G HA2 0.410 4.370 3.960 0.000 0.000 0.191 459 G HA3 0.410 4.370 3.960 0.000 0.000 0.191 459 G C -0.324 174.562 174.900 -0.023 0.000 1.352 459 G CA -0.260 44.833 45.100 -0.011 0.000 0.758 459 G HN 0.673 nan 8.290 nan 0.000 0.730 460 N N -1.342 117.325 118.700 -0.055 0.000 3.439 460 N HA 0.230 4.970 4.740 0.000 0.000 0.343 460 N C 0.539 176.004 175.510 -0.075 0.000 1.597 460 N CA -0.693 52.320 53.050 -0.061 0.000 0.733 460 N CB 0.040 38.480 38.487 -0.078 0.000 1.973 460 N HN 0.181 nan 8.380 nan 0.000 0.646 461 N N 0.116 118.770 118.700 -0.076 0.000 2.149 461 N HA -0.153 4.587 4.740 0.000 0.000 0.188 461 N C 0.841 176.285 175.510 -0.110 0.000 1.019 461 N CA 1.548 54.553 53.050 -0.074 0.000 0.857 461 N CB -0.078 38.372 38.487 -0.062 0.000 0.997 461 N HN 0.738 nan 8.380 nan 0.000 0.426 462 E N -0.091 120.016 120.200 -0.155 0.000 2.385 462 E HA 0.024 4.374 4.350 0.000 0.000 0.194 462 E C 0.220 176.504 176.600 -0.528 0.000 1.013 462 E CA 0.282 56.540 56.400 -0.237 0.000 0.866 462 E CB -0.003 29.592 29.700 -0.174 0.000 0.832 462 E HN 0.153 nan 8.360 nan 0.000 0.500 463 c N 3.588 121.944 118.600 -0.407 0.000 3.495 463 c HA 0.412 4.982 4.570 0.000 0.000 0.201 463 c C -2.200 171.797 174.090 -0.155 0.000 1.408 463 c CA -1.337 54.711 56.329 -0.468 0.000 1.367 463 c CB 0.283 42.644 42.510 -0.250 0.000 1.845 463 c HN 0.317 nan 8.230 nan 0.000 0.500 464 P HA 0.033 nan 4.420 nan 0.000 0.307 464 P C 0.097 177.475 177.300 0.131 0.000 1.306 464 P CA -0.294 62.833 63.100 0.044 0.000 0.742 464 P CB 0.578 32.313 31.700 0.059 0.000 1.349 465 W N 0.267 121.542 121.300 -0.041 0.000 2.322 465 W HA 0.223 4.883 4.660 0.000 0.000 0.328 465 W C 0.680 177.177 176.519 -0.037 0.000 1.395 465 W CA 2.040 59.353 57.345 -0.053 0.000 1.267 465 W CB -0.873 28.553 29.460 -0.058 0.000 1.259 465 W HN 0.859 nan 8.180 nan 0.000 0.560 466 G N 3.394 112.055 108.800 -0.231 0.000 2.176 466 G HA2 -0.358 3.602 3.960 0.000 0.000 0.253 466 G HA3 -0.358 3.602 3.960 0.000 0.000 0.253 466 G C 0.103 174.972 174.900 -0.052 0.000 0.979 466 G CA 0.393 45.395 45.100 -0.164 0.000 0.641 466 G HN 0.960 nan 8.290 nan 0.000 0.530 467 H N 1.183 120.198 119.070 -0.091 0.000 2.886 467 H HA 0.490 5.046 4.556 0.000 0.000 0.329 467 H C 1.499 176.803 175.328 -0.040 0.000 1.044 467 H CA 1.217 57.246 56.048 -0.031 0.000 1.456 467 H CB 0.977 30.736 29.762 -0.005 0.000 1.464 467 H HN 0.339 nan 8.280 nan 0.000 0.573 468 S N 2.484 117.951 115.700 -0.390 0.000 2.780 468 S HA 0.221 4.691 4.470 0.000 0.000 0.248 468 S C -0.199 174.412 174.600 0.018 0.000 1.036 468 S CA -0.561 57.565 58.200 -0.123 0.000 1.061 468 S CB -0.576 62.592 63.200 -0.053 0.000 1.037 468 S HN 0.413 nan 8.310 nan 0.000 0.584 469 c N 2.972 121.370 118.600 -0.336 0.000 2.391 469 c HA 0.676 5.246 4.570 0.000 0.000 0.339 469 c C -2.447 171.621 174.090 -0.037 0.000 1.205 469 c CA -1.589 54.650 56.329 -0.151 0.000 1.937 469 c CB 1.088 43.480 42.510 -0.197 0.000 2.341 469 c HN 0.301 nan 8.230 nan 0.000 0.516 470 P HA 0.181 nan 4.420 nan 0.000 0.268 470 P C -0.521 176.579 177.300 -0.334 0.000 1.208 470 P CA 0.813 63.273 63.100 -1.067 0.000 0.777 470 P CB 0.439 31.548 31.700 -0.985 0.000 0.875 471 D N 0.059 120.305 120.400 -0.257 0.000 2.983 471 D HA 0.045 4.685 4.640 0.000 0.000 0.269 471 D C 0.850 177.173 176.300 0.040 0.000 1.121 471 D CA -0.347 53.634 54.000 -0.032 0.000 0.724 471 D CB 0.420 41.260 40.800 0.067 0.000 1.381 471 D HN 0.379 nan 8.370 nan 0.000 0.442 472 G N 0.722 109.533 108.800 0.018 0.000 2.433 472 G HA2 -0.100 3.860 3.960 0.000 0.000 0.216 472 G HA3 -0.100 3.860 3.960 0.000 0.000 0.216 472 G C 1.186 176.071 174.900 -0.025 0.000 1.186 472 G CA 1.115 46.237 45.100 0.036 0.000 0.779 472 G HN 1.253 nan 8.290 nan 0.000 0.543 473 c N -0.019 118.544 118.600 -0.062 0.000 0.911 473 c HA -0.078 4.492 4.570 0.000 0.000 0.517 473 c C 0.453 174.394 174.090 -0.249 0.000 1.301 473 c CA -1.176 55.075 56.329 -0.130 0.000 1.913 473 c CB -1.683 40.756 42.510 -0.118 0.000 3.398 473 c HN 0.397 nan 8.230 nan 0.000 0.545 474 I N 5.670 126.100 120.570 -0.234 0.000 2.464 474 I HA 0.487 4.657 4.170 0.000 0.000 0.277 474 I C 0.574 176.610 176.117 -0.135 0.000 1.040 474 I CA 0.342 61.472 61.300 -0.283 0.000 1.153 474 I CB 1.138 39.114 38.000 -0.040 0.000 1.274 474 I HN 1.068 nan 8.210 nan 0.000 0.469 475 T N 3.161 117.617 114.554 -0.163 0.000 2.597 475 T HA 0.787 5.137 4.350 0.000 0.000 0.247 475 T C 0.143 174.805 174.700 -0.063 0.000 0.894 475 T CA 0.435 62.489 62.100 -0.077 0.000 1.250 475 T CB 0.861 69.678 68.868 -0.084 0.000 1.600 475 T HN 0.900 nan 8.240 nan 0.000 0.456 476 G N -0.103 108.671 108.800 -0.043 0.000 2.796 476 G HA2 0.155 4.115 3.960 0.000 0.000 0.226 476 G HA3 0.155 4.115 3.960 0.000 0.000 0.226 476 G C -0.440 174.487 174.900 0.045 0.000 1.381 476 G CA 0.024 45.105 45.100 -0.032 0.000 0.867 476 G HN 1.682 nan 8.290 nan 0.000 0.552 477 V N -0.818 119.125 119.914 0.049 0.000 3.178 477 V HA 0.689 4.809 4.120 0.000 0.000 0.302 477 V C -0.756 175.362 176.094 0.041 0.000 1.262 477 V CA -0.610 61.775 62.300 0.141 0.000 1.030 477 V CB 1.984 33.924 31.823 0.195 0.000 1.074 477 V HN 1.724 nan 8.190 nan 0.000 0.438 478 Y N 4.068 124.200 120.300 -0.279 0.000 2.436 478 Y HA 0.567 5.117 4.550 0.000 0.000 0.343 478 Y C 0.540 176.330 175.900 -0.184 0.000 1.008 478 Y CA 0.887 58.757 58.100 -0.383 0.000 1.241 478 Y CB 0.945 38.798 38.460 -1.012 0.000 1.153 478 Y HN 0.808 nan 8.280 nan 0.000 0.521 479 T N 2.731 117.152 114.554 -0.221 0.000 3.198 479 T HA 0.198 4.548 4.350 0.000 0.000 0.352 479 T C -0.944 173.396 174.700 -0.600 0.000 1.197 479 T CA -1.051 60.934 62.100 -0.191 0.000 1.427 479 T CB -0.290 68.536 68.868 -0.070 0.000 0.983 479 T HN 0.663 nan 8.240 nan 0.000 0.560 480 D N 2.235 122.033 120.400 -1.005 0.000 2.361 480 D HA 0.502 5.142 4.640 0.000 0.000 0.239 480 D C 0.027 175.863 176.300 -0.773 0.000 1.200 480 D CA -0.586 52.427 54.000 -1.645 0.000 0.915 480 D CB 0.646 40.733 40.800 -1.188 0.000 1.170 480 D HN 0.760 nan 8.370 nan 0.000 0.444 481 A N 0.455 122.869 122.820 -0.677 0.000 2.393 481 A HA 0.477 4.797 4.320 0.000 0.000 0.306 481 A C -1.714 175.764 177.584 -0.176 0.000 1.050 481 A CA -0.888 50.962 52.037 -0.311 0.000 0.724 481 A CB 0.866 19.692 19.000 -0.291 0.000 1.248 481 A HN 0.584 nan 8.150 nan 0.000 0.424 482 Y N 4.253 124.431 120.300 -0.202 0.000 2.326 482 Y HA 0.464 5.014 4.550 0.000 0.000 0.337 482 Y C -2.045 173.734 175.900 -0.201 0.000 1.023 482 Y CA -1.959 56.030 58.100 -0.184 0.000 1.143 482 Y CB 1.540 39.913 38.460 -0.146 0.000 1.183 482 Y HN 0.476 nan 8.280 nan 0.000 0.485 483 P HA 0.035 nan 4.420 nan 0.000 0.271 483 P C -0.131 177.094 177.300 -0.124 0.000 1.226 483 P CA 0.387 63.266 63.100 -0.368 0.000 0.765 483 P CB 1.343 32.520 31.700 -0.870 0.000 0.835 484 L N 1.885 123.068 121.223 -0.068 0.000 2.515 484 L HA 0.106 4.446 4.340 0.000 0.000 0.223 484 L C 1.157 178.008 176.870 -0.031 0.000 1.079 484 L CA 0.437 55.298 54.840 0.036 0.000 0.857 484 L CB -0.328 41.747 42.059 0.026 0.000 1.050 484 L HN 0.454 nan 8.230 nan 0.000 0.476 485 N N -1.523 117.023 118.700 -0.258 0.000 2.381 485 N HA 0.323 5.063 4.740 0.000 0.000 0.294 485 N C -2.436 173.077 175.510 0.004 0.000 1.216 485 N CA -2.223 50.685 53.050 -0.236 0.000 0.803 485 N CB 0.787 38.849 38.487 -0.708 0.000 1.372 485 N HN -0.365 nan 8.380 nan 0.000 0.500 486 P HA -0.236 nan 4.420 nan 0.000 0.219 486 P C 1.155 178.577 177.300 0.203 0.000 1.161 486 P CA 3.060 66.265 63.100 0.175 0.000 0.909 486 P CB -0.136 31.646 31.700 0.136 0.000 0.793 487 T N -5.471 109.152 114.554 0.116 0.000 3.055 487 T HA 0.162 4.512 4.350 0.000 0.000 0.265 487 T C 1.551 176.361 174.700 0.183 0.000 1.111 487 T CA 0.829 62.997 62.100 0.114 0.000 1.118 487 T CB -1.088 67.813 68.868 0.056 0.000 0.909 487 T HN 0.317 nan 8.240 nan 0.000 0.501 488 G N 1.143 110.029 108.800 0.144 0.000 2.136 488 G HA2 -0.315 3.645 3.960 