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 2bld_1_D DATA FIRST_RESID 52 DATA SEQUENCE RNSIRYSELA PLFDTTRVYL VDNKSTDVAS LNYQNDHSNF LTTVIQNNDY DATA SEQUENCE SPGEASTQTI NLDDRSHWGG DLKTILHTNM PNVNEFMFTN KFKARVMVSR DATA SEQUENCE SLTKDKQVEL KYEWVEFTLP EGNYSETMTI DLMNNAIVEH YLKVGRQNGV DATA SEQUENCE LESDIGVKFD TRNFRLGFDP VTGLVMPGVY TNEAFHPDII LLPGCGVDFT DATA SEQUENCE HSRLSNLLGI RKRQPFQEGF RITYDDLEGG NIPALLDVDA YQASLXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXKKPVIKP LTEDSKKRSY NLISNDSTFT DATA SEQUENCE QYRSWYLAYN YGDPQTGIRS WTLLCTPDVT CGSEQVYWSL PDMMQDPVTF DATA SEQUENCE RSTSQISNFP VVGAELLPVH SKSFYNDQAV YSQLIRQFTS LTHVFNRFPE DATA SEQUENCE NQILARPPAP TITTVSENVP ALTDHGTLPL RNSIGGVQRV TITDARRRTC DATA SEQUENCE PYVYKALGIV SPRVLSSR 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 52 R HA 0.000 nan 4.340 nan 0.000 0.208 52 R C 0.000 176.246 176.300 -0.090 0.000 0.893 52 R CA 0.000 56.036 56.100 -0.107 0.000 0.921 52 R CB 0.000 30.217 30.300 -0.138 0.000 0.687 53 N N 1.007 119.664 118.700 -0.071 0.000 2.550 53 N HA 0.023 4.763 4.740 -0.000 0.000 0.277 53 N C -0.812 174.856 175.510 0.263 0.000 1.595 53 N CA 0.126 53.208 53.050 0.053 0.000 0.888 53 N CB 0.699 39.135 38.487 -0.085 0.000 1.424 53 N HN 0.200 nan 8.380 nan 0.000 0.501 54 S N 0.624 116.460 115.700 0.227 0.000 2.625 54 S HA 0.650 5.120 4.470 -0.000 0.000 0.258 54 S C 0.377 175.172 174.600 0.324 0.000 1.256 54 S CA -0.313 58.089 58.200 0.337 0.000 0.983 54 S CB 0.859 64.210 63.200 0.251 0.000 1.032 54 S HN 0.310 nan 8.310 nan 0.000 0.572 55 I N 0.586 121.289 120.570 0.222 0.000 2.606 55 I HA 0.272 4.442 4.170 -0.000 0.000 0.275 55 I C -0.697 175.446 176.117 0.044 0.000 1.220 55 I CA -0.264 61.039 61.300 0.004 0.000 1.098 55 I CB 1.430 39.401 38.000 -0.049 0.000 1.321 55 I HN 0.541 nan 8.210 nan 0.000 0.468 56 R N 3.839 124.359 120.500 0.033 0.000 2.598 56 R HA 0.665 5.005 4.340 -0.000 0.000 0.279 56 R C -1.486 174.874 176.300 0.099 0.000 0.984 56 R CA -0.726 55.411 56.100 0.062 0.000 0.999 56 R CB 2.314 32.645 30.300 0.051 0.000 1.114 56 R HN 0.391 nan 8.270 nan 0.000 0.493 57 Y N 1.081 121.354 120.300 -0.046 0.000 2.470 57 Y HA 0.188 4.738 4.550 -0.000 0.000 0.341 57 Y C 0.780 176.651 175.900 -0.049 0.000 1.021 57 Y CA -0.329 57.735 58.100 -0.060 0.000 1.025 57 Y CB 1.578 40.000 38.460 -0.063 0.000 1.266 57 Y HN 0.837 nan 8.280 nan 0.000 0.448 58 S N 3.161 118.333 115.700 -0.880 0.000 4.116 58 S HA -0.379 4.091 4.470 -0.000 0.000 0.538 58 S C 0.417 174.792 174.600 -0.375 0.000 0.935 58 S CA 2.275 60.037 58.200 -0.729 0.000 3.405 58 S CB -1.124 61.422 63.200 -1.089 0.000 2.341 58 S HN 0.892 nan 8.310 nan 0.000 0.475 59 E N 1.014 121.025 120.200 -0.315 0.000 2.795 59 E HA 0.614 4.964 4.350 -0.000 0.000 0.226 59 E C -1.143 175.435 176.600 -0.037 0.000 1.088 59 E CA -0.245 56.084 56.400 -0.118 0.000 0.812 59 E CB 0.130 29.790 29.700 -0.067 0.000 1.328 59 E HN 0.465 nan 8.360 nan 0.000 0.410 60 L N 1.103 122.329 121.223 0.005 0.000 2.479 60 L HA 0.637 4.977 4.340 -0.000 0.000 0.255 60 L C -0.181 176.711 176.870 0.037 0.000 1.026 60 L CA -1.222 53.657 54.840 0.066 0.000 0.842 60 L CB 1.871 44.036 42.059 0.177 0.000 1.444 60 L HN 0.400 nan 8.230 nan 0.000 0.409 61 A N 1.778 124.607 122.820 0.015 0.000 2.561 61 A HA 0.377 4.697 4.320 -0.000 0.000 0.234 61 A C -2.382 175.177 177.584 -0.043 0.000 1.055 61 A CA -0.375 51.648 52.037 -0.022 0.000 0.756 61 A CB -0.795 18.174 19.000 -0.052 0.000 0.986 61 A HN 0.367 nan 8.150 nan 0.000 0.505 62 P HA 0.397 nan 4.420 nan 0.000 0.275 62 P C -0.765 176.351 177.300 -0.307 0.000 1.228 62 P CA -0.020 63.054 63.100 -0.044 0.000 0.786 62 P CB 0.588 32.369 31.700 0.135 0.000 0.927 63 L N 2.675 123.783 121.223 -0.190 0.000 2.330 63 L HA 0.572 4.912 4.340 -0.000 0.000 0.271 63 L C -0.231 176.640 176.870 0.003 0.000 1.013 63 L CA -0.684 53.992 54.840 -0.273 0.000 0.816 63 L CB 1.037 43.040 42.059 -0.092 0.000 1.287 63 L HN 0.323 nan 8.230 nan 0.000 0.435 64 F N -0.090 119.898 119.950 0.063 0.000 2.563 64 F HA 0.357 4.884 4.527 -0.000 0.000 0.316 64 F C 0.389 176.257 175.800 0.113 0.000 1.076 64 F CA -0.849 57.210 58.000 0.098 0.000 0.921 64 F CB 1.950 40.994 39.000 0.073 0.000 1.209 64 F HN 0.568 nan 8.300 nan 0.000 0.462 65 D N -0.356 120.280 120.400 0.393 0.000 2.332 65 D HA -0.219 4.421 4.640 -0.000 0.000 0.166 65 D C 0.256 176.722 176.300 0.277 0.000 1.574 65 D CA 2.071 56.230 54.000 0.265 0.000 1.598 65 D CB -0.680 40.221 40.800 0.169 0.000 1.354 65 D HN 0.669 nan 8.370 nan 0.000 0.481 66 T N -2.443 112.250 114.554 0.231 0.000 2.737 66 T HA 0.454 4.804 4.350 -0.000 0.000 0.312 66 T C -1.296 173.442 174.700 0.064 0.000 1.857 66 T CA 0.671 62.870 62.100 0.165 0.000 0.999 66 T CB 1.535 70.473 68.868 0.117 0.000 1.854 66 T HN 0.354 nan 8.240 nan 0.000 0.513 67 T N 0.540 115.097 114.554 0.004 0.000 2.686 67 T HA 0.544 4.894 4.350 -0.000 0.000 0.289 67 T C -2.038 172.589 174.700 -0.121 0.000 1.783 67 T CA -0.558 61.511 62.100 -0.053 0.000 0.966 67 T CB 0.672 69.499 68.868 -0.067 0.000 2.034 67 T HN 0.779 nan 8.240 nan 0.000 0.436 68 R N 0.984 121.363 120.500 -0.201 0.000 2.564 68 R HA 0.623 4.963 4.340 -0.000 0.000 0.284 68 R C -1.094 174.906 176.300 -0.500 0.000 1.031 68 R CA -0.807 55.058 56.100 -0.392 0.000 0.904 68 R CB 2.122 32.089 30.300 -0.556 0.000 1.199 68 R HN 0.644 nan 8.270 nan 0.000 0.443 69 V N -0.035 119.606 119.914 -0.455 0.000 2.483 69 V HA 0.617 4.737 4.120 -0.000 0.000 0.295 69 V C -1.031 174.844 176.094 -0.365 0.000 1.035 69 V CA -0.822 61.289 62.300 -0.315 0.000 0.896 69 V CB 1.165 32.871 31.823 -0.196 0.000 0.986 69 V HN 0.591 nan 8.190 nan 0.000 0.447 70 Y N 3.988 124.251 120.300 -0.062 0.000 2.335 70 Y HA 0.679 5.229 4.550 -0.000 0.000 0.338 70 Y C -0.002 175.883 175.900 -0.025 0.000 0.977 70 Y CA -0.831 57.245 58.100 -0.041 0.000 1.114 70 Y CB 1.915 40.356 38.460 -0.032 0.000 1.182 70 Y HN 0.559 nan 8.280 nan 0.000 0.463 71 L N 5.182 126.488 121.223 0.138 0.000 2.262 71 L HA 0.662 5.002 4.340 -0.000 0.000 0.288 71 L C -0.689 176.286 176.870 0.174 0.000 1.035 71 L CA -0.781 54.124 54.840 0.109 0.000 0.820 71 L CB 1.053 43.141 42.059 0.048 0.000 1.204 71 L HN 0.450 nan 8.230 nan 0.000 0.424 72 V N 3.037 123.065 119.914 0.190 0.000 2.851 72 V HA 0.279 4.399 4.120 -0.000 0.000 0.307 72 V C -0.118 176.074 176.094 0.163 0.000 1.129 72 V CA -0.547 61.846 62.300 0.155 0.000 0.932 72 V CB 2.170 34.023 31.823 0.051 0.000 1.024 72 V HN 0.804 nan 8.190 nan 0.000 0.426 73 D N 3.671 124.058 120.400 -0.022 0.000 2.103 73 D HA -0.141 4.499 4.640 -0.000 0.000 0.199 73 D C 1.304 177.497 176.300 -0.178 0.000 0.978 73 D CA 1.827 55.650 54.000 -0.295 0.000 0.829 73 D CB -0.508 39.677 40.800 -1.025 0.000 0.981 73 D HN 0.742 nan 8.370 nan 0.000 0.464 74 N N 0.866 119.455 118.700 -0.184 0.000 2.089 74 N HA -0.180 4.560 4.740 -0.000 0.000 0.198 74 N C 0.021 175.506 175.510 -0.040 0.000 1.017 74 N CA 1.096 54.083 53.050 -0.105 0.000 0.880 74 N CB -0.391 38.039 38.487 -0.096 0.000 1.042 74 N HN 0.180 nan 8.380 nan 0.000 0.446 75 K N 1.295 121.681 120.400 -0.022 0.000 2.490 75 K HA -0.149 4.171 4.320 -0.000 0.000 0.264 75 K C 0.766 177.373 176.600 0.012 0.000 1.027 75 K CA -0.067 56.220 56.287 -0.000 0.000 1.139 75 K CB 0.215 32.727 32.500 0.020 0.000 0.792 75 K HN 0.212 nan 8.250 nan 0.000 0.479 76 S N 1.981 117.687 115.700 0.011 0.000 2.368 76 S HA -0.182 4.288 4.470 -0.000 0.000 0.225 76 S C 2.181 176.799 174.600 0.030 0.000 1.030 76 S CA 1.924 60.135 58.200 0.020 0.000 0.999 76 S CB -0.290 62.919 63.200 0.015 0.000 0.844 76 S HN 0.878 nan 8.310 nan 0.000 0.459 77 T N 2.384 116.956 114.554 0.030 0.000 2.643 77 T HA -0.214 4.136 4.350 -0.000 0.000 0.264 77 T C 1.664 176.391 174.700 0.045 0.000 1.045 77 T CA 1.627 63.748 62.100 0.035 0.000 1.155 77 T CB -0.982 67.908 68.868 0.037 0.000 0.863 77 T HN 0.535 nan 8.240 nan 0.000 0.420 78 D N 1.719 122.151 120.400 0.053 0.000 2.144 78 D HA -0.098 4.542 4.640 -0.000 0.000 0.199 78 D C 2.199 178.548 176.300 0.083 0.000 0.984 78 D CA 0.961 55.002 54.000 0.068 0.000 0.834 78 D CB -1.067 39.780 40.800 0.079 0.000 0.955 78 D HN 0.419 nan 8.370 nan 0.000 0.465 79 V N 1.546 121.507 119.914 0.077 0.000 2.287 79 V HA -0.266 3.854 4.120 -0.000 0.000 0.248 79 V C 2.886 179.050 176.094 0.116 0.000 1.053 79 V CA 2.088 64.443 62.300 0.092 0.000 1.027 79 V CB -1.130 30.733 31.823 0.068 0.000 0.646 79 V HN 0.435 nan 8.190 nan 0.000 0.447 80 A N 0.685 123.557 122.820 0.086 0.000 1.842 80 A HA -0.262 4.058 4.320 -0.000 0.000 0.217 80 A C 2.442 180.058 177.584 0.053 0.000 1.206 80 A CA 3.172 55.254 52.037 0.076 0.000 0.630 80 A CB -1.056 17.969 19.000 0.043 0.000 0.839 80 A HN 0.681 nan 8.150 nan 0.000 0.447 81 S N 0.251 115.972 115.700 0.036 0.000 2.365 81 S HA 0.024 4.494 4.470 -0.000 0.000 0.194 81 S C 1.731 176.355 174.600 0.041 0.000 1.093 81 S CA 0.920 59.127 58.200 0.012 0.000 1.224 81 S CB -1.358 61.852 63.200 0.017 0.000 0.961 81 S HN 0.428 nan 8.310 nan 0.000 0.412 82 L N 2.322 123.582 121.223 0.062 0.000 2.158 82 L HA -0.224 4.116 4.340 -0.000 0.000 0.249 82 L C 1.069 178.015 176.870 0.128 0.000 1.097 82 L CA 1.589 56.480 54.840 0.086 0.000 0.844 82 L CB -1.613 40.502 42.059 0.093 0.000 0.940 82 L HN 0.498 nan 8.230 nan 0.000 0.436 83 N N -0.923 117.873 118.700 0.159 0.000 2.381 83 N HA -0.002 4.738 4.740 -0.000 0.000 0.241 83 N C 0.044 175.703 175.510 0.248 0.000 1.279 83 N CA 0.453 53.615 53.050 0.187 0.000 0.896 83 N CB 1.338 39.940 38.487 0.191 0.000 1.118 83 N HN 0.495 nan 8.380 nan 0.000 0.438 84 Y N -0.411 119.916 120.300 0.045 0.000 2.980 84 Y HA -0.021 4.529 4.550 -0.000 0.000 0.142 84 Y C 0.595 176.502 175.900 0.013 0.000 0.999 84 Y CA 0.087 58.201 58.100 0.024 0.000 1.833 84 Y CB -0.088 38.384 38.460 0.021 0.000 1.290 84 Y HN 0.466 nan 8.280 nan 0.000 0.258 85 Q N 1.999 121.873 119.800 0.124 0.000 2.373 85 Q HA 0.169 4.509 4.340 -0.000 0.000 0.206 85 Q C -0.307 175.695 176.000 0.003 0.000 0.942 85 Q CA 0.163 55.972 55.803 0.010 0.000 0.953 85 Q CB 0.043 28.840 28.738 0.098 0.000 1.022 85 Q HN 0.307 nan 8.270 nan 0.000 0.502 86 N N 1.298 120.017 118.700 0.032 0.000 2.604 86 N HA 0.285 5.025 4.740 -0.000 0.000 0.297 86 N C -0.634 174.876 175.510 -0.000 0.000 1.266 86 N CA -0.185 52.896 53.050 0.050 0.000 0.961 86 N CB 1.098 39.666 38.487 0.135 0.000 1.166 86 N HN 0.067 nan 8.380 nan 0.000 0.601 87 D N -3.278 117.141 120.400 0.030 0.000 2.626 87 D HA 0.148 4.788 4.640 -0.000 0.000 0.278 87 D C -0.983 175.360 176.300 0.072 0.000 1.211 87 D CA -0.571 53.398 54.000 -0.052 0.000 0.903 87 D CB 0.202 40.922 40.800 -0.132 0.000 1.408 87 D HN 0.414 nan 8.370 nan 0.000 0.454 88 H N -0.163 118.828 119.070 -0.132 0.000 4.757 88 H HA 0.300 4.856 4.556 -0.000 0.000 0.167 88 H C -0.034 175.296 175.328 0.003 0.000 1.205 88 H CA 0.127 56.060 56.048 -0.191 0.000 1.354 88 H CB 0.010 29.632 29.762 -0.232 0.000 1.570 88 H HN 0.333 nan 8.280 nan 0.000 0.884 89 S N 1.182 117.045 115.700 0.272 0.000 2.474 89 S HA -0.047 4.423 4.470 -0.000 0.000 0.223 89 S C -0.604 174.103 174.600 0.180 0.000 0.880 89 S CA -0.483 57.813 58.200 0.160 0.000 1.579 89 S CB 0.193 63.407 63.200 0.023 0.000 1.264 89 S HN 0.549 nan 8.310 nan 0.000 0.616 90 N N 1.115 120.000 118.700 0.309 0.000 3.151 90 N HA 0.352 5.092 4.740 -0.000 0.000 0.219 90 N C -1.047 174.648 175.510 0.307 0.000 1.434 90 N CA -0.282 52.891 53.050 0.205 0.000 0.767 90 N CB 0.130 38.693 38.487 0.127 0.000 1.564 90 N HN 0.388 nan 8.380 nan 0.000 0.612 91 F N 0.300 120.284 119.950 0.056 0.000 2.664 91 F HA 0.745 5.272 4.527 -0.000 0.000 0.317 91 F C -1.342 174.484 175.800 0.044 0.000 1.108 91 F CA -1.120 56.914 58.000 0.057 0.000 0.957 91 F CB 1.316 40.357 39.000 0.067 0.000 1.365 91 F HN -0.054 nan 8.300 nan 0.000 0.475 92 L N 0.917 122.256 121.223 0.194 0.000 2.332 92 L HA 0.837 5.177 4.340 -0.000 0.000 0.269 92 L C -0.378 176.593 176.870 0.167 0.000 1.016 92 L CA -0.863 54.009 54.840 0.053 0.000 0.809 92 L CB 2.083 44.183 42.059 0.069 0.000 1.280 92 L HN 0.937 nan 8.230 nan 0.000 0.447 93 T N -0.440 114.158 114.554 0.072 0.000 2.957 93 T HA 0.353 4.703 4.350 -0.000 0.000 0.336 93 T C -0.895 173.834 174.700 0.049 0.000 1.462 93 T CA -0.510 61.661 62.100 0.118 0.000 1.073 93 T CB 1.559 70.538 68.868 0.185 0.000 1.319 93 T HN 0.761 nan 8.240 nan 0.000 0.485 94 T N 1.274 115.859 114.554 0.051 0.000 2.845 94 T HA 0.522 4.872 4.350 -0.000 0.000 0.288 94 T C 1.183 175.892 174.700 0.016 0.000 0.980 94 T CA -0.589 61.525 62.100 0.024 0.000 1.071 94 T CB 1.232 70.118 68.868 0.029 0.000 0.941 94 T HN 0.369 nan 8.240 nan 0.000 0.487 95 V N 3.203 123.110 119.914 -0.012 0.000 3.506 95 V HA 0.008 4.128 4.120 -0.000 0.000 0.263 95 V C 2.334 178.397 176.094 -0.051 0.000 1.203 95 V CA 0.032 62.319 62.300 -0.022 0.000 1.133 95 V CB -0.817 30.974 31.823 -0.053 0.000 0.802 95 V HN 0.804 nan 8.190 nan 0.000 0.459 96 I N 0.165 120.698 120.570 -0.062 0.000 2.087 96 I HA -0.279 3.891 4.170 -0.000 0.000 0.240 96 I C 1.794 177.846 176.117 -0.109 0.000 1.054 96 I CA 1.446 62.678 61.300 -0.113 0.000 1.311 96 I CB -0.975 36.996 38.000 -0.048 0.000 1.024 96 I HN 0.420 nan 8.210 nan 0.000 0.402 97 Q N -0.142 119.639 119.800 -0.032 0.000 2.452 97 Q HA -0.255 4.085 4.340 -0.000 0.000 0.248 97 Q C 0.251 176.246 176.000 -0.008 0.000 0.874 97 Q CA 0.855 56.647 55.803 -0.018 0.000 1.208 97 Q CB -2.732 25.999 28.738 -0.011 0.000 1.569 97 Q HN 0.817 nan 8.270 nan 0.000 0.579 98 N N 0.615 119.332 118.700 0.028 0.000 2.444 98 N HA 0.144 4.884 4.740 -0.000 0.000 0.262 98 N C 1.185 176.779 175.510 0.140 0.000 0.974 98 N CA -0.111 53.002 53.050 0.104 0.000 0.933 98 N CB 0.540 39.159 38.487 0.219 0.000 1.137 98 N HN 0.101 nan 8.380 nan 0.000 0.498 99 N N 3.647 122.401 118.700 0.090 0.000 2.133 99 N HA -0.195 4.545 4.740 -0.000 0.000 0.193 99 N C -0.325 175.224 175.510 0.065 0.000 1.012 99 N CA 1.511 54.599 53.050 0.063 0.000 0.871 99 N CB -0.024 38.483 38.487 0.033 0.000 1.011 99 N HN 0.673 nan 8.380 nan 0.000 0.435 100 D N -0.590 119.853 120.400 0.071 0.000 2.398 100 D HA 0.073 4.713 4.640 -0.000 0.000 0.264 100 D C -0.080 176.263 176.300 0.073 0.000 1.263 100 D CA 0.055 54.018 54.000 -0.062 0.000 1.037 100 D CB -0.011 40.596 40.800 -0.322 0.000 1.101 100 D HN 0.213 nan 8.370 nan 0.000 0.551 101 Y N -1.066 119.252 120.300 0.030 0.000 2.600 101 Y HA -0.230 4.320 4.550 -0.000 0.000 0.035 101 Y C 0.492 176.408 175.900 0.027 0.000 1.792 101 Y CA -0.379 57.741 58.100 0.032 0.000 1.349 101 Y CB -1.325 37.166 38.460 0.052 0.000 1.999 101 Y HN 0.168 nan 8.280 nan 0.000 0.269 102 S N 4.988 120.786 115.700 0.164 0.000 2.533 102 S HA 0.371 4.841 4.470 -0.000 0.000 0.282 102 S C -2.098 172.565 174.600 0.104 0.000 1.304 102 S CA -1.224 57.036 58.200 0.100 0.000 1.063 102 S CB 1.190 64.431 63.200 0.068 0.000 0.881 102 S HN 0.458 nan 8.310 nan 0.000 0.493 103 P HA 0.156 nan 4.420 nan 0.000 0.269 103 P C 1.256 178.589 177.300 0.054 0.000 1.211 103 P CA 