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 1v2i_1_A 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 0.000 176.102 176.117 -0.025 0.000 1.063 142 I CA 0.000 61.247 61.300 -0.088 0.000 1.566 142 I CB 0.000 37.959 38.000 -0.068 0.000 1.214 143 T N -0.961 113.597 114.554 0.006 0.000 2.831 143 T HA 0.533 4.883 4.350 0.000 0.000 0.287 143 T C -0.281 174.430 174.700 0.018 0.000 1.070 143 T CA -0.542 61.548 62.100 -0.017 0.000 1.010 143 T CB 0.940 69.791 68.868 -0.028 0.000 1.264 143 T HN 0.220 nan 8.240 nan 0.000 0.532 144 H N 1.153 120.268 119.070 0.075 0.000 3.058 144 H HA 0.131 4.687 4.556 0.000 0.000 0.347 144 H C -0.003 175.331 175.328 0.009 0.000 1.087 144 H CA 0.458 56.531 56.048 0.040 0.000 1.375 144 H CB 0.064 29.843 29.762 0.029 0.000 1.312 144 H HN 0.589 nan 8.280 nan 0.000 0.607 145 D N 0.732 121.199 120.400 0.112 0.000 2.443 145 D HA -0.017 4.623 4.640 0.000 0.000 0.239 145 D C 0.463 176.774 176.300 0.019 0.000 1.136 145 D CA -0.182 53.841 54.000 0.037 0.000 0.879 145 D CB 0.888 41.669 40.800 -0.031 0.000 1.195 145 D HN 0.211 nan 8.370 nan 0.000 0.443 146 V N 2.466 122.410 119.914 0.049 0.000 2.843 146 V HA 0.207 4.327 4.120 0.000 0.000 0.305 146 V C 1.544 177.561 176.094 -0.128 0.000 1.120 146 V CA 1.832 64.154 62.300 0.037 0.000 1.254 146 V CB 0.463 32.364 31.823 0.130 0.000 0.901 146 V HN 0.918 nan 8.190 nan 0.000 0.503 147 G N 4.800 113.428 108.800 -0.287 0.000 2.225 147 G HA2 -0.238 3.722 3.960 0.000 0.000 0.254 147 G HA3 -0.238 3.722 3.960 0.000 0.000 0.254 147 G C 0.150 174.847 174.900 -0.339 0.000 0.988 147 G CA 0.251 44.870 45.100 -0.801 0.000 0.625 147 G HN 0.864 nan 8.290 nan 0.000 0.527 148 I N 1.449 121.912 120.570 -0.180 0.000 2.532 148 I HA 0.585 4.755 4.170 0.000 0.000 0.292 148 I C 0.555 176.634 176.117 -0.063 0.000 1.014 148 I CA 0.004 61.219 61.300 -0.143 0.000 1.340 148 I CB 1.484 39.335 38.000 -0.248 0.000 1.422 148 I HN 0.466 nan 8.210 nan 0.000 0.528 149 K N 4.350 124.723 120.400 -0.046 0.000 2.685 149 K HA 0.462 4.782 4.320 0.000 0.000 0.290 149 K C -3.183 173.437 176.600 0.034 0.000 1.018 149 K CA -1.671 54.630 56.287 0.024 0.000 0.860 149 K CB 0.783 33.328 32.500 0.075 0.000 1.498 149 K HN 0.032 nan 8.250 nan 0.000 0.390 150 P HA -0.007 nan 4.420 nan 0.000 0.266 150 P C -0.572 176.798 177.300 0.117 0.000 1.195 150 P CA -0.322 62.846 63.100 0.113 0.000 0.768 150 P CB 0.410 32.214 31.700 0.174 0.000 0.838 151 L N 3.630 124.904 121.223 0.085 0.000 2.410 151 L HA 0.188 4.528 4.340 0.000 0.000 0.273 151 L C 0.350 177.336 176.870 0.193 0.000 1.144 151 L CA -0.086 54.793 54.840 0.065 0.000 0.863 151 L CB 0.087 42.047 42.059 -0.164 0.000 1.140 151 L HN 0.311 nan 8.230 nan 0.000 0.463 152 N N 6.444 125.254 118.700 0.183 0.000 2.469 152 N HA 0.348 5.088 4.740 0.000 0.000 0.253 152 N C -2.145 173.515 175.510 0.249 0.000 0.970 152 N CA -2.360 50.806 53.050 0.192 0.000 0.940 152 N CB 1.779 40.376 38.487 0.184 0.000 1.128 152 N HN 0.292 nan 8.380 nan 0.000 0.503 153 P HA -0.142 nan 4.420 nan 0.000 0.216 153 P C 0.576 178.069 177.300 0.322 0.000 1.157 153 P CA 1.222 64.490 63.100 0.279 0.000 0.880 153 P CB 0.380 32.175 31.700 0.158 0.000 0.791 154 D N -0.715 119.836 120.400 0.252 0.000 2.133 154 D HA -0.168 4.472 4.640 0.000 0.000 0.195 154 D C 1.367 177.794 176.300 0.211 0.000 0.997 154 D CA 1.289 55.418 54.000 0.215 0.000 0.840 154 D CB -0.543 40.358 40.800 0.167 0.000 0.947 154 D HN 0.246 nan 8.370 nan 0.000 0.452 155 D N -0.723 119.812 120.400 0.225 0.000 2.240 155 D HA -0.055 4.585 4.640 0.000 0.000 0.206 155 D C 1.803 178.240 176.300 0.229 0.000 0.963 155 D CA 0.147 54.266 54.000 0.200 0.000 0.863 155 D CB -0.354 40.560 40.800 0.192 0.000 0.973 155 D HN 0.207 nan 8.370 nan 0.000 0.501 156 F N 0.123 120.172 119.950 0.165 0.000 2.187 156 F HA 0.026 4.553 4.527 0.000 0.000 0.295 156 F C 1.122 177.048 175.800 0.211 0.000 1.091 156 F CA 0.504 58.607 58.000 0.171 0.000 1.308 156 F CB 0.064 39.182 39.000 0.197 0.000 1.030 156 F HN -0.054 nan 8.300 nan 0.000 0.487 157 W N 5.284 126.601 121.300 0.028 0.000 1.564 157 W HA 0.214 4.874 4.660 0.000 0.000 0.448 157 W C -0.552 175.915 176.519 -0.086 0.000 0.601 157 W CA -0.256 57.042 57.345 -0.078 0.000 2.326 157 W CB -0.494 29.032 29.460 0.110 0.000 1.355 157 W HN 0.110 nan 8.180 nan 0.000 0.382 158 R N 0.143 120.462 120.500 -0.301 0.000 2.752 158 R HA 0.689 5.029 4.340 0.000 0.000 0.271 158 R C -1.669 174.455 176.300 -0.294 0.000 1.026 158 R CA -0.701 55.248 56.100 -0.251 0.000 0.901 158 R CB 1.003 31.254 30.300 -0.081 0.000 1.243 158 R HN -0.014 nan 8.270 nan 0.000 0.463 159 c N 0.639 119.106 118.600 -0.222 0.000 2.698 159 c HA 0.429 4.999 4.570 0.000 0.000 0.309 159 c C 1.638 175.655 174.090 -0.121 0.000 1.186 159 c CA -0.123 56.090 56.329 -0.194 0.000 1.474 159 c CB 2.167 44.550 42.510 -0.213 0.000 2.020 159 c HN 1.033 nan 8.230 nan 0.000 0.474 160 T N -1.009 113.486 114.554 -0.098 0.000 2.881 160 T HA -0.020 4.330 4.350 0.000 0.000 0.270 160 T C 0.546 175.208 174.700 -0.064 0.000 1.068 160 T CA 1.403 63.463 62.100 -0.067 0.000 1.131 160 T CB -0.167 68.668 68.868 -0.055 0.000 0.871 160 T HN 1.042 nan 8.240 nan 0.000 0.479 161 S N -0.719 114.934 115.700 -0.078 0.000 2.603 161 S HA 0.656 5.126 4.470 0.000 0.000 0.274 161 S C -0.004 174.545 174.600 -0.086 0.000 1.168 161 S CA -0.206 57.953 58.200 -0.069 0.000 0.963 161 S CB 1.478 64.644 63.200 -0.057 0.000 1.078 161 S HN 1.548 nan 8.310 nan 0.000 0.477 162 G N 1.554 110.306 108.800 -0.080 0.000 2.631 162 G HA2 0.038 3.998 3.960 0.000 0.000 0.504 162 G HA3 0.038 3.998 3.960 0.000 0.000 0.504 162 G C -1.440 173.388 174.900 -0.120 0.000 1.306 162 G CA -0.555 44.490 45.100 -0.092 0.000 0.897 162 G HN 1.178 nan 8.290 nan 0.000 0.520 163 L N 1.601 122.745 121.223 -0.132 0.000 2.346 163 L HA 0.614 4.954 4.340 0.000 0.000 0.274 163 L C -1.824 174.885 176.870 -0.268 0.000 1.007 163 L CA -2.022 52.718 54.840 -0.167 0.000 0.818 163 L CB 2.602 44.603 42.059 -0.097 0.000 1.284 163 L HN 0.536 nan 8.230 nan 0.000 0.424 164 P HA 0.265 nan 4.420 nan 0.000 0.284 164 P C -1.264 175.691 177.300 -0.575 0.000 1.253 164 P CA -0.303 62.334 63.100 -0.771 0.000 0.800 164 P CB 1.715 32.521 31.700 -1.490 0.000 0.961 165 S N 1.854 117.311 115.700 -0.405 0.000 2.547 165 S HA 0.433 4.903 4.470 0.000 0.000 0.270 165 S C -0.643 174.043 174.600 0.143 0.000 1.150 165 S CA -1.016 57.208 58.200 0.040 0.000 0.850 165 S CB 0.583 63.811 63.200 0.046 0.000 1.118 165 S HN 0.248 nan 8.310 nan 0.000 0.461 166 L N 2.667 124.086 121.223 0.327 0.000 2.410 166 L HA 0.325 4.665 4.340 0.000 0.000 0.273 166 L C 0.657 177.589 176.870 0.103 0.000 1.144 166 L CA -0.382 54.596 54.840 0.230 0.000 0.863 166 L CB 0.421 42.625 42.059 0.241 0.000 1.140 166 L HN 0.745 nan 8.230 nan 0.000 0.463 167 M N 1.948 121.571 119.600 0.039 0.000 2.217 167 M HA 0.241 4.721 4.480 0.000 0.000 0.354 167 M C 0.524 176.838 176.300 0.024 0.000 1.225 167 M CA -0.153 55.156 55.300 0.014 0.000 1.137 167 M CB 0.874 33.463 32.600 -0.019 0.000 1.576 167 M HN 0.428 nan 8.290 nan 0.000 0.461 168 K N 1.000 121.415 120.400 0.025 0.000 2.057 168 K HA -0.015 4.305 4.320 0.000 0.000 0.206 168 K C 0.600 177.210 176.600 0.017 0.000 1.050 168 K CA 1.660 57.964 56.287 0.028 0.000 0.935 168 K CB -0.045 32.470 32.500 0.025 0.000 0.715 168 K HN 0.956 nan 8.250 nan 0.000 0.439 169 T N -0.532 114.026 114.554 0.007 0.000 2.903 169 T HA 0.384 4.734 4.350 0.000 0.000 0.299 169 T C -2.872 171.824 174.700 -0.008 0.000 1.093 169 T CA -2.013 60.088 62.100 0.001 0.000 1.002 169 T CB 2.205 71.075 68.868 0.002 0.000 1.127 169 T HN -0.157 nan 8.240 nan 0.000 0.488 170 P HA 0.310 nan 4.420 nan 0.000 0.275 170 P C -0.620 176.679 177.300 -0.001 0.000 1.228 170 P CA -0.637 62.461 63.100 -0.003 0.000 0.786 170 P CB 0.648 32.346 31.700 -0.004 0.000 0.927 171 K N 2.162 122.566 120.400 0.007 0.000 2.469 171 K HA 0.114 4.434 4.320 0.000 0.000 0.274 171 K C 0.975 177.585 176.600 0.017 0.000 0.983 171 K CA -0.147 56.149 56.287 0.016 0.000 0.974 171 K CB 0.006 32.517 32.500 0.018 0.000 0.913 171 K HN 0.542 nan 8.250 nan 0.000 0.493 172 I N -0.028 120.559 120.570 0.030 0.000 3.045 172 I HA 0.049 4.219 4.170 0.000 0.000 0.288 172 I C 0.329 176.474 176.117 0.047 0.000 1.238 172 I CA 0.039 61.362 61.300 0.038 0.000 1.396 172 I CB 0.341 38.399 38.000 0.097 0.000 1.355 172 I HN 0.206 nan 8.210 nan 0.000 0.601 173 R N 4.279 124.812 120.500 0.055 0.000 2.795 173 R HA 0.608 4.948 4.340 0.000 0.000 0.275 173 R C -1.009 175.342 176.300 0.086 0.000 0.981 173 R CA -1.175 54.960 56.100 0.059 0.000 0.917 173 R CB 1.578 31.907 30.300 0.048 0.000 1.202 173 R HN 0.652 nan 8.270 nan 0.000 0.469 174 L N 2.515 123.797 121.223 0.098 0.000 2.380 174 L HA 0.328 4.668 4.340 0.000 0.000 0.273 174 L C 0.693 177.629 176.870 0.110 0.000 1.138 174 L CA 0.047 54.969 54.840 0.136 0.000 0.832 174 L CB 0.387 42.554 42.059 0.181 0.000 1.124 174 L HN 0.297 nan 8.230 nan 0.000 0.454 175 M N 4.430 124.098 119.600 0.113 0.000 2.105 175 M HA 0.276 4.756 4.480 0.000 0.000 0.350 175 M C -2.123 174.214 176.300 0.062 0.000 1.308 175 M CA -1.619 53.728 55.300 0.079 0.000 1.108 175 M CB 0.650 33.292 32.600 0.071 0.000 1.622 175 M HN 0.264 nan 8.290 nan 0.000 0.468 176 P HA 0.527 nan 4.420 nan 0.000 0.274 176 P C -0.045 177.262 177.300 0.012 0.000 1.260 176 P CA -0.081 63.036 63.100 0.028 0.000 0.793 176 P CB 0.674 32.390 31.700 0.026 0.000 1.048 177 G N -0.600 108.198 108.800 -0.003 0.000 2.340 177 G HA2 0.250 4.210 3.960 0.000 0.000 0.527 177 G HA3 0.250 4.210 3.960 0.000 0.000 0.527 177 G C -3.119 171.763 174.900 -0.030 0.000 1.381 177 G CA -0.870 44.223 45.100 -0.012 0.000 1.001 177 G HN 0.581 nan 8.290 nan 0.000 0.626 178 P HA 0.646 nan 4.420 nan 0.000 0.279 178 P C 0.134 177.393 177.300 -0.068 0.000 1.252 178 P CA 0.017 63.087 63.100 -0.050 0.000 0.811 178 P CB 1.739 33.416 31.700 -0.038 0.000 1.035 179 G N 0.619 109.366 108.800 -0.089 0.000 2.495 179 G HA2 0.606 4.566 3.960 0.000 0.000 0.318 179 G HA3 0.606 4.566 3.960 0.000 0.000 0.318 179 G C -1.226 173.614 174.900 -0.100 0.000 1.257 179 G CA -0.762 44.269 45.100 -0.117 0.000 0.962 179 G HN 0.425 nan 8.290 nan 0.000 0.483 180 L N 2.690 123.845 121.223 -0.113 0.000 2.470 180 L HA 0.430 4.771 4.340 0.000 0.000 0.253 180 L C -0.736 176.076 176.870 -0.096 0.000 1.163 180 L CA -0.259 54.535 54.840 -0.078 0.000 0.932 180 L CB 0.720 42.752 42.059 -0.046 0.000 1.213 180 L HN 0.184 nan 8.230 nan 0.000 0.485 181 L N 1.480 122.651 121.223 -0.086 0.000 2.381 181 L HA 0.734 5.074 4.340 0.000 0.000 0.268 181 L C 0.580 177.496 176.870 0.077 0.000 0.997 181 L CA -0.884 53.920 54.840 -0.060 0.000 0.818 181 L CB 2.147 44.090 42.059 -0.192 0.000 1.310 181 L HN 0.471 nan 8.230 nan 0.000 0.416 182 A N 3.595 126.529 122.820 0.190 0.000 2.587 182 A HA 0.360 4.680 4.320 0.000 0.000 0.235 182 A C -0.137 177.504 177.584 0.095 0.000 1.044 182 A CA 0.602 52.715 52.037 0.125 0.000 0.754 182 A CB -0.061 19.018 19.000 0.132 0.000 0.968 182 A HN 0.711 nan 8.150 nan 0.000 0.509 183 M N 2.467 122.097 119.600 0.050 0.000 2.716 183 M HA 0.450 4.930 4.480 0.000 0.000 0.307 183 M C -2.446 173.869 176.300 0.024 0.000 1.223 183 M CA -1.813 53.511 55.300 0.041 0.000 0.871 183 M CB 1.746 34.358 32.600 0.020 0.000 1.739 183 M HN 0.378 nan 8.290 nan 0.000 0.475 184 P HA 0.306 nan 4.420 nan 0.000 0.279 184 P C -0.194 177.107 177.300 0.000 0.000 1.252 184 P CA -0.370 62.741 63.100 0.017 0.000 0.811 184 P CB 0.597 32.318 31.700 0.035 0.000 1.035 185 T N -4.184 110.363 114.554 -0.011 0.000 3.252 185 T HA 0.296 4.646 4.350 0.000 0.000 0.286 185 T C 0.127 174.822 174.700 -0.007 0.000 1.013 185 T CA -0.304 61.785 62.100 -0.018 0.000 0.914 185 T CB -0.804 68.041 68.868 -0.038 0.000 1.131 185 T HN 0.519 nan 8.240 nan 0.000 0.529 186 T N -0.690 113.868 114.554 0.007 0.000 2.896 186 T HA 0.693 5.043 4.350 0.000 0.000 0.297 186 T C -0.125 174.588 174.700 0.021 0.000 1.108 186 T CA -0.677 61.433 62.100 0.015 0.000 1.004 186 T CB 1.562 70.445 68.868 0.026 0.000 1.159 186 T HN 0.497 nan 8.240 nan 0.000 0.499 187 V N 0.201 120.128 119.914 0.022 0.000 2.715 187 V HA 0.315 4.435 4.120 0.000 0.000 0.299 187 V C 0.305 176.419 176.094 0.032 0.000 1.054 187 V CA -0.106 62.209 62.300 0.025 0.000 1.077 187 V CB -0.355 31.481 31.823 0.022 0.000 0.972 187 V HN 1.075 nan 8.190 nan 0.000 0.484 188 D N 1.318 121.740 120.400 0.037 0.000 3.076 188 D HA -0.137 4.503 4.640 0.000 0.000 0.218 188 D C 0.771 177.097 176.300 0.044 0.000 1.156 188 D CA 1.420 55.445 54.000 0.041 0.000 0.921 188 D CB -1.268 39.554 40.800 0.036 0.000 1.113 188 D HN 1.270 nan 8.370 nan 0.000 0.418 189 G N 0.360 109.187 108.800 0.045 0.000 2.398 189 G HA2 0.328 4.288 3.960 0.000 0.000 0.246 189 G HA3 0.328 4.288 3.960 0.000 0.000 0.246 189 G C 0.090 175.022 174.900 0.052 0.000 1.289 189 G CA 0.314 45.443 45.100 0.048 0.000 0.869 189 G HN 0.435 nan 8.290 nan 0.000 0.543 190 c N 4.302 122.933 118.600 0.052 0.000 2.482 190 c HA 0.679 5.249 4.570 0.000 0.000 0.317 190 c C -0.187 173.928 174.090 0.042 0.000 1.197 190 c CA -1.059 55.299 56.329 0.048 0.000 1.432 190 c CB -0.146 42.390 42.510 0.042 0.000 2.062 190 c HN 0.610 nan 8.230 nan 0.000 0.471 191 I N 6.953 127.544 120.570 0.035 0.000 2.354 191 I HA 0.527 4.697 4.170 0.000 0.000 0.292 191 I C -0.052 176.049 176.117 -0.027 0.000 0.989 191 I CA -0.431 60.879 61.300 0.016 0.000 1.188 191 I CB 1.102 39.123 38.000 0.035 0.000 1.342 191 I HN 0.608 nan 8.210 nan 0.000 0.457 192 R N 2.624 123.087 120.500 -0.061 0.000 2.828 192 R HA 0.389 4.729 4.340 0.000 0.000 0.264 192 R C 0.192 176.347 176.300 -0.242 0.000 1.022 192 R CA -0.551 55.475 56.100 -0.124 0.000 1.021 192 R CB 1.113 31.372 30.300 -0.068 0.000 1.163 192 R HN 0.827 nan 8.270 nan 0.000 0.494 193 T N -1.259 113.055 114.554 -0.400 0.000 3.473 193 T HA -0.115 4.235 4.350 0.000 0.000 0.403 193 T C -1.982 172.394 174.700 -0.539 0.000 0.768 193 T CA -0.123 61.633 62.100 -0.574 0.000 2.009 193 T CB -1.603 67.126 68.868 -0.230 0.000 1.715 193 T HN 0.455 nan 8.240 nan 0.000 0.666 194 P HA 0.425 nan 4.420 nan 0.000 0.276 194 P C -0.122 177.129 177.300 -0.081 0.000 1.230 194 P CA -0.080 62.845 63.100 -0.291 0.000 0.776 194 P CB 1.294 32.991 31.700 -0.006 0.000 0.888 195 S N 3.202 118.867 115.700 -0.058 0.000 2.536 195 S HA 0.668 5.138 4.470 0.000 0.000 0.287 195 S C -1.042 173.696 174.600 0.230 0.000 1.101 195 S CA -0.838 57.449 58.200 0.145 0.000 0.950 195 S CB 1.524 64.787 63.200 0.105 0.000 1.056 195 S HN 0.369 nan 8.310 nan 0.000 0.481 196 L N 2.722 124.125 121.223 0.300 0.000 2.362 196 L HA 0.877 5.217 4.340 0.000 0.000 0.275 196 L C -1.215 175.798 176.870 0.239 0.000 0.998 196 L CA -0.649 54.377 54.840 0.310 0.000 0.820 196 L CB 1.776 43.987 42.059 0.254 0.000 1.270 196 L HN 0.783 nan 8.230 nan 0.000 0.415 197 V N 6.628 126.686 119.914 0.241 0.000 2.604 197 V HA 0.678 4.798 4.120 0.000 0.000 0.305 197 V C -0.768 175.459 176.094 0.222 0.000 1.043 197 V CA -0.427 61.998 62.300 0.208 0.000 0.888 197 V CB 1.948 33.880 31.823 0.181 0.000 0.995 197 V HN 0.740 nan 8.190 nan 0.000 0.429 198 I N 6.750 127.443 120.570 0.205 0.000 2.569 198 I HA 0.539 4.709 4.170 0.000 0.000 0.290 198 I C -0.715 175.534 176.117 0.219 0.000 1.088 198 I CA -0.641 60.797 61.300 0.230 0.000 1.047 198 I CB 2.222 40.327 38.000 0.175 0.000 1.237 198 I HN 0.825 nan 8.210 nan 0.000 0.421 199 N N 3.933 122.787 118.700 0.256 0.000 3.201 199 N HA 0.224 4.964 4.740 0.000 0.000 0.344 199 N C 0.131 175.818 175.510 0.294 0.000 1.465 199 N CA -0.684 52.497 53.050 0.219 0.000 0.731 199 N CB 0.281 38.862 38.487 0.157 0.000 1.677 199 N HN 0.596 nan 8.380 nan 0.000 0.631 200 D N -0.870 119.666 120.400 0.226 0.000 2.363 200 D HA -0.014 4.626 4.640 0.000 0.000 0.220 200 D C 1.095 177.550 176.300 0.258 0.000 0.994 200 D CA 0.574 54.729 54.000 0.259 0.000 0.890 200 D CB 0.212 41.114 40.800 0.170 0.000 0.906 200 D HN 0.455 nan 8.370 nan 0.000 0.530 201 L N -0.219 121.037 121.223 0.056 0.000 2.586 201 L HA 0.307 4.647 4.340 0.000 0.000 0.204 201 L C 1.247 177.697 176.870 -0.699 0.000 1.053 201 L CA 0.116 54.838 54.840 -0.198 0.000 0.856 201 L CB 0.272 42.301 42.059 -0.050 0.000 1.192 201 L HN -0.000 nan 8.230 nan 0.000 0.484 202 I N -3.522 116.783 120.570 -0.441 0.000 3.466 202 I HA 0.509 4.679 4.170 0.000 0.000 0.311 202 I C -1.308 174.848 176.117 0.064 0.000 1.155 202 I CA -1.038 60.053 61.300 -0.348 0.000 0.959 202 I CB 2.203 40.028 38.000 -0.291 0.000 1.332 202 I HN -0.033 nan 8.210 nan 0.000 0.483 203 Y N 0.622 120.934 120.300 0.019 0.000 2.588 203 Y HA 0.935 5.485 4.550 0.000 0.000 0.343 203 Y C -1.323 174.580 175.900 0.005 0.000 1.065 203 Y CA -1.131 57.006 58.100 0.062 0.000 1.038 203 Y CB 1.513 40.013 38.460 0.067 0.000 1.297 203 Y HN 0.901 nan 8.280 nan 0.000 0.467 204 A N 2.490 125.364 122.820 0.091 0.000 2.449 204 A HA 0.682 5.002 4.320 0.000 0.000 0.302 204 A C -2.560 175.202 177.584 0.296 0.000 1.048 204 A CA -0.739 51.294 52.037 -0.006 0.000 0.708 204 A CB 1.303 20.293 19.000 -0.016 0.000 1.274 204 A HN 1.010 nan 8.150 nan 0.000 0.410 205 Y N 0.881 121.260 120.300 0.131 0.000 2.391 205 Y HA 0.714 5.264 4.550 0.000 0.000 0.341 205 Y C -0.318 175.644 175.900 0.103 0.000 0.965 205 Y CA -0.221 57.973 58.100 0.156 0.000 1.067 205 Y CB 2.166 40.749 38.460 0.204 0.000 1.199 205 Y HN 0.756 nan 8.280 nan 0.000 0.450 206 T N 4.462 118.712 114.554 -0.506 0.000 2.900 206 T HA 0.770 5.120 4.350 0.000 0.000 0.295 206 T C -1.475 172.881 174.700 -0.573 0.000 1.044 206 T CA -0.287 61.564 62.100 -0.415 0.000 0.995 206 T CB 0.750 69.542 68.868 -0.127 0.000 1.072 206 T HN 0.890 nan 8.240 nan 0.000 0.473 207 S N 3.421 118.897 115.700 -0.374 0.000 2.596 207 S HA 0.561 5.031 4.470 0.000 0.000 0.270 207 S C -1.352 173.186 174.600 -0.103 0.000 1.155 207 S CA -1.064 56.976 58.200 -0.268 0.000 0.827 207 S CB 1.626 64.669 63.200 -0.263 0.000 1.130 207 S HN 0.698 nan 8.310 nan 0.000 0.467 208 N N 0.737 119.391 118.700 -0.076 0.000 2.424 208 N HA 0.432 5.172 4.740 0.000 0.000 0.271 208 N C -1.713 173.812 175.510 0.024 0.000 0.985 208 N CA -0.448 52.595 53.050 -0.012 0.000 0.921 208 N CB 1.156 39.625 38.487 -0.030 0.000 1.149 208 N HN 0.631 nan 8.380 nan 0.000 0.492 209 L N 5.869 127.143 121.223 0.085 0.000 2.272 209 L HA 0.568 4.908 4.340 0.000 0.000 0.289 209 L C -0.940 176.011 176.870 0.136 0.000 1.032 209 L CA -0.408 54.498 54.840 0.110 0.000 0.810 209 L CB 0.799 42.941 42.059 0.138 0.000 1.205 209 L HN 0.431 nan 8.230 nan 0.000 0.422 210 I N 4.726 125.353 120.570 0.095 0.000 2.362 210 I HA 0.227 4.397 4.170 0.000 0.000 0.289 210 I C 1.407 177.580 176.117 0.093 0.000 0.994 210 I CA -0.289 61.062 61.300 0.086 0.000 1.158 210 I CB 1.978 40.010 38.000 0.054 0.000 1.315 210 I HN 0.813 nan 8.210 nan 0.000 0.451 211 T N 3.432 118.053 114.554 0.111 0.000 2.720 211 T HA -0.095 4.255 4.350 0.000 0.000 0.268 211 T C 0.914 175.653 174.700 0.065 0.000 1.037 211 T CA 1.088 63.246 62.100 0.097 0.000 1.144 211 T CB -0.007 68.926 68.868 0.110 0.000 0.864 211 T HN 0.570 nan 8.240 nan 0.000 0.444 212 R N 0.588 121.122 120.500 0.056 0.000 2.514 212 R HA 0.565 4.905 4.340 0.000 0.000 0.296 212 R C 0.255 176.580 176.300 0.042 0.000 1.012 212 R CA -0.178 55.949 56.100 0.045 0.000 0.897 212 R CB 1.837 32.160 30.300 0.040 0.000 1.184 212 R HN 0.579 nan 8.270 nan 0.000 0.440 213 G N 0.737 109.561 108.800 0.041 0.000 2.828 213 G HA2 -0.267 3.693 3.960 0.000 0.000 0.463 213 G HA3 -0.267 3.693 3.960 0.000 0.000 0.463 213 G C 0.352 175.275 174.900 0.040 0.000 1.394 213 G CA -0.359 44.764 45.100 0.039 0.000 0.862 213 G HN 0.684 nan 8.290 nan 0.000 0.540 214 c N 0.140 118.763 118.600 0.038 0.000 2.912 214 c HA 0.347 4.917 4.570 0.000 0.000 0.274 214 c C 1.266 175.378 174.090 0.037 0.000 1.248 214 c CA 0.419 56.770 56.329 0.037 0.000 1.694 214 c CB -0.563 41.969 42.510 0.037 0.000 2.024 214 c HN 0.790 nan 8.230 nan 0.000 0.605 215 Q N 1.817 121.640 119.800 0.039 0.000 2.454 215 Q HA 0.158 4.498 4.340 0.000 0.000 0.247 215 Q C -0.254 175.768 176.000 0.037 0.000 1.028 215 Q CA 0.587 56.414 55.803 0.041 0.000 0.910 215 Q CB 0.346 29.109 28.738 0.041 0.000 1.276 215 Q HN 0.378 nan 8.270 nan 0.000 0.489 216 D N 1.830 122.253 120.400 0.039 0.000 2.325 216 D HA 0.073 4.713 4.640 0.000 0.000 0.251 216 D C 0.007 176.326 176.300 0.032 0.000 1.196 216 D CA -0.246 53.774 54.000 0.034 0.000 0.866 216 D CB 0.383 41.206 40.800 0.038 0.000 1.101 216 D HN 0.520 nan 8.370 nan 0.000 0.476 217 I N 1.604 122.188 120.570 0.024 0.000 3.736 217 I HA 0.424 4.594 4.170 0.000 0.000 0.338 217 I C 0.975 177.099 176.117 0.011 0.000 1.558 217 I CA -0.309 61.004 61.300 0.021 0.000 1.147 217 I CB -0.387 37.626 38.000 0.022 0.000 1.275 217 I HN 0.625 nan 8.210 nan 0.000 0.454 218 G N 2.123 110.929 108.800 0.011 0.000 2.189 218 G HA2 -0.291 3.669 3.960 0.000 0.000 0.267 218 G HA3 -0.291 3.669 3.960 0.000 0.000 0.267 218 G C 0.123 175.010 174.900 -0.022 0.000 0.975 218 G CA 0.506 45.606 45.100 0.000 0.000 0.644 218 G HN 0.584 nan 8.290 nan 0.000 0.537 219 K N -0.055 120.327 120.400 -0.030 0.000 2.535 219 K HA 0.630 4.950 4.320 0.000 0.000 0.251 219 K C -0.544 176.009 176.600 -0.077 0.000 0.942 219 K CA -0.021 56.222 56.287 -0.073 0.000 0.798 219 K CB 2.400 34.852 32.500 -0.079 0.000 1.267 219 K HN 0.701 nan 8.250 nan 0.000 0.434 220 S N 0.757 116.374 115.700 -0.138 0.000 2.587 220 S HA 0.471 4.941 4.470 0.000 0.000 0.269 220 S C -1.707 172.796 174.600 -0.161 0.000 1.154 220 S CA -0.959 57.192 58.200 -0.081 0.000 0.824 220 S CB 0.573 63.771 63.200 -0.003 0.000 1.118 220 S HN 0.457 nan 8.310 nan 0.000 0.462 221 Y N 0.782 121.106 120.300 0.039 0.000 2.331 221 Y HA 0.610 5.160 4.550 0.000 0.000 0.338 221 Y C 0.234 176.175 175.900 0.068 0.000 0.976 221 Y CA -0.408 57.729 58.100 0.062 0.000 1.137 221 Y CB 1.767 40.258 38.460 0.053 0.000 1.172 221 Y HN 0.726 nan 8.280 nan 0.000 0.478 222 Q N 3.050 123.001 119.800 0.251 0.000 2.360 222 Q HA 0.449 4.789 4.340 0.000 0.000 0.254 222 Q C -1.534 174.653 176.000 0.311 0.000 0.975 222 Q CA -0.437 55.482 55.803 0.192 0.000 0.912 222 Q CB 0.872 29.654 28.738 0.074 0.000 1.212 222 Q HN 0.544 nan 8.270 nan 0.000 0.452 223 V N 5.754 125.777 119.914 0.181 0.000 2.333 223 V HA 0.348 4.468 4.120 0.000 0.000 0.274 223 V C -0.616 175.549 176.094 0.119 0.000 1.028 223 V CA -0.898 61.497 62.300 0.158 0.000 0.851 223 V CB 0.992 32.873 31.823 0.096 0.000 1.000 223 V HN 0.665 nan 8.190 nan 0.000 0.456 224 L N 5.267 126.604 121.223 0.190 0.000 2.287 224 L HA 0.550 4.890 4.340 0.000 0.000 0.287 224 L C -0.296 176.633 176.870 0.098 0.000 1.022 224 L CA 0.231 55.168 54.840 0.161 0.000 0.814 224 L CB 1.421 43.671 42.059 0.318 0.000 1.217 224 L HN 0.796 nan 8.230 nan 0.000 0.420 225 Q N 5.125 124.983 119.800 0.097 0.000 2.312 225 Q HA 0.645 4.985 4.340 0.000 0.000 0.263 225 Q C -1.647 174.312 176.000 -0.070 0.000 0.995 225 Q CA -0.625 55.216 55.803 0.063 0.000 0.853 225 Q CB 1.671 30.535 28.738 0.211 0.000 1.300 225 Q HN 0.780 nan 8.270 nan 0.000 0.448 226 I N 2.733 123.181 120.570 -0.203 0.000 2.533 226 I HA 0.693 4.863 4.170 0.000 0.000 0.290 226 I C 0.116 175.953 176.117 -0.467 0.000 1.056 226 I CA -0.594 60.443 61.300 -0.438 0.000 1.057 226 I CB 2.280 40.049 38.000 -0.386 0.000 1.240 226 I HN 0.811 nan 8.210 nan 0.000 0.423 227 G N 5.648 113.933 108.800 -0.858 0.000 2.772 227 G HA2 0.778 4.739 3.960 0.000 0.000 0.284 227 G HA3 0.778 4.739 3.960 0.000 0.000 0.284 227 G C -1.361 173.461 174.900 -0.131 0.000 1.217 227 G CA -0.566 44.326 45.100 -0.346 0.000 0.831 227 G HN 0.680 nan 8.290 nan 0.000 0.523 228 I N -2.486 118.249 120.570 0.275 0.000 3.174 228 I HA 0.716 4.886 4.170 0.000 0.000 0.313 228 I C -1.213 175.176 176.117 0.453 0.000 1.155 228 I CA -1.480 60.045 61.300 0.374 0.000 0.977 228 I CB 2.517 40.638 38.000 0.202 0.000 1.248 228 I HN 0.348 nan 8.210 nan 0.000 0.453 229 I N 2.908 123.801 120.570 0.539 0.000 2.306 229 I HA 0.341 4.511 4.170 0.000 0.000 0.288 229 I C -0.193 175.973 176.117 0.080 0.000 1.036 229 I CA -0.221 61.164 61.300 0.143 0.000 1.221 229 I CB 1.474 39.382 38.000 -0.152 0.000 1.385 229 I HN 0.728 nan 8.210 nan 0.000 0.472 230 T N 2.588 117.159 114.554 0.028 0.000 2.885 230 T HA 0.568 4.918 4.350 0.000 0.000 0.285 230 T C -0.204 174.459 174.700 -0.062 0.000 1.019 230 T CA -0.804 61.291 62.100 -0.007 0.000 1.010 230 T CB 1.950 70.833 68.868 0.025 0.000 1.022 230 T HN 0.101 nan 8.240 nan 0.000 0.466 231 V N 4.174 124.035 119.914 -0.089 0.000 2.521 231 V HA 0.226 4.346 4.120 0.000 0.000 0.286 231 V C 0.801 176.877 176.094 -0.030 0.000 1.034 231 V CA -0.668 61.580 62.300 -0.086 0.000 1.045 231 V CB -0.690 31.112 31.823 -0.035 0.000 0.974 231 V HN 1.051 nan 8.190 nan 0.000 0.480 232 N N 3.388 122.068 118.700 -0.034 0.000 2.514 232 N HA 0.148 4.888 4.740 0.000 0.000 0.299 232 N C 1.245 176.755 175.510 0.001 0.000 1.292 232 N CA -0.164 52.878 53.050 -0.014 0.000 0.963 232 N CB 0.026 38.502 38.487 -0.019 0.000 1.124 232 N HN 0.507 nan 8.380 nan 0.000 0.580 233 S N -2.562 113.140 115.700 0.003 0.000 2.595 233 S HA -0.050 4.420 4.470 0.000 0.000 0.235 233 S C -0.099 174.509 174.600 0.013 0.000 0.974 233 S CA 0.527 58.733 58.200 0.010 0.000 0.942 233 S CB -0.522 62.683 63.200 0.008 0.000 0.766 233 S HN 0.532 nan 8.310 nan 0.000 0.536 234 D N 1.011 121.417 120.400 0.009 0.000 2.440 234 D HA 0.291 4.931 4.640 0.000 0.000 0.216 234 D C 0.511 176.825 176.300 0.023 0.000 1.150 234 D CA -0.094 53.915 54.000 0.016 0.000 0.832 234 D CB 0.361 41.167 40.800 0.011 0.000 0.992 234 D HN 0.337 nan 8.370 nan 0.000 0.502 235 L N 0.030 121.269 121.223 0.026 0.000 3.843 235 L HA -0.206 4.134 4.340 0.000 0.000 0.411 235 L C -0.572 176.318 176.870 0.034 0.000 1.205 235 L CA 0.247 55.117 54.840 0.050 0.000 0.945 235 L CB -2.013 40.088 42.059 0.070 0.000 1.929 235 L HN -0.091 nan 8.230 nan 0.000 0.934 236 V N -1.172 118.714 119.914 -0.045 0.000 2.680 236 V HA 0.511 4.631 4.120 0.000 0.000 0.309 236 V C -1.970 173.972 176.094 -0.254 0.000 1.052 236 V CA -1.546 60.636 62.300 -0.197 0.000 0.908 236 V CB 2.315 34.040 31.823 -0.164 0.000 1.001 236 V HN -0.119 nan 8.190 nan 0.000 0.431 237 P HA 0.297 nan 4.420 nan 0.000 0.269 237 P C -1.159 176.080 177.300 -0.102 0.000 1.209 237 P CA 0.079 63.004 63.100 -0.291 0.000 0.776 237 P CB 0.540 32.010 31.700 -0.383 0.000 0.876 238 D N 0.791 121.187 120.400 -0.007 0.000 2.661 238 D HA 0.322 4.962 4.640 0.000 0.000 0.228 238 D C -0.806 175.447 176.300 -0.077 0.000 1.210 238 D CA -0.514 53.512 54.000 0.043 0.000 0.826 238 D CB 1.397 42.194 40.800 -0.006 0.000 1.542 238 D HN 0.099 nan 8.370 nan 0.000 0.447 239 L N 2.019 123.085 121.223 -0.261 0.000 2.426 239 L HA 0.298 4.638 4.340 0.000 0.000 0.271 239 L C 0.480 177.301 176.870 -0.083 0.000 1.169 239 L CA 0.119 54.704 54.840 -0.426 0.000 0.836 239 L CB 0.364 41.943 42.059 -0.800 0.000 1.112 239 L HN 0.292 nan 8.230 nan 0.000 0.465 240 N N 3.717 122.502 118.700 0.142 0.000 2.577 240 N HA 0.320 5.060 4.740 0.000 0.000 0.275 240 N C -2.643 172.999 175.510 0.219 0.000 1.091 240 N CA -1.349 51.786 53.050 0.143 0.000 0.843 240 N CB 1.939 40.491 38.487 0.108 0.000 1.295 240 N HN 0.302 nan 8.380 nan 0.000 0.530 241 P HA 0.103 nan 4.420 nan 0.000 0.276 241 P C -0.262 177.065 177.300 0.045 0.000 1.235 241 P CA -0.167 62.991 63.100 0.098 0.000 0.772 241 P CB 1.524 33.270 31.700 0.078 0.000 0.871 242 R N 1.735 122.252 120.500 0.027 0.000 2.279 242 R HA 0.306 4.646 4.340 0.000 0.000 0.195 242 R C 0.533 176.838 176.300 0.008 0.000 0.905 242 R CA -0.032 56.095 56.100 0.045 0.000 1.044 242 R CB 0.102 30.483 30.300 0.135 0.000 1.056 242 R HN 0.489 nan 8.270 nan 0.000 0.535 243 I N -1.358 119.192 120.570 -0.033 0.000 2.947 243 I HA 0.328 4.498 4.170 0.000 0.000 0.301 243 I C -1.839 174.170 176.117 -0.179 0.000 1.453 243 I CA -0.729 60.497 61.300 -0.123 0.000 0.984 243 I CB 2.346 40.265 38.000 -0.135 0.000 1.333 243 I HN -0.122 nan 8.210 nan 0.000 0.475 244 S N 3.958 119.488 115.700 -0.282 0.000 2.572 244 S HA 0.685 5.155 4.470 0.000 0.000 0.274 244 S C -1.913 172.489 174.600 -0.330 0.000 1.150 244 S CA -0.496 57.576 58.200 -0.214 0.000 0.944 244 S CB 0.664 63.814 63.200 -0.083 0.000 1.071 244 S HN 0.659 nan 8.310 nan 0.000 0.479 245 H N 2.122 121.145 119.070 -0.078 0.000 2.538 245 H HA 0.456 5.013 4.556 0.000 0.000 0.353 245 H C -0.599 174.615 175.328 -0.191 0.000 1.109 245 H CA -0.326 55.606 56.048 -0.193 0.000 1.192 245 H CB 1.961 31.516 29.762 -0.345 0.000 1.555 245 H HN 0.531 nan 8.280 nan 0.000 0.518 246 T N 4.572 119.099 114.554 -0.045 0.000 2.758 246 T HA 0.311 4.661 4.350 0.000 0.000 0.285 246 T C 0.241 174.912 174.700 -0.047 0.000 0.981 246 T CA -0.484 61.638 62.100 0.035 0.000 0.965 246 T CB 0.092 69.002 68.868 0.071 0.000 0.927 246 T HN 0.169 nan 8.240 nan 0.000 0.448 247 F N 2.286 122.307 119.950 0.119 0.000 2.378 247 F HA 0.282 4.809 4.527 0.000 0.000 0.319 247 F C 1.398 177.234 175.800 0.060 0.000 1.155 247 F CA -0.935 57.101 58.000 0.059 0.000 1.157 247 F CB 0.526 39.535 39.000 0.015 0.000 1.252 247 F HN 0.405 nan 8.300 nan 0.000 0.550 248 N N 2.575 121.390 118.700 0.191 0.000 2.411 248 N HA -0.105 4.635 4.740 0.000 0.000 0.265 248 N C 1.155 176.620 175.510 -0.076 0.000 1.266 248 N CA 0.259 53.341 53.050 0.053 0.000 0.889 248 N CB 0.443 38.952 38.487 0.038 0.000 1.069 248 N HN 0.833 nan 8.380 nan 0.000 0.476 249 I N 3.719 124.112 120.570 -0.295 0.000 2.657 249 I HA -0.278 3.892 4.170 0.000 0.000 0.261 249 I C 0.906 176.864 176.117 -0.264 0.000 1.212 249 I CA 1.348 62.316 61.300 -0.553 0.000 1.453 249 I CB 0.036 37.468 38.000 -0.946 0.000 1.092 249 I HN 0.584 nan 8.210 nan 0.000 0.452 250 N N 0.190 118.801 118.700 -0.148 0.000 2.409 250 N HA -0.095 4.645 4.740 0.000 0.000 0.174 250 N C 1.186 176.659 175.510 -0.062 0.000 1.037 250 N CA 0.583 53.580 53.050 -0.088 0.000 0.898 250 N CB 0.163 38.615 38.487 -0.059 0.000 1.010 250 N HN 0.321 nan 8.380 nan 0.000 0.445 