0.000 0.000 0.242 488 G HA3 -0.315 3.645 3.960 0.000 0.000 0.242 488 G C 0.991 175.971 174.900 0.133 0.000 0.989 488 G CA 0.850 46.027 45.100 0.127 0.000 0.682 488 G HN 1.137 nan 8.290 nan 0.000 0.522 489 S N -1.046 114.655 115.700 0.002 0.000 2.489 489 S HA 0.415 4.885 4.470 0.000 0.000 0.228 489 S C 0.928 175.525 174.600 -0.006 0.000 0.995 489 S CA 0.557 58.683 58.200 -0.124 0.000 0.934 489 S CB 0.289 63.419 63.200 -0.118 0.000 0.771 489 S HN 0.593 nan 8.310 nan 0.000 0.522 490 I N 1.364 121.890 120.570 -0.072 0.000 2.406 490 I HA 0.640 4.810 4.170 0.000 0.000 0.290 490 I C -0.722 175.343 176.117 -0.087 0.000 0.999 490 I CA -0.854 60.372 61.300 -0.124 0.000 1.124 490 I CB 1.978 39.716 38.000 -0.438 0.000 1.289 490 I HN 0.046 nan 8.210 nan 0.000 0.441 491 V N 4.617 124.524 119.914 -0.010 0.000 3.181 491 V HA 0.598 4.718 4.120 0.000 0.000 0.308 491 V C -1.102 174.976 176.094 -0.025 0.000 1.214 491 V CA -0.309 61.975 62.300 -0.026 0.000 1.053 491 V CB 2.738 34.511 31.823 -0.082 0.000 1.069 491 V HN 0.734 nan 8.190 nan 0.000 0.441 492 S N 2.066 117.717 115.700 -0.082 0.000 2.502 492 S HA 0.850 5.320 4.470 0.000 0.000 0.304 492 S C -0.917 173.541 174.600 -0.238 0.000 1.097 492 S CA 0.125 58.133 58.200 -0.318 0.000 1.045 492 S CB 1.307 64.323 63.200 -0.308 0.000 1.019 492 S HN 1.350 nan 8.310 nan 0.000 0.481 493 S N 2.865 118.382 115.700 -0.305 0.000 2.552 493 S HA 0.547 5.017 4.470 0.000 0.000 0.272 493 S C -1.830 172.620 174.600 -0.250 0.000 1.150 493 S CA -0.512 57.559 58.200 -0.215 0.000 0.849 493 S CB 1.290 64.358 63.200 -0.221 0.000 1.113 493 S HN 0.651 nan 8.310 nan 0.000 0.458 494 V N 5.096 124.892 119.914 -0.196 0.000 2.333 494 V HA 0.495 4.615 4.120 0.000 0.000 0.274 494 V C 0.310 176.335 176.094 -0.116 0.000 1.028 494 V CA -0.552 61.620 62.300 -0.214 0.000 0.851 494 V CB 0.461 32.160 31.823 -0.207 0.000 1.000 494 V HN 0.710 nan 8.190 nan 0.000 0.456 495 I N 2.840 123.362 120.570 -0.080 0.000 2.676 495 I HA 0.609 4.779 4.170 0.000 0.000 0.309 495 I C -0.567 175.571 176.117 0.036 0.000 0.990 495 I CA -0.859 60.457 61.300 0.026 0.000 1.168 495 I CB 1.750 39.843 38.000 0.155 0.000 1.343 495 I HN 0.337 nan 8.210 nan 0.000 0.482 496 L N 3.359 124.647 121.223 0.110 0.000 2.314 496 L HA 0.244 4.584 4.340 0.000 0.000 0.275 496 L C -0.448 176.447 176.870 0.042 0.000 1.068 496 L CA -0.303 54.571 54.840 0.058 0.000 0.894 496 L CB 0.268 42.375 42.059 0.080 0.000 1.275 496 L HN 0.637 nan 8.230 nan 0.000 0.432 497 D N 2.382 122.710 120.400 -0.119 0.000 2.482 497 D HA 0.130 4.770 4.640 0.000 0.000 0.244 497 D C -0.269 175.790 176.300 -0.401 0.000 1.242 497 D CA 0.683 54.434 54.000 -0.415 0.000 1.097 497 D CB 0.383 40.986 40.800 -0.328 0.000 1.109 497 D HN 0.345 nan 8.370 nan 0.000 0.510 498 S N 2.095 117.549 115.700 -0.409 0.000 2.558 498 S HA 0.116 4.586 4.470 0.000 0.000 0.277 498 S C 0.640 175.150 174.600 -0.150 0.000 1.143 498 S CA -0.710 57.342 58.200 -0.248 0.000 0.865 498 S CB 1.311 64.445 63.200 -0.109 0.000 1.102 498 S HN 0.185 nan 8.310 nan 0.000 0.454 499 Q N 2.476 122.201 119.800 -0.125 0.000 2.002 499 Q HA -0.080 4.260 4.340 0.000 0.000 0.204 499 Q C 0.656 176.688 176.000 0.052 0.000 0.988 499 Q CA 1.868 57.665 55.803 -0.011 0.000 0.843 499 Q CB -0.220 28.500 28.738 -0.030 0.000 0.908 499 Q HN 0.827 nan 8.270 nan 0.000 0.420 500 K N -1.199 119.209 120.400 0.013 0.000 2.788 500 K HA 0.355 4.675 4.320 0.000 0.000 0.190 500 K C -0.608 175.997 176.600 0.008 0.000 1.143 500 K CA -0.129 56.168 56.287 0.017 0.000 1.099 500 K CB 0.861 33.360 32.500 -0.002 0.000 0.767 500 K HN -0.120 nan 8.250 nan 0.000 0.466 501 S N 0.941 116.646 115.700 0.007 0.000 2.536 501 S HA 0.412 4.882 4.470 0.000 0.000 0.287 501 S C -0.458 174.152 174.600 0.016 0.000 1.101 501 S CA -1.088 57.115 58.200 0.006 0.000 0.950 501 S CB 1.812 65.007 63.200 -0.009 0.000 1.056 501 S HN 0.235 nan 8.310 nan 0.000 0.481 502 R N 1.811 122.328 120.500 0.027 0.000 3.247 502 