1.125 64.264 63.100 0.064 0.000 0.781 103 P CB 0.062 31.794 31.700 0.053 0.000 0.877 104 G N 1.767 110.593 108.800 0.043 0.000 3.909 104 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.218 104 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.218 104 G C 1.214 176.136 174.900 0.036 0.000 1.404 104 G CA 0.548 45.669 45.100 0.034 0.000 0.905 104 G HN 0.611 nan 8.290 nan 0.000 0.589 105 E N 1.774 122.007 120.200 0.056 0.000 2.265 105 E HA 0.201 4.551 4.350 -0.000 0.000 0.196 105 E C 2.638 179.266 176.600 0.046 0.000 0.996 105 E CA 1.729 58.170 56.400 0.068 0.000 0.832 105 E CB -0.345 29.427 29.700 0.121 0.000 0.756 105 E HN 0.896 nan 8.360 nan 0.000 0.491 106 A N 0.775 123.623 122.820 0.047 0.000 1.872 106 A HA -0.171 4.149 4.320 -0.000 0.000 0.214 106 A C 2.335 179.911 177.584 -0.013 0.000 1.187 106 A CA 1.553 53.592 52.037 0.003 0.000 0.614 106 A CB -0.987 18.034 19.000 0.035 0.000 0.826 106 A HN 0.382 nan 8.150 nan 0.000 0.442 107 S N -0.415 115.287 115.700 0.005 0.000 2.428 107 S HA -0.229 4.241 4.470 -0.000 0.000 0.240 107 S C 1.870 176.463 174.600 -0.011 0.000 1.036 107 S CA 2.516 60.715 58.200 -0.001 0.000 1.009 107 S CB -0.830 62.374 63.200 0.007 0.000 0.803 107 S HN 0.606 nan 8.310 nan 0.000 0.486 108 T N 1.756 116.300 114.554 -0.015 0.000 2.737 108 T HA -0.006 4.344 4.350 -0.000 0.000 0.265 108 T C 1.030 175.706 174.700 -0.041 0.000 1.038 108 T CA 0.910 62.996 62.100 -0.024 0.000 1.144 108 T CB -0.275 68.579 68.868 -0.022 0.000 0.866 108 T HN 0.613 nan 8.240 nan 0.000 0.434 109 Q N 1.263 121.025 119.800 -0.063 0.000 2.700 109 Q HA 0.312 4.652 4.340 -0.000 0.000 0.232 109 Q C 0.108 176.106 176.000 -0.003 0.000 1.110 109 Q CA 0.273 56.039 55.803 -0.062 0.000 1.026 109 Q CB 0.391 29.090 28.738 -0.066 0.000 1.311 109 Q HN 0.510 nan 8.270 nan 0.000 0.583 110 T N -2.714 111.859 114.554 0.032 0.000 2.942 110 T HA 0.541 4.891 4.350 -0.000 0.000 0.327 110 T C -0.746 174.005 174.700 0.086 0.000 1.360 110 T CA -0.819 61.300 62.100 0.032 0.000 1.055 110 T CB 0.554 69.416 68.868 -0.010 0.000 1.261 110 T HN 0.408 nan 8.240 nan 0.000 0.485 111 I N 3.065 123.649 120.570 0.024 0.000 2.325 111 I HA 0.314 4.484 4.170 -0.000 0.000 0.291 111 I C -0.238 175.838 176.117 -0.068 0.000 1.019 111 I CA -0.863 60.434 61.300 -0.005 0.000 1.302 111 I CB 0.742 38.684 38.000 -0.097 0.000 1.401 111 I HN 0.560 nan 8.210 nan 0.000 0.485 112 N N 8.341 127.002 118.700 -0.065 0.000 2.444 112 N HA 0.419 5.159 4.740 -0.000 0.000 0.262 112 N C -0.759 174.629 175.510 -0.204 0.000 0.974 112 N CA -0.478 52.508 53.050 -0.107 0.000 0.933 112 N CB 2.192 40.650 38.487 -0.049 0.000 1.137 112 N HN 0.422 nan 8.380 nan 0.000 0.498 113 L N 1.121 122.128 121.223 -0.360 0.000 2.276 113 L HA 0.184 4.524 4.340 -0.000 0.000 0.286 113 L C 0.849 177.584 176.870 -0.224 0.000 1.061 113 L CA -0.836 53.556 54.840 -0.746 0.000 0.807 113 L CB 0.580 41.679 42.059 -1.601 0.000 1.177 113 L HN 0.370 nan 8.230 nan 0.000 0.429 114 D N 2.430 122.897 120.400 0.111 0.000 2.973 114 D HA -0.222 4.418 4.640 -0.000 0.000 0.214 114 D C 0.805 177.299 176.300 0.324 0.000 1.079 114 D CA 0.601 54.777 54.000 0.293 0.000 0.797 114 D CB 0.725 41.761 40.800 0.393 0.000 1.168 114 D HN 0.580 nan 8.370 nan 0.000 0.515 115 D N 3.256 123.746 120.400 0.150 0.000 2.149 115 D HA -0.097 4.543 4.640 -0.000 0.000 0.201 115 D C 1.538 177.869 176.300 0.051 0.000 0.972 115 D CA 0.659 54.718 54.000 0.098 0.000 0.835 115 D CB 0.185 41.013 40.800 0.046 0.000 0.966 115 D HN 0.485 nan 8.370 nan 0.000 0.476 116 R N -0.070 120.447 120.500 0.029 0.000 2.377 116 R HA 0.047 4.387 4.340 -0.000 0.000 0.207 116 R C 0.382 176.607 176.300 -0.125 0.000 1.075 116 R CA 0.314 56.386 56.100 -0.047 0.000 1.035 116 R CB 0.084 30.359 30.300 -0.041 0.000 0.857 116 R HN -0.024 nan 8.270 nan 0.000 0.475 117 S N -0.306 115.327 115.700 -0.111 0.000 2.570 117 S HA 0.320 4.790 4.470 -0.000 0.000 0.286 117 S C -0.961 173.487 174.600 -0.252 0.000 1.099 117 S CA -0.929 57.103 58.200 -0.279 0.000 0.913 117 S CB 1.948 64.889 63.200 -0.432 0.000 1.085 117 S HN 0.127 nan 8.310 nan 0.000 0.480 118 H N 0.657 119.659 119.070 -0.113 0.000 2.668 118 H HA 0.254 4.810 4.556 -0.000 0.000 0.303 118 H C -0.921 174.368 175.328 -0.066 0.000 1.074 118 H CA -0.252 55.795 56.048 -0.001 0.000 1.406 118 H CB 0.324 30.082 29.762 -0.006 0.000 1.442 118 H HN 0.527 nan 8.280 nan 0.000 0.482 119 W N 1.591 122.952 121.300 0.102 0.000 2.390 119 W HA 0.544 5.204 4.660 -0.000 0.000 0.362 119 W C 0.655 177.194 176.519 0.033 0.000 1.206 119 W CA -0.388 56.985 57.345 0.047 0.000 1.355 119 W CB 1.190 30.662 29.460 0.021 0.000 1.278 119 W HN 0.663 nan 8.180 nan 0.000 0.653 120 G N -0.787 108.192 108.800 0.297 0.000 2.692 120 G HA2 0.631 4.591 3.960 -0.000 0.000 0.291 120 G HA3 0.631 4.591 3.960 -0.000 0.000 0.291 120 G C -1.549 173.434 174.900 0.138 0.000 1.423 120 G CA -0.642 44.550 45.100 0.153 0.000 0.843 120 G HN 0.723 nan 8.290 nan 0.000 0.486 121 G N -0.226 108.612 108.800 0.063 0.000 2.682 121 G HA2 0.564 4.524 3.960 -0.000 0.000 0.300 121 G HA3 0.564 4.524 3.960 -0.000 0.000 0.300 121 G C -1.325 173.572 174.900 -0.004 0.000 1.391 121 G CA -0.646 44.472 45.100 0.029 0.000 0.990 121 G HN 0.433 nan 8.290 nan 0.000 0.501 122 D N 0.516 120.908 120.400 -0.013 0.000 2.350 122 D HA 0.252 4.892 4.640 -0.000 0.000 0.249 122 D C -0.537 175.734 176.300 -0.048 0.000 1.119 122 D CA 0.104 54.090 54.000 -0.024 0.000 0.886 122 D CB 2.730 43.516 40.800 -0.023 0.000 1.195 122 D HN 0.187 nan 8.370 nan 0.000 0.437 123 L N 2.817 124.013 121.223 -0.045 0.000 2.388 123 L HA 0.236 4.576 4.340 -0.000 0.000 0.267 123 L C -0.647 176.194 176.870 -0.049 0.000 0.995 123 L CA -0.564 54.230 54.840 -0.077 0.000 0.864 123 L CB 0.687 42.672 42.059 -0.123 0.000 1.216 123 L HN 0.165 nan 8.230 nan 0.000 0.430 124 K N 2.604 122.960 120.400 -0.072 0.000 2.156 124 K HA 0.848 5.168 4.320 -0.000 0.000 0.254 124 K C -0.454 176.087 176.600 -0.097 0.000 0.950 124 K CA -0.672 55.570 56.287 -0.075 0.000 0.849 124 K CB 1.749 34.212 32.500 -0.062 0.000 1.100 124 K HN 0.572 nan 8.250 nan 0.000 0.434 125 T N -1.588 112.907 114.554 -0.099 0.000 2.901 125 T HA 0.606 4.956 4.350 -0.000 0.000 0.293 125 T C -0.313 174.423 174.700 0.061 0.000 1.084 125 T CA -0.958 61.084 62.100 -0.097 0.000 1.008 125 T CB 0.906 69.527 68.868 -0.412 0.000 1.170 125 T HN 0.508 nan 8.240 nan 0.000 0.509 126 I N 2.135 122.790 120.570 0.141 0.000 2.420 126 I HA 0.428 4.598 4.170 -0.000 0.000 0.282 126 I C -1.227 175.047 176.117 0.262 0.000 1.019 126 I CA -0.894 60.501 61.300 0.158 0.000 1.130 126 I CB 1.542 39.596 38.000 0.090 0.000 1.262 126 I HN 0.476 nan 8.210 nan 0.000 0.454 127 L N 7.056 128.462 121.223 0.304 0.000 2.329 127 L HA 0.548 4.888 4.340 -0.000 0.000 0.279 127 L C -0.968 176.071 176.870 0.282 0.000 1.014 127 L CA -0.070 54.960 54.840 0.316 0.000 0.814 127 L CB 1.357 43.639 42.059 0.372 0.000 1.257 127 L HN 0.527 nan 8.230 nan 0.000 0.424 128 H N 2.945 122.088 119.070 0.120 0.000 2.934 128 H HA 0.477 5.033 4.556 -0.000 0.000 0.340 128 H C -1.046 174.385 175.328 0.172 0.000 1.008 128 H CA -0.132 55.998 56.048 0.136 0.000 1.317 128 H CB 1.427 31.283 29.762 0.157 0.000 1.670 128 H HN 0.844 nan 8.280 nan 0.000 0.516 129 T N 1.011 115.564 114.554 -0.001 0.000 2.780 129 T HA 0.332 4.682 4.350 -0.000 0.000 0.263 129 T C 0.227 174.824 174.700 -0.172 0.000 0.993 129 T CA -0.655 61.425 62.100 -0.035 0.000 1.010 129 T CB 1.077 69.995 68.868 0.084 0.000 1.642 129 T HN 0.846 nan 8.240 nan 0.000 0.587 130 N N -1.171 117.536 118.700 0.012 0.000 3.444 130 N HA 0.054 4.794 4.740 -0.000 0.000 0.148 130 N C -0.797 174.797 175.510 0.141 0.000 1.071 130 N CA -0.429 52.636 53.050 0.025 0.000 2.391 130 N CB -0.258 38.204 38.487 -0.042 0.000 1.507 130 N HN 0.611 nan 8.380 nan 0.000 0.732 131 M N 1.380 121.013 119.600 0.056 0.000 2.216 131 M HA 0.470 4.950 4.480 -0.000 0.000 0.356 131 M C -2.665 173.548 176.300 -0.145 0.000 1.205 131 M CA -1.117 54.025 55.300 -0.264 0.000 1.122 131 M CB 0.995 33.357 32.600 -0.396 0.000 1.571 131 M HN -0.015 nan 8.290 nan 0.000 0.464 132 P HA 0.143 nan 4.420 nan 0.000 0.275 132 P C -0.214 176.855 177.300 -0.385 0.000 1.227 132 P CA 0.018 63.044 63.100 -0.123 0.000 0.781 132 P CB 0.500 32.148 31.700 -0.086 0.000 0.906 133 N N 1.786 120.014 118.700 -0.788 0.000 2.036 133 N HA -0.151 4.589 4.740 -0.000 0.000 0.199 133 N C -0.339 174.927 175.510 -0.406 0.000 1.036 133 N CA 1.070 53.760 53.050 -0.600 0.000 0.870 133 N CB 0.049 37.968 38.487 -0.946 0.000 1.055 133 N HN 0.100 nan 8.380 nan 0.000 0.436 134 V N 1.839 121.486 119.914 -0.444 0.000 2.313 134 V HA 0.316 4.436 4.120 -0.000 0.000 0.278 134 V C -0.714 175.298 176.094 -0.138 0.000 1.017 134 V CA -0.783 61.379 62.300 -0.230 0.000 0.823 134 V CB 0.815 32.526 31.823 -0.187 0.000 1.010 134 V HN 0.482 nan 8.190 nan 0.000 0.443 135 N N 2.318 120.974 118.700 -0.073 0.000 2.774 135 N HA 0.285 5.025 4.740 -0.000 0.000 0.264 135 N C 0.498 176.069 175.510 0.102 0.000 1.415 135 N CA -0.882 52.184 53.050 0.026 0.000 0.815 135 N CB 1.637 40.141 38.487 0.028 0.000 1.514 135 N HN 0.347 nan 8.380 nan 0.000 0.523 136 E N -0.515 119.790 120.200 0.175 0.000 2.072 136 E HA -0.113 4.237 4.350 -0.000 0.000 0.190 136 E C 1.099 177.860 176.600 0.269 0.000 0.982 136 E CA 0.754 57.286 56.400 0.220 0.000 0.803 136 E CB -0.184 29.635 29.700 0.199 0.000 0.755 136 E HN 0.509 nan 8.360 nan 0.000 0.453 137 F N 0.746 120.754 119.950 0.097 0.000 2.171 137 F HA -0.117 4.410 4.527 -0.000 0.000 0.300 137 F C 1.838 177.479 175.800 -0.265 0.000 1.090 137 F CA 1.150 59.139 58.000 -0.018 0.000 1.293 137 F CB 0.029 39.087 39.000 0.097 0.000 1.013 137 F HN 0.056 nan 8.300 nan 0.000 0.486 138 M N -0.480 118.868 119.600 -0.421 0.000 2.556 138 M HA 0.095 4.575 4.480 -0.000 0.000 0.245 138 M C 0.129 176.259 176.300 -0.283 0.000 1.128 138 M CA 0.320 55.265 55.300 -0.593 0.000 1.069 138 M CB -1.428 30.982 32.600 -0.318 0.000 1.469 138 M HN 0.356 nan 8.290 nan 0.000 0.494 139 F N 0.773 120.656 119.950 -0.112 0.000 2.950 139 F HA -0.245 4.282 4.527 -0.000 0.000 0.334 139 F C 0.639 176.426 175.800 -0.021 0.000 0.979 139 F CA 0.333 58.307 58.000 -0.044 0.000 1.140 139 F CB -2.265 36.708 39.000 -0.045 0.000 1.281 139 F HN 0.287 nan 8.300 nan 0.000 0.734 140 T N -4.062 110.584 114.554 0.152 0.000 3.209 140 T HA 0.093 4.443 4.350 -0.000 0.000 0.295 140 T C 0.905 175.644 174.700 0.066 0.000 0.977 140 T CA 0.330 62.469 62.100 0.064 0.000 0.922 140 T CB 0.058 68.907 68.868 -0.031 0.000 1.152 140 T HN 0.455 nan 8.240 nan 0.000 0.527 141 N N 0.808 119.579 118.700 0.117 0.000 2.184 141 N HA 0.209 4.949 4.740 -0.000 0.000 0.206 141 N C -0.022 175.591 175.510 0.171 0.000 1.151 141 N CA -0.429 52.693 53.050 0.120 0.000 0.878 141 N CB 0.542 39.093 38.487 0.107 0.000 1.014 141 N HN 0.369 nan 8.380 nan 0.000 0.512 142 K N 0.137 120.653 120.400 0.194 0.000 2.433 142 K HA 0.557 4.877 4.320 -0.000 0.000 0.252 142 K C -1.551 175.250 176.600 0.335 0.000 1.015 142 K CA -0.857 55.548 56.287 0.196 0.000 0.860 142 K CB 2.248 34.789 32.500 0.069 0.000 1.359 142 K HN 0.106 nan 8.250 nan 0.000 0.452 143 F N -1.410 118.570 119.950 0.050 0.000 2.637 143 F HA 0.325 4.852 4.527 -0.000 0.000 0.316 143 F C -1.722 174.091 175.800 0.022 0.000 1.023 143 F CA -1.095 56.896 58.000 -0.015 0.000 1.071 143 F CB 0.598 39.581 39.000 -0.028 0.000 1.319 143 F HN 0.194 nan 8.300 nan 0.000 0.541 144 K N 3.194 123.530 120.400 -0.108 0.000 2.174 144 K HA 0.873 5.193 4.320 -0.000 0.000 0.275 144 K C -0.522 176.146 176.600 0.113 0.000 1.015 144 K CA -0.436 55.775 56.287 -0.127 0.000 0.933 144 K CB 1.713 34.132 32.500 -0.135 0.000 1.025 144 K HN 0.899 nan 8.250 nan 0.000 0.463 145 A N 2.544 125.524 122.820 0.268 0.000 2.594 145 A HA 0.509 4.829 4.320 -0.000 0.000 0.295 145 A C -1.396 176.355 177.584 0.279 0.000 1.071 145 A CA -0.787 51.507 52.037 0.427 0.000 0.685 145 A CB 1.501 20.827 19.000 0.544 0.000 1.285 145 A HN 0.747 nan 8.150 nan 0.000 0.405 146 R N 0.783 121.228 120.500 -0.092 0.000 2.295 146 R HA 0.622 4.962 4.340 -0.000 0.000 0.324 146 R C -0.574 175.619 176.300 -0.178 0.000 0.968 146 R CA -0.296 55.529 56.100 -0.458 0.000 0.837 146 R CB 1.088 30.582 30.300 -1.343 0.000 1.133 146 R HN 0.973 nan 8.270 nan 0.000 0.450 147 V N 1.241 121.127 119.914 -0.048 0.000 3.158 147 V HA 0.573 4.693 4.120 -0.000 0.000 0.315 147 V C -0.085 176.109 176.094 0.167 0.000 1.148 147 V CA -1.334 61.012 62.300 0.077 0.000 1.042 147 V CB 1.892 33.764 31.823 0.082 0.000 1.101 147 V HN 0.819 nan 8.190 nan 0.000 0.448 148 M N 1.214 120.910 119.600 0.161 0.000 2.185 148 M HA 0.400 4.880 4.480 -0.000 0.000 0.357 148 M C 0.015 176.325 176.300 0.018 0.000 1.260 148 M CA -0.090 55.167 55.300 -0.073 0.000 1.124 148 M CB 1.544 34.023 32.600 -0.202 0.000 1.600 148 M HN 0.699 nan 8.290 nan 0.000 0.467 149 V N 2.172 122.052 119.914 -0.056 0.000 2.690 149 V HA 0.134 4.254 4.120 -0.000 0.000 0.240 149 V C 0.464 176.537 176.094 -0.035 0.000 1.078 149 V CA 0.983 63.296 62.300 0.023 0.000 1.102 149 V CB 0.572 32.410 31.823 0.025 0.000 0.800 149 V HN 0.936 nan 8.190 nan 0.000 0.479 150 S N 0.380 116.018 115.700 -0.104 0.000 2.541 150 S HA 0.742 5.212 4.470 -0.000 0.000 0.280 150 S C -0.870 173.655 174.600 -0.125 0.000 1.112 150 S CA -0.741 57.404 58.200 -0.093 0.000 0.925 150 S CB 2.747 65.905 63.200 -0.070 0.000 1.067 150 S HN 0.333 nan 8.310 nan 0.000 0.479 151 R N 1.560 122.010 120.500 -0.085 0.000 2.360 151 R HA 0.669 5.008 4.340 -0.000 0.000 0.318 151 R C -0.741 175.527 176.300 -0.053 0.000 0.950 151 R CA -0.015 56.039 56.100 -0.077 0.000 0.837 151 R CB 1.263 31.532 30.300 -0.052 0.000 1.165 151 R HN 0.981 nan 8.270 nan 0.000 0.458 152 S N 3.309 118.980 115.700 -0.049 0.000 2.632 152 S HA 0.510 4.980 4.470 -0.000 0.000 0.289 152 S C -1.296 173.288 174.600 -0.027 0.000 1.115 152 S CA -1.003 57.176 58.200 -0.036 0.000 0.889 152 S CB 1.657 64.837 63.200 -0.034 0.000 1.116 152 S HN 0.425 nan 8.310 nan 0.000 0.486 153 L N 2.129 123.339 121.223 -0.022 0.000 2.255 153 L HA 0.660 5.000 4.340 -0.000 0.000 0.289 153 L C -0.549 176.312 176.870 -0.015 0.000 1.046 153 L CA 0.658 55.488 54.840 -0.017 0.000 0.816 153 L CB 0.508 42.558 42.059 -0.015 0.000 1.197 153 L HN 0.976 nan 8.230 nan 0.000 0.427 154 T N 3.299 117.846 114.554 -0.012 0.000 2.901 154 T HA 0.344 4.694 4.350 -0.000 0.000 0.293 154 T C -0.507 174.189 174.700 -0.007 0.000 1.084 154 T CA -0.987 61.107 62.100 -0.010 0.000 1.008 154 T CB 1.770 70.631 68.868 -0.010 0.000 1.170 154 T HN 0.440 nan 8.240 nan 0.000 0.509 155 K N 2.650 123.046 120.400 -0.006 0.000 3.679 155 K HA -0.306 4.014 4.320 -0.000 0.000 0.274 155 K C 0.037 176.634 176.600 -0.004 0.000 0.839 155 K CA 0.765 57.050 56.287 -0.004 0.000 0.663 155 K CB -1.153 31.346 32.500 -0.002 0.000 1.638 155 K HN 0.785 nan 8.250 nan 0.000 0.443 156 D N -1.471 118.927 120.400 -0.005 0.000 4.018 156 D HA -0.252 4.388 4.640 -0.000 0.000 