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 3jsk_1_J DATA FIRST_RESID 35 DATA SEQUENCE GLSKPLLELM PTLGTDAFTF SPIRESTVSR AMTRRYFADL DAHAETDIVI DATA SEQUENCE VGAGSCGLSA AYVLSTLRPD LRITIVEAGV APGGGAWLGG QLFSAMVMRK DATA SEQUENCE PADVFLDEVG VPYEDEGDYV VVKHAALFTS TVLSKVLQRP NVKLFNATTV DATA SEQUENCE EDLITRKHXX XXXXXXXXXX XXXXXKVRIA GVVTNWTLVS MHHDDQSXMD DATA SEQUENCE PNTINAPVII STTGHDGPFG AFSVKRLVSM KQMERLNGMR GLDMQSAEDA DATA SEQUENCE IVNNTREIVP GLIVGGMELS EIDGANRMGP TFGAMALSGV KAAHEAIRVF DATA SEQUENCE DLRKAQND 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 35 G HA2 0.000 nan 3.960 nan 0.000 0.244 35 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 35 G C 0.000 174.895 174.900 -0.008 0.000 0.946 35 G CA 0.000 45.095 45.100 -0.008 0.000 0.502 36 L N 1.136 122.354 121.223 -0.009 0.000 2.418 36 L HA 0.457 4.797 4.340 -0.000 0.000 0.265 36 L C 1.413 178.278 176.870 -0.008 0.000 1.143 36 L CA -0.662 54.173 54.840 -0.010 0.000 0.809 36 L CB 1.433 43.485 42.059 -0.012 0.000 1.124 36 L HN 0.766 nan 8.230 nan 0.000 0.456 37 S N 0.796 116.492 115.700 -0.007 0.000 2.572 37 S HA 0.099 4.569 4.470 -0.000 0.000 0.279 37 S C 0.753 175.349 174.600 -0.006 0.000 1.341 37 S CA -0.629 57.568 58.200 -0.005 0.000 1.043 37 S CB 1.095 64.293 63.200 -0.003 0.000 0.887 37 S HN 0.591 nan 8.310 nan 0.000 0.516 38 K N 2.053 122.450 120.400 -0.005 0.000 2.063 38 K HA -0.074 4.246 4.320 -0.000 0.000 0.208 38 K C -0.943 175.654 176.600 -0.005 0.000 1.048 38 K CA 1.664 57.948 56.287 -0.005 0.000 0.928 38 K CB -1.360 31.138 32.500 -0.004 0.000 0.713 38 K HN 0.501 nan 8.250 nan 0.000 0.442 39 P HA -0.199 nan 4.420 nan 0.000 0.215 39 P C 1.313 178.610 177.300 -0.004 0.000 1.157 39 P CA 0.930 64.029 63.100 -0.001 0.000 0.868 39 P CB 0.098 31.800 31.700 0.003 0.000 0.788 40 L N -0.801 120.418 121.223 -0.007 0.000 2.005 40 L HA -0.116 4.224 4.340 -0.000 0.000 0.207 40 L C 2.199 179.056 176.870 -0.022 0.000 1.072 40 L CA 1.753 56.584 54.840 -0.015 0.000 0.744 40 L CB -1.490 40.560 42.059 -0.015 0.000 0.895 40 L HN -0.135 nan 8.230 nan 0.000 0.433 41 L N -0.569 120.644 121.223 -0.018 0.000 2.129 41 L HA -0.258 4.082 4.340 -0.000 0.000 0.212 41 L C 2.444 179.303 176.870 -0.019 0.000 1.087 41 L CA 1.546 56.374 54.840 -0.019 0.000 0.757 41 L CB -0.621 41.430 42.059 -0.014 0.000 0.896 41 L HN 0.423 nan 8.230 nan 0.000 0.434 42 E N -0.408 119.784 120.200 -0.014 0.000 2.216 42 E HA -0.186 4.164 4.350 -0.000 0.000 0.192 42 E C 1.998 178.591 176.600 -0.012 0.000 0.988 42 E CA 0.576 56.969 56.400 -0.010 0.000 0.834 42 E CB 0.094 29.791 29.700 -0.005 0.000 0.772 42 E HN 0.293 nan 8.360 nan 0.000 0.479 43 L N 0.279 121.490 121.223 -0.019 0.000 2.127 43 L HA -0.028 4.312 4.340 -0.000 0.000 0.203 43 L C 2.017 178.851 176.870 -0.059 0.000 1.080 43 L CA 1.387 56.211 54.840 -0.026 0.000 0.768 43 L CB -0.249 41.791 42.059 -0.031 0.000 0.924 43 L HN 0.077 nan 8.230 nan 0.000 0.444 44 M N 0.062 119.622 119.600 -0.068 0.000 2.103 44 M HA -0.236 4.244 4.480 -0.000 0.000 0.255 44 M C -0.324 175.932 176.300 -0.074 0.000 1.074 44 M CA 2.509 57.758 55.300 -0.084 0.000 1.090 44 M CB -1.759 30.804 32.600 -0.061 0.000 1.325 44 M HN 0.208 nan 8.290 nan 0.000 0.403 45 P HA -0.059 nan 4.420 nan 0.000 0.225 45 P C 0.983 178.268 177.300 -0.025 0.000 1.148 45 P CA 1.124 64.206 63.100 -0.031 0.000 0.779 45 P CB -0.141 31.548 31.700 -0.019 0.000 0.780 46 T N -0.630 113.908 114.554 -0.026 0.000 2.978 46 T HA 0.064 4.414 4.350 -0.000 0.000 0.262 46 T C 0.777 175.472 174.700 -0.008 0.000 1.063 46 T CA 0.257 62.365 62.100 0.013 0.000 1.140 46 T CB -0.507 68.397 68.868 0.059 0.000 0.886 46 T HN 0.036 nan 8.240 nan 0.000 0.470 47 L N 1.762 122.900 121.223 -0.142 0.000 2.534 47 L HA 0.369 4.709 4.340 -0.000 0.000 0.271 47 L C 1.568 178.377 176.870 -0.101 0.000 1.178 47 L CA 0.350 55.039 54.840 -0.252 0.000 0.907 47 L CB -0.239 41.625 42.059 -0.325 0.000 1.164 47 L HN 0.472 nan 8.230 nan 0.000 0.482 48 G N 1.767 110.541 108.800 -0.043 0.000 2.176 48 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.232 48 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.232 48 G C 0.189 175.106 174.900 0.028 0.000 0.986 48 G CA 0.079 45.178 45.100 -0.002 0.000 0.643 48 G HN 0.836 nan 8.290 nan 0.000 0.522 49 T N -3.023 111.563 114.554 0.053 0.000 2.916 49 T HA 0.606 4.956 4.350 -0.000 0.000 0.292 49 T C 0.514 175.257 174.700 0.072 0.000 1.064 49 T CA 0.205 62.336 62.100 0.051 0.000 1.011 49 T CB 1.976 70.865 68.868 0.035 0.000 1.152 49 T HN -0.169 nan 8.240 nan 0.000 0.510 50 D N 0.601 121.027 120.400 0.043 0.000 2.354 50 D HA -0.019 4.621 4.640 -0.000 0.000 0.216 50 D C 2.050 178.361 176.300 0.019 0.000 0.970 50 D CA 1.124 55.141 54.000 0.029 0.000 0.905 50 D CB -0.307 40.501 40.800 0.014 0.000 0.903 50 D HN 0.740 nan 8.370 nan 0.000 0.508 51 A N 0.358 123.200 122.820 0.037 0.000 2.014 51 A HA -0.076 4.244 4.320 -0.000 0.000 0.218 51 A C 0.915 178.520 177.584 0.035 0.000 1.163 51 A CA 0.164 52.218 52.037 0.029 0.000 0.652 51 A CB -0.314 18.709 19.000 0.038 0.000 0.808 51 A HN 0.180 nan 8.150 nan 0.000 0.449 52 F N 0.308 120.219 119.950 -0.066 0.000 2.394 52 F HA 0.553 5.080 4.527 0.000 0.000 0.340 52 F C 0.123 175.857 175.800 -0.109 0.000 1.105 52 F CA 0.419 58.353 58.000 -0.110 0.000 1.124 52 F CB 1.324 40.246 39.000 -0.132 0.000 1.145 52 F HN -0.042 nan 8.300 nan 0.000 0.505 53 T N 5.946 119.584 114.554 -1.527 0.000 3.087 53 T HA 0.367 4.717 4.350 -0.000 0.000 0.351 53 T C -1.258 172.832 174.700 -1.017 0.000 1.520 53 T CA -0.565 60.880 62.100 -1.093 0.000 1.111 53 T CB 0.127 68.745 68.868 -0.417 0.000 1.353 53 T HN 0.387 nan 8.240 nan 0.000 0.481 54 F N 2.306 121.919 119.950 -0.562 0.000 2.382 54 F HA 0.516 5.043 4.527 -0.000 0.000 0.331 54 F C 1.542 177.245 175.800 -0.161 0.000 1.121 54 F CA -0.132 57.711 58.000 -0.262 0.000 1.183 54 F CB 1.147 40.092 39.000 -0.092 0.000 1.207 54 F HN 0.458 nan 8.300 nan 0.000 0.555 55 S N 2.379 118.158 115.700 0.133 0.000 2.572 55 S HA 0.171 4.641 4.470 -0.000 0.000 0.279 55 S C -2.152 172.483 174.600 0.058 0.000 1.341 55 S CA -1.050 57.185 58.200 0.058 0.000 1.043 55 S CB 0.105 63.341 63.200 0.061 0.000 0.887 55 S HN 0.292 nan 8.310 nan 0.000 0.516 56 P HA 0.284 nan 4.420 nan 0.000 0.267 56 P C -0.751 176.555 177.300 0.011 0.000 1.195 56 P CA -0.027 63.081 63.100 0.013 0.000 0.773 56 P CB 0.313 32.015 31.700 0.004 0.000 0.837 57 I N 0.589 121.159 120.570 0.000 0.000 2.908 57 I HA 0.527 4.697 4.170 -0.000 0.000 0.300 57 I C -1.378 174.731 176.117 -0.013 0.000 1.385 57 I CA -0.954 60.341 61.300 -0.008 0.000 1.004 57 I CB 2.268 40.254 38.000 -0.024 0.000 1.309 57 I HN 0.154 nan 8.210 nan 0.000 0.449 58 R N 3.327 123.819 120.500 -0.012 0.000 2.670 58 R HA 0.606 4.946 4.340 -0.000 0.000 0.289 58 R C 0.345 176.635 176.300 -0.016 0.000 0.965 58 R CA -0.217 55.875 56.100 -0.013 0.000 0.899 58 R CB 1.501 31.796 30.300 -0.008 0.000 1.173 58 R HN 0.634 nan 8.270 nan 0.000 0.456 59 E N 0.834 121.023 120.200 -0.019 0.000 2.049 59 E HA -0.216 4.134 4.350 -0.000 0.000 0.198 59 E C 1.358 177.948 176.600 -0.016 0.000 1.007 59 E CA 2.595 58.982 56.400 -0.021 0.000 0.809 59 E CB -0.141 29.546 29.700 -0.022 0.000 0.749 59 E HN 0.784 nan 8.360 nan 0.000 0.450 60 S N -0.332 115.361 115.700 -0.013 0.000 2.420 60 S HA -0.215 4.255 4.470 -0.000 0.000 0.237 60 S C 1.999 176.597 174.600 -0.004 0.000 1.023 60 S CA 1.638 59.833 58.200 -0.009 0.000 0.991 60 S CB -0.813 62.382 63.200 -0.008 0.000 0.792 60 S HN 0.192 nan 8.310 nan 0.000 0.488 61 T N 2.224 116.775 114.554 -0.004 0.000 2.777 61 T HA -0.006 4.344 4.350 -0.000 0.000 0.266 61 T C 1.904 176.606 174.700 0.004 0.000 1.040 61 T CA 1.434 63.535 62.100 0.001 0.000 1.141 61 T CB -0.520 68.348 68.868 0.000 0.000 0.868 61 T HN 0.357 nan 8.240 nan 0.000 0.444 62 V N 1.223 121.135 119.914 -0.004 0.000 2.427 62 V HA -0.135 3.985 4.120 -0.000 0.000 0.248 62 V C 2.685 178.781 176.094 0.004 0.000 1.051 62 V CA 1.786 64.083 62.300 -0.005 0.000 1.048 62 V CB -0.868 30.942 31.823 -0.022 0.000 0.666 62 V HN 0.485 nan 8.190 nan 0.000 0.456 63 S N 0.038 115.738 115.700 0.001 0.000 2.348 63 S HA -0.228 4.242 4.470 -0.000 0.000 0.221 63 S C 2.224 176.841 174.600 0.028 0.000 1.033 63 S CA 1.731 59.935 58.200 0.008 0.000 1.010 63 S CB -0.252 62.947 63.200 -0.002 0.000 0.891 63 S HN 0.537 nan 8.310 nan 0.000 0.442 64 R N 0.616 121.130 120.500 0.023 0.000 2.105 64 R HA -0.030 4.310 4.340 -0.000 0.000 0.239 64 R C 2.583 178.917 176.300 0.056 0.000 1.135 64 R CA 1.305 57.426 56.100 0.034 0.000 0.967 64 R CB -0.569 29.743 30.300 0.020 0.000 0.861 64 R HN 0.527 nan 8.270 nan 0.000 0.442 65 A N 0.643 123.491 122.820 0.047 0.000 1.933 65 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 65 A C 2.094 179.728 177.584 0.082 0.000 1.175 65 A CA 1.321 53.392 52.037 0.056 0.000 0.628 65 A CB -0.302 18.721 19.000 0.038 0.000 0.814 65 A HN 0.192 nan 8.150 nan 0.000 0.444 66 M N -0.512 119.137 119.600 0.083 0.000 2.160 66 M HA -0.086 4.394 4.480 -0.000 0.000 0.264 66 M C 2.522 178.944 176.300 0.204 0.000 1.073 66 M CA 1.861 57.227 55.300 0.110 0.000 1.142 66 M CB -0.745 31.891 32.600 0.060 0.000 1.358 66 M HN 0.651 nan 8.290 nan 0.000 0.422 67 T N -0.875 113.810 114.554 0.218 0.000 2.708 67 T HA -0.178 4.172 4.350 -0.000 0.000 0.266 67 T C 1.896 176.872 174.700 0.459 0.000 1.037 67 T CA 1.344 63.681 62.100 0.395 0.000 1.146 67 T CB -0.525 68.475 68.868 0.219 0.000 0.865 67 T HN 0.326 nan 8.240 nan 0.000 0.435 68 R N 0.995 121.645 120.500 0.251 0.000 2.103 68 R HA -0.085 4.255 4.340 -0.000 0.000 0.242 68 R C 2.849 179.288 176.300 0.232 0.000 1.142 68 R CA 1.557 57.782 56.100 0.209 0.000 0.960 68 R CB -0.156 30.216 30.300 0.120 0.000 0.858 68 R HN 0.453 nan 8.270 nan 0.000 0.439 69 R N -1.408 119.219 120.500 0.211 0.000 2.090 69 R HA -0.138 4.202 4.340 -0.000 0.000 0.228 69 R C 2.149 178.569 176.300 0.199 0.000 1.110 69 R CA 1.365 57.568 56.100 0.172 0.000 0.973 69 R CB -0.373 30.009 30.300 0.136 0.000 0.869 69 R HN 0.297 nan 8.270 nan 0.000 0.440 70 Y N 0.177 120.569 120.300 0.153 0.000 2.242 70 Y HA -0.125 4.425 