R HA 0.356 4.696 4.340 0.000 0.000 0.212 502 R C -0.065 176.247 176.300 0.021 0.000 1.604 502 R CA -0.209 55.914 56.100 0.039 0.000 1.279 502 R CB -0.554 29.779 30.300 0.055 0.000 1.277 502 R HN 0.545 nan 8.270 nan 0.000 0.669 503 V N -2.199 117.717 119.914 0.003 0.000 3.130 503 V HA 0.426 4.546 4.120 0.000 0.000 0.310 503 V C 0.105 176.177 176.094 -0.036 0.000 1.158 503 V CA -1.192 61.100 62.300 -0.013 0.000 1.029 503 V CB 2.121 33.931 31.823 -0.022 0.000 1.057 503 V HN 0.843 nan 8.190 nan 0.000 0.436 504 N N 1.154 119.828 118.700 -0.044 0.000 2.699 504 N HA -0.077 4.663 4.740 0.000 0.000 0.257 504 N C -2.405 173.055 175.510 -0.085 0.000 1.077 504 N CA 0.387 53.395 53.050 -0.069 0.000 0.702 504 N CB -0.164 38.268 38.487 -0.092 0.000 0.886 504 N HN 0.810 nan 8.380 nan 0.000 0.549 505 P HA 0.097 nan 4.420 nan 0.000 0.268 505 P C -0.522 176.676 177.300 -0.170 0.000 1.204 505 P CA 0.093 63.123 63.100 -0.117 0.000 0.768 505 P CB 1.269 32.889 31.700 -0.132 0.000 0.842 506 V N 5.335 125.148 119.914 -0.169 0.000 2.569 506 V HA 0.281 4.401 4.120 0.000 0.000 0.301 506 V C 0.469 176.427 176.094 -0.227 0.000 1.044 506 V CA -0.679 61.511 62.300 -0.183 0.000 0.874 506 V CB 1.767 33.512 31.823 -0.130 0.000 1.002 506 V HN 0.395 nan 8.190 nan 0.000 0.424 507 I N 4.700 125.093 120.570 -0.295 0.000 2.452 507 I HA 0.416 4.586 4.170 0.000 0.000 0.287 507 I C 0.541 176.513 176.117 -0.243 0.000 1.079 507 I CA 0.554 61.620 61.300 -0.391 0.000 1.387 507 I CB 1.201 38.923 38.000 -0.462 0.000 1.404 507 I HN 0.755 nan 8.210 nan 0.000 0.522 508 T N 4.530 118.919 114.554 -0.275 0.000 2.903 508 T HA 0.541 4.891 4.350 0.000 0.000 0.299 508 T C -1.268 173.272 174.700 -0.267 0.000 1.093 508 T CA -0.570 61.441 62.100 -0.149 0.000 1.002 508 T CB 1.400 70.227 68.868 -0.069 0.000 1.127 508 T HN 0.292 nan 8.240 nan 0.000 0.488 509 Y N 2.002 122.300 120.300 -0.003 0.000 2.331 509 Y HA 0.630 5.180 4.550 0.000 0.000 0.334 509 Y C 0.583 176.498 175.900 0.026 0.000 0.960 509 Y CA -0.313 57.801 58.100 0.024 0.000 1.130 509 Y CB 2.091 40.585 38.460 0.057 0.000 1.164 509 Y HN 1.046 nan 8.280 nan 0.000 0.458 510 S N 0.231 116.001 115.700 0.117 0.000 2.625 510 S HA 0.749 5.219 4.470 0.000 0.000 0.271 510 S C -0.391 174.256 174.600 0.079 0.000 1.161 510 S CA -0.757 57.497 58.200 0.090 0.000 0.820 510 S CB 1.684 64.912 63.200 0.047 0.000 1.137 510 S HN 0.575 nan 8.310 nan 0.000 0.470 511 T N -1.855 112.746 114.554 0.078 0.000 2.888 511 T HA 0.745 5.095 4.350 0.000 0.000 0.283 511 T C 1.502 176.244 174.700 0.069 0.000 1.013 511 T CA -0.287 61.853 62.100 0.066 0.000 0.938 511 T CB 0.468 69.375 68.868 0.065 0.000 1.298 511 T HN 1.295 nan 8.240 nan 0.000 0.580 512 A N 0.180 122.991 122.820 -0.015 0.000 2.015 512 A HA 0.104 4.424 4.320 0.000 0.000 0.219 512 A C 2.225 179.681 177.584 -0.213 0.000 1.163 512 A CA 1.738 53.673 52.037 -0.170 0.000 0.646 512 A CB -1.229 17.591 19.000 -0.301 0.000 0.806 512 A HN 1.096 nan 8.150 nan 0.000 0.448 513 T N -3.983 110.534 114.554 -0.062 0.000 3.040 513 T HA 0.363 4.713 4.350 0.000 0.000 0.266 513 T C 0.005 174.715 174.700 0.017 0.000 1.005 513 T CA 0.242 62.326 62.100 -0.028 0.000 0.906 513 T CB 0.106 69.023 68.868 0.082 0.000 1.082 513 T HN 0.408 nan 8.240 nan 0.000 0.531 514 E N 0.863 121.081 120.200 0.030 0.000 2.311 514 E HA 0.328 4.678 4.350 0.000 0.000 0.281 514 E C -1.225 175.407 176.600 0.054 0.000 0.905 514 E CA -0.737 55.691 56.400 0.046 0.000 0.778 514 E CB 1.503 31.238 29.700 0.058 0.000 1.240 514 E HN 0.173 nan 8.360 nan 0.000 0.410 515 R N 3.595 124.127 120.500 0.053 0.000 2.272 515 R HA 0.148 4.488 4.340 0.000 0.000 0.334 515 R C 0.822 177.160 176.300 0.064 0.000 1.117 515 R CA -0.147 55.987 56.100 0.057 0.000 0.966 515 R CB 0.802 31.133 30.300 0.051 0.000 1.049 515 R HN 0.351 nan 8.270 nan 0.000 0.477 516 V N 1.857 121.822 119.914 0.086 0.000 2.302 516 V HA -0.102 4.018 4.120 0.000 0.000 0.243 516 V C 0.865 177.007 176.094 