0.207 156 D C 0.859 177.157 176.300 -0.004 0.000 1.219 156 D CA 2.312 56.309 54.000 -0.004 0.000 2.366 156 D CB -0.673 40.125 40.800 -0.003 0.000 1.202 156 D HN 0.577 nan 8.370 nan 0.000 0.414 157 K N 0.537 120.935 120.400 -0.003 0.000 2.412 157 K HA 0.186 4.506 4.320 -0.000 0.000 0.202 157 K C 0.418 177.017 176.600 -0.003 0.000 1.102 157 K CA -0.074 56.211 56.287 -0.003 0.000 1.027 157 K CB 0.783 33.282 32.500 -0.002 0.000 0.931 157 K HN 0.303 nan 8.250 nan 0.000 0.557 158 Q N 1.769 121.568 119.800 -0.003 0.000 2.352 158 Q HA 0.115 4.455 4.340 -0.000 0.000 0.260 158 Q C -0.177 175.820 176.000 -0.006 0.000 0.976 158 Q CA -0.264 55.538 55.803 -0.002 0.000 0.881 158 Q CB 1.310 30.047 28.738 -0.001 0.000 1.235 158 Q HN -0.015 nan 8.270 nan 0.000 0.419 159 V N -0.364 119.547 119.914 -0.005 0.000 2.311 159 V HA 0.349 4.469 4.120 -0.000 0.000 0.275 159 V C -0.363 175.723 176.094 -0.012 0.000 1.022 159 V CA -0.673 61.620 62.300 -0.011 0.000 0.830 159 V CB 1.061 32.879 31.823 -0.009 0.000 1.012 159 V HN 0.760 nan 8.190 nan 0.000 0.452 160 E N 5.079 125.267 120.200 -0.021 0.000 2.081 160 E HA 0.494 4.844 4.350 -0.000 0.000 0.281 160 E C -1.072 175.496 176.600 -0.053 0.000 0.986 160 E CA -0.585 55.801 56.400 -0.024 0.000 0.796 160 E CB 1.185 30.873 29.700 -0.020 0.000 1.085 160 E HN 0.839 nan 8.360 nan 0.000 0.398 161 L N 5.115 126.304 121.223 -0.057 0.000 2.272 161 L HA 0.411 4.751 4.340 -0.000 0.000 0.289 161 L C -0.065 176.707 176.870 -0.163 0.000 1.032 161 L CA -0.739 54.006 54.840 -0.158 0.000 0.810 161 L CB 0.983 42.964 42.059 -0.130 0.000 1.205 161 L HN 0.259 nan 8.230 nan 0.000 0.422 162 K N 4.182 124.431 120.400 -0.252 0.000 2.394 162 K HA 0.459 4.779 4.320 -0.000 0.000 0.260 162 K C -1.175 175.280 176.600 -0.241 0.000 0.967 162 K CA -0.509 55.692 56.287 -0.144 0.000 0.855 162 K CB 1.838 34.294 32.500 -0.073 0.000 1.101 162 K HN 0.261 nan 8.250 nan 0.000 0.433 163 Y N 0.433 120.702 120.300 -0.052 0.000 2.487 163 Y HA 0.445 4.995 4.550 -0.000 0.000 0.337 163 Y C 0.523 176.359 175.900 -0.107 0.000 1.076 163 Y CA -0.633 57.412 58.100 -0.092 0.000 1.115 163 Y CB 2.116 40.486 38.460 -0.150 0.000 1.235 163 Y HN 0.534 nan 8.280 nan 0.000 0.468 164 E N 0.964 121.185 120.200 0.034 0.000 2.392 164 E HA 0.312 4.662 4.350 -0.000 0.000 0.279 164 E C -2.030 174.517 176.600 -0.087 0.000 0.964 164 E CA -0.792 55.600 56.400 -0.014 0.000 0.777 164 E CB 1.356 31.088 29.700 0.052 0.000 1.249 164 E HN 0.607 nan 8.360 nan 0.000 0.449 165 W N 2.200 123.490 121.300 -0.016 0.000 2.313 165 W HA 0.534 5.194 4.660 -0.000 0.000 0.328 165 W C -0.323 176.094 176.519 -0.170 0.000 1.197 165 W CA -0.211 57.086 57.345 -0.081 0.000 1.235 165 W CB 1.486 30.902 29.460 -0.073 0.000 1.158 165 W HN 0.236 nan 8.180 nan 0.000 0.578 166 V N 2.466 122.356 119.914 -0.041 0.000 3.077 166 V HA 0.323 4.443 4.120 -0.000 0.000 0.299 166 V C -1.338 174.301 176.094 -0.758 0.000 1.276 166 V CA -0.990 61.092 62.300 -0.365 0.000 0.993 166 V CB 1.969 33.510 31.823 -0.469 0.000 1.076 166 V HN 0.584 nan 8.190 nan 0.000 0.434 167 E N 4.903 124.724 120.200 -0.632 0.000 2.081 167 E HA 0.501 4.851 4.350 -0.000 0.000 0.276 167 E C -1.514 174.689 176.600 -0.663 0.000 0.950 167 E CA -0.538 55.491 56.400 -0.620 0.000 0.776 167 E CB 0.757 30.282 29.700 -0.291 0.000 1.094 167 E HN 0.546 nan 8.360 nan 0.000 0.402 168 F N 1.935 121.645 119.950 -0.400 0.000 2.397 168 F HA 0.362 4.889 4.527 -0.000 0.000 0.331 168 F C 0.955 176.653 175.800 -0.169 0.000 1.090 168 F CA -0.793 57.039 58.000 -0.280 0.000 1.065 168 F CB 1.401 40.192 39.000 -0.348 0.000 1.184 168 F HN 0.230 nan 8.300 nan 0.000 0.499 169 T N 0.347 114.994 114.554 0.155 0.000 2.932 169 T HA 0.829 5.179 4.350 -0.000 0.000 0.289 169 T C -0.820 173.985 174.700 0.174 0.000 1.039 169 T CA -0.896 61.292 62.100 0.148 0.000 1.024 169 T CB 1.378 70.301 68.868 0.092 0.000 1.090 169 T HN 0.556 nan 8.240 nan 0.000 0.496 170 L N 1.775 123.093 121.223 0.157 0.000 2.322 170 L HA 0.597 4.937 4.340 -0.000 0.000 0.269 170 L C -2.154 174.770 176.870 0.091 0.000 1.012 170 L CA -2.715 52.201 54.840 0.127 0.000 0.815 170 L CB 2.224 44.349 42.059 0.109 0.000 1.295 170 L HN 0.556 nan 8.230 nan 0.000 0.438 171 P HA 0.144 nan 4.420 nan 0.000 0.280 171 P C -0.552 176.780 177.300 0.052 0.000 1.386 171 P CA -0.387 62.753 63.100 0.067 0.000 0.899 171 P CB 0.495 32.236 31.700 0.068 0.000 1.098 172 E N 1.817 122.050 120.200 0.054 0.000 2.864 172 E HA -0.028 4.322 4.350 -0.000 0.000 0.285 172 E C 1.318 177.937 176.600 0.032 0.000 0.965 172 E CA 1.729 58.153 56.400 0.040 0.000 0.985 172 E CB -0.085 29.662 29.700 0.078 0.000 1.000 172 E HN 0.771 nan 8.360 nan 0.000 0.475 173 G N 3.078 111.859 108.800 -0.031 0.000 4.731 173 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.266 173 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.266 173 G C -0.254 174.564 174.900 -0.137 0.000 1.635 173 G CA -0.062 45.049 45.100 0.019 0.000 1.229 173 G HN 0.828 nan 8.290 nan 0.000 0.663 174 N N 2.115 120.845 118.700 0.050 0.000 2.972 174 N HA -0.010 4.730 4.740 -0.000 0.000 0.295 174 N C 0.353 175.851 175.510 -0.020 0.000 1.162 174 N CA 1.360 54.452 53.050 0.069 0.000 0.895 174 N CB -1.087 37.413 38.487 0.022 0.000 1.022 174 N HN 0.700 nan 8.380 nan 0.000 0.610 175 Y N 1.032 121.305 120.300 -0.044 0.000 2.360 175 Y HA 0.172 4.722 4.550 -0.000 0.000 0.433 175 Y C 1.633 177.490 175.900 -0.072 0.000 1.305 175 Y CA 0.054 58.123 58.100 -0.052 0.000 1.980 175 Y CB -0.577 37.860 38.460 -0.039 0.000 1.700 175 Y HN 0.683 nan 8.280 nan 0.000 0.700 176 S N -0.587 115.188 115.700 0.124 0.000 3.339 176 S HA -0.188 4.282 4.470 -0.000 0.000 0.856 176 S C 0.811 175.380 174.600 -0.051 0.000 1.139 176 S CA 0.466 58.677 58.200 0.019 0.000 1.044 176 S CB -0.480 62.706 63.200 -0.023 0.000 0.721 176 S HN 0.785 nan 8.310 nan 0.000 0.267 177 E N 2.828 122.988 120.200 -0.067 0.000 2.021 177 E HA -0.079 4.271 4.350 -0.000 0.000 0.189 177 E C 1.821 178.332 176.600 -0.148 0.000 0.980 177 E CA 1.277 57.607 56.400 -0.117 0.000 0.803 177 E CB -1.047 28.582 29.700 -0.117 0.000 0.766 177 E HN 0.726 nan 8.360 nan 0.000 0.449 178 T N 1.887 116.361 114.554 -0.135 0.000 2.597 178 T HA -0.281 4.069 4.350 -0.000 0.000 0.267 178 T C 1.861 176.445 174.700 -0.194 0.000 1.053 178 T CA 2.116 64.123 62.100 -0.156 0.000 1.165 178 T CB -0.392 68.392 68.868 -0.140 0.000 0.863 178 T HN 0.217 nan 8.240 nan 0.000 0.427 179 M N 0.755 120.238 119.600 -0.196 0.000 2.202 179 M HA -0.172 4.308 4.480 -0.000 0.000 0.262 179 M C 2.116 178.283 176.300 -0.222 0.000 1.063 179 M CA 1.536 56.684 55.300 -0.252 0.000 1.097 179 M CB -0.477 32.002 32.600 -0.201 0.000 1.382 179 M HN 0.231 nan 8.290 nan 0.000 0.413 180 T N 1.065 115.509 114.554 -0.183 0.000 2.788 180 T HA -0.111 4.239 4.350 -0.000 0.000 0.268 180 T C 1.637 176.195 174.700 -0.237 0.000 1.044 180 T CA 1.567 63.554 62.100 -0.188 0.000 1.139 180 T CB -0.366 68.381 68.868 -0.201 0.000 0.867 180 T HN 0.417 nan 8.240 nan 0.000 0.454 181 I N 1.428 121.846 120.570 -0.252 0.000 2.099 181 I HA -0.219 3.951 4.170 -0.000 0.000 0.239 181 I C 2.333 178.335 176.117 -0.190 0.000 1.066 181 I CA 1.528 62.663 61.300 -0.276 0.000 1.324 181 I CB -0.519 37.362 38.000 -0.198 0.000 1.037 181 I HN 0.143 nan 8.210 nan 0.000 0.401 182 D N 1.081 121.374 120.400 -0.177 0.000 2.157 182 D HA -0.224 4.416 4.640 -0.000 0.000 0.191 182 D C 2.181 178.516 176.300 0.058 0.000 1.004 182 D CA 1.460 55.382 54.000 -0.129 0.000 0.854 182 D CB -0.515 39.968 40.800 -0.528 0.000 0.936 182 D HN 0.264 nan 8.370 nan 0.000 0.446 183 L N -0.430 120.797 121.223 0.006 0.000 2.127 183 L HA -0.170 4.170 4.340 -0.000 0.000 0.211 183 L C 2.428 179.352 176.870 0.090 0.000 1.089 183 L CA 0.901 55.818 54.840 0.128 0.000 0.757 183 L CB -0.292 41.801 42.059 0.057 0.000 0.899 183 L HN 0.106 nan 8.230 nan 0.000 0.434 184 M N -1.000 118.581 119.600 -0.031 0.000 2.081 184 M HA -0.166 4.314 4.480 -0.000 0.000 0.261 184 M C 2.129 178.502 176.300 0.122 0.000 1.075 184 M CA 1.519 56.798 55.300 -0.035 0.000 1.133 184 M CB -0.536 31.714 32.600 -0.583 0.000 1.330 184 M HN 0.218 nan 8.290 nan 0.000 0.414 185 N N 0.970 119.755 118.700 0.142 0.000 2.091 185 N HA -0.227 4.513 4.740 -0.000 0.000 0.193 185 N C 1.385 176.944 175.510 0.082 0.000 1.021 185 N CA 1.954 55.104 53.050 0.166 0.000 0.862 185 N CB -0.816 37.746 38.487 0.125 0.000 1.018 185 N HN 0.410 nan 8.380 nan 0.000 0.429 186 N N 0.803 119.571 118.700 0.113 0.000 2.149 186 N HA -0.107 4.633 4.740 -0.000 0.000 0.188 186 N C 1.524 177.068 175.510 0.057 0.000 1.019 186 N CA 1.624 54.716 53.050 0.070 0.000 0.857 186 N CB -0.210 38.343 38.487 0.110 0.000 0.997 186 N HN 0.208 nan 8.380 nan 0.000 0.426 187 A N 0.315 123.177 122.820 0.071 0.000 2.015 187 A HA -0.018 4.302 4.320 -0.000 0.000 0.219 187 A C 2.046 179.582 177.584 -0.081 0.000 1.163 187 A CA 0.845 52.917 52.037 0.059 0.000 0.646 187 A CB -0.522 18.546 19.000 0.115 0.000 0.806 187 A HN 0.361 nan 8.150 nan 0.000 0.448 188 I N -0.220 120.222 120.570 -0.213 0.000 2.179 188 I HA -0.168 4.002 4.170 -0.000 0.000 0.242 188 I C 2.526 178.679 176.117 0.060 0.000 1.088 188 I CA 1.097 62.222 61.300 -0.292 0.000 1.357 188 I CB -1.413 36.480 38.000 -0.179 0.000 1.051 188 I HN 0.141 nan 8.210 nan 0.000 0.409 189 V N 0.824 120.786 119.914 0.079 0.000 2.223 189 V HA -0.280 3.840 4.120 -0.000 0.000 0.244 189 V C 2.444 178.685 176.094 0.244 0.000 1.045 189 V CA 1.807 64.209 62.300 0.170 0.000 1.000 189 V CB -0.733 31.132 31.823 0.070 0.000 0.635 189 V HN 0.387 nan 8.190 nan 0.000 0.445 190 E N -0.909 119.390 120.200 0.165 0.000 2.253 190 E HA -0.325 4.025 4.350 -0.000 0.000 0.202 190 E C 2.153 178.872 176.600 0.198 0.000 1.014 190 E CA 1.690 58.182 56.400 0.153 0.000 0.823 190 E CB -0.227 29.547 29.700 0.123 0.000 0.736 190 E HN 0.719 nan 8.360 nan 0.000 0.478 191 H N -0.546 118.638 119.070 0.190 0.000 2.343 191 H HA -0.141 4.415 4.556 -0.000 0.000 0.303 191 H C 1.999 177.440 175.328 0.189 0.000 1.068 191 H CA 1.527 57.702 56.048 0.212 0.000 1.359 191 H CB -0.358 29.619 29.762 0.358 0.000 1.402 191 H HN 0.245 nan 8.280 nan 0.000 0.515 192 Y N 1.734 122.182 120.300 0.247 0.000 2.193 192 Y HA -0.212 4.338 4.550 -0.000 0.000 0.285 192 Y C 2.572 178.488 175.900 0.026 0.000 1.166 192 Y CA 1.574 59.763 58.100 0.148 0.000 1.181 192 Y CB -0.658 37.908 38.460 0.177 0.000 0.976 192 Y HN 0.162 nan 8.280 nan 0.000 0.520 193 L N 0.310 121.566 121.223 0.055 0.000 2.191 193 L HA -0.199 4.141 4.340 -0.000 0.000 0.212 193 L C 2.355 179.139 176.870 -0.144 0.000 1.103 193 L CA 1.859 56.659 54.840 -0.066 0.000 0.769 193 L CB -0.424 41.664 42.059 0.049 0.000 0.908 193 L HN 0.230 nan 8.230 nan 0.000 0.438 194 K N -1.230 119.074 120.400 -0.159 0.000 2.353 194 K HA 0.065 4.385 4.320 -0.000 0.000 0.195 194 K C 1.198 177.654 176.600 -0.240 0.000 1.031 194 K CA 0.185 56.367 56.287 -0.174 0.000 1.079 194 K CB 0.819 33.238 32.500 -0.135 0.000 0.857 194 K HN 0.048 nan 8.250 nan 0.000 0.535 195 V N -1.581 118.137 119.914 -0.326 0.000 3.219 195 V HA 0.103 4.223 4.120 -0.000 0.000 0.214 195 V C 1.795 177.744 176.094 -0.241 0.000 1.433 195 V CA 0.696 62.827 62.300 -0.281 0.000 1.301 195 V CB 0.200 31.811 31.823 -0.353 0.000 1.160 195 V HN 0.373 nan 8.190 nan 0.000 0.505 196 G N 2.498 111.142 108.800 -0.260 0.000 2.900 196 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.212 196 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.212 196 G C 1.467 176.129 174.900 -0.396 0.000 1.359 196 G CA 2.018 46.976 45.100 -0.237 0.000 0.800 196 G HN 0.610 nan 8.290 nan 0.000 0.680 197 R N 0.040 120.003 120.500 -0.895 0.000 2.159 197 R HA -0.208 4.132 4.340 -0.000 0.000 0.249 197 R C 1.946 178.108 176.300 -0.230 0.000 1.136 197 R CA 2.025 57.846 56.100 -0.464 0.000 0.951 197 R CB -0.900 29.115 30.300 -0.475 0.000 0.876 197 R HN 0.444 nan 8.270 nan 0.000 0.440 198 Q N 0.882 120.543 119.800 -0.232 0.000 2.336 198 Q HA 0.082 4.422 4.340 -0.000 0.000 0.231 198 Q C -0.537 175.397 176.000 -0.111 0.000 0.900 198 Q CA 0.436 56.154 55.803 -0.143 0.000 0.966 198 Q CB 0.095 28.754 28.738 -0.133 0.000 1.219 198 Q HN 0.444 nan 8.270 nan 0.000 0.412 199 N N -1.353 117.287 118.700 -0.101 0.000 2.278 199 N HA 0.149 4.889 4.740 -0.000 0.000 0.239 199 N C -0.127 175.349 175.510 -0.057 0.000 1.411 199 N CA 0.531 53.538 53.050 -0.072 0.000 0.908 199 N CB 1.085 39.528 38.487 -0.073 0.000 1.307 199 N HN 0.295 nan 8.380 nan 0.000 0.522 200 G N 0.155 108.925 108.800 -0.050 0.000 3.299 200 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.251 200 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.251 200 G C -0.130 174.772 174.900 0.004 0.000 1.741 200 G CA -0.281 44.803 45.100 -0.028 0.000 1.151 200 G HN 0.938 nan 8.290 nan 0.000 0.561 201 V N 3.026 122.950 119.914 0.016 0.000 3.383 201 V HA -0.084 4.036 4.120 -0.000 0.000 0.276 201 V C 1.061 177.274 176.094 0.199 0.000 1.512 201 V CA 1.861 64.212 62.300 0.085 0.000 1.498 201 V CB -0.888 31.005 31.823 0.117 0.000 0.827 201 V HN 0.996 nan 8.190 nan 0.000 0.372 202 L N 5.466 126.759 121.223 0.117 0.000 2.490 202 L HA 0.470 4.810 4.340 -0.000 0.000 0.245 202 L C 1.444 178.329 176.870 0.024 0.000 1.185 202 L CA -0.487 54.415 54.840 0.103 0.000 0.813 202 L CB 0.020 42.092 42.059 0.021 0.000 1.233 202 L HN 0.581 nan 8.230 nan 0.000 0.489 203 E N 0.054 120.190 120.200 -0.107 0.000 2.072 203 E HA -0.117 4.233 4.350 -0.000 0.000 0.190 203 E C 2.106 178.591 176.600 -0.193 0.000 0.982 203 E CA 1.158 57.346 56.400 -0.354 0.000 0.803 203 E CB -0.047 29.316 29.700 -0.561 0.000 0.755 203 E HN 0.627 nan 8.360 nan 0.000 0.453 204 S N 1.667 117.306 115.700 -0.102 0.000 2.413 204 S HA -0.167 4.303 4.470 -0.000 0.000 0.237 204 S C 1.064 175.680 174.600 0.026 0.000 1.044 204 S CA 1.679 59.871 58.200 -0.013 0.000 1.024 204 S CB -0.309 62.888 63.200 -0.006 0.000 0.829 204 S HN 0.424 nan 8.310 nan 0.000 0.475 205 D N 0.127 120.530 120.400 0.005 0.000 3.008 205 D HA 0.202 4.842 4.640 -0.000 0.000 0.312 205 D C -0.381 175.945 176.300 0.043 0.000 1.361 205 D CA -0.284 53.738 54.000 0.036 0.000 0.858 205 D CB -0.603 40.205 40.800 0.013 0.000 1.098 205 D HN 0.266 nan 8.370 nan 0.000 0.482 206 I N 1.066 121.652 120.570 0.027 0.000 2.379 206 I HA 0.277 4.447 4.170 -0.000 0.000 0.290 206 I C 1.095 177.238 176.117 0.043 0.000 1.063 206 I CA -0.450 60.846 61.300 -0.007 0.000 1.351 206 I CB 1.295 39.259 38.000 -0.060 0.000 1.410 206 I HN 0.103 nan 8.210 nan 0.000 0.505 207 G N 4.912 113.746 108.800 0.058 0.000 2.353 207 G HA2 0.484 4.444 3.960 -0.000 0.000 0.284 207 G HA3 0.484 4.444 3.960 -0.000 0.000 0.284 207 G C -0.372 174.503 174.900 -0.042 0.000 1.172 207 G CA -0.259 44.863 45.100 0.036 0.000 0.854 207 G HN 0.523 nan 8.290 nan 0.000 0.485 208 V N 1.200 121.048 119.914 -0.110 0.000 3.284 208 V HA -0.116 4.004 4.120 -0.000 0.000 0.470 208 V C -0.191 175.719 176.094 -0.306 0.000 0.682 208 V CA 0.701 62.869 62.300 -0.219 0.000 2.009 