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 3o4z_1_A DATA FIRST_RESID 1 DATA SEQUENCE MVLETLKQGL DSSQIHEALI QLDSYPREPV DLDASMVLIK FVIPVYPSLP DATA SEQUENCE ERSKVILRRL ASKSFTFLCQ IVTFSRTIXX XXGLQEIRIY QEILEDIISF DATA SEQUENCE EPGCLTFYLK ASTTSKADRD SIKALFFGSK LFNVLANRID MAKYLGYLRL DATA SEQUENCE QWKFLLESNE TDPPGFLGEW LVSSFLLNPV LAADMLLGEL FLLKESYFFS DATA SEQUENCE FQKIISASSL IDQKRLIAKF LLPYIQVIVT LENLNDVRKI LRRFDLDKII DATA SEQUENCE SLSVLFEIQS LPLKEVIVRL MSNHSSTKFV SALVSKFADF TDEEVDTKTC DATA SEQUENCE ELLVLFAVHN LNHSQREEIA HDERFLNGVT KHLGSNEREA RERAMFIAKL DATA SEQUENCE LSGGHLKYES DFKINIPNVK XXXXSDDKII DFQSLKXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXREI VKRIVFLKDL MKEYEKXXXS DATA SEQUENCE RKAPLIPLLK QTVKLIRQKA XFQLEVGYYA QGILSSIVCL NNEFDEPLFE DATA SEQUENCE QWRINALTSI LVVLPEKVNG AINILFNSEL SLQQRMSLLS ALGLSARELR DATA SEQUENCE GLDXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX TQNRFRKYAG LFFYPLAHGW LNGIXXXXXX QLFKSHYLTT DATA SEQUENCE LRIIYSCANP VHDFESMTEL MNHIISSAIE EGISLNKG 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.228 176.300 -0.119 0.000 1.140 1 M CA 0.000 55.223 55.300 -0.128 0.000 0.988 1 M CB 0.000 32.556 32.600 -0.074 0.000 1.302 2 V N 2.192 122.026 119.914 -0.133 0.000 2.380 2 V HA -0.297 3.824 4.120 0.001 0.000 0.251 2 V C 2.117 178.142 176.094 -0.116 0.000 1.063 2 V CA 2.122 64.366 62.300 -0.094 0.000 1.055 2 V CB -0.773 31.008 31.823 -0.071 0.000 0.657 2 V HN 0.439 nan 8.190 nan 0.000 0.455 3 L N -0.360 120.779 121.223 -0.140 0.000 2.265 3 L HA -0.190 4.151 4.340 0.001 0.000 0.215 3 L C 2.446 179.225 176.870 -0.152 0.000 1.117 3 L CA 1.416 56.170 54.840 -0.143 0.000 0.782 3 L CB -0.603 41.371 42.059 -0.142 0.000 0.914 3 L HN 0.463 nan 8.230 nan 0.000 0.441 4 E N -0.724 119.395 120.200 -0.135 0.000 2.112 4 E HA -0.106 4.244 4.350 0.001 0.000 0.190 4 E C 2.077 178.584 176.600 -0.155 0.000 0.979 4 E CA 1.364 57.684 56.400 -0.133 0.000 0.814 4 E CB -0.031 29.609 29.700 -0.099 0.000 0.762 4 E HN 0.402 nan 8.360 nan 0.000 0.460 5 T N 1.858 116.331 114.554 -0.135 0.000 2.777 5 T HA -0.062 4.288 4.350 0.001 0.000 0.266 5 T C 1.954 176.549 174.700 -0.175 0.000 1.040 5 T CA 0.730 62.756 62.100 -0.123 0.000 1.141 5 T CB -0.152 68.668 68.868 -0.079 0.000 0.868 5 T HN 0.075 nan 8.240 nan 0.000 0.444 6 L N 0.667 121.765 121.223 -0.208 0.000 2.265 6 L HA -0.051 4.289 4.340 0.001 0.000 0.215 6 L C 2.439 178.941 176.870 -0.614 0.000 1.117 6 L CA 1.101 55.785 54.840 -0.261 0.000 0.782 6 L CB -0.585 41.370 42.059 -0.174 0.000 0.914 6 L HN 0.247 nan 8.230 nan 0.000 0.441 7 K N -0.101 119.860 120.400 -0.732 0.000 2.360 7 K HA -0.169 4.151 4.320 0.001 0.000 0.201 7 K C 1.874 178.038 176.600 -0.727 0.000 1.046 7 K CA 1.004 56.581 56.287 -1.182 0.000 0.945 7 K CB -0.026 32.131 32.500 -0.573 0.000 0.750 7 K HN 0.512 nan 8.250 nan 0.000 0.464 8 Q N -0.683 118.904 119.800 -0.355 0.000 2.396 8 Q HA 0.138 4.479 4.340 0.001 0.000 0.220 8 Q C 0.714 176.695 176.000 -0.031 0.000 0.900 8 Q CA 0.377 56.104 55.803 -0.126 0.000 0.925 8 Q CB 1.317 30.002 28.738 -0.089 0.000 1.065 8 Q HN 0.303 nan 8.270 nan 0.000 0.535 9 G N 0.006 108.780 108.800 -0.044 0.000 2.324 9 G HA2 0.447 4.407 3.960 0.001 0.000 0.293 9 G HA3 0.447 4.407 3.960 0.001 0.000 0.293 9 G C -2.076 172.836 174.900 0.020 0.000 1.297 9 G CA -0.941 44.180 45.100 0.035 0.000 0.853 9 G HN 0.037 nan 8.290 nan 0.000 0.535 10 L N 0.549 121.796 121.223 0.040 0.000 4.338 10 L HA 0.195 4.535 4.340 0.001 0.000 0.261 10 L C -1.228 175.665 176.870 0.037 0.000 1.038 10 L CA -1.041 53.819 54.840 0.033 0.000 1.142 10 L CB 1.798 43.881 42.059 0.040 0.000 1.928 10 L HN 0.842 nan 8.230 nan 0.000 0.545 11 D N 1.752 122.167 120.400 0.025 0.000 2.455 11 D HA 0.022 4.662 4.640 0.001 0.000 0.241 11 D C 1.260 177.578 176.300 0.029 0.000 1.138 11 D CA 0.863 54.876 54.000 0.022 0.000 0.877 11 D CB 1.623 42.428 40.800 0.010 0.000 1.187 11 D HN 0.642 nan 8.370 nan 0.000 0.451 12 S N 1.916 117.633 115.700 0.029 0.000 2.440 12 S HA -0.211 4.260 4.470 0.001 0.000 0.238 12 S C 1.581 176.208 174.600 0.045 0.000 1.010 12 S CA 1.369 59.591 58.200 0.036 0.000 0.972 12 S CB -0.340 62.876 63.200 0.026 0.000 0.774 12 S HN 0.470 nan 8.310 nan 0.000 0.501 13 S N -0.047 115.667 115.700 0.024 0.000 2.556 13 S HA 0.190 4.661 4.470 0.001 0.000 0.216 13 S C 1.666 176.267 174.600 0.002 0.000 0.970 13 S CA 0.095 58.296 58.200 0.002 0.000 0.912 13 S CB -0.081 63.089 63.200 -0.050 0.000 0.790 13 S HN 0.688 nan 8.310 nan 0.000 0.504 14 Q N 1.135 120.949 119.800 0.023 0.000 2.297 14 Q HA 0.217 4.557 4.340 0.001 0.000 0.203 14 Q C 1.787 177.818 176.000 0.052 0.000 0.931 14 Q CA 0.554 56.372 55.803 0.024 0.000 0.885 14 Q CB -0.219 28.527 28.738 0.013 0.000 0.991 14 Q HN 0.624 nan 8.270 nan 0.000 0.498 15 I N 0.451 121.059 120.570 0.063 0.000 2.286 15 I HA -0.272 3.899 4.170 0.001 0.000 0.248 15 I C 2.396 178.574 176.117 0.103 0.000 1.115 15 I CA 1.641 62.982 61.300 0.068 0.000 1.392 15 I CB -0.460 37.578 38.000 0.064 0.000 1.065 15 I HN 0.409 nan 8.210 nan 0.000 0.418 16 H N 1.193 120.261 119.070 -0.004 0.000 2.387 16 H HA -0.153 4.404 4.556 0.001 0.000 0.299 16 H C 2.107 177.433 175.328 -0.003 0.000 1.090 16 H CA 1.705 57.748 56.048 -0.009 0.000 1.332 16 H CB 0.211 29.961 29.762 -0.020 0.000 1.386 16 H HN 0.351 nan 8.280 nan 0.000 0.516 17 E N 0.470 120.828 120.200 0.263 0.000 2.072 17 E HA -0.150 4.201 4.350 0.001 0.000 0.191 17 E C 2.486 179.161 176.600 0.123 0.000 0.985 17 E CA 0.668 57.167 56.400 0.166 0.000 0.801 17 E CB -0.107 29.620 29.700 0.045 0.000 0.750 17 E HN 0.610 nan 8.360 nan 0.000 0.452 18 A N 1.561 124.433 122.820 0.087 0.000 1.908 18 A HA -0.172 4.148 4.320 0.001 0.000 0.218 18 A C 2.241 179.862 177.584 0.062 0.000 1.181 18 A CA 1.116 53.189 52.037 0.060 0.000 0.627 18 A CB -0.690 18.326 19.000 0.027 0.000 0.818 18 A HN 0.118 nan 8.150 nan 0.000 0.445 19 L N -0.585 120.667 121.223 0.048 0.000 2.017 19 L HA -0.199 4.142 4.340 0.001 0.000 0.208 19 L C 2.520 179.408 176.870 0.030 0.000 1.073 19 L CA 1.477 56.327 54.840 0.015 0.000 0.745 19 L CB -0.633 41.403 42.059 -0.039 0.000 0.894 19 L HN 0.382 nan 8.230 nan 0.000 0.432 20 I N -0.362 120.236 120.570 0.046 0.000 2.264 20 I HA -0.358 3.812 4.170 0.001 0.000 0.248 20 I C 2.712 178.868 176.117 0.066 0.000 1.111 20 I CA 1.488 62.822 61.300 0.057 0.000 1.382 20 I CB -0.335 37.742 38.000 0.128 0.000 1.060 20 I HN 0.407 nan 8.210 nan 0.000 0.418 21 Q N 1.168 121.025 119.800 0.094 0.000 2.167 21 Q HA -0.156 4.185 4.340 0.001 0.000 0.202 21 Q C 2.329 178.507 176.000 0.298 0.000 0.970 21 Q CA 1.183 57.062 55.803 0.128 0.000 0.855 21 Q CB 0.052 28.883 28.738 0.155 0.000 0.911 21 Q HN 0.536 nan 8.270 nan 0.000 0.438 22 L N 0.647 122.018 121.223 0.246 0.000 2.093 22 L HA -0.164 4.176 4.340 0.001 0.000 0.208 22 L C 2.307 179.350 176.870 0.288 0.000 1.085 22 L CA 1.233 56.232 54.840 0.265 0.000 0.755 22 L CB -0.512 41.583 42.059 0.060 0.000 0.904 22 L HN 0.341 nan 8.230 nan 0.000 0.435 23 D N -0.007 120.480 120.400 0.144 0.000 2.224 23 D HA -0.134 4.506 4.640 0.001 0.000 0.205 23 D C 2.207 178.541 176.300 0.056 0.000 0.965 23 D CA 1.314 55.364 54.000 0.084 0.000 0.852 23 D CB 0.207 41.029 40.800 0.036 0.000 0.947 23 D HN 0.296 nan 8.370 nan 0.000 0.494 24 S N -1.175 114.526 115.700 0.001 0.000 2.474 24 S HA -0.118 4.352 4.470 0.001 0.000 0.235 24 S C 0.947 175.454 174.600 -0.155 0.000 0.997 24 S CA 0.060 58.194 58.200 -0.112 0.000 0.949 24 S CB -0.700 62.374 63.200 -0.209 0.000 0.766 24 S HN 0.187 nan 8.310 nan 0.000 0.517 25 Y N 3.193 123.486 120.300 -0.012 0.000 2.299 25 Y HA 0.388 4.938 4.550 0.001 0.000 0.335 25 Y C -1.868 174.024 175.900 -0.013 0.000 1.287 25 Y CA -2.285 55.807 58.100 -0.013 0.000 1.424 25 Y CB -0.155 38.294 38.460 -0.018 0.000 1.326 25 Y HN 0.085 nan 8.280 nan 0.000 0.567 26 P HA 0.035 nan 4.420 nan 0.000 0.265 26 P C -0.081 177.263 177.300 0.073 0.000 1.193 26 P CA -0.126 63.025 63.100 0.085 0.000 0.765 26 P CB 1.037 32.779 31.700 0.071 0.000 0.823 27 R N 2.331 122.855 120.500 0.040 0.000 2.103 27 R HA -0.168 4.173 4.340 0.001 0.000 0.234 27 R C 0.997 177.305 176.300 0.013 0.000 1.132 27 R CA 1.383 57.496 56.100 0.023 0.000 0.925 27 R CB -1.016 29.284 30.300 0.000 0.000 0.842 27 R HN 0.680 nan 8.270 nan 0.000 0.430 28 E N -1.350 118.856 120.200 0.011 0.000 3.509 28 E HA -0.239 4.111 4.350 0.001 0.000 0.270 28 E C -2.315 174.290 176.600 0.008 0.000 1.485 28 E CA 1.257 57.660 56.400 0.006 0.000 2.150 28 E CB -1.409 28.288 29.700 -0.005 0.000 2.030 28 E HN 0.399 nan 8.360 nan 0.000 0.478 29 P HA 0.269 nan 4.420 nan 0.000 0.344 29 P C -1.723 175.575 177.300 -0.003 0.000 1.196 29 P CA -0.678 62.432 63.100 0.017 0.000 1.494 29 P CB 1.128 32.862 31.700 0.057 0.000 2.614 30 V N 1.978 121.882 119.914 -0.017 0.000 2.450 30 V HA 0.174 4.294 4.120 0.001 0.000 0.281 30 V C 0.952 177.025 176.094 -0.035 0.000 1.019 30 V CA 0.238 62.487 62.300 -0.085 0.000 1.062 30 V CB -0.557 31.127 31.823 -0.232 0.000 0.979 30 V HN 0.699 nan 8.190 nan 0.000 0.477 31 D N 4.661 125.033 120.400 -0.046 0.000 2.384 31 D HA -0.005 4.635 4.640 0.001 0.000 0.244 31 D C 1.157 177.441 176.300 -0.026 0.000 1.251 31 D CA -0.614 53.374 54.000 -0.020 0.000 0.961 31 D CB 1.036 41.820 40.800 -0.026 0.000 1.116 31 D HN 0.275 nan 8.370 nan 0.000 0.484 32 L N 0.290 121.509 121.223 -0.006 0.000 2.079 32 L HA -0.158 4.182 4.340 0.001 0.000 0.210 32 L C 1.507 178.366 176.870 -0.020 0.000 1.081 32 L CA 1.916 56.753 54.840 -0.005 0.000 0.752 32 L CB -0.830 41.230 42.059 0.002 0.000 0.896 32 L HN 0.345 nan 8.230 nan 0.000 0.433 33 D N -0.180 120.204 120.400 -0.027 0.000 2.097 33 D HA -0.109 4.531 4.640 0.001 0.000 0.197 33 D C 2.180 178.448 176.300 -0.053 0.000 0.984 33 D CA 1.563 55.544 54.000 -0.031 0.000 0.826 33 D CB -0.077 40.705 40.800 -0.030 0.000 0.973 33 D HN 0.504 nan 8.370 nan 0.000 0.460 34 A N 0.706 123.476 122.820 -0.083 0.000 1.930 34 A HA -0.154 4.166 4.320 0.001 0.000 0.217 34 A C 2.342 179.819 177.584 -0.178 0.000 1.175 34 A CA 2.310 54.271 52.037 -0.127 0.000 0.627 34 A CB -0.611 18.299 19.000 -0.150 0.000 0.815 34 A HN 0.329 nan 8.150 nan 0.000 0.443 35 S N -0.766 114.815 115.700 -0.198 0.000 2.368 35 S HA -0.171 4.299 4.470 0.001 0.000 0.225 35 S C 1.929 176.495 174.600 -0.057 0.000 1.030 35 S CA 1.668 59.716 58.200 -0.254 0.000 0.999 35 S CB -0.477 62.695 63.200 -0.047 0.000 0.844 35 S HN 0.311 nan 8.310 nan 0.000 0.459 36 M N 1.703 121.285 119.600 -0.030 0.000 2.149 36 M HA -0.017 4.464 4.480 0.001 0.000 0.261 36 M C 2.304 178.604 176.300 0.000 0.000 1.064 36 M CA 1.076 56.360 55.300 -0.025 0.000 1.102 36 M CB -1.499 31.092 32.600 -0.015 0.000 1.369 36 M HN 0.315 nan 8.290 nan 0.000 0.408 37 V N -0.117 119.812 119.914 0.025 0.000 2.358 37 V HA -0.235 3.885 4.120 0.001 0.000 0.246 37 V C 2.487 178.676 176.094 0.158 0.000 1.047 37 V CA 1.219 63.596 62.300 0.129 0.000 1.035 37 V CB -0.832 30.994 31.823 0.006 0.000 0.658 37 V HN 0.374 nan 8.190 nan 0.000 0.452 38 L N -0.467 120.760 121.223 0.006 0.000 2.017 38 L HA -0.167 4.173 4.340 0.001 0.000 0.208 38 L C 2.456 179.373 176.870 0.078 0.000 1.073 38 L CA 1.774 56.616 54.840 0.004 0.000 0.745 38 L CB -0.537 41.407 42.059 -0.191 0.000 0.894 38 L HN 0.240 nan 8.230 nan 0.000 0.432 39 I N -0.225 120.390 120.570 0.074 0.000 2.163 39 I HA -0.323 3.848 4.170 0.001 0.000 0.243 39 I C 2.579 178.628 176.117 -0.115 0.000 1.085 39 I CA 1.544 62.851 61.300 0.011 0.000 1.347 39 I CB -0.343 37.592 38.000 -0.108 0.000 1.044 39 I HN 0.232 nan 8.210 nan 0.000 0.408 40 K N 0.044 120.317 120.400 -0.212 0.000 2.097 40 K HA -0.098 4.222 4.320 0.001 0.000 0.205 40 K C 1.801 178.159 176.600 -0.403 0.000 1.050 40 K CA 1.498 57.559 56.287 -0.378 0.000 0.938 40 K CB -0.005 32.197 32.500 -0.497 0.000 0.718 40 K HN 0.211 nan 8.250 nan 0.000 0.442 41 F N -1.181 118.751 119.950 -0.029 0.000 2.653 41 F HA 0.018 4.546 4.527 0.001 0.000 0.288 41 F C 1.824 177.623 175.800 -0.002 0.000 1.121 41 F CA -0.055 57.939 58.000 -0.009 0.000 1.384 41 F CB 0.246 39.235 39.000 -0.019 0.000 1.115 41 F HN -0.255 nan 8.300 nan 0.000 0.599 42 V N 0.127 120.130 119.914 0.149 0.000 2.607 42 V HA -0.095 4.026 4.120 0.001 0.000 0.228 42 V C 2.179 178.295 176.094 0.036 0.000 1.106 42 V CA 0.814 63.169 62.300 0.092 0.000 1.141 42 V CB -0.555 31.319 31.823 0.085 0.000 0.808 42 V HN 0.110 nan 8.190 nan 0.000 0.501 43 I N 0.910 121.476 120.570 -0.007 0.000 2.247 43 I HA -0.331 3.839 4.170 0.001 0.000 0.249 43 I C -0.420 175.596 176.117 -0.168 0.000 1.027 43 I CA 2.131 63.346 61.300 -0.143 0.000 1.316 43 I CB -1.907 35.834 38.000 -0.432 0.000 1.007 43 I HN 0.364 nan 8.210 nan 0.000 0.430 44 P HA -0.177 nan 4.420 nan 0.000 0.218 44 P C 1.577 178.884 177.300 0.011 0.000 1.146 44 P CA 1.825 64.903 63.100 -0.037 0.000 0.820 44 P CB -0.161 31.561 31.700 0.037 0.000 0.778 45 V N -6.142 113.790 119.914 0.029 0.000 3.644 45 V HA 0.044 4.165 4.120 0.001 0.000 0.267 45 V C 2.099 178.220 176.094 0.045 0.000 1.277 45 V CA -0.031 62.291 62.300 0.037 0.000 1.096 45 V CB -1.712 30.131 31.823 0.034 0.000 0.828 45 V HN -0.032 nan 8.190 nan 0.000 0.446 46 Y N 3.515 123.776 120.300 -0.064 0.000 2.226 46 Y HA -0.307 4.243 4.550 0.001 0.000 0.259 46 Y C -0.082 175.792 175.900 -0.044 0.000 1.310 46 Y CA 3.570 61.632 58.100 -0.064 0.000 1.067 46 Y CB -1.800 36.601 38.460 -0.099 0.000 0.876 46 Y HN 0.363 nan 8.280 nan 0.000 0.519 47 P HA -0.164 nan 4.420 nan 0.000 0.218 47 P C 1.698 178.916 177.300 -0.137 0.000 1.149 47 P CA 2.396 65.438 63.100 -0.097 0.000 0.817 47 P CB -0.382 31.356 31.700 0.064 0.000 0.785 48 S N -0.319 115.331 115.700 -0.083 0.000 2.387 48 S HA -0.039 4.431 4.470 0.001 0.000 0.226 48 S C 1.235 175.788 174.600 -0.079 0.000 1.026 48 S CA 0.160 58.325 58.200 -0.057 0.000 0.972 48 S CB -1.449 61.740 63.200 -0.017 0.000 0.814 48 S HN 0.032 nan 8.310 nan 0.000 0.477 49 L N 3.358 124.507 121.223 -0.123 0.000 2.483 49 L HA 0.229 4.570 4.340 0.001 0.000 0.276 49 L C -1.960 174.837 176.870 -0.123 0.000 1.213 49 L CA -1.720 53.059 54.840 -0.102 0.000 0.843 49 L CB -0.230 41.738 42.059 -0.152 0.000 1.107 49 L HN 0.169 nan 8.230 nan 0.000 0.487 50 P HA -0.029 nan 4.420 nan 0.000 0.269 50 P C 0.231 177.461 177.300 -0.117 0.000 1.215 50 P CA -0.211 62.878 63.100 -0.018 0.000 0.780 50 P CB 0.689 32.474 31.700 0.141 0.000 0.898 51 E N 1.333 121.468 120.200 -0.109 0.000 2.209 51 E HA -0.207 4.144 4.350 0.001 0.000 0.196 51 E C 1.848 178.367 176.600 -0.137 0.000 0.993 51 E CA 1.029 57.342 56.400 -0.146 0.000 0.819 51 E CB -0.126 29.506 29.700 -0.115 0.000 0.745 51 E HN 0.415 nan 8.360 nan 0.000 0.477 52 R N -0.072 120.366 120.500 -0.104 0.000 2.115 52 R HA -0.035 4.305 4.340 0.001 0.000 0.230 52 R C 2.276 178.462 176.300 -0.190 0.000 1.111 52 R CA 1.104 57.141 56.100 -0.105 0.000 0.976 52 R CB -0.051 30.225 30.300 -0.040 0.000 0.870 52 R HN -0.033 nan 8.270 nan 0.000 0.445 53 S N 0.062 115.578 115.700 -0.306 0.000 2.439 53 S HA 0.028 4.498 4.470 0.001 0.000 0.224 53 S C 1.481 175.967 174.600 -0.190 0.000 1.029 53 S CA 0.589 58.570 58.200 -0.366 0.000 0.946 53 S CB 0.217 63.074 63.200 -0.572 0.000 0.797 53 S HN 0.296 nan 8.310 nan 0.000 0.504 54 K N 0.791 121.070 120.400 -0.201 0.000 2.097 54 K HA -0.023 4.297 4.320 0.001 0.000 0.205 54 K C 1.918 178.513 176.600 -0.008 0.000 1.050 54 K CA 1.406 57.612 56.287 -0.135 0.000 0.938 54 K CB -0.294 32.009 32.500 -0.329 0.000 0.718 54 K HN 0.246 nan 8.250 nan 0.000 0.442 55 V N 2.646 122.520 119.914 -0.066 0.000 2.358 55 V HA -0.214 3.907 4.120 0.001 0.000 0.246 55 V C 2.289 178.393 176.094 0.017 0.000 1.047 55 V CA 1.763 64.046 62.300 -0.028 0.000 1.035 55 V CB -0.727 31.067 31.823 -0.048 0.000 0.658 55 V HN 0.391 nan 8.190 nan 0.000 0.452 56 I N -2.489 118.078 120.570 -0.004 0.000 2.761 56 I HA -0.051 4.119 4.170 0.001 0.000 0.261 56 I C 2.265 178.414 176.117 0.053 0.000 1.198 56 I CA 1.212 62.522 61.300 0.016 0.000 1.482 56 I CB -0.272 37.720 38.000 -0.012 0.000 1.100 56 I HN 0.210 nan 8.210 nan 0.000 0.445 57 L N 1.280 122.546 121.223 0.072 0.000 2.044 57 L HA -0.072 4.268 4.340 0.001 0.000 0.205 57 L C 3.004 179.995 176.870 0.203 0.000 1.075 57 L CA 1.328 56.256 54.840 0.146 0.000 0.747 57 L CB -0.262 41.907 42.059 0.183 0.000 0.903 57 L HN 0.234 nan 8.230 nan 0.000 0.435 58 R N -0.545 120.055 120.500 0.167 0.000 2.096 58 R HA -0.149 4.192 4.340 0.001 0.000 0.235 58 R C 2.242 178.636 176.300 0.157 0.000 1.127 58 R CA 1.053 57.240 56.100 0.146 0.000 0.968 58 R CB -0.334 30.047 30.300 0.134 0.000 0.861 58 R HN 0.404 nan 8.270 nan 0.000 0.440 59 R N 0.786 121.366 120.500 0.134 0.000 2.120 59 R HA -0.079 4.262 4.340 0.001 0.000 0.234 59 R C 2.377 178.763 176.300 0.143 0.000 1.123 59 R CA 1.036 57.209 56.100 0.121 0.000 0.975 59 R CB -0.424 29.921 30.300 0.074 0.000 0.866 59 R HN 0.261 nan 8.270 nan 0.000 0.446 60 L N 0.187 121.514 121.223 0.173 0.000 2.046 60 L HA -0.176 4.165 4.340 0.001 0.000 0.208 60 L C 2.713 179.831 176.870 0.413 0.000 1.077 60 L CA 1.336 56.302 54.840 0.210 0.000 0.747 60 L CB -0.642 41.498 42.059 0.135 0.000 0.896 60 L HN 0.222 nan 8.230 nan 0.000 0.432 61 A N -0.646 122.463 122.820 0.481 0.000 1.902 61 A HA -0.197 4.124 4.320 0.001 0.000 0.217 61 A C 2.484 180.288 177.584 0.365 0.000 1.181 61 A CA 1.933 54.182 52.037 0.353 0.000 0.623 61 A CB -0.660 18.334 19.000 -0.010 0.000 0.818 61 A HN 0.365 nan 8.150 nan 0.000 0.443 62 S N -0.473 115.393 115.700 0.278 0.000 2.392 62 S HA -0.184 4.286 4.470 0.001 0.000 0.232 62 S C 1.768 176.551 174.600 0.306 0.000 1.041 62 S CA 2.109 60.475 58.200 0.278 0.000 1.026 62 S CB -0.160 63.199 63.200 0.265 0.000 0.845 62 S HN 0.547 nan 8.310 nan 0.000 0.465 63 K N -0.181 120.375 120.400 0.259 0.000 2.358 63 K HA 0.340 4.661 4.320 0.001 0.000 0.200 63 K C 1.897 178.706 176.600 0.349 0.000 1.030 63 K CA 0.078 56.480 56.287 0.193 0.000 1.097 63 K CB 0.277 32.783 32.500 0.010 0.000 0.862 63 K HN 0.153 nan 8.250 nan 0.000 0.534 64 S N -1.076 114.902 115.700 0.463 0.000 2.438 64 S HA 0.136 4.606 4.470 0.001 0.000 0.220 64 S C 1.072 175.914 174.600 0.403 0.000 1.045 64 S CA 0.760 59.190 58.200 0.384 0.000 0.940 64 S CB -0.223 63.197 63.200 0.367 0.000 0.863 64 S HN 0.353 nan 8.310 nan 0.000 0.539 65 F N 0.462 120.466 119.950 0.090 0.000 2.551 65 F HA -0.390 4.137 4.527 0.001 0.000 0.704 65 F C 1.628 177.328 175.800 -0.167 0.000 0.486 65 F CA 2.495 60.218 58.000 -0.461 0.000 0.741 65 F CB -1.671 36.826 39.000 -0.839 0.000 1.617 65 F HN 0.311 nan 8.300 nan 0.000 0.268 66 T N 1.070 115.568 114.554 -0.094 0.000 2.802 66 T HA -0.287 4.064 4.350 0.001 0.000 0.269 66 T C 1.528 176.182 174.700 -0.075 0.000 1.062 66 T CA 2.160 64.173 62.100 -0.145 0.000 1.133 66 T CB -0.761 68.140 68.868 0.054 0.000 0.852 66 T HN 0.497 nan 8.240 nan 0.000 0.485 67 F N 0.147 120.006 119.950 -0.151 0.000 2.053 67 F HA 0.058 4.585 4.527 0.001 0.000 0.292 67 F C 2.202 177.898 175.800 -0.173 0.000 1.125 67 F CA 0.864 58.797 58.000 -0.113 0.000 1.193 67 F CB -0.268 38.715 39.000 -0.028 0.000 0.996 67 F HN 0.111 nan 8.300 nan 0.000 0.470 68 L N 0.338 121.345 121.223 -0.361 0.000 1.978 68 L HA -0.376 3.964 4.340 0.001 0.000 0.218 68 L C 2.853 179.442 176.870 -0.468 0.000 1.075 68 L CA 1.954 56.502 54.840 -0.487 0.000 0.767 68 L CB -0.798 41.051 42.059 -0.349 0.000 0.890 68 L HN 0.548 nan 8.230 nan 0.000 0.434 69 C N -0.431 118.477 119.300 -0.653 0.000 2.369 69 C HA -0.315 4.146 4.460 0.001 0.000 0.273 69 C C 2.832 177.638 174.990 -0.307 0.000 1.172 69 C CA 1.921 60.586 59.018 -0.588 0.000 1.791 69 C CB -0.720 26.521 27.740 -0.831 0.000 2.086 69 C HN 0.628 nan 8.230 nan 0.000 0.459 70 Q N 0.154 119.824 119.800 -0.217 0.000 