0.081 0.000 1.036 516 V CA 1.256 63.608 62.300 0.086 0.000 1.020 516 V CB -0.342 31.547 31.823 0.109 0.000 0.657 516 V HN 0.681 nan 8.190 nan 0.000 0.453 517 N N 0.585 119.352 118.700 0.112 0.000 2.500 517 N HA 0.297 5.037 4.740 0.000 0.000 0.291 517 N C -1.200 174.392 175.510 0.138 0.000 1.092 517 N CA -0.337 52.773 53.050 0.100 0.000 0.890 517 N CB 1.891 40.424 38.487 0.078 0.000 1.466 517 N HN 0.720 nan 8.380 nan 0.000 0.507 518 E N 1.432 121.679 120.200 0.077 0.000 2.456 518 E HA 0.656 5.006 4.350 0.000 0.000 0.276 518 E C -1.510 175.097 176.600 0.012 0.000 0.981 518 E CA -1.057 55.373 56.400 0.049 0.000 0.814 518 E CB 2.281 31.985 29.700 0.005 0.000 1.382 518 E HN 0.209 nan 8.360 nan 0.000 0.459 519 L N 0.668 121.874 121.223 -0.030 0.000 2.516 519 L HA 0.652 4.992 4.340 0.000 0.000 0.267 519 L C -1.480 175.332 176.870 -0.097 0.000 0.957 519 L CA -0.350 54.462 54.840 -0.046 0.000 0.860 519 L CB 1.846 43.891 42.059 -0.024 0.000 1.265 519 L HN 0.827 nan 8.230 nan 0.000 0.403 520 A N 5.367 128.136 122.820 -0.084 0.000 2.404 520 A HA 0.359 4.679 4.320 0.000 0.000 0.273 520 A C 1.229 178.745 177.584 -0.115 0.000 1.144 520 A CA -0.148 51.825 52.037 -0.106 0.000 0.806 520 A CB -0.159 18.793 19.000 -0.080 0.000 1.080 520 A HN 0.906 nan 8.150 nan 0.000 0.509 521 I N 1.303 121.764 120.570 -0.181 0.000 2.530 521 I HA -0.197 3.973 4.170 0.000 0.000 0.257 521 I C 1.353 177.435 176.117 -0.058 0.000 1.179 521 I CA 1.336 62.523 61.300 -0.188 0.000 1.440 521 I CB -0.153 37.619 38.000 -0.381 0.000 1.087 521 I HN 0.759 nan 8.210 nan 0.000 0.440 522 L N -1.117 120.074 121.223 -0.054 0.000 3.030 522 L HA 0.251 4.591 4.340 0.000 0.000 0.212 522 L C -1.488 175.363 176.870 -0.031 0.000 1.623 522 L CA -0.063 54.766 54.840 -0.018 0.000 1.465 522 L CB -0.036 42.027 42.059 0.006 0.000 1.738 522 L HN 0.311 nan 8.230 nan 0.000 0.536 523 N N -1.523 117.159 118.700 -0.030 0.000 3.378 523 N HA 0.214 4.954 4.740 0.000 0.000 0.294 523 N C -0.264 175.222 175.510 -0.039 0.000 1.544 523 N CA -0.168 52.859 53.050 -0.039 0.000 0.872 523 N CB 0.340 38.809 38.487 -0.030 0.000 1.670 523 N HN 0.362 nan 8.380 nan 0.000 0.551 524 R N -1.457 119.016 120.500 -0.045 0.000 2.355 524 R HA -0.059 4.281 4.340 0.000 0.000 0.219 524 R C 0.630 176.915 176.300 -0.025 0.000 1.107 524 R CA 1.842 57.916 56.100 -0.043 0.000 1.021 524 R CB -1.042 29.228 30.300 -0.051 0.000 0.852 524 R HN 0.741 nan 8.270 nan 0.000 0.475 525 T N -1.929 112.616 114.554 -0.015 0.000 3.113 525 T HA 0.091 4.441 4.350 0.000 0.000 0.256 525 T C 0.461 175.165 174.700 0.007 0.000 1.131 525 T CA -0.279 61.819 62.100 -0.003 0.000 1.074 525 T CB 0.132 69.001 68.868 0.002 0.000 0.944 525 T HN 0.152 nan 8.240 nan 0.000 0.516 526 L N 2.458 123.684 121.223 0.004 0.000 2.264 526 L HA 0.582 4.922 4.340 0.000 0.000 0.289 526 L C -0.520 176.356 176.870 0.010 0.000 1.044 526 L CA -0.428 54.422 54.840 0.017 0.000 0.807 526 L CB 1.396 43.467 42.059 0.020 0.000 1.192 526 L HN 0.037 nan 8.230 nan 0.000 0.425 527 S N 3.830 119.540 115.700 0.018 0.000 2.554 527 S HA 0.904 5.374 4.470 0.000 0.000 0.278 527 S C -0.329 174.280 174.600 0.014 0.000 1.242 527 S CA -0.288 57.920 58.200 0.013 0.000 1.051 527 S CB 1.381 64.589 63.200 0.013 0.000 0.986 527 S HN 0.915 nan 8.310 nan 0.000 0.502 528 A N 1.709 124.542 122.820 0.021 0.000 2.520 528 A HA 0.812 5.132 4.320 0.000 0.000 0.298 528 A C 0.258 177.877 177.584 0.059 0.000 1.051 528 A CA -0.460 51.598 52.037 0.035 0.000 0.690 528 A CB 1.125 20.147 19.000 0.037 0.000 1.281 528 A HN 0.836 nan 8.150 nan 0.000 0.402 529 G N -0.184 108.659 108.800 0.070 0.000 3.329 529 G HA2 0.460 4.420 3.960 0.000 0.000 0.180 529 G HA3 0.460 4.420 3.960 0.000 0.000 0.180 529 G C -0.010 175.052 174.900 0.270 0.000 1.640 529 G CA -0.578 44.589 45.100 0.111 0.000 1.018 529 G HN 0.669 nan 8.290 nan 0.000 0.581 530 Y N 1.117 121.474 120.300 0.095 0.000 2.702 530 Y HA 0.276 4.827 4.550 0.000 0.000 0.336 530 Y C 