208 V CB -0.944 30.771 31.823 -0.181 0.000 2.467 208 V HN 1.170 nan 8.190 nan 0.000 0.498 209 K N 5.458 125.608 120.400 -0.417 0.000 2.550 209 K HA 0.589 4.909 4.320 -0.000 0.000 0.252 209 K C -1.288 175.079 176.600 -0.388 0.000 0.943 209 K CA -0.749 55.328 56.287 -0.350 0.000 0.806 209 K CB 1.399 33.767 32.500 -0.220 0.000 1.289 209 K HN 0.338 nan 8.250 nan 0.000 0.435 210 F N 2.968 122.882 119.950 -0.060 0.000 2.420 210 F HA 0.293 4.820 4.527 -0.000 0.000 0.352 210 F C 0.980 176.752 175.800 -0.047 0.000 1.108 210 F CA -0.133 57.833 58.000 -0.056 0.000 1.162 210 F CB 0.816 39.756 39.000 -0.099 0.000 1.118 210 F HN 0.461 nan 8.300 nan 0.000 0.510 211 D N 0.489 120.970 120.400 0.134 0.000 2.758 211 D HA 0.411 5.051 4.640 -0.000 0.000 0.262 211 D C -0.136 176.199 176.300 0.059 0.000 1.113 211 D CA -0.277 53.783 54.000 0.101 0.000 1.114 211 D CB 2.319 43.237 40.800 0.197 0.000 1.363 211 D HN 0.524 nan 8.370 nan 0.000 0.617 212 T N -2.029 112.522 114.554 -0.004 0.000 3.855 212 T HA 0.278 4.628 4.350 -0.000 0.000 0.313 212 T C -0.010 174.608 174.700 -0.136 0.000 0.938 212 T CA -0.624 61.438 62.100 -0.063 0.000 1.011 212 T CB -0.024 68.799 68.868 -0.075 0.000 1.188 212 T HN 0.544 nan 8.240 nan 0.000 0.477 213 R N 0.114 120.463 120.500 -0.250 0.000 2.888 213 R HA 0.541 4.881 4.340 -0.000 0.000 0.264 213 R C -0.927 175.043 176.300 -0.551 0.000 1.045 213 R CA -1.016 54.812 56.100 -0.454 0.000 0.962 213 R CB 0.905 30.858 30.300 -0.578 0.000 1.210 213 R HN 0.128 nan 8.270 nan 0.000 0.479 214 N N 1.124 119.447 118.700 -0.628 0.000 3.034 214 N HA 0.140 4.880 4.740 -0.000 0.000 0.265 214 N C -1.017 174.303 175.510 -0.317 0.000 1.166 214 N CA -0.529 52.301 53.050 -0.366 0.000 1.081 214 N CB 0.124 38.363 38.487 -0.413 0.000 1.378 214 N HN 0.343 nan 8.380 nan 0.000 0.520 215 F N 2.277 122.105 119.950 -0.204 0.000 2.616 215 F HA 0.036 4.563 4.527 -0.000 0.000 0.331 215 F C 1.550 177.241 175.800 -0.182 0.000 1.309 215 F CA 0.108 57.952 58.000 -0.260 0.000 1.068 215 F CB 0.016 38.713 39.000 -0.505 0.000 1.464 215 F HN 0.569 nan 8.300 nan 0.000 0.667 216 R N 0.717 121.225 120.500 0.013 0.000 2.475 216 R HA 0.056 4.396 4.340 -0.000 0.000 0.050 216 R C 0.558 176.852 176.300 -0.010 0.000 0.505 216 R CA 0.085 56.139 56.100 -0.077 0.000 0.784 216 R CB -0.792 29.217 30.300 -0.486 0.000 0.896 216 R HN 0.555 nan 8.270 nan 0.000 0.567 217 L N -0.772 120.455 121.223 0.007 0.000 2.044 217 L HA 0.140 4.480 4.340 -0.000 0.000 0.205 217 L C 2.258 179.188 176.870 0.100 0.000 1.075 217 L CA 1.837 56.693 54.840 0.027 0.000 0.747 217 L CB -0.363 41.663 42.059 -0.054 0.000 0.903 217 L HN 0.430 nan 8.230 nan 0.000 0.435 218 G N -0.131 108.738 108.800 0.115 0.000 2.418 218 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.217 218 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.217 218 G C 0.639 175.623 174.900 0.141 0.000 1.158 218 G CA -0.219 44.942 45.100 0.102 0.000 0.771 218 G HN 0.182 nan 8.290 nan 0.000 0.545 219 F N 1.799 121.774 119.950 0.041 0.000 2.295 219 F HA -0.107 4.420 4.527 -0.000 0.000 0.410 219 F C 0.260 176.083 175.800 0.038 0.000 0.891 219 F CA 0.411 58.440 58.000 0.048 0.000 1.125 219 F CB 0.434 39.458 39.000 0.040 0.000 0.860 219 F HN 0.087 nan 8.300 nan 0.000 0.551 220 D N 8.740 128.770 120.400 -0.617 0.000 2.425 220 D HA 0.224 4.864 4.640 -0.000 0.000 0.240 220 D C -1.679 174.249 176.300 -0.619 0.000 1.080 220 D CA -1.770 51.985 54.000 -0.408 0.000 0.836 220 D CB 1.954 42.582 40.800 -0.286 0.000 1.125 220 D HN 0.240 nan 8.370 nan 0.000 0.525 221 P HA -0.139 nan 4.420 nan 0.000 0.222 221 P C 1.169 178.431 177.300 -0.062 0.000 1.142 221 P CA 0.680 63.787 63.100 0.011 0.000 0.788 221 P CB 0.715 32.494 31.700 0.132 0.000 0.767 222 V N -0.501 119.335 119.914 -0.131 0.000 2.599 222 V HA -0.068 4.052 4.120 -0.000 0.000 0.237 222 V C 2.617 178.628 176.094 -0.139 0.000 1.081 222 V CA 1.904 64.147 62.300 -0.095 0.000 1.107 222 V CB -1.713 30.071 31.823 -0.066 0.000 0.808 222 V HN 0.041 nan 8.190 nan 0.000 0.486 223 T N 0.547 114.988 114.554 -0.188 0.000 2.699 223 T HA -0.083 4.266 4.350 -0.000 0.000 0.268 223 T C 1.543 176.115 174.700 -0.215 0.000 1.036 223 T CA 2.035 64.022 62.100 -0.189 0.000 1.147 223 T CB -0.671 68.066 68.868 -0.219 0.000 0.862 223 T HN 0.980 nan 8.240 nan 0.000 0.446 224 G N 0.569 109.147 108.800 -0.370 0.000 2.136 224 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.242 224 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.242 224 G C -0.070 174.720 174.900 -0.183 0.000 0.989 224 G CA 0.051 44.980 45.100 -0.285 0.000 0.682 224 G HN 0.525 nan 8.290 nan 0.000 0.522 225 L N -0.736 120.302 121.223 -0.308 0.000 2.359 225 L HA 0.572 4.912 4.340 -0.000 0.000 0.256 225 L C 0.524 177.336 176.870 -0.097 0.000 1.026 225 L CA -1.433 53.353 54.840 -0.090 0.000 0.828 225 L CB 2.251 44.270 42.059 -0.066 0.000 1.406 225 L HN -0.148 nan 8.230 nan 0.000 0.413 226 V N 2.777 122.721 119.914 0.051 0.000 2.149 226 V HA -0.012 4.108 4.120 -0.000 0.000 0.245 226 V C 1.473 177.537 176.094 -0.050 0.000 1.349 226 V CA -0.253 62.080 62.300 0.054 0.000 1.289 226 V CB 0.084 31.962 31.823 0.091 0.000 1.401 226 V HN 0.717 nan 8.190 nan 0.000 0.501 227 M N 3.571 123.116 119.600 -0.092 0.000 2.186 227 M HA -0.209 4.271 4.480 -0.000 0.000 0.249 227 M C 0.013 176.244 176.300 -0.115 0.000 1.081 227 M CA 2.277 57.495 55.300 -0.138 0.000 1.072 227 M CB -2.437 30.073 32.600 -0.150 0.000 1.318 227 M HN 0.367 nan 8.290 nan 0.000 0.405 228 P HA -0.034 nan 4.420 nan 0.000 0.222 228 P C 0.913 178.179 177.300 -0.056 0.000 1.142 228 P CA 2.126 65.197 63.100 -0.050 0.000 0.788 228 P CB -0.156 31.529 31.700 -0.024 0.000 0.767 229 G N -2.458 106.292 108.800 -0.085 0.000 2.162 229 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.260 229 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.260 229 G C 0.075 174.912 174.900 -0.105 0.000 0.976 229 G CA 0.046 45.095 45.100 -0.084 0.000 0.655 229 G HN 0.386 nan 8.290 nan 0.000 0.533 230 V N -0.299 119.536 119.914 -0.132 0.000 2.851 230 V HA 0.438 4.558 4.120 -0.000 0.000 0.307 230 V C -0.445 175.568 176.094 -0.135 0.000 1.129 230 V CA -1.381 60.845 62.300 -0.123 0.000 0.932 230 V CB 1.816 33.628 31.823 -0.018 0.000 1.024 230 V HN 0.248 nan 8.190 nan 0.000 0.426 231 Y N 1.967 122.311 120.300 0.075 0.000 2.637 231 Y HA 0.137 4.687 4.550 -0.000 0.000 0.350 231 Y C 1.451 177.303 175.900 -0.079 0.000 1.069 231 Y CA 0.256 58.363 58.100 0.012 0.000 1.397 231 Y CB 0.924 39.412 38.460 0.046 0.000 1.163 231 Y HN 0.698 nan 8.280 nan 0.000 0.527 232 T N 3.686 118.270 114.554 0.051 0.000 2.609 232 T HA -0.197 4.153 4.350 -0.000 0.000 0.257 232 T C 0.879 175.541 174.700 -0.064 0.000 1.032 232 T CA -0.059 62.034 62.100 -0.011 0.000 1.244 232 T CB -0.445 68.408 68.868 -0.025 0.000 1.003 232 T HN 0.604 nan 8.240 nan 0.000 0.507 233 N N 4.965 123.654 118.700 -0.019 0.000 2.938 233 N HA 0.036 4.776 4.740 -0.000 0.000 0.286 233 N C -0.073 175.433 175.510 -0.007 0.000 1.316 233 N CA 0.247 53.283 53.050 -0.024 0.000 1.063 233 N CB -0.151 38.347 38.487 0.017 0.000 1.388 233 N HN 0.737 nan 8.380 nan 0.000 0.545 234 E N -0.738 119.452 120.200 -0.017 0.000 2.212 234 E HA 0.594 4.944 4.350 -0.000 0.000 0.268 234 E C -1.076 175.614 176.600 0.151 0.000 0.902 234 E CA -1.030 55.436 56.400 0.110 0.000 0.779 234 E CB 1.470 31.333 29.700 0.272 0.000 1.172 234 E HN 0.293 nan 8.360 nan 0.000 0.409 235 A N 3.174 126.111 122.820 0.195 0.000 2.320 235 A HA 0.366 4.686 4.320 -0.000 0.000 0.287 235 A C -0.632 177.183 177.584 0.385 0.000 1.181 235 A CA -0.073 52.072 52.037 0.180 0.000 0.831 235 A CB -0.001 19.018 19.000 0.031 0.000 1.102 235 A HN 0.618 nan 8.150 nan 0.000 0.513 236 F N 0.004 119.861 119.950 -0.156 0.000 2.577 236 F HA 0.277 4.804 4.527 -0.000 0.000 0.276 236 F C 0.770 176.524 175.800 -0.076 0.000 1.032 236 F CA 0.970 58.890 58.000 -0.133 0.000 1.297 236 F CB -0.111 38.763 39.000 -0.210 0.000 1.061 236 F HN 0.763 nan 8.300 nan 0.000 0.680 237 H N -1.677 117.336 119.070 -0.095 0.000 3.081 237 H HA 0.360 4.916 4.556 -0.000 0.000 0.322 237 H C -3.062 172.225 175.328 -0.067 0.000 1.266 237 H CA -1.629 54.370 56.048 -0.081 0.000 1.279 237 H CB 1.923 31.666 29.762 -0.031 0.000 1.954 237 H HN -0.291 nan 8.280 nan 0.000 0.530 238 P HA 0.201 nan 4.420 nan 0.000 0.271 238 P C -1.111 176.214 177.300 0.041 0.000 1.218 238 P CA 0.145 63.087 63.100 -0.263 0.000 0.780 238 P CB 0.677 32.157 31.700 -0.367 0.000 0.901 239 D N 1.392 121.889 120.400 0.162 0.000 2.615 239 D HA 0.350 4.990 4.640 -0.000 0.000 0.267 239 D C -1.172 175.265 176.300 0.227 0.000 1.236 239 D CA -0.642 53.568 54.000 0.350 0.000 0.839 239 D CB 1.254 42.409 40.800 0.592 0.000 1.380 239 D HN 0.278 nan 8.370 nan 0.000 0.433 240 I N -1.788 118.908 120.570 0.211 0.000 2.465 240 I HA 0.599 4.769 4.170 -0.000 0.000 0.291 240 I C -0.857 175.269 176.117 0.015 0.000 1.014 240 I CA -1.140 60.176 61.300 0.025 0.000 1.093 240 I CB 1.695 39.673 38.000 -0.037 0.000 1.267 240 I HN 0.271 nan 8.210 nan 0.000 0.431 241 I N 6.376 126.870 120.570 -0.128 0.000 2.437 241 I HA 0.512 4.682 4.170 -0.000 0.000 0.298 241 I C -0.397 175.632 176.117 -0.146 0.000 0.984 241 I CA -0.682 60.526 61.300 -0.154 0.000 1.214 241 I CB 1.836 39.639 38.000 -0.329 0.000 1.365 241 I HN 0.478 nan 8.210 nan 0.000 0.469 242 L N 5.891 127.110 121.223 -0.006 0.000 2.371 242 L HA 0.587 4.927 4.340 -0.000 0.000 0.262 242 L C -0.667 176.339 176.870 0.227 0.000 1.006 242 L CA -0.741 54.155 54.840 0.093 0.000 0.818 242 L CB 2.411 44.599 42.059 0.216 0.000 1.354 242 L HN 0.440 nan 8.230 nan 0.000 0.415 243 L N 1.520 122.778 121.223 0.059 0.000 2.358 243 L HA 0.536 4.876 4.340 -0.000 0.000 0.268 243 L C -2.167 174.225 176.870 -0.796 0.000 1.032 243 L CA -1.822 52.969 54.840 -0.083 0.000 0.805 243 L CB 2.142 44.230 42.059 0.048 0.000 1.253 243 L HN 0.267 nan 8.230 nan 0.000 0.452 244 P HA -0.007 nan 4.420 nan 0.000 0.267 244 P C 0.559 177.338 177.300 -0.868 0.000 1.201 244 P CA 0.896 63.117 63.100 -1.465 0.000 0.775 244 P CB 0.445 31.790 31.700 -0.592 0.000 0.854 245 G N -0.057 108.307 108.800 -0.727 0.000 2.322 245 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.264 245 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.264 245 G C 0.531 174.889 174.900 -0.903 0.000 0.992 245 G CA 0.661 45.248 45.100 -0.854 0.000 0.624 245 G HN 0.849 nan 8.290 nan 0.000 0.543 246 C N -1.618 117.304 119.300 -0.630 0.000 2.651 246 C HA 1.109 5.569 4.460 -0.000 0.000 0.416 246 C C 1.072 175.934 174.990 -0.213 0.000 1.818 246 C CA 0.011 58.775 59.018 -0.424 0.000 1.790 246 C CB 1.256 28.857 27.740 -0.231 0.000 2.048 246 C HN 2.246 nan 8.230 nan 0.000 0.470 247 G N -1.370 107.319 108.800 -0.184 0.000 2.324 247 G HA2 0.580 4.540 3.960 -0.000 0.000 0.293 247 G HA3 0.580 4.540 3.960 -0.000 0.000 0.293 247 G C -1.262 173.680 174.900 0.070 0.000 1.297 247 G CA 0.191 45.284 45.100 -0.011 0.000 0.853 247 G HN 2.187 nan 8.290 nan 0.000 0.535 248 V N -2.285 117.765 119.914 0.228 0.000 3.001 248 V HA 0.929 5.049 4.120 -0.000 0.000 0.314 248 V C -1.302 174.973 176.094 0.300 0.000 1.099 248 V CA -0.683 61.786 62.300 0.282 0.000 0.989 248 V CB 2.197 34.110 31.823 0.150 0.000 1.040 248 V HN 1.053 nan 8.190 nan 0.000 0.434 249 D N 1.139 121.590 120.400 0.086 0.000 2.863 249 D HA 0.448 5.088 4.640 -0.000 0.000 0.245 249 D C -0.931 175.188 176.300 -0.302 0.000 1.211 249 D CA -0.408 53.571 54.000 -0.036 0.000 0.888 249 D CB 2.053 42.730 40.800 -0.205 0.000 1.483 249 D HN 0.481 nan 8.370 nan 0.000 0.533 250 F N 1.427 121.375 119.950 -0.003 0.000 2.682 250 F HA 0.099 4.626 4.527 -0.000 0.000 0.308 250 F C 2.324 178.093 175.800 -0.051 0.000 1.093 250 F CA -0.229 57.731 58.000 -0.067 0.000 1.244 250 F CB 0.535 39.349 39.000 -0.311 0.000 1.052 250 F HN 0.323 nan 8.300 nan 0.000 0.573 251 T N -0.847 113.743 114.554 0.061 0.000 2.771 251 T HA -0.282 4.068 4.350 -0.000 0.000 0.262 251 T C 0.732 175.292 174.700 -0.234 0.000 1.027 251 T CA 1.847 63.873 62.100 -0.123 0.000 1.159 251 T CB -0.438 68.210 68.868 -0.368 0.000 0.844 251 T HN 0.284 nan 8.240 nan 0.000 0.478 252 H N 0.027 119.087 119.070 -0.017 0.000 2.429 252 H HA 0.660 5.216 4.556 -0.000 0.000 0.237 252 H C -0.330 174.937 175.328 -0.102 0.000 1.378 252 H CA -0.286 55.685 56.048 -0.128 0.000 1.170 252 H CB 0.341 29.953 29.762 -0.249 0.000 1.671 252 H HN 0.194 nan 8.280 nan 0.000 0.541 253 S N 0.280 116.065 115.700 0.141 0.000 2.556 253 S HA 0.283 4.753 4.470 -0.000 0.000 0.280 253 S C 0.351 175.040 174.600 0.149 0.000 1.141 253 S CA -0.729 57.578 58.200 0.179 0.000 0.883 253 S CB 1.265 64.626 63.200 0.269 0.000 1.103 253 S HN 0.465 nan 8.310 nan 0.000 0.453 254 R N 2.676 123.243 120.500 0.110 0.000 2.297 254 R HA 0.284 4.624 4.340 -0.000 0.000 0.197 254 R C 1.550 177.794 176.300 -0.093 0.000 0.943 254 R CA 0.286 56.392 56.100 0.011 0.000 1.038 254 R CB -0.225 30.084 30.300 0.016 0.000 0.957 254 R HN 0.624 nan 8.270 nan 0.000 0.484 255 L N 0.495 121.678 121.223 -0.066 0.000 2.189 255 L HA -0.264 4.076 4.340 -0.000 0.000 0.214 255 L C 2.583 179.182 176.870 -0.452 0.000 1.097 255 L CA 1.382 56.108 54.840 -0.191 0.000 0.764 255 L CB -0.578 41.419 42.059 -0.103 0.000 0.900 255 L HN 0.259 nan 8.230 nan 0.000 0.436 256 S N 0.655 115.945 115.700 -0.683 0.000 2.368 256 S HA -0.290 4.180 4.470 -0.000 0.000 0.226 256 S C 1.888 176.121 174.600 -0.611 0.000 1.044 256 S CA 2.017 59.537 58.200 -1.133 0.000 1.062 256 S CB -0.375 62.197 63.200 -1.047 0.000 0.931 256 S HN 0.491 nan 8.310 nan 0.000 0.440 257 N N 1.089 119.574 118.700 -0.358 0.000 2.348 257 N HA -0.088 4.652 4.740 -0.000 0.000 0.185 257 N C 1.596 176.971 175.510 -0.225 0.000 1.019 257 N CA 1.218 54.132 53.050 -0.226 0.000 0.880 257 N CB -0.524 37.881 38.487 -0.137 0.000 0.965 257 N HN 0.466 nan 8.380 nan 0.000 0.437 258 L N 0.843 121.902 121.223 -0.273 0.000 2.131 258 L HA 0.053 4.393 4.340 -0.000 0.000 0.206 258 L C 1.957 178.654 176.870 -0.288 0.000 1.087 258 L CA 1.071 55.762 54.840 -0.248 0.000 0.767 258 L CB -0.281 41.624 42.059 -0.256 0.000 0.917 258 L HN 0.055 nan 8.230 nan 0.000 0.441 259 L N -0.194 120.803 121.223 -0.377 0.000 2.291 259 L HA 0.124 4.464 4.340 -0.000 0.000 0.214 259 L C 1.362 178.032 176.870 -0.333 0.000 1.120 259 L CA 0.688 55.297 54.840 -0.386 0.000 0.799 259 L CB -0.854 40.937 42.059 -0.447 0.000 0.925 259 L HN 0.551 nan 8.230 nan 0.000 0.446 260 G N 1.230 109.879 108.800 -0.252 0.000 2.248 260 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.252 260 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.252 260 G C -0.146 174.716 174.900 -0.063 0.000 1.085 260 G CA -0.303 44.749 45.100 -0.079 0.000 0.845 260 G HN 0.279 nan 8.290 nan 0.000 0.494 261 I N 0.228 120.641 120.570 -0.262 0.000 2.468 261 I HA 0.485 4.655 4.170 -0.000 0.000 0.284 261 I C 0.351 176.405 176.117 -0.105 0.000 1.038 261 I CA -0.784 60.308 61.300 -0.347 0.000 1.083 261 I CB 1.481 39.023 38.000 -0.765 0.000 1.223 261 I HN 0.110 nan 8.210 nan 0.000 0.443 262 R N 4.486 124.993 120.500 0.012 0.000 2.888 262 R HA 0.589 4.929 4.340 -0.000 0.000 0.266 262 R C -0.819 175.457 176.300 -0.040 0.000 1.020 262 R CA -1.194 54.969 56.100 0.105 0.000 0.963 262 R CB 2.405 32.717 30.300 0.020 0.000 1.197 262 R HN 0.398 nan 8.270 nan 0.000 0.481 263 K N 1.258 121.549 120.400 -0.181 0.000 2.270 263 K HA 0.167 4.487 4.320 -0.000 0.000 0.276 263 K C 0.761 177.309 176.600 -0.086 0.000 1.023 263 K CA -0.127 56.006 56.287 -0.258 0.000 0.955 263 K CB 1.013 33.330 32.500 -0.305 0.000 0.975 263 K HN 0.360 nan 8.250 nan 0.000 0.471 264 R N 1.311 121.804 120.500 -0.012 0.000 2.323 264 R HA -0.062 4.278 4.340 -0.000 0.000 0.198 264 R C 0.155 176.471 176.300 0.027 0.000 0.988 264 R CA 0.904 57.020 56.100 0.026 0.000 1.041 264 R CB 0.208 30.549 30.300 0.068 0.000 0.926 264 R HN 0.508 nan 8.270 nan 0.000 0.476 265 Q N -0.991 118.817 119.800 0.013 0.000 3.394 265 Q HA 0.156 4.496 4.340 -0.000 0.000 0.285 265 Q C -2.280 173.691 176.000 -0.048 0.000 0.866 265 Q CA -1.508 54.309 55.803 0.023 0.000 0.844 265 Q CB 1.689 30.471 28.738 0.073 0.000 1.472 265 Q HN -0.029 nan 8.270 nan 0.000 0.401 266 P HA -0.245 nan 4.420 nan 0.000 0.221 266 P C 0.581 177.687 177.300 -0.324 0.000 1.160 266 P CA 1.727 64.612 63.100 -0.358 0.000 0.933 266 P CB 0.052 31.354 31.700 -0.662 0.000 0.793 267 F N -1.070 118.901 119.950 0.034 0.000 2.494 267 F HA -0.110 4.417 4.527 -0.000 0.000 0.298 267 F C 1.309 177.125 175.800 0.028 0.000 1.106 267 F CA 0.651 58.672 58.000 0.035 0.000 1.452 267 F CB -1.223 37.796 39.000 0.031 0.000 1.085 267 F HN -0.014 nan 8.300 nan 0.000 0.569 268 Q N 2.417 122.295 119.800 0.130 0.000 2.837 268 Q HA 0.041 4.381 4.340 -0.000 0.000 0.235 268 Q C 0.006 176.036 176.000 0.050 0.000 1.348 268 Q CA -0.267 55.585 55.803 0.081 0.000 0.990 268 Q CB -0.521 28.245 28.738 0.047 0.000 1.570 268 Q HN 0.482 nan 8.270 nan 0.000 0.575 269 E N 0.585 120.826 120.200 0.067 0.000 3.025 269 E HA -0.003 4.347 4.350 -0.000 0.000 0.248 269 E C 0.185 176.799 176.600 0.023 0.000 0.938 269 E CA 0.491 56.921 56.400 0.050 0.000 0.958 269 E CB -0.083 29.649 29.700 0.054 0.000 0.898 269 E HN 0.612 nan 8.360 nan 0.000 0.537 270 G N 4.063 112.885 108.800 0.038 0.000 2.823 270 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.235 270 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.235 270 G C -0.980 174.003 174.900 0.138 0.000 3.696 270 G CA -0.927 44.196 45.100 0.038 0.000 0.652 270 G HN 0.539 nan 8.290 nan 0.000 0.431 271 F N 2.668 122.661 119.950 0.072 0.000 2.377 271 F HA 0.578 5.105 4.527 -0.000 0.000 0.360 271 F C 0.810 176.731 175.800 0.202 0.000 1.147 271 F CA -0.668 57.440 58.000 0.180 0.000 1.170 271 F CB 0.394 39.499 39.000 0.176 0.000 1.339 271 F HN 0.083 nan 8.300 nan 0.000 0.552 272 R N 6.203 127.041 120.500 0.563 0.000 2.451 272 R HA 0.445 4.785 4.340 -0.000 0.000 0.307 272 R C -1.186 175.455 176.300 0.569 0.000 0.965 272 R CA -0.804 55.560 56.100 0.440 0.000 0.865 272 R CB 2.321 32.766 30.300 0.240 0.000 1.174 272 R HN 0.636 nan 8.270 nan 0.000 0.455 273 I N 3.173 124.068 120.570 0.543 0.000 2.428 273 I HA 0.209 4.379 4.170 -0.000 0.000 0.279 273 I C -0.408 175.938 176.117 0.381 0.000 1.040 273 I CA -0.107 61.503 61.300 0.516 0.000 1.171 273 I CB 1.402 39.686 38.000 0.474 0.000 1.312 273 I HN 0.520 nan 8.210 nan 0.000 0.470 274 T N 5.470 120.230 114.554 0.344 0.000 2.828 274 T HA 0.011 4.361 4.350 -0.000 0.000 0.290 274 T C 0.686 175.522 174.700 0.227 0.000 1.019 274 T CA 0.057 62.309 62.100 0.253 0.000 1.031 274 T CB 0.976 69.970 68.868 0.210 0.000 1.001 274 T HN 0.551 nan 8.240 nan 0.000 0.531 275 Y N 1.298 121.628 120.300 0.048 0.000 2.145 275 Y HA -0.197 4.353 4.550 -0.000 0.000 0.286 275 Y C 2.296 178.230 175.900 0.056 0.000 1.145 275 Y CA 1.824 59.941 58.100 0.029 0.000 1.148 275 Y CB -0.295 38.140 38.460 -0.042 0.000 0.981 275 Y HN 0.732 nan 8.280 nan 0.000 0.507 276 D N 0.119 120.588 120.400 0.116 0.000 2.203 276 D HA -0.214 4.426 4.640 -0.000 0.000 0.199 276 D C 1.449 177.752 176.300 0.004 0.000 0.997 276 D CA 1.744 55.760 54.000 0.026 0.000 0.863 276 D CB -0.106 40.748 40.800 0.090 0.000 0.928 276 D HN 0.551 nan 8.370 nan 0.000 0.458 277 D N 0.216 120.672 120.400 0.094 0.000 2.117 277 D HA -0.070 4.570 4.640 -0.000 0.000 0.198 277 D C 1.258 177.635 176.300 0.129 0.000 0.982 277 D CA 0.231 54.339 54.000 0.180 0.000 0.828 277 D CB -0.045 40.977 40.800 0.369 0.000 0.967 277 D HN 0.295 nan 8.370 nan 0.000 0.464 278 L N 2.235 123.490 121.223 0.053 0.000 2.869 278 L HA 0.033 4.373 4.340 -0.000 0.000 0.240 278 L C 0.971 177.767 176.870 -0.125 0.000 1.448 278 L CA -0.241 54.593 54.840 -0.010 0.000 1.158 278 L CB -0.826 41.213 42.059 -0.033 0.000 1.497 278 L HN -0.048 nan 8.230 nan 0.000 0.447 279 E N 1.000 121.157 120.200 -0.072 0.000 2.683 279 E HA 0.136 4.486 4.350 -0.000 0.000 0.266 279 E C 0.895 177.429 176.600 -0.111 0.000 1.434 279 E CA 0.527 56.871 56.400 -0.093 0.000 1.137 279 E CB 0.332 30.010 29.700 -0.036 0.000 0.992 279 E HN 0.416 nan 8.360 nan 0.000 0.607 280 G N -0.570 108.174 108.800 -0.094 0.000 2.903 280 G HA2 0.102 4.062 3.960 -0.000 0.000 0.332 280 G HA3 0.102 4.062 3.960 -0.000 0.000 0.332 280 G C 0.512 175.311 174.900 -0.168 0.000 0.190 280 G CA 0.699 45.732 45.100 -0.112 0.000 1.231 280 G HN 1.085 nan 8.290 nan 0.000 0.363 281 G N 2.108 110.752 108.800 -0.261 0.000 2.678 281 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.175 281 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.175 281 G C -0.315 174.407 174.900 -0.297 0.000 1.078 281 G CA -0.203 44.724 45.100 -0.290 0.000 0.864 281 G HN 0.970 nan 8.290 nan 0.000 0.521 282 N N 0.888 119.343 118.700 -0.407 0.000 2.430 282 N HA 0.419 5.159 4.740 -0.000 0.000 0.292 282 N C 0.835 176.146 175.510 -0.332 0.000 1.051 282 N CA -0.584 52.294 53.050 -0.287 0.000 0.917 282 N CB 1.728 40.083 38.487 -0.219 0.000 1.164 282 N HN 0.316 nan 8.380 nan 0.000 0.484 283 I N 2.572 123.008 120.570 -0.223 0.000 2.828 283 I HA -0.076 4.094 4.170 -0.000 0.000 0.292 283 I C -1.806 174.299 176.117 -0.020 0.000 1.206 283 I CA -0.699 60.474 61.300 -0.212 0.000 1.420 283 I CB -0.258 37.494 38.000 -0.413 0.000 1.368 283 I HN 0.186 nan 8.210 nan 0.000 0.556 284 P HA 0.093 nan 4.420 nan 0.000 0.272 284 P C -0.553 177.032 177.300 0.475 0.000 1.254 284 P CA -0.220 63.119 63.100 0.399 0.000 0.795 284 P CB 0.601 32.631 31.700 0.550 0.000 1.022 285 A N 0.440 123.525 122.820 0.441 0.000 2.269 285 A HA 0.617 4.937 4.320 -0.000 0.000 0.327 285 A C -0.530 177.190 177.584 0.226 0.000 1.112 285 A CA -0.724 51.531 52.037 0.363 0.000 0.865 285 A CB 0.094 19.256 19.000 0.270 0.000 1.227 285 A HN 0.435 nan 8.150 nan 0.000 0.498 286 L N 0.770 122.071 121.223 0.131 0.000 2.334 286 L HA 0.349 4.689 4.340 -0.000 0.000 0.277 286 L C -0.008 176.854 176.870 -0.013 0.000 1.075 286 L CA -0.688 54.139 54.840 -0.023 0.000 0.804 286 L CB 0.996 43.010 42.059 -0.075 0.000 1.174 286 L HN 0.696 nan 8.230 nan 0.000 0.438 287 L N 2.178 123.369 121.223 -0.054 0.000 2.461 287 L HA 0.070 4.410 4.340 -0.000 0.000 0.272 287 L C 0.512 177.356 176.870 -0.043 0.000 1.197 287 L CA 0.391 55.192 54.840 -0.066 0.000 0.836 287 L CB 0.358 42.340 42.059 -0.128 0.000 1.105 287 L HN 0.507 nan 8.230 nan 0.000 0.477 288 D N 3.802 124.190 120.400 -0.020 0.000 2.608 288 D HA -0.039 4.601 4.640 -0.000 0.000 0.224 288 D C 1.388 177.707 176.300 0.033 0.000 1.123 288 D CA 0.177 54.176 54.000 -0.001 0.000 1.030 288 D CB 0.399 41.203 40.800 0.007 0.000 1.093 288 D HN 0.568 nan 8.370 nan 0.000 0.497 289 V N 3.457 123.379 119.914 0.014 0.000 2.277 289 V HA -0.317 3.803 4.120 -0.000 0.000 0.255 289 V C 1.606 177.760 176.094 0.099 0.000 1.074 289 V CA 2.194 64.523 62.300 0.049 0.000 1.058 289 V CB -0.010 31.825 31.823 0.020 0.000 0.656 289 V HN 0.434 nan 8.190 nan 0.000 0.449 290 D N -0.153 120.281 120.400 0.056 0.000 2.078 290 D HA -0.132 4.508 4.640 -0.000 0.000 0.193 290 D C 2.229 178.561 176.300 0.053 0.000 0.990 290 D CA 1.925 55.953 54.000 0.046 0.000 0.827 290 D CB -0.573 40.239 40.800 0.020 0.000 0.975 290 D HN 0.578 nan 8.370 nan 0.000 0.451 291 A N 0.645 123.495 122.820 0.050 0.000 1.859 291 A HA -0.279 4.041 4.320 -0.000 0.000 0.218 291 A C 2.241 179.865 177.584 0.066 0.000 1.209 291 A CA 2.095 54.158 52.037 0.044 0.000 0.639 291 A CB -1.544 17.480 19.000 0.040 0.000 0.835 291 A HN 0.394 nan 8.150 nan 0.000 0.450 292 Y N 0.343 120.632 120.300 -0.018 0.000 1.997 292 Y HA -0.379 4.171 4.550 -0.000 0.000 0.265 292 Y C 2.611 178.503 175.900 -0.013 0.000 1.193 292 Y CA 2.770 60.860 58.100 -0.017 0.000 1.106 292 Y CB -0.729 37.720 38.460 -0.018 0.000 0.940 292 Y HN 0.488 nan 8.280 nan 0.000 0.494 293 Q N -0.326 119.481 119.800 0.011 0.000 1.975 293 Q HA -0.250 4.090 4.340 -0.000 0.000 0.205 293 Q C 2.548 178.475 176.000 -0.122 0.000 0.990 293 Q CA 1.697 57.439 55.803 -0.100 0.000 0.845 293 Q CB -0.610 28.164 28.738 0.059 0.000 0.913 293 Q HN 0.670 nan 8.270 nan 0.000 0.420 294 A N 0.430 123.218 122.820 -0.052 0.000 1.927 294 A HA -0.242 4.078 4.320 -0.000 0.000 0.220 294 A C 2.105 179.644 177.584 -0.076 0.000 1.185 294 A CA 1.991 53.999 52.037 -0.049 0.000 0.639 294 A CB -0.889 18.097 19.000 -0.023 0.000 0.820 294 A HN 0.413 nan 8.150 nan 0.000 0.451 295 S N -1.636 114.006 115.700 -0.097 0.000 2.537 295 S HA 0.035 4.505 4.470 -0.000 0.000 0.240 295 S C 0.725 175.238 174.600 -0.145 0.000 0.981 295 S CA 0.570 58.706 58.200 -0.106 0.000 0.948 295 S CB -0.726 62.418 63.200 -0.093 0.000 0.759 295 S HN 0.385 nan 8.310 nan 0.000 0.531 376 K N 0.442 120.846 120.400 0.007 0.000 2.580 376 K HA 0.180 4.500 4.320 -0.000 0.000 0.258 376 K C -2.499 174.134 176.600 0.055 0.000 0.936 376 K CA -1.400 54.896 56.287 0.014 0.000 0.852 376 K CB 2.036 34.575 32.500 0.065 0.000 1.329 376 K HN 0.206 nan 8.250 nan 0.000 0.430 377 P HA -0.259 nan 4.420 nan 0.000 0.213 377 P C 1.337 178.691 177.300 0.089 0.000 1.170 377 P CA 1.729 64.868 63.100 0.066 0.000 0.902 377 P CB -0.008 31.731 31.700 0.065 0.000 0.789 378 V N -1.495 118.523 119.914 0.174 0.000 0.811 378 V HA -0.451 3.669 4.120 -0.000 0.000 0.097 378 V C 1.845 177.949 176.094 0.016 0.000 1.319 378 V CA 2.818 65.174 62.300 0.093 0.000 3.129 378 V CB -2.172 29.694 31.823 0.072 0.000 0.563 378 V HN 0.137 nan 8.190 nan 0.000 0.469 379 I N 0.367 120.942 120.570 0.008 0.000 2.442 379 I HA -0.260 3.910 4.170 -0.000 0.000 0.261 379 I C 1.721 177.833 176.117 -0.008 0.000 1.132 379 I CA 1.962 63.255 61.300 -0.012 0.000 1.412 379 I CB -0.773 37.221 38.000 -0.010 0.000 1.091 379 I HN 0.534 nan 8.210 nan 0.000 0.448 380 K N 3.484 123.887 120.400 0.005 0.000 2.361 380 K HA 0.066 4.386 4.320 -0.000 0.000 0.283 380 K C -2.144 174.453 176.600 -0.005 0.000 1.078 380 K CA -1.095 55.193 56.287 0.002 0.000 1.041 380 K CB 0.189 32.696 32.500 0.012 0.000 0.932 380 K HN 0.065 nan 8.250 nan 0.000 0.462 381 P HA 0.047 nan 4.420 nan 0.000 0.285 381 P C -0.500 176.795 177.300 -0.008 0.000 1.448 381 P CA -0.804 62.301 63.100 0.009 0.000 0.953 381 P CB 0.648 32.367 31.700 0.032 0.000 1.175 382 L N 4.043 125.247 121.223 -0.032 0.000 2.927 382 L HA -0.117 4.223 4.340 -0.000 0.000 0.292 382 L C 1.144 177.908 176.870 -0.178 0.000 1.088 382 L CA 1.498 56.279 54.840 -0.099 0.000 0.969 382 L CB -1.015 40.982 42.059 -0.104 0.000 1.399 382 L HN 0.335 nan 8.230 nan 0.000 0.458 383 T N 3.699 118.148 114.554 -0.175 0.000 3.043 383 T HA 0.057 4.407 4.350 -0.000 0.000 0.263 383 T C 0.731 175.234 174.700 -0.328 0.000 1.094 383 T CA 1.435 63.425 62.100 -0.184 0.000 1.127 383 T CB 0.222 69.032 68.868 -0.096 0.000 0.905 383 T HN 0.766 nan 8.240 nan 0.000 0.490 384 E N 0.167 120.120 120.200 -0.412 0.000 4.448 384 E HA 0.433 4.783 4.350 -0.000 0.000 0.159 384 E C -1.196 175.102 176.600 -0.504 0.000 1.117 384 E CA -0.708 55.443 56.400 -0.416 0.000 0.873 384 E CB 1.009 30.599 29.700 -0.182 0.000 1.896 384 E HN 0.247 nan 8.360 nan 0.000 0.412 385 D N -0.642 119.631 120.400 -0.212 0.000 2.871 385 D HA 0.071 4.711 4.640 -0.000 0.000 0.330 385 D C -0.847 175.432 176.300 -0.035 0.000 1.364 385 D CA -0.555 53.388 54.000 -0.096 0.000 0.759 385 D CB -0.326 40.488 40.800 0.024 0.000 1.325 385 D HN 0.193 nan 8.370 nan 0.000 0.452 386 S N -0.694 115.007 115.700 0.002 0.000 2.589 386 S HA 0.107 4.577 4.470 -0.000 0.000 0.256 386 S C 0.417 175.019 174.600 0.002 0.000 1.383 386 S CA 0.190 58.392 58.200 0.004 0.000 0.983 386 S CB -0.151 63.060 63.200 0.018 0.000 0.908 386 S HN 0.636 nan 8.310 nan 0.000 0.572 387 K N -0.166 120.232 120.400 -0.003 0.000 2.905 387 K HA -0.236 4.084 4.320 -0.000 0.000 0.256 387 K C -0.668 175.921 176.600 -0.018 0.000 1.008 387 K CA 0.992 57.273 56.287 -0.010 0.000 0.752 387 K CB -1.550 30.945 32.500 -0.008 0.000 1.216 387 K HN 0.596 nan 8.250 nan 0.000 0.479 388 K N 0.273 120.660 120.400 -0.022 0.000 5.029 388 K HA -0.262 4.058 4.320 -0.000 0.000 0.303 388 K C -0.529 176.055 176.600 -0.027 0.000 0.753 388 K CA 1.111 57.378 56.287 -0.033 0.000 0.889 388 K CB -0.715 31.765 32.500 -0.033 0.000 1.950 388 K HN 0.328 nan 8.250 nan 0.000 0.390 389 R N 1.006 121.501 120.500 -0.009 0.000 2.514 389 R HA 0.277 4.617 4.340 -0.000 0.000 0.301 389 R C 0.024 176.353 176.300 0.048 0.000 0.962 389 R CA -0.717 55.398 56.100 0.024 0.000 0.882 389 R CB 1.729 32.071 30.300 0.070 0.000 1.143 389 R HN 0.478 nan 8.270 nan 0.000 0.452 390 S N 1.519 117.248 115.700 0.049 0.000 2.565 390 S HA 0.172 4.642 4.470 -0.000 0.000 0.274 390 S C -0.059 174.661 174.600 0.200 0.000 1.309 390 S CA -0.564 57.666 58.200 0.049 0.000 1.043 390 S CB 0.527 63.730 63.200 0.005 0.000 0.939 390 S HN 0.565 nan 8.310 nan 0.000 0.504 391 Y N 2.010 122.281 120.300 -0.049 0.000 2.775 391 Y HA 0.297 4.847 4.550 -0.000 0.000 0.349 391 Y C 0.854 176.624 175.900 -0.217 0.000 1.094 391 Y CA -1.616 56.431 58.100 -0.089 0.000 1.467 391 Y CB -1.762 36.710 38.460 0.019 0.000 1.272 391 Y HN 0.735 nan 8.280 nan 0.000 0.515 392 N N 1.397 120.052 118.700 -0.074 0.000 2.770 392 N HA -0.241 4.499 4.740 -0.000 0.000 0.283 392 N C -0.524 174.935 175.510 -0.085 0.000 1.009 392 N CA 0.607 53.575 53.050 -0.137 0.000 0.828 392 N CB -0.510 37.800 38.487 -0.295 0.000 0.939 392 N HN 0.403 nan 8.380 nan 0.000 0.580 393 L N 1.458 122.679 121.223 -0.003 0.000 2.380 393 L HA 0.133 4.473 4.340 -0.000 0.000 0.273 393 L C 2.404 179.295 176.870 0.034 0.000 1.138 393 L CA -0.456 54.408 54.840 0.039 0.000 0.832 393 L CB 0.673 42.766 42.059 0.056 0.000 1.124 393 L HN 0.335 nan 8.230 nan 0.000 0.454 394 I N 0.526 121.134 120.570 0.064 0.000 2.185 394 I HA -0.190 3.980 4.170 -0.000 0.000 0.246 394 I C 0.958 177.100 176.117 0.042 0.000 1.088 394 I CA 1.271 62.609 61.300 0.063 0.000 1.347 394 I CB -0.174 37.887 38.000 0.102 0.000 1.041 394 I HN 0.701 nan 8.210 nan 0.000 0.415 395 S N -0.574 115.148 115.700 0.036 0.000 2.625 395 S HA 0.359 4.829 4.470 -0.000 0.000 0.271 395 S C 0.123 