4.550 -0.000 0.000 0.291 70 Y C 1.520 177.419 175.900 -0.002 0.000 1.137 70 Y CA 1.335 59.489 58.100 0.092 0.000 1.181 70 Y CB -0.085 38.432 38.460 0.094 0.000 0.989 70 Y HN -0.107 nan 8.280 nan 0.000 0.527 71 F N -0.943 119.128 119.950 0.201 0.000 2.661 71 F HA 0.042 4.569 4.527 -0.000 0.000 0.298 71 F C 2.260 178.100 175.800 0.067 0.000 1.137 71 F CA 0.659 58.732 58.000 0.121 0.000 1.454 71 F CB -0.349 38.738 39.000 0.146 0.000 1.103 71 F HN 0.117 nan 8.300 nan 0.000 0.577 72 A N -0.379 122.535 122.820 0.157 0.000 1.935 72 A HA -0.082 4.238 4.320 -0.000 0.000 0.214 72 A C 2.009 179.640 177.584 0.078 0.000 1.178 72 A CA 1.294 53.398 52.037 0.112 0.000 0.640 72 A CB -0.431 18.631 19.000 0.102 0.000 0.825 72 A HN 0.166 nan 8.150 nan 0.000 0.447 73 D N -0.023 120.394 120.400 0.028 0.000 2.097 73 D HA -0.117 4.523 4.640 -0.000 0.000 0.197 73 D C 1.759 178.177 176.300 0.196 0.000 0.984 73 D CA 1.008 55.053 54.000 0.076 0.000 0.826 73 D CB -0.248 40.442 40.800 -0.182 0.000 0.973 73 D HN 0.247 nan 8.370 nan 0.000 0.460 74 L N 1.205 122.400 121.223 -0.048 0.000 2.083 74 L HA -0.156 4.184 4.340 -0.000 0.000 0.209 74 L C 1.898 178.755 176.870 -0.022 0.000 1.083 74 L CA 1.527 56.279 54.840 -0.147 0.000 0.752 74 L CB -0.603 41.211 42.059 -0.408 0.000 0.899 74 L HN -0.061 nan 8.230 nan 0.000 0.433 75 D N -1.037 119.382 120.400 0.032 0.000 2.091 75 D HA -0.108 4.532 4.640 -0.000 0.000 0.199 75 D C 2.154 178.479 176.300 0.043 0.000 0.980 75 D CA 1.298 55.328 54.000 0.049 0.000 0.831 75 D CB 0.108 40.953 40.800 0.075 0.000 0.987 75 D HN 0.224 nan 8.370 nan 0.000 0.460 76 A N -0.500 122.354 122.820 0.057 0.000 1.930 76 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 76 A C 2.014 179.548 177.584 -0.082 0.000 1.175 76 A CA 1.244 53.272 52.037 -0.015 0.000 0.627 76 A CB -0.781 18.199 19.000 -0.034 0.000 0.815 76 A HN 0.439 nan 8.150 nan 0.000 0.443 77 H N -0.975 118.125 119.070 0.049 0.000 2.548 77 H HA 0.226 4.782 4.556 -0.000 0.000 0.265 77 H C 2.361 177.701 175.328 0.021 0.000 0.969 77 H CA 0.638 56.732 56.048 0.077 0.000 1.155 77 H CB 0.001 29.907 29.762 0.239 0.000 1.394 77 H HN 0.555 nan 8.280 nan 0.000 0.570 78 A N 1.204 124.062 122.820 0.062 0.000 1.958 78 A HA -0.201 4.119 4.320 -0.000 0.000 0.221 78 A C 1.138 178.726 177.584 0.006 0.000 1.178 78 A CA 1.496 53.532 52.037 -0.002 0.000 0.642 78 A CB -0.089 18.902 19.000 -0.015 0.000 0.816 78 A HN 0.251 nan 8.150 nan 0.000 0.453 79 E N -0.779 119.425 120.200 0.006 0.000 2.207 79 E HA 0.506 4.856 4.350 -0.000 0.000 0.250 79 E C -0.405 176.193 176.600 -0.003 0.000 0.890 79 E CA -0.104 56.298 56.400 0.003 0.000 0.749 79 E CB 0.927 30.623 29.700 -0.006 0.000 1.193 79 E HN 0.211 nan 8.360 nan 0.000 0.423 80 T N 1.904 116.475 114.554 0.029 0.000 2.910 80 T HA 0.319 4.669 4.350 -0.000 0.000 0.287 80 T C 0.180 174.929 174.700 0.082 0.000 1.050 80 T CA -0.507 61.612 62.100 0.031 0.000 1.011 80 T CB 0.999 69.932 68.868 0.109 0.000 1.195 80 T HN 0.331 nan 8.240 nan 0.000 0.540 81 D N 0.402 120.864 120.400 0.103 0.000 2.214 81 D HA 0.251 4.891 4.640 -0.000 0.000 0.217 81 D C 0.360 176.815 176.300 0.258 0.000 0.973 81 D CA 1.001 55.137 54.000 0.227 0.000 0.880 81 D CB 0.362 41.242 40.800 0.133 0.000 1.031 81 D HN 0.445 nan 8.370 nan 0.000 0.468 82 I N 0.930 121.583 120.570 0.139 0.000 2.545 82 I HA 0.233 4.403 4.170 -0.000 0.000 0.292 82 I C -0.851 175.330 176.117 0.106 0.000 1.040 82 I CA -0.774 60.600 61.300 0.124 0.000 1.068 82 I CB 3.120 41.156 38.000 0.060 0.000 1.251 82 I HN -0.348 nan 8.210 nan 0.000 0.424 83 V N 6.735 126.709 119.914 0.101 0.000 2.495 83 V HA 0.503 4.623 4.120 -0.000 0.000 0.298 83 V C -0.220 175.920 176.094 0.077 0.000 1.031 83 V CA -0.505 61.850 62.300 0.092 0.000 0.871 83 V CB 2.138 34.010 31.823 0.082 0.000 0.988 83 V HN 0.454 nan 8.190 nan 0.000 0.432 84 I N 4.641 125.254 120.570 0.072 0.000 2.382 84 I HA 0.408 4.578 4.170 -0.000 0.000 0.286 84 I C -0.590 175.562 176.117 0.058 0.000 1.002 84 I CA -0.753 60.586 61.300 0.064 0.000 1.135 84 I CB 1.955 39.992 38.000 0.061 0.000 1.288 84 I HN 0.268 nan 8.210 nan 0.000 0.448 85 V N 5.469 125.416 119.914 0.054 0.000 2.364 85 V HA 0.712 4.832 4.120 -0.000 0.000 0.272 85 V C 0.549 176.671 176.094 0.047 0.000 1.036 85 V CA -0.369 61.954 62.300 0.039 0.000 0.880 85 V CB 0.767 32.608 31.823 0.030 0.000 0.991 85 V HN 1.055 nan 8.190 nan 0.000 0.460 86 G N 4.266 113.093 108.800 0.044 0.000 3.238 86 G HA2 0.196 4.156 3.960 -0.000 0.000 0.684 86 G HA3 0.196 4.156 3.960 -0.000 0.000 0.684 86 G C -0.025 174.911 174.900 0.059 0.000 1.156 86 G CA -0.331 44.800 45.100 0.052 0.000 1.048 86 G HN 1.469 nan 8.290 nan 0.000 0.462 87 A N 1.810 124.668 122.820 0.064 0.000 2.840 87 A HA 0.702 5.022 4.320 -0.000 0.000 0.269 87 A C 1.547 179.165 177.584 0.056 0.000 1.439 87 A CA 1.206 53.281 52.037 0.063 0.000 1.083 87 A CB -0.356 18.686 19.000 0.069 0.000 1.019 87 A HN 2.001 nan 8.150 nan 0.000 0.607 88 G N -0.374 108.461 108.800 0.059 0.000 2.508 88 G HA2 0.323 4.283 3.960 -0.000 0.000 0.278 88 G HA3 0.323 4.283 3.960 -0.000 0.000 0.278 88 G C 1.345 176.288 174.900 0.071 0.000 1.389 88 G CA 0.425 45.559 45.100 0.057 0.000 1.050 88 G HN 0.720 nan 8.290 nan 0.000 0.522 89 S N -1.711 114.059 115.700 0.116 0.000 2.382 89 S HA -0.216 4.254 4.470 -0.000 0.000 0.228 89 S C 2.359 177.075 174.600 0.193 0.000 1.027 89 S CA 1.556 59.886 58.200 0.217 0.000 0.991 89 S CB -1.005 62.371 63.200 0.293 0.000 0.823 89 S HN 0.609 nan 8.310 nan 0.000 0.469 90 C N 2.185 121.560 119.300 0.126 0.000 2.473 90 C HA 0.182 4.642 4.460 -0.000 0.000 0.279 90 C C 3.083 178.117 174.990 0.074 0.000 1.250 90 C CA 0.870 59.935 59.018 0.079 0.000 1.713 90 C CB -1.738 26.034 27.740 0.053 0.000 2.066 90 C HN 0.669 nan 8.230 nan 0.000 0.474 91 G N 0.463 109.307 108.800 0.074 0.000 2.446 91 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.217 91 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.217 91 G C 1.637 176.588 174.900 0.085 0.000 1.168 91 G CA 1.111 46.254 45.100 0.071 0.000 0.771 91 G HN 0.605 nan 8.290 nan 0.000 0.551 92 L N 0.778 122.053 121.223 0.087 0.000 2.079 92 L HA -0.137 4.203 4.340 -0.000 0.000 0.210 92 L C 3.227 180.191 176.870 0.157 0.000 1.081 92 L CA 1.394 56.286 54.840 0.087 0.000 0.752 92 L CB -0.344 41.733 42.059 0.030 0.000 0.896 92 L HN 0.214 nan 8.230 nan 0.000 0.433 93 S N -0.170 115.642 115.700 0.187 0.000 2.355 93 S HA -0.132 4.338 4.470 -0.000 0.000 0.222 93 S C 2.212 176.951 174.600 0.232 0.000 1.031 93 S CA 1.087 59.454 58.200 0.279 0.000 0.993 93 S CB -0.330 62.896 63.200 0.043 0.000 0.859 93 S HN 0.499 nan 8.310 nan 0.000 0.453 94 A N 1.746 124.639 122.820 0.120 0.000 1.940 94 A HA 0.041 4.361 4.320 -0.000 0.000 0.219 94 A C 2.336 179.990 177.584 0.115 0.000 1.176 94 A CA 1.801 53.897 52.037 0.098 0.000 0.631 94 A CB -1.093 17.947 19.000 0.067 0.000 0.814 94 A HN 0.515 nan 8.150 nan 0.000 0.446 95 A N -1.274 121.619 122.820 0.123 0.000 1.858 95 A HA -0.083 4.237 4.320 -0.000 0.000 0.216 95 A C 2.129 179.779 177.584 0.109 0.000 1.190 95 A CA 1.665 53.759 52.037 0.096 0.000 0.617 95 A CB -0.987 18.065 19.000 0.086 0.000 0.827 95 A HN 0.736 nan 8.150 nan 0.000 0.443 96 Y N 0.895 121.238 120.300 0.071 0.000 2.030 96 Y HA -0.278 4.272 4.550 -0.000 0.000 0.274 96 Y C 2.405 178.358 175.900 0.089 0.000 1.153 96 Y CA 2.405 60.550 58.100 0.074 0.000 1.115 96 Y CB -0.690 37.839 38.460 0.115 0.000 0.969 96 Y HN 0.061 nan 8.280 nan 0.000 0.488 97 V N 0.184 120.214 119.914 0.194 0.000 2.287 97 V HA -0.321 3.799 4.120 -0.000 0.000 0.248 97 V C 2.397 178.475 176.094 -0.026 0.000 1.053 97 V CA 1.962 64.320 62.300 0.096 0.000 1.027 97 V CB -1.095 30.869 31.823 0.236 0.000 0.646 97 V HN 0.509 nan 8.190 nan 0.000 0.447 98 L N 1.074 122.300 121.223 0.004 0.000 2.046 98 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 98 L C 2.688 179.508 176.870 -0.083 0.000 1.077 98 L CA 2.546 57.368 54.840 -0.030 0.000 0.747 98 L CB -0.803 41.251 42.059 -0.009 0.000 0.896 98 L HN 0.541 nan 8.230 nan 0.000 0.432 99 S N -3.185 112.457 115.700 -0.098 0.000 2.428 99 S HA -0.122 4.348 4.470 -0.000 0.000 0.230 99 S C 1.775 176.281 174.600 -0.157 0.000 1.014 99 S CA 1.261 59.392 58.200 -0.114 0.000 0.957 99 S CB -0.805 62.339 63.200 -0.092 0.000 0.784 99 S HN 0.482 nan 8.310 nan 0.000 0.499 100 T N 2.092 116.505 114.554 -0.235 0.000 2.985 100 T HA 0.289 4.639 4.350 -0.000 0.000 0.266 100 T C 1.505 176.118 174.700 -0.145 0.000 1.076 100 T CA 0.779 62.730 62.100 -0.249 0.000 1.135 100 T CB -0.242 68.358 68.868 -0.447 0.000 0.890 100 T HN 0.311 nan 8.240 nan 0.000 0.480 101 L N -0.090 121.066 121.223 -0.112 0.000 2.416 101 L HA 0.211 4.551 4.340 -0.000 0.000 0.216 101 L C 0.881 177.703 176.870 -0.079 0.000 1.098 101 L CA 0.510 55.308 54.840 -0.069 0.000 0.840 101 L CB 0.283 42.321 42.059 -0.035 0.000 0.981 101 L HN -0.100 nan 8.230 nan 0.000 0.462 102 R N -0.478 119.961 120.500 -0.102 0.000 2.629 102 R HA 0.243 4.583 4.340 -0.000 0.000 0.277 102 R C -2.072 174.159 176.300 -0.115 0.000 1.637 102 R CA -1.678 54.350 56.100 -0.120 0.000 1.663 102 R CB 0.360 30.558 30.300 -0.170 0.000 1.228 102 R HN -0.087 nan 8.270 nan 0.000 0.632 103 P HA -0.179 nan 4.420 nan 0.000 0.221 103 P C 0.909 178.164 177.300 -0.075 0.000 1.145 103 P CA 1.242 64.295 63.100 -0.077 0.000 0.795 103 P CB 0.316 31.979 31.700 -0.062 0.000 0.775 104 D N -0.802 119.548 120.400 -0.085 0.000 2.194 104 D HA -0.082 4.558 4.640 -0.000 0.000 0.204 104 D C 0.705 176.943 176.300 -0.103 0.000 0.964 104 D CA 0.478 54.430 54.000 -0.081 0.000 0.846 104 D CB -0.605 40.151 40.800 -0.074 0.000 0.962 104 D HN 0.187 nan 8.370 nan 0.000 0.490 105 L N 1.200 122.330 121.223 -0.156 0.000 2.380 105 L HA 0.237 4.577 4.340 -0.000 0.000 0.273 105 L C 0.905 177.708 176.870 -0.112 0.000 1.138 105 L CA -0.625 54.100 54.840 -0.192 0.000 0.832 105 L CB 0.979 42.829 42.059 -0.348 0.000 1.124 105 L HN -0.105 nan 8.230 nan 0.000 0.454 106 R N 4.294 124.746 120.500 -0.079 0.000 2.267 106 R HA 0.434 4.774 4.340 -0.000 0.000 0.319 106 R C -0.873 175.435 176.300 0.013 0.000 1.067 106 R CA -0.326 55.745 56.100 -0.049 0.000 0.936 106 R CB 0.394 30.619 30.300 -0.126 0.000 1.006 106 R HN 0.572 nan 8.270 nan 0.000 0.452 107 I N 4.300 124.904 120.570 0.058 0.000 2.339 107 I HA 0.205 4.375 4.170 -0.000 0.000 0.290 107 I C -0.307 175.897 176.117 0.144 0.000 0.994 107 I CA -0.638 60.708 61.300 0.076 0.000 1.191 107 I CB 2.117 40.131 38.000 0.024 0.000 1.343 107 I HN 0.595 nan 8.210 nan 0.000 0.458 108 T N 7.163 121.811 114.554 0.158 0.000 2.821 108 T HA 0.517 4.867 4.350 -0.000 0.000 0.307 108 T C 0.009 174.766 174.700 0.095 0.000 1.034 108 T CA -0.329 61.858 62.100 0.147 0.000 0.953 108 T CB 0.552 69.597 68.868 0.296 0.000 0.968 108 T HN 0.277 nan 8.240 nan 0.000 0.462 109 I N 3.372 123.963 120.570 0.036 0.000 2.325 109 I HA 0.329 4.499 4.170 -0.000 0.000 0.291 109 I C -0.234 175.944 176.117 0.102 0.000 1.019 109 I CA -0.816 60.516 61.300 0.053 0.000 1.302 109 I CB 1.111 39.125 38.000 0.023 0.000 1.401 109 I HN 0.251 nan 8.210 nan 0.000 0.485 110 V N 5.693 125.667 119.914 0.101 0.000 2.334 110 V HA 0.310 4.430 4.120 -0.000 0.000 0.281 110 V C -0.170 175.966 176.094 0.070 0.000 1.016 110 V CA -0.525 61.839 62.300 0.106 0.000 0.832 110 V CB 1.350 33.197 31.823 0.041 0.000 0.999 110 V HN 0.690 nan 8.190 nan 0.000 0.439 111 E N 4.215 124.472 120.200 0.095 0.000 2.176 111 E HA 0.707 5.057 4.350 -0.000 0.000 0.267 111 E C 0.651 177.301 176.600 0.084 0.000 0.893 111 E CA -0.014 56.435 56.400 0.082 0.000 0.761 111 E CB 1.970 31.727 29.700 0.096 0.000 1.133 111 E HN 0.553 nan 8.360 nan 0.000 0.409 112 A N 3.882 126.737 122.820 0.058 0.000 1.902 112 A HA 0.139 4.459 4.320 -0.000 0.000 0.217 112 A C 1.302 178.933 177.584 0.077 0.000 1.181 112 A CA 1.299 53.369 52.037 0.056 0.000 0.623 112 A CB -0.995 18.023 19.000 0.029 0.000 0.818 112 A HN 0.622 nan 8.150 nan 0.000 0.443 113 G N -1.767 107.083 108.800 0.084 0.000 2.572 113 G HA2 0.377 4.337 3.960 -0.000 0.000 0.261 113 G HA3 0.377 4.337 3.960 -0.000 0.000 0.261 113 G C 0.845 175.799 174.900 0.089 0.000 1.197 113 G CA 0.110 45.261 45.100 0.085 0.000 0.870 113 G HN 0.119 nan 8.290 nan 0.000 0.548 114 V N 1.314 121.267 119.914 0.066 0.000 2.307 114 V HA 0.028 4.148 4.120 -0.000 0.000 0.245 114 V C 1.987 178.119 176.094 0.063 0.000 1.045 114 V CA 2.007 64.338 62.300 0.051 0.000 1.024 114 V CB -0.767 31.064 31.823 0.014 0.000 0.651 114 V HN 0.829 nan 8.190 nan 0.000 0.449 115 A N 1.864 124.724 122.820 0.067 0.000 2.289 115 A HA 0.633 4.953 4.320 -0.000 0.000 0.298 115 A C -2.105 175.612 177.584 0.221 0.000 1.208 115 A CA -1.233 50.866 52.037 0.104 0.000 0.845 115 A CB 0.245 19.245 19.000 0.000 0.000 1.125 115 A HN 0.303 nan 8.150 nan 0.000 0.517 116 P HA 0.570 nan 4.420 nan 0.000 0.284 116 P C 0.659 178.191 177.300 0.386 0.000 1.292 116 P CA 0.690 63.942 63.100 0.254 0.000 0.800 116 P CB 1.301 33.103 31.700 0.170 0.000 1.188 117 G N -2.272 106.622 108.800 0.157 0.000 2.231 117 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.206 117 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.206 117 G C 0.705 175.562 174.900 -0.071 0.000 0.996 117 G CA 0.310 45.336 45.100 -0.123 0.000 0.645 117 G HN 0.908 nan 8.290 nan 0.000 0.498 118 G N 0.035 108.913 108.800 0.129 0.000 2.652 118 G HA2 0.136 4.096 3.960 -0.000 0.000 0.318 118 G HA3 0.136 4.096 3.960 -0.000 0.000 0.318 118 G C 1.352 176.347 174.900 0.159 0.000 1.295 118 G CA 1.753 46.929 45.100 0.127 0.000 0.999 118 G HN 1.950 nan 8.290 nan 0.000 0.548 119 G N -0.115 108.765 108.800 0.133 0.000 3.562 119 G HA2 0.607 4.567 3.960 -0.000 0.000 0.279 119 G HA3 0.607 4.567 3.960 -0.000 0.000 0.279 119 G C 0.643 175.693 174.900 0.250 0.000 1.314 119 G CA 1.160 46.371 45.100 0.185 0.000 1.189 119 G HN 1.725 nan 8.290 nan 0.000 0.562 120 A N -0.640 122.219 122.820 0.065 0.000 2.574 120 A HA 0.434 4.754 4.320 -0.000 0.000 0.283 120 A C 0.866 178.312 177.584 -0.230 0.000 1.270 120 A CA -0.614 51.368 52.037 -0.091 0.000 0.945 120 A CB -0.207 18.687 19.000 -0.176 0.000 1.127 120 A HN 0.504 nan 8.150 nan 0.000 0.522 121 W N -0.588 120.786 121.300 0.124 0.000 3.211 121 W HA 0.522 5.182 4.660 -0.000 0.000 0.292 121 W C 0.145 176.778 176.519 0.190 0.000 1.268 121 W CA -0.069 57.359 57.345 0.138 0.000 1.702 121 W CB 0.407 29.933 29.460 0.111 0.000 1.092 121 W HN 0.096 nan 8.180 nan 0.000 0.643 122 L N -1.455 119.957 121.223 0.315 0.000 2.409 122 L HA 0.650 4.990 4.340 -0.000 0.000 0.255 122 L C 0.945 177.947 176.870 0.221 0.000 1.027 122 L CA -0.742 54.234 54.840 0.227 0.000 0.834 122 L CB 1.395 43.577 42.059 0.204 0.000 1.426 122 L HN -0.137 nan 8.230 nan 0.000 0.411 123 G N -0.176 108.724 108.800 0.167 0.000 3.311 123 G HA2 0.509 4.469 3.960 -0.000 0.000 0.169 123 G HA3 0.509 4.469 3.960 -0.000 0.000 0.169 123 G C -0.054 174.946 174.900 0.168 0.000 1.852 123 G CA 0.275 45.514 45.100 0.231 0.000 1.010 123 G HN 0.731 nan 8.290 nan 0.000 0.530 124 G N -2.141 106.734 108.800 0.125 0.000 2.453 124 G HA2 0.454 4.414 3.960 -0.000 0.000 0.323 124 G HA3 0.454 4.414 3.960 -0.000 0.000 0.323 124 G C 0.014 174.815 174.900 -0.165 0.000 1.198 124 G CA 0.063 45.178 45.100 0.025 0.000 0.959 124 G HN 0.758 nan 8.290 nan 0.000 0.482 125 Q N 0.052 119.700 119.800 -0.253 0.000 2.434 125 Q HA -0.191 4.149 4.340 -0.000 0.000 0.299 125 Q C 0.700 176.183 176.000 -0.862 0.000 1.286 125 Q CA 0.825 56.320 55.803 -0.513 0.000 0.872 125 Q CB -1.199 27.205 28.738 -0.556 0.000 1.193 125 Q HN 0.831 nan 8.270 nan 0.000 0.466 126 L N -3.226 117.739 121.223 -0.429 0.000 4.937 126 L HA -0.289 4.051 4.340 -0.000 0.000 0.422 126 L C 0.016 176.790 176.870 -0.160 0.000 1.059 126 L CA 0.779 55.461 54.840 -0.264 0.000 1.111 126 L CB -1.729 40.197 42.059 -0.222 0.000 2.033 126 L HN 0.264 nan 8.230 nan 0.000 0.708 127 F N -0.397 119.568 119.950 0.025 0.000 2.368 127 F HA 0.283 4.810 4.527 -0.000 0.000 0.308 127 F C 1.840 177.607 175.800 -0.056 0.000 1.198 127 F CA 0.264 58.261 58.000 -0.006 0.000 1.130 127 F CB 0.418 39.417 39.000 -0.002 0.000 1.300 127 F HN -0.225 nan 8.300 nan 0.000 0.537 128 S N -0.421 115.321 115.700 0.069 0.000 2.460 128 S HA 0.243 4.713 4.470 -0.000 0.000 0.226 128 S C 0.762 175.251 174.600 -0.185 0.000 1.057 128 S CA 0.223 58.254 58.200 -0.282 0.000 0.948 128 S CB -0.266 62.548 63.200 -0.644 0.000 0.822 128 S HN 0.659 nan 8.310 nan 0.000 0.512 129 A N 2.789 125.581 122.820 -0.047 0.000 2.563 129 A HA 0.150 4.470 4.320 -0.000 0.000 0.256 129 A C 0.080 177.696 177.584 0.053 0.000 1.056 129 A CA 0.459 52.504 52.037 0.014 0.000 0.775 129 A CB -0.599 18.427 19.000 0.045 0.000 0.973 129 A HN 0.550 nan 8.150 nan 0.000 0.516 130 M N 5.167 124.781 119.600 0.022 0.000 2.069 130 M HA 0.412 4.892 4.480 -0.000 0.000 0.349 130 M C -1.201 175.139 176.300 0.067 0.000 1.194 130 M CA -0.334 54.965 55.300 -0.002 0.000 1.081 130 M CB 0.374 32.819 32.600 -0.259 0.000 1.500 130 M HN 0.376 nan 8.290 nan 0.000 0.438 131 V N 7.096 127.104 119.914 0.157 0.000 2.465 131 V HA 0.425 4.545 4.120 -0.000 0.000 0.279 131 V C 0.006 176.170 176.094 0.117 0.000 1.045 131 V CA -0.161 62.217 62.300 0.129 0.000 0.938 131 V CB 1.455 33.308 31.823 0.050 0.000 0.986 131 V HN 0.919 nan 8.190 nan 0.000 0.467 132 M N 4.964 124.612 119.600 0.080 0.000 2.263 132 M HA 0.500 4.980 4.480 -0.000 0.000 0.295 132 M C -0.449 175.877 176.300 0.045 0.000 1.028 132 M CA -0.537 54.779 55.300 0.028 0.000 0.921 132 M CB 2.427 34.996 32.600 -0.050 0.000 1.601 132 M HN 0.575 nan 8.290 nan 0.000 0.440 133 R N 2.274 122.793 120.500 0.031 0.000 2.441 133 R HA 0.346 4.686 4.340 -0.000 0.000 0.284 133 R C -0.298 176.011 176.300 0.015 0.000 1.070 133 R CA -0.423 55.709 56.100 0.053 0.000 1.047 133 R CB 0.962 31.274 30.300 0.020 0.000 1.016 133 R HN 0.511 nan 8.270 nan 0.000 0.477 134 K N 2.909 123.320 120.400 0.019 0.000 2.380 134 K HA 0.041 4.361 4.320 -0.000 0.000 0.267 134 K C -1.504 175.096 176.600 0.000 0.000 0.990 134 K CA -0.969 55.314 56.287 -0.007 0.000 0.946 134 K CB 0.387 32.884 32.500 -0.005 0.000 0.937 134 K HN 0.443 nan 8.250 nan 0.000 0.491 135 P HA 0.080 nan 4.420 nan 0.000 0.249 135 P C 0.234 177.539 177.300 0.008 0.000 1.544 135 P CA 0.134 63.236 63.100 0.003 0.000 0.932 135 P CB 0.195 31.903 31.700 0.013 0.000 1.524 136 A N 1.948 124.764 122.820 -0.006 0.000 2.024 136 A HA -0.210 4.110 4.320 -0.000 0.000 0.220 136 A C 1.981 179.577 177.584 0.021 0.000 1.164 136 A CA 1.827 53.873 52.037 0.014 0.000 0.643 136 A CB -0.943 18.048 19.000 -0.015 0.000 0.806 136 A HN 0.365 nan 8.150 nan 0.000 0.451 137 D N 0.210 120.556 120.400 -0.091 0.000 2.221 137 D HA -0.133 4.507 4.640 -0.000 0.000 0.204 137 D C 1.719 178.030 176.300 0.019 0.000 0.982 137 D CA 1.486 55.364 54.000 -0.204 0.000 0.857 137 D CB -0.814 39.777 40.800 -0.349 0.000 0.934 137 D HN 0.287 nan 8.370 nan 0.000 0.475 138 V N 0.362 120.319 119.914 0.072 0.000 2.343 138 V HA -0.224 3.896 4.120 -0.000 0.000 0.247 138 V C 2.265 178.460 176.094 0.168 0.000 1.051 138 V CA 1.468 63.837 62.300 0.116 0.000 1.036 138 V CB -0.817 31.070 31.823 0.106 0.000 0.654 138 V HN 0.078 nan 8.190 nan 0.000 0.451 139 F N 0.178 120.153 119.950 0.042 0.000 2.163 139 F HA -0.061 4.466 4.527 0.000 0.000 0.297 139 F C 2.032 177.876 175.800 0.073 0.000 1.094 139 F CA 1.353 59.390 58.000 0.061 0.000 1.290 139 F CB -0.244 38.797 39.000 0.069 0.000 1.017 139 F HN 0.010 nan 8.300 nan 0.000 0.483 140 L N -0.148 121.144 121.223 0.116 0.000 2.079 140 L HA -0.249 4.091 4.340 -0.000 0.000 0.210 140 L C 2.164 179.070 176.870 0.060 0.000 1.081 140 L CA 1.431 56.327 54.840 0.094 0.000 0.752 140 L CB -0.826 41.338 42.059 0.175 0.000 0.896 140 L HN 0.093 nan 8.230 nan 0.000 0.433 141 D N -0.276 120.194 120.400 0.117 0.000 2.097 141 D HA -0.214 4.426 4.640 -0.000 0.000 0.195 141 D C 1.998 178.275 176.300 -0.038 0.000 0.989 141 D CA 1.272 55.321 54.000 0.081 0.000 0.827 141 D CB -0.008 40.857 40.800 0.108 0.000 0.966 141 D HN 0.276 nan 8.370 nan 0.000 0.456 142 E N 1.015 121.157 120.200 -0.096 0.000 2.033 142 E HA -0.175 4.175 4.350 -0.000 0.000 0.199 142 E C 1.980 178.422 176.600 -0.262 0.000 1.011 142 E CA 1.795 58.112 56.400 -0.139 0.000 0.815 