2.079 70 Q HA 0.016 4.357 4.340 0.001 0.000 0.200 70 Q C 1.913 177.894 176.000 -0.032 0.000 0.974 70 Q CA 1.787 57.544 55.803 -0.077 0.000 0.840 70 Q CB -0.366 28.378 28.738 0.010 0.000 0.898 70 Q HN 0.777 nan 8.270 nan 0.000 0.430 71 I N -0.909 119.599 120.570 -0.103 0.000 2.335 71 I HA -0.252 3.918 4.170 0.001 0.000 0.251 71 I C 1.937 178.049 176.117 -0.009 0.000 1.129 71 I CA 0.681 61.958 61.300 -0.039 0.000 1.402 71 I CB -0.397 37.462 38.000 -0.234 0.000 1.069 71 I HN 0.018 nan 8.210 nan 0.000 0.424 72 V N 1.114 120.957 119.914 -0.117 0.000 2.255 72 V HA -0.231 3.889 4.120 0.001 0.000 0.243 72 V C 2.780 178.816 176.094 -0.097 0.000 1.038 72 V CA 2.529 64.751 62.300 -0.130 0.000 1.008 72 V CB -0.893 30.811 31.823 -0.198 0.000 0.645 72 V HN 0.621 nan 8.190 nan 0.000 0.449 73 T N -2.054 112.450 114.554 -0.084 0.000 2.929 73 T HA -0.226 4.124 4.350 0.001 0.000 0.271 73 T C 1.753 176.434 174.700 -0.032 0.000 1.085 73 T CA 1.644 63.705 62.100 -0.065 0.000 1.125 73 T CB -0.592 68.243 68.868 -0.056 0.000 0.874 73 T HN 0.417 nan 8.240 nan 0.000 0.494 74 F N 1.651 121.511 119.950 -0.149 0.000 2.367 74 F HA 0.136 4.664 4.527 0.001 0.000 0.298 74 F C 2.376 178.013 175.800 -0.272 0.000 1.094 74 F CA 0.613 58.502 58.000 -0.185 0.000 1.409 74 F CB 0.021 38.924 39.000 -0.161 0.000 1.064 74 F HN 0.113 nan 8.300 nan 0.000 0.528 75 S N 0.817 116.385 115.700 -0.221 0.000 2.368 75 S HA -0.183 4.287 4.470 0.001 0.000 0.224 75 S C 1.860 176.271 174.600 -0.316 0.000 1.029 75 S CA 1.474 59.484 58.200 -0.317 0.000 0.988 75 S CB -0.289 62.817 63.200 -0.158 0.000 0.838 75 S HN 0.536 nan 8.310 nan 0.000 0.462 76 R N 1.841 122.197 120.500 -0.239 0.000 2.153 76 R HA 0.011 4.351 4.340 0.001 0.000 0.218 76 R C 2.119 178.282 176.300 -0.227 0.000 1.072 76 R CA 1.622 57.599 56.100 -0.204 0.000 0.990 76 R CB -1.403 28.805 30.300 -0.152 0.000 0.889 76 R HN 0.433 nan 8.270 nan 0.000 0.452 77 T N 0.055 114.441 114.554 -0.279 0.000 2.595 77 T HA -0.095 4.256 4.350 0.001 0.000 0.264 77 T C 1.364 175.859 174.700 -0.341 0.000 1.058 77 T CA 1.001 62.928 62.100 -0.288 0.000 1.166 77 T CB -0.532 68.147 68.868 -0.314 0.000 0.863 77 T HN 0.164 nan 8.240 nan 0.000 0.415 84 L N 0.440 121.648 121.223 -0.026 0.000 2.592 84 L HA 0.109 4.450 4.340 0.001 0.000 0.227 84 L C 2.660 179.526 176.870 -0.008 0.000 1.127 84 L CA 0.198 55.021 54.840 -0.028 0.000 0.884 84 L CB -0.135 41.907 42.059 -0.029 0.000 1.065 84 L HN 0.611 nan 8.230 nan 0.000 0.457 85 Q N 0.742 120.544 119.800 0.005 0.000 2.077 85 Q HA -0.253 4.088 4.340 0.001 0.000 0.206 85 Q C 1.839 177.874 176.000 0.057 0.000 0.989 85 Q CA 1.908 57.727 55.803 0.027 0.000 0.853 85 Q CB -0.084 28.669 28.738 0.026 0.000 0.907 85 Q HN 0.575 nan 8.270 nan 0.000 0.418 86 E N 0.403 120.640 120.200 0.061 0.000 2.077 86 E HA -0.170 4.180 4.350 0.001 0.000 0.193 86 E C 1.984 178.703 176.600 0.199 0.000 0.989 86 E CA 0.983 57.467 56.400 0.139 0.000 0.800 86 E CB -0.126 29.630 29.700 0.094 0.000 0.746 86 E HN 0.389 nan 8.360 nan 0.000 0.452 87 I N 0.738 121.338 120.570 0.050 0.000 2.394 87 I HA -0.214 3.956 4.170 0.001 0.000 0.251 87 I C 2.354 178.521 176.117 0.082 0.000 1.136 87 I CA 0.883 62.196 61.300 0.021 0.000 1.425 87 I CB -0.208 37.743 38.000 -0.082 0.000 1.079 87 I HN -0.001 nan 8.210 nan 0.000 0.425 88 R N 0.713 121.250 120.500 0.062 0.000 2.148 88 R HA -0.051 4.289 4.340 0.001 0.000 0.227 88 R C 2.232 178.574 176.300 0.070 0.000 1.103 88 R CA 1.141 57.270 56.100 0.049 0.000 0.983 88 R CB -0.225 30.095 30.300 0.033 0.000 0.874 88 R HN 0.393 nan 8.270 nan 0.000 0.451 89 I N -0.815 119.820 120.570 0.109 0.000 2.193 89 I HA -0.253 3.918 4.170 0.001 0.000 0.240 89 I C 1.694 177.813 176.117 0.004 0.000 1.084 89 I CA 1.338 62.680 61.300 0.069 0.000 1.365 89 I CB -0.499 37.542 38.000 0.069 0.000 1.064 89 I HN 0.033 nan 8.210 nan 0.000 0.410 90 Y N 1.505 121.790 120.300 -0.024 0.000 2.207 90 Y HA -0.260 4.290 4.550 0.001 0.000 0.287 90 Y C 2.818 178.653 175.900 -0.108 0.000 1.156 90 Y CA 1.464 59.528 58.100 -0.061 0.000 1.182 90 Y CB -0.679 37.774 38.460 -0.012 0.000 0.979 90 Y HN 0.202 nan 8.280 nan 0.000 0.521 91 Q N -0.079 119.763 119.800 0.070 0.000 2.061 91 Q HA -0.241 4.099 4.340 0.001 0.000 0.204 91 Q C 2.173 178.145 176.000 -0.046 0.000 0.984 91 Q CA 1.715 57.512 55.803 -0.010 0.000 0.846 91 Q CB -0.246 28.486 28.738 -0.010 0.000 0.902 91 Q HN 0.561 nan 8.270 nan 0.000 0.421 92 E N 0.625 120.804 120.200 -0.035 0.000 2.035 92 E HA -0.253 4.098 4.350 0.001 0.000 0.204 92 E C 2.029 178.535 176.600 -0.158 0.000 1.025 92 E CA 1.351 57.731 56.400 -0.033 0.000 0.835 92 E CB -0.289 29.429 29.700 0.030 0.000 0.764 92 E HN 0.358 nan 8.360 nan 0.000 0.457 93 I N 0.938 121.269 120.570 -0.398 0.000 2.151 93 I HA -0.328 3.842 4.170 0.001 0.000 0.243 93 I C 2.381 178.295 176.117 -0.340 0.000 1.080 93 I CA 1.085 61.979 61.300 -0.677 0.000 1.339 93 I CB -0.010 37.506 38.000 -0.806 0.000 1.039 93 I HN 0.144 nan 8.210 nan 0.000 0.409 94 L N 0.415 121.497 121.223 -0.234 0.000 1.989 94 L HA -0.291 4.049 4.340 0.001 0.000 0.211 94 L C 2.580 179.355 176.870 -0.158 0.000 1.071 94 L CA 2.106 56.837 54.840 -0.182 0.000 0.749 94 L CB -0.694 41.281 42.059 -0.140 0.000 0.890 94 L HN 0.364 nan 8.230 nan 0.000 0.431 95 E N 0.064 120.188 120.200 -0.128 0.000 2.077 95 E HA -0.254 4.096 4.350 0.001 0.000 0.193 95 E C 1.670 178.153 176.600 -0.194 0.000 0.989 95 E CA 1.573 57.875 56.400 -0.163 0.000 0.800 95 E CB 0.086 29.744 29.700 -0.070 0.000 0.746 95 E HN 0.402 nan 8.360 nan 0.000 0.452 96 D N 0.471 120.861 120.400 -0.017 0.000 2.178 96 D HA -0.151 4.489 4.640 0.001 0.000 0.201 96 D C 1.955 178.378 176.300 0.205 0.000 0.980 96 D CA 0.864 55.019 54.000 0.258 0.000 0.842 96 D CB -0.152 40.907 40.800 0.432 0.000 0.948 96 D HN 0.335 nan 8.370 nan 0.000 0.472 97 I N 1.188 121.762 120.570 0.007 0.000 2.058 97 I HA -0.262 3.908 4.170 0.001 0.000 0.235 97 I C 2.476 178.568 176.117 -0.041 0.000 1.053 97 I CA 1.099 62.398 61.300 -0.001 0.000 1.313 97 I CB -0.439 37.517 38.000 -0.075 0.000 1.039 97 I HN 0.012 nan 8.210 nan 0.000 0.396 98 I N -2.032 118.449 120.570 -0.148 0.000 2.614 98 I HA -0.177 3.994 4.170 0.001 0.000 0.258 98 I C 2.561 178.474 176.117 -0.340 0.000 1.189 98 I CA 1.243 62.424 61.300 -0.199 0.000 1.462 98 I CB -0.476 37.390 38.000 -0.224 0.000 1.092 98 I HN 0.141 nan 8.210 nan 0.000 0.442 99 S N 1.737 117.141 115.700 -0.493 0.000 2.329 99 S HA -0.030 4.441 4.470 0.001 0.000 0.215 99 S C 1.775 176.163 174.600 -0.353 0.000 1.031 99 S CA 1.337 59.202 58.200 -0.559 0.000 0.985 99 S CB -0.434 62.319 63.200 -0.747 0.000 0.917 99 S HN 0.534 nan 8.310 nan 0.000 0.441 100 F N 1.122 121.059 119.950 -0.021 0.000 2.416 100 F HA 0.319 4.846 4.527 0.001 0.000 0.296 100 F C 1.097 176.906 175.800 0.015 0.000 1.099 100 F CA 0.299 58.314 58.000 0.025 0.000 1.427 100 F CB 0.177 39.202 39.000 0.042 0.000 1.079 100 F HN 0.058 nan 8.300 nan 0.000 0.536 101 E N 1.849 122.129 120.200 0.134 0.000 2.167 101 E HA 0.165 4.516 4.350 0.001 0.000 0.247 101 E C -1.957 174.562 176.600 -0.136 0.000 0.961 101 E CA -1.671 54.749 56.400 0.033 0.000 0.797 101 E CB 0.615 30.358 29.700 0.072 0.000 1.182 101 E HN 0.122 nan 8.360 nan 0.000 0.437 102 P HA -0.012 nan 4.420 nan 0.000 0.242 102 P C 1.204 178.060 177.300 -0.741 0.000 1.197 102 P CA 0.364 63.309 63.100 -0.257 0.000 0.765 102 P CB 0.350 32.041 31.700 -0.016 0.000 0.936 103 G N -0.304 107.766 108.800 -1.217 0.000 2.430 103 G HA2 -0.187 3.773 3.960 0.001 0.000 0.216 103 G HA3 -0.187 3.773 3.960 0.001 0.000 0.216 103 G C 1.506 175.345 174.900 -1.768 0.000 1.146 103 G CA 0.404 44.087 45.100 -2.362 0.000 0.793 103 G HN 0.197 nan 8.290 nan 0.000 0.537 104 C N 0.372 119.100 119.300 -0.952 0.000 2.294 104 C HA -0.240 4.220 4.460 0.001 0.000 0.265 104 C C 2.689 177.087 174.990 -0.987 0.000 1.115 104 C CA 1.126 59.666 59.018 -0.798 0.000 1.809 104 C CB -1.312 26.308 27.740 -0.200 0.000 2.010 104 C HN 0.463 nan 8.230 nan 0.000 0.425 105 L N 0.626 121.430 121.223 -0.697 0.000 1.990 105 L HA -0.153 4.187 4.340 0.001 0.000 0.213 105 L C 2.765 179.415 176.870 -0.366 0.000 1.072 105 L CA 2.794 57.261 54.840 -0.622 0.000 0.755 105 L CB -1.168 40.401 42.059 -0.817 0.000 0.889 105 L HN 0.489 nan 8.230 nan 0.000 0.432 106 T N -1.353 112.939 114.554 -0.436 0.000 2.833 106 T HA -0.179 4.172 4.350 0.001 0.000 0.269 106 T C 1.777 176.438 174.700 -0.065 0.000 1.054 106 T CA 1.581 63.560 62.100 -0.200 0.000 1.135 106 T CB -0.495 68.324 68.868 -0.082 0.000 0.869 106 T HN 0.417 nan 8.240 nan 0.000 0.466 107 F N -0.269 119.535 119.950 -0.243 0.000 2.075 107 F HA -0.063 4.464 4.527 0.001 0.000 0.297 107 F C 2.211 177.989 175.800 -0.036 0.000 1.113 107 F CA 1.156 59.049 58.000 -0.179 0.000 1.218 107 F CB -0.498 38.316 39.000 -0.309 0.000 0.984 107 F HN 0.236 nan 8.300 nan 0.000 0.472 108 Y N 0.045 120.480 120.300 0.225 0.000 2.274 108 Y HA -0.235 4.315 4.550 0.001 0.000 0.290 108 Y C 2.495 178.482 175.900 0.146 0.000 1.145 108 Y CA 0.209 58.392 58.100 0.139 0.000 1.203 108 Y CB -0.423 38.061 38.460 0.041 0.000 0.984 108 Y HN 0.108 nan 8.280 nan 0.000 0.533 109 L N 0.701 122.108 121.223 0.307 0.000 1.990 109 L HA -0.324 4.017 4.340 0.001 0.000 0.213 109 L C 2.184 179.184 176.870 0.216 0.000 1.072 109 L CA 1.907 56.911 54.840 0.273 0.000 0.755 109 L CB -0.280 41.874 42.059 0.159 0.000 0.889 109 L HN 0.297 nan 8.230 nan 0.000 0.432 110 K N -0.632 119.883 120.400 0.192 0.000 2.031 110 K HA -0.090 4.230 4.320 0.001 0.000 0.205 110 K C 2.049 178.739 176.600 0.151 0.000 1.049 110 K CA 1.270 57.653 56.287 0.159 0.000 0.939 110 K CB -0.254 32.338 32.500 0.153 0.000 0.717 110 K HN 0.374 nan 8.250 nan 0.000 0.438 111 A N 1.769 124.697 122.820 0.180 0.000 1.854 111 A HA -0.081 4.239 4.320 0.001 0.000 0.214 111 A C 1.850 179.515 177.584 0.134 0.000 1.192 111 A CA 1.634 53.767 52.037 0.161 0.000 0.611 111 A CB -0.259 18.865 19.000 0.206 0.000 0.832 111 A HN 0.338 nan 8.150 nan 0.000 0.442 112 S N -1.350 114.429 115.700 0.133 0.000 2.484 112 S HA 0.303 4.774 4.470 0.001 0.000 0.242 112 S C 0.032 174.642 174.600 0.016 0.000 1.158 112 S CA 0.140 58.372 58.200 0.053 0.000 1.162 112 S CB -0.024 63.150 63.200 -0.042 0.000 0.850 112 S HN 0.194 nan 8.310 nan 0.000 0.477 113 T N 1.049 115.626 114.554 0.040 0.000 3.248 113 T HA 0.169 4.519 4.350 0.001 0.000 0.271 113 T C 1.007 175.659 174.700 -0.079 0.000 1.005 113 T CA -0.148 61.924 62.100 -0.046 0.000 0.902 113 T CB 0.158 69.050 68.868 0.039 0.000 1.102 113 T HN 0.421 nan 8.240 nan 0.000 0.548 114 T N 2.359 116.897 114.554 -0.027 0.000 3.085 114 T HA 0.088 4.438 4.350 0.001 0.000 0.263 114 T C 0.966 175.645 174.700 -0.035 0.000 1.127 114 T CA 0.301 62.392 62.100 -0.015 0.000 1.103 114 T CB 0.038 68.914 68.868 0.014 0.000 0.921 114 T HN 0.576 nan 8.240 nan 0.000 0.510 115 S N -0.638 115.025 115.700 -0.061 0.000 2.570 115 S HA 0.488 4.959 4.470 0.001 0.000 0.270 115 S C 0.339 174.887 174.600 -0.086 0.000 1.149 115 S CA -1.060 57.109 58.200 -0.052 0.000 0.837 115 S CB 2.306 65.498 63.200 -0.013 0.000 1.124 115 S HN -0.002 nan 8.310 nan 0.000 0.465 116 K N 0.374 120.737 120.400 -0.062 0.000 2.148 116 K HA -0.003 4.317 4.320 0.001 0.000 0.204 116 K C 2.040 178.639 176.600 -0.003 0.000 1.050 116 K CA 1.280 57.536 56.287 -0.052 0.000 0.942 116 K CB -0.690 31.801 32.500 -0.014 0.000 0.724 116 K HN 0.725 nan 8.250 nan 0.000 0.446 117 A N 1.731 124.558 122.820 0.011 0.000 1.877 117 A HA -0.196 4.124 4.320 0.001 0.000 0.216 117 A C 1.648 179.265 177.584 0.054 0.000 1.186 117 A CA 1.974 54.034 52.037 0.038 0.000 0.620 117 A CB -0.496 18.526 19.000 0.037 0.000 0.822 117 A HN 0.357 nan 8.150 nan 0.000 0.443 118 D N -0.595 119.826 120.400 0.035 0.000 2.117 118 D HA -0.103 4.538 4.640 0.001 0.000 0.198 118 D C 2.217 178.523 176.300 0.011 0.000 0.982 118 D CA 1.096 55.118 54.000 0.036 0.000 0.828 118 D CB -0.356 40.447 40.800 0.006 0.000 0.967 118 D HN 0.432 nan 8.370 nan 0.000 0.464 119 R N 0.566 121.075 120.500 0.014 0.000 2.083 119 R HA -0.114 4.226 4.340 0.001 0.000 0.237 119 R C 1.768 178.224 176.300 0.260 0.000 1.137 119 R CA 1.254 57.451 56.100 0.161 0.000 0.951 119 R CB -0.083 30.160 30.300 -0.096 0.000 0.851 119 R HN 0.136 nan 8.270 nan 0.000 0.434 120 D N -0.087 120.414 120.400 0.168 0.000 2.144 120 D HA -0.114 4.526 4.640 0.001 0.000 0.200 120 D C 2.044 178.418 176.300 0.125 0.000 0.978 120 D CA 1.739 55.840 54.000 0.169 0.000 0.833 120 D CB -0.250 40.629 40.800 0.131 0.000 0.961 120 D HN 0.213 nan 8.370 nan 0.000 0.470 121 S N 0.212 115.986 115.700 0.123 0.000 2.399 121 S HA -0.093 4.378 4.470 0.001 0.000 0.231 121 S C 2.188 176.915 174.600 0.210 0.000 1.022 121 S CA 0.516 58.816 58.200 0.166 0.000 0.983 121 S CB -0.525 62.809 63.200 0.223 0.000 0.803 121 S HN 0.250 nan 8.310 nan 0.000 0.480 122 I N 1.136 121.742 120.570 0.060 0.000 2.439 122 I HA -0.051 4.119 4.170 0.001 0.000 0.251 122 I C 2.848 178.834 176.117 -0.218 0.000 1.139 122 I CA 0.950 62.173 61.300 -0.128 0.000 1.438 122 I CB -0.218 37.478 38.000 -0.506 0.000 1.085 122 I HN 0.292 nan 8.210 nan 0.000 0.427 123 K N 1.316 121.565 120.400 -0.251 0.000 2.025 123 K HA -0.152 4.169 4.320 0.001 0.000 0.207 123 K C 2.213 178.808 176.600 -0.009 0.000 1.049 123 K CA 1.537 57.703 56.287 -0.201 0.000 0.933 123 K CB -0.092 32.420 32.500 0.019 0.000 0.714 123 K HN 0.267 nan 8.250 nan 0.000 0.438 124 A N 1.219 124.062 122.820 0.038 0.000 1.972 124 A HA -0.161 4.159 4.320 0.001 0.000 0.219 124 A C 2.016 179.595 177.584 -0.009 0.000 1.169 124 A CA 1.132 53.198 52.037 0.048 0.000 0.635 124 A CB -0.399 18.634 19.000 0.055 0.000 0.810 124 A HN 0.329 nan 8.150 nan 0.000 0.446 125 L N -1.986 119.209 121.223 -0.046 0.000 2.007 125 L HA 0.052 4.393 4.340 0.001 0.000 0.205 125 L C 2.237 178.954 176.870 -0.254 0.000 1.073 125 L CA 1.890 56.638 54.840 -0.153 0.000 0.744 125 L CB -0.507 41.460 42.059 -0.154 0.000 0.898 125 L HN 0.369 nan 8.230 nan 0.000 0.435 126 F N -1.617 118.115 119.950 -0.363 0.000 2.118 126 F HA -0.080 4.448 4.527 0.001 0.000 0.293 126 F C 1.852 177.402 175.800 -0.416 0.000 1.102 126 F CA 1.784 59.436 58.000 -0.581 0.000 1.247 126 F CB -0.242 37.926 39.000 -1.386 0.000 1.017 126 F HN -0.007 nan 8.300 nan 0.000 0.475 127 F N -1.626 118.465 119.950 0.235 0.000 2.453 127 F HA 0.243 4.770 4.527 0.001 0.000 0.284 127 F C 2.492 178.377 175.800 0.142 0.000 1.065 127 F CA 0.501 58.620 58.000 0.198 0.000 1.411 127 F CB -1.198 37.895 39.000 0.156 0.000 1.131 127 F HN -0.138 nan 8.300 nan 0.000 0.582 128 G N -0.841 108.112 108.800 0.255 0.000 2.448 128 G HA2 -0.161 3.799 3.960 0.001 0.000 0.219 128 G HA3 -0.161 3.799 3.960 0.001 0.000 0.219 128 G C 0.658 175.632 174.900 0.125 0.000 1.127 128 G CA 0.970 46.171 45.100 0.170 0.000 0.766 128 G HN 0.241 nan 8.290 nan 0.000 0.552 129 S N -1.077 114.680 115.700 0.095 0.000 3.783 129 S HA -0.143 4.327 4.470 0.001 0.000 0.497 129 S C 1.419 176.014 174.600 -0.007 0.000 0.804 129 S CA 0.924 59.145 58.200 0.033 0.000 1.361 129 S CB -1.190 62.026 63.200 0.026 0.000 0.873 129 S HN 0.682 nan 8.310 nan 0.000 0.671 130 K N 1.173 121.542 120.400 -0.052 0.000 2.155 130 K HA -0.043 4.277 4.320 0.001 0.000 0.203 130 K C 2.025 178.541 176.600 -0.141 0.000 1.052 130 K CA 1.370 57.606 56.287 -0.086 0.000 0.948 130 K CB -0.087 32.359 32.500 -0.088 0.000 0.728 130 K HN 0.505 nan 8.250 nan 0.000 0.448 131 L N 0.923 122.042 121.223 -0.172 0.000 1.989 131 L HA -0.171 4.169 4.340 0.001 0.000 0.211 131 L C 1.994 178.738 176.870 -0.209 0.000 1.071 131 L CA 1.663 56.383 54.840 -0.199 0.000 0.749 131 L CB -0.668 41.253 42.059 -0.230 0.000 0.890 131 L HN 0.145 nan 8.230 nan 0.000 0.431 132 F N 0.273 119.940 119.950 -0.471 0.000 2.216 132 F HA -0.218 4.309 4.527 0.001 0.000 0.300 132 F C 2.154 177.764 175.800 -0.316 0.000 1.085 132 F CA 1.932 59.552 58.000 -0.633 0.000 1.326 132 F CB -0.410 37.972 39.000 -1.031 0.000 1.027 132 F HN 0.300 nan 8.300 nan 0.000 0.497 133 N N -0.059 118.424 118.700 -0.361 0.000 2.223 133 N HA -0.177 4.563 4.740 0.001 0.000 0.185 133 N C 1.924 177.226 175.510 -0.347 0.000 1.016 133 N CA 1.239 54.072 53.050 -0.362 0.000 0.863 133 N CB -0.150 38.242 38.487 -0.159 0.000 0.983 133 N HN 0.355 nan 8.380 nan 0.000 0.429 134 V N 0.687 120.432 119.914 -0.282 0.000 3.129 134 V HA 0.068 4.188 4.120 0.001 0.000 0.259 134 V C 1.379 177.333 176.094 -0.233 0.000 1.116 134 V CA 0.890 63.055 62.300 -0.224 0.000 1.127 134 V CB -0.171 31.548 31.823 -0.173 0.000 0.742 134 V HN 0.220 nan 8.190 nan 0.000 0.474 135 L N 0.250 121.290 121.223 -0.305 0.000 2.607 135 L HA 0.352 4.692 4.340 0.001 0.000 0.228 135 L C 2.611 179.265 176.870 -0.360 0.000 1.123 135 L CA 0.642 55.333 54.840 -0.248 0.000 0.890 135 L CB -0.530 41.448 42.059 -0.135 0.000 1.103 135 L HN 0.385 nan 8.230 nan 0.000 0.468 136 A N 0.550 123.014 122.820 -0.593 0.000 1.940 136 A HA -0.204 4.116 4.320 0.001 0.000 0.219 136 A C 1.857 179.273 177.584 -0.280 0.000 1.176 136 A CA 1.647 53.288 52.037 -0.659 0.000 0.631 136 A CB -0.390 18.202 19.000 -0.680 0.000 0.814 136 A HN 0.377 nan 8.150 nan 0.000 0.446 137 N N -1.253 117.326 118.700 -0.200 0.000 2.521 137 N HA 0.003 4.743 4.740 0.001 0.000 0.188 137 N C 1.432 176.901 175.510 -0.069 0.000 1.146 137 N CA 0.608 53.592 53.050 -0.111 0.000 0.893 137 N CB -0.077 38.353 38.487 -0.094 0.000 0.975 137 N HN 0.679 nan 8.380 nan 0.000 0.451 138 R N -0.299 120.159 120.500 -0.069 0.000 2.350 138 R HA 0.290 4.630 4.340 0.001 0.000 0.199 138 R C 0.299 176.615 176.300 0.026 0.000 0.876 138 R CA 0.245 56.336 56.100 -0.016 0.000 1.062 138 R CB 0.727 31.020 30.300 -0.013 0.000 1.263 138 R HN 0.170 nan 8.270 nan 0.000 0.641 139 I N -0.286 120.308 120.570 0.041 0.000 2.994 139 I HA 0.424 4.595 4.170 0.001 0.000 0.306 139 I C -1.686 174.543 176.117 0.188 0.000 1.195 139 I CA -1.158 60.221 61.300 0.132 0.000 1.001 139 I CB 2.325 40.469 38.000 0.240 0.000 1.244 139 I HN -0.020 nan 8.210 nan 0.000 0.437 140 D N 4.560 125.090 120.400 0.217 0.000 2.385 140 D HA 0.167 4.808 4.640 0.001 0.000 0.254 140 D C 0.708 177.236 176.300 0.379 0.000 1.053 140 D CA -0.703 53.465 54.000 0.281 0.000 0.992 140 D CB 1.805 42.666 40.800 0.103 0.000 1.145 140 D HN 0.769 nan 8.370 nan 0.000 0.523 141 M N 1.249 121.014 119.600 0.275 0.000 2.149 141 M HA -0.103 4.378 4.480 0.001 0.000 0.261 141 M C 1.885 178.217 176.300 0.054 0.000 1.064 141 M CA 2.167 57.428 55.300 -0.065 0.000 1.102 141 M CB -0.885 31.632 32.600 -0.138 0.000 1.369 141 M HN 0.608 nan 8.290 nan 0.000 0.408 142 A N -0.292 122.595 122.820 0.111 0.000 1.877 142 A HA -0.236 4.085 4.320 0.001 0.000 0.216 142 A C 2.260 179.871 177.584 0.045 0.000 1.186 142 A CA 2.184 54.289 52.037 0.113 0.000 0.620 142 A CB -0.858 18.273 19.000 0.218 0.000 0.822 142 A HN 0.610 nan 8.150 nan 0.000 0.443 143 K N -1.875 118.552 120.400 0.044 0.000 2.057 143 K HA -0.218 4.103 4.320 0.001 0.000 0.207 143 K C 1.934 178.503 176.600 -0.053 0.000 1.049 143 K CA 1.801 58.052 56.287 -0.059 0.000 0.931 143 K CB -0.416 32.080 32.500 -0.007 0.000 0.714 143 K HN 0.514 nan 8.250 nan 0.000 0.440 144 Y N 1.335 121.680 120.300 0.074 0.000 2.128 144 Y HA -0.214 4.337 4.550 0.001 0.000 0.284 144 Y C 1.729 177.688 175.900 0.097 0.000 1.154 144 Y CA 1.695 59.914 58.100 0.198 0.000 1.149 144 Y CB -0.297 38.269 38.460 0.177 0.000 0.976 144 Y HN 0.014 nan 8.280 nan 0.000 0.505 145 L N -0.344 120.875 121.223 -0.006 0.000 2.079 145 L HA -0.224 4.116 4.340 0.001 0.000 0.210 145 L C 2.724 179.517 176.870 -0.129 0.000 1.081 145 L CA 1.354 56.143 54.840 -0.085 0.000 0.752 145 L CB -1.213 40.819 42.059 -0.045 0.000 0.896 145 L HN 0.446 nan 8.230 nan 0.000 0.433 146 G N -0.908 107.795 