251 D N 0.968 121.337 120.400 -0.051 0.000 2.117 251 D HA -0.146 4.494 4.640 0.000 0.000 0.197 251 D C 0.262 176.534 176.300 -0.047 0.000 0.987 251 D CA 1.059 55.035 54.000 -0.039 0.000 0.829 251 D CB -0.329 40.456 40.800 -0.024 0.000 0.961 251 D HN 0.120 nan 8.370 nan 0.000 0.460 252 N N 0.583 119.248 118.700 -0.058 0.000 2.753 252 N HA -0.182 4.558 4.740 0.000 0.000 0.252 252 N C -0.984 174.501 175.510 -0.042 0.000 1.071 252 N CA 0.183 53.202 53.050 -0.052 0.000 0.690 252 N CB -1.095 37.369 38.487 -0.038 0.000 0.906 252 N HN 0.111 nan 8.380 nan 0.000 0.552 253 R N 0.897 121.360 120.500 -0.063 0.000 2.489 253 R HA 0.218 4.558 4.340 0.000 0.000 0.287 253 R C 0.155 176.426 176.300 -0.049 0.000 1.053 253 R CA 0.161 56.210 56.100 -0.084 0.000 1.036 253 R CB 0.548 30.747 30.300 -0.168 0.000 0.966 253 R HN 0.137 nan 8.270 nan 0.000 0.432 254 K N 0.360 120.747 120.400 -0.022 0.000 2.480 254 K HA 0.179 4.499 4.320 0.000 0.000 0.258 254 K C -0.228 176.385 176.600 0.022 0.000 0.990 254 K CA -0.840 55.451 56.287 0.006 0.000 0.857 254 K CB 2.021 34.546 32.500 0.042 0.000 1.384 254 K HN 0.532 nan 8.250 nan 0.000 0.446 255 S N 0.293 116.007 115.700 0.024 0.000 3.491 255 S HA -0.185 4.285 4.470 0.000 0.000 0.371 255 S C -0.018 174.600 174.600 0.031 0.000 0.980 255 S CA 0.265 58.500 58.200 0.059 0.000 1.204 255 S CB -1.418 61.863 63.200 0.135 0.000 0.915 255 S HN 0.515 nan 8.310 nan 0.000 0.482 256 c N 2.170 120.753 118.600 -0.029 0.000 2.601 256 c HA 0.623 5.193 4.570 0.000 0.000 0.409 256 c C 1.076 175.151 174.090 -0.025 0.000 1.293 256 c CA -0.473 55.815 56.329 -0.070 0.000 2.101 256 c CB 0.914 43.357 42.510 -0.112 0.000 2.639 256 c HN 0.678 nan 8.230 nan 0.000 0.592 257 S N 1.827 117.507 115.700 -0.033 0.000 2.536 257 S HA 0.762 5.232 4.470 0.000 0.000 0.298 257 S C -0.705 174.027 174.600 0.221 0.000 1.083 257 S CA -0.478 57.790 58.200 0.113 0.000 0.995 257 S CB 0.977 64.302 63.200 0.209 0.000 1.058 257 S HN 0.526 nan 8.310 nan 0.000 0.488 258 L N 1.635 123.051 121.223 0.321 0.000 2.322 258 L HA 0.963 5.303 4.340 0.000 0.000 0.269 258 L C -0.176 176.918 176.870 0.373 0.000 1.012 258 L CA -0.778 54.278 54.840 0.360 0.000 0.815 258 L CB 1.677 43.858 42.059 0.203 0.000 1.295 258 L HN 0.742 nan 8.230 nan 0.000 0.438 259 A N 2.044 125.032 122.820 0.279 0.000 2.574 259 A HA 0.835 5.155 4.320 0.000 0.000 0.297 259 A C -1.419 176.200 177.584 0.059 0.000 1.062 259 A CA -0.467 51.576 52.037 0.010 0.000 0.686 259 A CB 1.458 20.184 19.000 -0.457 0.000 1.285 259 A HN 0.567 nan 8.150 nan 0.000 0.403 260 L N 1.306 122.528 121.223 -0.003 0.000 2.334 260 L HA 0.720 5.060 4.340 0.000 0.000 0.273 260 L C -0.643 176.139 176.870 -0.146 0.000 1.013 260 L CA -0.650 54.187 54.840 -0.006 0.000 0.816 260 L CB 1.993 44.068 42.059 0.027 0.000 1.278 260 L HN 0.671 nan 8.230 nan 0.000 0.431 261 L N 3.382 124.483 121.223 -0.203 0.000 2.485 261 L HA 0.397 4.737 4.340 0.000 0.000 0.260 261 L C -0.088 176.658 176.870 -0.208 0.000 0.998 261 L CA 0.052 54.583 54.840 -0.515 0.000 0.883 261 L CB 0.549 42.159 42.059 -0.748 0.000 1.196 261 L HN 0.922 nan 8.230 nan 0.000 0.443 262 N N 1.147 119.788 118.700 -0.099 0.000 1.629 262 N HA -0.335 4.405 4.740 0.000 0.000 0.153 262 N C 0.444 175.951 175.510 -0.006 0.000 0.652 262 N CA 2.127 55.173 53.050 -0.006 0.000 1.156 262 N CB -0.780 37.709 38.487 0.004 0.000 1.324 262 N HN 0.714 nan 8.380 nan 0.000 0.449 263 T N -1.990 112.572 114.554 0.013 0.000 3.092 263 T HA 0.248 4.598 4.350 0.000 0.000 0.258 263 T C -0.664 174.022 174.700 -0.022 0.000 1.031 263 T CA -0.078 62.027 62.100 0.008 0.000 0.925 263 T CB 0.100 69.057 68.868 0.149 0.000 1.036 263 T HN 0.205 nan 8.240 nan 0.000 0.544 264 D N 1.858 122.266 120.400 0.014 0.000 2.249 264 D HA 0.423 5.063 4.640 0.000 0.000 0.246 264 D C -0.467 175.897 176.300 0.107 0.000 1.114 264 D CA -0.335 53.698 54.000 0.056 0.000 0.854 264 D CB 2.080 42.961 40.800 0.135 0.000 1.132 264 D HN 0.076 nan 8.370 nan 0.000 0.461 265 V N 3.531 123.478 119.914 0.054 0.000 2.407 265 V HA 0.158 4.278 4.120 0.000 0.000 0.278 265 V C -0.574 175.614 176.094 0.157 0.000 1.037 265 V CA -0.550 61.815 62.300 0.107 0.000 0.900 265 V CB 0.470 32.310 31.823 0.028 0.000 0.983 265 V HN 0.369 nan 8.190 nan 0.000 0.459 266 Y N 3.565 123.913 120.300 0.081 0.000 2.331 266 Y HA 0.482 5.032 4.550 0.000 0.000 0.338 266 Y C 0.315 176.353 175.900 0.230 0.000 0.976 266 Y CA -0.368 57.832 58.100 0.167 0.000 1.137 266 Y CB 1.493 40.091 38.460 0.229 0.000 1.172 266 Y HN 0.592 nan 8.280 nan 0.000 0.478 267 Q N 4.108 124.009 119.800 0.168 0.000 2.333 267 Q HA 0.578 4.918 4.340 0.000 0.000 0.268 267 Q C -2.063 173.859 176.000 -0.129 0.000 1.007 267 Q CA -1.013 54.808 55.803 0.030 0.000 0.810 267 Q CB 1.415 30.104 28.738 -0.082 0.000 1.264 267 Q HN 0.728 nan 8.270 nan 0.000 0.452 268 L N 4.548 125.579 121.223 -0.320 0.000 2.333 268 L HA 0.645 4.985 4.340 0.000 0.000 0.280 268 L C -1.601 175.066 176.870 -0.339 0.000 1.004 268 L CA -0.077 54.470 54.840 -0.488 0.000 0.820 268 L CB 1.485 42.853 42.059 -1.151 0.000 1.247 268 L HN 0.886 nan 8.230 nan 0.000 0.416 269 c N 1.415 119.868 118.600 -0.245 0.000 3.171 269 c HA 0.757 5.327 4.570 0.000 0.000 0.308 269 c C -0.037 173.980 174.090 -0.122 0.000 1.334 269 c CA -0.906 55.324 56.329 -0.165 0.000 1.473 269 c CB 1.942 44.349 42.510 -0.171 0.000 1.866 269 c HN 0.785 nan 8.230 nan 0.000 0.465 270 S N 0.218 115.885 115.700 -0.055 0.000 2.608 270 S HA 0.778 5.248 4.470 0.000 0.000 0.291 270 S C -0.076 174.511 174.600 -0.021 0.000 1.146 270 S CA -0.068 58.108 58.200 -0.039 0.000 1.043 270 S CB 0.783 64.029 63.200 0.076 0.000 1.037 270 S HN 1.018 nan 8.310 nan 0.000 0.520 271 T N 1.973 116.508 114.554 -0.031 0.000 3.410 271 T HA 0.465 4.815 4.350 0.000 0.000 0.328 271 T C -2.833 171.863 174.700 -0.006 0.000 1.567 271 T CA -1.403 60.685 62.100 -0.020 0.000 1.626 271 T CB 0.787 69.632 68.868 -0.039 0.000 0.939 271 T HN 0.447 nan 8.240 nan 0.000 0.656 272 P HA 0.381 nan 4.420 nan 0.000 0.275 272 P C -0.191 177.133 177.300 0.039 0.000 1.228 272 P CA -0.456 62.677 63.100 0.055 0.000 0.786 272 P CB 1.175 32.975 31.700 0.166 0.000 0.927 273 K N 0.977 121.395 120.400 0.029 0.000 2.438 273 K HA 0.262 4.582 4.320 0.000 0.000 0.205 273 K C 0.341 176.962 176.600 0.035 0.000 1.033 273 K CA -0.173 56.128 56.287 0.023 0.000 1.089 273 K CB 0.201 32.705 32.500 0.006 0.000 0.857 273 K HN 0.478 nan 8.250 nan 0.000 0.522 274 V N -1.706 118.243 119.914 0.059 0.000 3.188 274 V HA 0.471 4.591 4.120 0.000 0.000 0.305 274 V C -0.731 175.427 176.094 0.106 0.000 1.232 274 V CA -1.456 60.887 62.300 0.072 0.000 1.043 274 V CB 2.075 33.940 31.823 0.070 0.000 1.068 274 V HN 0.106 nan 8.190 nan 0.000 0.439 275 D N 0.350 120.816 120.400 0.108 0.000 2.369 275 D HA 0.042 4.682 4.640 0.000 0.000 0.241 275 D C 0.931 177.349 176.300 0.197 0.000 1.271 275 D CA 0.491 54.570 54.000 0.132 0.000 0.942 275 D CB 0.877 41.746 40.800 0.115 0.000 1.129 275 D HN 0.909 nan 8.370 nan 0.000 0.476 276 E N -0.182 120.151 120.200 0.222 0.000 2.058 276 E HA -0.255 4.095 4.350 0.000 0.000 0.194 276 E C 2.051 178.904 176.600 0.421 0.000 0.997 276 E CA 1.113 57.702 56.400 0.316 0.000 0.801 276 E CB 0.108 29.961 29.700 0.255 0.000 0.746 276 E HN 0.379 nan 8.360 nan 0.000 0.450 277 R N -0.065 120.651 120.500 0.360 0.000 2.096 277 R HA -0.073 4.267 4.340 0.000 0.000 0.235 277 R C 2.623 179.103 176.300 0.300 0.000 1.127 277 R CA 1.392 57.713 56.100 0.367 0.000 0.968 277 R CB -0.168 30.279 30.300 0.245 0.000 0.861 277 R HN 0.108 nan 8.270 nan 0.000 0.440 278 S N 0.725 116.557 115.700 0.220 0.000 2.368 278 S HA -0.152 4.318 4.470 0.000 0.000 0.224 278 S C 1.468 176.167 174.600 0.165 0.000 1.029 278 S CA 1.305 59.600 58.200 0.160 0.000 0.988 278 S CB -0.288 62.979 63.200 0.110 0.000 0.838 278 S HN 0.308 nan 8.310 nan 0.000 0.462 279 D N 0.407 120.926 120.400 0.198 0.000 2.116 279 D HA -0.149 4.491 4.640 0.000 0.000 0.193 279 D C 1.574 177.920 176.300 0.077 0.000 0.998 279 D CA 1.418 55.492 54.000 0.123 0.000 0.836 279 D CB -0.263 40.643 40.800 0.177 0.000 0.951 279 D HN 0.442 nan 8.370 nan 0.000 0.449 280 Y N 0.347 120.701 120.300 0.090 0.000 2.352 280 Y HA 0.061 4.611 4.550 0.000 0.000 0.292 280 Y C 2.411 178.354 175.900 0.071 0.000 1.136 280 Y CA 1.013 59.157 58.100 0.073 0.000 1.227 280 Y CB -0.410 38.129 38.460 0.132 0.000 0.991 280 Y HN 0.029 nan 8.280 nan 0.000 0.545 281 A N -0.337 122.620 122.820 0.228 0.000 1.929 281 A HA -0.060 4.260 4.320 0.000 0.000 0.216 281 A C 1.385 179.007 177.584 0.064 0.000 1.176 281 A CA 0.922 53.045 52.037 0.142 0.000 0.628 281 A CB -0.849 18.226 19.000 0.125 0.000 0.816 281 A HN 0.300 nan 8.150 nan 0.000 0.444 282 S N 0.638 116.360 115.700 0.036 0.000 2.513 282 S HA 0.540 5.010 4.470 0.000 0.000 0.276 282 S C -2.883 171.678 174.600 -0.066 0.000 1.254 282 S CA -1.678 56.514 58.200 -0.013 0.000 1.053 282 S CB 0.922 64.114 63.200 -0.014 0.000 0.958 282 S HN 0.095 nan 8.310 nan 0.000 0.491 283 P HA 0.467 nan 4.420 nan 0.000 0.270 283 P C 0.596 177.806 177.300 -0.150 0.000 1.223 283 P CA 0.858 63.878 63.100 -0.133 0.000 0.785 283 P CB 0.123 31.753 31.700 -0.117 0.000 0.923 284 G N 1.007 109.681 108.800 -0.211 0.000 2.721 284 G HA2 -0.068 3.892 3.960 0.000 0.000 0.686 284 G HA3 -0.068 3.892 3.960 0.000 0.000 0.686 284 G C -0.496 174.278 174.900 -0.210 0.000 1.236 284 G CA -0.331 44.642 45.100 -0.211 0.000 0.786 284 G HN 0.712 nan 8.290 nan 0.000 0.616 285 I N -1.731 118.712 120.570 -0.211 0.000 2.793 285 I HA 0.842 5.012 4.170 0.000 0.000 0.313 285 I C 0.229 176.240 176.117 -0.176 0.000 0.998 285 I CA -1.228 59.936 61.300 -0.226 0.000 1.140 285 I CB 1.520 39.386 38.000 -0.222 0.000 1.327 285 I HN 0.456 nan 8.210 nan 0.000 0.491 286 E N 2.369 122.433 120.200 -0.227 0.000 2.373 286 E HA 0.146 4.496 4.350 0.000 0.000 0.263 286 E C -0.832 175.679 176.600 -0.148 0.000 1.073 286 E CA -0.275 56.030 56.400 -0.159 0.000 0.894 286 E CB 0.514 30.122 29.700 -0.155 0.000 1.008 286 E HN 0.537 nan 8.360 nan 0.000 0.420 287 D N 0.812 121.160 120.400 -0.088 0.000 2.443 287 D HA 0.065 4.705 4.640 0.000 0.000 0.234 287 D C -0.021 176.233 176.300 -0.076 0.000 1.172 287 D CA 0.671 54.636 54.000 -0.057 0.000 0.878 287 D CB 0.410 41.186 40.800 -0.039 0.000 1.204 287 D HN 0.224 nan 8.370 nan 0.000 0.453 288 I N 0.906 121.459 120.570 -0.029 0.000 2.545 288 I HA 0.274 4.444 4.170 0.000 0.000 0.292 288 I C -0.721 175.430 176.117 0.056 0.000 1.040 288 I CA -0.902 60.369 61.300 -0.049 0.000 1.068 288 I CB 2.062 39.989 38.000 -0.122 0.000 1.251 288 I HN -0.056 nan 8.210 nan 0.000 0.424 289 V N 6.346 126.253 119.914 -0.011 0.000 2.555 289 V HA 0.440 4.560 4.120 0.000 0.000 0.302 289 V C -0.685 175.395 176.094 -0.023 0.000 1.038 289 V CA -0.724 61.580 62.300 0.006 0.000 0.887 289 V CB 2.207 33.984 31.823 -0.076 0.000 0.991 289 V HN 0.400 nan 8.190 nan 0.000 0.434 290 L N 4.391 125.652 121.223 0.063 0.000 2.305 290 L HA 0.674 5.014 4.340 0.000 0.000 0.284 290 L C -0.790 176.059 176.870 -0.034 0.000 1.013 290 L CA 0.141 55.001 54.840 0.033 0.000 0.819 290 L CB 1.514 43.694 42.059 0.203 0.000 1.227 290 L HN 0.574 nan 8.230 nan 0.000 0.417 291 D N 6.621 126.965 120.400 -0.094 0.000 2.308 291 D HA 0.421 5.061 4.640 0.000 0.000 0.242 291 D C -0.410 175.811 176.300 -0.132 0.000 1.059 291 D CA 0.088 54.038 54.000 -0.083 0.000 0.830 291 D CB 2.262 43.004 40.800 -0.097 0.000 1.161 291 D HN 0.445 nan 8.370 nan 0.000 0.494 292 I N 1.886 122.344 120.570 -0.187 0.000 2.362 292 I HA 0.218 4.388 4.170 0.000 0.000 0.289 292 I C -0.352 175.669 176.117 -0.159 0.000 0.994 292 I CA -0.902 60.181 61.300 -0.361 0.000 1.158 292 I CB 1.815 39.515 38.000 -0.500 0.000 1.315 292 I HN -0.066 nan 8.210 nan 0.000 0.451 293 V N 6.459 126.314 119.914 -0.098 0.000 2.350 293 V HA 0.304 4.424 4.120 0.000 0.000 0.285 293 V C 0.185 176.274 176.094 -0.009 0.000 1.014 293 V CA -0.903 61.386 62.300 -0.017 0.000 0.831 293 V CB 1.131 32.990 31.823 0.060 0.000 1.000 293 V HN 0.655 nan 8.190 nan 0.000 0.433 294 N N 2.226 120.931 118.700 0.009 0.000 2.467 294 N HA 0.096 4.836 4.740 0.000 0.000 0.262 294 N C 0.714 176.294 175.510 0.117 0.000 1.234 294 N CA -0.395 52.685 53.050 0.049 0.000 0.952 294 N CB 1.045 39.560 38.487 0.047 0.000 1.158 294 N HN 0.612 nan 8.380 nan 0.000 0.463 295 Y N 1.602 121.904 120.300 0.003 0.000 2.256 295 Y HA -0.192 4.358 4.550 0.000 0.000 0.288 295 Y C 1.888 177.790 175.900 0.003 0.000 1.155 295 Y CA 1.437 59.534 58.100 -0.005 0.000 1.203 295 Y CB -0.395 38.051 38.460 -0.023 0.000 0.980 295 Y HN 0.602 nan 8.280 nan 0.000 0.530 296 D N -1.424 119.091 120.400 0.193 0.000 2.403 296 D HA -0.016 4.624 4.640 0.000 0.000 0.227 296 D C 1.856 178.229 176.300 0.123 0.000 0.995 296 D CA 1.188 55.247 54.000 0.098 0.000 0.928 296 D CB -0.607 40.221 40.800 0.046 0.000 0.887 296 D HN 0.459 nan 8.370 nan 0.000 0.529 297 G N -0.057 108.854 108.800 0.186 0.000 2.194 297 G HA2 -0.283 3.677 3.960 0.000 0.000 0.236 297 G HA3 -0.283 3.677 3.960 0.000 0.000 0.236 297 G C 0.348 175.301 174.900 0.089 0.000 0.987 297 G CA 0.415 45.686 45.100 0.284 0.000 0.635 297 G HN 0.892 nan 8.290 nan 0.000 0.520 298 S N 0.272 115.991 115.700 0.032 0.000 2.549 298 S HA 0.655 5.125 4.470 0.000 0.000 0.283 298 S C 0.130 174.693 174.600 -0.062 0.000 1.320 298 S CA -0.123 58.059 58.200 -0.030 0.000 1.058 298 S CB 1.302 64.496 63.200 -0.011 0.000 0.882 298 S HN 0.704 nan 8.310 nan 0.000 0.498 299 I N 2.443 122.954 120.570 -0.098 0.000 2.545 299 I HA 0.426 4.596 4.170 0.000 0.000 0.292 299 I C -0.303 175.781 176.117 -0.055 0.000 1.040 299 I CA -0.671 60.579 61.300 -0.083 0.000 1.068 299 I CB 2.475 40.404 38.000 -0.118 0.000 1.251 299 I HN 0.841 nan 8.210 nan 0.000 0.424 300 S N 2.888 118.558 115.700 -0.050 0.000 2.605 300 S HA 0.633 5.103 4.470 0.000 0.000 0.308 300 S C -0.568 174.004 174.600 -0.047 0.000 1.113 300 S CA -0.563 57.607 58.200 -0.050 0.000 1.049 300 S CB 1.597 64.763 63.200 -0.058 0.000 1.001 300 S HN 0.530 nan 8.310 nan 0.000 0.480 301 T N 3.104 117.636 114.554 -0.037 0.000 2.859 301 T HA 0.712 5.062 4.350 0.000 0.000 0.281 301 T C -0.603 174.050 174.700 -0.078 0.000 1.005 301 T CA -0.461 61.615 62.100 -0.041 0.000 1.025 301 T CB 1.625 70.485 68.868 -0.013 0.000 0.977 301 T HN 0.734 nan 8.240 nan 0.000 0.458 302 T N 2.729 117.225 114.554 -0.097 0.000 2.928 302 T HA 0.464 4.814 4.350 0.000 0.000 0.296 302 T C -0.448 174.069 174.700 -0.304 0.000 1.000 302 T CA -0.754 61.209 62.100 -0.229 0.000 0.989 302 T CB 1.587 70.308 68.868 -0.245 0.000 1.005 302 T HN 0.465 nan 8.240 nan 0.000 0.442 303 R N 2.397 122.667 120.500 -0.384 0.000 2.368 303 R HA 0.630 4.970 4.340 0.000 0.000 0.302 303 R C -1.504 174.509 176.300 -0.479 0.000 1.002 303 R CA -0.566 55.365 56.100 -0.281 0.000 0.929 303 R CB 0.552 30.752 30.300 -0.166 0.000 1.073 303 R HN 0.502 nan 8.270 nan 0.000 0.464 304 F N 3.687 123.586 119.950 -0.084 0.000 2.496 304 F HA 0.418 4.945 4.527 0.000 0.000 0.341 