1.104 177.095 175.900 0.152 0.000 1.235 530 Y CA 0.206 58.392 58.100 0.143 0.000 1.492 530 Y CB 0.656 39.169 38.460 0.088 0.000 1.308 530 Y HN 0.424 nan 8.280 nan 0.000 0.589 531 T N -0.006 114.744 114.554 0.326 0.000 2.893 531 T HA 0.501 4.851 4.350 0.000 0.000 0.293 531 T C -0.744 174.104 174.700 0.248 0.000 1.027 531 T CA -0.806 61.429 62.100 0.225 0.000 0.988 531 T CB 2.068 71.002 68.868 0.109 0.000 1.043 531 T HN 0.578 nan 8.240 nan 0.000 0.461 532 T N 1.267 115.956 114.554 0.225 0.000 2.933 532 T HA 0.660 5.010 4.350 0.000 0.000 0.305 532 T C -1.268 173.544 174.700 0.185 0.000 1.092 532 T CA -0.343 61.888 62.100 0.219 0.000 1.008 532 T CB 1.835 70.854 68.868 0.251 0.000 1.102 532 T HN 0.854 nan 8.240 nan 0.000 0.469 533 T N 2.868 117.505 114.554 0.138 0.000 2.841 533 T HA 0.630 4.980 4.350 0.000 0.000 0.285 533 T C -1.088 173.668 174.700 0.094 0.000 0.991 533 T CA -0.554 61.619 62.100 0.122 0.000 0.966 533 T CB 1.543 70.494 68.868 0.140 0.000 0.962 533 T HN 0.494 nan 8.240 nan 0.000 0.438 534 S N 1.895 117.588 115.700 -0.012 0.000 2.707 534 S HA 0.559 5.029 4.470 0.000 0.000 0.303 534 S C -0.371 174.022 174.600 -0.345 0.000 1.132 534 S CA -0.590 57.568 58.200 -0.069 0.000 1.046 534 S CB 0.106 63.345 63.200 0.064 0.000 1.004 534 S HN 0.865 nan 8.310 nan 0.000 0.483 535 c N 5.483 123.473 118.600 -1.015 0.000 2.365 535 c HA 0.817 5.388 4.570 0.000 0.000 0.349 535 c C 0.197 173.977 174.090 -0.517 0.000 1.191 535 c CA -0.863 54.992 56.329 -0.790 0.000 2.114 535 c CB -0.247 41.714 42.510 -0.916 0.000 2.367 535 c HN 0.879 nan 8.230 nan 0.000 0.530 536 I N -0.228 120.183 120.570 -0.264 0.000 3.174 536 I HA 0.852 5.022 4.170 0.000 0.000 0.313 536 I C -0.321 175.752 176.117 -0.073 0.000 1.155 536 I CA -0.371 60.859 61.300 -0.118 0.000 0.977 536 I CB 2.342 40.332 38.000 -0.017 0.000 1.248 536 I HN 0.639 nan 8.210 nan 0.000 0.453 537 T N -1.375 113.179 114.554 -0.000 0.000 2.863 537 T HA 0.425 4.775 4.350 0.000 0.000 0.285 537 T C -0.960 173.836 174.700 0.159 0.000 1.009 537 T CA -0.487 61.669 62.100 0.094 0.000 0.989 537 T CB 1.278 70.212 68.868 0.110 0.000 1.004 537 T HN 0.831 nan 8.240 nan 0.000 0.455 538 H N 2.524 121.670 119.070 0.127 0.000 2.792 538 H HA 0.316 4.872 4.556 0.000 0.000 0.298 538 H C -0.251 175.147 175.328 0.117 0.000 1.042 538 H CA -0.895 55.173 56.048 0.033 0.000 1.300 538 H CB 0.203 30.038 29.762 0.123 0.000 1.431 538 H HN 0.862 nan 8.280 nan 0.000 0.496 539 Y N 1.482 121.827 120.300 0.074 0.000 2.850 539 Y HA -0.543 4.007 4.550 0.000 0.000 0.469 539 Y C 1.931 177.870 175.900 0.064 0.000 1.165 539 Y CA 1.663 59.767 58.100 0.006 0.000 2.638 539 Y CB -0.887 37.501 38.460 -0.121 0.000 1.196 539 Y HN 0.716 nan 8.280 nan 0.000 0.625 540 N N 1.431 120.276 118.700 0.243 0.000 2.449 540 N HA 0.033 4.773 4.740 0.000 0.000 0.191 540 N C -0.547 175.058 175.510 0.158 0.000 1.161 540 N CA 0.820 53.963 53.050 0.154 0.000 0.863 540 N CB 0.113 38.648 38.487 0.081 0.000 0.980 540 N HN 0.251 nan 8.380 nan 0.000 0.458 541 K N 0.334 120.858 120.400 0.207 0.000 2.267 541 K HA 0.575 4.895 4.320 0.000 0.000 0.246 541 K C -0.082 176.598 176.600 0.134 0.000 0.954 541 K CA -0.662 55.717 56.287 0.153 0.000 0.824 541 K CB 2.225 34.812 32.500 0.146 0.000 1.167 541 K HN 0.126 nan 8.250 nan 0.000 0.431 542 G N 1.253 110.009 108.800 -0.075 0.000 2.415 542 G HA2 0.631 4.591 3.960 0.000 0.000 0.327 542 G HA3 0.631 4.591 3.960 0.000 0.000 0.327 542 G C -1.445 173.096 174.900 -0.599 0.000 1.182 542 G CA -0.266 44.691 45.100 -0.238 0.000 0.924 542 G HN 0.326 nan 8.290 nan 0.000 0.470 543 Y N -0.444 119.736 120.300 -0.201 0.000 2.512 543 Y HA 0.553 5.103 4.550 0.000 0.000 0.348 543 Y C 0.019 175.674 175.900 -0.410 0.000 0.990 543 Y CA -0.864 57.069 58.100 -0.279 0.000 1.033 543 Y CB 2.346 40.593 38.460 -0.356 0.000 1.259 543 Y HN 0.589 nan 8.280 nan 0.000 0.461 544 c N 2.677 121.095 118.600 -0.303 0.000 2.455 544 c HA 0.611 5.182 4.570 0.000 0.000 