108.800 -0.162 0.000 2.476 146 G HA2 -0.308 3.653 3.960 0.001 0.000 0.218 146 G HA3 -0.308 3.653 3.960 0.001 0.000 0.218 146 G C 1.349 176.122 174.900 -0.212 0.000 1.164 146 G CA 0.947 45.914 45.100 -0.223 0.000 0.768 146 G HN 0.350 nan 8.290 nan 0.000 0.560 147 Y N -0.027 120.188 120.300 -0.141 0.000 2.163 147 Y HA 0.020 4.571 4.550 0.001 0.000 0.288 147 Y C 2.899 178.692 175.900 -0.179 0.000 1.136 147 Y CA 0.295 58.296 58.100 -0.165 0.000 1.147 147 Y CB -0.188 38.158 38.460 -0.191 0.000 0.987 147 Y HN 0.007 nan 8.280 nan 0.000 0.509 148 L N 0.360 121.524 121.223 -0.099 0.000 2.081 148 L HA -0.304 4.036 4.340 0.001 0.000 0.212 148 L C 2.598 179.546 176.870 0.129 0.000 1.080 148 L CA 1.819 56.641 54.840 -0.029 0.000 0.754 148 L CB -0.695 41.354 42.059 -0.017 0.000 0.893 148 L HN 0.343 nan 8.230 nan 0.000 0.433 149 R N 0.296 120.821 120.500 0.042 0.000 2.073 149 R HA -0.172 4.168 4.340 0.001 0.000 0.234 149 R C 2.357 178.663 176.300 0.010 0.000 1.134 149 R CA 1.244 57.354 56.100 0.015 0.000 0.952 149 R CB -0.196 30.040 30.300 -0.107 0.000 0.850 149 R HN 0.316 nan 8.270 nan 0.000 0.433 150 L N 0.594 121.810 121.223 -0.011 0.000 2.191 150 L HA -0.180 4.161 4.340 0.001 0.000 0.212 150 L C 2.611 179.482 176.870 0.001 0.000 1.103 150 L CA 1.127 55.966 54.840 -0.002 0.000 0.769 150 L CB -0.363 41.710 42.059 0.023 0.000 0.908 150 L HN 0.307 nan 8.230 nan 0.000 0.438 151 Q N -0.494 119.280 119.800 -0.044 0.000 2.046 151 Q HA -0.197 4.144 4.340 0.001 0.000 0.200 151 Q C 1.960 177.853 176.000 -0.180 0.000 0.975 151 Q CA 2.049 57.742 55.803 -0.183 0.000 0.836 151 Q CB -0.282 28.269 28.738 -0.312 0.000 0.896 151 Q HN 0.418 nan 8.270 nan 0.000 0.428 152 W N 0.622 121.869 121.300 -0.088 0.000 2.358 152 W HA -0.079 4.581 4.660 0.001 0.000 0.303 152 W C 2.266 178.694 176.519 -0.153 0.000 1.208 152 W CA 1.107 58.396 57.345 -0.094 0.000 1.274 152 W CB -0.152 29.220 29.460 -0.147 0.000 1.138 152 W HN 0.106 nan 8.180 nan 0.000 0.515 153 K N -0.105 120.300 120.400 0.008 0.000 2.063 153 K HA -0.238 4.083 4.320 0.001 0.000 0.208 153 K C 2.018 178.604 176.600 -0.023 0.000 1.048 153 K CA 1.570 57.767 56.287 -0.149 0.000 0.928 153 K CB -0.655 31.740 32.500 -0.174 0.000 0.713 153 K HN 0.118 nan 8.250 nan 0.000 0.442 154 F N 1.987 121.875 119.950 -0.104 0.000 2.075 154 F HA -0.198 4.329 4.527 0.001 0.000 0.297 154 F C 2.037 177.786 175.800 -0.083 0.000 1.113 154 F CA 1.355 59.292 58.000 -0.104 0.000 1.218 154 F CB -0.423 38.469 39.000 -0.180 0.000 0.984 154 F HN 0.008 nan 8.300 nan 0.000 0.472 155 L N -0.360 121.009 121.223 0.243 0.000 2.191 155 L HA -0.165 4.175 4.340 0.001 0.000 0.212 155 L C 1.978 178.926 176.870 0.130 0.000 1.103 155 L CA 1.137 56.077 54.840 0.165 0.000 0.769 155 L CB -0.355 41.746 42.059 0.070 0.000 0.908 155 L HN 0.284 nan 8.230 nan 0.000 0.438 156 L N -0.314 120.975 121.223 0.110 0.000 2.395 156 L HA -0.050 4.290 4.340 0.001 0.000 0.218 156 L C 2.008 178.953 176.870 0.125 0.000 1.130 156 L CA 1.315 56.230 54.840 0.126 0.000 0.826 156 L CB -0.137 41.916 42.059 -0.009 0.000 0.941 156 L HN 0.272 nan 8.230 nan 0.000 0.451 157 E N -1.662 118.555 120.200 0.028 0.000 2.526 157 E HA 0.114 4.464 4.350 0.001 0.000 0.208 157 E C 0.780 177.326 176.600 -0.089 0.000 0.997 157 E CA 0.143 56.534 56.400 -0.014 0.000 0.961 157 E CB 0.420 30.074 29.700 -0.076 0.000 1.030 157 E HN 0.461 nan 8.360 nan 0.000 0.483 158 S N 0.681 116.342 115.700 -0.064 0.000 2.641 158 S HA 0.178 4.649 4.470 0.001 0.000 0.261 158 S C 0.711 175.327 174.600 0.026 0.000 1.257 158 S CA -0.594 57.591 58.200 -0.025 0.000 0.983 158 S CB 0.597 63.844 63.200 0.077 0.000 0.990 158 S HN -0.041 nan 8.310 nan 0.000 0.572 159 N N 1.110 119.837 118.700 0.045 0.000 2.378 159 N HA 0.190 4.930 4.740 0.001 0.000 0.243 159 N C -0.775 174.770 175.510 0.058 0.000 1.137 159 N CA 0.017 53.094 53.050 0.045 0.000 0.862 159 N CB -0.116 38.394 38.487 0.039 0.000 1.116 159 N HN 0.551 nan 8.380 nan 0.000 0.499 160 E N 0.539 120.781 120.200 0.070 0.000 2.194 160 E HA 0.204 4.555 4.350 0.001 0.000 0.284 160 E C -0.182 176.456 176.600 0.064 0.000 1.035 160 E CA 0.280 56.721 56.400 0.067 0.000 0.836 160 E CB 1.180 30.924 29.700 0.073 0.000 1.070 160 E HN 0.033 nan 8.360 nan 0.000 0.401 161 T N 1.649 116.234 114.554 0.053 0.000 2.924 161 T HA 0.177 4.528 4.350 0.001 0.000 0.291 161 T C -0.706 174.015 174.700 0.035 0.000 1.045 161 T CA -0.691 61.443 62.100 0.057 0.000 1.015 161 T CB 0.913 69.815 68.868 0.056 0.000 1.103 161 T HN 0.381 nan 8.240 nan 0.000 0.496 162 D N 1.537 121.958 120.400 0.035 0.000 2.705 162 D HA -0.093 4.547 4.640 0.001 0.000 0.240 162 D C -2.293 173.986 176.300 -0.036 0.000 1.137 162 D CA 0.072 54.073 54.000 0.002 0.000 0.677 162 D CB -1.024 39.781 40.800 0.008 0.000 1.049 162 D HN 0.330 nan 8.370 nan 0.000 0.427 163 P HA -0.020 nan 4.420 nan 0.000 0.265 163 P C -1.518 175.671 177.300 -0.185 0.000 1.187 163 P CA -0.810 62.215 63.100 -0.126 0.000 0.766 163 P CB 0.385 32.013 31.700 -0.120 0.000 0.820 164 P HA -0.221 nan 4.420 nan 0.000 0.205 164 P C 1.144 178.293 177.300 -0.252 0.000 1.046 164 P CA 2.771 65.686 63.100 -0.308 0.000 0.968 164 P CB -0.409 30.774 31.700 -0.861 0.000 0.753 165 G N -3.286 105.276 108.800 -0.397 0.000 3.611 165 G HA2 -0.176 3.784 3.960 0.001 0.000 0.217 165 G HA3 -0.176 3.784 3.960 0.001 0.000 0.217 165 G C 0.888 175.684 174.900 -0.174 0.000 1.023 165 G CA 0.206 45.187 45.100 -0.199 0.000 0.887 165 G HN 0.337 nan 8.290 nan 0.000 0.420 166 F N 1.554 121.402 119.950 -0.171 0.000 2.365 166 F HA 0.419 4.946 4.527 0.001 0.000 0.300 166 F C 2.031 177.586 175.800 -0.408 0.000 1.090 166 F CA 0.893 58.764 58.000 -0.215 0.000 1.408 166 F CB -0.481 38.386 39.000 -0.222 0.000 1.060 166 F HN 0.171 nan 8.300 nan 0.000 0.534 167 L N 1.029 121.592 121.223 -1.100 0.000 2.127 167 L HA -0.076 4.265 4.340 0.001 0.000 0.211 167 L C 2.684 179.449 176.870 -0.176 0.000 1.089 167 L CA 1.464 55.869 54.840 -0.725 0.000 0.757 167 L CB -0.999 40.694 42.059 -0.610 0.000 0.899 167 L HN 0.423 nan 8.230 nan 0.000 0.434 168 G N -0.948 107.745 108.800 -0.179 0.000 2.421 168 G HA2 -0.272 3.689 3.960 0.001 0.000 0.216 168 G HA3 -0.272 3.689 3.960 0.001 0.000 0.216 168 G C 1.325 176.252 174.900 0.045 0.000 1.171 168 G CA 0.757 45.807 45.100 -0.083 0.000 0.775 168 G HN 0.425 nan 8.290 nan 0.000 0.543 169 E N -0.382 119.887 120.200 0.115 0.000 2.049 169 E HA -0.199 4.151 4.350 0.001 0.000 0.198 169 E C 2.296 179.117 176.600 0.368 0.000 1.007 169 E CA 1.331 57.885 56.400 0.257 0.000 0.809 169 E CB -0.216 29.703 29.700 0.364 0.000 0.749 169 E HN 0.576 nan 8.360 nan 0.000 0.450 170 W N 0.901 122.267 121.300 0.110 0.000 2.318 170 W HA -0.168 4.492 4.660 0.001 0.000 0.313 170 W C 2.270 178.650 176.519 -0.233 0.000 1.221 170 W CA 0.621 57.946 57.345 -0.034 0.000 1.266 170 W CB -1.230 28.311 29.460 0.135 0.000 1.150 170 W HN 0.145 nan 8.180 nan 0.000 0.496 171 L N -0.366 120.982 121.223 0.208 0.000 2.046 171 L HA -0.222 4.118 4.340 0.001 0.000 0.208 171 L C 2.269 179.160 176.870 0.035 0.000 1.077 171 L CA 1.264 56.056 54.840 -0.079 0.000 0.747 171 L CB -0.725 41.196 42.059 -0.230 0.000 0.896 171 L HN -0.239 nan 8.230 nan 0.000 0.432 172 V N -1.040 118.944 119.914 0.117 0.000 2.332 172 V HA -0.312 3.809 4.120 0.001 0.000 0.248 172 V C 2.566 178.752 176.094 0.153 0.000 1.055 172 V CA 2.075 64.493 62.300 0.196 0.000 1.038 172 V CB -0.518 31.445 31.823 0.234 0.000 0.651 172 V HN 0.446 nan 8.190 nan 0.000 0.450 173 S N -0.335 115.436 115.700 0.119 0.000 2.402 173 S HA -0.157 4.313 4.470 0.001 0.000 0.229 173 S C 2.234 176.893 174.600 0.097 0.000 1.021 173 S CA 1.494 59.781 58.200 0.146 0.000 0.974 173 S CB -0.212 63.123 63.200 0.225 0.000 0.800 173 S HN 0.632 nan 8.310 nan 0.000 0.484 174 S N 1.049 116.694 115.700 -0.091 0.000 2.356 174 S HA -0.031 4.439 4.470 0.001 0.000 0.223 174 S C 1.494 175.991 174.600 -0.171 0.000 1.032 174 S CA 1.168 59.330 58.200 -0.062 0.000 1.005 174 S CB -0.419 62.679 63.200 -0.169 0.000 0.867 174 S HN 0.483 nan 8.310 nan 0.000 0.449 175 F N 1.535 121.277 119.950 -0.346 0.000 2.186 175 F HA 0.046 4.574 4.527 0.001 0.000 0.299 175 F C 1.976 177.557 175.800 -0.365 0.000 1.090 175 F CA 0.745 58.372 58.000 -0.621 0.000 1.307 175 F CB -0.440 37.571 39.000 -1.648 0.000 1.019 175 F HN 0.111 nan 8.300 nan 0.000 0.489 176 L N -0.590 120.646 121.223 0.021 0.000 2.191 176 L HA -0.235 4.105 4.340 0.001 0.000 0.212 176 L C 2.287 179.238 176.870 0.135 0.000 1.103 176 L CA 0.652 55.602 54.840 0.183 0.000 0.769 176 L CB -0.611 41.592 42.059 0.240 0.000 0.908 176 L HN 0.211 nan 8.230 nan 0.000 0.438 177 L N -0.527 120.752 121.223 0.094 0.000 1.997 177 L HA -0.221 4.120 4.340 0.001 0.000 0.216 177 L C 1.105 178.001 176.870 0.044 0.000 1.074 177 L CA 1.343 56.223 54.840 0.067 0.000 0.763 177 L CB -0.215 41.882 42.059 0.064 0.000 0.890 177 L HN 0.415 nan 8.230 nan 0.000 0.434 178 N N -1.991 116.733 118.700 0.041 0.000 2.812 178 N HA 0.110 4.851 4.740 0.001 0.000 0.262 178 N C -2.351 173.207 175.510 0.081 0.000 1.241 178 N CA -0.969 52.120 53.050 0.065 0.000 0.854 178 N CB 1.578 40.092 38.487 0.045 0.000 1.506 178 N HN -0.291 nan 8.380 nan 0.000 0.576 179 P HA -0.156 nan 4.420 nan 0.000 0.214 179 P C 1.565 178.995 177.300 0.217 0.000 1.169 179 P CA 1.047 64.303 63.100 0.260 0.000 0.908 179 P CB 0.557 32.476 31.700 0.365 0.000 0.791 180 V N -0.878 119.133 119.914 0.161 0.000 2.287 180 V HA -0.230 3.890 4.120 0.001 0.000 0.248 180 V C 2.493 178.635 176.094 0.079 0.000 1.053 180 V CA 1.718 64.094 62.300 0.127 0.000 1.027 180 V CB -1.173 30.696 31.823 0.077 0.000 0.646 180 V HN 0.076 nan 8.190 nan 0.000 0.447 181 L N -0.367 120.880 121.223 0.040 0.000 2.072 181 L HA -0.082 4.258 4.340 0.001 0.000 0.205 181 L C 2.707 179.548 176.870 -0.048 0.000 1.079 181 L CA 1.369 56.210 54.840 0.001 0.000 0.752 181 L CB -0.743 41.330 42.059 0.023 0.000 0.906 181 L HN 0.358 nan 8.230 nan 0.000 0.436 182 A N 0.117 122.890 122.820 -0.078 0.000 1.902 182 A HA -0.183 4.138 4.320 0.001 0.000 0.217 182 A C 2.513 179.921 177.584 -0.292 0.000 1.181 182 A CA 1.747 53.618 52.037 -0.276 0.000 0.623 182 A CB -0.635 18.121 19.000 -0.406 0.000 0.818 182 A HN 0.407 nan 8.150 nan 0.000 0.443 183 A N -0.011 122.813 122.820 0.006 0.000 1.877 183 A HA -0.177 4.144 4.320 0.001 0.000 0.216 183 A C 1.801 179.258 177.584 -0.212 0.000 1.186 183 A CA 1.963 54.041 52.037 0.068 0.000 0.620 183 A CB -0.680 18.470 19.000 0.251 0.000 0.822 183 A HN 0.438 nan 8.150 nan 0.000 0.443 184 D N -0.440 119.928 120.400 -0.053 0.000 2.106 184 D HA -0.173 4.468 4.640 0.001 0.000 0.191 184 D C 2.059 178.278 176.300 -0.136 0.000 0.997 184 D CA 1.821 55.802 54.000 -0.031 0.000 0.834 184 D CB -0.271 40.539 40.800 0.017 0.000 0.956 184 D HN 0.513 nan 8.370 nan 0.000 0.448 185 M N -0.701 118.802 119.600 -0.161 0.000 2.216 185 M HA 0.041 4.522 4.480 0.001 0.000 0.264 185 M C 2.217 178.357 176.300 -0.267 0.000 1.080 185 M CA 0.747 55.935 55.300 -0.186 0.000 1.153 185 M CB 0.020 32.523 32.600 -0.162 0.000 1.356 185 M HN -0.046 nan 8.290 nan 0.000 0.432 186 L N -0.362 120.651 121.223 -0.350 0.000 2.131 186 L HA -0.088 4.253 4.340 0.001 0.000 0.206 186 L C 2.175 178.906 176.870 -0.232 0.000 1.087 186 L CA 0.839 55.436 54.840 -0.405 0.000 0.767 186 L CB -0.464 41.207 42.059 -0.647 0.000 0.917 186 L HN 0.308 nan 8.230 nan 0.000 0.441 187 L N -0.766 120.321 121.223 -0.227 0.000 2.117 187 L HA 0.078 4.418 4.340 0.001 0.000 0.200 187 L C 2.690 179.356 176.870 -0.340 0.000 1.110 187 L CA 1.111 55.782 54.840 -0.282 0.000 0.774 187 L CB -1.248 40.496 42.059 -0.524 0.000 0.934 187 L HN 0.189 nan 8.230 nan 0.000 0.456 188 G N -0.436 108.048 108.800 -0.528 0.000 2.505 188 G HA2 -0.225 3.736 3.960 0.001 0.000 0.220 188 G HA3 -0.225 3.736 3.960 0.001 0.000 0.220 188 G C 1.219 176.073 174.900 -0.077 0.000 1.145 188 G CA 0.778 45.782 45.100 -0.159 0.000 0.761 188 G HN 0.308 nan 8.290 nan 0.000 0.571 189 E N -0.978 119.141 120.200 -0.136 0.000 2.569 189 E HA 0.371 4.721 4.350 0.001 0.000 0.205 189 E C 0.787 177.280 176.600 -0.179 0.000 1.006 189 E CA -0.160 56.172 56.400 -0.114 0.000 0.985 189 E CB 0.971 30.610 29.700 -0.102 0.000 1.060 189 E HN 0.423 nan 8.360 nan 0.000 0.460 190 L N -2.288 118.790 121.223 -0.243 0.000 2.455 190 L HA 0.198 4.539 4.340 0.001 0.000 0.138 190 L C 0.738 177.419 176.870 -0.316 0.000 1.398 190 L CA 0.275 54.865 54.840 -0.416 0.000 0.998 190 L CB -0.325 41.304 42.059 -0.716 0.000 1.985 190 L HN -0.134 nan 8.230 nan 0.000 0.493 191 F N 0.564 120.399 119.950 -0.192 0.000 2.408 191 F HA 0.009 4.536 4.527 0.001 0.000 0.300 191 F C 1.625 177.382 175.800 -0.072 0.000 1.090 191 F CA 0.841 58.766 58.000 -0.126 0.000 1.427 191 F CB -0.157 38.610 39.000 -0.389 0.000 1.070 191 F HN 0.066 nan 8.300 nan 0.000 0.549 192 L N -0.890 120.342 121.223 0.014 0.000 2.769 192 L HA 0.185 4.525 4.340 0.001 0.000 0.240 192 L C 1.593 178.374 176.870 -0.148 0.000 1.163 192 L CA 0.328 55.147 54.840 -0.034 0.000 0.962 192 L CB -0.751 41.345 42.059 0.061 0.000 1.258 192 L HN 0.124 nan 8.230 nan 0.000 0.513 193 L N -0.404 120.733 121.223 -0.144 0.000 2.007 193 L HA -0.089 4.251 4.340 0.001 0.000 0.205 193 L C 0.758 177.424 176.870 -0.340 0.000 1.073 193 L CA 1.290 56.061 54.840 -0.115 0.000 0.744 193 L CB -0.064 42.029 42.059 0.056 0.000 0.898 193 L HN 0.276 nan 8.230 nan 0.000 0.435 194 K N -2.157 117.921 120.400 -0.536 0.000 2.399 194 K HA 0.261 4.582 4.320 0.001 0.000 0.260 194 K C 0.277 176.473 176.600 -0.675 0.000 1.049 194 K CA -0.715 55.242 56.287 -0.550 0.000 0.890 194 K CB 1.315 33.590 32.500 -0.375 0.000 1.430 194 K HN -0.328 nan 8.250 nan 0.000 0.459 195 E N 1.064 121.190 120.200 -0.123 0.000 2.028 195 E HA -0.192 4.159 4.350 0.001 0.000 0.191 195 E C 1.861 178.560 176.600 0.165 0.000 0.988 195 E CA 2.239 58.775 56.400 0.226 0.000 0.799 195 E CB -0.468 29.420 29.700 0.314 0.000 0.755 195 E HN 0.623 nan 8.360 nan 0.000 0.447 196 S N -0.970 114.722 115.700 -0.014 0.000 2.393 196 S HA -0.295 4.176 4.470 0.001 0.000 0.235 196 S C 2.105 176.801 174.600 0.160 0.000 1.061 196 S CA 1.968 60.145 58.200 -0.039 0.000 1.129 196 S CB -0.827 62.220 63.200 -0.255 0.000 1.011 196 S HN 0.586 nan 8.310 nan 0.000 0.436 197 Y N -0.815 119.541 120.300 0.095 0.000 2.263 197 Y HA -0.015 4.536 4.550 0.001 0.000 0.292 197 Y C 2.292 178.405 175.900 0.355 0.000 1.130 197 Y CA 0.796 58.990 58.100 0.158 0.000 1.179 197 Y CB -0.364 38.097 38.460 0.001 0.000 0.998 197 Y HN 0.414 nan 8.280 nan 0.000 0.532 198 F N 0.067 120.179 119.950 0.270 0.000 2.234 198 F HA -0.236 4.291 4.527 0.001 0.000 0.299 198 F C 2.055 178.082 175.800 0.379 0.000 1.087 198 F CA 0.829 59.018 58.000 0.314 0.000 1.340 198 F CB -0.782 38.339 39.000 0.202 0.000 1.031 198 F HN 0.039 nan 8.300 nan 0.000 0.500 199 F N 0.315 120.343 119.950 0.130 0.000 2.134 199 F HA -0.206 4.321 4.527 0.001 0.000 0.299 199 F C 2.520 178.319 175.800 -0.001 0.000 1.097 199 F CA 1.923 59.920 58.000 -0.004 0.000 1.264 199 F CB -0.666 38.373 39.000 0.066 0.000 1.001 199 F HN -0.099 nan 8.300 nan 0.000 0.479 200 S N 0.426 116.364 115.700 0.398 0.000 2.359 200 S HA -0.257 4.213 4.470 0.001 0.000 0.224 200 S C 1.827 176.503 174.600 0.127 0.000 1.035 200 S CA 1.613 60.001 58.200 0.313 0.000 1.018 200 S CB -0.906 62.554 63.200 0.433 0.000 0.876 200 S HN 0.552 nan 8.310 nan 0.000 0.448 201 F N 2.280 122.210 119.950 -0.033 0.000 2.095 201 F HA -0.244 4.283 4.527 0.001 0.000 0.298 201 F C 2.524 178.121 175.800 -0.340 0.000 1.104 201 F CA 1.692 59.474 58.000 -0.363 0.000 1.232 201 F CB -0.339 38.436 39.000 -0.375 0.000 0.987 201 F HN 0.224 nan 8.300 nan 0.000 0.475 202 Q N 0.306 119.844 119.800 -0.437 0.000 2.030 202 Q HA -0.258 4.083 4.340 0.001 0.000 0.204 202 Q C 2.229 177.986 176.000 -0.406 0.000 0.986 202 Q CA 2.001 57.523 55.803 -0.468 0.000 0.843 202 Q CB -0.386 27.960 28.738 -0.653 0.000 0.904 202 Q HN 0.444 nan 8.270 nan 0.000 0.420 203 K N 0.544 120.704 120.400 -0.400 0.000 2.074 203 K HA -0.163 4.158 4.320 0.001 0.000 0.209 203 K C 2.071 178.529 176.600 -0.237 0.000 1.048 203 K CA 1.285 57.404 56.287 -0.279 0.000 0.926 203 K CB -0.212 32.185 32.500 -0.171 0.000 0.713 203 K HN 0.225 nan 8.250 nan 0.000 0.444 204 I N 1.148 121.557 120.570 -0.267 0.000 2.286 204 I HA -0.257 3.913 4.170 0.001 0.000 0.248 204 I C 2.343 178.259 176.117 -0.336 0.000 1.115 204 I CA 1.153 62.287 61.300 -0.276 0.000 1.392 204 I CB -0.268 37.557 38.000 -0.292 0.000 1.065 204 I HN 0.248 nan 8.210 nan 0.000 0.418 205 I N -1.868 118.433 120.570 -0.448 0.000 3.035 205 I HA -0.049 4.121 4.170 0.001 0.000 0.271 205 I C 2.527 178.500 176.117 -0.239 0.000 1.190 205 I CA 0.987 62.051 61.300 -0.395 0.000 1.472 205 I CB -0.251 37.406 38.000 -0.572 0.000 1.116 205 I HN 0.106 nan 8.210 nan 0.000 0.443 206 S N 2.003 117.579 115.700 -0.207 0.000 2.436 206 S HA 0.166 4.636 4.470 0.001 0.000 0.228 206 S C 1.819 176.346 174.600 -0.121 0.000 1.014 206 S CA 0.458 58.577 58.200 -0.135 0.000 0.950 206 S CB -0.350 62.768 63.200 -0.137 0.000 0.784 206 S HN 0.517 nan 8.310 nan 0.000 0.504 207 A N 0.690 123.425 122.820 -0.142 0.000 2.532 207 A HA 0.644 4.964 4.320 0.001 0.000 0.273 207 A C 0.578 178.092 177.584 -0.117 0.000 1.342 207 A CA -0.292 51.676 52.037 -0.114 0.000 0.929 207 A CB -0.302 18.630 19.000 -0.115 0.000 1.051 207 A HN 0.397 nan 8.150 nan 0.000 0.521 208 S N -0.708 114.921 115.700 -0.119 0.000 2.568 208 S HA 0.541 5.011 4.470 0.001 0.000 0.293 208 S C 0.305 174.862 174.600 -0.072 0.000 1.089 208 S CA -0.028 58.106 58.200 -0.110 0.000 0.945 208 S CB 1.388 64.497 63.200 -0.152 0.000 1.077 208 S HN 0.754 nan 8.310 nan 0.000 0.485 209 S N 2.855 118.529 115.700 -0.042 0.000 2.553 209 S HA -0.018 4.452 4.470 0.001 0.000 0.293 209 S C 1.377 175.958 174.600 -0.032 0.000 1.296 209 S CA 0.052 58.239 58.200 -0.021 0.000 1.046 209 S CB -0.116 63.087 63.200 0.005 0.000 0.810 209 S HN 0.763 nan 8.310 nan 0.000 0.505 210 L N 4.648 125.859 121.223 -0.021 0.000 2.046 210 L HA -0.058 4.283 4.340 0.001 0.000 0.208 210 L C 2.096 178.950 176.870 -0.026 0.000 1.077 210 L CA 1.686 56.511 54.840 -0.025 0.000 0.747 210 L CB -0.384 41.668 42.059 -0.012 0.000 0.896 210 L HN 0.892 nan 8.230 nan 0.000 0.432 211 I N 0.187 120.750 120.570 -0.012 0.000 2.163 211 I HA -0.325 3.845 4.170 0.001 0.000 0.243 211 I C 2.093 178.199 176.117 -0.018 0.000 1.085 211 I CA 1.492 62.787 61.300 -0.009 0.000 1.347 211 I CB -0.613 37.392 38.000 0.009 0.000 1.044 211 I HN 0.281 nan 8.210 nan 0.000 0.408 212 D N 0.308 120.702 120.400 -0.010 0.000 2.178 212 D HA -0.198 4.443 4.640 0.001 0.000 0.201 212 D C 2.183 178.445 176.300 -0.062 0.000 0.980 212 D CA 1.035 55.028 54.000 -0.012 0.000 0.842 212 D CB -0.179 40.623 40.800 0.004 0.000 0.948 212 D HN 0.383 nan 8.370 nan 0.000 0.472 213 Q N 0.403 120.153 119.800 -0.084 0.000 2.061 213 Q HA -0.162 4.179 4.340 0.001 0.000 0.204 213 Q C 2.022 177.936 176.000 -0.142 0.000 0.984 213 Q CA 1.377 57.100 55.803 -0.133 0.000 0.846 213 Q CB 0.163 28.836 28.738 -0.107 0.000 0.902 213 Q HN 0.194 nan 8.270 nan 0.000 0.421 214 K N -0.164 120.175 120.400 -0.101 0.000 2.057 214 K HA -0.157 4.164 4.320 0.001 0.000 0.207 214 K C 2.123 178.633 176.600 -0.151 0.000 1.049 214 K CA 1.269 57.492 56.287 -0.107 0.000 0.931 214 K CB -0.075 32.383 32.500 -0.069 0.000 0.714 214 K HN 0.209 nan 8.250 nan 0.000 0.440 215 R N 0.883 121.299 120.500 -0.140 0.000 2.061 215 R HA -0.075 4.265 4.340 0.001 0.000 0.230 215 R C 2.514 178.670 176.300 -0.239 0.000 1.140 215 R CA 1.157 57.126 56.100 -0.219 0.000 0.940 215 R CB -0.778 29.471 30.300 -0.085 0.000 0.839 215 R HN 0.126 nan 8.270 nan 0.000 0.429 216 L N 0.678 121.856 