304 F C 0.079 175.832 175.800 -0.079 0.000 1.134 304 F CA -0.755 57.194 58.000 -0.086 0.000 0.968 304 F CB 1.741 40.673 39.000 -0.113 0.000 1.205 304 F HN 0.286 nan 8.300 nan 0.000 0.436 305 K N 0.993 121.442 120.400 0.081 0.000 2.148 305 K HA 0.226 4.546 4.320 0.000 0.000 0.239 305 K C 0.827 177.475 176.600 0.080 0.000 1.018 305 K CA -0.723 55.589 56.287 0.041 0.000 0.923 305 K CB 0.973 33.476 32.500 0.005 0.000 1.117 305 K HN 0.510 nan 8.250 nan 0.000 0.477 306 N N 1.221 119.956 118.700 0.059 0.000 2.060 306 N HA -0.237 4.503 4.740 0.000 0.000 0.195 306 N C 1.106 176.724 175.510 0.180 0.000 1.028 306 N CA 1.834 54.957 53.050 0.121 0.000 0.861 306 N CB 0.009 38.495 38.487 -0.001 0.000 1.029 306 N HN 0.438 nan 8.380 nan 0.000 0.428 307 N N -0.092 118.660 118.700 0.088 0.000 2.289 307 N HA -0.099 4.641 4.740 0.000 0.000 0.184 307 N C 0.364 175.921 175.510 0.078 0.000 1.016 307 N CA 1.064 54.158 53.050 0.074 0.000 0.872 307 N CB -0.444 38.062 38.487 0.030 0.000 0.973 307 N HN 0.533 nan 8.380 nan 0.000 0.433 308 N N 0.340 119.092 118.700 0.088 0.000 2.461 308 N HA 0.158 4.898 4.740 0.000 0.000 0.188 308 N C 0.040 175.609 175.510 0.099 0.000 1.134 308 N CA 0.294 53.405 53.050 0.102 0.000 0.878 308 N CB 0.400 38.962 38.487 0.124 0.000 0.972 308 N HN 0.244 nan 8.380 nan 0.000 0.456 309 I N 0.269 120.847 120.570 0.013 0.000 2.460 309 I HA 0.237 4.407 4.170 0.000 0.000 0.298 309 I C -0.169 175.751 176.117 -0.327 0.000 0.989 309 I CA -1.057 60.076 61.300 -0.279 0.000 1.173 309 I CB 1.662 39.270 38.000 -0.654 0.000 1.338 309 I HN -0.029 nan 8.210 nan 0.000 0.456 310 S N 5.084 120.535 115.700 -0.413 0.000 2.438 310 S HA 0.630 5.100 4.470 0.000 0.000 0.293 310 S C -0.793 173.496 174.600 -0.517 0.000 1.141 310 S CA -0.602 57.421 58.200 -0.295 0.000 1.080 310 S CB 0.228 63.300 63.200 -0.213 0.000 0.978 310 S HN 0.298 nan 8.310 nan 0.000 0.479 311 F N 2.082 121.894 119.950 -0.230 0.000 2.450 311 F HA 0.321 4.848 4.527 0.000 0.000 0.332 311 F C 1.353 177.016 175.800 -0.228 0.000 1.093 311 F CA -1.158 56.700 58.000 -0.236 0.000 1.003 311 F CB 1.424 40.361 39.000 -0.104 0.000 1.151 311 F HN 0.638 nan 8.300 nan 0.000 0.474 312 D N 0.204 120.549 120.400 -0.092 0.000 2.312 312 D HA -0.093 4.547 4.640 0.000 0.000 0.211 312 D C -0.118 176.219 176.300 0.063 0.000 0.964 312 D CA 0.737 54.680 54.000 -0.095 0.000 0.877 312 D CB -0.073 40.670 40.800 -0.094 0.000 0.924 312 D HN 0.729 nan 8.370 nan 0.000 0.515 313 Q N -1.375 118.511 119.800 0.144 0.000 2.527 313 Q HA 0.404 4.744 4.340 0.000 0.000 0.280 313 Q C -3.248 172.782 176.000 0.049 0.000 0.977 313 Q CA -1.801 54.057 55.803 0.092 0.000 0.837 313 Q CB 1.733 30.511 28.738 0.067 0.000 1.454 313 Q HN -0.200 nan 8.270 nan 0.000 0.387 314 P HA 0.042 nan 4.420 nan 0.000 0.269 314 P C -1.379 175.689 177.300 -0.387 0.000 1.209 314 P CA 0.259 63.140 63.100 -0.366 0.000 0.776 314 P CB 0.337 31.789 31.700 -0.413 0.000 0.876 315 Y N -0.049 119.840 120.300 -0.686 0.000 2.409 315 Y HA 0.440 4.990 4.550 0.000 0.000 0.343 315 Y C 1.329 176.949 175.900 -0.467 0.000 0.973 315 Y CA -0.552 57.242 58.100 -0.510 0.000 1.064 315 Y CB 1.986 40.159 38.460 -0.478 0.000 1.207 315 Y HN 0.435 nan 8.280 nan 0.000 0.452 316 A N 2.427 125.085 122.820 -0.270 0.000 1.975 316 A HA 0.576 4.896 4.320 0.000 0.000 0.215 316 A C 0.627 177.996 177.584 -0.359 0.000 1.170 316 A CA 1.133 53.006 52.037 -0.274 0.000 0.656 316 A CB -0.068 18.801 19.000 -0.218 0.000 0.821 316 A HN 0.720 nan 8.150 nan 0.000 0.449 317 A N -1.370 121.181 122.820 -0.448 0.000 2.574 317 A HA 0.662 4.982 4.320 0.000 0.000 0.297 317 A C -1.666 175.658 177.584 -0.433 0.000 1.062 317 A CA -0.368 51.302 52.037 -0.613 0.000 0.686 317 A CB 1.193 19.485 19.000 -1.181 0.000 1.285 317 A HN 0.962 nan 8.150 nan 0.000 0.403 318 L N 1.319 122.189 121.223 -0.590 0.000 2.543 318 L HA 0.756 5.096 4.340 0.000 0.000 0.265 318 L C -2.184 174.261 176.870 -0.707 0.000 0.945 318 L CA -0.139 54.418 54.840 -0.472 0.000 0.869 318 L CB 1.471 43.290 42.059 -0.399 0.000 1.294 318 L HN 0.683 nan 8.230 nan 0.000 0.405 319 Y N 4.285 124.332 120.300 -0.421 0.000 2.499 319 Y HA 0.696 5.246 4.550 0.000 0.000 0.347 319 Y C -2.320 173.454 175.900 -0.210 0.000 0.987 319 Y CA -2.295 55.598 58.100 -0.345 0.000 1.044 319 Y CB 1.851 40.050 38.460 -0.435 0.000 1.245 319 Y HN 0.465 nan 8.280 nan 0.000 0.461 320 P HA -0.000 nan 4.420 nan 0.000 0.269 320 P C 0.426 177.888 177.300 0.270 0.000 1.215 320 P CA 0.088 63.222 63.100 0.056 0.000 0.780 320 P CB 0.751 32.407 31.700 -0.074 0.000 0.898 321 S N 0.883 116.775 115.700 0.320 0.000 2.603 321 S HA -0.036 4.434 4.470 0.000 0.000 0.229 321 S C 1.249 176.021 174.600 0.287 0.000 0.972 321 S CA 0.711 59.150 58.200 0.398 0.000 0.935 321 S CB -1.026 62.379 63.200 0.342 0.000 0.769 321 S HN 0.281 nan 8.310 nan 0.000 0.536 322 V N -0.469 119.574 119.914 0.215 0.000 0.542 322 V HA -0.281 3.839 4.120 0.000 0.000 0.092 322 V C 1.627 177.806 176.094 0.141 0.000 2.107 322 V CA 1.652 64.027 62.300 0.125 0.000 3.514 322 V CB -2.323 29.535 31.823 0.059 0.000 0.805 322 V HN 0.890 nan 8.190 nan 0.000 0.840 323 G N 3.401 112.318 108.800 0.195 0.000 2.630 323 G HA2 0.376 4.336 3.960 0.000 0.000 0.236 323 G HA3 0.376 4.336 3.960 0.000 0.000 0.236 323 G C -1.885 173.175 174.900 0.266 0.000 1.248 323 G CA 0.376 45.640 45.100 0.274 0.000 0.844 323 G HN 0.602 nan 8.290 nan 0.000 0.588 324 P HA 0.209 nan 4.420 nan 0.000 0.272 324 P C 0.490 177.908 177.300 0.197 0.000 1.240 324 P CA 0.046 63.285 63.100 0.232 0.000 0.791 324 P CB 1.105 32.923 31.700 0.196 0.000 0.978 325 G N 0.270 109.139 108.800 0.115 0.000 2.795 325 G HA2 0.743 4.703 3.960 0.000 0.000 0.267 325 G HA3 0.743 4.703 3.960 0.000 0.000 0.267 325 G C -0.307 174.517 174.900 -0.128 0.000 1.362 325 G CA -0.997 44.045 45.100 -0.097 0.000 1.048 325 G HN 0.660 nan 8.290 nan 0.000 0.547 326 I N -4.226 116.228 120.570 -0.193 0.000 3.264 326 I HA 0.665 4.835 4.170 0.000 0.000 0.315 326 I C -1.788 174.317 176.117 -0.020 0.000 1.154 326 I CA -1.355 59.905 61.300 -0.066 0.000 0.962 326 I CB 2.652 40.638 38.000 -0.024 0.000 1.265 326 I HN 0.359 nan 8.210 nan 0.000 0.463 327 Y N 3.017 123.270 120.300 -0.079 0.000 2.712 327 Y HA 0.521 5.071 4.550 0.000 0.000 0.328 327 Y C -1.906 174.032 175.900 0.064 0.000 0.995 327 Y CA -1.488 56.571 58.100 -0.068 0.000 1.283 327 Y CB 0.525 38.939 38.460 -0.078 0.000 1.092 327 Y HN 0.540 nan 8.280 nan 0.000 0.519 328 Y N 5.125 125.299 120.300 -0.209 0.000 2.364 328 Y HA 0.370 4.921 4.550 0.000 0.000 0.340 328 Y C 0.497 176.236 175.900 -0.268 0.000 0.975 328 Y CA -1.553 56.411 58.100 -0.227 0.000 1.089 328 Y CB 1.041 39.441 38.460 -0.099 0.000 1.192 328 Y HN 0.620 nan 8.280 nan 0.000 0.454 329 K N 4.575 124.559 120.400 -0.694 0.000 3.078 329 K HA -0.267 4.053 4.320 0.000 0.000 0.261 329 K C 0.841 177.211 176.600 -0.382 0.000 0.947 329 K CA 1.128 57.052 56.287 -0.604 0.000 0.702 329 K CB -1.618 30.430 32.500 -0.754 0.000 1.318 329 K HN 1.292 nan 8.250 nan 0.000 0.473 330 G N -0.549 107.957 108.800 -0.490 0.000 2.176 330 G HA2 -0.278 3.682 3.960 0.000 0.000 0.253 330 G HA3 -0.278 3.682 3.960 0.000 0.000 0.253 330 G C -0.232 174.703 174.900 0.060 0.000 0.979 330 G CA 0.530 45.493 45.100 -0.227 0.000 0.641 330 G HN 0.207 nan 8.290 nan 0.000 0.530 331 K N 0.351 120.757 120.400 0.009 0.000 2.316 331 K HA 0.602 4.922 4.320 0.000 0.000 0.251 331 K C -0.112 176.585 176.600 0.161 0.000 0.934 331 K CA -0.998 55.364 56.287 0.125 0.000 0.802 331 K CB 2.174 34.732 32.500 0.097 0.000 1.171 331 K HN 0.073 nan 8.250 nan 0.000 0.426 332 I N 4.028 124.611 120.570 0.023 0.000 2.371 332 I HA 0.284 4.454 4.170 0.000 0.000 0.290 332 I C 0.271 176.272 176.117 -0.194 0.000 1.028 332 I CA -0.390 60.792 61.300 -0.198 0.000 1.345 332 I CB 0.247 37.889 38.000 -0.597 0.000 1.407 332 I HN 0.427 nan 8.210 nan 0.000 0.501 333 I N 6.965 127.375 120.570 -0.266 0.000 2.498 333 I HA 0.363 4.533 4.170 0.000 0.000 0.290 333 I C -0.752 175.166 176.117 -0.332 0.000 1.032 333 I CA -0.492 60.692 61.300 -0.194 0.000 1.073 333 I CB 1.859 39.818 38.000 -0.068 0.000 1.251 333 I HN 0.262 nan 8.210 nan 0.000 0.426 334 F N 5.398 125.344 119.950 -0.007 0.000 2.507 334 F HA 0.531 5.058 4.527 0.000 0.000 0.327 334 F C -0.220 175.593 175.800 0.021 0.000 1.068 334 F CA -0.935 57.075 58.000 0.016 0.000 0.965 334 F CB 1.707 40.712 39.000 0.009 0.000 1.192 334 F HN 0.205 nan 8.300 nan 0.000 0.476 335 L N 1.655 123.048 121.223 0.283 0.000 2.307 335 L HA 0.837 5.177 4.340 0.000 0.000 0.282 335 L C -0.152 176.859 176.870 0.235 0.000 1.051 335 L CA 0.190 55.157 54.840 0.212 0.000 0.804 335 L CB 0.896 43.078 42.059 0.206 0.000 1.197 335 L HN 0.652 nan 8.230 nan 0.000 0.431 336 G N 3.153 112.071 108.800 0.197 0.000 2.730 336 G HA2 0.632 4.592 3.960 0.000 0.000 0.289 336 G HA3 0.632 4.592 3.960 0.000 0.000 0.289 336 G C -2.000 173.077 174.900 0.294 0.000 1.341 336 G CA -0.391 44.823 45.100 0.190 0.000 0.932 336 G HN 0.781 nan 8.290 nan 0.000 0.481 337 Y N -2.104 118.284 120.300 0.147 0.000 2.597 337 Y HA 0.840 5.390 4.550 0.000 0.000 0.340 337 Y C 0.131 176.157 175.900 0.210 0.000 1.097 337 Y CA -0.542 57.663 58.100 0.175 0.000 1.037 337 Y CB 1.632 40.195 38.460 0.171 0.000 1.305 337 Y HN 1.422 nan 8.280 nan 0.000 0.463 338 G N -0.097 108.794 108.800 0.152 0.000 2.356 338 G HA2 0.466 4.426 3.960 0.000 0.000 0.281 338 G HA3 0.466 4.426 3.960 0.000 0.000 0.281 338 G C -1.424 173.509 174.900 0.056 0.000 1.246 338 G CA -0.335 44.785 45.100 0.034 0.000 0.889 338 G HN 1.322 nan 8.290 nan 0.000 0.486 339 G N -0.260 108.451 108.800 -0.149 0.000 2.530 339 G HA2 0.630 4.590 3.960 0.000 0.000 0.316 339 G HA3 0.630 4.590 3.960 0.000 0.000 0.316 339 G C -0.108 174.595 174.900 -0.330 0.000 1.298 339 G CA -0.635 44.385 45.100 -0.133 0.000 0.948 339 G HN 0.609 nan 8.290 nan 0.000 0.486 340 L N 1.285 122.258 121.223 -0.416 0.000 2.483 340 L HA 0.095 4.435 4.340 0.000 0.000 0.276 340 L C 1.777 178.423 176.870 -0.374 0.000 1.213 340 L CA -0.091 54.406 54.840 -0.571 0.000 0.843 340 L CB 1.119 42.926 42.059 -0.420 0.000 1.107 340 L HN 0.823 nan 8.230 nan 0.000 0.487 341 E N 1.181 121.122 120.200 -0.431 0.000 2.028 341 E HA -0.103 4.247 4.350 0.000 0.000 0.190 341 E C 0.279 176.702 176.600 -0.296 0.000 0.984 341 E CA 0.431 56.606 56.400 -0.375 0.000 0.800 341 E CB 0.271 29.677 29.700 -0.490 0.000 0.758 341 E HN 0.499 nan 8.360 nan 0.000 0.448 342 H N 0.936 119.919 119.070 -0.145 0.000 2.732 342 H HA 0.074 4.630 4.556 0.000 0.000 0.351 342 H C -1.907 173.356 175.328 -0.109 0.000 1.090 342 H CA -2.021 53.963 56.048 -0.108 0.000 1.431 342 H CB 0.454 30.160 29.762 -0.092 0.000 1.447 342 H HN 0.229 nan 8.280 nan 0.000 0.582 343 P HA 0.039 nan 4.420 nan 0.000 0.230 343 P C 0.144 177.424 177.300 -0.034 0.000 1.791 343 P CA -0.297 62.779 63.100 -0.040 0.000 1.020 343 P CB -0.437 31.231 31.700 -0.052 0.000 1.977 344 I N 1.923 122.482 120.570 -0.019 0.000 3.094 344 I HA -0.080 4.090 4.170 0.000 0.000 0.291 344 I C 1.187 177.300 176.117 -0.007 0.000 1.250 344 I CA 0.802 62.096 61.300 -0.009 0.000 1.401 344 I CB -0.404 37.591 38.000 -0.008 0.000 1.343 344 I HN 0.273 nan 8.210 nan 0.000 0.599 345 N N 4.393 123.098 118.700 0.008 0.000 2.813 345 N HA 0.202 4.942 4.740 0.000 0.000 0.282 345 N C -0.579 174.953 175.510 0.036 0.000 1.748 345 N CA -0.222 52.843 53.050 0.026 0.000 0.860 345 N CB 0.898 39.397 38.487 0.019 0.000 1.204 345 N HN 0.564 nan 8.380 nan 0.000 0.490 346 E N 0.337 120.564 120.200 0.046 0.000 2.277 346 E HA 0.206 4.556 4.350 0.000 0.000 0.274 346 E C -0.340 176.295 176.600 0.059 0.000 1.022 346 E CA -0.429 55.999 56.400 0.047 0.000 0.853 346 E CB 1.389 31.116 29.700 0.045 0.000 1.086 346 E HN 0.219 nan 8.360 nan 0.000 0.397 347 N N 1.779 120.510 118.700 0.051 0.000 2.421 347 N HA 0.039 4.779 4.740 0.000 0.000 0.260 347 N C -0.140 175.407 175.510 0.061 0.000 1.173 347 N CA -0.465 52.618 53.050 0.055 0.000 0.960 347 N CB 0.464 38.976 38.487 0.043 0.000 1.273 347 N HN 0.238 nan 8.380 nan 0.000 0.497 348 V N 1.585 121.549 119.914 0.083 0.000 3.287 348 V HA 0.136 4.256 4.120 0.000 0.000 0.306 348 V C 0.908 177.049 176.094 0.077 0.000 1.103 348 V CA -0.868 61.484 62.300 0.087 0.000 1.159 348 V CB 0.545 32.451 31.823 0.138 0.000 1.036 348 V HN 0.519 nan 8.190 nan 0.000 0.487 349 I N 2.507 123.085 120.570 0.014 0.000 2.775 349 I HA 0.298 4.468 4.170 0.000 0.000 0.290 349 I C 0.092 176.287 176.117 0.131 0.000 1.203 349 I CA 0.808 62.085 61.300 -0.039 0.000 1.433 349 I CB 0.102 37.898 38.000 -0.340 0.000 1.354 349 I HN 1.060 nan 8.210 nan 0.000 0.579 350 c N 7.308 126.019 118.600 0.185 0.000 3.241 350 c HA 0.527 5.097 4.570 0.000 0.000 0.348 350 c C -1.364 172.882 174.090 0.260 0.000 1.180 350 c CA -0.646 55.868 56.329 0.308 0.000 1.273 350 c CB 1.538 44.143 42.510 0.157 0.000 1.620 350 c HN 0.873 nan 8.230 nan 0.000 0.510 351 N N 1.383 120.277 118.700 0.324 0.000 2.599 351 N HA 0.313 5.053 4.740 0.000 0.000 0.283 351 N C 0.049 175.651 175.510 0.152 0.000 1.160 351 N CA 0.212 53.403 53.050 0.234 0.000 0.869 351 N CB 1.786 40.459 38.487 0.311 0.000 1.448 351 N HN 0.850 nan 8.380 nan 0.000 0.535 352 T N -1.288 113.301 114.554 0.057 0.000 3.134 352 T HA 0.178 4.528 4.350 0.000 0.000 0.260 352 T C 0.391 175.097 174.700 0.010 0.000 1.027 352 T CA -0.098 61.998 62.100 -0.006 0.000 0.913 352 T CB -0.382 68.463 68.868 -0.038 0.000 1.046 352 T HN 0.271 nan 8.240 nan 0.000 0.553 353 T N 2.294 116.872 114.554 0.041 0.000 2.940 353 T HA 0.427 4.777 4.350 0.000 0.000 0.309 353 T C 1.502 176.216 174.700 0.024 0.000 1.056 353 T CA 0.781 62.898 62.100 0.029 0.000 1.137 353 T CB 0.241 69.132 68.868 0.037 0.000 0.976 353 T HN 0.748 nan 8.240 nan 0.000 0.547 354 G N 1.561 110.367 108.800 0.010 0.000 2.168 354 G HA2 -0.272 3.688 3.960 0.000 0.000 0.257 354 G HA3 -0.272 3.688 3.960 0.000 0.000 0.257 354 G C 0.313 175.206 174.900 -0.012 0.000 0.997 354 G CA 0.041 45.144 45.100 0.004 0.000 0.708 354 G HN 0.855 nan 8.290 nan 0.000 0.520 355 c N 1.265 119.852 118.600 -0.022 0.000 3.003 355 c HA 0.425 4.995 4.570 0.000 0.000 0.241 355 c C -1.817 172.249 174.090 -0.041 0.000 1.224 355 c CA -1.740 54.562 56.329 -0.045 0.000 1.560 355 c CB 0.443 42.910 42.510 -0.072 0.000 1.768 355 c HN 0.340 nan 8.230 nan 0.000 0.440 356 P HA 0.223 nan 4.420 nan 0.000 0.258 356 P C 1.051 178.332 177.300 -0.031 0.000 1.187 356 P CA 1.857 64.942 63.100 -0.025 0.000 0.767 356 P CB 0.125 31.814 31.700 -0.018 0.000 0.770 357 G N 1.952 110.734 108.800 -0.031 0.000 2.194 357 G HA2 -0.181 3.779 3.960 0.000 0.000 0.236 357 G HA3 -0.181 3.779 3.960 0.000 0.000 0.236 357 G C 0.058 174.930 174.900 -0.047 0.000 0.987 357 G CA -0.411 44.669 45.100 -0.034 0.000 0.635 357 G HN 0.466 nan 8.290 nan 0.000 0.520 358 K N 1.624 121.987 120.400 -0.061 0.000 2.172 358 K HA 0.668 4.988 4.320 0.000 0.000 0.276 358 K C 0.535 177.091 176.600 -0.073 0.000 1.013 358 K CA 0.441 56.674 56.287 -0.089 0.000 0.913 358 K CB 