142 E CB -0.326 29.286 29.700 -0.147 0.000 0.755 142 E HN 0.219 nan 8.360 nan 0.000 0.451 143 V N -2.178 117.402 119.914 -0.556 0.000 3.510 143 V HA 0.284 4.404 4.120 -0.000 0.000 0.270 143 V C 1.294 177.193 176.094 -0.325 0.000 1.201 143 V CA 0.682 62.596 62.300 -0.643 0.000 1.166 143 V CB -0.995 30.262 31.823 -0.945 0.000 0.825 143 V HN 0.448 nan 8.190 nan 0.000 0.484 144 G N 0.100 108.785 108.800 -0.191 0.000 2.324 144 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.292 144 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.292 144 G C -0.231 174.622 174.900 -0.079 0.000 1.079 144 G CA 0.181 45.218 45.100 -0.106 0.000 1.026 144 G HN 0.975 nan 8.290 nan 0.000 0.506 145 V N 2.634 122.534 119.914 -0.023 0.000 2.350 145 V HA 0.463 4.583 4.120 -0.000 0.000 0.285 145 V C -0.911 175.247 176.094 0.106 0.000 1.014 145 V CA -1.357 60.973 62.300 0.050 0.000 0.831 145 V CB 1.817 33.721 31.823 0.135 0.000 1.000 145 V HN 0.400 nan 8.190 nan 0.000 0.433 146 P HA 0.224 nan 4.420 nan 0.000 0.271 146 P C -1.379 175.932 177.300 0.018 0.000 1.238 146 P CA 0.324 63.353 63.100 -0.119 0.000 0.794 146 P CB 0.675 32.322 31.700 -0.089 0.000 0.959 147 Y N -4.111 116.195 120.300 0.010 0.000 2.774 147 Y HA 0.476 5.026 4.550 0.000 0.000 0.346 147 Y C -1.322 174.576 175.900 -0.005 0.000 1.222 147 Y CA -1.241 56.866 58.100 0.011 0.000 1.088 147 Y CB 0.296 38.766 38.460 0.016 0.000 1.354 147 Y HN 0.291 nan 8.280 nan 0.000 0.455 148 E N 1.361 121.721 120.200 0.267 0.000 2.175 148 E HA 0.244 4.594 4.350 -0.000 0.000 0.278 148 E C -1.498 175.202 176.600 0.166 0.000 0.969 148 E CA -1.009 55.477 56.400 0.143 0.000 0.796 148 E CB 1.657 31.395 29.700 0.063 0.000 1.104 148 E HN 0.503 nan 8.360 nan 0.000 0.395 149 D N 2.367 122.834 120.400 0.112 0.000 2.225 149 D HA 0.061 4.701 4.640 -0.000 0.000 0.248 149 D C -0.121 176.090 176.300 -0.148 0.000 1.096 149 D CA -0.059 53.951 54.000 0.017 0.000 0.863 149 D CB 0.959 41.804 40.800 0.074 0.000 1.156 149 D HN 0.342 nan 8.370 nan 0.000 0.450 150 E N 2.144 122.122 120.200 -0.370 0.000 2.693 150 E HA 0.268 4.618 4.350 -0.000 0.000 0.214 150 E C 1.063 177.442 176.600 -0.367 0.000 0.990 150 E CA -0.046 56.062 56.400 -0.487 0.000 1.047 150 E CB 1.019 30.076 29.700 -1.071 0.000 1.039 150 E HN 0.777 nan 8.360 nan 0.000 0.475 151 G N 2.295 110.959 108.800 -0.226 0.000 3.299 151 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.251 151 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.251 151 G C 0.510 175.371 174.900 -0.064 0.000 1.741 151 G CA 0.062 45.100 45.100 -0.103 0.000 1.151 151 G HN 0.209 nan 8.290 nan 0.000 0.561 152 D N 1.088 121.498 120.400 0.018 0.000 2.371 152 D HA 0.229 4.869 4.640 -0.000 0.000 0.221 152 D C 0.835 177.238 176.300 0.170 0.000 0.986 152 D CA 1.902 55.962 54.000 0.101 0.000 0.899 152 D CB 0.001 40.891 40.800 0.150 0.000 0.902 152 D HN 0.658 nan 8.370 nan 0.000 0.530 153 Y N -1.642 118.644 120.300 -0.024 0.000 2.638 153 Y HA 0.504 5.054 4.550 0.000 0.000 0.335 153 Y C -0.866 175.003 175.900 -0.051 0.000 1.155 153 Y CA -1.736 56.337 58.100 -0.044 0.000 1.046 153 Y CB 0.887 39.328 38.460 -0.031 0.000 1.303 153 Y HN -0.237 nan 8.280 nan 0.000 0.460 154 V N -0.506 119.390 119.914 -0.030 0.000 2.960 154 V HA 0.940 5.060 4.120 -0.000 0.000 0.315 154 V C -1.319 174.815 176.094 0.067 0.000 1.087 154 V CA -1.203 61.024 62.300 -0.122 0.000 0.982 154 V CB 1.474 33.011 31.823 -0.476 0.000 1.039 154 V HN 0.818 nan 8.190 nan 0.000 0.437 155 V N 2.961 122.938 119.914 0.105 0.000 2.483 155 V HA 0.481 4.601 4.120 -0.000 0.000 0.297 155 V C -0.153 176.031 176.094 0.150 0.000 1.027 155 V CA -0.530 61.859 62.300 0.148 0.000 0.855 155 V CB 1.676 33.599 31.823 0.167 0.000 0.995 155 V HN 0.815 nan 8.190 nan 0.000 0.424 156 V N 4.772 124.755 119.914 0.115 0.000 2.432 156 V HA 0.239 4.359 4.120 -0.000 0.000 0.275 156 V C 1.563 177.721 176.094 0.106 0.000 1.043 156 V CA -0.327 62.051 62.300 0.130 0.000 0.925 156 V CB 1.259 33.143 31.823 0.101 0.000 0.985 156 V HN 0.966 nan 8.190 nan 0.000 0.466 157 K N 2.634 123.103 120.400 0.116 0.000 2.090 157 K HA -0.236 4.084 4.320 -0.000 0.000 0.218 157 K C 0.601 177.286 176.600 0.141 0.000 1.055 157 K CA 1.903 58.258 56.287 0.114 0.000 0.941 157 K CB -0.004 32.565 32.500 0.115 0.000 0.722 157 K HN 0.773 nan 8.250 nan 0.000 0.458 158 H N -2.622 116.489 119.070 0.067 0.000 2.947 158 H HA 0.285 4.841 4.556 0.000 0.000 0.354 158 H C 0.061 175.419 175.328 0.048 0.000 1.085 158 H CA 0.171 56.263 56.048 0.073 0.000 1.253 158 H CB 2.209 32.025 29.762 0.090 0.000 1.757 158 H HN 0.153 nan 8.280 nan 0.000 0.523 159 A N 3.959 126.880 122.820 0.168 0.000 1.927 159 A HA -0.212 4.108 4.320 -0.000 0.000 0.220 159 A C 2.266 179.946 177.584 0.160 0.000 1.185 159 A CA 2.250 54.301 52.037 0.025 0.000 0.639 159 A CB -0.825 18.132 19.000 -0.071 0.000 0.820 159 A HN 0.748 nan 8.150 nan 0.000 0.451 160 A N -0.845 122.249 122.820 0.457 0.000 2.019 160 A HA -0.025 4.295 4.320 -0.000 0.000 0.219 160 A C 2.069 179.737 177.584 0.139 0.000 1.164 160 A CA 1.699 53.911 52.037 0.293 0.000 0.644 160 A CB -0.513 18.636 19.000 0.249 0.000 0.805 160 A HN 0.736 nan 8.150 nan 0.000 0.449 161 L N -1.414 119.896 121.223 0.144 0.000 2.046 161 L HA -0.062 4.278 4.340 -0.000 0.000 0.208 161 L C 2.113 179.019 176.870 0.060 0.000 1.077 161 L CA 2.205 57.099 54.840 0.091 0.000 0.747 161 L CB -0.842 41.285 42.059 0.114 0.000 0.896 161 L HN 0.459 nan 8.230 nan 0.000 0.432 162 F N 0.010 119.916 119.950 -0.074 0.000 2.060 162 F HA -0.192 4.335 4.527 0.000 0.000 0.295 162 F C 2.293 177.988 175.800 -0.176 0.000 1.120 162 F CA 2.254 60.180 58.000 -0.124 0.000 1.205 162 F CB -0.875 38.026 39.000 -0.164 0.000 0.986 162 F HN 0.046 nan 8.300 nan 0.000 0.470 163 T N 0.208 114.649 114.554 -0.189 0.000 2.699 163 T HA -0.242 4.108 4.350 -0.000 0.000 0.268 163 T C 2.204 176.662 174.700 -0.403 0.000 1.036 163 T CA 2.023 63.846 62.100 -0.462 0.000 1.147 163 T CB -0.763 67.610 68.868 -0.824 0.000 0.862 163 T HN 0.520 nan 8.240 nan 0.000 0.446 164 S N 0.880 116.459 115.700 -0.202 0.000 2.387 164 S HA -0.100 4.370 4.470 -0.000 0.000 0.226 164 S C 2.159 176.700 174.600 -0.099 0.000 1.026 164 S CA 1.319 59.501 58.200 -0.029 0.000 0.972 164 S CB -0.898 62.368 63.200 0.109 0.000 0.814 164 S HN 0.453 nan 8.310 nan 0.000 0.477 165 T N 2.603 117.053 114.554 -0.172 0.000 2.668 165 T HA 0.005 4.355 4.350 -0.000 0.000 0.262 165 T C 1.976 176.522 174.700 -0.256 0.000 1.045 165 T CA 1.434 63.421 62.100 -0.188 0.000 1.152 165 T CB -0.710 68.037 68.868 -0.202 0.000 0.864 165 T HN 0.251 nan 8.240 nan 0.000 0.419 166 V N 1.774 121.426 119.914 -0.436 0.000 2.282 166 V HA -0.154 3.966 4.120 -0.000 0.000 0.249 166 V C 2.488 178.457 176.094 -0.207 0.000 1.057 166 V CA 1.423 63.462 62.300 -0.434 0.000 1.032 166 V CB -0.757 30.672 31.823 -0.656 0.000 0.645 166 V HN 0.288 nan 8.190 nan 0.000 0.447 167 L N 0.184 121.292 121.223 -0.191 0.000 2.042 167 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 167 L C 2.683 179.535 176.870 -0.031 0.000 1.076 167 L CA 2.438 57.231 54.840 -0.078 0.000 0.749 167 L CB -0.985 41.044 42.059 -0.050 0.000 0.893 167 L HN 0.397 nan 8.230 nan 0.000 0.432 168 S N -1.098 114.577 115.700 -0.042 0.000 2.368 168 S HA -0.200 4.270 4.470 -0.000 0.000 0.225 168 S C 2.046 176.642 174.600 -0.005 0.000 1.030 168 S CA 1.404 59.594 58.200 -0.017 0.000 0.999 168 S CB -0.141 63.044 63.200 -0.024 0.000 0.844 168 S HN 0.525 nan 8.310 nan 0.000 0.459 169 K N 0.289 120.684 120.400 -0.009 0.000 2.103 169 K HA 0.030 4.350 4.320 -0.000 0.000 0.204 169 K C 2.068 178.726 176.600 0.098 0.000 1.052 169 K CA 1.201 57.519 56.287 0.052 0.000 0.945 169 K CB -0.335 32.211 32.500 0.076 0.000 0.722 169 K HN 0.237 nan 8.250 nan 0.000 0.443 170 V N 1.987 121.962 119.914 0.100 0.000 2.343 170 V HA -0.220 3.900 4.120 -0.000 0.000 0.247 170 V C 2.146 178.259 176.094 0.033 0.000 1.051 170 V CA 1.577 63.933 62.300 0.094 0.000 1.036 170 V CB -0.339 31.534 31.823 0.084 0.000 0.654 170 V HN 0.277 nan 8.190 nan 0.000 0.451 171 L N -0.619 120.615 121.223 0.017 0.000 2.275 171 L HA -0.164 4.176 4.340 -0.000 0.000 0.215 171 L C 2.544 179.412 176.870 -0.003 0.000 1.119 171 L CA 1.152 55.992 54.840 -0.000 0.000 0.790 171 L CB -0.487 41.572 42.059 0.001 0.000 0.919 171 L HN 0.402 nan 8.230 nan 0.000 0.443 172 Q N -0.355 119.448 119.800 0.006 0.000 2.297 172 Q HA -0.035 4.305 4.340 -0.000 0.000 0.204 172 Q C 0.404 176.401 176.000 -0.005 0.000 0.962 172 Q CA 0.265 56.069 55.803 0.002 0.000 0.879 172 Q CB 0.126 28.868 28.738 0.008 0.000 0.947 172 Q HN 0.290 nan 8.270 nan 0.000 0.462 173 R N 1.869 122.365 120.500 -0.008 0.000 2.585 173 R HA -0.031 4.309 4.340 -0.000 0.000 0.275 173 R C -1.553 174.736 176.300 -0.019 0.000 1.018 173 R CA -0.850 55.237 56.100 -0.022 0.000 1.072 173 R CB -0.255 30.025 30.300 -0.033 0.000 0.953 173 R HN 0.155 nan 8.270 nan 0.000 0.419 174 P HA -0.050 nan 4.420 nan 0.000 0.241 174 P C 0.165 177.459 177.300 -0.011 0.000 1.191 174 P CA 0.735 63.827 63.100 -0.014 0.000 0.771 174 P CB 0.344 32.035 31.700 -0.014 0.000 0.929 175 N N -0.345 118.345 118.700 -0.017 0.000 2.214 175 N HA 0.074 4.814 4.740 -0.000 0.000 0.214 175 N C -0.309 175.209 175.510 0.014 0.000 1.132 175 N CA -0.240 52.804 53.050 -0.010 0.000 0.856 175 N CB 0.152 38.618 38.487 -0.035 0.000 1.020 175 N HN -0.072 nan 8.380 nan 0.000 0.509 176 V N 0.647 120.562 119.914 0.003 0.000 2.555 176 V HA 0.444 4.564 4.120 -0.000 0.000 0.302 176 V C -0.374 175.683 176.094 -0.062 0.000 1.038 176 V CA -0.802 61.494 62.300 -0.008 0.000 0.887 176 V CB 1.836 33.647 31.823 -0.020 0.000 0.991 176 V HN 0.122 nan 8.190 nan 0.000 0.434 177 K N 3.839 124.147 120.400 -0.153 0.000 2.443 177 K HA 0.639 4.959 4.320 -0.000 0.000 0.252 177 K C -1.589 174.756 176.600 -0.425 0.000 0.933 177 K CA -0.562 55.477 56.287 -0.414 0.000 0.792 177 K CB 1.654 33.608 32.500 -0.911 0.000 1.185 177 K HN 0.515 nan 8.250 nan 0.000 0.425 178 L N 5.581 126.587 121.223 -0.362 0.000 2.283 178 L HA 0.527 4.867 4.340 -0.000 0.000 0.281 178 L C -1.573 175.178 176.870 -0.198 0.000 1.033 