121.223 -0.076 0.000 2.013 216 L HA -0.239 4.101 4.340 0.001 0.000 0.212 216 L C 2.551 179.327 176.870 -0.158 0.000 1.073 216 L CA 1.561 56.365 54.840 -0.060 0.000 0.753 216 L CB -0.410 41.546 42.059 -0.173 0.000 0.890 216 L HN 0.211 nan 8.230 nan 0.000 0.432 217 I N -1.159 119.272 120.570 -0.232 0.000 2.339 217 I HA -0.130 4.041 4.170 0.001 0.000 0.245 217 I C 2.621 178.629 176.117 -0.182 0.000 1.096 217 I CA 0.902 62.047 61.300 -0.259 0.000 1.408 217 I CB -0.232 37.540 38.000 -0.380 0.000 1.092 217 I HN 0.150 nan 8.210 nan 0.000 0.423 218 A N 0.737 123.446 122.820 -0.185 0.000 1.935 218 A HA -0.044 4.277 4.320 0.001 0.000 0.214 218 A C 2.363 179.822 177.584 -0.208 0.000 1.178 218 A CA 1.590 53.534 52.037 -0.154 0.000 0.640 218 A CB -0.518 18.408 19.000 -0.125 0.000 0.825 218 A HN 0.309 nan 8.150 nan 0.000 0.447 219 K N -1.774 118.405 120.400 -0.369 0.000 2.367 219 K HA 0.469 4.789 4.320 0.001 0.000 0.194 219 K C 1.038 177.206 176.600 -0.720 0.000 1.027 219 K CA 0.771 56.718 56.287 -0.566 0.000 1.075 219 K CB -0.424 31.628 32.500 -0.747 0.000 0.845 219 K HN 0.426 nan 8.250 nan 0.000 0.529 220 F N -1.686 118.132 119.950 -0.220 0.000 2.347 220 F HA 0.249 4.776 4.527 0.001 0.000 0.266 220 F C 1.709 177.365 175.800 -0.239 0.000 0.884 220 F CA -0.514 57.276 58.000 -0.349 0.000 1.123 220 F CB -0.491 37.961 39.000 -0.913 0.000 1.098 220 F HN 0.027 nan 8.300 nan 0.000 0.803 221 L N 0.815 122.017 121.223 -0.035 0.000 1.955 221 L HA -0.130 4.211 4.340 0.001 0.000 0.213 221 L C 2.166 179.090 176.870 0.090 0.000 1.072 221 L CA 1.849 56.711 54.840 0.036 0.000 0.755 221 L CB -1.078 41.001 42.059 0.033 0.000 0.888 221 L HN 0.166 nan 8.230 nan 0.000 0.432 222 L N -0.497 120.740 121.223 0.023 0.000 1.978 222 L HA -0.234 4.107 4.340 0.001 0.000 0.218 222 L C -0.072 176.822 176.870 0.041 0.000 1.075 222 L CA 2.126 56.981 54.840 0.025 0.000 0.767 222 L CB -1.728 40.321 42.059 -0.018 0.000 0.890 222 L HN 0.286 nan 8.230 nan 0.000 0.434 223 P HA -0.231 nan 4.420 nan 0.000 0.216 223 P C 1.220 178.568 177.300 0.080 0.000 1.150 223 P CA 1.437 64.567 63.100 0.049 0.000 0.837 223 P CB -0.115 31.621 31.700 0.060 0.000 0.786 224 Y N 0.100 120.421 120.300 0.034 0.000 2.163 224 Y HA -0.153 4.397 4.550 0.001 0.000 0.288 224 Y C 2.201 178.114 175.900 0.023 0.000 1.136 224 Y CA 1.343 59.468 58.100 0.041 0.000 1.147 224 Y CB -0.957 37.542 38.460 0.065 0.000 0.987 224 Y HN -0.223 nan 8.280 nan 0.000 0.509 225 I N 0.333 120.950 120.570 0.079 0.000 2.248 225 I HA -0.391 3.780 4.170 0.001 0.000 0.248 225 I C 2.516 178.576 176.117 -0.095 0.000 1.107 225 I CA 1.974 63.271 61.300 -0.005 0.000 1.373 225 I CB -0.326 37.711 38.000 0.061 0.000 1.055 225 I HN 0.393 nan 8.210 nan 0.000 0.418 226 Q N 0.112 119.869 119.800 -0.073 0.000 2.230 226 Q HA -0.136 4.204 4.340 0.001 0.000 0.202 226 Q C 2.121 178.050 176.000 -0.118 0.000 0.963 226 Q CA 1.061 56.819 55.803 -0.075 0.000 0.866 226 Q CB 0.255 28.968 28.738 -0.041 0.000 0.931 226 Q HN 0.365 nan 8.270 nan 0.000 0.452 227 V N 1.261 121.061 119.914 -0.191 0.000 2.548 227 V HA -0.198 3.922 4.120 0.001 0.000 0.249 227 V C 2.070 178.015 176.094 -0.249 0.000 1.055 227 V CA 1.731 63.898 62.300 -0.221 0.000 1.065 227 V CB -0.429 31.221 31.823 -0.290 0.000 0.681 227 V HN 0.596 nan 8.190 nan 0.000 0.462 228 I N -2.426 117.955 120.570 -0.314 0.000 3.339 228 I HA 0.247 4.418 4.170 0.001 0.000 0.285 228 I C 1.233 177.266 176.117 -0.140 0.000 1.201 228 I CA 0.171 61.327 61.300 -0.240 0.000 1.434 228 I CB 0.237 38.065 38.000 -0.287 0.000 1.152 228 I HN 0.014 nan 8.210 nan 0.000 0.443 229 V N 4.428 124.269 119.914 -0.121 0.000 2.717 229 V HA -0.037 4.084 4.120 0.001 0.000 0.302 229 V C 0.048 176.099 176.094 -0.072 0.000 1.097 229 V CA 1.298 63.550 62.300 -0.081 0.000 1.262 229 V CB -0.421 31.362 31.823 -0.067 0.000 0.846 229 V HN 0.640 nan 8.190 nan 0.000 0.485 230 T N 7.350 121.867 114.554 -0.063 0.000 2.927 230 T HA 0.440 4.790 4.350 0.001 0.000 0.286 230 T C 1.112 175.782 174.700 -0.050 0.000 1.040 230 T CA -0.657 61.411 62.100 -0.054 0.000 1.010 230 T CB 1.632 70.469 68.868 -0.052 0.000 1.177 230 T HN 0.458 nan 8.240 nan 0.000 0.546 231 L N 0.851 122.047 121.223 -0.045 0.000 2.079 231 L HA -0.127 4.214 4.340 0.001 0.000 0.210 231 L C 2.833 179.677 176.870 -0.045 0.000 1.081 231 L CA 1.413 56.227 54.840 -0.043 0.000 0.752 231 L CB -0.469 41.568 42.059 -0.037 0.000 0.896 231 L HN 0.767 nan 8.230 nan 0.000 0.433 232 E N -0.360 119.813 120.200 -0.044 0.000 2.208 232 E HA -0.207 4.143 4.350 0.001 0.000 0.193 232 E C 1.402 177.970 176.600 -0.053 0.000 0.988 232 E CA 1.088 57.461 56.400 -0.045 0.000 0.828 232 E CB -0.611 29.064 29.700 -0.042 0.000 0.763 232 E HN 0.627 nan 8.360 nan 0.000 0.478 233 N N 0.976 119.643 118.700 -0.054 0.000 2.188 233 N HA -0.038 4.703 4.740 0.001 0.000 0.184 233 N C 2.089 177.561 175.510 -0.064 0.000 1.018 233 N CA 0.297 53.311 53.050 -0.060 0.000 0.858 233 N CB -0.024 38.429 38.487 -0.057 0.000 0.989 233 N HN 0.066 nan 8.380 nan 0.000 0.426 234 L N 1.374 122.562 121.223 -0.059 0.000 1.997 234 L HA -0.307 4.034 4.340 0.001 0.000 0.216 234 L C 2.231 179.063 176.870 -0.064 0.000 1.074 234 L CA 1.635 56.440 54.840 -0.059 0.000 0.763 234 L CB -0.547 41.478 42.059 -0.058 0.000 0.890 234 L HN 0.310 nan 8.230 nan 0.000 0.434 235 N N 0.104 118.764 118.700 -0.067 0.000 2.069 235 N HA -0.236 4.505 4.740 0.001 0.000 0.191 235 N C 1.500 176.958 175.510 -0.086 0.000 1.031 235 N CA 1.977 54.985 53.050 -0.071 0.000 0.852 235 N CB -0.180 38.266 38.487 -0.068 0.000 1.018 235 N HN 0.308 nan 8.380 nan 0.000 0.423 236 D N -0.547 119.790 120.400 -0.104 0.000 2.219 236 D HA -0.103 4.537 4.640 0.001 0.000 0.205 236 D C 1.916 178.132 176.300 -0.139 0.000 0.970 236 D CA 1.099 55.009 54.000 -0.150 0.000 0.851 236 D CB 0.069 40.760 40.800 -0.182 0.000 0.943 236 D HN 0.368 nan 8.370 nan 0.000 0.488 237 V N 1.052 120.912 119.914 -0.089 0.000 2.591 237 V HA -0.131 3.989 4.120 0.001 0.000 0.249 237 V C 2.342 178.421 176.094 -0.025 0.000 1.053 237 V CA 1.288 63.557 62.300 -0.051 0.000 1.068 237 V CB -0.443 31.363 31.823 -0.028 0.000 0.689 237 V HN 0.087 nan 8.190 nan 0.000 0.462 238 R N 0.603 121.080 120.500 -0.038 0.000 2.115 238 R HA -0.037 4.304 4.340 0.001 0.000 0.230 238 R C 2.217 178.504 176.300 -0.021 0.000 1.111 238 R CA 1.467 57.554 56.100 -0.022 0.000 0.976 238 R CB -0.706 29.570 30.300 -0.040 0.000 0.870 238 R HN 0.422 nan 8.270 nan 0.000 0.445 239 K N 0.883 121.250 120.400 -0.055 0.000 2.103 239 K HA -0.063 4.257 4.320 0.001 0.000 0.207 239 K C 2.041 178.616 176.600 -0.042 0.000 1.048 239 K CA 1.575 57.823 56.287 -0.064 0.000 0.930 239 K CB -0.128 32.303 32.500 -0.114 0.000 0.716 239 K HN 0.309 nan 8.250 nan 0.000 0.444 240 I N 0.735 121.279 120.570 -0.043 0.000 2.500 240 I HA -0.199 3.971 4.170 0.001 0.000 0.252 240 I C 2.026 178.261 176.117 0.197 0.000 1.142 240 I CA 0.852 62.173 61.300 0.035 0.000 1.451 240 I CB -0.093 37.898 38.000 -0.015 0.000 1.093 240 I HN 0.091 nan 8.210 nan 0.000 0.430 241 L N 0.641 121.971 121.223 0.178 0.000 2.209 241 L HA -0.068 4.273 4.340 0.001 0.000 0.207 241 L C 2.649 179.631 176.870 0.186 0.000 1.094 241 L CA 0.620 55.631 54.840 0.284 0.000 0.790 241 L CB -0.428 41.742 42.059 0.185 0.000 0.932 241 L HN 0.265 nan 8.230 nan 0.000 0.447 242 R N 0.193 120.736 120.500 0.072 0.000 2.193 242 R HA -0.181 4.160 4.340 0.001 0.000 0.229 242 R C 1.973 178.260 176.300 -0.022 0.000 1.110 242 R CA 0.995 57.114 56.100 0.031 0.000 0.988 242 R CB -0.628 29.675 30.300 0.005 0.000 0.871 242 R HN 0.026 nan 8.270 nan 0.000 0.458 243 R N -0.163 120.269 120.500 -0.114 0.000 2.339 243 R HA 0.173 4.513 4.340 0.001 0.000 0.199 243 R C -0.822 175.158 176.300 -0.533 0.000 1.018 243 R CA 0.477 56.388 56.100 -0.314 0.000 1.036 243 R CB 0.019 30.122 30.300 -0.328 0.000 0.899 243 R HN 0.183 nan 8.270 nan 0.000 0.473 244 F N -1.419 118.560 119.950 0.048 0.000 2.579 244 F HA 0.238 4.766 4.527 0.001 0.000 0.324 244 F C 0.107 175.911 175.800 0.007 0.000 1.058 244 F CA -1.914 56.091 58.000 0.008 0.000 0.944 244 F CB 0.931 39.944 39.000 0.021 0.000 1.245 244 F HN -0.212 nan 8.300 nan 0.000 0.477 245 D N 2.202 122.726 120.400 0.207 0.000 2.498 245 D HA 0.131 4.771 4.640 0.001 0.000 0.229 245 D C 0.955 177.327 176.300 0.119 0.000 1.188 245 D CA 0.422 54.492 54.000 0.117 0.000 1.028 245 D CB 0.117 40.958 40.800 0.069 0.000 1.087 245 D HN 0.506 nan 8.370 nan 0.000 0.510 246 L N 1.789 123.092 121.223 0.135 0.000 2.275 246 L HA -0.080 4.260 4.340 0.001 0.000 0.215 246 L C 1.582 178.527 176.870 0.125 0.000 1.119 246 L CA 0.576 55.491 54.840 0.126 0.000 0.790 246 L CB -0.017 42.123 42.059 0.134 0.000 0.919 246 L HN 0.283 nan 8.230 nan 0.000 0.443 247 D N 0.437 120.904 120.400 0.112 0.000 2.178 247 D HA -0.141 4.499 4.640 0.001 0.000 0.202 247 D C 2.024 178.377 176.300 0.087 0.000 0.974 247 D CA 1.133 55.196 54.000 0.106 0.000 0.841 247 D CB 0.189 41.040 40.800 0.085 0.000 0.953 247 D HN 0.330 nan 8.370 nan 0.000 0.478 248 K N -0.016 120.426 120.400 0.070 0.000 2.243 248 K HA 0.125 4.446 4.320 0.001 0.000 0.201 248 K C 2.035 178.665 176.600 0.050 0.000 1.051 248 K CA 0.267 56.584 56.287 0.051 0.000 0.970 248 K CB 0.578 33.098 32.500 0.032 0.000 0.755 248 K HN 0.136 nan 8.250 nan 0.000 0.465 249 I N 0.499 121.102 120.570 0.054 0.000 3.265 249 I HA 0.033 4.203 4.170 0.001 0.000 0.282 249 I C 0.626 176.769 176.117 0.044 0.000 1.207 249 I CA 0.287 61.601 61.300 0.024 0.000 1.449 249 I CB 0.517 38.508 38.000 -0.014 0.000 1.121 249 I HN -0.045 nan 8.210 nan 0.000 0.442 250 I N 1.733 122.364 120.570 0.101 0.000 2.330 250 I HA 0.136 4.307 4.170 0.001 0.000 0.289 250 I C 0.386 176.618 176.117 0.191 0.000 1.001 250 I CA -0.285 61.081 61.300 0.109 0.000 1.193 250 I CB 1.238 39.301 38.000 0.105 0.000 1.345 250 I HN 0.110 nan 8.210 nan 0.000 0.461 251 S N 5.986 121.754 115.700 0.114 0.000 2.687 251 S HA 0.447 4.917 4.470 0.001 0.000 0.283 251 S C 1.159 175.754 174.600 -0.007 0.000 1.170 251 S CA -0.866 57.423 58.200 0.149 0.000 1.008 251 S CB 1.843 65.109 63.200 0.111 0.000 1.026 251 S HN 0.594 nan 8.310 nan 0.000 0.541 252 L N 1.429 122.643 121.223 -0.015 0.000 1.997 252 L HA -0.214 4.127 4.340 0.001 0.000 0.216 252 L C 3.061 180.015 176.870 0.140 0.000 1.074 252 L CA 2.246 57.055 54.840 -0.052 0.000 0.763 252 L CB -1.076 41.062 42.059 0.132 0.000 0.890 252 L HN 1.025 nan 8.230 nan 0.000 0.434 253 S N -1.025 114.749 115.700 0.123 0.000 2.387 253 S HA -0.184 4.287 4.470 0.001 0.000 0.230 253 S C 1.827 176.490 174.600 0.105 0.000 1.035 253 S CA 1.552 59.816 58.200 0.106 0.000 1.014 253 S CB -1.012 62.202 63.200 0.024 0.000 0.836 253 S HN 0.245 nan 8.310 nan 0.000 0.466 254 V N 1.439 121.382 119.914 0.048 0.000 2.307 254 V HA -0.067 4.053 4.120 0.001 0.000 0.245 254 V C 2.482 178.583 176.094 0.010 0.000 1.045 254 V CA 1.518 63.827 62.300 0.015 0.000 1.024 254 V CB -0.847 30.970 31.823 -0.011 0.000 0.651 254 V HN 0.368 nan 8.190 nan 0.000 0.449 255 L N -0.980 120.228 121.223 -0.025 0.000 2.131 255 L HA -0.078 4.262 4.340 0.001 0.000 0.210 255 L C 2.083 178.909 176.870 -0.072 0.000 1.092 255 L CA 1.804 56.590 54.840 -0.090 0.000 0.759 255 L CB -0.853 41.078 42.059 -0.213 0.000 0.903 255 L HN 0.235 nan 8.230 nan 0.000 0.435 256 F N 0.176 120.093 119.950 -0.056 0.000 2.146 256 F HA -0.185 4.342 4.527 0.001 0.000 0.298 256 F C 2.392 178.181 175.800 -0.018 0.000 1.096 256 F CA 1.519 59.505 58.000 -0.024 0.000 1.275 256 F CB -0.192 38.801 39.000 -0.012 0.000 1.008 256 F HN 0.180 nan 8.300 nan 0.000 0.480 257 E N 0.279 120.581 120.200 0.170 0.000 2.118 257 E HA -0.166 4.184 4.350 0.001 0.000 0.195 257 E C 0.646 177.272 176.600 0.043 0.000 0.992 257 E CA 0.609 57.062 56.400 0.089 0.000 0.804 257 E CB -0.238 29.491 29.700 0.048 0.000 0.741 257 E HN 0.311 nan 8.360 nan 0.000 0.458 258 I N 2.430 123.007 120.570 0.013 0.000 2.752 258 I HA -0.132 4.038 4.170 0.001 0.000 0.286 258 I C 1.356 177.465 176.117 -0.014 0.000 1.180 258 I CA 0.110 61.402 61.300 -0.012 0.000 1.404 258 I CB 0.514 38.493 38.000 -0.035 0.000 1.389 258 I HN 0.078 nan 8.210 nan 0.000 0.549 259 Q N 3.677 123.471 119.800 -0.010 0.000 2.187 259 Q HA -0.037 4.304 4.340 0.001 0.000 0.199 259 Q C 1.074 177.060 176.000 -0.022 0.000 0.957 259 Q CA 0.696 56.494 55.803 -0.008 0.000 0.857 259 Q CB 0.214 28.950 28.738 -0.002 0.000 0.929 259 Q HN 0.705 nan 8.270 nan 0.000 0.453 260 S N 0.061 115.743 115.700 -0.031 0.000 2.488 260 S HA 0.073 4.543 4.470 0.001 0.000 0.278 260 S C 1.035 175.607 174.600 -0.047 0.000 1.259 260 S CA -0.384 57.794 58.200 -0.038 0.000 1.061 260 S CB 0.136 63.310 63.200 -0.043 0.000 0.910 260 S HN 0.472 nan 8.310 nan 0.000 0.491 261 L N 7.045 128.241 121.223 -0.045 0.000 1.976 261 L HA 0.027 4.368 4.340 0.001 0.000 0.209 261 L C -0.440 176.393 176.870 -0.062 0.000 1.071 261 L CA 1.139 55.947 54.840 -0.053 0.000 0.746 261 L CB -1.028 41.003 42.059 -0.047 0.000 0.890 261 L HN 0.572 nan 8.230 nan 0.000 0.432 262 P HA -0.266 nan 4.420 nan 0.000 0.216 262 P C 1.936 179.192 177.300 -0.074 0.000 1.154 262 P CA 1.761 64.823 63.100 -0.064 0.000 0.865 262 P CB -0.126 31.541 31.700 -0.055 0.000 0.789 263 L N -0.549 120.635 121.223 -0.065 0.000 2.027 263 L HA -0.144 4.197 4.340 0.001 0.000 0.206 263 L C 2.782 179.606 176.870 -0.076 0.000 1.074 263 L CA 1.801 56.604 54.840 -0.063 0.000 0.745 263 L CB -0.542 41.487 42.059 -0.050 0.000 0.898 263 L HN -0.086 nan 8.230 nan 0.000 0.433 264 K N -0.052 120.299 120.400 -0.082 0.000 2.020 264 K HA -0.311 4.009 4.320 0.001 0.000 0.212 264 K C 1.982 178.499 176.600 -0.139 0.000 1.050 264 K CA 2.206 58.430 56.287 -0.105 0.000 0.929 264 K CB -0.161 32.275 32.500 -0.108 0.000 0.714 264 K HN 0.383 nan 8.250 nan 0.000 0.443 265 E N 0.125 120.243 120.200 -0.136 0.000 2.049 265 E HA -0.207 4.143 4.350 0.001 0.000 0.198 265 E C 1.933 178.406 176.600 -0.211 0.000 1.007 265 E CA 1.643 57.935 56.400 -0.180 0.000 0.809 265 E CB -0.016 29.591 29.700 -0.155 0.000 0.749 265 E HN 0.106 nan 8.360 nan 0.000 0.450 266 V N 1.177 120.995 119.914 -0.160 0.000 2.317 266 V HA -0.310 3.811 4.120 0.001 0.000 0.251 266 V C 2.312 178.340 176.094 -0.110 0.000 1.065 266 V CA 2.001 64.221 62.300 -0.133 0.000 1.049 266 V CB -0.380 31.390 31.823 -0.089 0.000 0.651 266 V HN 0.349 nan 8.190 nan 0.000 0.450 267 I N -1.064 119.446 120.570 -0.100 0.000 2.406 267 I HA -0.132 4.038 4.170 0.001 0.000 0.249 267 I C 2.252 178.313 176.117 -0.094 0.000 1.122 267 I CA 0.738 62.000 61.300 -0.064 0.000 1.431 267 I CB -0.289 37.685 38.000 -0.044 0.000 1.087 267 I HN 0.123 nan 8.210 nan 0.000 0.424 268 V N 1.041 120.828 119.914 -0.211 0.000 2.469 268 V HA -0.272 3.848 4.120 0.001 0.000 0.251 268 V C 2.215 178.149 176.094 -0.266 0.000 1.064 268 V CA 1.854 63.914 62.300 -0.400 0.000 1.066 268 V CB -0.833 30.581 31.823 -0.682 0.000 0.667 268 V HN 0.415 nan 8.190 nan 0.000 0.461 269 R N -0.708 119.669 120.500 -0.204 0.000 2.317 269 R HA 0.250 4.590 4.340 0.001 0.000 0.208 269 R C 1.525 177.789 176.300 -0.059 0.000 0.914 269 R CA 0.198 56.210 56.100 -0.147 0.000 1.060 269 R CB 0.023 30.187 30.300 -0.227 0.000 1.015 269 R HN 0.429 nan 8.270 nan 0.000 0.498 270 L N 0.348 121.556 121.223 -0.026 0.000 2.607 270 L HA 0.232 4.572 4.340 0.001 0.000 0.228 270 L C 0.249 177.160 176.870 0.069 0.000 1.123 270 L CA -0.079 54.774 54.840 0.021 0.000 0.890 270 L CB 0.161 42.239 42.059 0.031 0.000 1.103 270 L HN 0.098 nan 8.230 nan 0.000 0.468 271 M N 0.792 120.453 119.600 0.101 0.000 2.180 271 M HA 0.181 4.662 4.480 0.001 0.000 0.358 271 M C 0.826 177.211 176.300 0.141 0.000 1.233 271 M CA 0.028 55.432 55.300 0.174 0.000 1.114 271 M CB 1.226 34.029 32.600 0.339 0.000 1.594 271 M HN 0.108 nan 8.290 nan 0.000 0.467 272 S N 2.824 118.592 115.700 0.113 0.000 2.572 272 S HA 0.017 4.487 4.470 0.001 0.000 0.267 272 S C 0.817 175.478 174.600 0.102 0.000 1.361 272 S CA -0.079 58.178 58.200 0.095 0.000 1.009 272 S CB 0.283 63.539 63.200 0.092 0.000 0.888 272 S HN 0.676 nan 8.310 nan 0.000 0.553 273 N N 0.375 119.130 118.700 0.091 0.000 2.309 273 N HA -0.118 4.623 4.740 0.001 0.000 0.182 273 N C 1.539 177.084 175.510 0.058 0.000 1.018 273 N CA 1.540 54.639 53.050 0.080 0.000 0.876 273 N CB -0.749 37.777 38.487 0.066 0.000 0.972 273 N HN 0.827 nan 8.380 nan 0.000 0.434 274 H N 0.582 119.635 119.070 -0.029 0.000 2.299 274 H HA 0.042 4.598 4.556 0.001 0.000 0.302 274 H C 1.385 176.626 175.328 -0.145 0.000 1.078 274 H CA 1.510 57.515 56.048 -0.072 0.000 1.323 274 H CB 0.217 29.941 29.762 -0.063 0.000 1.381 274 H HN 0.117 nan 8.280 nan 0.000 0.498 275 S N 0.201 115.742 115.700 -0.265 0.000 2.365 275 S HA -0.160 4.310 4.470 0.001 0.000 0.225 275 S C 2.425 176.730 174.600 -0.493 0.000 1.039 275 S CA 1.411 59.316 58.200 -0.491 0.000 1.033 275 S CB -0.289 62.791 63.200 -0.200 0.000 0.887 275 S HN 0.407 nan 8.310 nan 0.000 0.447 276 S N 0.570 116.208 115.700 -0.102 0.000 2.383 276 S HA -0.149 4.322 4.470 0.001 0.000 0.229 276 S C 2.247 176.701 174.600 -0.243 0.000 1.030 276 S CA 1.699 59.895 58.200 -0.007 0.000 1.002 276 S CB -0.661 62.690 63.200 0.251 0.000 0.829 276 S HN 0.775 nan 8.310 nan 0.000 0.467 277 T N 1.228 115.655 114.554 -0.211 0.000 2.777 277 T HA -0.045 4.306 4.350 0.001 0.000 0.266 277 T C 1.686 176.228 174.700 -0.263 0.000 1.040 277 T CA 1.215 63.199 62.100 -0.192 0.000 1.141 277 T CB -0.202 68.598 68.868 -0.113 0.000 0.868 277 T HN 0.315 nan 8.240 nan 0.000 0.444 278 K N -0.250 119.906 120.400 -0.407 0.000 2.009 278 K HA -0.031 4.290 4.320 0.001 0.000 0.210 278 K C 2.072 178.497 176.600 -0.291 0.000 1.049 278 K CA 1.921 57.967 56.287 -0.402 0.000 0.929 278 K CB -0.446 31.699 32.500 -0.592 0.000 0.714 278 K HN 0.461 nan 8.250 nan 0.000 0.440 279 F N 0.817 120.579 119.950 -0.314 0.000 2.095 279 F HA -0.270 4.257 4.527 0.001 0.000 0.298 279 F C 2.432 177.985 175.800 -0.411 0.000 1.104 279 F CA 0.563 58.335 58.000 -0.380 0.000 1.232 279 F CB -0.526 38.102 39.000 -0.621 0.000 0.987 279 F HN -0.180 nan 8.300 nan 0.000 0.475 280 V N -0.795 118.911 119.914 -0.347 0.000 2.380 280 V HA -0.348 3.772 4.120 0.001 0.000 0.251 280 V C 2.409 178.440 176.094 -0.104 0.000 1.063 280 V CA 2.094 64.245 62.300 -0.249 0.000 1.055 280 V CB -0.786 30.902 31.823 -0.225 0.000 0.657 280 V HN 0.372 nan 8.190 nan 0.000 0.455 281 S N -0.606 115.041 115.700 -0.089 0.000 2.338 281 S HA -0.168 4.302 4.470 0.001 0.000 0.218 281 S C 2.228 176.844 174.600 0.026 0.000 1.032 281 S CA 1.528 59.710 58.200 -0.030 0.000 0.999 281 S CB -0.419 62.754 63.200 -0.044 0.000 0.905 281 S HN 0.629 nan 8.310 nan 0.000 0.439 282 A N 1.688 124.531 122.820 0.040 0.000 1.896 282 A HA -0.152 4.169 4.320 0.001 0.000 0.220 282 A C 2.233 179.894 177.584 0.129 0.000 1.206 282 A CA 2.052 54.147 52.037 0.097 0.000 0.647 282 A CB -1.207 17.883 19.000 0.150 0.000 0.828 282 A HN 0.584 nan 8.150 nan 0.000 0.455 283 L N -0.823 120.470 121.223 0.117 0.000 2.012 283 L HA -0.191 4.150 4.340 0.001 0.000 0.210 283 L C 2.579 179.566 176.870 0.195 0.000 1.073 283 L CA 1.330 56.267 54.840 0.161 0.000 0.748 283 L CB -0.603 41.508 42.059 0.087 0.000 0.891 283 L HN 0.279 nan 8.230 nan 0.000 0.431 284 V N -1.088 118.907 119.914 0.135 0.000 2.287 284 V HA -0.310 3.810 4.120 0.001 0.000 0.248 284 V C 2.614 178.871 176.094 0.271 0.000 1.053 284 V CA 2.074 64.494 62.300 0.199 0.000 1.027 284 V CB -0.416 31.481 31.823 0.123 0.000 0.646 284 V HN 0.374 nan 8.190 nan 0.000 0.447 285 S N -0.531 115.280 115.700 0.185 0.000 2.374 285 S HA -0.281 4.190 4.470 0.001 0.000 0.227 285 S C 2.041 176.754 174.600 0.189 0.000 1.037 285 S CA 2.150 60.449 58.200 0.164 0.000 1.024 285 S CB -0.322 62.944 63.200 0.111 0.000 