0.320 544 c C -0.781 172.854 174.090 -0.759 0.000 1.226 544 c CA -1.158 54.886 56.329 -0.475 0.000 1.569 544 c CB -0.158 42.149 42.510 -0.338 0.000 2.200 544 c HN 0.625 nan 8.230 nan 0.000 0.491 545 F N 3.067 122.730 119.950 -0.478 0.000 2.408 545 F HA 0.434 4.961 4.527 0.000 0.000 0.344 545 F C 0.875 176.392 175.800 -0.471 0.000 1.112 545 F CA -0.081 57.684 58.000 -0.392 0.000 1.096 545 F CB 0.804 39.647 39.000 -0.262 0.000 1.129 545 F HN 0.518 nan 8.300 nan 0.000 0.486 546 H N 4.815 124.008 119.070 0.205 0.000 2.589 546 H HA 0.458 5.014 4.556 0.000 0.000 0.335 546 H C -0.638 174.838 175.328 0.246 0.000 1.019 546 H CA -0.535 55.624 56.048 0.184 0.000 1.213 546 H CB 1.894 31.752 29.762 0.160 0.000 1.472 546 H HN 0.489 nan 8.280 nan 0.000 0.508 547 I N 3.705 124.457 120.570 0.303 0.000 2.339 547 I HA 0.236 4.406 4.170 0.000 0.000 0.290 547 I C -0.211 176.079 176.117 0.288 0.000 0.994 547 I CA -0.788 60.668 61.300 0.259 0.000 1.191 547 I CB 1.571 39.695 38.000 0.207 0.000 1.343 547 I HN 0.143 nan 8.210 nan 0.000 0.458 548 V N 5.794 125.902 119.914 0.324 0.000 2.540 548 V HA 0.268 4.388 4.120 0.000 0.000 0.302 548 V C -0.077 176.148 176.094 0.218 0.000 1.035 548 V CA -0.863 61.597 62.300 0.268 0.000 0.873 548 V CB 1.948 33.925 31.823 0.257 0.000 0.992 548 V HN 0.649 nan 8.190 nan 0.000 0.428 549 E N 4.469 124.770 120.200 0.168 0.000 2.257 549 E HA 0.309 4.659 4.350 0.000 0.000 0.278 549 E C -0.829 175.808 176.600 0.060 0.000 1.049 549 E CA -0.172 56.286 56.400 0.095 0.000 0.876 549 E CB 0.832 30.569 29.700 0.062 0.000 1.035 549 E HN 0.358 nan 8.360 nan 0.000 0.419 550 I N 2.879 123.453 120.570 0.006 0.000 2.525 550 I HA 0.209 4.379 4.170 0.000 0.000 0.301 550 I C 0.298 176.301 176.117 -0.190 0.000 0.992 550 I CA -0.753 60.528 61.300 -0.033 0.000 1.162 550 I CB 1.524 39.540 38.000 0.026 0.000 1.332 550 I HN 0.471 nan 8.210 nan 0.000 0.458 551 N N 4.222 122.852 118.700 -0.116 0.000 2.487 551 N HA 0.204 4.944 4.740 0.000 0.000 0.292 551 N C -0.921 174.548 175.510 -0.069 0.000 1.108 551 N CA -0.238 52.740 53.050 -0.120 0.000 0.956 551 N CB 0.871 39.345 38.487 -0.021 0.000 1.176 551 N HN 0.378 nan 8.380 nan 0.000 0.484 552 H N 3.447 122.537 119.070 0.033 0.000 2.632 552 H HA 0.160 4.716 4.556 0.000 0.000 0.258 552 H C 0.773 176.114 175.328 0.022 0.000 1.278 552 H CA -0.461 55.604 56.048 0.028 0.000 1.352 552 H CB 0.929 30.707 29.762 0.026 0.000 1.418 552 H HN 0.574 nan 8.280 nan 0.000 0.513 553 K N 0.269 120.749 120.400 0.133 0.000 2.218 553 K HA -0.113 4.207 4.320 0.000 0.000 0.205 553 K C 1.151 177.792 176.600 0.067 0.000 1.046 553 K CA 0.983 57.316 56.287 0.077 0.000 0.933 553 K CB -0.117 32.416 32.500 0.056 0.000 0.728 553 K HN 0.080 nan 8.250 nan 0.000 0.454 554 S N 0.714 116.458 115.700 0.073 0.000 2.528 554 S HA -0.057 4.413 4.470 0.000 0.000 0.244 554 S C 0.893 175.521 174.600 0.046 0.000 0.982 554 S CA 1.106 59.332 58.200 0.043 0.000 0.953 554 S CB -0.145 63.065 63.200 0.015 0.000 0.754 554 S HN 0.329 nan 8.310 nan 0.000 0.529 555 L N -0.642 120.621 121.223 0.068 0.000 4.013 555 L HA 0.328 4.668 4.340 0.000 0.000 0.387 555 L C 0.273 177.177 176.870 0.056 0.000 1.204 555 L CA -0.183 54.692 54.840 0.058 0.000 1.313 555 L CB -1.280 40.817 42.059 0.064 0.000 1.538 555 L HN 0.201 nan 8.230 nan 0.000 0.625 556 N N 1.264 119.999 118.700 0.057 0.000 2.725 556 N HA -0.186 4.554 4.740 0.000 0.000 0.251 556 N C -0.246 175.285 175.510 0.035 0.000 1.031 556 N CA 0.781 53.855 53.050 0.041 0.000 0.720 556 N CB -0.161 38.343 38.487 0.029 0.000 0.930 556 N HN 0.631 nan 8.380 nan 0.000 0.543 557 T N -1.932 112.649 114.554 0.046 0.000 2.888 557 T HA 0.760 5.110 4.350 0.000 0.000 0.288 557 T C -0.062 174.619 174.700 -0.031 0.000 1.063 557 T CA -0.964 61.151 62.100 0.026 0.000 1.010 557 T CB 2.316 71.221 68.868 0.062 0.000 1.214 557 T HN 0.133 nan 8.240 nan 0.000 0.533 558 L N 0.855 122.047 121.223 -0.052 0.000 2.362 558 L HA 0.739 5.079 4.340 