178 L CA -0.106 54.613 54.840 -0.202 0.000 0.848 178 L CB -0.043 41.975 42.059 -0.069 0.000 1.226 178 L HN 0.572 nan 8.230 nan 0.000 0.429 179 F N 5.344 125.278 119.950 -0.026 0.000 2.499 179 F HA 0.337 4.864 4.527 -0.000 0.000 0.353 179 F C 0.753 176.599 175.800 0.076 0.000 1.196 179 F CA -0.739 57.279 58.000 0.030 0.000 1.244 179 F CB -0.452 38.517 39.000 -0.052 0.000 1.577 179 F HN 0.603 nan 8.300 nan 0.000 0.614 180 N N 0.998 119.855 118.700 0.262 0.000 2.413 180 N HA 0.430 5.170 4.740 -0.000 0.000 0.266 180 N C 0.848 176.500 175.510 0.237 0.000 1.238 180 N CA 0.194 53.363 53.050 0.198 0.000 0.972 180 N CB 0.862 39.432 38.487 0.138 0.000 1.210 180 N HN 0.476 nan 8.380 nan 0.000 0.547 181 A N -2.116 120.812 122.820 0.179 0.000 2.861 181 A HA -0.169 4.151 4.320 -0.000 0.000 0.261 181 A C -0.069 177.685 177.584 0.283 0.000 1.351 181 A CA 1.446 53.596 52.037 0.189 0.000 0.904 181 A CB -2.460 16.632 19.000 0.154 0.000 1.076 181 A HN 0.806 nan 8.150 nan 0.000 0.729 182 T N 0.726 115.412 114.554 0.219 0.000 2.824 182 T HA 0.625 4.975 4.350 -0.000 0.000 0.282 182 T C -0.100 174.619 174.700 0.032 0.000 0.993 182 T CA 0.297 62.476 62.100 0.131 0.000 0.967 182 T CB 1.755 70.656 68.868 0.054 0.000 0.960 182 T HN 0.378 nan 8.240 nan 0.000 0.441 183 T N 2.031 116.570 114.554 -0.024 0.000 2.885 183 T HA 0.484 4.834 4.350 -0.000 0.000 0.285 183 T C -0.162 174.428 174.700 -0.184 0.000 1.019 183 T CA -0.512 61.536 62.100 -0.086 0.000 1.010 183 T CB 1.427 70.262 68.868 -0.055 0.000 1.022 183 T HN 0.324 nan 8.240 nan 0.000 0.466 184 V N 3.732 123.457 119.914 -0.314 0.000 2.353 184 V HA 0.157 4.277 4.120 -0.000 0.000 0.264 184 V C 1.149 176.813 176.094 -0.717 0.000 1.049 184 V CA 0.065 62.085 62.300 -0.466 0.000 0.896 184 V CB 0.631 32.133 31.823 -0.536 0.000 1.025 184 V HN 0.918 nan 8.190 nan 0.000 0.475 185 E N 2.495 122.493 120.200 -0.337 0.000 2.230 185 E HA 0.040 4.390 4.350 -0.000 0.000 0.192 185 E C 0.254 176.949 176.600 0.159 0.000 0.987 185 E CA 0.470 56.802 56.400 -0.113 0.000 0.841 185 E CB 0.473 30.178 29.700 0.009 0.000 0.783 185 E HN 0.723 nan 8.360 nan 0.000 0.481 186 D N -1.199 119.286 120.400 0.140 0.000 2.838 186 D HA 0.364 5.004 4.640 -0.000 0.000 0.334 186 D C -1.581 174.873 176.300 0.257 0.000 1.315 186 D CA -0.559 53.665 54.000 0.373 0.000 0.917 186 D CB 1.200 42.100 40.800 0.167 0.000 1.435 186 D HN -0.155 nan 8.370 nan 0.000 0.517 187 L N 1.163 122.510 121.223 0.208 0.000 2.354 187 L HA 0.546 4.886 4.340 -0.000 0.000 0.269 187 L C -0.134 176.778 176.870 0.069 0.000 1.005 187 L CA -0.990 53.933 54.840 0.138 0.000 0.819 187 L CB 2.115 44.262 42.059 0.146 0.000 1.311 187 L HN 0.346 nan 8.230 nan 0.000 0.423 188 I N 1.798 122.395 120.570 0.045 0.000 2.371 188 I HA 0.201 4.371 4.170 -0.000 0.000 0.290 188 I C 0.505 176.637 176.117 0.025 0.000 1.028 188 I CA 0.006 61.321 61.300 0.024 0.000 1.345 188 I CB 1.403 39.410 38.000 0.012 0.000 1.407 188 I HN 0.642 nan 8.210 nan 0.000 0.501 189 T N 4.446 119.012 114.554 0.019 0.000 2.932 189 T HA 0.681 5.031 4.350 -0.000 0.000 0.289 189 T C -0.241 174.467 174.700 0.013 0.000 1.039 189 T CA -0.996 61.114 62.100 0.017 0.000 1.024 189 T CB 2.346 71.224 68.868 0.016 0.000 1.090 189 T HN 0.400 nan 8.240 nan 0.000 0.496 190 R N 0.875 121.384 120.500 0.015 0.000 2.740 190 R HA 0.454 4.794 4.340 -0.000 0.000 0.273 190 R C -0.810 175.507 176.300 0.029 0.000 0.998 190 R CA -0.913 55.197 56.100 0.016 0.000 0.900 190 R CB 2.069 32.376 30.300 0.012 0.000 1.223 190 R HN 0.738 nan 8.270 nan 0.000 0.466 191 K N 1.272 121.692 120.400 0.034 0.000 2.350 191 K HA 0.181 4.501 4.320 -0.000 0.000 0.279 191 K C 0.103 176.780 176.600 0.129 0.000 1.027 191 K CA 0.142 56.461 56.287 0.053 0.000 0.969 191 K CB 0.322 32.836 32.500 0.024 0.000 0.954 191 K HN 0.588 nan 8.250 nan 0.000 0.474 211 V N -0.302 119.640 119.914 0.047 0.000 3.074 211 V HA 0.750 4.870 4.120 -0.000 0.000 0.314 211 V C -0.929 175.182 176.094 0.028 0.000 1.117 211 V CA -1.058 61.267 62.300 0.041 0.000 1.014 211 V CB 1.813 33.651 31.823 0.024 0.000 1.057 211 V HN 0.871 nan 8.190 nan 0.000 0.438 212 R N 1.981 122.495 120.500 0.023 0.000 2.514 212 R HA 0.638 4.978 4.340 -0.000 0.000 0.301 212 R C -1.195 175.111 176.300 0.011 0.000 0.962 212 R CA -0.834 55.270 56.100 0.007 0.000 0.882 212 R CB 1.510 31.807 30.300 -0.005 0.000 1.143 212 R HN 0.760 nan 8.270 nan 0.000 0.452 213 I N 4.106 124.683 120.570 0.012 0.000 2.352 213 I HA 0.210 4.380 4.170 -0.000 0.000 0.290 213 I C 0.607 176.733 176.117 0.016 0.000 1.036 213 I CA -0.028 61.285 61.300 0.021 0.000 1.336 213 I CB 0.960 38.980 38.000 0.033 0.000 1.407 213 I HN 0.830 nan 8.210 nan 0.000 0.497 214 A N 4.748 127.578 122.820 0.015 0.000 2.631 214 A HA 0.719 5.039 4.320 -0.000 0.000 0.294 214 A C 0.640 178.232 177.584 0.014 0.000 1.156 214 A CA 0.218 52.260 52.037 0.008 0.000 0.963 214 A CB -0.002 18.997 19.000 -0.001 0.000 1.202 214 A HN 0.965 nan 8.150 nan 0.000 0.523 215 G N -1.260 107.554 108.800 0.024 0.000 2.369 215 G HA2 0.494 4.454 3.960 -0.000 0.000 0.293 215 G HA3 0.494 4.454 3.960 -0.000 0.000 0.293 215 G C -1.057 173.857 174.900 0.024 0.000 1.301 215 G CA 0.094 45.207 45.100 0.021 0.000 0.913 215 G HN 1.476 nan 8.290 nan 0.000 0.540 216 V N -2.512 117.404 119.914 0.003 0.000 2.823 216 V HA 0.879 4.999 4.120 -0.000 0.000 0.312 216 V C -0.101 175.965 176.094 -0.047 0.000 1.072 216 V CA -1.148 61.145 62.300 -0.013 0.000 0.937 216 V CB 1.669 33.470 31.823 -0.036 0.000 1.013 216 V HN 1.120 nan 8.190 nan 0.000 0.430 217 V N 3.947 123.834 119.914 -0.046 0.000 2.383 217 V HA 0.594 4.714 4.120 -0.000 0.000 0.275 217 V C 0.791 176.815 176.094 -0.117 0.000 1.036 217 V CA 0.507 62.768 62.300 -0.064 0.000 0.889 217 V CB 1.073 32.884 31.823 -0.021 0.000 0.985 217 V HN 1.236 nan 8.190 nan 0.000 0.459 218 T N 1.939 116.401 114.554 -0.153 0.000 2.949 218 T HA 0.752 5.101 4.350 -0.000 0.000 0.287 218 T C -0.523 174.049 174.700 -0.214 0.000 1.034 218 T CA -0.824 61.153 62.100 -0.205 0.000 1.018 218 T CB 2.396 71.096 68.868 -0.279 0.000 1.135 218 T HN 0.522 nan 8.240 nan 0.000 0.532 219 N N -1.280 117.276 118.700 -0.240 0.000 3.521 219 N HA 0.160 4.900 4.740 -0.000 0.000 0.228 219 N C -2.010 173.397 175.510 -0.171 0.000 1.328 219 N CA -0.815 52.087 53.050 -0.246 0.000 0.907 219 N CB 0.902 39.358 38.487 -0.053 0.000 1.487 219 N HN 0.858 nan 8.380 nan 0.000 0.503 220 W N 1.563 122.851 121.300 -0.019 0.000 2.264 220 W HA 0.067 4.727 4.660 -0.000 0.000 0.331 220 W C 1.764 178.266 176.519 -0.027 0.000 1.364 220 W CA -0.285 57.049 57.345 -0.018 0.000 1.253 220 W CB 0.301 29.754 29.460 -0.012 0.000 1.215 220 W HN 0.465 nan 8.180 nan 0.000 0.561 221 T N 2.813 117.511 114.554 0.240 0.000 2.653 221 T HA -0.291 4.059 4.350 -0.000 0.000 0.268 221 T C 1.839 176.583 174.700 0.074 0.000 1.035 221 T CA 1.431 63.598 62.100 0.111 0.000 1.154 221 T CB -0.329 68.595 68.868 0.095 0.000 0.862 221 T HN 0.405 nan 8.240 nan 0.000 0.441 222 L N 0.559 121.846 121.223 0.106 0.000 2.127 222 L HA -0.095 4.245 4.340 -0.000 0.000 0.211 222 L C 2.565 179.492 176.870 0.096 0.000 1.089 222 L CA 0.766 55.667 54.840 0.102 0.000 0.757 222 L CB -0.482 41.643 42.059 0.110 0.000 0.899 222 L HN 0.179 nan 8.230 nan 0.000 0.434 223 V N -1.501 118.462 119.914 0.083 0.000 2.453 223 V HA -0.195 3.925 4.120 -0.000 0.000 0.247 223 V C 2.389 178.289 176.094 -0.323 0.000 1.048 223 V CA 1.747 64.018 62.300 -0.048 0.000 1.049 223 V CB -0.016 31.838 31.823 0.051 0.000 0.672 223 V HN 0.365 nan 8.190 nan 0.000 0.457 224 S N -0.269 115.347 115.700 -0.139 0.000 2.447 224 S HA -0.028 4.442 4.470 -0.000 0.000 0.233 224 S C 1.707 176.268 174.600 -0.066 0.000 1.006 224 S CA 1.278 59.448 58.200 -0.050 0.000 0.957 224 S CB -0.233 62.997 63.200 0.050 0.000 0.773 224 S HN 0.517 nan 8.310 nan 0.000 0.507 225 M N 0.269 119.755 119.600 -0.190 0.000 2.502 225 M HA 0.126 4.606 4.480 -0.000 0.000 0.243 225 M C -0.003 175.934 176.300 -0.605 0.000 1.130 225 M CA 0.640 55.733 55.300 -0.346 0.000 1.055 225 M CB 0.248 32.589 32.600 -0.431 0.000 1.457 225 M HN 0.172 nan 8.290 nan 0.000 0.488 226 H N -1.213 117.808 119.070 -0.082 0.000 2.676 226 H HA 0.234 4.790 4.556 -0.000 0.000 0.238 226 H C 0.143 175.428 175.328 -0.072 0.000 1.276 226 H CA -0.202 55.812 56.048 -0.056 0.000 0.983 226 H CB -0.038 29.694 29.762 -0.050 0.000 2.000 226 H HN 0.202 nan 8.280 nan 0.000 0.584 227 H N 0.850 119.972 119.070 0.086 0.000 2.611 227 H HA 0.013 4.569 4.556 -0.000 0.000 0.283 227 H C 0.125 175.494 175.328 0.067 0.000 1.075 227 H CA 0.475 56.566 56.048 0.071 0.000 1.184 227 H CB 0.373 30.163 29.762 0.046 0.000 1.294 227 H HN 0.547 nan 8.280 nan 0.000 0.619 228 D N -1.077 119.421 120.400 0.163 0.000 2.212 228 D HA -0.041 4.599 4.640 -0.000 0.000 0.311 228 D C 0.591 176.949 176.300 0.096 0.000 1.091 228 D CA 0.024 54.096 54.000 0.119 0.000 0.910 228 D CB -0.195 40.668 40.800 0.104 0.000 1.707 228 D HN 0.219 nan 8.370 nan 0.000 0.522 229 D N 1.066 121.532 120.400 0.110 0.000 2.348 229 D HA 0.061 4.701 4.640 -0.000 0.000 0.248 229 D C 0.546 176.864 176.300 0.030 0.000 1.142 229 D CA 0.882 54.917 54.000 0.058 0.000 0.904 229 D CB 0.313 41.133 40.800 0.033 0.000 0.901 229 D HN 0.042 nan 8.370 nan 0.000 0.523 230 Q N -1.264 118.568 119.800 0.053 0.000 2.869 230 Q HA 0.318 4.658 4.340 -0.000 0.000 0.322 230 Q C -0.498 175.539 176.000 0.062 0.000 0.832 230 Q CA -0.580 55.250 55.803 0.044 0.000 0.791 230 Q CB 0.887 29.648 28.738 0.039 0.000 1.412 230 Q HN -0.031 nan 8.270 nan 0.000 0.483 234 D N 4.828 125.288 120.400 0.101 0.000 2.423 234 D HA 0.281 4.921 4.640 -0.000 0.000 0.238 234 D C -1.859 174.467 176.300 0.043 0.000 1.142 234 D CA -0.153 53.883 54.000 0.059 0.000 0.884 234 D CB 0.708 41.525 40.800 0.029 0.000 1.199 234 D HN 0.261 nan 8.370 nan 0.000 0.438 235 P HA 0.202 nan 4.420 nan 0.000 0.297 235 P C -0.206 177.046 177.300 -0.081 0.000 1.307 235 P CA -0.595 62.481 63.100 -0.038 0.000 0.773 235 P CB 1.289 32.970 31.700 -0.031 0.000 1.265 236 N N -1.561 117.053 118.700 -0.142 0.000 2.906 236 N HA 0.500 5.240 4.740 -0.000 0.000 0.327 236 N C -0.991 174.437 175.510 -0.137 0.000 1.344 236 N CA -0.188 52.770 53.050 -0.153 0.000 0.823 236 N CB 1.449 39.792 38.487 -0.240 0.000 1.351 236 N HN 0.566 nan 8.380 nan 0.000 0.604 237 T N -1.912 112.563 114.554 -0.131 0.000 2.883 237 T HA 0.689 5.039 4.350 -0.000 0.000 0.301 237 T C -0.646 173.993 174.700 -0.102 0.000 1.158 237 T CA -0.681 61.359 62.100 -0.101 0.000 1.007 237 T CB 0.880 69.712 68.868 -0.060 0.000 1.186 237 T HN 0.312 nan 8.240 nan 0.000 0.499 238 I N 2.128 122.654 120.570 -0.073 0.000 2.497 238 I HA 0.324 4.494 4.170 -0.000 0.000 0.284 238 I C -0.984 175.126 176.117 -0.011 0.000 1.060 238 I CA -0.909 60.364 61.300 -0.044 0.000 1.071 238 I CB 1.826 39.800 38.000 -0.044 0.000 1.216 238 I HN 0.620 nan 8.210 nan 0.000 0.442 239 N N 4.876 123.575 118.700 -0.003 0.000 2.499 239 N HA 0.737 5.477 4.740 -0.000 0.000 0.281 239 N C -0.603 174.921 175.510 0.022 0.000 1.098 239 N CA -0.173 52.881 53.050 0.005 0.000 0.979 239 N CB 1.652 40.139 38.487 -0.001 0.000 1.121 239 N HN 0.718 nan 8.380 nan 0.000 0.466 240 A N 2.365 125.200 122.820 0.026 0.000 2.566 240 A HA 0.484 4.804 4.320 -0.000 0.000 0.297 240 A C -2.273 175.328 177.584 0.028 0.000 1.059 240 A CA -1.007 51.058 52.037 0.047 0.000 0.691 240 A CB 1.509 20.552 19.000 0.073 0.000 1.282 240 A HN 0.498 nan 8.150 nan 0.000 0.401 241 P HA 0.052 nan 4.420 nan 0.000 0.229 241 P C 0.371 177.663 177.300 -0.013 0.000 1.160 241 P CA 1.320 64.388 63.100 -0.054 0.000 0.777 241 P CB 0.238 31.817 31.700 -0.202 0.000 0.814 242 V N -0.955 119.000 119.914 0.067 0.000 2.655 242 V HA 0.529 4.649 4.120 -0.000 0.000 0.301 242 V C -1.646 174.505 176.094 0.095 0.000 1.082 242 V CA -1.148 61.204 62.300 0.088 0.000 0.899 242 V CB 1.878 33.788 31.823 0.144 0.000 1.014 242 V HN -0.325 nan 8.190 nan 0.000 0.429 243 I N 7.195 127.809 120.570 0.073 0.000 2.378 243 I HA 0.535 4.705 4.170 -0.000 0.000 0.291 243 I C 0.021 176.181 176.117 0.072 0.000 0.992 243 I CA -0.376 60.968 61.300 0.073 0.000 1.154 243 I CB 1.803 39.845 38.000 0.069 0.000 1.315 243 I HN 0.566 nan 8.210 nan 0.000 0.448 244 I N 4.965 125.579 120.570 0.072 0.000 2.306 244 I HA 0.226 4.396 4.170 -0.000 0.000 0.288 244 I C 0.129 176.288 176.117 0.070 0.000 1.036 244 I CA -0.262 61.079 61.300 0.068 0.000 1.221 244 I CB 1.035 39.074 38.000 0.065 0.000 1.385 244 I HN 0.486 nan 8.210 nan 0.000 0.472 245 S N 4.791 120.536 115.700 0.074 0.000 2.438 245 S HA 0.499 4.969 4.470 -0.000 0.000 0.293 245 S C 0.066 174.712 174.600 0.075 0.000 1.141 245 S CA -0.367 57.885 58.200 0.087 0.000 1.080 245 S CB 0.385 63.652 63.200 0.113 0.000 0.978 245 S HN 0.683 nan 8.310 nan 0.000 0.479 246 T N 1.095 115.693 114.554 0.073 0.000 3.198 246 T HA 0.319 4.669 4.350 -0.000 0.000 0.352 246 T C 0.022 174.759 174.700 0.062 0.000 1.197 246 T CA -0.612 61.525 62.100 0.062 0.000 1.427 246 T CB 0.069 68.971 68.868 0.056 0.000 0.983 246 T HN 0.550 nan 8.240 nan 0.000 0.560 247 T N -0.857 113.738 114.554 0.069 0.000 3.308 247 T HA 0.626 4.976 4.350 -0.000 0.000 0.270 247 T C 1.187 175.904 174.700 0.028 0.000 0.992 247 T CA 0.018 62.155 62.100 0.062 0.000 0.931 247 T CB -0.359 68.571 68.868 0.104 0.000 1.142 247 T HN 1.587 nan 8.240 nan 0.000 0.525 248 G N 2.440 111.245 108.800 0.007 0.000 2.806 248 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.236 248 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.236 248 G C -0.381 174.497 174.900 -0.037 0.000 1.387 248 G CA -0.121 44.944 45.100 -0.060 0.000 0.884 248 G HN 1.301 nan 8.290 nan 0.000 0.560 249 H N -0.304 118.780 119.070 0.023 0.000 2.505 249 H HA 0.684 5.240 4.556 0.000 0.000 0.355 249 H C 0.557 175.898 175.328 0.021 0.000 1.179 249 H CA -0.382 55.675 56.048 0.014 0.000 1.343 249 H CB 0.707 30.467 29.762 -0.002 0.000 1.501 249 H HN 0.611 nan 8.280 nan 0.000 0.569 250 D N 0.247 120.772 120.400 0.209 0.000 2.777 250 D HA 0.204 4.844 4.640 -0.000 0.000 0.218 250 D C 0.659 177.051 176.300 0.154 0.000 1.153 250 D CA 2.471 56.554 54.000 0.139 0.000 0.846 250 D CB 0.228 41.087 40.800 0.098 0.000 1.209 250 D HN 0.998 nan 8.370 nan 0.000 0.517 251 G N 2.355 111.207 108.800 0.085 0.000 2.333 251 G HA2 0.144 4.104 3.960 -0.000 0.000 0.288 251 G HA3 0.144 4.104 3.960 -0.000 0.000 0.288 251 G C -2.232 172.700 174.900 0.053 0.000 1.286 251 G CA -0.227 44.914 45.100 0.069 0.000 0.865 251 G HN 0.337 nan 8.290 nan 0.000 0.506 252 P HA 0.115 nan 4.420 nan 0.000 0.215 252 P C 1.989 179.324 177.300 0.059 0.000 1.157 252 P CA 3.257 66.384 63.100 0.045 0.000 0.863 252 P CB -0.053 31.667 31.700 0.033 0.000 0.787 253 F N -0.059 119.922 119.950 0.051 0.000 2.274 253 F HA 0.404 4.931 4.527 -0.000 0.000 0.288 253 F C 1.715 177.569 175.800 0.088 0.000 1.069 253 F CA 0.097 58.136 58.000 0.064 0.000 1.343 253 F CB -1.431 37.592 39.000 0.040 0.000 1.089 253 F HN -0.029 nan 8.300 nan 0.000 0.517 254 G N -1.435 107.394 108.800 0.047 0.000 2.771 254 G HA2 0.442 4.402 3.960 -0.000 0.000 0.242 254 G HA3 0.442 4.402 3.960 -0.000 0.000 0.242 254 G C 1.081 176.032 174.900 0.086 0.000 1.233 254 G CA 0.434 45.559 45.100 0.041 0.000 0.858 254 G HN 2.166 nan 8.290 nan 0.000 0.591 255 A N -0.583 122.284 122.820 0.079 0.000 2.511 255 A HA -0.231 4.089 4.320 -0.000 0.000 0.297 255 A C 1.037 178.665 177.584 0.074 0.000 1.476 255 A CA 1.480 53.563 52.037 0.077 0.000 0.757 255 A CB -1.796 17.239 19.000 0.059 0.000 1.072 255 A HN 1.493 nan 8.150 nan 0.000 0.413 256 F N 0.904 120.864 119.950 0.016 0.000 2.031 256 F HA -0.131 4.396 4.527 0.000 0.000 0.295 256 F C 2.344 178.153 175.800 0.014 0.000 1.133 256 F CA 2.703 60.712 58.000 0.015 0.000 1.188 256 F CB -0.416 38.593 39.000 0.016 0.000 0.974 256 F HN 0.345 nan 8.300 nan 0.000 0.473 257 S N 0.042 115.779 115.700 0.060 0.000 2.370 257 S HA -0.192 4.278 4.470 -0.000 0.000 0.226 257 S C 2.153 176.678 174.600 -0.125 0.000 1.033 257 S CA 1.428 59.609 58.200 -0.031 0.000 1.011 257 S CB -0.704 62.576 63.200 0.133 0.000 0.852 257 S HN 0.271 nan 8.310 nan 0.000 0.457 258 V N 1.739 121.613 119.914 -0.067 0.000 2.295 258 V HA -0.217 3.903 4.120 -0.000 0.000 0.246 258 V C 2.292 178.320 176.094 -0.109 0.000 1.049 258 V CA 1.768 64.032 62.300 -0.061 0.000 1.024 258 V CB -0.560 31.250 31.823 -0.022 0.000 0.648 258 V HN 0.404 nan 8.190 nan 0.000 0.447 259 K N -0.298 120.012 120.400 -0.150 0.000 2.063 259 K HA -0.223 4.097 4.320 -0.000 0.000 0.208 259 K C 2.371 178.837 176.600 -0.223 0.000 1.048 259 K CA 1.505 57.693 56.287 -0.165 0.000 0.928 259 K CB -0.241 32.161 32.500 -0.162 0.000 0.713 259 K HN 0.127 nan 8.250 nan 0.000 0.442 260 R N 1.367 121.641 120.500 -0.376 0.000 2.148 260 R HA -0.004 4.336 4.340 -0.000 0.000 0.227 260 R C 1.726 177.918 176.300 -0.181 0.000 1.103 260 R CA 1.151 57.037 56.100 -0.357 0.000 0.983 260 R CB -0.526 29.414 30.300 -0.600 0.000 0.874 260 R HN 0.191 nan 8.270 nan 0.000 0.451 261 L N -0.638 120.501 121.223 -0.140 0.000 2.201 261 L HA -0.116 4.224 4.340 -0.000 0.000 0.212 261 L C 1.981 178.813 176.870 -0.064 0.000 1.105 261 L CA 0.735 55.529 54.840 -0.076 0.000 0.775 261 L CB -0.210 41.817 42.059 -0.053 0.000 0.913 261 L HN 0.031 nan 8.230 nan 0.000 0.440 262 V N -0.759 119.110 119.914 -0.075 0.000 2.346 262 V HA -0.194 3.926 4.120 -0.000 0.000 0.244 262 V C 2.537 178.599 176.094 -0.054 0.000 1.037 262 V CA 1.752 64.018 62.300 -0.056 0.000 1.029 262 V CB -0.391 31.399 31.823 -0.054 0.000 0.663 262 V HN 0.582 nan 8.190 nan 0.000 0.454 263 S N -0.243 115.414 115.700 -0.072 0.000 2.469 263 S HA -0.101 4.369 4.470 -0.000 0.000 0.238 263 S C 1.703 176.275 174.600 -0.047 0.000 0.998 263 S CA 1.307 59.472 58.200 -0.059 0.000 0.957 263 S CB -0.499 62.659 63.200 -0.071 0.000 0.764 263 S HN 0.541 nan 8.310 nan 0.000 0.514 264 M N 0.571 120.141 119.600 -0.050 0.000 2.495 264 M HA 0.251 4.731 4.480 -0.000 0.000 0.237 264 M C -0.225 176.060 176.300 -0.025 0.000 1.131 264 M CA 0.064 55.344 55.300 -0.033 0.000 1.032 264 M CB 0.009 32.590 32.600 -0.032 0.000 1.513 264 M HN -0.004 nan 8.290 nan 0.000 0.488 265 K N 0.748 121.131 120.400 -0.027 0.000 3.117 265 K HA -0.162 4.158 4.320 -0.000 0.000 0.269 265 K C 0.214 176.804 176.600 -0.017 0.000 1.098 265 K CA 0.516 56.790 56.287 -0.021 0.000 0.785 265 K CB -1.817 30.674 32.500 -0.016 0.000 1.242 265 K HN 0.438 nan 8.250 nan 0.000 0.491 266 Q N -1.102 118.687 119.800 -0.019 0.000 2.281 266 Q HA 0.292 4.632 4.340 -0.000 0.000 0.215 266 Q C 0.641 176.633 176.000 -0.014 0.000 0.867 266 Q CA 0.507 56.302 55.803 -0.013 0.000 0.940 266 Q CB 0.719 29.450 28.738 -0.012 0.000 1.111 266 Q HN 0.338 nan 8.270 nan 0.000 0.513 267 M N -0.127 119.461 119.600 -0.019 0.000 2.572 267 M HA 0.275 4.755 4.480 -0.000 0.000 0.299 267 M C 0.553 176.842 176.300 -0.018 0.000 1.205 267 M CA -0.390 54.898 55.300 -0.019 0.000 0.876 267 M CB 2.118 34.703 32.600 -0.024 0.000 1.728 267 M HN -0.206 nan 8.290 nan 0.000 0.458 268 E N 1.688 121.879 120.200 -0.015 0.000 2.107 268 E HA -0.014 4.336 4.350 -0.000 0.000 0.191 268 E C 0.519 177.109 176.600 -0.016 0.000 0.982 268 E CA 1.076 57.468 56.400 -0.014 0.000 0.809 268 E CB 0.433 30.126 29.700 -0.011 0.000 0.756 268 E HN 0.723 nan 8.360 nan 0.000 0.459 269 R N -2.298 118.192 120.500 -0.018 0.000 3.135 269 R HA 0.257 4.597 4.340 -0.000 0.000 0.276 269 R C -1.652 174.637 176.300 -0.019 0.000 0.925 269 R CA -0.757 55.332 56.100 -0.019 0.000 0.809 269 R CB -0.036 30.255 30.300 -0.015 0.000 1.511 269 R HN -0.079 nan 8.270 nan 0.000 0.486 270 L N 2.315 123.528 121.223 -0.018 0.000 2.319 270 L HA 0.424 4.764 4.340 -0.000 0.000 0.281 270 L C 0.766 177.628 176.870 -0.014 0.000 1.005 270 L CA -0.577 54.253 54.840 -0.016 0.000 0.828 270 L CB 1.544 43.593 42.059 -0.015 0.000 1.227 270 L HN 0.633 nan 8.230 nan 0.000 0.415 271 N N 2.773 121.465 118.700 -0.013 0.000 2.192 271 N HA -0.090 4.650 4.740 -0.000 0.000 0.188 271 N C 0.751 176.251 175.510 -0.016 0.000 1.013 271 N CA 1.039 54.081 53.050 -0.014 0.000 0.863 271 N CB 0.034 38.513 38.487 -0.014 0.000 0.990 271 N HN 0.824 nan 8.380 nan 0.000 0.430 272 G N 1.060 109.851 108.800 -0.015 0.000 2.767 272 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.686 