0.861 285 S HN 0.576 nan 8.310 nan 0.000 0.456 286 K N 1.000 121.527 120.400 0.212 0.000 2.097 286 K HA -0.008 4.313 4.320 0.001 0.000 0.205 286 K C 1.672 178.448 176.600 0.294 0.000 1.050 286 K CA 1.193 57.611 56.287 0.218 0.000 0.938 286 K CB -0.618 32.022 32.500 0.233 0.000 0.718 286 K HN 0.336 nan 8.250 nan 0.000 0.442 287 F N 0.554 120.621 119.950 0.195 0.000 2.171 287 F HA -0.020 4.507 4.527 0.001 0.000 0.300 287 F C 1.787 177.740 175.800 0.255 0.000 1.090 287 F CA 1.454 59.587 58.000 0.221 0.000 1.293 287 F CB -0.409 38.687 39.000 0.159 0.000 1.013 287 F HN 0.096 nan 8.300 nan 0.000 0.486 288 A N -0.762 122.203 122.820 0.242 0.000 1.970 288 A HA -0.120 4.200 4.320 0.001 0.000 0.216 288 A C 0.999 178.629 177.584 0.077 0.000 1.170 288 A CA 1.286 53.390 52.037 0.112 0.000 0.645 288 A CB -0.767 18.332 19.000 0.165 0.000 0.816 288 A HN 0.440 nan 8.150 nan 0.000 0.447 289 D N -0.569 119.895 120.400 0.107 0.000 2.943 289 D HA 0.272 4.912 4.640 0.001 0.000 0.249 289 D C -0.476 175.868 176.300 0.073 0.000 1.231 289 D CA -0.555 53.483 54.000 0.064 0.000 0.979 289 D CB -0.590 40.240 40.800 0.050 0.000 1.053 289 D HN 0.230 nan 8.370 nan 0.000 0.504 290 F N 1.401 121.274 119.950 -0.128 0.000 2.371 290 F HA 0.395 4.923 4.527 0.001 0.000 0.363 290 F C 0.300 175.997 175.800 -0.172 0.000 1.122 290 F CA -0.282 57.614 58.000 -0.173 0.000 1.129 290 F CB 1.246 40.037 39.000 -0.348 0.000 1.173 290 F HN 0.007 nan 8.300 nan 0.000 0.489 291 T N 1.701 116.031 114.554 -0.374 0.000 3.125 291 T HA 0.089 4.439 4.350 0.001 0.000 0.252 291 T C -0.208 174.300 174.700 -0.319 0.000 0.981 291 T CA 0.047 61.900 62.100 -0.411 0.000 1.069 291 T CB -0.083 68.665 68.868 -0.201 0.000 1.091 291 T HN 0.516 nan 8.240 nan 0.000 0.460 292 D N 1.672 121.997 120.400 -0.124 0.000 2.317 292 D HA 0.229 4.870 4.640 0.001 0.000 0.234 292 D C 0.867 177.216 176.300 0.081 0.000 1.112 292 D CA -0.095 53.885 54.000 -0.034 0.000 0.840 292 D CB 2.073 42.868 40.800 -0.008 0.000 1.078 292 D HN 0.124 nan 8.370 nan 0.000 0.486 293 E N 3.431 123.678 120.200 0.078 0.000 2.058 293 E HA -0.233 4.117 4.350 0.001 0.000 0.194 293 E C 1.488 178.187 176.600 0.165 0.000 0.997 293 E CA 1.645 58.149 56.400 0.174 0.000 0.801 293 E CB 0.010 29.778 29.700 0.113 0.000 0.746 293 E HN 0.678 nan 8.360 nan 0.000 0.450 294 E N -0.628 119.640 120.200 0.114 0.000 2.110 294 E HA -0.146 4.205 4.350 0.001 0.000 0.193 294 E C 1.949 178.645 176.600 0.161 0.000 0.988 294 E CA 1.384 57.854 56.400 0.117 0.000 0.804 294 E CB 0.069 29.818 29.700 0.081 0.000 0.745 294 E HN 0.233 nan 8.360 nan 0.000 0.458 295 V N 0.965 120.971 119.914 0.153 0.000 2.548 295 V HA -0.179 3.942 4.120 0.001 0.000 0.249 295 V C 1.825 178.106 176.094 0.311 0.000 1.055 295 V CA 1.969 64.385 62.300 0.194 0.000 1.065 295 V CB -0.413 31.438 31.823 0.046 0.000 0.681 295 V HN 0.305 nan 8.190 nan 0.000 0.462 296 D N -0.350 120.226 120.400 0.295 0.000 2.178 296 D HA -0.138 4.503 4.640 0.001 0.000 0.202 296 D C 2.203 178.683 176.300 0.300 0.000 0.974 296 D CA 1.512 55.719 54.000 0.345 0.000 0.841 296 D CB 0.064 41.099 40.800 0.391 0.000 0.953 296 D HN 0.345 nan 8.370 nan 0.000 0.478 297 T N -0.010 114.691 114.554 0.245 0.000 2.674 297 T HA -0.118 4.232 4.350 0.001 0.000 0.265 297 T C 1.800 176.601 174.700 0.169 0.000 1.039 297 T CA 0.957 63.171 62.100 0.190 0.000 1.150 297 T CB -0.102 68.858 68.868 0.154 0.000 0.864 297 T HN 0.149 nan 8.240 nan 0.000 0.427 298 K N 0.626 121.150 120.400 0.206 0.000 2.103 298 K HA -0.086 4.235 4.320 0.001 0.000 0.207 298 K C 2.499 179.077 176.600 -0.036 0.000 1.048 298 K CA 1.401 57.753 56.287 0.108 0.000 0.930 298 K CB -0.472 32.188 32.500 0.267 0.000 0.716 298 K HN 0.319 nan 8.250 nan 0.000 0.444 299 T N 1.053 115.746 114.554 0.232 0.000 2.737 299 T HA -0.140 4.211 4.350 0.001 0.000 0.265 299 T C 2.200 176.992 174.700 0.153 0.000 1.038 299 T CA 1.150 63.395 62.100 0.242 0.000 1.144 299 T CB -0.390 68.767 68.868 0.481 0.000 0.866 299 T HN 0.282 nan 8.240 nan 0.000 0.434 300 C N 1.986 121.404 119.300 0.197 0.000 2.425 300 C HA -0.082 4.379 4.460 0.001 0.000 0.277 300 C C 2.851 177.892 174.990 0.084 0.000 1.280 300 C CA 1.039 60.146 59.018 0.149 0.000 1.744 300 C CB -1.110 26.745 27.740 0.191 0.000 1.989 300 C HN 0.767 nan 8.230 nan 0.000 0.491 301 E N 0.548 120.779 120.200 0.051 0.000 2.112 301 E HA -0.105 4.245 4.350 0.001 0.000 0.190 301 E C 2.004 178.603 176.600 -0.001 0.000 0.979 301 E CA 0.827 57.237 56.400 0.017 0.000 0.814 301 E CB -0.529 29.164 29.700 -0.013 0.000 0.762 301 E HN 0.569 nan 8.360 nan 0.000 0.460 302 L N 0.738 121.938 121.223 -0.038 0.000 2.042 302 L HA -0.181 4.159 4.340 0.001 0.000 0.210 302 L C 2.690 179.669 176.870 0.181 0.000 1.076 302 L CA 0.990 55.839 54.840 0.015 0.000 0.749 302 L CB -0.370 41.632 42.059 -0.097 0.000 0.893 302 L HN 0.266 nan 8.230 nan 0.000 0.432 303 L N -0.982 120.306 121.223 0.108 0.000 1.943 303 L HA -0.289 4.052 4.340 0.001 0.000 0.215 303 L C 2.555 179.474 176.870 0.082 0.000 1.074 303 L CA 1.443 56.333 54.840 0.083 0.000 0.759 303 L CB -0.461 41.576 42.059 -0.035 0.000 0.888 303 L HN -0.006 nan 8.230 nan 0.000 0.433 304 V N 0.178 120.122 119.914 0.051 0.000 2.277 304 V HA -0.402 3.718 4.120 0.001 0.000 0.253 304 V C 2.404 178.507 176.094 0.015 0.000 1.067 304 V CA 2.237 64.567 62.300 0.049 0.000 1.047 304 V CB -0.433 31.459 31.823 0.115 0.000 0.649 304 V HN 0.342 nan 8.190 nan 0.000 0.447 305 L N -1.751 119.486 121.223 0.024 0.000 1.956 305 L HA -0.231 4.110 4.340 0.001 0.000 0.216 305 L C 2.366 179.224 176.870 -0.020 0.000 1.073 305 L CA 2.212 57.049 54.840 -0.005 0.000 0.762 305 L CB -0.676 41.330 42.059 -0.088 0.000 0.889 305 L HN 0.254 nan 8.230 nan 0.000 0.433 306 F N -0.318 119.648 119.950 0.026 0.000 2.095 306 F HA -0.266 4.261 4.527 0.001 0.000 0.298 306 F C 2.629 178.417 175.800 -0.020 0.000 1.104 306 F CA 1.356 59.372 58.000 0.027 0.000 1.232 306 F CB -0.726 38.288 39.000 0.024 0.000 0.987 306 F HN 0.055 nan 8.300 nan 0.000 0.475 307 A N -0.486 122.411 122.820 0.130 0.000 1.940 307 A HA -0.154 4.167 4.320 0.001 0.000 0.219 307 A C 2.343 179.897 177.584 -0.050 0.000 1.176 307 A CA 2.037 54.072 52.037 -0.004 0.000 0.631 307 A CB -1.170 17.781 19.000 -0.083 0.000 0.814 307 A HN 0.228 nan 8.150 nan 0.000 0.446 308 V N -1.234 118.617 119.914 -0.104 0.000 2.379 308 V HA -0.162 3.958 4.120 0.001 0.000 0.243 308 V C 2.209 178.154 176.094 -0.247 0.000 1.035 308 V CA 2.238 64.399 62.300 -0.230 0.000 1.035 308 V CB -0.687 30.907 31.823 -0.380 0.000 0.673 308 V HN 0.775 nan 8.190 nan 0.000 0.457 309 H N -0.866 118.187 119.070 -0.028 0.000 2.520 309 H HA 0.117 4.674 4.556 0.001 0.000 0.279 309 H C 1.606 176.928 175.328 -0.010 0.000 0.990 309 H CA 1.045 57.070 56.048 -0.040 0.000 1.288 309 H CB 0.322 30.029 29.762 -0.091 0.000 1.446 309 H HN 0.338 nan 8.280 nan 0.000 0.538 310 N N -0.302 118.478 118.700 0.133 0.000 2.227 310 N HA 0.149 4.889 4.740 0.001 0.000 0.196 310 N C -0.502 175.073 175.510 0.108 0.000 1.142 310 N CA 0.150 53.284 53.050 0.141 0.000 0.887 310 N CB 1.222 39.850 38.487 0.236 0.000 1.022 310 N HN 0.128 nan 8.380 nan 0.000 0.500 311 L N 1.095 122.363 121.223 0.074 0.000 2.331 311 L HA 0.425 4.765 4.340 0.001 0.000 0.275 311 L C 0.115 176.993 176.870 0.013 0.000 1.022 311 L CA -1.024 53.835 54.840 0.032 0.000 0.812 311 L CB 1.072 43.132 42.059 0.001 0.000 1.257 311 L HN -0.051 nan 8.230 nan 0.000 0.435 312 N N 0.100 118.805 118.700 0.007 0.000 2.294 312 N HA -0.026 4.714 4.740 0.001 0.000 0.248 312 N C 0.919 176.441 175.510 0.019 0.000 1.300 312 N CA -0.393 52.669 53.050 0.021 0.000 0.925 312 N CB 0.291 38.792 38.487 0.023 0.000 1.188 312 N HN 0.673 nan 8.380 nan 0.000 0.512 313 H N 0.139 119.185 119.070 -0.040 0.000 2.387 313 H HA -0.145 4.411 4.556 0.001 0.000 0.299 313 H C 1.570 176.862 175.328 -0.060 0.000 1.099 313 H CA 2.189 58.206 56.048 -0.052 0.000 1.315 313 H CB 0.376 30.113 29.762 -0.041 0.000 1.380 313 H HN 0.623 nan 8.280 nan 0.000 0.513 314 S N 0.364 115.971 115.700 -0.155 0.000 2.377 314 S HA -0.141 4.330 4.470 0.001 0.000 0.223 314 S C 2.056 176.543 174.600 -0.189 0.000 1.030 314 S CA 0.795 58.869 58.200 -0.210 0.000 0.970 314 S CB -0.309 62.851 63.200 -0.066 0.000 0.830 314 S HN 0.603 nan 8.310 nan 0.000 0.473 315 Q N 1.112 120.839 119.800 -0.123 0.000 2.135 315 Q HA -0.060 4.280 4.340 0.001 0.000 0.204 315 Q C 2.424 178.321 176.000 -0.171 0.000 0.981 315 Q CA 1.167 56.903 55.803 -0.113 0.000 0.856 315 Q CB -0.367 28.330 28.738 -0.070 0.000 0.902 315 Q HN 0.527 nan 8.270 nan 0.000 0.425 316 R N 0.928 121.308 120.500 -0.200 0.000 2.081 316 R HA -0.155 4.185 4.340 0.001 0.000 0.235 316 R C 2.195 178.290 176.300 -0.341 0.000 1.131 316 R CA 1.487 57.436 56.100 -0.251 0.000 0.960 316 R CB -0.014 30.156 30.300 -0.216 0.000 0.856 316 R HN 0.363 nan 8.270 nan 0.000 0.436 317 E N 0.287 120.253 120.200 -0.389 0.000 2.208 317 E HA -0.183 4.167 4.350 0.001 0.000 0.193 317 E C 1.444 177.779 176.600 -0.441 0.000 0.988 317 E CA 0.892 57.018 56.400 -0.457 0.000 0.828 317 E CB 0.211 29.634 29.700 -0.463 0.000 0.763 317 E HN 0.373 nan 8.360 nan 0.000 0.478 318 E N 0.434 120.476 120.200 -0.263 0.000 2.051 318 E HA -0.195 4.155 4.350 0.001 0.000 0.192 318 E C 2.181 178.684 176.600 -0.162 0.000 0.991 318 E CA 1.328 57.642 56.400 -0.144 0.000 0.799 318 E CB -0.081 29.566 29.700 -0.088 0.000 0.748 318 E HN 0.367 nan 8.360 nan 0.000 0.449 319 I N 1.144 121.572 120.570 -0.238 0.000 2.208 319 I HA -0.291 3.879 4.170 0.001 0.000 0.245 319 I C 2.552 178.445 176.117 -0.374 0.000 1.097 319 I CA 1.003 62.130 61.300 -0.289 0.000 1.363 319 I CB -0.485 37.267 38.000 -0.415 0.000 1.051 319 I HN 0.084 nan 8.210 nan 0.000 0.413 320 A N -0.090 122.433 122.820 -0.495 0.000 2.076 320 A HA -0.231 4.089 4.320 0.001 0.000 0.220 320 A C 1.812 179.368 177.584 -0.048 0.000 1.160 320 A CA 1.677 53.477 52.037 -0.396 0.000 0.653 320 A CB -1.059 17.675 19.000 -0.444 0.000 0.801 320 A HN 0.608 nan 8.150 nan 0.000 0.455 321 H N -1.756 117.323 119.070 0.015 0.000 2.652 321 H HA 0.118 4.674 4.556 0.001 0.000 0.274 321 H C -0.176 175.198 175.328 0.076 0.000 1.021 321 H CA -0.568 55.513 56.048 0.055 0.000 1.187 321 H CB 0.428 30.196 29.762 0.010 0.000 1.505 321 H HN 0.346 nan 8.280 nan 0.000 0.530 322 D N 1.663 122.176 120.400 0.187 0.000 2.458 322 D HA -0.071 4.569 4.640 0.001 0.000 0.243 322 D C 0.905 177.324 176.300 0.198 0.000 1.146 322 D CA 0.418 54.516 54.000 0.164 0.000 0.877 322 D CB 0.995 41.880 40.800 0.142 0.000 1.176 322 D HN 0.420 nan 8.370 nan 0.000 0.461 323 E N 2.966 123.249 120.200 0.138 0.000 2.085 323 E HA -0.226 4.125 4.350 0.001 0.000 0.194 323 E C 1.854 178.530 176.600 0.127 0.000 0.994 323 E CA 0.991 57.459 56.400 0.115 0.000 0.801 323 E CB 0.271 30.017 29.700 0.077 0.000 0.743 323 E HN 0.420 nan 8.360 nan 0.000 0.453 324 R N -0.079 120.507 120.500 0.143 0.000 2.097 324 R HA -0.181 4.159 4.340 0.001 0.000 0.236 324 R C 2.208 178.651 176.300 0.239 0.000 1.135 324 R CA 1.891 58.090 56.100 0.166 0.000 0.934 324 R CB -0.532 29.867 30.300 0.166 0.000 0.846 324 R HN 0.197 nan 8.270 nan 0.000 0.431 325 F N 1.094 121.124 119.950 0.133 0.000 2.095 325 F HA -0.197 4.330 4.527 0.001 0.000 0.298 325 F C 1.828 177.742 175.800 0.190 0.000 1.104 325 F CA 1.446 59.548 58.000 0.170 0.000 1.232 325 F CB -0.132 38.886 39.000 0.030 0.000 0.987 325 F HN -0.058 nan 8.300 nan 0.000 0.475 326 L N 0.358 121.639 121.223 0.097 0.000 2.042 326 L HA -0.283 4.058 4.340 0.001 0.000 0.210 326 L C 2.231 179.064 176.870 -0.062 0.000 1.076 326 L CA 1.939 56.768 54.840 -0.020 0.000 0.749 326 L CB -0.955 41.163 42.059 0.098 0.000 0.893 326 L HN 0.295 nan 8.230 nan 0.000 0.432 327 N N 0.269 118.971 118.700 0.003 0.000 2.142 327 N HA -0.128 4.612 4.740 0.001 0.000 0.186 327 N C 1.887 177.380 175.510 -0.029 0.000 1.023 327 N CA 1.413 54.462 53.050 -0.001 0.000 0.852 327 N CB -0.302 38.202 38.487 0.029 0.000 0.998 327 N HN 0.181 nan 8.380 nan 0.000 0.424 328 G N 0.021 108.810 108.800 -0.019 0.000 2.475 328 G HA2 -0.217 3.744 3.960 0.001 0.000 0.220 328 G HA3 -0.217 3.744 3.960 0.001 0.000 0.220 328 G C 1.532 176.298 174.900 -0.223 0.000 1.125 328 G CA 1.128 46.148 45.100 -0.135 0.000 0.755 328 G HN 0.263 nan 8.290 nan 0.000 0.565 329 V N 0.819 120.605 119.914 -0.212 0.000 2.358 329 V HA -0.162 3.958 4.120 0.001 0.000 0.246 329 V C 3.155 179.186 176.094 -0.104 0.000 1.047 329 V CA 2.330 64.497 62.300 -0.222 0.000 1.035 329 V CB -0.739 30.886 31.823 -0.329 0.000 0.658 329 V HN 0.406 nan 8.190 nan 0.000 0.452 330 T N -0.375 114.134 114.554 -0.076 0.000 2.788 330 T HA -0.196 4.154 4.350 0.001 0.000 0.268 330 T C 1.881 176.575 174.700 -0.011 0.000 1.044 330 T CA 1.368 63.446 62.100 -0.036 0.000 1.139 330 T CB -0.196 68.658 68.868 -0.024 0.000 0.867 330 T HN 0.478 nan 8.240 nan 0.000 0.454 331 K N -0.013 120.387 120.400 0.001 0.000 2.148 331 K HA -0.063 4.258 4.320 0.001 0.000 0.204 331 K C 2.178 178.824 176.600 0.077 0.000 1.050 331 K CA 1.065 57.374 56.287 0.036 0.000 0.942 331 K CB -0.170 32.363 32.500 0.056 0.000 0.724 331 K HN 0.432 nan 8.250 nan 0.000 0.446 332 H N 0.703 119.699 119.070 -0.124 0.000 2.423 332 H HA 0.011 4.568 4.556 0.001 0.000 0.297 332 H C 1.842 177.117 175.328 -0.088 0.000 1.075 332 H CA 1.020 56.942 56.048 -0.209 0.000 1.342 332 H CB -0.015 29.473 29.762 -0.457 0.000 1.395 332 H HN 0.020 nan 8.280 nan 0.000 0.530 333 L N -0.788 120.447 121.223 0.020 0.000 2.141 333 L HA -0.041 4.299 4.340 0.001 0.000 0.209 333 L C 2.426 179.300 176.870 0.007 0.000 1.094 333 L CA 1.002 55.836 54.840 -0.011 0.000 0.763 333 L CB -0.382 41.659 42.059 -0.031 0.000 0.908 333 L HN 0.366 nan 8.230 nan 0.000 0.437 334 G N -1.144 107.666 108.800 0.016 0.000 2.776 334 G HA2 -0.126 3.835 3.960 0.001 0.000 0.209 334 G HA3 -0.126 3.835 3.960 0.001 0.000 0.209 334 G C 0.823 175.730 174.900 0.011 0.000 1.145 334 G CA 0.070 45.175 45.100 0.007 0.000 0.791 334 G HN 0.238 nan 8.290 nan 0.000 0.530 335 S N -0.272 115.455 115.700 0.045 0.000 2.593 335 S HA 0.162 4.633 4.470 0.001 0.000 0.269 335 S C 1.223 175.836 174.600 0.022 0.000 1.334 335 S CA -0.560 57.672 58.200 0.054 0.000 1.015 335 S CB 0.633 63.918 63.200 0.142 0.000 0.912 335 S HN 0.238 nan 8.310 nan 0.000 0.541 336 N N 1.408 120.115 118.700 0.011 0.000 2.254 336 N HA 0.092 4.832 4.740 0.001 0.000 0.190 336 N C -0.511 175.007 175.510 0.013 0.000 1.107 336 N CA 0.094 53.147 53.050 0.006 0.000 0.869 336 N CB 0.182 38.666 38.487 -0.006 0.000 0.983 336 N HN 0.595 nan 8.380 nan 0.000 0.487 337 E N 1.631 121.847 120.200 0.028 0.000 2.104 337 E HA 0.059 4.409 4.350 0.001 0.000 0.278 337 E C 1.214 177.824 176.600 0.016 0.000 1.127 337 E CA -0.100 56.320 56.400 0.033 0.000 0.897 337 E CB 0.419 30.157 29.700 0.064 0.000 1.043 337 E HN 0.041 nan 8.360 nan 0.000 0.410 338 R N 3.422 123.925 120.500 0.004 0.000 2.103 338 R HA -0.277 4.063 4.340 0.001 0.000 0.242 338 R C 1.419 177.675 176.300 -0.074 0.000 1.142 338 R CA 2.023 58.113 56.100 -0.017 0.000 0.960 338 R CB 0.087 30.386 30.300 -0.002 0.000 0.858 338 R HN 0.555 nan 8.270 nan 0.000 0.439 339 E N 0.122 120.289 120.200 -0.055 0.000 2.049 339 E HA -0.218 4.133 4.350 0.001 0.000 0.198 339 E C 1.765 178.270 176.600 -0.158 0.000 1.007 339 E CA 2.032 58.367 56.400 -0.109 0.000 0.809 339 E CB -0.309 29.406 29.700 0.025 0.000 0.749 339 E HN 0.472 nan 8.360 nan 0.000 0.450 340 A N 0.355 123.151 122.820 -0.039 0.000 1.917 340 A HA -0.259 4.061 4.320 0.001 0.000 0.219 340 A C 2.213 179.772 177.584 -0.041 0.000 1.182 340 A CA 1.999 54.027 52.037 -0.014 0.000 0.633 340 A CB -0.604 18.415 19.000 0.031 0.000 0.819 340 A HN 0.200 nan 8.150 nan 0.000 0.448 341 R N -0.375 120.081 120.500 -0.074 0.000 2.097 341 R HA -0.142 4.198 4.340 0.001 0.000 0.236 341 R C 2.307 178.476 176.300 -0.217 0.000 1.135 341 R CA 1.784 57.819 56.100 -0.109 0.000 0.934 341 R CB -0.304 29.949 30.300 -0.079 0.000 0.846 341 R HN 0.578 nan 8.270 nan 0.000 0.431 342 E N 0.221 120.223 120.200 -0.330 0.000 2.070 342 E HA -0.253 4.098 4.350 0.001 0.000 0.197 342 E C 2.067 178.405 176.600 -0.437 0.000 1.004 342 E CA 1.188 57.265 56.400 -0.539 0.000 0.805 342 E CB -0.290 28.681 29.700 -1.214 0.000 0.744 342 E HN 0.316 nan 8.360 nan 0.000 0.451 343 R N 0.363 120.631 120.500 -0.388 0.000 2.133 343 R HA -0.225 4.116 4.340 0.001 0.000 0.245 343 R C 2.376 178.726 176.300 0.084 0.000 1.137 343 R CA 1.823 57.943 56.100 0.033 0.000 0.947 343 R CB -0.406 29.944 30.300 0.084 0.000 0.865 343 R HN 0.196 nan 8.270 nan 0.000 0.437 344 A N 0.647 123.434 122.820 -0.054 0.000 1.835 344 A HA -0.189 4.132 4.320 0.001 0.000 0.215 344 A C 2.090 179.649 177.584 -0.041 0.000 1.199 344 A CA 1.490 53.492 52.037 -0.059 0.000 0.615 344 A CB -0.444 18.455 19.000 -0.169 0.000 0.838 344 A HN 0.151 nan 8.150 nan 0.000 0.444 345 M N -1.345 118.156 119.600 -0.165 0.000 2.143 345 M HA -0.176 4.304 4.480 0.001 0.000 0.258 345 M C 2.003 178.284 176.300 -0.031 0.000 1.071 345 M CA 1.366 56.524 55.300 -0.237 0.000 1.088 345 M CB -1.696 30.471 32.600 -0.722 0.000 1.360 345 M HN 0.585 nan 8.290 nan 0.000 0.404 346 F N 0.807 120.745 119.950 -0.020 0.000 2.060 346 F HA -0.139 4.388 4.527 0.001 0.000 0.295 346 F C 2.233 178.042 175.800 0.014 0.000 1.120 346 F CA 1.505 59.549 58.000 0.074 0.000 1.205 346 F CB -0.297 38.849 39.000 0.243 0.000 0.986 346 F HN -0.017 nan 8.300 nan 0.000 0.470 347 I N 0.536 121.171 120.570 0.107 0.000 2.399 347 I HA -0.353 3.818 4.170 0.001 0.000 0.254 347 I C 2.515 178.575 176.117 -0.094 0.000 1.146 347 I CA 1.164 62.432 61.300 -0.054 0.000 1.412 347 I CB -0.770 37.232 38.000 0.003 0.000 1.076 347 I HN 0.340 nan 8.210 nan 0.000 0.432 348 A N 0.447 123.284 122.820 0.028 0.000 1.930 348 A HA -0.136 4.185 4.320 0.001 0.000 0.215 348 A C 2.307 179.826 177.584 -0.107 0.000 1.176 348 A CA 1.063 53.175 52.037 0.126 0.000 0.632 348 A CB -0.258 18.844 19.000 0.170 0.000 0.819 348 A HN 0.260 nan 8.150 nan 0.000 0.445 349 K N -0.701 119.502 120.400 -0.328 0.000 2.097 349 K HA -0.084 4.236 4.320 0.001 0.000 0.206 349 K C 1.860 178.276 176.600 -0.305 0.000 1.049 349 K CA 1.362 57.353 56.287 -0.494 0.000 0.933 349 K CB -0.311 31.901 32.500 -0.480 0.000 0.717 349 K HN 0.418 nan 8.250 nan 0.000 0.442 350 L N 1.017 121.991 121.223 -0.415 0.000 2.201 350 L HA -0.107 4.233 4.340 0.001 0.000 0.212 350 L C 1.688 178.413 176.870 -0.241 0.000 1.105 350 L CA 1.403 56.011 54.840 -0.387 0.000 0.775 350 L CB 0.009 41.754 42.059 -0.522 0.000 0.913 350 L HN 0.108 nan 8.230 nan 0.000 0.440 351 L N -1.816 119.263 121.223 -0.240 0.000 2.249 351 L HA 0.144 4.485 4.340 0.001 0.000 0.207 351 L C 1.037 177.788 176.870 -0.197 0.000 1.090 351 L CA 0.567 55.248 54.840 -0.266 0.000 0.802 351 L CB -0.107 41.689 42.059 -0.438 0.000 0.947 351 L HN 0.379 nan 8.230 nan 0.000 0.453 352 S N -1.788 113.860 115.700 -0.086 0.000 2.625 352 S HA 0.493 4.964 4.470 0.001 0.000 0.271 352 S C 0.398 175.083 174.600 0.142 0.000 1.161 352 S CA -0.074 58.109 58.200 -0.028 0.000 0.820 352 S CB 1.500 64.634 63.200 -0.110 0.000 1.137 352 S HN 0.073 nan 8.310 nan 0.000 0.470 353 G N 0.034 108.892 108.800 0.096 0.000 2.683 353 G HA2 0.369 4.329 3.960 0.001 0.000 0.213 353 G HA3 0.369 4.329 3.960 0.001 0.000 0.213 353 G C 0.612 175.369 174.900 -0.239 0.000 1.142 353 G CA 0.228 45.359 45.100 0.051 0.000 0.793 353 G HN 1.155 nan 8.290 nan 0.000 0.534 354 G N 0.239 108.941 108.800 -0.164 0.000 2.873 354 G HA2 0.534 4.495 3.960 0.001 0.000 0.340 354 G HA3 0.534 4.495 3.960 0.001 0.000 0.340 354 G C 0.323 175.157 174.900 -0.111 0.000 1.171 354 G CA -0.317 44.655 45.100 -0.213 0.000 1.113 354 G HN 0.489 nan 8.290 nan 0.000 0.471 355 H N 