174.731 174.600 0.013 0.000 1.161 395 S CA -0.788 57.424 58.200 0.021 0.000 0.820 395 S CB 1.080 64.291 63.200 0.018 0.000 1.137 395 S HN 0.254 nan 8.310 nan 0.000 0.470 396 N N 1.266 119.969 118.700 0.005 0.000 2.513 396 N HA -0.086 4.654 4.740 -0.000 0.000 0.187 396 N C 0.249 175.757 175.510 -0.003 0.000 1.056 396 N CA 1.393 54.443 53.050 0.000 0.000 0.907 396 N CB -0.356 38.129 38.487 -0.003 0.000 0.954 396 N HN 0.618 nan 8.380 nan 0.000 0.445 397 D N 0.145 120.542 120.400 -0.005 0.000 2.805 397 D HA 0.031 4.671 4.640 -0.000 0.000 0.271 397 D C 0.503 176.786 176.300 -0.027 0.000 1.166 397 D CA 0.131 54.121 54.000 -0.017 0.000 1.004 397 D CB -0.740 40.048 40.800 -0.020 0.000 1.136 397 D HN -0.173 nan 8.370 nan 0.000 0.444 398 S N 0.662 116.342 115.700 -0.033 0.000 2.593 398 S HA -0.029 4.441 4.470 -0.000 0.000 0.303 398 S C 1.539 176.115 174.600 -0.039 0.000 1.267 398 S CA 0.668 58.827 58.200 -0.068 0.000 1.047 398 S CB 0.738 63.918 63.200 -0.034 0.000 0.777 398 S HN 0.459 nan 8.310 nan 0.000 0.498 399 T N 0.873 115.358 114.554 -0.115 0.000 3.081 399 T HA 0.211 4.561 4.350 -0.000 0.000 0.255 399 T C 0.392 175.225 174.700 0.222 0.000 1.113 399 T CA 0.102 62.202 62.100 0.000 0.000 1.082 399 T CB -0.275 68.558 68.868 -0.058 0.000 0.939 399 T HN 0.446 nan 8.240 nan 0.000 0.506 400 F N 2.616 122.629 119.950 0.105 0.000 2.371 400 F HA 0.462 4.989 4.527 -0.000 0.000 0.329 400 F C 1.359 177.209 175.800 0.083 0.000 1.107 400 F CA -1.256 56.806 58.000 0.104 0.000 1.137 400 F CB 1.269 40.316 39.000 0.079 0.000 1.214 400 F HN 0.071 nan 8.300 nan 0.000 0.536 401 T N -0.901 113.817 114.554 0.273 0.000 2.936 401 T HA 0.195 4.545 4.350 -0.000 0.000 0.282 401 T C 0.321 175.070 174.700 0.081 0.000 1.003 401 T CA -0.713 61.464 62.100 0.128 0.000 1.005 401 T CB 1.752 70.666 68.868 0.076 0.000 1.097 401 T HN 0.673 nan 8.240 nan 0.000 0.532 402 Q N -0.448 119.346 119.800 -0.010 0.000 2.472 402 Q HA 0.120 4.460 4.340 -0.000 0.000 0.208 402 Q C -0.454 175.649 176.000 0.173 0.000 0.958 402 Q CA 0.368 56.208 55.803 0.062 0.000 0.932 402 Q CB -0.130 28.594 28.738 -0.022 0.000 1.007 402 Q HN 0.663 nan 8.270 nan 0.000 0.508 403 Y N 0.884 121.203 120.300 0.032 0.000 2.480 403 Y HA 0.144 4.694 4.550 -0.000 0.000 0.341 403 Y C 0.297 176.159 175.900 -0.064 0.000 1.031 403 Y CA -0.702 57.375 58.100 -0.039 0.000 1.295 403 Y CB 0.456 38.796 38.460 -0.200 0.000 1.162 403 Y HN -0.100 nan 8.280 nan 0.000 0.523 404 R N 2.099 122.714 120.500 0.192 0.000 2.346 404 R HA 0.280 4.620 4.340 -0.000 0.000 0.311 404 R C -0.625 175.653 176.300 -0.036 0.000 0.983 404 R CA -0.416 55.682 56.100 -0.004 0.000 0.880 404 R CB 1.582 31.799 30.300 -0.138 0.000 1.100 404 R HN 0.494 nan 8.270 nan 0.000 0.453 405 S N 2.524 118.182 115.700 -0.070 0.000 2.454 405 S HA 0.157 4.627 4.470 -0.000 0.000 0.306 405 S C 0.405 175.074 174.600 0.114 0.000 1.100 405 S CA -0.815 57.393 58.200 0.013 0.000 1.087 405 S CB 0.547 63.750 63.200 0.006 0.000 1.019 405 S HN 0.748 nan 8.310 nan 0.000 0.480 406 W N 5.371 126.708 121.300 0.061 0.000 2.352 406 W HA -0.170 4.490 4.660 -0.000 0.000 0.322 406 W C 1.688 178.296 176.519 0.148 0.000 1.208 406 W CA 1.875 59.276 57.345 0.092 0.000 1.286 406 W CB -0.989 28.535 29.460 0.107 0.000 1.167 406 W HN 0.975 nan 8.180 nan 0.000 0.469 407 Y N 0.847 121.180 120.300 0.055 0.000 2.219 407 Y HA -0.356 4.194 4.550 -0.000 0.000 0.283 407 Y C 2.207 178.012 175.900 -0.158 0.000 1.191 407 Y CA 2.607 60.611 58.100 -0.161 0.000 1.199 407 Y CB -0.681 37.865 38.460 0.143 0.000 0.972 407 Y HN 0.036 nan 8.280 nan 0.000 0.527 408 L N -1.212 119.981 121.223 -0.049 0.000 2.023 408 L HA -0.155 4.185 4.340 -0.000 0.000 0.205 408 L C 2.818 179.598 176.870 -0.149 0.000 1.073 408 L CA 1.022 55.821 54.840 -0.067 0.000 0.745 408 L CB -1.226 40.767 42.059 -0.110 0.000 0.900 408 L HN 0.239 nan 8.230 nan 0.000 0.435 409 A N -0.527 122.164 122.820 -0.216 0.000 1.948 409 A HA -0.311 4.009 4.320 -0.000 0.000 0.220 409 A C 2.194 179.590 177.584 -0.313 0.000 1.177 409 A CA 1.854 53.755 52.037 -0.227 0.000 0.636 409 A CB -0.978 17.911 19.000 -0.185 0.000 0.815 409 A HN 0.472 nan 8.150 nan 0.000 0.449 410 Y N 2.041 121.937 120.300 -0.674 0.000 2.089 410 Y HA -0.255 4.295 4.550 -0.000 0.000 0.282 410 Y C 1.890 177.486 175.900 -0.506 0.000 1.139 410 Y CA 2.503 60.185 58.100 -0.696 0.000 1.123 410 Y CB -0.119 37.676 38.460 -1.109 0.000 0.980 410 Y HN 0.543 nan 8.280 nan 0.000 0.493 411 N N -2.660 115.796 118.700 -0.408 0.000 2.236 411 N HA -0.009 4.731 4.740 -0.000 0.000 0.196 411 N C 0.285 175.445 175.510 -0.583 0.000 1.114 411 N CA 0.513 53.266 53.050 -0.494 0.000 0.859 411 N CB -0.541 37.647 38.487 -0.498 0.000 0.982 411 N HN 0.409 nan 8.380 nan 0.000 0.493 412 Y N 0.121 120.241 120.300 -0.300 0.000 2.445 412 Y HA 0.477 5.027 4.550 -0.000 0.000 0.247 412 Y C 1.498 177.271 175.900 -0.212 0.000 1.129 412 Y CA -0.505 57.453 58.100 -0.238 0.000 1.251 412 Y CB 0.724 39.036 38.460 -0.246 0.000 1.176 412 Y HN 0.065 nan 8.280 nan 0.000 0.522 413 G N -0.786 107.941 108.800 -0.121 0.000 2.521 413 G HA2 0.110 4.070 3.960 -0.000 0.000 0.323 413 G HA3 0.110 4.070 3.960 -0.000 0.000 0.323 413 G C -1.120 173.704 174.900 -0.128 0.000 1.211 413 G CA -0.543 44.488 45.100 -0.114 0.000 0.979 413 G HN -0.057 nan 8.290 nan 0.000 0.490 414 D N 0.260 120.607 120.400 -0.089 0.000 2.554 414 D HA 0.031 4.671 4.640 -0.000 0.000 0.251 414 D C -1.159 175.076 176.300 -0.108 0.000 1.213 414 D CA -1.123 52.830 54.000 -0.079 0.000 0.900 414 D CB 1.366 42.139 40.800 -0.045 0.000 1.135 414 D HN -0.094 nan 8.370 nan 0.000 0.522 415 P HA -0.112 nan 4.420 nan 0.000 0.218 415 P C 1.095 178.331 177.300 -0.108 0.000 1.149 415 P CA 1.114 64.115 63.100 -0.164 0.000 0.817 415 P CB 0.274 31.874 31.700 -0.166 0.000 0.785 416 Q N -1.522 118.237 119.800 -0.068 0.000 2.187 416 Q HA -0.041 4.299 4.340 -0.000 0.000 0.199 416 Q C 1.744 177.737 176.000 -0.010 0.000 0.957 416 Q CA 1.849 57.630 55.803 -0.037 0.000 0.857 416 Q CB -0.256 28.464 28.738 -0.029 0.000 0.929 416 Q HN 0.346 nan 8.270 nan 0.000 0.453 417 T N -4.060 110.490 114.554 -0.008 0.000 2.958 417 T HA 0.231 4.581 4.350 -0.000 0.000 0.256 417 T C 1.069 175.800 174.700 0.052 0.000 0.983 417 T CA 0.211 62.325 62.100 0.022 0.000 0.924 417 T CB 0.342 69.216 68.868 0.010 0.000 1.136 417 T HN 0.160 nan 8.240 nan 0.000 0.506 418 G N 1.749 110.558 108.800 0.015 0.000 2.393 418 G HA2 0.361 4.321 3.960 -0.000 0.000 0.268 418 G HA3 0.361 4.321 3.960 -0.000 0.000 0.268 418 G C 0.680 175.646 174.900 0.110 0.000 1.472 418 G CA -0.080 45.033 45.100 0.022 0.000 1.059 418 G HN 0.190 nan 8.290 nan 0.000 0.555 419 I N -0.252 120.346 120.570 0.046 0.000 2.716 419 I HA 0.107 4.277 4.170 -0.000 0.000 0.259 419 I C 2.689 178.746 176.117 -0.099 0.000 1.172 419 I CA 0.314 61.645 61.300 0.052 0.000 1.478 419 I CB -0.322 37.722 38.000 0.074 0.000 1.104 419 I HN 0.509 nan 8.210 nan 0.000 0.439 420 R N -0.283 120.086 120.500 -0.218 0.000 2.303 420 R HA -0.158 4.182 4.340 -0.000 0.000 0.225 420 R C 2.214 178.400 176.300 -0.190 0.000 1.114 420 R CA 1.348 57.183 56.100 -0.441 0.000 1.007 420 R CB -0.158 29.642 30.300 -0.834 0.000 0.861 420 R HN 0.312 nan 8.270 nan 0.000 0.471 421 S N 0.115 115.799 115.700 -0.026 0.000 2.406 421 S HA -0.069 4.401 4.470 -0.000 0.000 0.228 421 S C 1.070 175.795 174.600 0.208 0.000 1.020 421 S CA 0.868 59.123 58.200 0.092 0.000 0.965 421 S CB -0.062 63.236 63.200 0.165 0.000 0.798 421 S HN 0.703 nan 8.310 nan 0.000 0.488 422 W N 1.983 123.303 121.300 0.033 0.000 2.252 422 W HA 0.406 5.066 4.660 -0.000 0.000 0.338 422 W C -0.451 176.100 176.519 0.053 0.000 0.914 422 W CA 0.101 57.463 57.345 0.028 0.000 1.754 422 W CB -1.233 28.227 29.460 0.001 0.000 1.135 422 W HN 0.279 nan 8.180 nan 0.000 0.531 423 T N -1.004 113.390 114.554 -0.266 0.000 2.896 423 T HA 0.717 5.067 4.350 -0.000 0.000 0.297 423 T C -1.454 173.344 174.700 0.162 0.000 1.108 423 T CA -0.677 61.300 62.100 -0.204 0.000 1.004 423 T CB 2.911 71.593 68.868 -0.309 0.000 1.159 423 T HN 0.166 nan 8.240 nan 0.000 0.499 424 L N 2.132 123.445 121.223 0.149 0.000 2.385 424 L HA 0.638 4.978 4.340 -0.000 0.000 0.273 424 L C -1.229 175.665 176.870 0.040 0.000 0.990 424 L CA -1.443 53.510 54.840 0.188 0.000 0.821 424 L CB 1.840 43.957 42.059 0.097 0.000 1.279 424 L HN 0.796 nan 8.230 nan 0.000 0.412 425 L N 5.232 126.320 121.223 -0.225 0.000 2.385 425 L HA 0.365 4.705 4.340 -0.000 0.000 0.281 425 L C -0.776 176.011 176.870 -0.139 0.000 1.106 425 L CA 0.371 55.007 54.840 -0.340 0.000 0.856 425 L CB 0.114 41.659 42.059 -0.857 0.000 1.186 425 L HN 0.642 nan 8.230 nan 0.000 0.453 426 C N 1.689 120.965 119.300 -0.040 0.000 2.913 426 C HA 0.581 5.041 4.460 -0.000 0.000 0.322 426 C C 0.397 175.453 174.990 0.110 0.000 1.292 426 C CA -0.838 58.190 59.018 0.018 0.000 1.649 426 C CB 1.727 29.473 27.740 0.009 0.000 2.139 426 C HN 0.800 nan 8.230 nan 0.000 0.475 427 T N 3.503 118.095 114.554 0.063 0.000 2.928 427 T HA 0.104 4.454 4.350 -0.000 0.000 0.305 427 T C -1.464 173.258 174.700 0.037 0.000 1.035 427 T CA 0.089 62.229 62.100 0.067 0.000 1.145 427 T CB 0.387 69.269 68.868 0.023 0.000 0.963 427 T HN 0.567 nan 8.240 nan 0.000 0.545 428 P HA -0.152 nan 4.420 nan 0.000 0.201 428 P C 0.070 177.328 177.300 -0.070 0.000 1.046 428 P CA 1.209 64.267 63.100 -0.069 0.000 0.942 428 P CB 0.077 31.717 31.700 -0.100 0.000 0.733 429 D N -2.376 117.990 120.400 -0.056 0.000 4.874 429 D HA -0.104 4.536 4.640 -0.000 0.000 0.228 429 D C 0.549 176.811 176.300 -0.063 0.000 1.423 429 D CA 0.558 54.530 54.000 -0.047 0.000 1.130 429 D CB -0.623 40.150 40.800 -0.045 0.000 0.564 429 D HN 0.065 nan 8.370 nan 0.000 0.272 430 V N 2.472 122.360 119.914 -0.043 0.000 2.488 430 V HA -0.131 3.989 4.120 -0.000 0.000 0.246 430 V C 2.655 178.713 176.094 -0.060 0.000 1.046 430 V CA 2.638 64.904 62.300 -0.057 0.000 1.053 430 V CB -1.126 30.685 31.823 -0.020 0.000 0.679 430 V HN 0.797 nan 8.190 nan 0.000 0.458 431 T N -3.077 111.461 114.554 -0.026 0.000 2.896 431 T HA -0.320 4.030 4.350 -0.000 0.000 0.270 431 T C 1.417 176.083 174.700 -0.056 0.000 1.104 431 T CA 1.429 63.514 62.100 -0.025 0.000 1.115 431 T CB -1.323 67.550 68.868 0.008 0.000 0.843 431 T HN 1.044 nan 8.240 nan 0.000 0.523 432 C N -0.283 118.975 119.300 -0.070 0.000 4.933 432 C HA 0.098 4.558 4.460 -0.000 0.000 0.249 432 C C 1.153 176.106 174.990 -0.062 0.000 1.406 432 C CA 0.559 59.528 59.018 -0.083 0.000 1.505 432 C CB -2.049 25.637 27.740 -0.090 0.000 1.870 432 C HN 1.800 nan 8.230 nan 0.000 0.651 433 G N 0.028 108.802 108.800 -0.042 0.000 2.661 433 G HA2 0.347 4.307 3.960 -0.000 0.000 0.262 433 G HA3 0.347 4.307 3.960 -0.000 0.000 0.262 433 G C -0.481 174.414 174.900 -0.008 0.000 1.310 433 G CA 0.036 45.121 45.100 -0.026 0.000 1.160 433 G HN 0.848 nan 8.290 nan 0.000 0.598 434 S N 2.408 118.112 115.700 0.006 0.000 2.714 434 S HA 0.237 4.707 4.470 -0.000 0.000 0.318 434 S C 0.477 175.101 174.600 0.041 0.000 1.219 434 S CA 0.204 58.421 58.200 0.028 0.000 1.175 434 S CB 0.636 63.853 63.200 0.028 0.000 0.961 434 S HN 0.539 nan 8.310 nan 0.000 0.518 435 E N 2.374 122.600 120.200 0.045 0.000 2.222 435 E HA 0.395 4.745 4.350 -0.000 0.000 0.267 435 E C -0.297 176.362 176.600 0.098 0.000 0.963 435 E CA -0.834 55.599 56.400 0.055 0.000 0.837 435 E CB 1.343 31.049 29.700 0.010 0.000 1.183 435 E HN 0.586 nan 8.360 nan 0.000 0.403 436 Q N -0.371 119.515 119.800 0.143 0.000 2.248 436 Q HA 0.650 4.990 4.340 -0.000 0.000 0.263 436 Q C -0.297 175.848 176.000 0.242 0.000 1.007 436 Q CA -1.084 54.847 55.803 0.213 0.000 0.877 436 Q CB 1.462 30.367 28.738 0.278 0.000 1.315 436 Q HN 0.285 nan 8.270 nan 0.000 0.454 437 V N -2.219 117.860 119.914 0.274 0.000 2.769 437 V HA 0.634 4.754 4.120 -0.000 0.000 0.312 437 V C -1.244 175.109 176.094 0.432 0.000 1.061 437 V CA -0.943 61.490 62.300 0.222 0.000 0.931 437 V CB 1.167 33.017 31.823 0.045 0.000 1.010 437 V HN 0.814 nan 8.190 nan 0.000 0.433 438 Y N 1.183 121.482 120.300 -0.002 0.000 2.377 438 Y HA 0.578 5.128 4.550 -0.000 0.000 0.339 438 Y C -0.487 175.407 175.900 -0.010 0.000 1.011 438 Y CA -0.865 57.267 58.100 0.052 0.000 1.093 438 Y CB 2.101 40.602 38.460 0.069 0.000 1.201 438 Y HN 0.685 nan 8.280 nan 0.000 0.455 439 W N 1.208 122.557 121.300 0.082 0.000 2.390 439 W HA 0.589 5.249 4.660 -0.000 0.000 0.362 439 W C -0.709 175.778 176.519 -0.055 0.000 1.206 439 W CA -0.273 57.062 57.345 -0.017 0.000 1.355 439 W CB 1.663 31.037 29.460 -0.144 0.000 1.278 439 W HN 0.368 nan 8.180 nan 0.000 0.653 440 S N 0.739 116.567 115.700 0.213 0.000 2.563 440 S HA 0.486 4.956 4.470 -0.000 0.000 0.279 440 S C -1.157 173.400 174.600 -0.071 0.000 1.155 440 S CA -0.935 57.280 58.200 0.026 0.000 0.928 440 S CB 0.434 63.664 63.200 0.050 0.000 1.107 440 S HN 0.448 nan 8.310 nan 0.000 0.462 441 L N 1.770 122.908 121.223 -0.141 0.000 3.083 441 L HA 0.332 4.672 4.340 -0.000 0.000 0.286 441 L C -2.101 174.630 176.870 -0.232 0.000 1.307 441 L CA -1.952 52.778 54.840 -0.184 0.000 0.897 441 L CB 0.630 42.606 42.059 -0.138 0.000 1.306 441 L HN 0.398 nan 8.230 nan 0.000 0.569 442 P HA -0.278 nan 4.420 nan 0.000 0.229 442 P C 0.596 177.765 177.300 -0.219 0.000 1.152 442 P CA 1.730 64.620 63.100 -0.351 0.000 0.915 442 P CB 0.123 31.373 31.700 -0.751 0.000 0.784 443 D N -2.985 117.287 120.400 -0.214 0.000 2.340 443 D HA 0.126 4.766 4.640 -0.000 0.000 0.217 443 D C 1.461 177.695 176.300 -0.110 0.000 1.081 443 D CA 0.372 54.289 54.000 -0.139 0.000 0.842 443 D CB 0.166 40.886 40.800 -0.133 0.000 0.934 443 D HN 0.308 nan 8.370 nan 0.000 0.511 444 M N -0.725 118.805 119.600 -0.116 0.000 2.180 444 M HA 0.096 4.576 4.480 -0.000 0.000 0.289 444 M C -0.782 175.471 176.300 -0.078 0.000 1.089 444 M CA 0.219 55.461 55.300 -0.096 0.000 1.120 444 M CB 0.940 33.475 32.600 -0.108 0.000 1.864 444 M HN -0.242 nan 8.290 nan 0.000 0.636 445 M N 1.284 120.834 119.600 -0.082 0.000 2.644 445 M HA 0.445 4.925 4.480 -0.000 0.000 0.316 445 M C -0.499 175.776 176.300 -0.042 0.000 1.200 445 M CA -0.380 54.884 55.300 -0.060 0.000 0.944 445 M CB 1.218 33.772 32.600 -0.077 0.000 1.691 445 M HN 0.077 nan 8.290 nan 0.000 0.471 446 Q N 0.983 120.772 119.800 -0.017 0.000 2.354 446 Q HA 0.174 4.514 4.340 -0.000 0.000 0.244 446 Q C -0.879 175.120 176.000 -0.000 0.000 0.969 446 Q CA -0.307 55.495 55.803 -0.001 0.000 0.885 446 Q CB 0.788 29.533 28.738 0.012 0.000 1.241 446 Q HN 0.444 nan 8.270 nan 0.000 0.461 447 D N 3.552 123.967 120.400 0.025 0.000 2.338 447 D HA 0.164 4.804 4.640 -0.000 0.000 0.255 447 D C -2.230 174.137 176.300 0.113 0.000 1.237 447 D CA -1.324 52.709 54.000 0.055 0.000 0.883 447 D CB 0.232 41.089 40.800 0.095 0.000 1.087 447 D HN 0.109 nan 8.370 nan 0.000 0.485 448 P HA -0.140 nan 4.420 nan 0.000 0.259 448 P C 1.213 178.690 177.300 0.295 0.000 1.163 448 P CA -0.039 63.181 63.100 0.200 0.000 0.760 448 P CB 0.668 32.484 31.700 0.193 0.000 0.762 449 V N 2.825 122.830 119.914 