1.677 34.098 32.500 -0.131 0.000 1.055 358 K HN 0.602 nan 8.250 nan 0.000 0.461 359 T N -2.180 112.329 114.554 -0.076 0.000 2.864 359 T HA 0.126 4.476 4.350 0.000 0.000 0.289 359 T C 1.078 175.744 174.700 -0.057 0.000 1.082 359 T CA -0.656 61.413 62.100 -0.051 0.000 1.009 359 T CB 1.541 70.389 68.868 -0.032 0.000 1.234 359 T HN 0.346 nan 8.240 nan 0.000 0.526 360 Q N 0.553 120.338 119.800 -0.026 0.000 2.135 360 Q HA -0.121 4.219 4.340 0.000 0.000 0.204 360 Q C 2.297 178.292 176.000 -0.009 0.000 0.981 360 Q CA 2.085 57.882 55.803 -0.009 0.000 0.856 360 Q CB -0.371 28.375 28.738 0.012 0.000 0.902 360 Q HN 0.717 nan 8.270 nan 0.000 0.425 361 R N -0.110 120.384 120.500 -0.011 0.000 2.127 361 R HA -0.166 4.174 4.340 0.000 0.000 0.238 361 R C 1.165 177.449 176.300 -0.027 0.000 1.134 361 R CA 1.753 57.851 56.100 -0.003 0.000 0.975 361 R CB -0.265 30.034 30.300 -0.000 0.000 0.865 361 R HN 0.396 nan 8.270 nan 0.000 0.447 362 D N 0.173 120.531 120.400 -0.070 0.000 2.117 362 D HA -0.153 4.487 4.640 0.000 0.000 0.197 362 D C 1.926 178.132 176.300 -0.156 0.000 0.987 362 D CA 1.419 55.345 54.000 -0.122 0.000 0.829 362 D CB -0.217 40.478 40.800 -0.176 0.000 0.961 362 D HN 0.358 nan 8.370 nan 0.000 0.460 363 c N 1.127 119.637 118.600 -0.150 0.000 2.446 363 c HA -0.060 4.510 4.570 0.000 0.000 0.277 363 c C 2.444 176.576 174.090 0.070 0.000 1.275 363 c CA 0.229 56.512 56.329 -0.077 0.000 1.727 363 c CB -0.991 41.521 42.510 0.003 0.000 2.010 363 c HN 0.327 nan 8.230 nan 0.000 0.486 364 N N 0.698 119.433 118.700 0.059 0.000 2.188 364 N HA -0.110 4.630 4.740 0.000 0.000 0.184 364 N C 1.828 177.387 175.510 0.082 0.000 1.018 364 N CA 1.001 54.115 53.050 0.108 0.000 0.858 364 N CB -0.510 38.038 38.487 0.101 0.000 0.989 364 N HN 0.536 nan 8.380 nan 0.000 0.426 365 Q N 0.144 119.949 119.800 0.008 0.000 2.224 365 Q HA 0.108 4.448 4.340 0.000 0.000 0.203 365 Q C 1.570 177.451 176.000 -0.199 0.000 0.970 365 Q CA 0.830 56.577 55.803 -0.094 0.000 0.865 365 Q CB -0.149 28.561 28.738 -0.047 0.000 0.922 365 Q HN 0.396 nan 8.270 nan 0.000 0.445 366 A N 0.698 123.495 122.820 -0.038 0.000 2.169 366 A HA -0.036 4.284 4.320 0.000 0.000 0.212 366 A C 2.087 179.851 177.584 0.300 0.000 1.153 366 A CA 0.991 53.084 52.037 0.093 0.000 0.756 366 A CB -0.176 18.904 19.000 0.134 0.000 0.813 366 A HN 0.359 nan 8.150 nan 0.000 0.471 367 S N -0.101 115.746 115.700 0.245 0.000 2.603 367 S HA 0.060 4.530 4.470 0.000 0.000 0.229 367 S C 0.448 175.244 174.600 0.327 0.000 0.972 367 S CA 0.524 58.940 58.200 0.360 0.000 0.935 367 S CB -0.709 62.662 63.200 0.284 0.000 0.769 367 S HN 0.868 nan 8.310 nan 0.000 0.536 368 H N -2.182 117.100 119.070 0.354 0.000 3.042 368 H HA 0.769 5.325 4.556 0.000 0.000 0.346 368 H C -1.042 174.526 175.328 0.399 0.000 1.294 368 H CA -0.555 55.658 56.048 0.275 0.000 1.141 368 H CB 1.003 30.849 29.762 0.140 0.000 1.872 368 H HN 0.087 nan 8.280 nan 0.000 0.541 369 S N 0.869 116.878 115.700 0.514 0.000 2.546 369 S HA 0.377 4.847 4.470 0.000 0.000 0.274 369 S C -2.237 172.592 174.600 0.383 0.000 1.121 369 S CA -1.596 56.834 58.200 0.383 0.000 0.887 369 S CB 1.677 65.060 63.200 0.305 0.000 1.094 369 S HN 0.587 nan 8.310 nan 0.000 0.474 370 P HA -0.027 nan 4.420 nan 0.000 0.220 370 P C 0.737 178.217 177.300 0.300 0.000 1.148 370 P CA 1.002 64.278 63.100 0.294 0.000 0.803 370 P CB -0.150 31.695 31.700 0.241 0.000 0.782 371 W N -0.481 120.793 121.300 -0.044 0.000 2.421 371 W HA 0.011 4.671 4.660 0.000 0.000 0.270 371 W C 1.657 178.080 176.519 -0.160 0.000 1.233 371 W CA 0.770 57.998 57.345 -0.195 0.000 1.226 371 W CB -1.403 27.789 29.460 -0.446 0.000 1.121 371 W HN -0.073 nan 8.180 nan 0.000 0.579 372 F N -0.283 119.841 119.950 0.290 0.000 2.791 372 F HA 0.197 4.725 4.527 0.000 0.000 0.308 372 F C 1.148 177.074 175.800 0.210 0.000 1.138 372 F CA -0.234 57.845 58.000 0.133 0.000 1.294 372 F CB -0.029 38.937 39.000 -0.056 0.000 0.975 372 F HN -0.336 nan 8.300 nan 0.000 0.512 373 S N 0.754 116.662 115.700 0.347 0.000 3.561 373 S HA -0.264 4.206 4.470 0.000 0.000 0.318 373 S C 0.292 175.026 174.600 0.223 0.000 1.181 373 S CA 0.844 59.191 58.200 0.245 0.000 0.916 373 S CB -1.260 62.074 63.200 0.223 0.000 0.966 373 S HN 0.742 nan 8.310 nan 0.000 0.550 374 D N -0.771 119.804 120.400 0.291 0.000 3.039 374 D HA -0.166 4.474 4.640 0.000 0.000 0.222 374 D C 0.345 176.733 176.300 0.146 0.000 1.179 374 D CA 1.134 55.305 54.000 0.285 0.000 0.880 374 D CB -0.311 40.603 40.800 0.190 0.000 1.115 374 D HN 0.494 nan 8.370 nan 0.000 0.416 375 R N 0.612 121.226 120.500 0.189 0.000 2.679 375 R HA 0.208 4.548 4.340 0.000 0.000 0.268 375 R C 0.701 177.037 176.300 0.061 0.000 1.044 375 R CA -0.137 56.018 56.100 0.092 0.000 1.105 375 R CB 0.260 30.653 30.300 0.154 0.000 0.989 375 R HN -0.005 nan 8.270 nan 0.000 0.447 376 R N 1.745 122.227 120.500 -0.030 0.000 2.401 376 R HA 0.146 4.486 4.340 0.000 0.000 0.299 376 R C 0.142 176.374 176.300 -0.113 0.000 1.064 376 R CA 0.106 56.187 56.100 -0.031 0.000 1.000 376 R CB 0.324 30.596 30.300 -0.047 0.000 0.973 376 R HN 0.342 nan 8.270 nan 0.000 0.438 377 M N 4.147 123.606 119.600 -0.234 0.000 2.105 377 M HA 0.256 4.736 4.480 0.000 0.000 0.350 377 M C -0.166 176.024 176.300 -0.184 0.000 1.308 377 M CA -0.501 54.569 55.300 -0.383 0.000 1.108 377 M CB 0.497 32.387 32.600 -1.184 0.000 1.622 377 M HN 0.431 nan 8.290 nan 0.000 0.468 378 V N 2.192 122.079 119.914 -0.045 0.000 3.158 378 V HA 0.727 4.847 4.120 0.000 0.000 0.311 378 V C -0.792 175.406 176.094 0.174 0.000 1.181 378 V CA -1.059 61.275 62.300 0.056 0.000 1.054 378 V CB 2.513 34.364 31.823 0.047 0.000 1.085 378 V HN 0.799 nan 8.190 nan 0.000 0.446 379 N N 0.117 118.933 118.700 0.193 0.000 2.370 379 N HA 0.814 5.554 4.740 0.000 0.000 0.303 379 N C -0.796 174.845 175.510 0.220 0.000 1.103 379 N CA -0.402 52.788 53.050 0.234 0.000 0.848 379 N CB 2.096 40.711 38.487 0.212 0.000 1.235 379 N HN 0.970 nan 8.380 nan 0.000 0.496 380 S N 0.534 116.359 115.700 0.209 0.000 2.704 380 S HA 0.611 5.081 4.470 0.000 0.000 0.296 380 S C -1.067 173.607 174.600 0.124 0.000 1.138 380 S CA -0.590 57.717 58.200 0.177 0.000 0.875 380 S CB 1.383 64.660 63.200 0.129 0.000 1.151 380 S HN 0.314 nan 8.310 nan 0.000 0.500 381 I N 1.315 121.950 120.570 0.109 0.000 2.389 381 I HA 0.445 4.615 4.170 0.000 0.000 0.288 381 I C -1.134 175.009 176.117 0.044 0.000 0.999 381 I CA -0.339 60.999 61.300 0.063 0.000 1.129 381 I CB 1.148 39.149 38.000 0.002 0.000 1.288 381 I HN 0.522 nan 8.210 nan 0.000 0.444 382 I N 7.381 127.969 120.570 0.030 0.000 2.328 382 I HA 0.331 4.501 4.170 0.000 0.000 0.287 382 I C -0.632 175.495 176.117 0.017 0.000 1.012 382 I CA -0.843 60.440 61.300 -0.027 0.000 1.195 382 I CB 1.153 39.129 38.000 -0.041 0.000 1.350 382 I HN 0.088 nan 8.210 nan 0.000 0.464 383 V N 7.445 127.345 119.914 -0.023 0.000 2.406 383 V HA 0.212 4.332 4.120 0.000 0.000 0.272 383 V C 0.280 176.376 176.094 0.003 0.000 1.043 383 V CA -0.607 61.692 62.300 -0.001 0.000 0.915 383 V CB 1.659 33.496 31.823 0.022 0.000 0.988 383 V HN 0.388 nan 8.190 nan 0.000 0.466 384 V N 5.284 125.225 119.914 0.045 0.000 2.348 384 V HA 0.380 4.500 4.120 0.000 0.000 0.270 384 V C -0.191 175.956 176.094 0.087 0.000 1.037 384 V CA -0.197 62.145 62.300 0.071 0.000 0.872 384 V CB 1.161 33.085 31.823 0.169 0.000 1.002 384 V HN 0.910 nan 8.190 nan 0.000 0.464 385 D N 3.233 123.685 120.400 0.087 0.000 2.621 385 D HA 0.716 5.356 4.640 0.000 0.000 0.255 385 D C -0.695 175.675 176.300 0.117 0.000 1.122 385 D CA -0.725 53.336 54.000 0.100 0.000 1.096 385 D CB 1.299 42.153 40.800 0.091 0.000 1.282 385 D HN 0.392 nan 8.370 nan 0.000 0.619 386 K N -0.410 120.052 120.400 0.104 0.000 2.324 386 K HA 0.702 5.022 4.320 0.000 0.000 0.253 386 K C 0.192 176.840 176.600 0.079 0.000 0.932 386 K CA -0.922 55.425 56.287 0.100 0.000 0.799 386 K CB 1.671 34.228 32.500 0.095 0.000 1.154 386 K HN 0.398 nan 8.250 nan 0.000 0.425 387 G N 1.131 109.975 108.800 0.073 0.000 2.651 387 G HA2 0.080 4.040 3.960 0.000 0.000 0.260 387 G HA3 0.080 4.040 3.960 0.000 0.000 0.260 387 G C 0.432 175.359 174.900 0.045 0.000 1.216 387 G CA -0.623 44.510 45.100 0.056 0.000 0.913 387 G HN 0.515 nan 8.290 nan 0.000 0.535 388 L N -0.281 120.963 121.223 0.036 0.000 2.349 388 L HA -0.028 4.312 4.340 0.000 0.000 0.220 388 L C 1.191 178.077 176.870 0.027 0.000 1.130 388 L CA 1.455 56.313 54.840 0.030 0.000 0.791 388 L CB -0.911 41.162 42.059 0.024 0.000 0.918 388 L HN 0.560 nan 8.230 nan 0.000 0.444 389 N N -1.544 117.171 118.700 0.026 0.000 2.467 389 N HA 0.096 4.836 4.740 0.000 0.000 0.278 389 N C 0.532 176.057 175.510 0.024 0.000 1.306 389 N CA 0.310 53.373 53.050 0.021 0.000 0.905 389 N CB 0.549 39.044 38.487 0.012 0.000 1.236 389 N HN -0.033 nan 8.380 nan 0.000 0.509 390 S N -0.416 115.306 115.700 0.036 0.000 3.084 390 S HA -0.157 4.313 4.470 0.000 0.000 0.277 390 S C 0.234 174.863 174.600 0.048 0.000 1.295 390 S CA 0.453 58.680 58.200 0.044 0.000 1.170 390 S CB -1.114 62.107 63.200 0.034 0.000 1.412 390 S HN 0.387 nan 8.310 nan 0.000 0.669 391 I N 2.775 123.370 120.570 0.043 0.000 2.416 391 I HA 0.274 4.444 4.170 0.000 0.000 0.288 391 I C -2.039 174.134 176.117 0.092 0.000 1.051 391 I CA -2.141 59.184 61.300 0.041 0.000 1.375 391 I CB 0.015 38.023 38.000 0.013 0.000 1.407 391 I HN -0.097 nan 8.210 nan 0.000 0.516 392 P HA 0.210 nan 4.420 nan 0.000 0.271 392 P C -1.045 176.476 177.300 0.367 0.000 1.216 392 P CA -0.179 63.073 63.100 0.254 0.000 0.776 392 P CB 0.597 32.495 31.700 0.330 0.000 0.881 393 K N 2.062 122.611 120.400 0.249 0.000 2.375 393 K HA 0.628 4.948 4.320 0.000 0.000 0.249 393 K C -0.883 175.659 176.600 -0.095 0.000 0.942 393 K CA -0.747 55.650 56.287 0.183 0.000 0.806 393 K CB 1.935 34.492 32.500 0.095 0.000 1.227 393 K HN 0.296 nan 8.250 nan 0.000 0.430 394 L N 2.187 123.204 121.223 -0.342 0.000 2.341 394 L HA 0.512 4.852 4.340 0.000 0.000 0.278 394 L C -0.554 176.075 176.870 -0.402 0.000 1.005 394 L CA -0.864 53.685 54.840 -0.486 0.000 0.818 394 L CB 1.608 43.160 42.059 -0.845 0.000 1.259 394 L HN 0.450 nan 8.230 nan 0.000 0.418 395 K N 2.566 122.768 120.400 -0.330 0.000 2.345 395 K HA 0.620 4.940 4.320 0.000 0.000 0.255 395 K C -1.307 174.997 176.600 -0.493 0.000 0.934 395 K CA -0.705 55.337 56.287 -0.408 0.000 0.801 395 K CB 2.987 35.362 32.500 -0.209 0.000 1.137 395 K HN 0.235 nan 8.250 nan 0.000 0.424 396 V N 2.993 122.486 119.914 -0.702 0.000 2.417 396 V HA 0.392 4.512 4.120 0.000 0.000 0.291 396 V C -1.122 174.650 176.094 -0.536 0.000 1.024 396 V CA -0.835 61.137 62.300 -0.548 0.000 0.861 396 V CB 0.662 32.099 31.823 -0.643 0.000 0.985 396 V HN 0.669 nan 8.190 nan 0.000 0.436 397 W N 1.993 123.238 121.300 -0.091 0.000 2.632 397 W HA 0.605 5.265 4.660 0.000 0.000 0.328 397 W C 0.276 176.844 176.519 0.080 0.000 1.044 397 W CA -0.542 56.805 57.345 0.003 0.000 1.225 397 W CB 1.659 31.085 29.460 -0.056 0.000 1.396 397 W HN 0.381 nan 8.180 nan 0.000 0.499 398 T N 4.300 119.067 114.554 0.354 0.000 2.806 398 T HA 0.434 4.784 4.350 0.000 0.000 0.290 398 T C 0.019 174.850 174.700 0.218 0.000 0.966 398 T CA -0.453 61.822 62.100 0.292 0.000 1.060 398 T CB 0.501 69.507 68.868 0.230 0.000 0.927 398 T HN 0.132 nan 8.240 nan 0.000 0.485 399 I N 2.692 123.368 120.570 0.177 0.000 2.352 399 I HA 0.171 4.341 4.170 0.000 0.000 0.290 399 I C 1.062 177.239 176.117 0.100 0.000 1.036 399 I CA -0.459 60.915 61.300 0.124 0.000 1.336 399 I CB 1.208 39.275 38.000 0.112 0.000 1.407 399 I HN 0.575 nan 8.210 nan 0.000 0.497 400 S N 5.986 121.733 115.700 0.079 0.000 2.558 400 S HA 0.057 4.527 4.470 0.000 0.000 0.288 400 S C 1.218 175.850 174.600 0.053 0.000 1.318 400 S CA -0.198 58.038 58.200 0.061 0.000 1.056 400 S CB 0.512 63.742 63.200 0.049 0.000 0.853 400 S HN 0.612 nan 8.310 nan 0.000 0.505 401 M N 3.930 123.558 119.600 0.047 0.000 2.630 401 M HA -0.007 4.473 4.480 0.000 0.000 0.254 401 M C 1.905 178.223 176.300 0.028 0.000 1.092 401 M CA 0.911 56.239 55.300 0.045 0.000 1.087 401 M CB -0.209 32.427 32.600 0.059 0.000 1.453 401 M HN 0.643 nan 8.290 nan 0.000 0.509 402 R N -0.157 120.361 120.500 0.029 0.000 2.193 402 R HA -0.042 4.298 4.340 0.000 0.000 0.213 402 R C 1.811 178.115 176.300 0.007 0.000 1.055 402 R CA 0.720 56.832 56.100 0.021 0.000 0.995 402 R CB 0.037 30.352 30.300 0.025 0.000 0.893 402 R HN 0.406 nan 8.270 nan 0.000 0.459 403 Q N -0.370 119.439 119.800 0.015 0.000 2.350 403 Q HA 0.141 4.481 4.340 0.000 0.000 0.225 403 Q C -0.255 175.810 176.000 0.108 0.000 0.878 403 Q CA 0.292 56.111 55.803 0.027 0.000 0.935 403 Q CB 0.656 29.394 28.738 -0.000 0.000 1.099 403 Q HN 0.084 nan 8.270 nan 0.000 0.527 404 N N -0.647 118.088 118.700 0.058 0.000 2.264 404 N HA 0.221 4.961 4.740 0.000 0.000 0.288 404 N C -1.364 174.090 175.510 -0.094 0.000 1.094 404 N CA -0.411 52.711 53.050 0.119 0.000 0.817 404 N CB 0.956 39.578 38.487 0.225 0.000 1.604 404 N HN -0.208 nan 8.380 nan 0.000 0.473 405 Y N 0.311 120.623 120.300 0.020 0.000 2.223 405 Y HA 0.098 4.648 4.550 0.000 0.000 0.352 405 Y C 0.850 176.797 175.900 0.078 0.000 1.293 405 Y CA -0.028 58.024 58.100 -0.080 0.000 1.601 405 Y CB 0.264 38.505 38.460 -0.365 0.000 1.407 405 Y HN 0.407 nan 8.280 nan 0.000 0.639 406 W N 2.363 123.720 121.300 0.096 0.000 2.551 406 W HA -0.022 4.638 4.660 0.000 0.000 0.336 406 W C 0.167 176.741 176.519 0.093 0.000 1.158 406 W CA 0.204 57.606 57.345 0.095 0.000 1.258 406 W CB 0.076 29.568 29.460 0.054 0.000 1.157 406 W HN 0.630 nan 8.180 nan 0.000 0.562 407 G N 5.288 114.042 108.800 -0.076 0.000 2.380 407 G HA2 0.381 4.341 3.960 0.000 0.000 0.242 407 G HA3 0.381 4.341 3.960 0.000 0.000 0.242 407 G C -0.572 174.407 174.900 0.132 0.000 1.298 407 G CA 0.447 45.584 45.100 0.061 0.000 0.878 407 G HN 0.800 nan 8.290 nan 0.000 0.542 408 S N 0.871 116.622 115.700 0.084 0.000 2.683 408 S HA 0.394 4.864 4.470 0.000 0.000 0.269 408 S C -0.654 173.655 174.600 -0.485 0.000 1.165 408 S CA -1.114 56.899 58.200 -0.312 0.000 0.840 408 S CB 1.094 64.253 63.200 -0.069 0.000 1.169 408 S HN 0.644 nan 8.310 nan 0.000 0.490 409 E N -0.021 119.759 120.200 -0.701 0.000 2.467 409 E HA 0.450 4.801 4.350 0.000 0.000 0.264 409 E C 0.469 177.154 176.600 0.142 0.000 1.020 409 E CA 0.725 57.013 56.400 -0.187 0.000 0.945 409 E CB 0.218 29.928 29.700 0.016 0.000 0.942 409 E HN 0.923 nan 8.360 nan 0.000 0.449 410 G N 0.981 109.997 108.800 0.360 0.000 2.348 410 G HA2 0.436 4.396 3.960 0.000 0.000 0.296 410 G HA3 0.436 4.396 3.960 0.000 0.000 0.296 410 G C -1.541 173.660 174.900 0.502 0.000 1.258 410 G CA -0.717 44.649 45.100 0.443 0.000 0.868 410 G HN 0.599 nan 8.290 nan 0.000 0.488 411 R N -1.443 119.321 120.500 0.440 0.000 2.716 411 R HA 0.779 5.119 4.340 0.000 0.000 0.271 411 R C -1.822 174.619 176.300 0.235 0.000 1.028 411 R CA -1.007 55.292 56.100 0.331 0.000 0.883 411 R CB 1.005 31.507 30.300 0.337 0.000 1.250 411 R HN 0.527 nan 8.270 nan 0.000 0.465 412 L N 1.676 123.001 121.223 0.169 0.000 2.342 412 L HA 