1.167 120.279 119.070 0.070 0.000 2.998 355 H HA 0.284 4.841 4.556 0.001 0.000 0.223 355 H C -0.058 175.312 175.328 0.070 0.000 0.906 355 H CA -0.226 55.868 56.048 0.077 0.000 1.014 355 H CB 1.150 30.948 29.762 0.060 0.000 1.389 355 H HN 0.649 nan 8.280 nan 0.000 0.467 356 L N 2.300 123.693 121.223 0.283 0.000 5.618 356 L HA -0.027 4.314 4.340 0.001 0.000 0.298 356 L C -1.356 175.771 176.870 0.429 0.000 1.254 356 L CA -0.192 54.804 54.840 0.260 0.000 0.771 356 L CB -0.203 41.961 42.059 0.175 0.000 1.508 356 L HN 0.275 nan 8.230 nan 0.000 0.427 357 K N 4.191 124.774 120.400 0.305 0.000 2.527 357 K HA 0.365 4.685 4.320 0.001 0.000 0.278 357 K C -0.741 176.049 176.600 0.316 0.000 0.981 357 K CA 0.357 56.829 56.287 0.310 0.000 1.009 357 K CB 0.388 32.990 32.500 0.170 0.000 0.895 357 K HN 0.512 nan 8.250 nan 0.000 0.493 358 Y N 1.069 121.427 120.300 0.098 0.000 2.241 358 Y HA 0.054 4.604 4.550 0.001 0.000 0.320 358 Y C -1.433 174.494 175.900 0.045 0.000 1.206 358 Y CA -0.428 57.705 58.100 0.055 0.000 1.370 358 Y CB 0.832 39.313 38.460 0.035 0.000 1.257 358 Y HN 0.606 nan 8.280 nan 0.000 0.403 359 E N 3.984 124.015 120.200 -0.281 0.000 2.217 359 E HA 0.502 4.852 4.350 0.001 0.000 0.279 359 E C -0.475 175.953 176.600 -0.286 0.000 1.068 359 E CA -0.075 56.213 56.400 -0.188 0.000 0.882 359 E CB 0.942 30.574 29.700 -0.114 0.000 1.039 359 E HN 0.547 nan 8.360 nan 0.000 0.418 360 S N 1.851 117.514 115.700 -0.062 0.000 2.552 360 S HA 0.187 4.657 4.470 0.001 0.000 0.272 360 S C -0.389 174.296 174.600 0.141 0.000 1.150 360 S CA -0.954 57.265 58.200 0.031 0.000 0.849 360 S CB 1.444 64.700 63.200 0.093 0.000 1.113 360 S HN 0.272 nan 8.310 nan 0.000 0.458 361 D N 0.551 121.027 120.400 0.127 0.000 2.349 361 D HA 0.180 4.821 4.640 0.001 0.000 0.224 361 D C 0.236 176.617 176.300 0.136 0.000 1.029 361 D CA 0.071 54.137 54.000 0.111 0.000 0.879 361 D CB -0.227 40.608 40.800 0.058 0.000 0.906 361 D HN 0.517 nan 8.370 nan 0.000 0.528 362 F N 2.753 122.743 119.950 0.067 0.000 2.607 362 F HA -0.011 4.517 4.527 0.001 0.000 0.374 362 F C 0.810 176.579 175.800 -0.053 0.000 1.104 362 F CA 0.209 58.218 58.000 0.015 0.000 1.296 362 F CB 0.340 39.374 39.000 0.058 0.000 1.085 362 F HN -0.214 nan 8.300 nan 0.000 0.584 363 K N 5.933 125.766 120.400 -0.946 0.000 2.469 363 K HA 0.623 4.944 4.320 0.001 0.000 0.268 363 K C -1.602 174.086 176.600 -1.521 0.000 1.027 363 K CA -1.031 54.503 56.287 -1.255 0.000 0.893 363 K CB 1.958 34.164 32.500 -0.490 0.000 1.460 363 K HN 0.521 nan 8.250 nan 0.000 0.449 364 I N 1.693 121.353 120.570 -1.516 0.000 2.354 364 I HA 0.175 4.345 4.170 0.001 0.000 0.292 364 I C -0.614 175.278 176.117 -0.374 0.000 0.989 364 I CA -1.012 59.867 61.300 -0.701 0.000 1.188 364 I CB 1.380 39.145 38.000 -0.392 0.000 1.342 364 I HN 0.425 nan 8.210 nan 0.000 0.457 365 N N 7.432 125.975 118.700 -0.262 0.000 2.868 365 N HA 0.270 5.010 4.740 0.001 0.000 0.252 365 N C -0.231 175.229 175.510 -0.083 0.000 1.130 365 N CA -0.191 52.765 53.050 -0.156 0.000 1.026 365 N CB 0.868 39.267 38.487 -0.146 0.000 1.335 365 N HN 0.581 nan 8.380 nan 0.000 0.516 366 I N 2.514 123.058 120.570 -0.044 0.000 2.710 366 I HA 0.011 4.182 4.170 0.001 0.000 0.286 366 I C -1.077 175.044 176.117 0.007 0.000 1.181 366 I CA -1.204 60.095 61.300 -0.002 0.000 1.430 366 I CB 0.984 38.995 38.000 0.019 0.000 1.367 366 I HN 0.295 nan 8.210 nan 0.000 0.577 367 P HA -0.186 nan 4.420 nan 0.000 0.207 367 P C -0.560 176.756 177.300 0.027 0.000 0.926 367 P CA 1.086 64.187 63.100 0.002 0.000 0.982 367 P CB 0.090 31.781 31.700 -0.016 0.000 0.686 368 N N -3.729 115.003 118.700 0.053 0.000 3.848 368 N HA -0.055 4.685 4.740 0.001 0.000 0.271 368 N C -1.787 173.730 175.510 0.012 0.000 0.986 368 N CA 0.088 53.182 53.050 0.073 0.000 0.684 368 N CB -1.470 37.053 38.487 0.061 0.000 1.328 368 N HN -0.142 nan 8.380 nan 0.000 0.605 369 V N 1.699 121.597 119.914 -0.026 0.000 2.555 369 V HA 0.551 4.671 4.120 0.001 0.000 0.302 369 V C 0.721 176.788 176.094 -0.046 0.000 1.038 369 V CA -0.585 61.690 62.300 -0.042 0.000 0.887 369 V CB 2.189 33.975 31.823 -0.062 0.000 0.991 369 V HN 0.229 nan 8.190 nan 0.000 0.434 376 D N 0.838 121.215 120.400 -0.038 0.000 2.375 376 D HA 0.244 4.885 4.640 0.001 0.000 0.241 376 D C -1.056 175.228 176.300 -0.026 0.000 1.361 376 D CA -0.359 53.624 54.000 -0.028 0.000 0.995 376 D CB 0.796 41.581 40.800 -0.024 0.000 1.312 376 D HN 0.410 nan 8.370 nan 0.000 0.576 377 D N 2.567 122.955 120.400 -0.020 0.000 8.267 377 D HA -0.239 4.401 4.640 0.001 0.000 0.138 377 D C 0.490 176.789 176.300 -0.003 0.000 1.262 377 D CA 1.246 55.240 54.000 -0.010 0.000 0.885 377 D CB 0.001 40.799 40.800 -0.003 0.000 1.723 377 D HN 0.645 nan 8.370 nan 0.000 0.984 378 K N -0.420 119.976 120.400 -0.007 0.000 3.533 378 K HA -0.215 4.106 4.320 0.001 0.000 0.289 378 K C 0.347 176.954 176.600 0.012 0.000 1.317 378 K CA 0.624 56.924 56.287 0.022 0.000 0.967 378 K CB -1.496 31.036 32.500 0.054 0.000 1.323 378 K HN 0.438 nan 8.250 nan 0.000 0.477 379 I N 2.767 123.322 120.570 -0.025 0.000 2.281 379 I HA 0.267 4.437 4.170 0.001 0.000 0.293 379 I C 0.306 176.349 176.117 -0.124 0.000 1.085 379 I CA -0.346 60.928 61.300 -0.044 0.000 1.257 379 I CB 0.356 38.337 38.000 -0.032 0.000 1.430 379 I HN 0.052 nan 8.210 nan 0.000 0.489 380 I N 5.139 125.577 120.570 -0.221 0.000 2.412 380 I HA 0.185 4.355 4.170 0.001 0.000 0.296 380 I C -0.030 175.762 176.117 -0.540 0.000 0.987 380 I CA -0.476 60.541 61.300 -0.472 0.000 1.180 380 I CB 1.788 39.264 38.000 -0.873 0.000 1.340 380 I HN 0.435 nan 8.210 nan 0.000 0.455 381 D N 5.849 126.000 120.400 -0.416 0.000 2.524 381 D HA 0.186 4.827 4.640 0.001 0.000 0.222 381 D C 0.800 176.958 176.300 -0.237 0.000 1.142 381 D CA -0.212 53.641 54.000 -0.244 0.000 0.973 381 D CB 0.143 40.861 40.800 -0.138 0.000 1.025 381 D HN 0.297 nan 8.370 nan 0.000 0.519 382 F N 0.973 120.893 119.950 -0.051 0.000 2.161 382 F HA -0.207 4.320 4.527 0.001 0.000 0.300 382 F C 2.365 178.147 175.800 -0.030 0.000 1.089 382 F CA 0.659 58.629 58.000 -0.050 0.000 1.282 382 F CB -0.150 38.827 39.000 -0.039 0.000 1.010 382 F HN 0.287 nan 8.300 nan 0.000 0.485 383 Q N 0.457 120.332 119.800 0.126 0.000 2.217 383 Q HA -0.211 4.130 4.340 0.001 0.000 0.209 383 Q C 2.406 178.423 176.000 0.029 0.000 0.988 383 Q CA 2.030 57.871 55.803 0.064 0.000 0.878 383 Q CB -0.642 28.117 28.738 0.034 0.000 0.909 383 Q HN 0.473 nan 8.270 nan 0.000 0.424 384 S N -1.230 114.469 115.700 -0.001 0.000 2.436 384 S HA -0.012 4.458 4.470 0.001 0.000 0.228 384 S C 1.766 176.359 174.600 -0.012 0.000 1.014 384 S CA 0.467 58.654 58.200 -0.022 0.000 0.950 384 S CB -0.262 62.907 63.200 -0.051 0.000 0.784 384 S HN 0.381 nan 8.310 nan 0.000 0.504 385 L N 0.534 121.764 121.223 0.013 0.000 2.291 385 L HA 0.102 4.443 4.340 0.001 0.000 0.214 385 L C 1.699 178.602 176.870 0.055 0.000 1.120 385 L CA 0.561 55.424 54.840 0.038 0.000 0.799 385 L CB -0.500 41.617 42.059 0.097 0.000 0.925 385 L HN 0.244 nan 8.230 nan 0.000 0.446 429 E N 3.655 123.834 120.200 -0.035 0.000 2.868 429 E HA -0.109 4.241 4.350 0.001 0.000 0.246 429 E C 0.911 177.483 176.600 -0.046 0.000 0.962 429 E CA 0.509 56.881 56.400 -0.046 0.000 0.955 429 E CB 0.237 29.899 29.700 -0.062 0.000 0.903 429 E HN 0.536 nan 8.360 nan 0.000 0.524 430 I N 4.298 124.842 120.570 -0.042 0.000 2.113 430 I HA -0.413 3.758 4.170 0.001 0.000 0.242 430 I C 2.065 178.153 176.117 -0.049 0.000 1.057 430 I CA 1.254 62.530 61.300 -0.039 0.000 1.314 430 I CB -0.276 37.701 38.000 -0.039 0.000 1.022 430 I HN 0.445 nan 8.210 nan 0.000 0.408 431 V N 0.589 120.464 119.914 -0.065 0.000 2.469 431 V HA -0.259 3.861 4.120 0.001 0.000 0.251 431 V C 2.302 178.350 176.094 -0.076 0.000 1.064 431 V CA 1.562 63.815 62.300 -0.078 0.000 1.066 431 V CB -0.623 31.140 31.823 -0.101 0.000 0.667 431 V HN 0.347 nan 8.190 nan 0.000 0.461 432 K N 0.619 120.975 120.400 -0.073 0.000 2.439 432 K HA -0.057 4.263 4.320 0.001 0.000 0.197 432 K C 1.789 178.351 176.600 -0.063 0.000 1.041 432 K CA 0.803 57.046 56.287 -0.074 0.000 0.970 432 K CB -0.281 32.174 32.500 -0.075 0.000 0.773 432 K HN 0.660 nan 8.250 nan 0.000 0.479 433 R N -0.181 120.288 120.500 -0.052 0.000 2.432 433 R HA 0.309 4.650 4.340 0.001 0.000 0.260 433 R C 0.492 176.752 176.300 -0.065 0.000 0.935 433 R CA -0.243 55.829 56.100 -0.046 0.000 1.080 433 R CB -0.153 30.138 30.300 -0.015 0.000 1.155 433 R HN -0.065 nan 8.270 nan 0.000 0.531 434 I N 1.944 122.475 120.570 -0.065 0.000 2.742 434 I HA -0.121 4.049 4.170 0.001 0.000 0.287 434 I C 0.942 176.985 176.117 -0.124 0.000 1.186 434 I CA 0.183 61.442 61.300 -0.069 0.000 1.417 434 I CB 1.374 39.347 38.000 -0.046 0.000 1.377 434 I HN -0.005 nan 8.210 nan 0.000 0.556 435 V N 6.695 126.471 119.914 -0.231 0.000 3.307 435 V HA 0.132 4.253 4.120 0.001 0.000 0.244 435 V C 0.232 176.071 176.094 -0.424 0.000 1.196 435 V CA 0.349 62.403 62.300 -0.410 0.000 1.132 435 V CB -0.133 31.264 31.823 -0.710 0.000 0.875 435 V HN 0.410 nan 8.190 nan 0.000 0.468 436 F N -0.246 119.681 119.950 -0.039 0.000 2.443 436 F HA 0.431 4.959 4.527 0.001 0.000 0.335 436 F C 1.145 176.876 175.800 -0.115 0.000 1.104 436 F CA -0.615 57.340 58.000 -0.076 0.000 1.013 436 F CB 1.399 40.341 39.000 -0.096 0.000 1.136 436 F HN -0.150 nan 8.300 nan 0.000 0.470 437 L N 2.113 123.364 121.223 0.047 0.000 2.079 437 L HA -0.245 4.096 4.340 0.001 0.000 0.210 437 L C 2.635 179.381 176.870 -0.207 0.000 1.081 437 L CA 1.404 56.219 54.840 -0.042 0.000 0.752 437 L CB -0.448 41.603 42.059 -0.013 0.000 0.896 437 L HN 0.707 nan 8.230 nan 0.000 0.433 438 K N 0.308 120.375 120.400 -0.555 0.000 2.097 438 K HA -0.281 4.040 4.320 0.001 0.000 0.214 438 K C 1.562 178.090 176.600 -0.120 0.000 1.052 438 K CA 2.333 58.213 56.287 -0.677 0.000 0.932 438 K CB -0.098 32.096 32.500 -0.509 0.000 0.716 438 K HN 0.376 nan 8.250 nan 0.000 0.455 439 D N 0.425 120.824 120.400 -0.003 0.000 2.213 439 D HA -0.074 4.566 4.640 0.001 0.000 0.205 439 D C 2.100 178.438 176.300 0.063 0.000 0.961 439 D CA 0.542 54.576 54.000 0.057 0.000 0.853 439 D CB -0.063 40.788 40.800 0.086 0.000 0.967 439 D HN 0.255 nan 8.370 nan 0.000 0.496 440 L N 0.587 121.853 121.223 0.072 0.000 1.990 440 L HA -0.189 4.151 4.340 0.001 0.000 0.213 440 L C 2.622 179.629 176.870 0.229 0.000 1.072 440 L CA 1.119 56.032 54.840 0.123 0.000 0.755 440 L CB -0.323 41.843 42.059 0.178 0.000 0.889 440 L HN 0.064 nan 8.230 nan 0.000 0.432 441 M N -0.523 119.220 119.600 0.237 0.000 2.213 441 M HA -0.254 4.227 4.480 0.001 0.000 0.263 441 M C 2.247 178.686 176.300 0.232 0.000 1.062 441 M CA 1.651 57.123 55.300 0.287 0.000 1.105 441 M CB -0.046 32.727 32.600 0.287 0.000 1.385 441 M HN 0.099 nan 8.290 nan 0.000 0.417 442 K N -0.230 120.269 120.400 0.164 0.000 2.148 442 K HA -0.148 4.173 4.320 0.001 0.000 0.204 442 K C 1.771 178.425 176.600 0.090 0.000 1.050 442 K CA 1.027 57.388 56.287 0.123 0.000 0.942 442 K CB 0.135 32.692 32.500 0.095 0.000 0.724 442 K HN 0.319 nan 8.250 nan 0.000 0.446 443 E N -0.165 120.067 120.200 0.055 0.000 2.047 443 E HA -0.174 4.177 4.350 0.001 0.000 0.191 443 E C 1.876 178.456 176.600 -0.032 0.000 0.987 443 E CA 1.268 57.646 56.400 -0.035 0.000 0.799 443 E CB -0.305 29.307 29.700 -0.146 0.000 0.752 443 E HN 0.416 nan 8.360 nan 0.000 0.449 444 Y N 1.366 121.698 120.300 0.053 0.000 2.384 444 Y HA -0.143 4.407 4.550 0.001 0.000 0.289 444 Y C 1.872 177.806 175.900 0.057 0.000 1.152 444 Y CA 1.011 59.145 58.100 0.057 0.000 1.258 444 Y CB 0.047 38.537 38.460 0.050 0.000 0.979 444 Y HN 0.102 nan 8.280 nan 0.000 0.549 445 E N -0.071 120.240 120.200 0.186 0.000 2.476 445 E HA 0.025 4.375 4.350 0.001 0.000 0.191 445 E C 0.186 176.843 176.600 0.094 0.000 1.064 445 E CA 0.134 56.612 56.400 0.130 0.000 0.866 445 E CB 0.219 29.989 29.700 0.116 0.000 0.952 445 E HN 0.408 nan 8.360 nan 0.000 0.492 451 R N 2.179 122.728 120.500 0.081 0.000 2.585 451 R HA 0.513 4.854 4.340 0.001 0.000 0.275 451 R C 0.953 177.305 176.300 0.087 0.000 1.018 451 R CA 0.871 57.028 56.100 0.094 0.000 1.072 451 R CB -0.688 29.701 30.300 0.149 0.000 0.953 451 R HN 0.894 nan 8.270 nan 0.000 0.419 452 K N 1.551 121.965 120.400 0.022 0.000 2.465 452 K HA 0.532 4.853 4.320 0.001 0.000 0.176 452 K C 1.208 177.709 176.600 -0.165 0.000 1.104 452 K CA 0.310 56.571 56.287 -0.044 0.000 1.160 452 K CB -0.024 32.442 32.500 -0.057 0.000 1.607 452 K HN 0.655 nan 8.250 nan 0.000 0.469 453 A N 1.191 123.867 122.820 -0.240 0.000 3.068 453 A HA 0.423 4.744 4.320 0.001 0.000 0.229 453 A C -2.229 175.067 177.584 -0.479 0.000 1.561 453 A CA -1.443 50.320 52.037 -0.456 0.000 0.876 453 A CB -0.754 18.067 19.000 -0.299 0.000 1.700 453 A HN 0.533 nan 8.150 nan 0.000 0.535 454 P HA 0.025 nan 4.420 nan 0.000 0.267 454 P C -0.018 177.275 177.300 -0.012 0.000 1.195 454 P CA 0.447 63.423 63.100 -0.207 0.000 0.773 454 P CB 0.421 32.047 31.700 -0.124 0.000 0.837 455 L N 1.241 122.572 121.223 0.180 0.000 2.515 455 L HA 0.099 4.440 4.340 0.001 0.000 0.223 455 L C 2.473 179.378 176.870 0.058 0.000 1.079 455 L CA 0.119 55.066 54.840 0.177 0.000 0.857 455 L CB -0.148 42.149 42.059 0.398 0.000 1.050 455 L HN 0.310 nan 8.230 nan 0.000 0.476 456 I N 0.737 121.334 120.570 0.045 0.000 2.226 456 I HA -0.188 3.982 4.170 0.001 0.000 0.245 456 I C -0.416 175.514 176.117 -0.311 0.000 1.100 456 I CA 1.277 62.494 61.300 -0.138 0.000 1.374 456 I CB -1.347 36.586 38.000 -0.112 0.000 1.057 456 I HN 0.194 nan 8.210 nan 0.000 0.413 457 P HA -0.218 nan 4.420 nan 0.000 0.215 457 P C 2.047 179.216 177.300 -0.218 0.000 1.157 457 P CA 1.560 64.518 63.100 -0.237 0.000 0.874 457 P CB 0.012 31.614 31.700 -0.163 0.000 0.790 458 L N -1.395 119.724 121.223 -0.174 0.000 2.046 458 L HA -0.167 4.173 4.340 0.001 0.000 0.208 458 L C 2.360 179.168 176.870 -0.103 0.000 1.077 458 L CA 1.470 56.203 54.840 -0.178 0.000 0.747 458 L CB -0.620 41.270 42.059 -0.281 0.000 0.896 458 L HN -0.049 nan 8.230 nan 0.000 0.432 459 L N -0.651 120.523 121.223 -0.081 0.000 2.056 459 L HA -0.250 4.091 4.340 0.001 0.000 0.207 459 L C 2.623 179.457 176.870 -0.061 0.000 1.078 459 L CA 1.291 56.139 54.840 0.014 0.000 0.749 459 L CB -0.515 41.559 42.059 0.025 0.000 0.901 459 L HN 0.194 nan 8.230 nan 0.000 0.433 460 K N -0.256 119.927 120.400 -0.362 0.000 2.044 460 K HA -0.282 4.038 4.320 0.001 0.000 0.210 460 K C 2.204 178.694 176.600 -0.185 0.000 1.049 460 K CA 1.750 57.732 56.287 -0.507 0.000 0.927 460 K CB -0.149 31.885 32.500 -0.776 0.000 0.713 460 K HN 0.111 nan 8.250 nan 0.000 0.443 461 Q N 0.473 120.183 119.800 -0.150 0.000 2.170 461 Q HA -0.098 4.242 4.340 0.001 0.000 0.203 461 Q C 1.714 177.707 176.000 -0.011 0.000 0.976 461 Q CA 1.880 57.636 55.803 -0.078 0.000 0.858 461 Q CB -0.189 28.497 28.738 -0.086 0.000 0.907 461 Q HN 0.229 nan 8.270 nan 0.000 0.433 462 T N -0.616 113.958 114.554 0.034 0.000 2.821 462 T HA -0.087 4.264 4.350 0.001 0.000 0.267 462 T C 1.742 176.484 174.700 0.070 0.000 1.046 462 T CA 1.273 63.428 62.100 0.091 0.000 1.139 462 T CB -0.256 68.719 68.868 0.179 0.000 0.871 462 T HN 0.092 nan 8.240 nan 0.000 0.454 463 V N 1.673 121.638 119.914 0.086 0.000 2.261 463 V HA -0.177 3.944 4.120 0.001 0.000 0.246 463 V C 2.547 178.681 176.094 0.066 0.000 1.047 463 V CA 1.597 63.958 62.300 0.102 0.000 1.015 463 V CB -0.573 31.369 31.823 0.199 0.000 0.642 463 V HN 0.425 nan 8.190 nan 0.000 0.446 464 K N -0.094 120.334 120.400 0.047 0.000 2.001 464 K HA -0.230 4.090 4.320 0.001 0.000 0.214 464 K C 2.193 178.804 176.600 0.018 0.000 1.050 464 K CA 2.041 58.344 56.287 0.026 0.000 0.934 464 K CB -0.339 32.159 32.500 -0.003 0.000 0.718 464 K HN 0.350 nan 8.250 nan 0.000 0.443 465 L N 0.719 121.948 121.223 0.009 0.000 1.994 465 L HA -0.191 4.150 4.340 0.001 0.000 0.208 465 L C 2.549 179.425 176.870 0.009 0.000 1.071 465 L CA 1.256 56.099 54.840 0.005 0.000 0.745 465 L CB -0.322 41.737 42.059 0.001 0.000 0.892 465 L HN 0.242 nan 8.230 nan 0.000 0.431 466 I N -0.754 119.822 120.570 0.010 0.000 2.264 466 I HA -0.303 3.867 4.170 0.001 0.000 0.248 466 I C 2.704 178.810 176.117 -0.018 0.000 1.111 466 I CA 1.294 62.584 61.300 -0.016 0.000 1.382 466 I CB -0.180 37.809 38.000 -0.018 0.000 1.060 466 I HN 0.219 nan 8.210 nan 0.000 0.418 467 R N 0.421 120.928 120.500 0.012 0.000 2.093 467 R HA -0.093 4.248 4.340 0.001 0.000 0.224 467 R C 1.061 177.385 176.300 0.039 0.000 1.101 467 R CA 0.421 56.536 56.100 0.025 0.000 0.979 467 R CB -0.206 30.117 30.300 0.037 0.000 0.877 467 R HN 0.477 nan 8.270 nan 0.000 0.441 468 Q N 1.532 121.354 119.800 0.037 0.000 2.423 468 Q HA 0.162 4.503 4.340 0.001 0.000 0.235 468 Q C -0.261 175.776 176.000 0.060 0.000 1.100 468 Q CA -0.017 55.813 55.803 0.047 0.000 0.908 468 Q CB 1.149 29.907 28.738 0.032 0.000 1.312 468 Q HN 0.105 nan 8.270 nan 0.000 0.497 469 K N 1.647 122.105 120.400 0.096 0.000 8.616 469 K HA -0.237 4.084 4.320 0.001 0.000 0.323 469 K C -0.697 175.981 176.600 0.130 0.000 1.244 469 K CA 0.976 57.349 56.287 0.144 0.000 1.244 469 K CB -1.791 30.777 32.500 0.114 0.000 0.594 469 K HN 1.349 nan 8.250 nan 0.000 0.795 473 Q N 0.802 121.282 119.800 1.134 0.000 2.251 473 Q HA -0.286 4.054 4.340 0.001 0.000 0.218 473 Q C 0.408 176.563 176.000 0.257 0.000 0.840 473 Q CA 1.854 57.910 55.803 0.422 0.000 1.339 473 Q CB -1.484 27.268 28.738 0.024 0.000 1.907 473 Q HN 0.501 nan 8.270 nan 0.000 0.572 474 L N -1.795 119.585 121.223 0.262 0.000 2.226 474 L HA 0.077 4.417 4.340 0.001 0.000 0.218 474 L C 0.962 177.936 176.870 0.174 0.000 1.162 474 L CA 0.747 55.698 54.840 0.185 0.000 2.417 474 L CB -0.267 41.899 42.059 0.178 0.000 2.139 474 L HN -0.033 nan 8.230 nan 0.000 1.037 475 E N -0.380 119.935 120.200 0.192 0.000 2.499 475 E HA 0.168 4.519 4.350 0.001 0.000 0.207 475 E C 1.393 178.168 176.600 0.291 0.000 1.034 475 E CA -0.176 56.340 56.400 0.193 0.000 1.098 475 E CB 0.681 30.485 29.700 0.173 0.000 1.148 475 E HN 0.312 nan 8.360 nan 0.000 0.447 476 V N 0.742 120.813 119.914 0.263 0.000 2.453 476 V HA -0.150 3.971 4.120 0.001 0.000 0.247 476 V C 2.343 178.551 176.094 0.191 0.000 1.048 476 V CA 2.151 64.599 62.300 0.247 0.000 1.049 476 V CB -0.474 31.434 31.823 0.142 0.000 0.672 476 V HN 0.582 nan 8.190 nan 0.000 0.457 477 G N -1.157 107.738 108.800 0.157 0.000 2.469 477 G HA2 -0.363 3.597 3.960 0.001 0.000 0.220 477 G HA3 -0.363 3.597 3.960 0.001 0.000 0.220 477 G C 1.524 176.481 174.900 0.094 0.000 1.136 477 G CA 1.347 46.511 45.100 0.107 0.000 0.759 477 G HN 0.588 nan 8.290 nan 0.000 0.562 478 Y N 0.264 120.545 120.300 -0.032 0.000 2.114 478 Y HA -0.146 4.405 4.550 0.001 0.000 0.284 478 Y C 2.670 178.475 175.900 -0.158 0.000 1.143 478 Y CA 1.743 59.755 58.100 -0.148 0.000 1.135 478 Y CB -0.221 38.058 38.460 -0.302 0.000 0.980 478 Y HN 0.236 nan 8.280 nan 0.000 0.499 479 Y N -0.107 120.250 120.300 0.095 0.000 2.200 479 Y HA -0.155 4.396 4.550 0.001 0.000 0.290 479 Y C 2.697 178.548 175.900 -0.082 0.000 1.137 479 Y CA 1.206 59.300 58.100 -0.009 0.000 1.163 479 Y CB -1.196 37.334 38.460 0.117 0.000 0.988 479 Y HN 0.247 nan 8.280 nan 0.000 0.518 480 A N 0.078 122.957 122.820 0.099 0.000 1.917 480 A HA -0.346 3.974 4.320 0.001 0.000 0.219 480 A C 2.228 179.769 177.584 -0.071 0.000 1.182 480 A CA 2.139 54.177 52.037 0.001 0.000 0.633 480 A CB -0.971 18.014 19.000 -0.024 0.000 0.819 480 A HN 0.581 nan 8.150 nan 0.000 0.448 481 Q N -0.643 119.095 119.800 -0.103 0.000 2.050 481 Q HA -0.086 4.255 4.340 0.001 0.000 0.202 481 Q C 2.069 177.963 176.000 -0.177 0.000 0.980 481 Q CA 2.013 57.732 55.803 -0.140 0.000 0.840 481 Q CB -0.674 27.971 28.738 -0.155 0.000 0.898 481 Q HN 0.521 nan 8.270 nan 0.000 0.424 482 G N 1.246 109.900 108.800 -0.243 0.000 2.480 482 G