272 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.686 272 G C -0.249 174.634 174.900 -0.029 0.000 1.213 272 G CA -0.122 44.967 45.100 -0.018 0.000 0.803 272 G HN 0.296 nan 8.290 nan 0.000 0.603 273 M N 2.077 121.654 119.600 -0.038 0.000 2.260 273 M HA 0.256 4.736 4.480 -0.000 0.000 0.348 273 M C 0.822 177.078 176.300 -0.073 0.000 1.342 273 M CA 0.143 55.403 55.300 -0.066 0.000 1.040 273 M CB 0.209 32.737 32.600 -0.120 0.000 1.810 273 M HN 0.668 nan 8.290 nan 0.000 0.453 274 R N 3.411 123.871 120.500 -0.067 0.000 2.719 274 R HA 0.601 4.941 4.340 -0.000 0.000 0.233 274 R C 0.332 176.589 176.300 -0.071 0.000 1.257 274 R CA -0.292 55.772 56.100 -0.060 0.000 1.109 274 R CB -0.350 29.923 30.300 -0.045 0.000 1.447 274 R HN 0.926 nan 8.270 nan 0.000 0.537 275 G N 0.163 108.928 108.800 -0.059 0.000 2.825 275 G HA2 0.064 4.024 3.960 -0.000 0.000 0.241 275 G HA3 0.064 4.024 3.960 -0.000 0.000 0.241 275 G C -0.477 174.384 174.900 -0.065 0.000 1.239 275 G CA -0.413 44.651 45.100 -0.060 0.000 0.859 275 G HN 0.405 nan 8.290 nan 0.000 0.598 276 L N 0.344 121.529 121.223 -0.064 0.000 2.281 276 L HA 0.445 4.785 4.340 -0.000 0.000 0.285 276 L C -0.573 176.264 176.870 -0.056 0.000 1.074 276 L CA -0.255 54.545 54.840 -0.066 0.000 0.817 276 L CB 1.056 43.075 42.059 -0.067 0.000 1.168 276 L HN 0.487 nan 8.230 nan 0.000 0.434 277 D N 4.586 124.952 120.400 -0.057 0.000 2.752 277 D HA 0.112 4.752 4.640 -0.000 0.000 0.242 277 D C 0.748 177.016 176.300 -0.053 0.000 1.295 277 D CA -0.271 53.700 54.000 -0.049 0.000 0.846 277 D CB 0.602 41.377 40.800 -0.042 0.000 1.454 277 D HN 0.553 nan 8.370 nan 0.000 0.535 278 M N 0.396 119.959 119.600 -0.061 0.000 2.103 278 M HA -0.289 4.191 4.480 -0.000 0.000 0.255 278 M C 1.984 178.250 176.300 -0.056 0.000 1.074 278 M CA 2.054 57.313 55.300 -0.068 0.000 1.090 278 M CB -0.092 32.461 32.600 -0.078 0.000 1.325 278 M HN 0.378 nan 8.290 nan 0.000 0.403 279 Q N -0.395 119.376 119.800 -0.047 0.000 2.061 279 Q HA -0.183 4.157 4.340 -0.000 0.000 0.204 279 Q C 2.279 178.259 176.000 -0.033 0.000 0.984 279 Q CA 2.182 57.962 55.803 -0.037 0.000 0.846 279 Q CB -0.187 28.532 28.738 -0.031 0.000 0.902 279 Q HN 0.689 nan 8.270 nan 0.000 0.421 280 S N -0.281 115.399 115.700 -0.033 0.000 2.436 280 S HA 0.067 4.537 4.470 -0.000 0.000 0.228 280 S C 2.022 176.602 174.600 -0.033 0.000 1.014 280 S CA 0.518 58.700 58.200 -0.029 0.000 0.950 280 S CB -0.023 63.161 63.200 -0.027 0.000 0.784 280 S HN 0.360 nan 8.310 nan 0.000 0.504 281 A N 2.560 125.356 122.820 -0.040 0.000 1.832 281 A HA -0.074 4.246 4.320 -0.000 0.000 0.214 281 A C 2.205 179.763 177.584 -0.044 0.000 1.200 281 A CA 1.469 53.480 52.037 -0.044 0.000 0.610 281 A CB -0.897 18.070 19.000 -0.056 0.000 0.842 281 A HN 0.597 nan 8.150 nan 0.000 0.444 282 E N -0.207 119.963 120.200 -0.050 0.000 2.118 282 E HA -0.229 4.121 4.350 -0.000 0.000 0.195 282 E C 1.552 178.129 176.600 -0.038 0.000 0.992 282 E CA 1.357 57.728 56.400 -0.049 0.000 0.804 282 E CB -0.328 29.340 29.700 -0.054 0.000 0.741 282 E HN 0.534 nan 8.360 nan 0.000 0.458 283 D N 0.481 120.862 120.400 -0.032 0.000 2.117 283 D HA -0.114 4.526 4.640 -0.000 0.000 0.197 283 D C 1.865 178.151 176.300 -0.024 0.000 0.987 283 D CA 1.292 55.277 54.000 -0.026 0.000 0.829 283 D CB -0.299 40.488 40.800 -0.022 0.000 0.961 283 D HN 0.166 nan 8.370 nan 0.000 0.460 284 A N 1.290 124.095 122.820 -0.024 0.000 1.841 284 A HA -0.187 4.133 4.320 -0.000 0.000 0.216 284 A C 2.153 179.726 177.584 -0.018 0.000 1.199 284 A CA 1.147 53.172 52.037 -0.020 0.000 0.621 284 A CB -0.749 18.238 19.000 -0.022 0.000 0.835 284 A HN 0.107 nan 8.150 nan 0.000 0.445 285 I N 0.027 120.584 120.570 -0.022 0.000 2.113 285 I HA -0.254 3.916 4.170 -0.000 0.000 0.242 285 I C 2.594 178.701 176.117 -0.018 0.000 1.064 285 I CA 1.566 62.855 61.300 -0.019 0.000 1.320 285 I CB -1.627 36.359 38.000 -0.024 0.000 1.028 285 I HN 0.160 nan 8.210 nan 0.000 0.406 286 V N 1.491 121.390 119.914 -0.025 0.000 2.233 286 V HA -0.275 3.845 4.120 -0.000 0.000 0.247 286 V C 2.148 178.231 176.094 -0.019 0.000 1.050 286 V CA 2.079 64.362 62.300 -0.027 0.000 1.010 286 V CB -0.846 30.956 31.823 -0.035 0.000 0.637 286 V HN 0.431 nan 8.190 nan 0.000 0.444 287 N N 0.725 119.415 118.700 -0.017 0.000 2.519 287 N HA -0.091 4.649 4.740 -0.000 0.000 0.186 287 N C 1.183 176.691 175.510 -0.004 0.000 1.062 287 N CA 0.864 53.907 53.050 -0.011 0.000 0.910 287 N CB -0.329 38.151 38.487 -0.012 0.000 0.958 287 N HN 0.553 nan 8.380 nan 0.000 0.445 288 N N -0.184 118.514 118.700 -0.003 0.000 2.187 288 N HA 0.026 4.766 4.740 -0.000 0.000 0.212 288 N C -0.367 175.148 175.510 0.008 0.000 1.152 288 N CA 0.107 53.158 53.050 0.002 0.000 0.872 288 N CB 0.609 39.096 38.487 -0.000 0.000 1.025 288 N HN -0.042 nan 8.380 nan 0.000 0.514 289 T N 2.874 117.433 114.554 0.008 0.000 2.817 289 T HA 0.231 4.581 4.350 -0.000 0.000 0.295 289 T C 0.444 175.159 174.700 0.026 0.000 0.958 289 T CA 0.286 62.396 62.100 0.016 0.000 1.157 289 T CB 0.269 69.144 68.868 0.012 0.000 0.898 289 T HN 0.404 nan 8.240 nan 0.000 0.536 290 R N 1.571 122.088 120.500 0.028 0.000 2.855 290 R HA 0.382 4.722 4.340 -0.000 0.000 0.274 290 R C -1.253 175.065 176.300 0.030 0.000 0.997 290 R CA -1.028 55.092 56.100 0.033 0.000 0.856 290 R CB 0.348 30.665 30.300 0.028 0.000 1.378 290 R HN 0.434 nan 8.270 nan 0.000 0.462 291 E N 0.805 121.021 120.200 0.028 0.000 2.220 291 E HA 0.079 4.429 4.350 -0.000 0.000 0.272 291 E C 0.288 176.898 176.600 0.016 0.000 1.099 291 E CA -0.319 56.095 56.400 0.023 0.000 0.907 291 E CB 0.394 30.105 29.700 0.018 0.000 1.022 291 E HN 0.476 nan 8.360 nan 0.000 0.428 292 I N 4.431 125.012 120.570 0.017 0.000 2.333 292 I HA -0.019 4.151 4.170 -0.000 0.000 0.246 292 I C 0.762 176.884 176.117 0.007 0.000 1.106 292 I CA 0.766 62.073 61.300 0.012 0.000 1.411 292 I CB -0.152 37.855 38.000 0.013 0.000 1.082 292 I HN 0.325 nan 8.210 nan 0.000 0.420 293 V N 0.390 120.309 119.914 0.008 0.000 3.049 293 V HA 0.327 4.447 4.120 -0.000 0.000 0.309 293 V C -2.458 173.637 176.094 0.000 0.000 1.148 293 V CA -1.684 60.618 62.300 0.004 0.000 0.990 293 V CB 2.377 34.204 31.823 0.006 0.000 1.039 293 V HN -0.070 nan 8.190 nan 0.000 0.430 294 P HA 0.173 nan 4.420 nan 0.000 0.260 294 P C 0.824 178.118 177.300 -0.010 0.000 1.172 294 P CA 1.853 64.940 63.100 -0.021 0.000 0.760 294 P CB 0.325 32.000 31.700 -0.042 0.000 0.773 295 G N 2.194 110.991 108.800 -0.005 0.000 2.205 295 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.261 295 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.261 295 G C -0.281 174.636 174.900 0.027 0.000 0.980 295 G CA 0.019 45.123 45.100 0.007 0.000 0.632 295 G HN 0.592 nan 8.290 nan 0.000 0.533 296 L N 1.417 122.656 121.223 0.027 0.000 2.345 296 L HA 0.770 5.110 4.340 -0.000 0.000 0.274 296 L C -0.234 176.659 176.870 0.038 0.000 0.999 296 L CA -1.094 53.769 54.840 0.038 0.000 0.849 296 L CB 1.029 43.110 42.059 0.037 0.000 1.220 296 L HN 0.145 nan 8.230 nan 0.000 0.422 297 I N 5.386 125.984 120.570 0.047 0.000 2.359 297 I HA 0.489 4.659 4.170 -0.000 0.000 0.294 297 I C -0.575 175.571 176.117 0.048 0.000 0.987 297 I CA -0.807 60.520 61.300 0.045 0.000 1.225 297 I CB 1.794 39.824 38.000 0.051 0.000 1.366 297 I HN 0.259 nan 8.210 nan 0.000 0.466 298 V N 4.974 124.912 119.914 0.041 0.000 2.628 298 V HA 0.879 4.999 4.120 -0.000 0.000 0.306 298 V C 0.352 176.468 176.094 0.036 0.000 1.045 298 V CA -0.350 61.975 62.300 0.042 0.000 0.905 298 V CB 1.648 33.493 31.823 0.036 0.000 0.997 298 V HN 0.958 nan 8.190 nan 0.000 0.436 299 G N 1.130 109.952 108.800 0.038 0.000 2.687 299 G HA2 0.768 4.728 3.960 -0.000 0.000 0.291 299 G HA3 0.768 4.728 3.960 -0.000 0.000 0.291 299 G C -0.084 174.833 174.900 0.029 0.000 1.420 299 G CA 0.229 45.346 45.100 0.029 0.000 0.796 299 G HN 1.524 nan 8.290 nan 0.000 0.485 300 G N -0.781 108.031 108.800 0.019 0.000 2.645 300 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.246 300 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.246 300 G C 1.057 175.972 174.900 0.025 0.000 1.322 300 G CA 0.421 45.533 45.100 0.021 0.000 0.898 300 G HN 0.861 nan 8.290 nan 0.000 0.573 301 M N 0.510 120.131 119.600 0.034 0.000 2.460 301 M HA 0.006 4.486 4.480 -0.000 0.000 0.263 301 M C 2.197 178.544 176.300 0.078 0.000 1.071 301 M CA 1.961 57.298 55.300 0.063 0.000 1.096 301 M CB -1.186 31.484 32.600 0.117 0.000 1.408 301 M HN 0.784 nan 8.290 nan 0.000 0.463 302 E N 0.249 120.484 120.200 0.060 0.000 2.110 302 E HA -0.228 4.122 4.350 -0.000 0.000 0.193 302 E C 1.922 178.551 176.600 0.048 0.000 0.988 302 E CA 0.873 57.310 56.400 0.062 0.000 0.804 302 E CB -0.012 29.724 29.700 0.059 0.000 0.745 302 E HN 0.302 nan 8.360 nan 0.000 0.458 303 L N 1.044 122.289 121.223 0.037 0.000 2.079 303 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 303 L C 2.391 179.272 176.870 0.018 0.000 1.081 303 L CA 2.290 57.144 54.840 0.024 0.000 0.752 303 L CB -0.748 41.321 42.059 0.017 0.000 0.896 303 L HN 0.232 nan 8.230 nan 0.000 0.433 304 S N -1.552 114.161 115.700 0.022 0.000 2.400 304 S HA -0.201 4.269 4.470 -0.000 0.000 0.232 304 S C 1.823 176.428 174.600 0.007 0.000 1.025 304 S CA 1.197 59.402 58.200 0.009 0.000 0.993 304 S CB -0.569 62.635 63.200 0.007 0.000 0.808 304 S HN 0.557 nan 8.310 nan 0.000 0.478 305 E N 1.123 121.338 120.200 0.025 0.000 2.047 305 E HA 0.021 4.371 4.350 -0.000 0.000 0.191 305 E C 2.058 178.661 176.600 0.004 0.000 0.987 305 E CA 1.125 57.536 56.400 0.018 0.000 0.799 305 E CB -0.435 29.286 29.700 0.035 0.000 0.752 305 E HN 0.668 nan 8.360 nan 0.000 0.449 306 I N 1.153 121.726 120.570 0.005 0.000 2.333 306 I HA -0.201 3.969 4.170 -0.000 0.000 0.246 306 I C 1.130 177.245 176.117 -0.004 0.000 1.106 306 I CA 1.221 62.519 61.300 -0.002 0.000 1.411 306 I CB 0.176 38.175 38.000 -0.001 0.000 1.082 306 I HN -0.121 nan 8.210 nan 0.000 0.420 307 D N 1.238 121.636 120.400 -0.003 0.000 2.347 307 D HA 0.066 4.706 4.640 -0.000 0.000 0.213 307 D C 1.179 177.473 176.300 -0.010 0.000 0.985 307 D CA 1.018 55.015 54.000 -0.006 0.000 0.879 307 D CB -0.080 40.717 