0.152 0.000 2.275 449 V HA -0.428 3.692 4.120 -0.000 0.000 0.165 449 V C 1.884 178.019 176.094 0.068 0.000 0.956 449 V CA 2.962 65.315 62.300 0.089 0.000 1.690 449 V CB -2.418 29.439 31.823 0.057 0.000 1.014 449 V HN 0.799 nan 8.190 nan 0.000 0.453 450 T N -2.829 111.729 114.554 0.007 0.000 3.069 450 T HA 0.371 4.721 4.350 -0.000 0.000 0.252 450 T C 0.021 174.637 174.700 -0.140 0.000 1.053 450 T CA -0.133 61.911 62.100 -0.093 0.000 0.964 450 T CB -0.297 68.463 68.868 -0.179 0.000 1.005 450 T HN 0.234 nan 8.240 nan 0.000 0.532 451 F N 3.210 123.183 119.950 0.039 0.000 2.410 451 F HA 0.461 4.988 4.527 -0.000 0.000 0.334 451 F C 1.125 176.954 175.800 0.048 0.000 1.134 451 F CA -1.199 56.832 58.000 0.052 0.000 1.227 451 F CB 0.797 39.839 39.000 0.069 0.000 1.194 451 F HN 0.057 nan 8.300 nan 0.000 0.571 452 R N 0.074 120.711 120.500 0.229 0.000 2.664 452 R HA 0.661 5.001 4.340 -0.000 0.000 0.286 452 R C -0.959 175.443 176.300 0.170 0.000 0.967 452 R CA -0.937 55.254 56.100 0.150 0.000 0.933 452 R CB 1.271 31.626 30.300 0.092 0.000 1.146 452 R HN 0.640 nan 8.270 nan 0.000 0.468 453 S N 1.029 116.808 115.700 0.132 0.000 2.548 453 S HA 0.262 4.732 4.470 -0.000 0.000 0.277 453 S C 0.028 174.707 174.600 0.131 0.000 1.315 453 S CA -0.386 57.895 58.200 0.134 0.000 1.050 453 S CB 1.482 64.739 63.200 0.095 0.000 0.918 453 S HN 0.772 nan 8.310 nan 0.000 0.497 454 T N 0.095 114.754 114.554 0.176 0.000 2.647 454 T HA 0.593 4.943 4.350 -0.000 0.000 0.295 454 T C 0.152 174.977 174.700 0.209 0.000 1.126 454 T CA -0.034 62.149 62.100 0.138 0.000 1.040 454 T CB 0.903 69.817 68.868 0.078 0.000 1.472 454 T HN 0.892 nan 8.240 nan 0.000 0.500 455 S N -0.043 115.726 115.700 0.114 0.000 2.819 455 S HA 0.267 4.737 4.470 -0.000 0.000 0.249 455 S C 0.306 174.854 174.600 -0.087 0.000 1.030 455 S CA -0.381 57.909 58.200 0.150 0.000 1.052 455 S CB -0.072 63.194 63.200 0.112 0.000 1.017 455 S HN 0.683 nan 8.310 nan 0.000 0.576 456 Q N 2.205 121.861 119.800 -0.239 0.000 2.490 456 Q HA 0.270 4.610 4.340 -0.000 0.000 0.226 456 Q C 0.925 176.496 176.000 -0.715 0.000 1.132 456 Q CA -0.523 55.085 55.803 -0.324 0.000 0.928 456 Q CB -0.043 28.589 28.738 -0.176 0.000 1.299 456 Q HN 0.452 nan 8.270 nan 0.000 0.528 457 I N 1.334 121.414 120.570 -0.817 0.000 2.292 457 I HA -0.388 3.782 4.170 -0.000 0.000 0.255 457 I C 1.446 177.213 176.117 -0.583 0.000 1.078 457 I CA 1.998 62.746 61.300 -0.920 0.000 1.365 457 I CB -1.359 36.490 38.000 -0.253 0.000 1.049 457 I HN 0.520 nan 8.210 nan 0.000 0.439 458 S N -0.836 114.654 115.700 -0.351 0.000 2.685 458 S HA 0.230 4.700 4.470 -0.000 0.000 0.240 458 S C 0.859 175.378 174.600 -0.135 0.000 0.967 458 S CA 0.052 58.145 58.200 -0.178 0.000 1.009 458 S CB -1.085 62.052 63.200 -0.105 0.000 0.776 458 S HN 0.776 nan 8.310 nan 0.000 0.467 459 N N -0.543 118.039 118.700 -0.197 0.000 1.958 459 N HA 0.210 4.950 4.740 -0.000 0.000 0.223 459 N C -0.964 174.589 175.510 0.072 0.000 1.395 459 N CA -0.256 52.776 53.050 -0.031 0.000 0.737 459 N CB 0.296 38.768 38.487 -0.026 0.000 1.155 459 N HN 0.148 nan 8.380 nan 0.000 0.529 460 F N 2.297 122.273 119.950 0.044 0.000 2.657 460 F HA 0.117 4.644 4.527 -0.000 0.000 0.347 460 F C -1.665 174.122 175.800 -0.021 0.000 1.180 460 F CA -0.901 57.108 58.000 0.015 0.000 1.383 460 F CB -0.301 38.693 39.000 -0.010 0.000 1.077 460 F HN 0.006 nan 8.300 nan 0.000 0.622 461 P HA 0.186 nan 4.420 nan 0.000 0.274 461 P C -0.972 176.092 177.300 -0.394 0.000 1.231 461 P CA -0.193 62.747 63.100 -0.266 0.000 0.790 461 P CB 0.732 32.341 31.700 -0.150 0.000 0.951 462 V N 2.500 121.886 119.914 -0.881 0.000 2.532 462 V HA 0.217 4.337 4.120 -0.000 0.000 0.295 462 V C 1.202 177.092 176.094 -0.340 0.000 1.041 462 V CA -0.120 61.937 62.300 -0.406 0.000 0.926 462 V CB 1.626 33.303 31.823 -0.245 0.000 0.992 462 V HN 0.494 nan 8.190 nan 0.000 0.457 463 V N 0.129 119.946 119.914 -0.161 0.000 3.485 463 V HA 0.736 4.856 4.120 -0.000 0.000 0.280 463 V C 0.516 176.511 176.094 -0.165 0.000 1.495 463 V CA 0.576 62.783 62.300 -0.154 0.000 1.018 463 V CB 0.366 32.096 31.823 -0.155 0.000 0.818 463 V HN 0.998 nan 8.190 nan 0.000 0.436 464 G N -0.280 108.435 108.800 -0.142 0.000 2.755 464 G HA2 0.756 4.716 3.960 -0.000 0.000 0.297 464 G HA3 0.756 4.716 3.960 -0.000 0.000 0.297 464 G C -1.180 173.766 174.900 0.077 0.000 1.441 464 G CA 0.021 45.008 45.100 -0.188 0.000 0.964 464 G HN 0.822 nan 8.290 nan 0.000 0.540 465 A N 0.973 123.883 122.820 0.150 0.000 2.356 465 A HA 0.987 5.307 4.320 -0.000 0.000 0.323 465 A C -0.363 177.409 177.584 0.313 0.000 1.119 465 A CA -0.586 51.528 52.037 0.127 0.000 0.790 465 A CB 2.033 20.957 19.000 -0.126 0.000 1.273 465 A HN 1.118 nan 8.150 nan 0.000 0.452 466 E N 1.463 121.850 120.200 0.313 0.000 2.378 466 E HA 0.398 4.747 4.350 -0.000 0.000 0.283 466 E C -1.950 174.793 176.600 0.238 0.000 0.979 466 E CA -0.758 55.824 56.400 0.303 0.000 0.795 466 E CB 1.162 31.142 29.700 0.467 0.000 1.221 466 E HN 0.573 nan 8.360 nan 0.000 0.428 467 L N 3.307 124.643 121.223 0.189 0.000 2.456 467 L HA 0.183 4.523 4.340 -0.000 0.000 0.272 467 L C -0.379 176.594 176.870 0.171 0.000 1.189 467 L CA -0.172 54.767 54.840 0.165 0.000 0.846 467 L CB 0.726 42.869 42.059 0.140 0.000 1.111 467 L HN 0.619 nan 8.230 nan 0.000 0.475 468 L N 8.218 129.530 121.223 0.147 0.000 2.456 468 L HA 0.300 4.640 4.340 -0.000 0.000 0.277 468 L C -1.913 175.044 176.870 0.146 0.000 1.124 468 L CA -1.510 53.410 54.840 0.134 0.000 0.880 468 L CB -0.220 41.902 42.059 0.106 0.000 1.192 468 L HN 0.503 nan 8.230 nan 0.000 0.463 469 P HA -0.080 nan 4.420 nan 0.000 0.148 469 P C -1.330 176.048 177.300 0.129 0.000 0.993 469 P CA 0.614 63.800 63.100 0.143 0.000 1.195 469 P CB -0.411 31.380 31.700 0.153 0.000 1.599 470 V N 1.586 121.620 119.914 0.201 0.000 2.711 470 V HA 0.335 4.455 4.120 -0.000 0.000 0.304 470 V C -0.136 176.188 176.094 0.383 0.000 1.097 470 V CA -0.728 61.691 62.300 0.198 0.000 0.906 470 V CB 1.940 33.842 31.823 0.131 0.000 1.015 470 V HN 0.343 nan 8.190 nan 0.000 0.427 471 H N 1.116 120.223 119.070 0.063 0.000 2.797 471 H HA 0.577 5.133 4.556 -0.000 0.000 0.362 471 H C -0.665 174.690 175.328 0.045 0.000 1.183 471 H CA -0.968 55.107 56.048 0.045 0.000 1.197 471 H CB 2.316 32.101 29.762 0.038 0.000 1.835 471 H HN 0.561 nan 8.280 nan 0.000 0.567 472 S N 1.969 117.740 115.700 0.119 0.000 2.488 472 S HA 0.109 4.579 4.470 -0.000 0.000 0.310 472 S C 0.006 174.635 174.600 0.048 0.000 1.093 472 S CA -0.661 57.583 58.200 0.073 0.000 1.129 472 S CB 0.268 63.480 63.200 0.020 0.000 0.989 472 S HN 0.268 nan 8.310 nan 0.000 0.479 473 K N 2.101 122.543 120.400 0.070 0.000 2.249 473 K HA 0.375 4.695 4.320 -0.000 0.000 0.280 473 K C -0.276 176.249 176.600 -0.124 0.000 1.033 473 K CA -0.071 56.179 56.287 -0.063 0.000 0.946 473 K CB 1.102 33.589 32.500 -0.022 0.000 1.005 473 K HN 0.438 nan 8.250 nan 0.000 0.469 474 S N 3.097 118.601 115.700 -0.327 0.000 2.482 474 S HA 0.633 5.103 4.470 -0.000 0.000 0.303 474 S C -0.846 173.490 174.600 -0.440 0.000 1.091 474 S CA -0.610 57.466 58.200 -0.206 0.000 1.057 474 S CB 0.570 63.715 63.200 -0.091 0.000 1.031 474 S HN 0.353 nan 8.310 nan 0.000 0.485 475 F N 0.955 120.928 119.950 0.038 0.000 2.654 475 F HA 0.555 5.082 4.527 -0.000 0.000 0.334 475 F C -0.683 175.178 175.800 0.101 0.000 1.078 475 F CA -1.080 56.958 58.000 0.062 0.000 0.986 475 F CB 0.930 39.951 39.000 0.035 0.000 1.362 475 F HN 0.496 nan 8.300 nan 0.000 0.498 476 Y N 2.260 122.686 120.300 0.210 0.000 2.331 476 Y HA 0.403 4.953 4.550 -0.000 0.000 0.334 476 Y C -0.737 175.212 175.900 0.082 0.000 0.960 476 Y CA -1.152 57.008 58.100 0.100 0.000 1.130 476 Y CB 0.994 39.487 38.460 0.055 0.000 1.164 476 Y HN 0.534 nan 8.280 nan 0.000 0.458 477 N N 3.689 122.161 118.700 -0.381 0.000 2.750 477 N HA 0.099 4.839 4.740 -0.000 0.000 0.253 477 N C -0.546 174.755 175.510 -0.348 0.000 1.408 477 N CA -0.432 52.489 53.050 -0.215 0.000 0.780 477 N CB 0.580 38.995 38.487 -0.119 0.000 1.191 477 N HN 0.627 nan 8.380 nan 0.000 0.511 478 D N 0.569 120.751 120.400 -0.363 0.000 2.389 478 D HA -0.098 4.542 4.640 -0.000 0.000 0.221 478 D C 1.101 177.362 176.300 -0.064 0.000 0.974 478 D CA 0.783 54.663 54.000 -0.201 0.000 0.923 478 D CB 0.415 41.286 40.800 0.118 0.000 0.892 478 D HN 0.416 nan 8.370 nan 0.000 0.518 479 Q N -0.076 119.701 119.800 -0.038 0.000 2.500 479 Q HA 0.042 4.382 4.340 -0.000 0.000 0.213 479 Q C 0.545 176.580 176.000 0.058 0.000 0.974 479 Q CA 0.145 55.974 55.803 0.044 0.000 0.918 479 Q CB -0.246 28.516 28.738 0.040 0.000 0.980 479 Q HN 0.187 nan 8.270 nan 0.000 0.505 480 A N 0.128 122.937 122.820 -0.019 0.000 2.440 480 A HA 0.295 4.615 4.320 -0.000 0.000 0.251 480 A C 1.220 178.825 177.584 0.034 0.000 1.089 480 A CA 0.080 52.104 52.037 -0.020 0.000 0.779 480 A CB 0.509 19.460 19.000 -0.082 0.000 1.022 480 A HN 0.136 nan 8.150 nan 0.000 0.492 481 V N 0.463 120.399 119.914 0.037 0.000 2.070 481 V HA -0.333 3.787 4.120 -0.000 0.000 0.100 481 V C 1.032 177.190 176.094 0.107 0.000 0.533 481 V CA 2.597 64.929 62.300 0.054 0.000 1.406 481 V CB -2.708 29.143 31.823 0.047 0.000 1.610 481 V HN 1.169 nan 8.190 nan 0.000 0.921 482 Y N -0.605 119.702 120.300 0.013 0.000 2.498 482 Y HA 0.314 4.864 4.550 -0.000 0.000 0.259 482 Y C 2.102 178.024 175.900 0.037 0.000 1.086 482 Y CA 1.559 59.676 58.100 0.029 0.000 1.287 482 Y CB 0.864 39.337 38.460 0.021 0.000 1.146 482 Y HN 0.186 nan 8.280 nan 0.000 0.523 483 S N -0.168 115.620 115.700 0.147 0.000 2.387 483 S HA -0.146 4.324 4.470 -0.000 0.000 0.221 483 S C 2.053 176.675 174.600 0.037 0.000 1.041 483 S CA 1.089 59.340 58.200 0.086 0.000 0.959 483 S CB -0.424 62.815 63.200 0.065 0.000 0.843 483 S HN 0.700 nan 8.310 nan 0.000 0.488 484 Q N 0.357 120.170 119.800 0.021 0.000 2.133 484 Q HA -0.207 4.133 4.340 -0.000 0.000 0.208 484 Q C 2.124 178.138 176.000 0.024 0.000 0.991 484 Q CA 1.977 57.784 55.803 0.007 0.000 0.867 484 Q CB -0.504 28.234 28.738 0.001 0.000 0.911 484 Q HN 0.527 nan 8.270 nan 0.000 0.417 485 L N 0.492 121.729 121.223 0.023 0.000 2.012 485 L HA -0.129 4.211 4.340 -0.000 0.000 0.210 485 L C 2.191 179.171 176.870 0.184 0.000 1.073 485 L CA 1.783 56.656 54.840 0.053 0.000 0.748 485 L CB -0.210 41.796 42.059 -0.087 0.000 0.891 485 L HN 0.382 nan 8.230 nan 0.000 0.431 486 I N -1.629 118.995 120.570 0.090 0.000 2.703 486 I HA -0.097 4.074 4.170 -0.000 0.000 0.259 486 I C 2.552 178.776 176.117 0.179 0.000 1.151 486 I CA 0.362 61.765 61.300 0.172 0.000 1.470 486 I CB -0.297 37.726 38.000 0.039 0.000 1.112 486 I HN 0.221 nan 8.210 nan 0.000 0.437 487 R N 1.298 121.848 120.500 0.084 0.000 2.105 487 R HA -0.230 4.110 4.340 -0.000 0.000 0.239 487 R C 2.167 178.469 176.300 0.003 0.000 1.135 487 R CA 1.739 57.862 56.100 0.038 0.000 0.967 487 R CB -0.119 30.183 30.300 0.003 0.000 0.861 487 R HN 0.429 nan 8.270 nan 0.000 0.442 488 Q N -0.950 118.820 119.800 -0.050 0.000 2.181 488 Q HA -0.170 4.170 4.340 -0.000 0.000 0.205 488 Q C 1.717 177.469 176.000 -0.414 0.000 0.980 488 Q CA 1.680 57.325 55.803 -0.262 0.000 0.862 488 Q CB -0.019 28.518 28.738 -0.335 0.000 0.905 488 Q HN 0.375 nan 8.270 nan 0.000 0.429 489 F N -0.737 119.157 119.950 -0.094 0.000 2.335 489 F HA -0.047 4.480 4.527 -0.000 0.000 0.296 489 F C 2.448 178.211 175.800 -0.062 0.000 1.091 489 F CA 0.854 58.808 58.000 -0.077 0.000 1.399 489 F CB -0.347 38.631 39.000 -0.037 0.000 1.067 489 F HN -0.058 nan 8.300 nan 0.000 0.520 490 T N -0.348 114.285 114.554 0.131 0.000 2.708 490 T HA -0.135 4.215 4.350 -0.000 0.000 0.266 490 T C 1.071 175.783 174.700 0.020 0.000 1.037 490 T CA 1.419 63.559 62.100 0.067 0.000 1.146 490 T CB -0.590 68.309 68.868 0.052 0.000 0.865 490 T HN 0.227 nan 8.240 nan 0.000 0.435 491 S N 1.970 117.662 115.700 -0.013 0.000 2.474 491 S HA 0.338 4.808 4.470 -0.000 0.000 0.276 491 S C 0.950 175.500 174.600 -0.085 0.000 1.227 491 S CA -0.561 57.622 58.200 -0.029 0.000 1.050 491 S CB 0.387 63.582 63.200 -0.008 0.000 0.939 491 S HN 0.319 nan 8.310 nan 0.000 0.490 492 L N 2.384 123.573 121.223 -0.056 0.000 2.642 492 L HA 0.026 4.366 4.340 -0.000 0.000 0.236 492 L C 0.478 177.272 176.870 -0.126 0.000 1.169 492 L CA 0.401 55.200 54.840 -0.069 0.000 0.851 492 L CB -1.212 40.833 42.059 -0.023 0.000 0.968 492 L HN 0.702 nan 8.230 nan 0.000 0.453 493 T N -3.185 111.265 114.554 -0.174 0.000 2.909 493 T HA 0.301 4.651 4.350 -0.000 0.000 0.299 493 T C -0.362 174.176 174.700 -0.270 0.000 1.073 493 T CA -0.580 61.409 62.100 -0.185 0.000 0.999 493 T CB 1.515 70.331 68.868 -0.087 0.000 1.098 493 T HN -0.006 nan 8.240 nan 0.000 0.477 494 H N 0.749 119.770 119.070 -0.082 0.000 2.727 494 H HA 0.295 4.851 4.556 -0.000 0.000 0.312 494 H C 1.595 176.862 175.328 -0.101 0.000 1.204 494 H CA -0.310 55.691 56.048 -0.078 0.000 1.122 494 H CB -0.634 29.081 29.762 -0.079 0.000 1.453 494 H HN 0.276 nan 8.280 nan 0.000 0.514 495 V N -0.490 119.358 119.914 -0.109 0.000 2.380 495 V HA -0.299 3.821 4.120 -0.000 0.000 0.251 495 V C 1.496 177.332 176.094 -0.430 0.000 1.063 495 V CA 1.858 63.968 62.300 -0.315 0.000 1.055 495 V CB -0.497 30.987 31.823 -0.565 0.000 0.657 495 V HN 0.515 nan 8.190 nan 0.000 0.455 496 F N -0.387 119.527 119.950 -0.060 0.000 2.569 496 F HA 0.140 4.667 4.527 -0.000 0.000 0.295 496 F C 1.927 177.649 175.800 -0.131 0.000 1.115 496 F CA 0.849 58.794 58.000 -0.092 0.000 1.450 496 F CB -0.217 38.739 39.000 -0.074 0.000 1.107 496 F HN 0.160 nan 8.300 nan 0.000 0.563 497 N N 0.392 119.129 118.700 0.063 0.000 2.276 497 N HA 0.045 4.785 4.740 -0.000 0.000 0.212 497 N C 1.233 176.708 175.510 -0.058 0.000 1.127 497 N CA -0.012 53.042 53.050 0.006 0.000 0.834 497 N CB -0.157 38.378 38.487 0.080 0.000 1.014 497 N HN 0.007 nan 8.380 nan 0.000 0.491 498 R N -0.396 120.019 120.500 -0.143 0.000 2.338 498 R HA -0.222 4.118 4.340 -0.000 0.000 0.272 498 R C 0.048 176.561 176.300 0.355 0.000 1.180 498 R CA 1.467 57.543 56.100 -0.041 0.000 1.020 498 R CB -0.571 29.605 30.300 -0.207 0.000 0.885 498 R HN 0.394 nan 8.270 nan 0.000 0.488 499 F N 0.644 120.604 119.950 0.016 0.000 2.798 499 F HA 0.252 4.779 4.527 -0.000 0.000 0.333 499 F C -1.463 174.355 175.800 0.030 0.000 1.324 499 F CA -2.280 55.731 58.000 0.019 0.000 1.183 499 F CB 0.894 39.908 39.000 0.023 0.000 1.132 499 F HN -0.144 nan 8.300 nan 0.000 0.521 500 P HA -0.138 nan 4.420 nan 0.000 0.261 500 P C -0.046 177.318 177.300 0.106 0.000 1.277 500 P CA 1.254 64.410 63.100 0.094 0.000 0.748 500 P CB 0.153 31.860 31.700 0.012 0.000 1.062 501 E N -1.275 119.013 120.200 0.147 0.000 2.520 501 E HA 0.046 4.396 4.350 -0.000 0.000 0.201 501 E C 0.856 177.582 176.600 0.210 0.000 0.894 501 E CA -0.256 56.230 56.400 0.143 0.000 1.161 501 E CB -0.859 28.908 29.700 0.112 0.000 1.137 501 E HN 0.041 nan 8.360 nan 0.000 0.510 502 N N 2.580 121.428 118.700 0.247 0.000 2.374 502 N HA -0.107 4.633 4.740 -0.000 0.000 0.269 502 N C 0.497 176.151 175.510 0.240 0.000 1.310 502 N CA 0.245 