HA2 -0.272 3.688 3.960 0.001 0.000 0.216 482 G HA3 -0.272 3.688 3.960 0.001 0.000 0.216 482 G C 1.433 176.227 174.900 -0.176 0.000 1.200 482 G CA 1.170 46.143 45.100 -0.211 0.000 0.782 482 G HN 0.418 nan 8.290 nan 0.000 0.554 483 I N 0.424 120.896 120.570 -0.164 0.000 2.145 483 I HA -0.234 3.937 4.170 0.001 0.000 0.244 483 I C 2.684 178.586 176.117 -0.358 0.000 1.075 483 I CA 1.114 62.230 61.300 -0.306 0.000 1.332 483 I CB -0.298 37.590 38.000 -0.186 0.000 1.033 483 I HN 0.214 nan 8.210 nan 0.000 0.410 484 L N 0.007 121.102 121.223 -0.213 0.000 1.994 484 L HA -0.254 4.086 4.340 0.001 0.000 0.208 484 L C 2.777 179.552 176.870 -0.159 0.000 1.071 484 L CA 2.043 56.780 54.840 -0.172 0.000 0.745 484 L CB -0.388 41.598 42.059 -0.120 0.000 0.892 484 L HN 0.240 nan 8.230 nan 0.000 0.431 485 S N -0.844 114.772 115.700 -0.140 0.000 2.368 485 S HA -0.284 4.186 4.470 0.001 0.000 0.226 485 S C 2.140 176.678 174.600 -0.103 0.000 1.044 485 S CA 2.131 60.268 58.200 -0.105 0.000 1.062 485 S CB -0.546 62.596 63.200 -0.096 0.000 0.931 485 S HN 0.663 nan 8.310 nan 0.000 0.440 486 S N 1.156 116.764 115.700 -0.152 0.000 2.359 486 S HA -0.056 4.414 4.470 0.001 0.000 0.224 486 S C 1.799 176.330 174.600 -0.115 0.000 1.035 486 S CA 1.692 59.815 58.200 -0.129 0.000 1.018 486 S CB -0.554 62.518 63.200 -0.212 0.000 0.876 486 S HN 0.566 nan 8.310 nan 0.000 0.448 487 I N 1.094 121.517 120.570 -0.245 0.000 2.286 487 I HA -0.148 4.022 4.170 0.001 0.000 0.248 487 I C 2.121 178.231 176.117 -0.011 0.000 1.115 487 I CA 0.782 62.009 61.300 -0.121 0.000 1.392 487 I CB -0.431 37.462 38.000 -0.179 0.000 1.065 487 I HN 0.144 nan 8.210 nan 0.000 0.418 488 V N 0.103 119.997 119.914 -0.032 0.000 2.332 488 V HA -0.329 3.791 4.120 0.001 0.000 0.248 488 V C 2.301 178.420 176.094 0.043 0.000 1.055 488 V CA 1.820 64.123 62.300 0.005 0.000 1.038 488 V CB -0.599 31.214 31.823 -0.016 0.000 0.651 488 V HN 0.578 nan 8.190 nan 0.000 0.450 489 C N -0.770 118.552 119.300 0.038 0.000 2.539 489 C HA 0.244 4.704 4.460 0.001 0.000 0.268 489 C C 1.287 176.330 174.990 0.088 0.000 1.395 489 C CA -0.826 58.224 59.018 0.053 0.000 1.757 489 C CB -1.239 26.522 27.740 0.035 0.000 1.851 489 C HN 0.378 nan 8.230 nan 0.000 0.545 490 L N 2.595 123.902 121.223 0.140 0.000 2.559 490 L HA -0.011 4.330 4.340 0.001 0.000 0.282 490 L C -0.078 176.908 176.870 0.193 0.000 1.232 490 L CA 1.036 56.006 54.840 0.216 0.000 0.885 490 L CB -0.004 42.274 42.059 0.365 0.000 1.131 490 L HN 0.494 nan 8.230 nan 0.000 0.498 491 N N 1.908 120.649 118.700 0.068 0.000 2.384 491 N HA 0.175 4.915 4.740 0.001 0.000 0.301 491 N C -0.448 174.850 175.510 -0.353 0.000 1.133 491 N CA -0.723 52.272 53.050 -0.093 0.000 0.853 491 N CB 1.048 39.465 38.487 -0.115 0.000 1.241 491 N HN 0.517 nan 8.380 nan 0.000 0.502 492 N N 1.030 119.303 118.700 -0.711 0.000 2.434 492 N HA -0.037 4.704 4.740 0.001 0.000 0.273 492 N C 0.275 175.437 175.510 -0.581 0.000 1.210 492 N CA -0.061 52.373 53.050 -1.028 0.000 0.992 492 N CB 0.359 38.167 38.487 -1.131 0.000 1.355 492 N HN 0.547 nan 8.380 nan 0.000 0.495 493 E N 1.770 121.567 120.200 -0.670 0.000 2.216 493 E HA -0.113 4.238 4.350 0.001 0.000 0.192 493 E C -0.164 175.876 176.600 -0.934 0.000 0.988 493 E CA 0.872 56.729 56.400 -0.906 0.000 0.834 493 E CB 0.192 29.059 29.700 -1.389 0.000 0.772 493 E HN 0.659 nan 8.360 nan 0.000 0.479 494 F N 1.129 121.032 119.950 -0.079 0.000 2.814 494 F HA 0.127 4.654 4.527 0.001 0.000 0.326 494 F C -0.543 175.226 175.800 -0.051 0.000 1.159 494 F CA -1.084 56.890 58.000 -0.045 0.000 1.234 494 F CB 0.002 38.992 39.000 -0.016 0.000 1.016 494 F HN -0.221 nan 8.300 nan 0.000 0.510 495 D N 1.243 121.612 120.400 -0.051 0.000 8.176 495 D HA -0.258 4.383 4.640 0.001 0.000 0.129 495 D C -0.212 176.123 176.300 0.059 0.000 1.240 495 D CA 0.739 54.702 54.000 -0.061 0.000 0.870 495 D CB -0.261 40.498 40.800 -0.069 0.000 1.709 495 D HN 0.625 nan 8.370 nan 0.000 0.979 496 E N 1.702 121.975 120.200 0.123 0.000 2.242 496 E HA 0.521 4.871 4.350 0.001 0.000 0.275 496 E C -2.523 174.188 176.600 0.186 0.000 1.002 496 E CA -2.352 54.151 56.400 0.171 0.000 0.841 496 E CB 0.620 30.456 29.700 0.227 0.000 1.109 496 E HN 0.163 nan 8.360 nan 0.000 0.394 497 P HA -0.007 nan 4.420 nan 0.000 0.269 497 P C 0.482 177.913 177.300 0.219 0.000 1.215 497 P CA -0.038 63.152 63.100 0.151 0.000 0.780 497 P CB 0.401 32.169 31.700 0.114 0.000 0.898 498 L N -3.088 118.257 121.223 0.204 0.000 5.051 498 L HA -0.274 4.067 4.340 0.001 0.000 0.432 498 L C 0.954 178.018 176.870 0.324 0.000 1.055 498 L CA 0.068 55.040 54.840 0.221 0.000 1.095 498 L CB -1.882 40.327 42.059 0.250 0.000 1.957 498 L HN 0.353 nan 8.230 nan 0.000 0.727 499 F N 1.448 121.517 119.950 0.198 0.000 2.646 499 F HA -0.033 4.494 4.527 0.001 0.000 0.313 499 F C 1.977 177.861 175.800 0.141 0.000 1.256 499 F CA 1.660 59.779 58.000 0.200 0.000 1.354 499 F CB 0.377 39.459 39.000 0.137 0.000 1.159 499 F HN 0.190 nan 8.300 nan 0.000 0.589 500 E N -0.673 119.526 120.200 -0.001 0.000 4.724 500 E HA -0.390 3.960 4.350 0.001 0.000 0.169 500 E C 1.566 178.148 176.600 -0.029 0.000 1.223 500 E CA 2.083 58.545 56.400 0.104 0.000 2.386 500 E CB -1.292 28.544 29.700 0.227 0.000 1.790 500 E HN 0.878 nan 8.360 nan 0.000 0.449 501 Q N -0.863 118.906 119.800 -0.052 0.000 2.020 501 Q HA -0.144 4.197 4.340 0.001 0.000 0.202 501 Q C 2.232 178.053 176.000 -0.299 0.000 0.982 501 Q CA 2.170 57.848 55.803 -0.208 0.000 0.838 501 Q CB -0.252 28.299 28.738 -0.312 0.000 0.899 501 Q HN 0.473 nan 8.270 nan 0.000 0.423 502 W N 0.357 121.586 121.300 -0.119 0.000 2.388 502 W HA -0.130 4.531 4.660 0.001 0.000 0.294 502 W C 2.482 178.887 176.519 -0.190 0.000 1.212 502 W CA 0.997 58.257 57.345 -0.141 0.000 1.271 502 W CB -0.072 29.301 29.460 -0.146 0.000 1.126 502 W HN 0.166 nan 8.180 nan 0.000 0.535 503 R N 0.920 121.346 120.500 -0.122 0.000 2.083 503 R HA -0.193 4.147 4.340 0.001 0.000 0.237 503 R C 1.834 178.105 176.300 -0.047 0.000 1.137 503 R CA 2.222 58.234 56.100 -0.146 0.000 0.951 503 R CB -0.820 29.340 30.300 -0.234 0.000 0.851 503 R HN 0.194 nan 8.270 nan 0.000 0.434 504 I N 1.270 121.807 120.570 -0.055 0.000 2.315 504 I HA -0.271 3.900 4.170 0.001 0.000 0.248 504 I C 1.676 177.767 176.117 -0.043 0.000 1.117 504 I CA 1.057 62.332 61.300 -0.041 0.000 1.404 504 I CB -0.453 37.518 38.000 -0.048 0.000 1.071 504 I HN 0.308 nan 8.210 nan 0.000 0.419 505 N N 1.396 120.058 118.700 -0.064 0.000 2.069 505 N HA -0.168 4.572 4.740 0.001 0.000 0.191 505 N C 1.959 177.497 175.510 0.046 0.000 1.031 505 N CA 1.752 54.781 53.050 -0.035 0.000 0.852 505 N CB -0.516 37.929 38.487 -0.070 0.000 1.018 505 N HN 0.356 nan 8.380 nan 0.000 0.423 506 A N 1.659 124.532 122.820 0.088 0.000 1.883 506 A HA -0.084 4.236 4.320 0.001 0.000 0.217 506 A C 2.474 180.069 177.584 0.019 0.000 1.186 506 A CA 1.085 53.168 52.037 0.076 0.000 0.624 506 A CB -0.875 18.175 19.000 0.084 0.000 0.822 506 A HN 0.205 nan 8.150 nan 0.000 0.444 507 L N -0.851 120.371 121.223 -0.002 0.000 2.017 507 L HA -0.176 4.164 4.340 0.001 0.000 0.208 507 L C 2.841 179.706 176.870 -0.009 0.000 1.073 507 L CA 1.857 56.685 54.840 -0.019 0.000 0.745 507 L CB -1.039 41.007 42.059 -0.022 0.000 0.894 507 L HN 0.358 nan 8.230 nan 0.000 0.432 508 T N -0.565 113.988 114.554 -0.001 0.000 2.720 508 T HA -0.180 4.170 4.350 0.001 0.000 0.268 508 T C 2.099 176.806 174.700 0.013 0.000 1.037 508 T CA 1.734 63.839 62.100 0.009 0.000 1.144 508 T CB -0.266 68.598 68.868 -0.006 0.000 0.864 508 T HN 0.543 nan 8.240 nan 0.000 0.444 509 S N 1.441 117.147 115.700 0.011 0.000 2.387 509 S HA 0.032 4.502 4.470 0.001 0.000 0.226 509 S C 2.095 176.692 174.600 -0.005 0.000 1.026 509 S CA 0.603 58.810 58.200 0.012 0.000 0.972 509 S CB -0.709 62.508 63.200 0.029 0.000 0.814 509 S HN 0.474 nan 8.310 nan 0.000 0.477 510 I N 1.594 122.155 120.570 -0.015 0.000 2.226 510 I HA -0.141 4.029 4.170 0.001 0.000 0.245 510 I C 2.337 178.432 176.117 -0.037 0.000 1.100 510 I CA 1.193 62.469 61.300 -0.040 0.000 1.374 510 I CB -0.441 37.528 38.000 -0.052 0.000 1.057 510 I HN 0.264 nan 8.210 nan 0.000 0.413 511 L N -0.197 121.020 121.223 -0.010 0.000 2.141 511 L HA -0.155 4.185 4.340 0.001 0.000 0.209 511 L C 2.474 179.376 176.870 0.053 0.000 1.094 511 L CA 0.789 55.644 54.840 0.025 0.000 0.763 511 L CB -0.427 41.675 42.059 0.073 0.000 0.908 511 L HN 0.096 nan 8.230 nan 0.000 0.437 512 V N -1.137 118.799 119.914 0.038 0.000 2.407 512 V HA -0.163 3.957 4.120 0.001 0.000 0.245 512 V C 2.283 178.389 176.094 0.020 0.000 1.041 512 V CA 1.086 63.409 62.300 0.038 0.000 1.040 512 V CB 0.222 32.064 31.823 0.032 0.000 0.671 512 V HN 0.160 nan 8.190 nan 0.000 0.455 513 V N -0.352 119.558 119.914 -0.007 0.000 2.548 513 V HA 0.002 4.122 4.120 0.001 0.000 0.249 513 V C 1.083 177.141 176.094 -0.060 0.000 1.055 513 V CA 1.262 63.544 62.300 -0.030 0.000 1.065 513 V CB -0.235 31.522 31.823 -0.110 0.000 0.681 513 V HN 0.418 nan 8.190 nan 0.000 0.462 514 L N 0.100 121.275 121.223 -0.080 0.000 2.678 514 L HA 0.273 4.614 4.340 0.001 0.000 0.250 514 L C -1.857 174.955 176.870 -0.098 0.000 1.455 514 L CA -1.135 53.662 54.840 -0.072 0.000 0.823 514 L CB 1.104 43.102 42.059 -0.102 0.000 1.107 514 L HN 0.153 nan 8.230 nan 0.000 0.514 515 P HA -0.247 nan 4.420 nan 0.000 0.218 515 P C 1.206 178.375 177.300 -0.218 0.000 1.152 515 P CA 1.491 64.393 63.100 -0.329 0.000 0.857 515 P CB 0.216 31.198 31.700 -1.195 0.000 0.787 516 E N -1.047 119.063 120.200 -0.150 0.000 2.502 516 E HA -0.054 4.296 4.350 0.001 0.000 0.194 516 E C 1.135 177.730 176.600 -0.009 0.000 1.062 516 E CA 0.214 56.628 56.400 0.023 0.000 0.867 516 E CB -0.430 29.378 29.700 0.179 0.000 0.888 516 E HN 0.036 nan 8.360 nan 0.000 0.510 517 K N 0.898 121.270 120.400 -0.047 0.000 2.574 517 K HA 0.024 4.344 4.320 0.001 0.000 0.193 517 K C 1.508 178.043 176.600 -0.109 0.000 1.035 517 K CA 0.176 56.426 56.287 -0.061 0.000 0.982 517 K CB 0.085 32.547 32.500 -0.064 0.000 0.795 517 K HN 0.141 nan 8.250 nan 0.000 0.491 518 V N 1.398 121.212 119.914 -0.166 0.000 2.809 518 V HA -0.179 3.942 4.120 0.001 0.000 0.256 518 V C 1.764 177.728 176.094 -0.215 0.000 1.080 518 V CA 1.068 63.180 62.300 -0.314 0.000 1.102 518 V CB -0.409 30.991 31.823 -0.705 0.000 0.705 518 V HN 0.336 nan 8.190 nan 0.000 0.475 519 N N 1.483 120.119 118.700 -0.106 0.000 2.058 519 N HA -0.132 4.609 4.740 0.001 0.000 0.191 519 N C 1.960 177.446 175.510 -0.040 0.000 1.037 519 N CA 1.877 54.902 53.050 -0.041 0.000 0.848 519 N CB -0.635 37.860 38.487 0.014 0.000 1.021 519 N HN 0.513 nan 8.380 nan 0.000 0.422 520 G N 0.319 109.091 108.800 -0.047 0.000 2.421 520 G HA2 -0.019 3.941 3.960 0.001 0.000 0.217 520 G HA3 -0.019 3.941 3.960 0.001 0.000 0.217 520 G C 1.656 176.515 174.900 -0.068 0.000 1.143 520 G CA 0.925 45.999 45.100 -0.043 0.000 0.784 520 G HN 0.445 nan 8.290 nan 0.000 0.541 521 A N 0.956 123.713 122.820 -0.105 0.000 1.855 521 A HA 0.115 4.435 4.320 0.001 0.000 0.215 521 A C 2.316 179.810 177.584 -0.151 0.000 1.191 521 A CA 1.033 52.995 52.037 -0.124 0.000 0.613 521 A CB -0.381 18.529 19.000 -0.150 0.000 0.829 521 A HN 0.319 nan 8.150 nan 0.000 0.442 522 I N 0.261 120.720 120.570 -0.184 0.000 2.567 522 I HA -0.229 3.941 4.170 0.001 0.000 0.257 522 I C 1.723 177.712 176.117 -0.212 0.000 1.184 522 I CA 0.871 62.025 61.300 -0.244 0.000 1.451 522 I CB -0.297 37.584 38.000 -0.198 0.000 1.089 522 I HN 0.300 nan 8.210 nan 0.000 0.441 523 N N 0.631 119.293 118.700 -0.062 0.000 2.354 523 N HA 0.002 4.742 4.740 0.001 0.000 0.179 523 N C 1.784 177.309 175.510 0.025 0.000 1.021 523 N CA 1.020 54.096 53.050 0.044 0.000 0.887 523 N CB -0.038 38.484 38.487 0.059 0.000 0.974 523 N HN 0.340 nan 8.380 nan 0.000 0.437 524 I N 0.266 120.815 120.570 -0.035 0.000 2.439 524 I HA -0.155 4.015 4.170 0.001 0.000 0.251 524 I C 2.125 178.222 176.117 -0.033 0.000 1.139 524 I CA 0.411 61.698 61.300 -0.022 0.000 1.438 524 I CB -0.053 37.925 38.000 -0.037 0.000 1.085 524 I HN 0.075 nan 8.210 nan 0.000 0.427 525 L N 0.255 121.401 121.223 -0.129 0.000 2.046 525 L HA -0.149 4.192 4.340 0.001 0.000 0.208 525 L C 1.770 178.586 176.870 -0.090 0.000 1.077 525 L CA 1.574 56.318 54.840 -0.161 0.000 0.747 525 L CB -0.178 41.691 42.059 -0.316 0.000 0.896 525 L HN -0.035 nan 8.230 nan 0.000 0.432 526 F N -0.513 119.493 119.950 0.093 0.000 2.314 526 F HA 0.025 4.553 4.527 0.001 0.000 0.250 526 F C 2.117 177.942 175.800 0.042 0.000 1.278 526 F CA 0.018 58.064 58.000 0.077 0.000 1.035 526 F CB -0.880 38.166 39.000 0.077 0.000 1.205 526 F HN -0.011 nan 8.300 nan 0.000 0.590 527 N N 0.547 119.413 118.700 0.276 0.000 1.409 527 N HA -0.290 4.451 4.740 0.001 0.000 0.113 527 N C 0.566 176.127 175.510 0.086 0.000 0.398 527 N CA 1.697 54.829 53.050 0.136 0.000 0.788 527 N CB -1.725 36.827 38.487 0.108 0.000 0.637 527 N HN 0.412 nan 8.380 nan 0.000 1.398 528 S N 0.475 116.215 115.700 0.067 0.000 2.579 528 S HA 0.221 4.692 4.470 0.001 0.000 0.275 528 S C -0.094 174.529 174.600 0.038 0.000 1.345 528 S CA -0.526 57.698 58.200 0.041 0.000 1.031 528 S CB 0.952 64.168 63.200 0.025 0.000 0.892 528 S HN 0.266 nan 8.310 nan 0.000 0.529 529 E N 1.501 121.715 120.200 0.024 0.000 1.993 529 E HA 0.408 4.758 4.350 0.001 0.000 0.271 529 E C -0.885 175.721 176.600 0.011 0.000 1.008 529 E CA -0.329 56.080 56.400 0.015 0.000 0.814 529 E CB 0.361 30.065 29.700 0.006 0.000 1.098 529 E HN 0.482 nan 8.360 nan 0.000 0.407 530 L N 0.452 121.683 121.223 0.013 0.000 2.304 530 L HA 0.496 4.837 4.340 0.001 0.000 0.268 530 L C 0.286 177.158 176.870 0.003 0.000 1.010 530 L CA -1.123 53.726 54.840 0.015 0.000 0.813 530 L CB 1.253 43.330 42.059 0.030 0.000 1.315 530 L HN 0.174 nan 8.230 nan 0.000 0.445 531 S N 0.350 116.056 115.700 0.010 0.000 2.576 531 S HA 0.198 4.668 4.470 0.001 0.000 0.276 531 S C 1.007 175.614 174.600 0.011 0.000 1.339 531 S CA -0.649 57.552 58.200 0.001 0.000 1.039 531 S CB 1.022 64.226 63.200 0.006 0.000 0.902 531 S HN 0.650 nan 8.310 nan 0.000 0.516 532 L N 1.744 122.959 121.223 -0.014 0.000 2.040 532 L HA -0.335 4.005 4.340 0.001 0.000 0.228 532 L C 2.626 179.552 176.870 0.094 0.000 1.092 532 L CA 2.590 57.438 54.840 0.012 0.000 0.805 532 L CB -0.757 41.306 42.059 0.007 0.000 0.905 532 L HN 0.900 nan 8.230 nan 0.000 0.443 533 Q N -0.705 119.137 119.800 0.070 0.000 2.002 533 Q HA -0.306 4.034 4.340 0.001 0.000 0.204 533 Q C 2.273 178.336 176.000 0.105 0.000 0.988 533 Q CA 2.434 58.286 55.803 0.083 0.000 0.843 533 Q CB -0.513 28.262 28.738 0.062 0.000 0.908 533 Q HN 0.654 nan 8.270 nan 0.000 0.420 534 Q N -0.405 119.451 119.800 0.093 0.000 2.084 534 Q HA -0.298 4.043 4.340 0.001 0.000 0.215 534 Q C 2.153 178.220 176.000 0.111 0.000 1.020 534 Q CA 2.773 58.634 55.803 0.096 0.000 0.887 534 Q CB -0.145 28.634 28.738 0.069 0.000 0.975 534 Q HN 0.375 nan 8.270 nan 0.000 0.413 535 R N -0.837 119.746 120.500 0.138 0.000 2.073 535 R HA -0.125 4.216 4.340 0.001 0.000 0.234 535 R C 2.370 178.839 176.300 0.281 0.000 1.134 535 R CA 1.533 57.767 56.100 0.223 0.000 0.952 535 R CB -0.368 30.122 30.300 0.315 0.000 0.850 535 R HN 0.374 nan 8.270 nan 0.000 0.433 536 M N 0.962 120.733 119.600 0.284 0.000 2.073 536 M HA -0.147 4.334 4.480 0.001 0.000 0.258 536 M C 2.382 178.800 176.300 0.197 0.000 1.070 536 M CA 1.985 57.434 55.300 0.247 0.000 1.103 536 M CB -0.941 31.719 32.600 0.101 0.000 1.321 536 M HN 0.146 nan 8.290 nan 0.000 0.405 537 S N 0.548 116.327 115.700 0.132 0.000 2.406 537 S HA -0.078 4.392 4.470 0.001 0.000 0.228 537 S C 1.832 176.483 174.600 0.085 0.000 1.020 537 S CA 0.701 58.963 58.200 0.103 0.000 0.965 537 S CB -0.724 62.524 63.200 0.080 0.000 0.798 537 S HN 0.353 nan 8.310 nan 0.000 0.488 538 L N 1.504 122.775 121.223 0.079 0.000 2.017 538 L HA 0.071 4.411 4.340 0.001 0.000 0.208 538 L C 2.122 179.000 176.870 0.013 0.000 1.073 538 L CA 1.476 56.335 54.840 0.032 0.000 0.745 538 L CB -1.090 40.980 42.059 0.019 0.000 0.894 538 L HN 0.221 nan 8.230 nan 0.000 0.432 539 L N -0.558 120.690 121.223 0.041 0.000 2.042 539 L HA -0.205 4.135 4.340 0.001 0.000 0.210 539 L C 2.657 179.498 176.870 -0.049 0.000 1.076 539 L CA 1.926 56.736 54.840 -0.050 0.000 0.749 539 L CB -1.160 40.876 42.059 -0.040 0.000 0.893 539 L HN 0.340 nan 8.230 nan 0.000 0.432 540 S N -0.921 114.843 115.700 0.107 0.000 2.370 540 S HA -0.192 4.278 4.470 0.001 0.000 0.226 540 S C 2.086 176.698 174.600 0.021 0.000 1.033 540 S CA 1.132 59.391 58.200 0.098 0.000 1.011 540 S CB -0.378 62.916 63.200 0.157 0.000 0.852 540 S HN 0.599 nan 8.310 nan 0.000 0.457 541 A N 1.356 124.186 122.820 0.018 0.000 1.902 541 A HA -0.021 4.300 4.320 0.001 0.000 0.217 541 A C 2.102 179.705 177.584 0.031 0.000 1.181 541 A CA 1.157 53.200 52.037 0.009 0.000 0.623 541 A CB -0.765 18.235 19.000 0.001 0.000 0.818 541 A HN 0.453 nan 8.150 nan 0.000 0.443 542 L N -0.646 120.590 121.223 0.023 0.000 1.990 542 L HA -0.208 4.132 4.340 0.001 0.000 0.213 542 L C 2.870 179.819 176.870 0.131 0.000 1.072 542 L CA 1.455 56.354 54.840 0.099 0.000 0.755 542 L CB -0.948 41.109 42.059 -0.002 0.000 0.889 542 L HN 0.497 nan 8.230 nan 0.000 0.432 543 G N -0.348 108.452 108.800 0.001 0.000 2.418 543 G HA2 -0.199 3.761 3.960 0.001 0.000 0.217 543 G HA3 -0.199 3.761 3.960 0.001 0.000 0.217 543 G C 1.648 176.503 174.900 -0.075 0.000 1.158 543 G CA 0.535 45.601 45.100 -0.057 0.000 0.771 543 G HN 0.203 nan 8.290 nan 0.000 0.545 544 L N 1.351 122.548 121.223 -0.044 0.000 2.017 544 L HA -0.134 4.207 4.340 0.001 0.000 0.208 544 L C 3.401 180.235 176.870 -0.060 0.000 1.073 544 L CA 1.691 56.498 54.840 -0.055 0.000 0.745 544 L CB -0.414 41.623 42.059 -0.036 0.000 0.894 544 L HN 0.462 nan 8.230 nan 0.000 0.432 545 S N -0.123 115.575 115.700 -0.003 0.000 2.368 545 S HA -0.165 4.305 4.470 0.001 0.000 0.224 545 S C 2.171 176.712 174.600 -0.099 0.000 1.029 545 S CA 0.812 59.025 58.200 0.022 0.000 0.988 545 S CB -0.513 62.778 63.200 0.153 0.000 0.838 545 S HN 0.353 nan 8.310 nan 0.000 0.462 546 A N 2.768 125.457 122.820 -0.219 0.000 1.917 546 A HA -0.123 4.198 4.320 0.001 0.000 0.219 546 A C 2.445 179.599 177.584 -0.717 0.000 1.182 546 A CA 1.549 53.122 52.037 -0.774 0.000 0.633 546 A CB -0.662 17.857 19.000 -0.801 0.000 0.819 546 A HN 0.598 nan 8.150 nan 0.000 0.448 547 R N -0.906 119.356 120.500 -0.398 0.000 2.092 547 R HA -0.096 4.244 4.340 0.001 0.000 0.231 547 R C 2.243 178.415 176.300 -0.214 0.000 1.119 547 R CA 1.287 57.206 56.100 -0.302 0.000 0.970 547 R CB -0.328 29.853 30.300 -0.197 0.000 0.864 547 R HN 0.758 nan 8.270 nan 0.000 0.440 548 E N 1.105 121.213 120.200 -0.153 0.000 2.047 548 E HA -0.153 4.198 4.350 0.001 0.000 0.191 548 E C 2.097 178.661 176.600 -0.061 0.000 0.987 548 E CA 0.856 57.206 56.400 -0.083 0.000 0.799 548 E CB 0.021 29.693 29.700 -0.046 0.000 0.752 548 E HN 0.209 nan 8.360 nan 0.000 0.449 549 L N 0.598 121.785 121.223 -0.061 0.000 2.042 549 L HA -0.197 4.144 4.340 0.001 0.000 0.210 549 L C 2.775 179.668 176.870 0.040 0.000 1.076 549 L CA 0.921 55.784 54.840 0.039 0.000 0.749 549 L CB -0.371 41.782 42.059 0.157 0.000 0.893 549 L HN 0.052 nan 8.230 nan 0.000 0.432 550 R N 1.156 121.593 120.500 -0.105 0.000 2.237 550 R HA -0.033 4.308 4.340 0.001 0.000 0.219 550 R C 0.885 177.154 176.300 -0.052 0.000 1.080 550 R CA 0.684 56.741 56.100 -0.072 0.000 0.995 550 R CB -1.053 29.115 30.300 -0.219 0.000 0.875 550 R HN 0.400 nan 8.270 nan 0.000 0.462 551 G N 1.860 110.625 108.800 -0.058 0.000 2.357 551 G HA2 -0.240 3.720 3.960 0.001 0.000 0.282 551 G HA3 -0.240 3.720 3.960 0.001 0.000 0.282 551 G C 0.242 175.115 174.900 -0.047 0.000 0.910 551 G CA 0.532 45.608 45.100 -0.040 0.000 1.267 551 G HN 0.357 nan 8.290 nan 0.000 0.476 