0.625 4.965 4.340 0.000 0.000 0.271 412 L C -0.889 176.031 176.870 0.084 0.000 1.008 412 L CA -1.142 53.758 54.840 0.100 0.000 0.818 412 L CB 2.047 44.133 42.059 0.046 0.000 1.296 412 L HN 0.447 nan 8.230 nan 0.000 0.427 413 L N 3.823 125.089 121.223 0.072 0.000 2.441 413 L HA 0.429 4.769 4.340 0.000 0.000 0.270 413 L C -0.758 176.167 176.870 0.092 0.000 0.973 413 L CA -0.269 54.606 54.840 0.058 0.000 0.842 413 L CB 2.401 44.424 42.059 -0.059 0.000 1.239 413 L HN 0.471 nan 8.230 nan 0.000 0.406 414 L N 5.695 126.958 121.223 0.067 0.000 2.302 414 L HA 0.464 4.804 4.340 0.000 0.000 0.285 414 L C -1.090 175.849 176.870 0.116 0.000 1.090 414 L CA -0.322 54.555 54.840 0.062 0.000 0.866 414 L CB 0.354 42.445 42.059 0.053 0.000 1.244 414 L HN 0.598 nan 8.230 nan 0.000 0.435 415 L N 4.917 126.243 121.223 0.172 0.000 2.316 415 L HA 0.426 4.766 4.340 0.000 0.000 0.280 415 L C 0.982 177.960 176.870 0.181 0.000 1.006 415 L CA -0.735 54.211 54.840 0.175 0.000 0.836 415 L CB 1.500 43.647 42.059 0.148 0.000 1.221 415 L HN 0.758 nan 8.230 nan 0.000 0.418 416 G N 3.531 112.417 108.800 0.144 0.000 2.144 416 G HA2 -0.360 3.600 3.960 0.000 0.000 0.251 416 G HA3 -0.360 3.600 3.960 0.000 0.000 0.251 416 G C 0.756 175.721 174.900 0.109 0.000 0.780 416 G CA 1.262 46.438 45.100 0.126 0.000 1.183 416 G HN 1.251 nan 8.290 nan 0.000 0.345 417 N N -1.954 116.803 118.700 0.095 0.000 2.967 417 N HA -0.222 4.518 4.740 0.000 0.000 0.218 417 N C 0.251 175.773 175.510 0.021 0.000 0.870 417 N CA 2.438 55.532 53.050 0.074 0.000 1.030 417 N CB -1.059 37.463 38.487 0.058 0.000 1.027 417 N HN 0.845 nan 8.380 nan 0.000 0.603 418 K N 0.291 120.688 120.400 -0.005 0.000 2.259 418 K HA 0.560 4.880 4.320 0.000 0.000 0.252 418 K C -0.657 175.824 176.600 -0.199 0.000 0.936 418 K CA -0.762 55.423 56.287 -0.170 0.000 0.810 418 K CB 1.626 33.931 32.500 -0.325 0.000 1.143 418 K HN 0.172 nan 8.250 nan 0.000 0.427 419 I N 3.607 123.989 120.570 -0.313 0.000 2.330 419 I HA 0.227 4.397 4.170 0.000 0.000 0.289 419 I C -0.904 175.032 176.117 -0.301 0.000 1.001 419 I CA -0.775 60.379 61.300 -0.245 0.000 1.193 419 I CB 0.515 38.325 38.000 -0.317 0.000 1.345 419 I HN 0.419 nan 8.210 nan 0.000 0.461 420 Y N 6.612 126.838 120.300 -0.123 0.000 2.320 420 Y HA 0.513 5.063 4.550 0.000 0.000 0.334 420 Y C 0.114 175.974 175.900 -0.067 0.000 1.055 420 Y CA -0.541 57.497 58.100 -0.103 0.000 1.143 420 Y CB 1.472 39.862 38.460 -0.118 0.000 1.193 420 Y HN 0.429 nan 8.280 nan 0.000 0.477 421 I N 4.335 124.942 120.570 0.061 0.000 2.474 421 I HA 0.413 4.583 4.170 0.000 0.000 0.294 421 I C -1.718 174.540 176.117 0.235 0.000 1.005 421 I CA -1.024 60.327 61.300 0.085 0.000 1.113 421 I CB 1.259 39.226 38.000 -0.055 0.000 1.289 421 I HN 0.677 nan 8.210 nan 0.000 0.436 422 Y N 6.555 126.939 120.300 0.140 0.000 2.409 422 Y HA 0.664 5.214 4.550 0.000 0.000 0.343 422 Y C -0.909 175.069 175.900 0.130 0.000 0.973 422 Y CA -0.412 57.765 58.100 0.127 0.000 1.064 422 Y CB 1.767 40.219 38.460 -0.013 0.000 1.207 422 Y HN 0.629 nan 8.280 nan 0.000 0.452 423 T N 3.735 117.770 114.554 -0.865 0.000 2.912 423 T HA 0.426 4.776 4.350 0.000 0.000 0.299 423 T C -0.825 173.175 174.700 -1.166 0.000 1.052 423 T CA -1.153 60.517 62.100 -0.717 0.000 0.996 423 T CB 1.646 70.413 68.868 -0.167 0.000 1.070 423 T HN 0.920 nan 8.240 nan 0.000 0.465 424 R N 1.534 121.618 120.500 -0.694 0.000 2.570 424 R HA 0.237 4.577 4.340 0.000 0.000 0.277 424 R C -0.358 175.725 176.300 -0.362 0.000 1.039 424 R CA -0.077 55.765 56.100 -0.430 0.000 1.065 424 R CB 0.135 30.367 30.300 -0.113 0.000 0.964 424 R HN 0.667 nan 8.270 nan 0.000 0.428 425 S N 3.367 118.849 115.700 -0.363 0.000 4.087 425 S HA 0.027 4.497 4.470 0.000 0.000 0.213 425 S C 0.652 175.068 174.600 -0.307 0.000 1.415 425 S CA -0.353 57.620 58.200 -0.377 0.000 0.893 425 S CB 0.762 63.699 63.200 -0.439 0.000 1.529 425 S HN 0.689 nan 8.310 nan 0.000 0.457 426 T N 1.063 115.469 114.554 -0.247 0.000 3.007 426 T HA -0.019 4.331 4.350 0.000 0.000 0.270 426 T C 1.218 175.640 174.700 -0.464 0.000 1.107 426 T CA 0.901 62.830 62.100 -0.284 0.000 1.118 426 T CB 0.123 68.885 68.868 -0.177 0.000 0.889 426 T HN 0.466 nan 8.240 nan 0.000 0.506 427 S N -0.965 114.465 115.700 -0.450 0.000 3.379 427 S HA 0.312 4.782 4.470 0.000 0.000 0.273 427 S C 0.693 175.114 174.600 -0.297 0.000 1.027 427 S CA -0.464 57.471 58.200 -0.442 0.000 1.098 427 S CB -0.067 62.870 63.200 -0.440 0.000 1.317 427 S HN 0.535 nan 8.310 nan 0.000 0.715 428 W N 1.926 123.144 121.300 -0.137 0.000 2.364 428 W HA -0.036 4.624 4.660 0.000 0.000 0.281 428 W C 0.842 177.389 176.519 0.047 0.000 1.219 428 W CA 0.999 58.351 57.345 0.010 0.000 1.220 428 W CB -1.135 28.380 29.460 0.091 0.000 1.127 428 W HN 0.639 nan 8.180 nan 0.000 0.556 429 H N 2.795 121.294 119.070 -0.952 0.000 2.982 429 H HA 0.139 4.695 4.556 0.000 0.000 0.261 429 H C 1.450 176.376 175.328 -0.670 0.000 1.603 429 H CA 0.831 56.316 56.048 -0.939 0.000 1.398 429 H CB 0.669 29.475 29.762 -1.594 0.000 1.693 429 H HN 0.092 nan 8.280 nan 0.000 0.535 430 S N 3.277 118.616 115.700 -0.601 0.000 2.453 430 S HA -0.019 4.451 4.470 0.000 0.000 0.231 430 S C 0.740 174.937 174.600 -0.671 0.000 1.005 430 S CA 0.041 57.922 58.200 -0.531 0.000 0.949 430 S CB 0.239 63.241 63.200 -0.331 0.000 0.774 430 S HN 0.478 nan 8.310 nan 0.000 0.510 431 K N 0.756 120.660 120.400 -0.827 0.000 2.230 431 K HA 0.268 4.588 4.320 0.000 0.000 0.253 431 K C -0.191 176.063 176.600 -0.576 0.000 1.008 431 K CA -0.674 55.196 56.287 -0.695 0.000 0.910 431 K CB 0.170 32.306 32.500 -0.607 0.000 0.994 431 K HN 0.244 nan 8.250 nan 0.000 0.495 432 L N 2.000 122.951 121.223 -0.455 0.000 2.578 432 L HA -0.128 4.212 4.340 0.000 0.000 0.279 432 L C -0.577 176.138 176.870 -0.260 0.000 1.227 432 L CA 1.212 55.840 54.840 -0.354 0.000 0.900 432 L CB 0.005 41.805 42.059 -0.431 0.000 1.144 432 L HN 0.425 nan 8.230 nan 0.000 0.496 433 Q N 5.561 125.175 119.800 -0.309 0.000 2.431 433 Q HA 0.541 4.881 4.340 0.000 0.000 0.249 433 Q C -1.354 174.693 176.000 0.077 0.000 1.025 433 Q CA -0.403 55.164 55.803 -0.392 0.000 0.835 433 Q CB 1.448 29.670 28.738 -0.860 0.000 1.207 433 Q HN 0.572 nan 8.270 nan 0.000 0.490 434 L N 1.648 123.120 121.223 0.416 0.000 2.438 434 L HA 0.866 5.206 4.340 0.000 0.000 0.270 434 L C -0.758 176.431 176.870 0.531 0.000 0.972 434 L CA -0.043 55.081 54.840 0.474 0.000 0.831 434 L CB 1.856 44.073 42.059 0.263 0.000 1.273 434 L HN 0.508 nan 8.230 nan 0.000 0.405 435 G N 4.342 113.308 108.800 0.276 0.000 2.815 435 G HA2 0.585 4.545 3.960 0.000 0.000 0.305 435 G HA3 0.585 4.545 3.960 0.000 0.000 0.305 435 G C -1.576 173.226 174.900 -0.162 0.000 1.277 435 G CA -0.663 44.434 45.100 -0.005 0.000 0.795 435 G HN 0.512 nan 8.290 nan 0.000 0.528 436 I N 1.004 121.394 120.570 -0.299 0.000 2.418 436 I HA 0.432 4.602 4.170 0.000 0.000 0.287 436 I C -0.739 175.162 176.117 -0.360 0.000 1.008 436 I CA -0.535 60.542 61.300 -0.371 0.000 1.104 436 I CB 1.934 39.712 38.000 -0.370 0.000 1.264 436 I HN 0.323 nan 8.210 nan 0.000 0.438 437 I N 5.648 126.020 120.570 -0.331 0.000 2.437 437 I HA 0.314 4.484 4.170 0.000 0.000 0.298 437 I C -0.846 175.131 176.117 -0.234 0.000 0.984 437 I CA -0.175 60.955 61.300 -0.284 0.000 1.214 437 I CB 1.470 39.324 38.000 -0.243 0.000 1.365 437 I HN 0.521 nan 8.210 nan 0.000 0.469 438 D N 8.059 128.347 120.400 -0.185 0.000 2.453 438 D HA 0.261 4.901 4.640 0.000 0.000 0.238 438 D C 0.121 176.364 176.300 -0.094 0.000 1.088 438 D CA -0.397 53.520 54.000 -0.138 0.000 0.854 438 D CB 1.052 41.781 40.800 -0.119 0.000 1.076 438 D HN 0.540 nan 8.370 nan 0.000 0.533 439 I N 1.270 121.799 120.570 -0.068 0.000 3.816 439 I HA 0.174 4.344 4.170 0.000 0.000 0.334 439 I C 1.340 177.459 176.117 0.003 0.000 1.551 439 I CA -0.441 60.873 61.300 0.023 0.000 1.153 439 I CB 0.135 38.192 38.000 0.095 0.000 1.197 439 I HN 0.132 nan 8.210 nan 0.000 0.439 440 T N -1.804 112.715 114.554 -0.057 0.000 2.759 440 T HA -0.195 4.155 4.350 0.000 0.000 0.269 440 T C 0.755 175.296 174.700 -0.266 0.000 1.042 440 T CA 1.414 63.442 62.100 -0.120 0.000 1.140 440 T CB -0.395 68.421 68.868 -0.086 0.000 0.864 440 T HN 0.519 nan 8.240 nan 0.000 0.455 441 D N -0.184 120.083 120.400 -0.221 0.000 2.453 441 D HA 0.244 4.884 4.640 0.000 0.000 0.238 441 D C 0.350 176.507 176.300 -0.238 0.000 1.088 441 D CA -1.044 52.791 54.000 -0.276 0.000 0.854 441 D CB 0.389 41.094 40.800 -0.159 0.000 1.076 441 D HN 0.369 nan 8.370 nan 0.000 0.533 442 Y N 1.619 121.626 120.300 -0.489 0.000 2.315 442 Y HA -0.216 4.334 4.550 0.000 0.000 0.288 442 Y C 2.287 177.906 175.900 -0.469 0.000 1.154 442 Y CA 0.826 58.461 58.100 -0.776 0.000 1.229 442 Y CB 0.238 37.563 38.460 -1.892 0.000 0.980 442 Y HN 0.405 nan 8.280 nan 0.000 0.540 443 S N -1.294 114.322 115.700 -0.140 0.000 2.605 443 S HA 0.013 4.483 4.470 0.000 0.000 0.217 443 S C 0.011 174.664 174.600 0.089 0.000 0.958 443 S CA 0.302 58.583 58.200 0.135 0.000 0.919 443 S CB 0.116 63.428 63.200 0.187 0.000 0.780 443 S HN 0.365 nan 8.310 nan 0.000 0.507 444 D N 0.596 121.010 120.400 0.024 0.000 3.118 444 D HA 0.288 4.928 4.640 0.000 0.000 0.259 444 D C -0.887 175.409 176.300 -0.007 0.000 1.292 444 D CA -0.321 53.688 54.000 0.015 0.000 0.784 444 D CB -0.102 40.695 40.800 -0.004 0.000 1.413 444 D HN 0.308 nan 8.370 nan 0.000 0.583 445 I N 1.853 122.432 120.570 0.014 0.000 2.471 445 I HA 0.314 4.484 4.170 0.000 0.000 0.286 445 I C 0.762 176.859 176.117 -0.033 0.000 1.079 445 I CA -0.072 61.224 61.300 -0.007 0.000 1.398 445 I CB 0.679 38.693 38.000 0.023 0.000 1.403 445 I HN 0.008 nan 8.210 nan 0.000 0.530 446 R N 6.696 127.153 120.500 -0.072 0.000 2.740 446 R HA 0.748 5.088 4.340 0.000 0.000 0.282 446 R C -1.075 175.119 176.300 -0.177 0.000 0.969 446 R CA -0.938 55.102 56.100 -0.100 0.000 0.918 446 R CB 2.484 32.732 30.300 -0.085 0.000 1.175 446 R HN 0.508 nan 8.270 nan 0.000 0.464 447 I N 1.700 122.126 120.570 -0.240 0.000 2.545 447 I HA 0.272 4.442 4.170 0.000 0.000 0.292 447 I C -0.619 175.246 176.117 -0.421 0.000 1.040 447 I CA -0.953 60.082 61.300 -0.443 0.000 1.068 447 I CB 2.234 39.789 38.000 -0.741 0.000 1.251 447 I HN 0.286 nan 8.210 nan 0.000 0.424 448 K N 6.137 126.300 120.400 -0.395 0.000 2.404 448 K HA 0.312 4.632 4.320 0.000 0.000 0.257 448 K C -1.663 174.816 176.600 -0.201 0.000 1.026 448 K CA -0.281 55.878 56.287 -0.214 0.000 0.951 448 K CB 0.388 32.812 32.500 -0.127 0.000 1.203 448 K HN 0.333 nan 8.250 nan 0.000 0.446 449 W N 2.868 124.198 121.300 0.051 0.000 2.216 449 W HA 0.183 4.843 4.660 0.000 0.000 0.326 449 W C 0.227 176.823 176.519 0.128 0.000 1.319 449 W CA -0.484 56.919 57.345 0.097 0.000 1.213 449 W CB 1.087 30.630 29.460 0.138 0.000 1.171 449 W HN 0.338 nan 8.180 nan 0.000 0.557 450 T N 3.343 118.149 114.554 0.419 0.000 2.780 450 T HA 0.002 4.352 4.350 0.000 0.000 0.294 450 T C -0.677 174.216 174.700 0.320 0.000 0.949 450 T CA -0.476 61.805 62.100 0.302 0.000 1.074 450 T CB 0.135 69.147 68.868 0.240 0.000 0.910 450 T HN 0.335 nan 8.240 nan 0.000 0.501 451 W N 5.306 126.657 121.300 0.085 0.000 2.322 451 W HA 0.107 4.767 4.660 0.000 0.000 0.328 451 W C -0.134 176.328 176.519 -0.095 0.000 1.395 451 W CA 0.159 57.535 57.345 0.051 0.000 1.267 451 W CB 0.077 29.553 29.460 0.027 0.000 1.259 451 W HN 0.588 nan 8.180 nan 0.000 0.560 452 H N 5.335 123.980 119.070 -0.709 0.000 2.782 452 H HA 0.092 4.648 4.556 0.000 0.000 0.347 452 H C -0.043 174.669 175.328 -1.028 0.000 1.038 452 H CA -0.438 55.182 56.048 -0.713 0.000 1.255 452 H CB 1.905 31.451 29.762 -0.360 0.000 1.623 452 H HN 0.530 nan 8.280 nan 0.000 0.525 453 N N 1.880 120.009 118.700 -0.952 0.000 2.294 453 N HA -0.059 4.681 4.740 0.000 0.000 0.186 453 N C 1.287 176.626 175.510 -0.286 0.000 1.107 453 N CA 0.527 53.154 53.050 -0.705 0.000 0.884 453 N CB 0.760 38.811 38.487 -0.727 0.000 1.030 453 N HN 0.373 nan 8.380 nan 0.000 0.482 454 V N -2.135 117.671 119.914 -0.180 0.000 3.645 454 V HA 0.439 4.559 4.120 0.000 0.000 0.275 454 V C 0.361 176.471 176.094 0.027 0.000 1.356 454 V CA -0.094 62.197 62.300 -0.016 0.000 1.051 454 V CB -0.130 31.716 31.823 0.039 0.000 0.828 454 V HN -0.075 nan 8.190 nan 0.000 0.441 455 L N 1.382 122.522 121.223 -0.138 0.000 2.289 455 L HA 0.735 5.075 4.340 0.000 0.000 0.285 455 L C 0.230 176.716 176.870 -0.639 0.000 1.049 455 L CA 0.335 55.029 54.840 -0.244 0.000 0.804 455 L CB 1.461 43.385 42.059 -0.225 0.000 1.195 455 L HN 0.336 nan 8.230 nan 0.000 0.428 456 S N 2.460 117.399 115.700 -1.270 0.000 3.952 456 S HA 0.726 5.196 4.470 0.000 0.000 0.293 456 S C -1.552 172.337 174.600 -1.185 0.000 1.090 456 S CA -0.551 56.789 58.200 -1.432 0.000 1.264 456 S CB 1.457 63.479 63.200 -1.964 0.000 1.393 456 S HN 0.730 nan 8.310 nan 0.000 0.757 457 R N 0.838 120.803 120.500 -0.892 0.000 2.687 457 R HA 0.439 4.779 4.340 0.000 0.000 0.265 457 R C -3.554 172.785 176.300 0.065 0.000 1.048 457 R CA -1.581 54.396 56.100 -0.205 0.000 0.884 457 R CB 0.280 30.463 30.300 -0.195 0.000 1.258 457 R HN 0.476 nan 8.270 nan 0.000 0.469 458 P HA 0.213 nan 4.420 nan 0.000 0.269 458 P C -0.334 176.979 177.300 0.022 0.000 1.209 458 P CA 0.311 63.495 63.100 0.139 0.000 0.776 458 P CB 1.162 32.919 31.700 0.094 0.000 0.876 459 G N 2.279 111.079 108.800 -0.000 0.000 3.340 459 G HA2 0.432 4.392 3.960 0.000 0.000 0.176 459 G HA3 0.432 4.392 3.960 0.000 0.000 0.176 459 G C -0.469 174.390 174.900 -0.068 0.000 1.103 459 G CA -0.331 44.727 45.100 -0.069 0.000 0.779 459 G HN 0.683 nan 8.290 nan 0.000 0.673 460 N N -1.264 117.374 118.700 -0.103 0.000 3.167 460 N HA 0.203 4.943 4.740 0.000 0.000 0.323 460 N C 0.631 176.084 175.510 -0.095 0.000 1.478 460 N CA -0.640 52.353 53.050 -0.095 0.000 0.753 460 N CB 0.257 38.670 38.487 -0.122 0.000 1.721 460 N HN 0.346 nan 8.380 nan 0.000 0.618 461 N N -0.254 118.398 118.700 -0.081 0.000 2.037 461 N HA -0.254 4.486 4.740 0.000 0.000 0.196 461 N C 0.899 176.351 175.510 -0.097 0.000 1.034 461 N CA 1.776 54.785 53.050 -0.068 0.000 0.861 461 N CB 0.009 38.463 38.487 -0.055 0.000 1.039 461 N HN 0.733 nan 8.380 nan 0.000 0.427 462 E N -0.638 119.475 120.200 -0.145 0.000 2.216 462 E HA -0.018 4.332 4.350 0.000 0.000 0.192 462 E C -0.159 176.184 176.600 -0.429 0.000 0.988 462 E CA 0.522 56.799 56.400 -0.205 0.000 0.834 462 E CB 0.334 29.922 29.700 -0.188 0.000 0.772 462 E HN 0.282 nan 8.360 nan 0.000 0.479 463 c N 2.729 121.086 118.600 -0.404 0.000 3.414 463 c HA 0.426 4.996 4.570 0.000 0.000 0.208 463 c C -2.300 171.652 174.090 -0.230 0.000 1.422 463 c CA -1.461 54.535 56.329 -0.555 0.000 1.437 463 c CB 0.114 42.349 42.510 -0.460 0.000 1.850 463 c HN 0.349 nan 8.230 nan 0.000 0.481 464 P HA 0.052 nan 4.420 nan 0.000 0.297 464 P C 0.243 177.588 177.300 0.076 0.000 1.303 464 P CA -0.344 62.760 63.100 0.006 0.000 0.753 464 P CB 0.584 32.309 31.700 0.043 0.000 1.281 465 W N 0.166 121.427 121.300 -0.066 0.000 2.391 465 W HA 0.077 4.737 4.660 0.000 0.000 0.339 465 W C 0.964 177.452 176.519 -0.052 