40.800 -0.005 0.000 0.919 307 D HN 0.499 nan 8.370 nan 0.000 0.526 308 G N 0.967 109.760 108.800 -0.012 0.000 2.370 308 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.295 308 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.295 308 G C 0.210 175.097 174.900 -0.021 0.000 1.045 308 G CA 0.342 45.431 45.100 -0.017 0.000 1.199 308 G HN 0.538 nan 8.290 nan 0.000 0.513 309 A N 0.711 123.517 122.820 -0.024 0.000 2.288 309 A HA 0.827 5.147 4.320 -0.000 0.000 0.328 309 A C 0.545 178.105 177.584 -0.039 0.000 1.123 309 A CA -0.800 51.220 52.037 -0.028 0.000 0.861 309 A CB 0.788 19.774 19.000 -0.024 0.000 1.272 309 A HN 0.441 nan 8.150 nan 0.000 0.490 310 N N 0.547 119.222 118.700 -0.042 0.000 2.399 310 N HA 0.188 4.928 4.740 -0.000 0.000 0.250 310 N C 0.029 175.501 175.510 -0.062 0.000 1.272 310 N CA 0.102 53.120 53.050 -0.053 0.000 0.928 310 N CB 0.586 39.045 38.487 -0.048 0.000 1.158 310 N HN 0.736 nan 8.380 nan 0.000 0.463 311 R N 0.202 120.655 120.500 -0.078 0.000 2.674 311 R HA 0.380 4.720 4.340 -0.000 0.000 0.266 311 R C 1.024 177.271 176.300 -0.089 0.000 1.016 311 R CA -0.643 55.403 56.100 -0.090 0.000 1.062 311 R CB 0.741 30.965 30.300 -0.126 0.000 1.142 311 R HN 0.492 nan 8.270 nan 0.000 0.517 312 M N -0.605 118.934 119.600 -0.102 0.000 2.491 312 M HA 0.265 4.745 4.480 -0.000 0.000 0.259 312 M C 0.634 176.854 176.300 -0.134 0.000 1.163 312 M CA 1.082 56.313 55.300 -0.115 0.000 1.109 312 M CB -0.573 31.950 32.600 -0.129 0.000 1.353 312 M HN 0.956 nan 8.290 nan 0.000 0.500 313 G N 2.466 111.179 108.800 -0.144 0.000 2.512 313 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.240 313 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.240 313 G C -2.393 172.368 174.900 -0.231 0.000 1.246 313 G CA -0.101 44.913 45.100 -0.143 0.000 0.919 313 G HN 0.403 nan 8.290 nan 0.000 0.577 314 P HA 0.249 nan 4.420 nan 0.000 0.246 314 P C -0.029 177.159 177.300 -0.187 0.000 1.675 314 P CA 1.457 64.447 63.100 -0.183 0.000 0.908 314 P CB -0.322 31.368 31.700 -0.017 0.000 1.890 315 T N -0.411 113.920 114.554 -0.373 0.000 2.921 315 T HA 0.482 4.832 4.350 -0.000 0.000 0.297 315 T C -0.435 174.051 174.700 -0.357 0.000 1.013 315 T CA -0.481 61.503 62.100 -0.194 0.000 0.990 315 T CB 0.535 69.326 68.868 -0.129 0.000 1.023 315 T HN -0.174 nan 8.240 nan 0.000 0.447 316 F N 2.834 122.708 119.950 -0.126 0.000 2.647 316 F HA 0.358 4.885 4.527 0.000 0.000 0.300 316 F C 2.036 177.737 175.800 -0.165 0.000 1.106 316 F CA -0.490 57.413 58.000 -0.163 0.000 1.313 316 F CB 0.025 38.865 39.000 -0.266 0.000 1.007 316 F HN 0.729 nan 8.300 nan 0.000 0.536 317 G N 0.754 109.560 108.800 0.010 0.000 2.480 317 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.216 317 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.216 317 G C 1.968 176.842 174.900 -0.042 0.000 1.200 317 G CA 1.062 46.149 45.100 -0.022 0.000 0.782 317 G HN 0.398 nan 8.290 nan 0.000 0.554 318 A N 0.752 123.542 122.820 -0.050 0.000 1.873 318 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 318 A C 2.487 180.040 177.584 -0.053 0.000 1.193 318 A CA 2.636 54.640 52.037 -0.055 0.000 0.629 318 A CB -0.478 18.487 19.000 -0.059 0.000 0.826 318 A HN 0.297 nan 8.150 nan 0.000 0.447 319 M N -0.329 119.251 119.600 -0.034 0.000 2.089 319 M HA -0.229 4.251 4.480 -0.000 0.000 0.257 319 M C 2.463 178.744 176.300 -0.032 0.000 1.071 319 M CA 1.888 57.187 55.300 -0.002 0.000 1.096 319 M CB -1.863 30.779 32.600 0.071 0.000 1.330 319 M HN 0.519 nan 8.290 nan 0.000 0.403 320 A N 0.487 123.266 122.820 -0.068 0.000 1.832 320 A HA -0.102 4.218 4.320 -0.000 0.000 0.214 320 A C 2.317 179.664 177.584 -0.395 0.000 1.200 320 A CA 1.379 53.276 52.037 -0.234 0.000 0.610 320 A CB -1.010 17.890 19.000 -0.167 0.000 0.842 320 A HN 0.485 nan 8.150 nan 0.000 0.444 321 L N -0.115 120.953 121.223 -0.257 0.000 2.131 321 L HA -0.151 4.189 4.340 -0.000 0.000 0.210 321 L C 2.850 179.635 176.870 -0.141 0.000 1.092 321 L CA 1.460 56.177 54.840 -0.206 0.000 0.759 321 L CB -0.506 41.486 42.059 -0.110 0.000 0.903 321 L HN 0.552 nan 8.230 nan 0.000 0.435 322 S N 0.251 115.890 115.700 -0.103 0.000 2.402 322 S HA -0.107 4.363 4.470 -0.000 0.000 0.229 322 S C 1.966 176.535 174.600 -0.051 0.000 1.021 322 S CA 1.273 59.439 58.200 -0.057 0.000 0.974 322 S CB -0.236 62.943 63.200 -0.034 0.000 0.800 322 S HN 0.505 nan 8.310 nan 0.000 0.484 323 G N 0.675 109.423 108.800 -0.087 0.000 2.394 323 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.215 323 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.215 323 G C 1.444 176.313 174.900 -0.053 0.000 1.165 323 G CA 0.898 45.964 45.100 -0.057 0.000 0.784 323 G HN 0.466 nan 8.290 nan 0.000 0.535 324 V N 1.039 120.872 119.914 -0.136 0.000 2.407 324 V HA -0.135 3.985 4.120 -0.000 0.000 0.248 324 V C 2.676 178.774 176.094 0.007 0.000 1.055 324 V CA 2.166 64.429 62.300 -0.062 0.000 1.049 324 V CB -0.319 31.433 31.823 -0.119 0.000 0.662 324 V HN 0.338 nan 8.190 nan 0.000 0.455 325 K N 1.218 121.608 120.400 -0.017 0.000 2.097 325 K HA -0.023 4.297 4.320 -0.000 0.000 0.205 325 K C 2.050 178.695 176.600 0.075 0.000 1.050 325 K CA 1.671 57.972 56.287 0.023 0.000 0.938 325 K CB -0.736 31.762 32.500 -0.005 0.000 0.718 325 K HN 0.367 nan 8.250 nan 0.000 0.442 326 A N 0.718 123.566 122.820 0.047 0.000 1.877 326 A HA -0.047 4.273 4.320 -0.000 0.000 0.216 326 A C 2.411 180.040 177.584 0.075 0.000 1.186 326 A CA 2.132 54.203 52.037 0.057 0.000 0.620 326 A CB -1.214 17.811 19.000 0.043 0.000 0.822 326 A HN 0.407 nan 8.150 nan 0.000 0.443 327 A N -1.053 121.813 122.820 0.077 0.000 1.917 327 A HA -0.251 4.069 4.320 -0.000 0.000 0.219 327 A C 2.033 179.675 177.584 0.095 0.000 1.182 327 A CA 2.357 54.441 52.037 0.078 0.000 0.633 327 A CB -0.928 18.123 19.000 0.086 0.000 0.819 327 A HN 0.733 nan 8.150 nan 0.000 0.448 328 H N -0.409 118.673 119.070 0.020 0.000 2.293 328 H HA -0.090 4.466 4.556 -0.000 0.000 0.300 328 H C 2.144 177.489 175.328 0.028 0.000 1.082 328 H CA 1.911 57.972 56.048 0.021 0.000 1.308 328 H CB 0.012 29.785 29.762 0.019 0.000 1.375 328 H HN 0.387 nan 8.280 nan 0.000 0.495 329 E N 0.203 120.468 120.200 0.109 0.000 2.097 329 E HA -0.222 4.128 4.350 -0.000 0.000 0.196 329 E C 2.376 178.994 176.600 0.031 0.000 1.000 329 E CA 1.077 57.509 56.400 0.054 0.000 0.804 329 E CB -0.632 29.108 29.700 0.067 0.000 0.740 329 E HN 0.586 nan 8.360 nan 0.000 0.454 330 A N 0.983 123.831 122.820 0.046 0.000 1.908 330 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 330 A C 2.362 179.992 177.584 0.077 0.000 1.181 330 A CA 1.471 53.551 52.037 0.071 0.000 0.627 330 A CB -0.660 18.377 19.000 0.061 0.000 0.818 330 A HN 0.213 nan 8.150 nan 0.000 0.445 331 I N -1.304 119.260 120.570 -0.010 0.000 2.202 331 I HA -0.232 3.938 4.170 -0.000 0.000 0.242 331 I C 2.683 178.791 176.117 -0.014 0.000 1.091 331 I CA 1.592 62.870 61.300 -0.037 0.000 1.368 331 I CB -0.408 37.513 38.000 -0.132 0.000 1.058 331 I HN 0.395 nan 8.210 nan 0.000 0.410 332 R N 1.013 121.455 120.500 -0.096 0.000 2.115 332 R HA -0.201 4.139 4.340 -0.000 0.000 0.239 332 R C 2.149 178.452 176.300 0.005 0.000 1.133 332 R CA 2.187 58.246 56.100 -0.068 0.000 0.935 332 R CB -0.345 29.910 30.300 -0.074 0.000 0.853 332 R HN 0.173 nan 8.270 nan 0.000 0.433 333 V N 0.914 120.844 119.914 0.027 0.000 3.041 333 V HA -0.132 3.988 4.120 -0.000 0.000 0.260 333 V C 1.795 177.918 176.094 0.047 0.000 1.105 333 V CA 1.061 63.378 62.300 0.029 0.000 1.125 333 V CB -0.656 31.182 31.823 0.025 0.000 0.730 333 V HN 0.313 nan 8.190 nan 0.000 0.479 334 F N 2.123 122.053 119.950 -0.034 0.000 2.043 334 F HA -0.278 4.249 4.527 -0.000 0.000 0.297 334 F C 2.274 178.060 175.800 -0.025 0.000 1.118 334 F CA 2.361 60.345 58.000 -0.027 0.000 1.202 334 F CB -0.357 38.625 39.000 -0.029 0.000 0.965 334 F HN 0.281 nan 8.300 nan 0.000 0.482 335 D N 0.323 120.714 120.400 -0.014 0.000 2.123 335 D HA -0.211 4.429 4.640 -0.000 0.000 0.196 335 D C 2.272 178.461 176.300 -0.185 0.000 0.992 335 D CA 1.584 55.513 54.000 -0.118 0.000 0.833 335 D CB -0.848 39.963 40.800 0.018 0.000 0.954 335 D HN 0.331 nan 8.370 nan 0.000 0.455 336 L N 1.327 122.476 121.223 -0.124 0.000 1.994 336 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 336 L C 2.153 178.930 176.870 -0.156 0.000 1.071 336 L CA 1.718 56.491 54.840 -0.113 0.000 0.745 336 L CB -0.286 41.728 42.059 -0.075 0.000 0.892 336 L HN -0.181 nan 8.230 nan 0.000 0.431 337 R N 0.053 120.440 120.500 -0.189 0.000 2.081 337 R HA -0.153 4.187 4.340 -0.000 0.000 0.235 337 R C 2.234 178.373 176.300 -0.267 0.000 1.131 337 R CA 1.366 57.350 56.100 -0.193 0.000 0.960 337 R CB -0.975 29.230 30.300 -0.159 0.000 0.856 337 R HN 0.332 nan 8.270 nan 0.000 0.436 338 K N 1.319 121.435 120.400 -0.473 0.000 2.032 338 K HA -0.065 4.255 4.320 -0.000 0.000 0.209 338 K C 1.871 178.320 176.600 -0.251 0.000 1.048 338 K CA 1.848 57.840 56.287 -0.492 0.000 0.927 338 K CB -0.526 31.474 32.500 -0.832 0.000 0.712 338 K HN 0.107 nan 8.250 nan 0.000 0.441 339 A N 0.671 123.368 122.820 -0.205 0.000 1.858 339 A HA -0.209 4.111 4.320 -0.000 0.000 0.216 339 A C 2.102 179.629 177.584 -0.095 0.000 1.190 339 A CA 1.871 53.836 52.037 -0.120 0.000 0.617 339 A CB -0.718 18.224 19.000 -0.096 0.000 0.827 339 A HN 0.570 nan 8.150 nan 0.000 0.443 340 Q N -0.615 119.125 119.800 -0.099 0.000 2.291 340 Q HA -0.142 4.198 4.340 -0.000 0.000 0.206 340 Q C 1.848 177.809 176.000 -0.064 0.000 0.976 340 Q CA 1.326 57.085 55.803 -0.073 0.000 0.875 340 Q CB -0.265 28.427 28.738 -0.077 0.000 0.927 340 Q HN 0.802 nan 8.270 nan 0.000 0.450 341 N N -0.128 118.522 118.700 -0.083 0.000 2.368 341 N HA -0.058 4.682 4.740 -0.000 0.000 0.176 341 N C 0.001 175.481 175.510 -0.050 0.000 1.021 341 N CA -0.009 53.003 53.050 -0.064 0.000 0.888 341 N CB 0.545 38.986 38.487 -0.077 0.000 0.995 341 N HN 0.155 nan 8.380 nan 0.000 0.437 342 D N 0.000 120.366 120.400 -0.056 0.000 6.856 342 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 342 D CA 0.000 53.977 54.000 -0.039 0.000 0.868 342 D CB 0.000 40.776 40.800 -0.040 0.000 0.688 342 D HN 0.000 nan 8.370 nan 0.000 0.683