0.000 0.000 0.271 558 L C -0.901 175.907 176.870 -0.103 0.000 1.002 558 L CA -0.915 53.860 54.840 -0.107 0.000 0.818 558 L CB 2.207 44.224 42.059 -0.070 0.000 1.298 558 L HN 0.751 nan 8.230 nan 0.000 0.420 559 Q N 3.969 123.667 119.800 -0.169 0.000 2.271 559 Q HA 0.487 4.827 4.340 0.000 0.000 0.268 559 Q C -2.756 173.239 176.000 -0.009 0.000 1.021 559 Q CA -1.617 54.147 55.803 -0.065 0.000 0.802 559 Q CB 2.853 31.569 28.738 -0.036 0.000 1.282 559 Q HN 0.124 nan 8.270 nan 0.000 0.431 560 P HA 0.189 nan 4.420 nan 0.000 0.271 560 P C -1.130 176.213 177.300 0.072 0.000 1.216 560 P CA 0.067 63.239 63.100 0.121 0.000 0.771 560 P CB 0.567 32.403 31.700 0.227 0.000 0.864 561 M N 3.443 123.086 119.600 0.072 0.000 2.386 561 M HA 0.379 4.859 4.480 0.000 0.000 0.293 561 M C -1.547 174.670 176.300 -0.139 0.000 1.120 561 M CA -1.267 53.991 55.300 -0.071 0.000 0.909 561 M CB 1.663 34.205 32.600 -0.098 0.000 1.661 561 M HN 0.104 nan 8.290 nan 0.000 0.452 562 L N 4.623 125.678 121.223 -0.279 0.000 2.326 562 L HA 0.648 4.988 4.340 0.000 0.000 0.278 562 L C -1.944 174.676 176.870 -0.416 0.000 1.092 562 L CA 0.515 55.238 54.840 -0.195 0.000 0.810 562 L CB 0.706 42.670 42.059 -0.159 0.000 1.153 562 L HN 0.598 nan 8.230 nan 0.000 0.439 563 F N 3.289 123.310 119.950 0.118 0.000 2.569 563 F HA 0.611 5.138 4.527 0.000 0.000 0.312 563 F C -0.464 175.430 175.800 0.156 0.000 1.109 563 F CA -0.803 57.282 58.000 0.141 0.000 0.919 563 F CB 1.878 40.976 39.000 0.163 0.000 1.211 563 F HN 0.258 nan 8.300 nan 0.000 0.446 564 K N 0.851 121.401 120.400 0.250 0.000 2.371 564 K HA 0.796 5.116 4.320 0.000 0.000 0.251 564 K C -0.675 176.010 176.600 0.142 0.000 0.934 564 K CA -0.856 55.458 56.287 0.044 0.000 0.798 564 K CB 2.104 34.525 32.500 -0.133 0.000 1.204 564 K HN 0.648 nan 8.250 nan 0.000 0.427 565 T N -2.142 112.490 114.554 0.131 0.000 2.883 565 T HA 0.485 4.835 4.350 0.000 0.000 0.296 565 T C -0.964 173.805 174.700 0.114 0.000 1.117 565 T CA -0.980 61.239 62.100 0.198 0.000 1.006 565 T CB 1.723 70.819 68.868 0.380 0.000 1.191 565 T HN 0.522 nan 8.240 nan 0.000 0.508 566 E N 0.733 120.950 120.200 0.028 0.000 2.204 566 E HA 0.468 4.818 4.350 0.000 0.000 0.276 566 E C -0.533 175.909 176.600 -0.263 0.000 0.974 566 E CA -0.981 55.286 56.400 -0.222 0.000 0.815 566 E CB 1.102 30.644 29.700 -0.262 0.000 1.119 566 E HN 0.612 nan 8.360 nan 0.000 0.393 567 I N 6.026 126.394 120.570 -0.336 0.000 2.505 567 I HA 0.075 4.245 4.170 0.000 0.000 0.287 567 I C -1.566 174.343 176.117 -0.347 0.000 1.104 567 I CA -1.457 59.590 61.300 -0.422 0.000 1.387 567 I CB 0.547 38.500 38.000 -0.079 0.000 1.404 567 I HN 0.341 nan 8.210 nan 0.000 0.528 568 P HA -0.045 nan 4.420 nan 0.000 0.262 568 P C -0.243 176.987 177.300 -0.116 0.000 1.647 568 P CA 0.093 63.036 63.100 -0.260 0.000 0.865 568 P CB -0.125 31.413 31.700 -0.270 0.000 1.834 569 K N 1.739 122.109 120.400 -0.051 0.000 2.156 569 K HA 0.392 4.712 4.320 0.000 0.000 0.271 569 K C -0.136 176.352 176.600 -0.186 0.000 0.995 569 K CA -0.145 56.106 56.287 -0.060 0.000 0.890 569 K CB 1.309 33.819 32.500 0.016 0.000 1.073 569 K HN 0.255 nan 8.250 nan 0.000 0.454 570 S N 1.969 117.524 115.700 -0.241 0.000 2.776 570 S HA 0.598 5.068 4.470 0.000 0.000 0.292 570 S C -1.002 173.435 174.600 -0.272 0.000 1.187 570 S CA -0.867 57.198 58.200 -0.225 0.000 0.834 570 S CB 0.946 64.064 63.200 -0.137 0.000 1.199 570 S HN 0.619 nan 8.310 nan 0.000 0.514 571 c N 1.861 120.338 118.600 -0.205 0.000 2.507 571 c HA 1.002 5.572 4.570 0.000 0.000 0.319 571 c C 0.269 174.285 174.090 -0.124 0.000 1.208 571 c CA -0.161 56.054 56.329 -0.191 0.000 1.619 571 c CB 0.927 43.325 42.510 -0.186 0.000 2.230 571 c HN 1.121 nan 8.230 nan 0.000 0.492 572 S N 0.000 115.637 115.700 -0.105 0.000 2.498 572 S HA 0.000 4.470 4.470 0.000 0.000 0.327 572 S CA 0.000 58.159 58.200 -0.069 0.000 1.107 572 S CB 0.000 63.168 63.200 -0.054 0.000 0.593 572 S HN 0.000 nan 8.310 nan 0.000 0.517