0.000 1.252 465 W CA 2.538 59.839 57.345 -0.074 0.000 1.304 465 W CB -0.863 28.554 29.460 -0.072 0.000 1.179 465 W HN 0.887 nan 8.180 nan 0.000 0.567 466 G N 2.866 111.521 108.800 -0.242 0.000 2.234 466 G HA2 -0.386 3.574 3.960 0.000 0.000 0.260 466 G HA3 -0.386 3.574 3.960 0.000 0.000 0.260 466 G C 0.389 175.265 174.900 -0.040 0.000 0.987 466 G CA 0.657 45.705 45.100 -0.086 0.000 0.625 466 G HN 0.978 nan 8.290 nan 0.000 0.532 467 H N 1.281 120.291 119.070 -0.099 0.000 3.073 467 H HA 0.385 4.941 4.556 0.000 0.000 0.340 467 H C 1.593 176.878 175.328 -0.071 0.000 1.054 467 H CA 1.857 57.873 56.048 -0.053 0.000 1.372 467 H CB 0.735 30.474 29.762 -0.040 0.000 1.314 467 H HN 0.488 nan 8.280 nan 0.000 0.603 468 S N 1.108 116.609 115.700 -0.332 0.000 2.800 468 S HA 0.177 4.647 4.470 0.000 0.000 0.266 468 S C -0.359 174.292 174.600 0.085 0.000 1.029 468 S CA -0.409 57.751 58.200 -0.067 0.000 1.302 468 S CB -0.600 62.574 63.200 -0.043 0.000 1.212 468 S HN 0.427 nan 8.310 nan 0.000 0.683 469 c N 5.045 123.490 118.600 -0.257 0.000 2.355 469 c HA 0.663 5.233 4.570 0.000 0.000 0.332 469 c C -2.366 171.617 174.090 -0.178 0.000 1.255 469 c CA -1.825 54.392 56.329 -0.188 0.000 1.792 469 c CB 1.209 43.575 42.510 -0.241 0.000 2.300 469 c HN 0.354 nan 8.230 nan 0.000 0.515 470 P HA 0.100 nan 4.420 nan 0.000 0.262 470 P C -0.782 176.215 177.300 -0.506 0.000 1.182 470 P CA 1.094 63.349 63.100 -1.407 0.000 0.761 470 P CB 0.636 31.576 31.700 -1.267 0.000 0.795 471 D N 1.604 121.817 120.400 -0.312 0.000 2.623 471 D HA 0.260 4.900 4.640 0.000 0.000 0.241 471 D C -0.072 176.218 176.300 -0.017 0.000 1.241 471 D CA -0.438 53.521 54.000 -0.069 0.000 0.788 471 D CB 1.946 42.770 40.800 0.041 0.000 1.413 471 D HN 0.302 nan 8.370 nan 0.000 0.429 472 G N 0.801 109.562 108.800 -0.065 0.000 3.343 472 G HA2 0.472 4.432 3.960 0.000 0.000 0.279 472 G HA3 0.472 4.432 3.960 0.000 0.000 0.279 472 G C 0.388 175.168 174.900 -0.201 0.000 0.919 472 G CA -0.239 44.807 45.100 -0.090 0.000 1.812 472 G HN 0.498 nan 8.290 nan 0.000 0.584 473 c N 0.556 119.007 118.600 -0.247 0.000 2.561 473 c HA 0.846 5.416 4.570 0.000 0.000 0.319 473 c C -0.140 173.616 174.090 -0.557 0.000 1.198 473 c CA -1.492 54.615 56.329 -0.369 0.000 1.665 473 c CB 1.045 43.377 42.510 -0.296 0.000 2.258 473 c HN 0.447 nan 8.230 nan 0.000 0.493 474 I N 2.632 122.843 120.570 -0.598 0.000 2.493 474 I HA 0.539 4.709 4.170 0.000 0.000 0.279 474 I C 0.294 176.161 176.117 -0.416 0.000 1.045 474 I CA 0.508 61.422 61.300 -0.642 0.000 1.106 474 I CB 1.413 39.026 38.000 -0.645 0.000 1.216 474 I HN 1.035 nan 8.210 nan 0.000 0.459 475 T N 3.022 117.372 114.554 -0.340 0.000 2.611 475 T HA 0.811 5.161 4.350 0.000 0.000 0.269 475 T C -0.014 174.581 174.700 -0.176 0.000 1.032 475 T CA 0.428 62.395 62.100 -0.222 0.000 1.178 475 T CB 0.903 69.640 68.868 -0.217 0.000 1.651 475 T HN 1.031 nan 8.240 nan 0.000 0.456 476 G N -0.178 108.539 108.800 -0.139 0.000 2.693 476 G HA2 0.221 4.181 3.960 0.000 0.000 0.226 476 G HA3 0.221 4.181 3.960 0.000 0.000 0.226 476 G C -0.440 174.431 174.900 -0.049 0.000 1.354 476 G CA 0.079 45.110 45.100 -0.116 0.000 0.873 476 G HN 1.804 nan 8.290 nan 0.000 0.562 477 V N -1.184 118.712 119.914 -0.030 0.000 3.225 477 V HA 0.638 4.758 4.120 0.000 0.000 0.293 477 V C -1.052 175.077 176.094 0.057 0.000 1.405 477 V CA -0.395 61.933 62.300 0.047 0.000 1.038 477 V CB 1.777 33.635 31.823 0.060 0.000 1.123 477 V HN 1.882 nan 8.190 nan 0.000 0.447 478 Y N 4.135 124.427 120.300 -0.014 0.000 2.436 478 Y HA 0.614 5.164 4.550 0.000 0.000 0.343 478 Y C 0.520 176.289 175.900 -0.217 0.000 1.008 478 Y CA 0.964 59.013 58.100 -0.085 0.000 1.241 478 Y CB 1.076 39.437 38.460 -0.166 0.000 1.153 478 Y HN 0.851 nan 8.280 nan 0.000 0.521 479 T N 2.857 117.187 114.554 -0.373 0.000 3.223 479 T HA 0.200 4.550 4.350 0.000 0.000 0.334 479 T C -1.085 173.214 174.700 -0.669 0.000 0.940 479 T CA -1.070 60.813 62.100 -0.361 0.000 1.272 479 T CB -0.236 68.530 68.868 -0.170 0.000 0.982 479 T HN 0.648 nan 8.240 nan 0.000 0.512 480 D N 2.338 122.060 120.400 -1.130 0.000 2.360 480 D HA 0.560 5.200 4.640 0.000 0.000 0.242 480 D C 0.034 175.850 176.300 -0.807 0.000 1.184 480 D CA -0.643 52.357 54.000 -1.667 0.000 0.930 480 D CB 0.769 40.716 40.800 -1.422 0.000 1.161 480 D HN 0.795 nan 8.370 nan 0.000 0.447 481 A N 0.307 122.700 122.820 -0.710 0.000 2.414 481 A HA 0.499 4.819 4.320 0.000 0.000 0.306 481 A C -1.799 175.667 177.584 -0.196 0.000 1.054 481 A CA -0.903 50.937 52.037 -0.329 0.000 0.724 481 A CB 0.987 19.809 19.000 -0.297 0.000 1.267 481 A HN 0.586 nan 8.150 nan 0.000 0.418 482 Y N 3.950 124.116 120.300 -0.223 0.000 2.328 482 Y HA 0.515 5.065 4.550 0.000 0.000 0.337 482 Y C -2.169 173.606 175.900 -0.208 0.000 1.008 482 Y CA -2.093 55.887 58.100 -0.200 0.000 1.129 482 Y CB 1.773 40.128 38.460 -0.175 0.000 1.185 482 Y HN 0.487 nan 8.280 nan 0.000 0.476 483 P HA 0.066 nan 4.420 nan 0.000 0.276 483 P C -0.140 177.063 177.300 -0.162 0.000 1.235 483 P CA 0.276 63.178 63.100 -0.331 0.000 0.772 483 P CB 1.519 32.816 31.700 -0.672 0.000 0.871 484 L N 1.407 122.575 121.223 -0.091 0.000 2.515 484 L HA 0.125 4.465 4.340 0.000 0.000 0.223 484 L C 1.197 178.046 176.870 -0.034 0.000 1.079 484 L CA 0.387 55.228 54.840 0.003 0.000 0.857 484 L CB -0.373 41.697 42.059 0.017 0.000 1.050 484 L HN 0.457 nan 8.230 nan 0.000 0.476 485 N N -1.008 117.529 118.700 -0.272 0.000 2.402 485 N HA 0.303 5.043 4.740 0.000 0.000 0.294 485 N C -2.428 173.083 175.510 0.001 0.000 1.203 485 N CA -2.161 50.725 53.050 -0.273 0.000 0.838 485 N CB 0.901 38.927 38.487 -0.769 0.000 1.306 485 N HN -0.353 nan 8.380 nan 0.000 0.510 486 P HA -0.199 nan 4.420 nan 0.000 0.217 486 P C 0.996 178.428 177.300 0.220 0.000 1.158 486 P CA 2.800 66.016 63.100 0.193 0.000 0.887 486 P CB -0.061 31.734 31.700 0.159 0.000 0.792 487 T N -6.070 108.566 114.554 0.136 0.000 3.100 487 T HA 0.307 4.657 4.350 0.000 0.000 0.253 487 T C 1.440 176.257 174.700 0.196 0.000 1.118 487 T CA 0.443 62.623 62.100 0.133 0.000 1.058 487 T CB -0.763 68.151 68.868 0.076 0.000 0.953 487 T HN 0.274 nan 8.240 nan 0.000 0.515 488 G N 1.559 110.461 108.800 0.171 0.000 2.147 488 G HA2 -0.315 3.645 3.960 0.000 0.000 0.244 488 G HA3 -0.315 3.645 3.960 0.000 0.000 0.244 488 G C 0.930 175.931 174.900 0.169 0.000 1.005 488 G CA 0.714 45.904 45.100 0.150 0.000 0.713 488 G HN 1.093 nan 8.290 nan 0.000 0.515 489 S N -1.153 114.563 115.700 0.025 0.000 2.527 489 S HA 0.448 4.918 4.470 0.000 0.000 0.222 489 S C 0.853 175.414 174.600 -0.064 0.000 0.985 489 S CA 0.524 58.657 58.200 -0.112 0.000 0.921 489 S CB 0.313 63.449 63.200 -0.107 0.000 0.772 489 S HN 0.612 nan 8.310 nan 0.000 0.529 490 I N 2.543 123.060 120.570 -0.088 0.000 2.418 490 I HA 0.557 4.727 4.170 0.000 0.000 0.287 490 I C -0.613 175.455 176.117 -0.080 0.000 1.008 490 I CA -1.080 60.142 61.300 -0.130 0.000 1.104 490 I CB 2.120 39.866 38.000 -0.424 0.000 1.264 490 I HN 0.128 nan 8.210 nan 0.000 0.438 491 V N 1.916 121.833 119.914 0.005 0.000 3.160 491 V HA 0.702 4.822 4.120 0.000 0.000 0.310 491 V C -0.692 175.376 176.094 -0.042 0.000 1.181 491 V CA -0.644 61.645 62.300 -0.018 0.000 1.047 491 V CB 2.035 33.815 31.823 -0.072 0.000 1.068 491 V HN 0.658 nan 8.190 nan 0.000 0.441 492 S N 0.869 116.508 115.700 -0.101 0.000 2.473 492 S HA 0.837 5.307 4.470 0.000 0.000 0.307 492 S C -0.630 173.837 174.600 -0.221 0.000 1.094 492 S CA 0.189 58.185 58.200 -0.341 0.000 1.070 492 S CB 1.069 64.101 63.200 -0.280 0.000 1.019 492 S HN 1.745 nan 8.310 nan 0.000 0.480 493 S N 2.966 118.506 115.700 -0.267 0.000 2.567 493 S HA 0.588 5.058 4.470 0.000 0.000 0.270 493 S C -1.825 172.654 174.600 -0.202 0.000 1.152 493 S CA -0.515 57.572 58.200 -0.187 0.000 0.835 493 S CB 1.333 64.403 63.200 -0.217 0.000 1.115 493 S HN 0.589 nan 8.310 nan 0.000 0.459 494 V N 5.043 124.868 119.914 -0.148 0.000 2.294 494 V HA 0.447 4.567 4.120 0.000 0.000 0.272 494 V C 0.294 176.318 176.094 -0.117 0.000 1.027 494 V CA -0.568 61.627 62.300 -0.175 0.000 0.823 494 V CB 0.178 31.912 31.823 -0.149 0.000 1.030 494 V HN 0.716 nan 8.190 nan 0.000 0.457 495 I N 2.500 123.018 120.570 -0.086 0.000 2.797 495 I HA 0.583 4.753 4.170 0.000 0.000 0.310 495 I C -0.401 175.734 176.117 0.030 0.000 0.990 495 I CA -0.771 60.533 61.300 0.006 0.000 1.228 495 I CB 1.278 39.356 38.000 0.131 0.000 1.406 495 I HN 0.297 nan 8.210 nan 0.000 0.534 496 L N 2.819 124.108 121.223 0.109 0.000 2.321 496 L HA 0.245 4.585 4.340 0.000 0.000 0.272 496 L C -0.399 176.520 176.870 0.083 0.000 1.050 496 L CA -0.313 54.565 54.840 0.064 0.000 0.893 496 L CB 0.373 42.473 42.059 0.068 0.000 1.272 496 L HN 0.615 nan 8.230 nan 0.000 0.435 497 D N 2.233 122.592 120.400 -0.068 0.000 2.598 497 D HA 0.094 4.734 4.640 0.000 0.000 0.231 497 D C -0.222 175.875 176.300 -0.339 0.000 1.127 497 D CA 0.658 54.470 54.000 -0.312 0.000 1.126 497 D CB 0.305 40.939 40.800 -0.278 0.000 1.124 497 D HN 0.345 nan 8.370 nan 0.000 0.485 498 S N 1.267 116.787 115.700 -0.300 0.000 2.547 498 S HA 0.151 4.621 4.470 0.000 0.000 0.270 498 S C 0.676 175.226 174.600 -0.084 0.000 1.150 498 S CA -0.674 57.408 58.200 -0.197 0.000 0.850 498 S CB 1.457 64.608 63.200 -0.082 0.000 1.118 498 S HN 0.150 nan 8.310 nan 0.000 0.461 499 Q N 1.941 121.694 119.800 -0.079 0.000 2.050 499 Q HA -0.018 4.322 4.340 0.000 0.000 0.202 499 Q C 0.754 176.801 176.000 0.079 0.000 0.980 499 Q CA 1.627 57.452 55.803 0.038 0.000 0.840 499 Q CB -0.059 28.675 28.738 -0.008 0.000 0.898 499 Q HN 0.754 nan 8.270 nan 0.000 0.424 500 K N -0.938 119.479 120.400 0.028 0.000 2.590 500 K HA 0.141 4.461 4.320 0.000 0.000 0.218 500 K C 0.512 177.116 176.600 0.007 0.000 1.536 500 K CA 0.154 56.450 56.287 0.016 0.000 1.013 500 K CB 0.893 33.391 32.500 -0.005 0.000 1.265 500 K HN 0.020 nan 8.250 nan 0.000 0.603 501 S N 1.414 117.114 115.700 0.001 0.000 2.585 501 S HA 0.376 4.846 4.470 0.000 0.000 0.277 501 S C 0.065 174.669 174.600 0.007 0.000 1.241 501 S CA -0.882 57.317 58.200 -0.001 0.000 1.041 501 S CB 1.420 64.613 63.200 -0.011 0.000 0.987 501 S HN 0.113 nan 8.310 nan 0.000 0.512 502 R N 1.702 122.208 120.500 0.011 0.000 3.701 502 R HA 0.380 4.720 4.340 0.000 0.000 0.210 502 R C -0.017 176.287 176.300 0.007 0.000 1.598 502 R CA -0.286 55.825 56.100 0.019 0.000 1.427 502 R CB -0.388 29.930 30.300 0.030 0.000 1.339 502 R HN 0.644 nan 8.270 nan 0.000 0.720 503 V N -2.798 117.112 119.914 -0.007 0.000 3.105 503 V HA 0.396 4.516 4.120 0.000 0.000 0.311 503 V C 0.437 176.508 176.094 -0.038 0.000 1.287 503 V CA -1.206 61.081 62.300 -0.022 0.000 1.066 503 V CB 1.781 33.587 31.823 -0.028 0.000 1.105 503 V HN 0.771 nan 8.190 nan 0.000 0.462 504 N N 1.091 119.760 118.700 -0.051 0.000 2.688 504 N HA -0.095 4.645 4.740 0.000 0.000 0.258 504 N C -2.246 173.213 175.510 -0.085 0.000 1.016 504 N CA 0.383 53.389 53.050 -0.072 0.000 0.747 504 N CB -0.316 38.118 38.487 -0.088 0.000 0.895 504 N HN 0.801 nan 8.380 nan 0.000 0.543 505 P HA 0.059 nan 4.420 nan 0.000 0.268 505 P C -0.522 176.682 177.300 -0.160 0.000 1.204 505 P CA 0.173 63.205 63.100 -0.115 0.000 0.768 505 P CB 1.226 32.843 31.700 -0.138 0.000 0.842 506 V N 5.451 125.272 119.914 -0.155 0.000 2.525 506 V HA 0.295 4.415 4.120 0.000 0.000 0.299 506 V C 0.523 176.489 176.094 -0.213 0.000 1.034 506 V CA -0.686 61.513 62.300 -0.168 0.000 0.863 506 V CB 1.755 33.506 31.823 -0.119 0.000 0.999 506 V HN 0.407 nan 8.190 nan 0.000 0.423 507 I N 4.070 124.474 120.570 -0.277 0.000 2.379 507 I HA 0.349 4.519 4.170 0.000 0.000 0.290 507 I C 0.446 176.411 176.117 -0.252 0.000 1.063 507 I CA 0.636 61.707 61.300 -0.380 0.000 1.351 507 I CB 1.190 38.902 38.000 -0.481 0.000 1.410 507 I HN 0.622 nan 8.210 nan 0.000 0.505 508 T N 5.688 120.069 114.554 -0.290 0.000 2.900 508 T HA 0.509 4.859 4.350 0.000 0.000 0.295 508 T C -1.243 173.255 174.700 -0.337 0.000 1.044 508 T CA -0.390 61.599 62.100 -0.185 0.000 0.995 508 T CB 0.766 69.577 68.868 -0.095 0.000 1.072 508 T HN 0.261 nan 8.240 nan 0.000 0.473 509 Y N 2.437 122.739 120.300 0.004 0.000 2.388 509 Y HA 0.578 5.128 4.550 0.000 0.000 0.328 509 Y C 0.493 176.412 175.900 0.031 0.000 0.963 509 Y CA -0.484 57.633 58.100 0.029 0.000 1.240 509 Y CB 1.684 40.177 38.460 0.055 0.000 1.118 509 Y HN 0.584 nan 8.280 nan 0.000 0.484 510 S N 1.969 117.729 115.700 0.099 0.000 2.599 510 S HA 0.759 5.229 4.470 0.000 0.000 0.287 510 S C -0.147 174.503 174.600 0.084 0.000 1.105 510 S CA -0.408 57.842 58.200 0.084 0.000 0.899 510 S CB 1.258 64.484 63.200 0.043 0.000 1.100 510 S HN 0.628 nan 8.310 nan 0.000 0.482 511 T N -0.013 114.585 114.554 0.075 0.000 2.893 511 T HA 0.716 5.066 4.350 0.000 0.000 0.279 511 T C 1.489 176.204 174.700 0.025 0.000 0.991 511 T CA -0.154 61.974 62.100 0.046 0.000 0.950 511 T CB 0.538 69.434 68.868 0.047 0.000 1.223 511 T HN 0.949 nan 8.240 nan 0.000 0.585 512 A N 0.335 123.094 122.820 -0.101 0.000 1.969 512 A HA 0.056 4.376 4.320 0.000 0.000 0.218 512 A C 2.298 179.766 177.584 -0.194 0.000 1.169 512 A CA 1.932 53.798 52.037 -0.285 0.000 0.635 512 A CB -1.411 17.370 19.000 -0.365 0.000 0.810 512 A HN 1.073 nan 8.150 nan 0.000 0.445 513 T N -2.320 112.212 114.554 -0.037 0.000 3.023 513 T HA 0.307 4.657 4.350 0.000 0.000 0.253 513 T C 0.121 174.843 174.700 0.036 0.000 1.038 513 T CA 0.321 62.434 62.100 0.022 0.000 0.962 513 T CB -0.196 68.740 68.868 0.113 0.000 1.018 513 T HN 0.703 nan 8.240 nan 0.000 0.521 514 E N 0.237 120.460 120.200 0.039 0.000 2.381 514 E HA 0.358 4.708 4.350 0.000 0.000 0.286 514 E C -1.457 175.178 176.600 0.059 0.000 0.960 514 E CA -1.145 55.285 56.400 0.051 0.000 0.793 514 E CB 1.136 30.870 29.700 0.057 0.000 1.225 514 E HN -0.000 nan 8.360 nan 0.000 0.420 515 R N 2.236 122.769 120.500 0.055 0.000 2.248 515 R HA 0.177 4.517 4.340 0.000 0.000 0.337 515 R C 0.560 176.898 176.300 0.063 0.000 1.085 515 R CA -0.072 56.062 56.100 0.057 0.000 0.934 515 R CB 0.958 31.283 30.300 0.042 0.000 1.034 515 R HN 0.447 nan 8.270 nan 0.000 0.465 516 V N 1.869 121.835 119.914 0.087 0.000 2.426 516 V HA -0.034 4.086 4.120 0.000 0.000 0.242 516 V C 0.760 176.905 176.094 0.086 0.000 1.036 516 V CA 1.003 63.356 62.300 0.088 0.000 1.044 516 V CB -0.269 31.620 31.823 0.110 0.000 0.688 516 V HN 0.656 nan 8.190 nan 0.000 0.462 517 N N 0.868 119.642 118.700 0.123 0.000 2.500 517 N HA 0.291 5.031 4.740 0.000 0.000 0.291 517 N C -1.164 174.447 175.510 0.167 0.000 1.092 517 N CA -0.265 52.857 53.050 0.119 0.000 0.890 517 N CB 1.830 40.378 38.487 0.100 0.000 1.466 517 N HN 0.733 nan 8.380 nan 0.000 0.507 518 E N 1.678 121.934 120.200 0.094 0.000 2.458 518 E HA 0.615 4.965 4.350 0.000 0.000 0.278 518 E C -1.670 174.941 176.600 0.018 0.000 1.004 518 E CA -0.987 55.449 56.400 0.061 0.000 0.823 518 E CB 2.045 31.749 29.700 0.008 0.000 1.396 518 E HN 0.193 nan 8.360 nan 0.000 0.463 519 L N 0.902 122.108 121.223 -0.027 0.000 2.476 519 L HA 0.670 5.010 4.340 0.000 0.000 0.269 519 L C -1.405 175.409 176.870 -0.094 0.000 0.965 519 L CA -0.332 54.481 54.840 -0.045 0.000 0.845 519 L CB 1.807 43.849 42.059 -0.029 0.000 1.259 519 L HN 0.819 nan 8.230 nan 0.000 0.403 520 A N 5.375 128.147 122.820 -0.081 0.000 2.409 520 A HA 0.379 4.699 4.320 0.000 0.000 0.267 520 A C 1.231 178.749 177.584 -0.110 0.000 1.127 520 A CA -0.175 51.800 52.037 -0.102 0.000 0.795 520 A CB -0.113 18.840 19.000 -0.079 0.000 1.061 520 A HN 0.903 nan 8.150 nan 0.000 0.502 521 I N 1.314 121.783 120.570 -0.169 0.000 2.264 521 I HA -0.196 3.974 4.170 0.000 0.000 0.248 521 I C 1.456 177.534 176.117 -0.065 0.000 1.111 521 I CA 1.447 62.643 61.300 -0.174 0.000 1.382 521 I CB -0.162 37.628 38.000 -0.351 0.000 1.060 521 I HN 0.730 nan 8.210 nan 0.000 0.418 522 L N -1.055 120.130 121.223 -0.063 0.000 3.366 522 L HA 0.317 4.657 4.340 0.000 0.000 0.222 522 L C -1.277 175.569 176.870 -0.041 0.000 1.526 522 L CA 0.020 54.842 54.840 -0.030 0.000 1.981 522 L CB -0.170 41.883 42.059 -0.010 0.000 1.995 522 L HN 0.344 nan 8.230 nan 0.000 0.669 523 N N -2.265 116.411 118.700 -0.040 0.000 3.526 523 N HA 0.269 5.009 4.740 0.000 0.000 0.328 523 N C -0.053 175.430 175.510 -0.046 0.000 1.601 523 N CA -0.477 52.545 53.050 -0.046 0.000 0.834 523 N CB 0.246 38.712 38.487 -0.036 0.000 1.983 523 N HN 0.101 nan 8.380 nan 0.000 0.579 524 R N -0.417 120.055 120.500 -0.047 0.000 2.249 524 R HA -0.043 4.297 4.340 0.000 0.000 0.230 524 R C 1.051 177.333 176.300 -0.031 0.000 1.121 524 R CA 1.726 57.800 56.100 -0.045 0.000 0.997 524 R CB -1.444 28.828 30.300 -0.046 0.000 0.867 524 R HN 0.894 nan 8.270 nan 0.000 0.465 525 T N -1.747 112.793 114.554 -0.023 0.000 3.160 525 T HA 0.051 4.401 4.350 0.000 0.000 0.257 525 T C 0.775 175.468 174.700 -0.013 0.000 1.147 525 T CA -0.125 61.967 62.100 -0.014 0.000 1.064 525 T CB -0.073 68.792 68.868 -0.006 0.000 0.949 525 T HN -0.024 nan 8.240 nan 0.000 0.526 526 L N 2.844 124.054 121.223 -0.021 0.000 2.259 526 L HA 0.539 4.879 4.340 0.000 0.000 0.288 526 L C 0.076 176.929 176.870 -0.030 0.000 1.051 526 L CA -0.639 54.185 54.840 -0.025 0.000 0.824 526 L CB 0.795 42.838 42.059 -0.027 0.000 1.206 526 L HN 0.165 nan 8.230 nan 0.000 0.429 527 S N 4.590 120.272 115.700 -0.030 0.000 2.474 527 S HA 0.829 5.299 4.470 0.000 0.000 0.276 527 S C -0.131 174.455 174.600 -0.024 0.000 1.227 527 S CA 0.116 58.303 58.200 -0.022 0.000 1.050 527 S CB 0.171 63.362 63.200 -0.015 0.000 0.939 527 S HN 0.993 nan 8.310 nan 0.000 0.490 528 A N 3.637 126.455 122.820 -0.002 0.000 2.569 528 A HA 0.931 5.251 4.320 0.000 0.000 0.290 528 A C 0.309 177.924 177.584 0.051 0.000 1.136 528 A CA -0.351 51.699 52.037 0.020 0.000 0.710 528 A CB 1.140 20.151 19.000 0.018 0.000 1.303 528 A HN 1.072 nan 8.150 nan 0.000 0.413 529 G N -1.171 107.685 108.800 0.093 0.000 3.359 529 G HA2 0.449 4.409 3.960 0.000 0.000 0.187 529 G HA3 0.449 4.409 3.960 0.000 0.000 0.187 529 G C -0.253 174.773 174.900 0.210 0.000 1.294 529 G CA -0.185 44.995 45.100 0.133 0.000 0.769 529 G HN 1.075 nan 8.290 nan 0.000 0.733 530 Y N 2.198 122.559 120.300 0.101 0.000 2.904 530 Y HA 0.317 4.867 4.550 0.000 0.000 0.336 530 Y C 0.488 176.490 175.900 0.170 0.000 1.263 530 Y CA 0.833 59.028 58.100 0.157 0.000 1.547 530 Y CB 0.498 39.029 38.460 0.118 0.000 1.272 530 Y HN 0.531 nan 8.280 nan 0.000 0.596 531 T N 3.046 117.665 114.554 0.107 0.000 2.909 531 T HA 0.513 4.863 4.350 0.000 0.000 0.299 531 T C -0.768 173.953 174.700 0.036 0.000 1.073 531 T CA -0.751 61.441 62.100 0.154 0.000 0.999 531 T CB 1.811 70.720 68.868 0.069 0.000 1.098 531 T HN 0.741 nan 8.240 nan 0.000 0.477 532 T N 0.941 115.609 114.554 0.190 0.000 2.909 532 T HA 0.691 5.041 4.350 0.000 0.000 0.299 532 T C -1.326 173.462 174.700 0.148 0.000 1.073 532 T CA -0.347 61.855 62.100 0.169 0.000 0.999 532 T CB 1.878 70.932 68.868 0.310 0.000 1.098 532 T HN 0.862 nan 8.240 nan 0.000 0.477 533 T N 2.760 117.357 114.554 0.072 0.000 2.937 533 T HA 0.607 4.957 4.350 0.000 0.000 0.297 533 T C -1.192 173.511 174.700 0.005 0.000 0.991 533 T CA -0.581 61.521 62.100 0.003 0.000 0.990 533 T CB 1.403 70.280 68.868 0.014 0.000 0.991 533 T HN 0.552 nan 8.240 nan 0.000 0.440 534 S N 1.979 117.638 115.700 -0.068 0.000 2.532 534 S HA 0.675 5.145 4.470 0.000 0.000 0.299 534 S C -0.436 173.927 174.600 -0.396 0.000 1.105 534 S CA -0.537 57.607 58.200 -0.093 0.000 1.018 534 S CB 0.280 63.535 63.200 0.091 0.000 1.021 534 S HN 0.863 nan 8.310 nan 0.000 0.483 535 c N 5.189 123.134 118.600 -1.091 0.000 2.470 535 c HA 0.830 5.400 4.570 0.000 0.000 0.341 535 c C 0.052 173.810 174.090 -0.555 0.000 1.190 535 c CA -0.895 54.913 56.329 -0.868 0.000 1.904 535 c CB 0.293 42.188 42.510 -1.025 0.000 2.354 535 c HN 0.910 nan 8.230 nan 0.000 0.509 536 I N -0.396 119.988 120.570 -0.310 0.000 3.174 536 I HA 0.866 5.037 4.170 0.000 0.000 0.313 536 I C -0.481 175.598 176.117 -0.064 0.000 1.155 536 I CA -0.314 60.909 61.300 -0.129 0.000 0.977 536 I CB 2.329 40.303 38.000 -0.044 0.000 1.248 536 I HN 0.680 nan 8.210 nan 0.000 0.453 537 T N -1.382 113.189 114.554 0.029 0.000 2.887 537 T HA 0.429 4.779 4.350 0.000 0.000 0.288 537 T C -0.937 173.882 174.700 0.199 0.000 1.021 537 T CA -0.473 61.704 62.100 0.128 0.000 1.000 537 T CB 1.352 70.320 68.868 0.167 0.000 1.034 537 T HN 0.873 nan 8.240 nan 0.000 0.467 538 H N 1.738 120.900 119.070 0.153 0.000 2.675 538 H HA 0.262 4.819 4.556 0.000 0.000 0.258 538 H C -0.967 174.462 175.328 0.167 0.000 1.271 538 H CA -1.155 54.944 56.048 0.086 0.000 1.462 538 H CB 0.049 29.926 29.762 0.193 0.000 1.467 538 H HN 0.887 nan 8.280 nan 0.000 0.501 539 Y N 3.049 123.468 120.300 0.199 0.000 2.994 539 Y HA -0.342 4.208 4.550 0.000 0.000 0.168 539 Y C 0.183 176.117 175.900 0.057 0.000 1.648 539 Y CA 0.437 58.580 58.100 0.072 0.000 0.924 539 Y CB -1.557 36.873 38.460 -0.051 0.000 1.415 539 Y HN 0.863 nan 8.280 nan 0.000 0.391 540 N N 1.019 119.867 118.700 0.246 0.000 2.637 540 N HA -0.201 4.539 4.740 0.000 0.000 0.287 540 N C -0.750 174.842 175.510 0.137 0.000 1.130 540 N CA 1.151 54.316 53.050 0.191 0.000 0.764 540 N CB -0.144 38.413 38.487 0.117 0.000 0.935 540 N HN 0.381 nan 8.380 nan 0.000 0.558 541 K N 0.628 121.126 120.400 0.162 0.000 2.578 541 K HA 0.418 4.738 4.320 0.000 0.000 0.263 541 K C -0.804 175.772 176.600 -0.041 0.000 0.973 541 K CA -0.282 56.022 56.287 0.029 0.000 0.909 541 K CB 1.205 33.735 32.500 0.051 0.000 1.326 541 K HN 0.226 nan 8.250 nan 0.000 0.440 542 G N 2.734 111.447 108.800 -0.145 0.000 2.389 542 G HA2 0.680 4.641 3.960 0.000 0.000 0.328 542 G HA3 0.680 4.641 3.960 0.000 0.000 0.328 542 G C -1.449 173.037 174.900 -0.691 0.000 1.133 542 G CA -0.324 44.600 45.100 -0.294 0.000 0.891 542 G HN 0.361 nan 8.290 nan 0.000 0.485 543 Y N -0.917 119.258 120.300 -0.209 0.000 2.562 543 Y HA 0.555 5.105 4.550 0.000 0.000 0.345 543 Y C -0.084 175.552 175.900 -0.439 0.000 1.045 543 Y CA -0.868 57.058 58.100 -0.290 0.000 1.028 543 Y CB 2.231 40.469 38.460 -0.370 0.000 1.297 543 Y HN 0.622 nan 8.280 nan 0.000 0.463 544 c N 1.998 120.420 118.600 -0.298 0.000 2.626 544 c HA 0.649 5.219 4.570 0.000 0.000 0.310 544 c C -0.946 172.731 174.090 -0.689 0.000 1.191 544 c CA -1.174 54.857 56.329 -0.497 0.000 1.517 544 c CB 0.322 42.604 42.510 -0.380 0.000 2.102 544 c HN 0.644 nan 8.230 nan 0.000 0.479 545 F N 2.599 122.285 119.950 -0.440 0.000 2.421 545 F HA 0.473 5.000 4.527 0.000 0.000 0.337 545 F C 0.806 176.324 175.800 -0.469 0.000 1.105 545 F CA -0.238 57.562 58.000 -0.335 0.000 1.049 545 F CB 0.922 39.781 39.000 -0.234 0.000 1.139 545 F HN 0.503 nan 8.300 nan 0.000 0.479 546 H N 4.647 123.854 119.070 0.229 0.000 2.658 546 H HA 0.460 5.016 4.556 0.000 0.000 0.337 546 H C -0.696 174.785 175.328 0.255 0.000 1.009 546 H CA -0.505 55.658 56.048 0.192 0.000 1.231 546 H CB 2.059 31.914 29.762 0.155 0.000 1.508 546 H HN 0.468 nan 8.280 nan 0.000 0.517 547 I N 3.768 124.530 120.570 0.319 0.000 2.339 547 I HA 0.226 4.396 4.170 0.000 0.000 0.290 547 I C -0.161 176.166 176.117 0.349 0.000 0.994 547 I CA -0.831 60.648 61.300 0.298 0.000 1.191 547 I CB 1.650 39.796 38.000 0.244 0.000 1.343 547 I HN 0.137 nan 8.210 nan 0.000 0.458 548 V N 5.951 126.087 119.914 0.370 0.000 2.495 548 V HA 0.265 4.385 4.120 0.000 0.000 0.298 548 V C 0.071 176.325 176.094 0.267 0.000 1.031 548 V CA -0.847 61.641 62.300 0.314 0.000 0.871 548 V CB 1.968 33.954 31.823 0.273 0.000 0.988 548 V HN 0.619 nan 8.190 nan 0.000 0.432 549 E N 4.842 125.181 120.200 0.230 0.000 2.180 549 E HA 0.319 4.669 4.350 0.000 0.000 0.283 549 E C -0.912 175.749 176.600 0.101 0.000 1.061 549 E CA -0.216 56.278 56.400 0.156 0.000 0.861 549 E CB 1.226 31.013 29.700 0.145 0.000 1.056 549 E HN 0.361 nan 8.360 nan 0.000 0.407 550 I N 2.752 123.357 120.570 0.058 0.000 2.441 550 I HA 0.165 4.335 4.170 0.000 0.000 0.295 550 I C 0.338 176.378 176.117 -0.129 0.000 0.994 550 I CA -0.795 60.471 61.300 -0.056 0.000 1.144 550 I CB 1.405 39.326 38.000 -0.132 0.000 1.314 550 I HN 0.323 nan 8.210 nan 0.000 0.445 551 N N 5.589 124.205 118.700 -0.139 0.000 2.500 551 N HA 0.114 4.854 4.740 0.000 0.000 0.236 551 N C -0.600 174.825 175.510 -0.141 0.000 1.022 551 N CA -0.229 52.769 53.050 -0.086 0.000 0.935 551 N CB 0.340 38.810 38.487 -0.027 0.000 1.147 551 N HN 0.392 nan 8.380 nan 0.000 0.512 552 H N 3.131 122.226 119.070 0.042 0.000 2.620 552 H HA 0.147 4.703 4.556 0.000 0.000 0.313 552 H C 0.822 176.167 175.328 0.029 0.000 1.075 552 H CA -0.256 55.813 56.048 0.035 0.000 1.397 552 H CB 1.476 31.258 29.762 0.033 0.000 1.446 552 H HN 0.374 nan 8.280 nan 0.000 0.493 553 K N 2.091 122.574 120.400 0.138 0.000 2.243 553 K HA -0.020 4.300 4.320 0.000 0.000 0.201 553 K C 1.857 178.503 176.600 0.077 0.000 1.051 553 K CA 0.258 56.596 56.287 0.085 0.000 0.970 553 K CB 0.037 32.573 32.500 0.059 0.000 0.755 553 K HN 0.399 nan 8.250 nan 0.000 0.465 554 S N 1.577 117.330 115.700 0.088 0.000 2.378 554 S HA -0.148 4.322 4.470 0.000 0.000 0.229 554 S C 1.481 176.105 174.600 0.040 0.000 1.052 554 S CA 1.308 59.539 58.200 0.051 0.000 1.084 554 S CB -0.140 63.078 63.200 0.030 0.000 0.950 554 S HN 0.266 nan 8.310 nan 0.000 0.440 555 L N 1.120 122.372 121.223 0.049 0.000 3.288 555 L HA 0.342 4.682 4.340 0.000 0.000 0.293 555 L C 0.025 176.926 176.870 0.052 0.000 1.294 555 L CA -0.335 54.528 54.840 0.038 0.000 1.006 555 L CB -0.258 41.815 42.059 0.024 0.000 1.407 555 L HN 0.205 nan 8.230 nan 0.000 0.592 556 N N 2.129 120.867 118.700 0.063 0.000 2.698 556 N HA -0.184 4.556 4.740 0.000 0.000 0.258 556 N C 0.026 175.577 175.510 0.070 0.000 0.978 556 N CA 1.151 54.239 53.050 0.063 0.000 0.777 556 N CB -0.367 38.148 38.487 0.046 0.000 0.907 556 N HN 0.593 nan 8.380 nan 0.000 0.543 557 T N -1.858 112.754 114.554 0.098 0.000 2.925 557 T HA 0.523 4.873 4.350 0.000 0.000 0.285 557 T C 0.064 174.827 174.700 0.105 0.000 1.021 557 T CA -1.161 60.997 62.100 0.097 0.000 1.042 557 T CB 2.047 70.976 68.868 0.102 0.000 1.037 557 T HN 0.218 nan 8.240 nan 0.000 0.481 558 L N 2.361 123.633 121.223 0.082 0.000 2.294 558 L HA 0.481 4.821 4.340 0.000 0.000 0.283 558 L C -0.820 176.098 176.870 0.081 0.000 1.015 558 L CA -0.331 54.548 54.840 0.066 0.000 0.831 558 L CB 1.138 43.226 42.059 0.048 0.000 1.217 558 L HN 0.848 nan 8.230 nan 0.000 0.420 559 Q N 5.996 125.858 119.800 0.104 0.000 2.323 559 Q HA 0.503 4.843 4.340 0.000 0.000 0.271 559 Q C -2.606 173.467 176.000 0.123 0.000 1.048 559 Q CA -1.758 54.119 55.803 0.124 0.000 0.792 559 Q CB 3.169 32.016 28.738 0.182 0.000 1.280 559 Q HN 0.426 nan 8.270 nan 0.000 0.441 560 P HA 0.173 nan 4.420 nan 0.000 0.276 560 P C -0.912 176.453 177.300 0.107 0.000 1.235 560 P CA 0.210 63.396 63.100 0.143 0.000 0.772 560 P CB 0.502 32.315 31.700 0.188 0.000 0.871 561 M N 4.175 123.847 119.600 0.119 0.000 2.465 561 M HA 0.483 4.963 4.480 0.000 0.000 0.316 561 M C -1.421 174.836 176.300 -0.073 0.000 1.121 561 M CA -1.231 54.061 55.300 -0.013 0.000 0.934 561 M CB 1.442 34.037 32.600 -0.009 0.000 1.692 561 M HN 0.078 nan 8.290 nan 0.000 0.444 562 L N 4.035 125.109 121.223 -0.249 0.000 2.357 562 L HA 0.714 5.054 4.340 0.000 0.000 0.273 562 L C -1.943 174.679 176.870 -0.414 0.000 1.080 562 L CA 0.314 55.054 54.840 -0.166 0.000 0.803 562 L CB 0.972 42.942 42.059 -0.148 0.000 1.174 562 L HN 0.706 nan 8.230 nan 0.000 0.443 563 F N 2.754 122.787 119.950 0.138 0.000 2.591 563 F HA 0.599 5.126 4.527 0.000 0.000 0.309 563 F C -0.393 175.542 175.800 0.225 0.000 1.098 563 F CA -0.758 57.335 58.000 0.154 0.000 0.937 563 F CB 1.981 41.060 39.000 0.131 0.000 1.250 563 F HN 0.290 nan 8.300 nan 0.000 0.447 564 K N 0.987 121.588 120.400 0.334 0.000 2.426 564 K HA 0.821 5.141 4.320 0.000 0.000 0.251 564 K C -1.103 175.629 176.600 0.221 0.000 0.941 564 K CA -1.016 55.388 56.287 0.195 0.000 0.808 564 K CB 2.750 35.276 32.500 0.043 0.000 1.265 564 K HN 0.716 nan 8.250 nan 0.000 0.432 565 T N -2.092 112.585 114.554 0.205 0.000 2.883 565 T HA 0.338 4.688 4.350 0.000 0.000 0.301 565 T C -1.068 173.736 174.700 0.174 0.000 1.158 565 T CA -0.969 61.269 62.100 0.230 0.000 1.007 565 T CB 1.875 70.963 68.868 0.367 0.000 1.186 565 T HN 0.584 nan 8.240 nan 0.000 0.499 566 E N 1.083 121.343 120.200 0.101 0.000 2.216 566 E HA 0.471 4.821 4.350 0.000 0.000 0.279 566 E C -0.413 176.076 176.600 -0.184 0.000 0.997 566 E CA -0.956 55.407 56.400 -0.062 0.000 0.817 566 E CB 0.782 30.447 29.700 -0.059 0.000 1.096 566 E HN 0.589 nan 8.360 nan 0.000 0.393 567 I N 6.782 127.196 120.570 -0.261 0.000 2.587 567 I HA 0.071 4.241 4.170 0.000 0.000 0.284 567 I C -1.556 174.375 176.117 -0.309 0.000 1.134 567 I CA -1.486 59.603 61.300 -0.352 0.000 1.410 567 I CB 0.491 38.443 38.000 -0.079 0.000 1.392 567 I HN 0.441 nan 8.210 nan 0.000 0.545 568 P HA -0.001 nan 4.420 nan 0.000 0.238 568 P C -0.300 176.945 177.300 -0.091 0.000 1.714 568 P CA 0.014 62.963 63.100 -0.250 0.000 0.908 568 P CB -0.140 31.395 31.700 -0.274 0.000 1.893 569 K N 1.526 121.911 120.400 -0.025 0.000 2.201 569 K HA 0.345 4.665 4.320 0.000 0.000 0.278 569 K C -0.175 176.342 176.600 -0.137 0.000 1.027 569 K CA -0.287 55.989 56.287 -0.020 0.000 0.909 569 K CB 0.874 33.378 32.500 0.006 0.000 1.062 569 K HN 0.158 nan 8.250 nan 0.000 0.465 570 S N 2.240 117.840 115.700 -0.166 0.000 2.638 570 S HA 0.564 5.034 4.470 0.000 0.000 0.302 570 S C -0.759 173.700 174.600 -0.235 0.000 1.096 570 S CA -0.894 57.206 58.200 -0.167 0.000 0.953 570 S CB 1.328 64.465 63.200 -0.105 0.000 1.107 570 S HN 0.622 nan 8.310 nan 0.000 0.503 571 c N 2.317 120.799 118.600 -0.196 0.000 2.340 571 c HA 0.971 5.541 4.570 0.000 0.000 0.323 571 c C 0.233 174.242 174.090 -0.136 0.000 1.260 571 c CA -0.081 56.127 56.329 -0.201 0.000 1.464 571 c CB 0.101 42.493 42.510 -0.196 0.000 2.156 571 c HN 1.148 nan 8.230 nan 0.000 0.476 572 S N 0.000 115.626 115.700 -0.123 0.000 2.498 572 S HA 0.000 4.470 4.470 0.000 0.000 0.327 572 S CA 0.000 58.150 58.200 -0.084 0.000 1.107 572 S CB 0.000 63.160 63.200 -0.067 0.000 0.593 572 S HN 0.000 nan 8.310 nan 0.000 0.517