552 L N -0.170 121.013 121.223 -0.067 0.000 2.781 552 L HA 0.437 4.778 4.340 0.001 0.000 0.245 552 L C 0.793 177.628 176.870 -0.058 0.000 1.118 552 L CA 1.346 56.148 54.840 -0.063 0.000 0.918 552 L CB 0.365 42.375 42.059 -0.081 0.000 1.246 552 L HN 0.738 nan 8.230 nan 0.000 0.526 612 Q N 1.917 121.720 119.800 0.005 0.000 1.918 612 Q HA -0.072 4.268 4.340 0.001 0.000 0.264 612 Q C -1.236 174.782 176.000 0.031 0.000 0.661 612 Q CA -0.088 55.725 55.803 0.018 0.000 0.405 612 Q CB -1.092 27.663 28.738 0.028 0.000 0.492 612 Q HN 0.819 nan 8.270 nan 0.000 0.319 613 N N 2.657 121.373 118.700 0.026 0.000 2.736 613 N HA -0.016 4.725 4.740 0.001 0.000 0.307 613 N C 0.956 176.520 175.510 0.089 0.000 1.212 613 N CA 0.417 53.497 53.050 0.050 0.000 1.158 613 N CB 0.034 38.537 38.487 0.027 0.000 1.460 613 N HN 0.355 nan 8.380 nan 0.000 0.514 614 R N 0.577 121.147 120.500 0.117 0.000 2.357 614 R HA -0.078 4.262 4.340 0.001 0.000 0.202 614 R C 0.734 177.197 176.300 0.271 0.000 1.047 614 R CA 0.470 56.672 56.100 0.170 0.000 1.034 614 R CB -0.076 30.320 30.300 0.161 0.000 0.875 614 R HN 0.445 nan 8.270 nan 0.000 0.473 615 F N -0.039 119.941 119.950 0.051 0.000 2.505 615 F HA 0.104 4.632 4.527 0.001 0.000 0.289 615 F C 2.255 178.078 175.800 0.038 0.000 1.101 615 F CA 0.254 58.273 58.000 0.032 0.000 1.446 615 F CB 0.014 38.948 39.000 -0.110 0.000 1.123 615 F HN -0.223 nan 8.300 nan 0.000 0.564 616 R N 1.117 121.613 120.500 -0.007 0.000 2.119 616 R HA -0.238 4.103 4.340 0.001 0.000 0.246 616 R C 2.268 178.448 176.300 -0.201 0.000 1.146 616 R CA 1.792 57.828 56.100 -0.106 0.000 0.962 616 R CB -0.461 29.818 30.300 -0.035 0.000 0.863 616 R HN 0.230 nan 8.270 nan 0.000 0.442 617 K N -0.605 119.658 120.400 -0.227 0.000 2.360 617 K HA -0.172 4.148 4.320 0.001 0.000 0.201 617 K C 0.493 176.716 176.600 -0.628 0.000 1.046 617 K CA 1.323 57.353 56.287 -0.428 0.000 0.945 617 K CB 0.146 32.302 32.500 -0.574 0.000 0.750 617 K HN 0.314 nan 8.250 nan 0.000 0.464 618 Y N -1.720 118.440 120.300 -0.234 0.000 2.527 618 Y HA 0.291 4.841 4.550 0.001 0.000 0.247 618 Y C 1.633 177.326 175.900 -0.346 0.000 1.138 618 Y CA 0.027 58.023 58.100 -0.174 0.000 1.228 618 Y CB 0.173 38.622 38.460 -0.018 0.000 1.252 618 Y HN -0.010 nan 8.280 nan 0.000 0.531 619 A N 0.938 123.395 122.820 -0.606 0.000 1.881 619 A HA -0.281 4.040 4.320 0.001 0.000 0.219 619 A C 2.523 180.083 177.584 -0.041 0.000 1.215 619 A CA 2.501 54.158 52.037 -0.634 0.000 0.648 619 A CB -1.383 17.411 19.000 -0.344 0.000 0.832 619 A HN 0.506 nan 8.150 nan 0.000 0.455 620 G N -1.037 107.800 108.800 0.062 0.000 2.471 620 G HA2 -0.046 3.914 3.960 0.001 0.000 0.219 620 G HA3 -0.046 3.914 3.960 0.001 0.000 0.219 620 G C 1.461 176.573 174.900 0.353 0.000 1.125 620 G CA 0.862 46.100 45.100 0.230 0.000 0.775 620 G HN 0.454 nan 8.290 nan 0.000 0.548 621 L N -0.967 120.446 121.223 0.317 0.000 2.156 621 L HA 0.079 4.419 4.340 0.001 0.000 0.208 621 L C 2.494 179.524 176.870 0.266 0.000 1.095 621 L CA 0.620 55.638 54.840 0.297 0.000 0.770 621 L CB -0.295 41.944 42.059 0.299 0.000 0.914 621 L HN 0.138 nan 8.230 nan 0.000 0.439 622 F N -1.156 118.880 119.950 0.144 0.000 2.219 622 F HA -0.136 4.391 4.527 0.001 0.000 0.294 622 F C 2.226 178.106 175.800 0.134 0.000 1.086 622 F CA 1.039 59.138 58.000 0.164 0.000 1.330 622 F CB -0.572 38.612 39.000 0.307 0.000 1.047 622 F HN -0.072 nan 8.300 nan 0.000 0.495 623 F N -1.269 118.784 119.950 0.171 0.000 2.270 623 F HA -0.119 4.409 4.527 0.001 0.000 0.295 623 F C 1.930 177.648 175.800 -0.136 0.000 1.087 623 F CA 1.302 59.281 58.000 -0.035 0.000 1.365 623 F CB -0.478 38.404 39.000 -0.198 0.000 1.056 623 F HN -0.112 nan 8.300 nan 0.000 0.506 624 Y N 0.601 120.936 120.300 0.058 0.000 2.243 624 Y HA 0.089 4.639 4.550 0.001 0.000 0.293 624 Y C -0.580 175.210 175.900 -0.185 0.000 1.124 624 Y CA 0.559 58.559 58.100 -0.167 0.000 1.159 624 Y CB -2.276 36.231 38.460 0.079 0.000 1.008 624 Y HN 0.055 nan 8.280 nan 0.000 0.527 625 P HA -0.154 nan 4.420 nan 0.000 0.216 625 P C 1.579 179.070 177.300 0.320 0.000 1.150 625 P CA 1.567 64.841 63.100 0.289 0.000 0.837 625 P CB -0.003 31.852 31.700 0.258 0.000 0.786 626 L N -1.269 120.029 121.223 0.125 0.000 2.109 626 L HA -0.072 4.268 4.340 0.001 0.000 0.207 626 L C 2.468 179.438 176.870 0.167 0.000 1.086 626 L CA 1.331 56.270 54.840 0.164 0.000 0.760 626 L CB -1.022 40.966 42.059 -0.118 0.000 0.910 626 L HN -0.050 nan 8.230 nan 0.000 0.437 627 A N -0.678 121.991 122.820 -0.251 0.000 1.898 627 A HA -0.217 4.103 4.320 0.001 0.000 0.216 627 A C 2.084 179.665 177.584 -0.004 0.000 1.181 627 A CA 1.370 53.213 52.037 -0.324 0.000 0.620 627 A CB -0.645 17.850 19.000 -0.842 0.000 0.819 627 A HN 0.396 nan 8.150 nan 0.000 0.442 628 H N -0.429 118.707 119.070 0.110 0.000 2.326 628 H HA -0.049 4.507 4.556 0.001 0.000 0.301 628 H C 2.520 177.898 175.328 0.084 0.000 1.081 628 H CA 0.964 57.070 56.048 0.097 0.000 1.334 628 H CB -1.157 28.649 29.762 0.072 0.000 1.385 628 H HN 0.460 nan 8.280 nan 0.000 0.504 629 G N 1.517 110.470 108.800 0.255 0.000 2.624 629 G HA2 -0.315 3.646 3.960 0.001 0.000 0.221 629 G HA3 -0.315 3.646 3.960 0.001 0.000 0.221 629 G C 1.678 176.652 174.900 0.122 0.000 1.169 629 G CA 0.989 46.171 45.100 0.138 0.000 0.771 629 G HN 0.471 nan 8.290 nan 0.000 0.598 630 W N 1.061 122.401 121.300 0.068 0.000 2.352 630 W HA -0.047 4.613 4.660 0.001 0.000 0.322 630 W C 2.468 178.964 176.519 -0.038 0.000 1.208 630 W CA 1.538 58.847 57.345 -0.060 0.000 1.286 630 W CB -0.758 28.720 29.460 0.029 0.000 1.167 630 W HN 0.226 nan 8.180 nan 0.000 0.469 631 L N 1.193 122.617 121.223 0.336 0.000 2.012 631 L HA -0.321 4.019 4.340 0.001 0.000 0.210 631 L C 2.152 179.040 176.870 0.030 0.000 1.073 631 L CA 2.482 57.451 54.840 0.216 0.000 0.748 631 L CB -1.143 41.050 42.059 0.224 0.000 0.891 631 L HN 0.193 nan 8.230 nan 0.000 0.431 632 N N -1.272 117.433 118.700 0.009 0.000 2.424 632 N HA -0.029 4.711 4.740 0.001 0.000 0.178 632 N C 1.410 176.849 175.510 -0.117 0.000 1.060 632 N CA 0.864 53.879 53.050 -0.058 0.000 0.901 632 N CB 0.137 38.587 38.487 -0.063 0.000 0.979 632 N HN 0.172 nan 8.380 nan 0.000 0.451 633 G N -0.265 108.439 108.800 -0.161 0.000 2.868 633 G HA2 0.441 4.401 3.960 0.001 0.000 0.201 633 G HA3 0.441 4.401 3.960 0.001 0.000 0.201 633 G C 0.176 174.914 174.900 -0.270 0.000 1.130 633 G CA 0.090 45.070 45.100 -0.199 0.000 0.777 633 G HN 0.230 nan 8.290 nan 0.000 0.680 642 L N 1.076 122.386 121.223 0.144 0.000 2.021 642 L HA -0.162 4.179 4.340 0.001 0.000 0.215 642 L C 2.261 179.255 176.870 0.207 0.000 1.074 642 L CA 2.262 57.187 54.840 0.141 0.000 0.760 642 L CB -0.372 41.755 42.059 0.113 0.000 0.889 642 L HN 0.205 nan 8.230 nan 0.000 0.433 643 F N 0.701 120.720 119.950 0.116 0.000 2.053 643 F HA -0.209 4.318 4.527 0.001 0.000 0.292 643 F C 2.589 178.542 175.800 0.254 0.000 1.125 643 F CA 1.654 59.760 58.000 0.176 0.000 1.193 643 F CB -0.286 38.789 39.000 0.124 0.000 0.996 643 F HN -0.126 nan 8.300 nan 0.000 0.470 644 K N -0.059 120.516 120.400 0.291 0.000 2.089 644 K HA -0.211 4.109 4.320 0.001 0.000 0.210 644 K C 2.300 179.075 176.600 0.293 0.000 1.048 644 K CA 1.816 58.234 56.287 0.219 0.000 0.926 644 K CB -0.536 32.059 32.500 0.158 0.000 0.714 644 K HN 0.224 nan 8.250 nan 0.000 0.448 645 S N -0.265 115.569 115.700 0.223 0.000 2.382 645 S HA -0.162 4.309 4.470 0.001 0.000 0.228 645 S C 1.724 176.422 174.600 0.163 0.000 1.027 645 S CA 1.167 59.481 58.200 0.190 0.000 0.991 645 S CB -0.257 63.033 63.200 0.150 0.000 0.823 645 S HN 0.376 nan 8.310 nan 0.000 0.469 646 H N -0.016 119.064 119.070 0.017 0.000 2.276 646 H HA -0.048 4.508 4.556 0.001 0.000 0.301 646 H C 1.806 177.101 175.328 -0.055 0.000 1.073 646 H CA 2.035 58.060 56.048 -0.039 0.000 1.311 646 H CB -0.836 28.879 29.762 -0.078 0.000 1.379 646 H HN 0.444 nan 8.280 nan 0.000 0.494 647 Y N 0.373 120.506 120.300 -0.278 0.000 2.029 647 Y HA -0.375 4.176 4.550 0.001 0.000 0.269 647 Y C 2.754 178.584 175.900 -0.117 0.000 1.201 647 Y CA 2.132 60.084 58.100 -0.246 0.000 1.115 647 Y CB -0.626 37.712 38.460 -0.203 0.000 0.945 647 Y HN 0.324 nan 8.280 nan 0.000 0.497 648 L N -0.875 120.492 121.223 0.241 0.000 2.012 648 L HA -0.286 4.055 4.340 0.001 0.000 0.210 648 L C 2.328 179.128 176.870 -0.116 0.000 1.073 648 L CA 2.317 57.119 54.840 -0.065 0.000 0.748 648 L CB -0.672 41.286 42.059 -0.168 0.000 0.891 648 L HN 0.295 nan 8.230 nan 0.000 0.431 649 T N -1.698 112.807 114.554 -0.080 0.000 2.788 649 T HA -0.214 4.136 4.350 0.001 0.000 0.268 649 T C 1.816 176.428 174.700 -0.145 0.000 1.044 649 T CA 1.863 63.909 62.100 -0.090 0.000 1.139 649 T CB -0.400 68.441 68.868 -0.045 0.000 0.867 649 T HN 0.624 nan 8.240 nan 0.000 0.454 650 T N 1.164 115.563 114.554 -0.259 0.000 2.904 650 T HA -0.009 4.342 4.350 0.001 0.000 0.267 650 T C 1.980 176.575 174.700 -0.175 0.000 1.059 650 T CA 0.634 62.574 62.100 -0.266 0.000 1.137 650 T CB -0.404 68.216 68.868 -0.412 0.000 0.879 650 T HN 0.154 nan 8.240 nan 0.000 0.467 651 L N 1.368 122.473 121.223 -0.197 0.000 2.083 651 L HA 0.147 4.488 4.340 0.001 0.000 0.209 651 L C 2.670 179.552 176.870 0.021 0.000 1.083 651 L CA 1.618 56.388 54.840 -0.115 0.000 0.752 651 L CB -1.018 40.939 42.059 -0.171 0.000 0.899 651 L HN 0.176 nan 8.230 nan 0.000 0.433 652 R N 0.124 120.616 120.500 -0.013 0.000 2.073 652 R HA -0.131 4.209 4.340 0.001 0.000 0.234 652 R C 2.290 178.651 176.300 0.101 0.000 1.134 652 R CA 2.068 58.215 56.100 0.079 0.000 0.952 652 R CB -0.644 29.667 30.300 0.019 0.000 0.850 652 R HN 0.500 nan 8.270 nan 0.000 0.433 653 I N 0.656 121.229 120.570 0.005 0.000 2.118 653 I HA -0.346 3.824 4.170 0.001 0.000 0.241 653 I C 2.455 178.548 176.117 -0.039 0.000 1.070 653 I CA 1.520 62.794 61.300 -0.043 0.000 1.327 653 I CB -0.344 37.601 38.000 -0.092 0.000 1.034 653 I HN 0.135 nan 8.210 nan 0.000 0.405 654 I N -0.332 120.250 120.570 0.019 0.000 2.264 654 I HA -0.371 3.800 4.170 0.001 0.000 0.248 654 I C 2.607 178.875 176.117 0.250 0.000 1.111 654 I CA 1.787 63.149 61.300 0.103 0.000 1.382 654 I CB -0.481 37.672 38.000 0.256 0.000 1.060 654 I HN 0.271 nan 8.210 nan 0.000 0.418 655 Y N 1.371 121.776 120.300 0.174 0.000 2.145 655 Y HA -0.301 4.249 4.550 0.001 0.000 0.286 655 Y C 2.745 178.722 175.900 0.128 0.000 1.145 655 Y CA 1.973 60.157 58.100 0.140 0.000 1.148 655 Y CB -0.016 38.534 38.460 0.151 0.000 0.981 655 Y HN 0.076 nan 8.280 nan 0.000 0.507 656 S N -0.711 114.942 115.700 -0.077 0.000 2.383 656 S HA -0.215 4.255 4.470 0.001 0.000 0.227 656 S C 1.972 176.459 174.600 -0.188 0.000 1.026 656 S CA 1.220 59.297 58.200 -0.206 0.000 0.981 656 S CB -0.868 62.255 63.200 -0.128 0.000 0.818 656 S HN 0.611 nan 8.310 nan 0.000 0.472 657 C N 1.837 121.038 119.300 -0.166 0.000 2.419 657 C HA 0.160 4.620 4.460 0.001 0.000 0.281 657 C C 2.357 177.350 174.990 0.004 0.000 1.336 657 C CA 0.331 59.189 59.018 -0.266 0.000 1.770 657 C CB -1.458 25.845 27.740 -0.728 0.000 1.929 657 C HN 0.631 nan 8.230 nan 0.000 0.509 658 A N 0.409 123.317 122.820 0.147 0.000 2.503 658 A HA 0.094 4.414 4.320 0.001 0.000 0.263 658 A C 1.441 178.942 177.584 -0.139 0.000 1.360 658 A CA 0.260 52.409 52.037 0.187 0.000 0.969 658 A CB -0.738 18.378 19.000 0.195 0.000 1.000 658 A HN 0.637 nan 8.150 nan 0.000 0.530 659 N N 0.527 119.026 118.700 -0.334 0.000 2.396 659 N HA -0.022 4.718 4.740 0.001 0.000 0.180 659 N C -1.122 173.898 175.510 -0.816 0.000 1.028 659 N CA 1.314 53.867 53.050 -0.829 0.000 0.893 659 N CB -0.223 37.889 38.487 -0.626 0.000 0.967 659 N HN 0.325 nan 8.380 nan 0.000 0.440 660 P HA 0.106 nan 4.420 nan 0.000 0.214 660 P C 1.057 178.261 177.300 -0.160 0.000 1.144 660 P CA 0.647 63.574 63.100 -0.288 0.000 0.884 660 P CB 0.346 31.954 31.700 -0.154 0.000 0.784 661 V N -0.221 119.651 119.914 -0.069 0.000 0.711 661 V HA -0.431 3.690 4.120 0.001 0.000 0.093 661 V C 1.637 177.833 176.094 0.169 0.000 0.879 661 V CA 3.402 65.726 62.300 0.040 0.000 3.106 661 V CB -2.133 29.711 31.823 0.035 0.000 0.272 661 V HN 0.704 nan 8.190 nan 0.000 0.197 662 H N -0.640 118.464 119.070 0.056 0.000 1.797 662 H HA -0.028 4.529 4.556 0.001 0.000 0.115 662 H C 0.424 175.808 175.328 0.094 0.000 0.752 662 H CA 0.775 56.858 56.048 0.058 0.000 0.412 662 H CB -1.569 28.209 29.762 0.027 0.000 0.314 662 H HN 0.655 nan 8.280 nan 0.000 0.207 663 D N 0.967 120.953 120.400 -0.690 0.000 2.525 663 D HA 0.066 4.706 4.640 0.001 0.000 0.229 663 D C 1.171 177.417 176.300 -0.091 0.000 1.202 663 D CA -0.454 53.325 54.000 -0.368 0.000 0.828 663 D CB -0.562 40.002 40.800 -0.394 0.000 1.008 663 D HN 0.383 nan 8.370 nan 0.000 0.493 664 F N 1.769 121.618 119.950 -0.168 0.000 2.216 664 F HA -0.135 4.393 4.527 0.001 0.000 0.300 664 F C 2.034 177.802 175.800 -0.053 0.000 1.085 664 F CA 1.274 59.194 58.000 -0.133 0.000 1.326 664 F CB 0.216 39.143 39.000 -0.123 0.000 1.027 664 F HN -0.068 nan 8.300 nan 0.000 0.497 665 E N 0.238 120.421 120.200 -0.029 0.000 2.038 665 E HA -0.192 4.159 4.350 0.001 0.000 0.195 665 E C 2.316 178.861 176.600 -0.090 0.000 1.000 665 E CA 2.081 58.443 56.400 -0.063 0.000 0.803 665 E CB -0.499 29.212 29.700 0.020 0.000 0.750 665 E HN 0.385 nan 8.360 nan 0.000 0.448 666 S N 0.050 115.732 115.700 -0.029 0.000 2.359 666 S HA -0.227 4.243 4.470 0.001 0.000 0.224 666 S C 2.056 176.681 174.600 0.042 0.000 1.035 666 S CA 1.685 59.913 58.200 0.047 0.000 1.018 666 S CB -0.366 62.906 63.200 0.119 0.000 0.876 666 S HN 0.286 nan 8.310 nan 0.000 0.448 667 M N 1.166 120.699 119.600 -0.111 0.000 2.108 667 M HA -0.135 4.345 4.480 0.001 0.000 0.261 667 M C 2.387 178.492 176.300 -0.326 0.000 1.066 667 M CA 1.522 56.598 55.300 -0.374 0.000 1.107 667 M CB -1.235 30.811 32.600 -0.924 0.000 1.356 667 M HN 0.306 nan 8.290 nan 0.000 0.406 668 T N 0.486 114.811 114.554 -0.380 0.000 2.746 668 T HA -0.150 4.201 4.350 0.001 0.000 0.267 668 T C 2.143 176.744 174.700 -0.165 0.000 1.039 668 T CA 1.964 63.880 62.100 -0.306 0.000 1.142 668 T CB -0.591 68.112 68.868 -0.275 0.000 0.866 668 T HN 0.649 nan 8.240 nan 0.000 0.444 669 E N 1.639 121.799 120.200 -0.066 0.000 2.012 669 E HA -0.103 4.247 4.350 0.001 0.000 0.197 669 E C 2.141 178.811 176.600 0.117 0.000 1.007 669 E CA 1.489 57.907 56.400 0.031 0.000 0.816 669 E CB -1.234 28.516 29.700 0.083 0.000 0.762 669 E HN 0.539 nan 8.360 nan 0.000 0.451 670 L N -1.209 120.111 121.223 0.163 0.000 2.089 670 L HA -0.244 4.096 4.340 0.001 0.000 0.213 670 L C 2.920 179.853 176.870 0.105 0.000 1.079 670 L CA 2.010 56.976 54.840 0.211 0.000 0.758 670 L CB -0.271 41.954 42.059 0.277 0.000 0.891 670 L HN 0.405 nan 8.230 nan 0.000 0.433 671 M N 0.409 119.978 119.600 -0.051 0.000 2.156 671 M HA -0.177 4.304 4.480 0.001 0.000 0.264 671 M C 1.866 178.043 176.300 -0.205 0.000 1.067 671 M CA 1.818 56.968 55.300 -0.249 0.000 1.131 671 M CB -0.525 31.626 32.600 -0.748 0.000 1.368 671 M HN 0.365 nan 8.290 nan 0.000 0.416 672 N N -2.584 116.018 118.700 -0.164 0.000 2.494 672 N HA -0.136 4.604 4.740 0.001 0.000 0.182 672 N C 1.169 176.588 175.510 -0.152 0.000 1.076 672 N CA 0.618 53.574 53.050 -0.157 0.000 0.908 672 N CB -0.477 37.918 38.487 -0.153 0.000 0.967 672 N HN 0.491 nan 8.380 nan 0.000 0.449 673 H N 1.439 120.489 119.070 -0.033 0.000 2.299 673 H HA 0.109 4.665 4.556 0.001 0.000 0.302 673 H C 2.193 177.532 175.328 0.019 0.000 1.078 673 H CA 1.514 57.571 56.048 0.015 0.000 1.323 673 H CB 0.084 29.874 29.762 0.047 0.000 1.381 673 H HN 0.101 nan 8.280 nan 0.000 0.498 674 I N 0.313 120.928 120.570 0.074 0.000 2.163 674 I HA -0.291 3.880 4.170 0.001 0.000 0.243 674 I C 2.011 178.015 176.117 -0.189 0.000 1.085 674 I CA 1.364 62.582 61.300 -0.137 0.000 1.347 674 I CB -0.333 37.407 38.000 -0.433 0.000 1.044 674 I HN 0.262 nan 8.210 nan 0.000 0.408 675 I N 0.186 120.652 120.570 -0.174 0.000 2.113 675 I HA -0.330 3.840 4.170 0.001 0.000 0.238 675 I C 2.878 178.976 176.117 -0.031 0.000 1.070 675 I CA 1.777 62.997 61.300 -0.134 0.000 1.332 675 I CB -0.511 37.418 38.000 -0.119 0.000 1.044 675 I HN 0.277 nan 8.210 nan 0.000 0.402 676 S N 0.206 115.897 115.700 -0.015 0.000 2.374 676 S HA -0.287 4.184 4.470 0.001 0.000 0.227 676 S C 2.284 176.937 174.600 0.088 0.000 1.037 676 S CA 2.271 60.484 58.200 0.022 0.000 1.024 676 S CB -0.507 62.688 63.200 -0.007 0.000 0.861 676 S HN 0.498 nan 8.310 nan 0.000 0.456 677 S N 0.907 116.699 115.700 0.154 0.000 2.370 677 S HA -0.031 4.439 4.470 0.001 0.000 0.226 677 S C 2.114 176.890 174.600 0.294 0.000 1.033 677 S CA 1.549 59.902 58.200 0.254 0.000 1.011 677 S CB -0.964 62.494 63.200 0.431 0.000 0.852 677 S HN 0.806 nan 8.310 nan 0.000 0.457 678 A N 1.487 124.488 122.820 0.302 0.000 1.902 678 A HA 0.031 4.352 4.320 0.001 0.000 0.217 678 A C 2.093 179.787 177.584 0.183 0.000 1.181 678 A CA 1.519 53.753 52.037 0.329 0.000 0.623 678 A CB -0.849 18.237 19.000 0.142 0.000 0.818 678 A HN 0.639 nan 8.150 nan 0.000 0.443 679 I N -0.402 120.234 120.570 0.109 0.000 2.052 679 I HA -0.337 3.834 4.170 0.001 0.000 0.235 679 I C 2.455 178.618 176.117 0.076 0.000 1.046 679 I CA 1.995 63.340 61.300 0.074 0.000 1.308 679 I CB -0.829 37.199 38.000 0.046 0.000 1.031 679 I HN 0.418 nan 8.210 nan 0.000 0.395 680 E N 0.703 120.948 120.200 0.075 0.000 2.017 680 E HA -0.315 4.035 4.350 0.001 0.000 0.220 680 E C 2.124 178.764 176.600 0.067 0.000 1.032 680 E CA 1.764 58.202 56.400 0.063 0.000 0.888 680 E CB -0.292 29.447 29.700 0.063 0.000 0.801 680 E HN 0.309 nan 8.360 nan 0.000 0.503 681 E N -0.636 119.613 120.200 0.081 0.000 2.368 681 E HA -0.310 4.040 4.350 0.001 0.000 0.222 681 E C 1.309 177.953 176.600 0.074 0.000 1.099 681 E CA 1.587 58.031 56.400 0.072 0.000 0.885 681 E CB -0.472 29.290 29.700 0.103 0.000 0.754 681 E HN 0.595 nan 8.360 nan 0.000 0.466 682 G N -0.141 108.712 108.800 0.088 0.000 2.132 682 G HA2 -0.287 3.674 3.960 0.001 0.000 0.234 682 G HA3 -0.287 3.674 3.960 0.001 0.000 0.234 682 G C 0.413 175.369 174.900 0.092 0.000 0.989 682 G CA 0.405 45.550 45.100 0.075 0.000 0.676 682 G HN 0.273 nan 8.290 nan 0.000 0.522 683 I N 1.354 122.005 120.570 0.136 0.000 2.823 683 I HA 0.482 4.653 4.170 0.001 0.000 0.290 683 I C 0.926 177.119 176.117 0.127 0.000 1.091 683 I CA 0.004 61.402 61.300 0.163 0.000 1.365 683 I CB 1.370 39.541 38.000 0.286 0.000 1.427 683 I HN 0.299 nan 8.210 nan 0.000 0.583 684 S N 4.598 120.365 115.700 0.112 0.000 2.536 684 S HA 0.613 5.083 4.470 0.001 0.000 0.298 684 S C -0.642 173.996 174.600 0.063 0.000 1.083 684 S CA -0.949 57.295 58.200 0.074 0.000 0.995 684 S CB 1.800 65.038 63.200 0.063 0.000 1.058 684 S HN 0.416 nan 8.310 nan 0.000 0.488 685 L N 1.543 122.786 121.223 0.035 0.000 2.395 685 L HA 0.359 4.700 4.340 0.001 0.000 0.269 685 L C 0.356 177.244 176.870 0.029 0.000 1.133 685 L CA -0.359 54.492 54.840 0.019 0.000 0.812 685 L CB 0.783 42.843 42.059 0.002 0.000 1.125 685 L HN 0.834 nan 8.230 nan 0.000 0.452 686 N N 2.337 121.056 118.700 0.030 0.000 2.321 686 N HA 0.050 4.790 4.740 0.001 0.000 0.242 686 N C 0.043 175.569 175.510 0.026 0.000 1.141 686 N CA -0.145 52.929 53.050 0.040 0.000 0.864 686 N CB 0.190 38.719 38.487 0.070 0.000 1.100 686 N HN 0.426 nan 8.380 nan 0.000 0.510 687 K N 0.190 120.599 120.400 0.014 0.000 2.948 687 K HA -0.200 4.121 4.320 0.001 0.000 0.253 687 K C 0.358 176.960 176.600 0.003 0.000 0.970 687 K CA 0.428 56.719 56.287 0.007 0.000 0.716 687 K CB -1.459 31.046 32.500 0.008 0.000 1.249 687 K HN 0.411 nan 8.250 nan 0.000 0.483 688 G N 0.000 108.801 108.800 0.002 0.000 5.446 688 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 688 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 688 G CA 0.000 45.098 45.100 -0.004 0.000 0.502 688 G HN 0.000 nan 8.290 nan 0.000 0.925