53.480 53.050 0.308 0.000 0.877 502 N CB 0.640 39.288 38.487 0.267 0.000 1.096 502 N HN 0.090 nan 8.380 nan 0.000 0.484 503 Q N 2.842 122.802 119.800 0.267 0.000 2.368 503 Q HA -0.105 4.235 4.340 -0.000 0.000 0.210 503 Q C 1.095 177.271 176.000 0.293 0.000 0.982 503 Q CA 1.048 57.031 55.803 0.299 0.000 0.884 503 Q CB 0.170 29.150 28.738 0.402 0.000 0.933 503 Q HN 0.666 nan 8.270 nan 0.000 0.460 504 I N -0.539 120.077 120.570 0.077 0.000 3.284 504 I HA -0.146 4.024 4.170 -0.000 0.000 0.231 504 I C 1.908 178.034 176.117 0.015 0.000 1.041 504 I CA 0.484 61.762 61.300 -0.037 0.000 1.478 504 I CB -0.841 36.985 38.000 -0.290 0.000 1.340 504 I HN 0.019 nan 8.210 nan 0.000 0.449 505 L N 1.170 122.413 121.223 0.033 0.000 2.683 505 L HA -0.178 4.162 4.340 -0.000 0.000 0.236 505 L C 1.327 178.260 176.870 0.105 0.000 1.179 505 L CA 0.115 55.031 54.840 0.126 0.000 0.822 505 L CB -1.463 40.864 42.059 0.447 0.000 0.952 505 L HN 0.276 nan 8.230 nan 0.000 0.455 506 A N 0.745 123.638 122.820 0.121 0.000 2.407 506 A HA 0.083 4.403 4.320 -0.000 0.000 0.257 506 A C 0.832 178.439 177.584 0.038 0.000 1.131 506 A CA -0.085 52.010 52.037 0.096 0.000 0.803 506 A CB 0.040 19.114 19.000 0.122 0.000 1.083 506 A HN 0.357 nan 8.150 nan 0.000 0.512 507 R N 0.440 120.958 120.500 0.030 0.000 2.216 507 R HA 0.322 4.662 4.340 -0.000 0.000 0.332 507 R C -2.605 173.701 176.300 0.009 0.000 1.056 507 R CA -1.556 54.552 56.100 0.014 0.000 0.901 507 R CB 0.120 30.434 30.300 0.024 0.000 1.039 507 R HN 0.395 nan 8.270 nan 0.000 0.456 508 P HA -0.028 nan 4.420 nan 0.000 0.266 508 P C -2.493 174.787 177.300 -0.033 0.000 1.186 508 P CA -0.542 62.548 63.100 -0.017 0.000 0.767 508 P CB 0.134 31.823 31.700 -0.017 0.000 0.820 509 P HA 0.135 nan 4.420 nan 0.000 0.271 509 P C -0.752 176.522 177.300 -0.044 0.000 1.218 509 P CA -0.001 63.080 63.100 -0.030 0.000 0.780 509 P CB 0.448 32.134 31.700 -0.023 0.000 0.901 510 A N 4.876 127.669 122.820 -0.045 0.000 2.409 510 A HA 0.477 4.797 4.320 -0.000 0.000 0.262 510 A C -2.081 175.465 177.584 -0.063 0.000 1.113 510 A CA -1.340 50.658 52.037 -0.066 0.000 0.790 510 A CB -0.587 18.372 19.000 -0.068 0.000 1.046 510 A HN 0.407 nan 8.150 nan 0.000 0.496 511 P HA 0.248 nan 4.420 nan 0.000 0.282 511 P C -0.105 177.125 177.300 -0.116 0.000 1.249 511 P CA -0.116 62.937 63.100 -0.077 0.000 0.806 511 P CB 0.949 32.605 31.700 -0.074 0.000 0.984 512 T N -0.276 114.187 114.554 -0.151 0.000 2.919 512 T HA 0.351 4.701 4.350 -0.000 0.000 0.302 512 T C 0.524 175.113 174.700 -0.184 0.000 1.031 512 T CA -0.304 61.623 62.100 -0.289 0.000 1.127 512 T CB -0.484 68.161 68.868 -0.372 0.000 0.952 512 T HN 0.328 nan 8.240 nan 0.000 0.540 513 I N 0.975 121.442 120.570 -0.172 0.000 6.568 513 I HA -0.158 4.012 4.170 -0.000 0.000 0.126 513 I C 0.765 176.887 176.117 0.008 0.000 1.827 513 I CA 0.581 61.877 61.300 -0.007 0.000 2.037 513 I CB -2.205 35.811 38.000 0.028 0.000 3.509 513 I HN 1.126 nan 8.210 nan 0.000 0.169 514 T N 0.796 115.379 114.554 0.049 0.000 2.918 514 T HA 0.857 5.207 4.350 -0.000 0.000 0.283 514 T C 0.336 175.117 174.700 0.136 0.000 1.001 514 T CA -0.608 61.520 62.100 0.047 0.000 1.041 514 T CB 1.890 70.765 68.868 0.012 0.000 1.028 514 T HN 0.422 nan 8.240 nan 0.000 0.511 515 T N 0.895 115.504 114.554 0.092 0.000 2.912 515 T HA 0.674 5.024 4.350 -0.000 0.000 0.288 515 T C -0.852 173.932 174.700 0.140 0.000 1.030 515 T CA -0.702 61.471 62.100 0.121 0.000 1.020 515 T CB 1.615 70.511 68.868 0.047 0.000 1.056 515 T HN 0.614 nan 8.240 nan 0.000 0.480 516 V N 2.179 122.208 119.914 0.193 0.000 2.711 516 V HA 0.418 4.538 4.120 -0.000 0.000 0.304 516 V C 0.069 176.286 176.094 0.205 0.000 1.097 516 V CA -1.168 61.251 62.300 0.198 0.000 0.906 516 V CB 2.182 34.125 31.823 0.200 0.000 1.015 516 V HN 1.118 nan 8.190 nan 0.000 0.427 517 S N 3.322 119.164 115.700 0.236 0.000 2.549 517 S HA 0.444 4.914 4.470 -0.000 0.000 0.283 517 S C -0.368 174.361 174.600 0.216 0.000 1.320 517 S CA -0.151 58.179 58.200 0.217 0.000 1.058 517 S CB 1.038 64.364 63.200 0.210 0.000 0.882 517 S HN 0.883 nan 8.310 nan 0.000 0.498 518 E N 2.321 122.618 120.200 0.162 0.000 2.275 518 E HA 0.238 4.588 4.350 -0.000 0.000 0.270 518 E C -1.084 175.572 176.600 0.094 0.000 0.882 518 E CA -0.712 55.754 56.400 0.109 0.000 0.758 518 E CB 1.070 30.836 29.700 0.110 0.000 1.195 518 E HN 0.764 nan 8.360 nan 0.000 0.419 519 N N 2.313 121.061 118.700 0.080 0.000 2.529 519 N HA 0.277 5.017 4.740 -0.000 0.000 0.278 519 N C -1.280 174.297 175.510 0.112 0.000 1.146 519 N CA -0.000 53.106 53.050 0.094 0.000 0.980 519 N CB 1.895 40.431 38.487 0.081 0.000 1.124 519 N HN 0.253 nan 8.380 nan 0.000 0.458 520 V N 4.250 124.223 119.914 0.097 0.000 2.808 520 V HA 0.436 4.556 4.120 -0.000 0.000 0.308 520 V C -2.371 173.781 176.094 0.096 0.000 1.099 520 V CA -1.900 60.422 62.300 0.036 0.000 0.920 520 V CB 2.561 34.274 31.823 -0.183 0.000 1.014 520 V HN 0.545 nan 8.190 nan 0.000 0.425 521 P HA 0.291 nan 4.420 nan 0.000 0.268 521 P C -0.959 176.344 177.300 0.005 0.000 1.205 521 P CA -0.092 62.961 63.100 -0.079 0.000 0.771 521 P CB 1.320 32.828 31.700 -0.322 0.000 0.858 522 A N 4.600 127.468 122.820 0.079 0.000 2.323 522 A HA 0.417 4.737 4.320 -0.000 0.000 0.305 522 A C 0.042 177.679 177.584 0.089 0.000 1.275 522 A CA -0.751 51.337 52.037 0.085 0.000 0.804 522 A CB 0.166 19.247 19.000 0.135 0.000 1.152 522 A HN 0.525 nan 8.150 nan 0.000 0.487 523 L N 3.296 124.546 121.223 0.045 0.000 2.387 523 L HA 0.185 4.525 4.340 -0.000 0.000 0.267 523 L C 1.016 177.890 176.870 0.007 0.000 1.197 523 L CA -0.052 54.805 54.840 0.027 0.000 1.070 523 L CB 0.233 42.296 42.059 0.007 0.000 1.349 523 L HN 0.796 nan 8.230 nan 0.000 0.422 524 T N 0.735 115.293 114.554 0.007 0.000 2.824 524 T HA 0.183 4.533 4.350 -0.000 0.000 0.277 524 T C -0.606 173.976 174.700 -0.196 0.000 0.975 524 T CA -0.415 61.635 62.100 -0.083 0.000 0.966 524 T CB 1.126 69.957 68.868 -0.063 0.000 1.054 524 T HN 0.511 nan 8.240 nan 0.000 0.533 525 D N 0.817 121.011 120.400 -0.344 0.000 2.613 525 D HA 0.179 4.819 4.640 -0.000 0.000 0.230 525 D C -0.840 175.207 176.300 -0.422 0.000 1.365 525 D CA -0.411 53.402 54.000 -0.313 0.000 0.976 525 D CB 0.681 41.393 40.800 -0.148 0.000 1.415 525 D HN 0.600 nan 8.370 nan 0.000 0.589 526 H N 1.057 120.067 119.070 -0.100 0.000 2.505 526 H HA 0.504 5.060 4.556 -0.000 0.000 0.358 526 H C 0.964 176.248 175.328 -0.072 0.000 1.304 526 H CA -0.338 55.656 56.048 -0.091 0.000 1.393 526 H CB 1.089 30.763 29.762 -0.148 0.000 1.591 526 H HN 0.439 nan 8.280 nan 0.000 0.595 527 G N -0.352 108.487 108.800 0.065 0.000 2.535 527 G HA2 0.213 4.173 3.960 -0.000 0.000 0.282 527 G HA3 0.213 4.173 3.960 -0.000 0.000 0.282 527 G C -0.322 174.586 174.900 0.012 0.000 1.350 527 G CA -0.504 44.608 45.100 0.020 0.000 1.039 527 G HN 0.623 nan 8.290 nan 0.000 0.509 528 T N -0.940 113.617 114.554 0.005 0.000 2.901 528 T HA 0.519 4.869 4.350 -0.000 0.000 0.301 528 T C 0.019 174.722 174.700 0.005 0.000 1.012 528 T CA -0.195 61.908 62.100 0.005 0.000 1.135 528 T CB 0.660 69.534 68.868 0.009 0.000 0.936 528 T HN 0.283 nan 8.240 nan 0.000 0.539 529 L N 3.446 124.669 121.223 0.000 0.000 2.354 529 L HA 0.527 4.867 4.340 -0.000 0.000 0.264 529 L C -2.485 174.393 176.870 0.012 0.000 1.008 529 L CA -3.051 51.787 54.840 -0.004 0.000 0.819 529 L CB 2.462 44.502 42.059 -0.032 0.000 1.339 529 L HN 0.403 nan 8.230 nan 0.000 0.420 530 P HA 0.231 nan 4.420 nan 0.000 0.269 530 P C -1.031 176.292 177.300 0.039 0.000 1.209 530 P CA 0.035 63.159 63.100 0.039 0.000 0.776 530 P CB 0.608 32.320 31.700 0.019 0.000 0.876 531 L N 2.088 123.360 121.223 0.081 0.000 2.286 531 L HA 0.559 4.899 4.340 -0.000 0.000 0.265 531 L C 0.813 177.719 176.870 0.060 0.000 1.012 531 L CA -1.153 53.716 54.840 0.048 0.000 0.818 531 L CB 1.434 43.518 42.059 0.043 0.000 1.337 531 L HN 0.208 nan 8.230 nan 0.000 0.438 532 R N 0.464 120.971 120.500 0.012 0.000 2.459 532 R HA 0.209 4.549 4.340 -0.000 0.000 0.281 532 R C -0.098 176.200 176.300 -0.004 0.000 1.050 532 R CA -0.601 55.510 56.100 0.018 0.000 1.055 532 R CB 0.589 30.883 30.300 -0.009 0.000 1.045 532 R HN 0.493 nan 8.270 nan 0.000 0.495 533 N N -0.100 118.614 118.700 0.024 0.000 2.515 533 N HA -0.065 4.675 4.740 -0.000 0.000 0.191 533 N C -0.652 174.813 175.510 -0.075 0.000 1.182 533 N CA 0.288 53.323 53.050 -0.026 0.000 0.879 533 N CB 0.385 38.909 38.487 0.062 0.000 0.984 533 N HN 0.447 nan 8.380 nan 0.000 0.453 534 S N -0.242 115.423 115.700 -0.058 0.000 2.620 534 S HA 0.418 4.888 4.470 -0.000 0.000 0.244 534 S C -0.569 173.995 174.600 -0.060 0.000 1.192 534 S CA -0.842 57.324 58.200 -0.057 0.000 1.148 534 S CB 0.179 63.361 63.200 -0.030 0.000 1.106 534 S HN 0.035 nan 8.310 nan 0.000 0.474 535 I N 3.158 123.680 120.570 -0.080 0.000 2.337 535 I HA 0.389 4.559 4.170 -0.000 0.000 0.291 535 I C 1.296 177.378 176.117 -0.059 0.000 1.046 535 I CA -0.393 60.860 61.300 -0.078 0.000 1.324 535 I CB 0.724 38.661 38.000 -0.105 0.000 1.409 535 I HN 0.842 nan 8.210 nan 0.000 0.494 536 G N 3.932 112.700 108.800 -0.053 0.000 2.554 536 G HA2 0.177 4.137 3.960 -0.000 0.000 0.238 536 G HA3 0.177 4.137 3.960 -0.000 0.000 0.238 536 G C 1.092 175.968 174.900 -0.040 0.000 1.259 536 G CA 0.000 45.075 45.100 -0.041 0.000 0.843 536 G HN 0.884 nan 8.290 nan 0.000 0.582 537 G N -0.327 108.457 108.800 -0.027 0.000 2.442 537 G HA2 0.078 4.038 3.960 -0.000 0.000 0.219 537 G HA3 0.078 4.038 3.960 -0.000 0.000 0.219 537 G C 0.802 175.688 174.900 -0.024 0.000 1.141 537 G CA 1.489 46.576 45.100 -0.022 0.000 0.763 537 G HN 1.430 nan 8.290 nan 0.000 0.554 538 V N -2.247 117.653 119.914 -0.024 0.000 2.409 538 V HA 0.662 4.782 4.120 -0.000 0.000 0.291 538 V C -1.035 175.029 176.094 -0.050 0.000 1.020 538 V CA -1.274 61.011 62.300 -0.024 0.000 0.848 538 V CB 1.769 33.587 31.823 -0.008 0.000 0.990 538 V HN 0.036 nan 8.190 nan 0.000 0.430 539 Q N 3.119 122.879 119.800 -0.068 0.000 2.257 539 Q HA 0.564 4.904 4.340 -0.000 0.000 0.262 539 Q C -0.700 175.206 176.000 -0.156 0.000 0.997 539 Q CA -0.580 55.156 55.803 -0.112 0.000 0.873 539 Q CB 2.795 31.464 28.738 -0.115 0.000 1.312 539 Q HN 0.931 nan 8.270 nan 0.000 0.450 540 R N 0.654 121.031 120.500 -0.206 0.000 2.387 540 R HA 0.548 4.888 4.340 -0.000 0.000 0.314 540 R C -1.194 174.900 176.300 -0.343 0.000 0.958 540 R CA -0.348 55.595 56.100 -0.262 0.000 0.846 540 R CB 0.951 31.113 30.300 -0.231 0.000 1.147 540 R HN 0.334 nan 8.270 nan 0.000 0.447 541 V N 3.440 123.048 119.914 -0.509 0.000 2.547 541 V HA 0.525 4.645 4.120 -0.000 0.000 0.299 541 V C -0.337 175.576 176.094 -0.301 0.000 1.040 541 V CA -0.410 61.612 62.300 -0.463 0.000 0.913 541 V CB 2.076 33.426 31.823 -0.789 0.000 0.992 541 V HN 0.857 nan 8.190 nan 0.000 0.449 542 T N 5.433 119.939 114.554 -0.079 0.000 3.293 542 T HA 0.504 4.854 4.350 -0.000 0.000 0.320 542 T C -0.726 173.968 174.700 -0.009 0.000 0.995 542 T CA -0.186 61.920 62.100 0.011 0.000 1.041 542 T CB 0.700 69.642 68.868 0.124 0.000 1.058 542 T HN 0.386 nan 8.240 nan 0.000 0.453 543 I N 3.615 124.124 120.570 -0.103 0.000 2.321 543 I HA 0.440 4.610 4.170 -0.000 0.000 0.291 543 I C 0.513 176.562 176.117 -0.113 0.000 0.998 543 I CA -0.435 60.706 61.300 -0.264 0.000 1.227 543 I CB 1.621 39.338 38.000 -0.471 0.000 1.368 543 I HN 0.507 nan 8.210 nan 0.000 0.466 544 T N 3.681 118.190 114.554 -0.076 0.000 2.940 544 T HA 0.375 4.725 4.350 -0.000 0.000 0.288 544 T C -0.549 174.105 174.700 -0.076 0.000 1.045 544 T CA -0.746 61.323 62.100 -0.052 0.000 1.018 544 T CB 1.990 70.828 68.868 -0.050 0.000 1.151 544 T HN 0.661 nan 8.240 nan 0.000 0.529 545 D N -0.597 119.755 120.400 -0.080 0.000 2.506 545 D HA 0.500 5.140 4.640 -0.000 0.000 0.254 545 D C 1.480 177.635 176.300 -0.243 0.000 1.089 545 D CA -0.546 53.405 54.000 -0.083 0.000 1.050 545 D CB 1.121 41.950 40.800 0.049 0.000 1.221 545 D HN 0.503 nan 8.370 nan 0.000 0.589 546 A N 0.476 123.188 122.820 -0.181 0.000 1.915 546 A HA -0.267 4.053 4.320 -0.000 0.000 0.220 546 A C 2.056 179.530 177.584 -0.183 0.000 1.198 546 A CA 1.778 53.700 52.037 -0.191 0.000 0.647 546 A CB -0.708 18.261 19.000 -0.053 0.000 0.825 546 A HN 0.643 nan 8.150 nan 0.000 0.456 547 R N -1.891 118.535 120.500 -0.123 0.000 2.310 547 R HA 0.120 4.460 4.340 -0.000 0.000 0.202 547 R C -0.416 175.841 176.300 -0.072 0.000 0.933 547 R CA -0.063 55.994 56.100 -0.072 0.000 1.054 547 R CB 0.226 30.498 30.300 -0.048 0.000 0.985 547 R HN 0.299 nan 8.270 nan 0.000 0.489 548 R N 1.167 121.594 120.500 -0.122 0.000 2.598 548 R HA -0.127 4.213 4.340 -0.000 0.000 0.323 548 R C -1.046 175.230 176.300 -0.039 0.000 0.993 548 R CA 0.696 56.737 56.100 -0.098 0.000 0.724 548 R CB -1.698 28.558 30.300 -0.074 0.000 2.060 548 R HN 0.629 nan 8.270 nan 0.000 0.470 549 R N -2.065 118.426 120.500 -0.014 0.000 2.644 549 R HA 0.291 4.631 4.340 -0.000 0.000 0.257 549 R C -0.214 176.095 176.300 0.015 0.000 1.082 549 R CA -0.517 55.593 56.100 0.015 0.000 0.927 549 R CB 0.593 30.935 30.300 0.070 0.000 1.258 549 R HN 0.253 nan 8.270 nan 0.000 0.459 550 T N -1.011 113.529 114.554 -0.023 0.000 2.854 550 T HA -0.005 4.345 4.350 -0.000 0.000 0.336 550 T C 0.298 174.924 174.700 -0.124 0.000 1.095 550 T CA -0.230 61.838 62.100 -0.054 0.000 1.118 550 T CB 0.675 69.504 68.868 -0.066 0.000 1.025 550 T HN 0.708 nan 8.240 nan 0.000 0.549 551 C N 5.683 124.903 119.300 -0.134 0.000 2.291 551 C HA 0.553 5.013 4.460 -0.000 0.000 0.322 551 C C -1.278 173.549 174.990 -0.271 0.000 1.205 551 C CA -1.852 57.036 59.018 -0.217 0.000 1.495 551 C CB 0.148 27.907 27.740 0.032 0.000 2.127 551 C HN 0.807 nan 8.230 nan 0.000 0.452 552 P HA -0.143 nan 4.420 nan 0.000 0.218 552 P C 0.200 177.193 177.300 -0.511 0.000 1.146 552 P CA 1.563 64.343 63.100 -0.534 0.000 0.820 552 P CB -0.108 31.137 31.700 -0.758 0.000 0.778 553 Y N -1.500 118.704 120.300 -0.160 0.000 2.471 553 Y HA 0.105 4.655 4.550 -0.000 0.000 0.321 553 Y C 0.675 176.560 175.900 -0.025 0.000 1.195 553 Y CA -0.375 57.688 58.100 -0.062 0.000 1.272 553 Y CB -0.598 37.859 38.460 -0.005 0.000 1.097 553 Y HN -0.256 nan 8.280 nan 0.000 0.507 554 V N 0.652 120.590 119.914 0.040 0.000 2.383 554 V HA -0.016 4.104 4.120 -0.000 0.000 0.275 554 V C 0.451 176.626 176.094 0.134 0.000 1.036 554 V CA -0.614 61.733 62.300 0.078 0.000 0.889 554 V CB 0.769 32.622 31.823 0.049 0.000 0.985 554 V HN 0.331 nan 8.190 nan 0.000 0.459 555 Y N 4.767 125.097 120.300 0.048 0.000 2.479 555 Y HA 0.429 4.979 4.550 -0.000 0.000 0.283 555 Y C 0.702 176.763 175.900 0.268 0.000 1.109 555 Y CA 0.345 58.525 58.100 0.132 0.000 1.239 555 Y CB 0.461 38.914 38.460 -0.010 0.000 1.108 555 Y HN 0.510 nan 8.280 nan 0.000 0.548 556 K N 1.272 121.544 120.400 -0.215 0.000 2.535 556 K HA 0.703 5.023 4.320 -0.000 0.000 0.251 556 K C -1.983 174.559 176.600 -0.096 0.000 0.942 556 K CA -0.341 55.714 56.287 -0.387 0.000 0.798 556 K CB 1.672 33.889 32.500 -0.470 0.000 1.267 556 K HN 0.166 nan 8.250 nan 0.000 0.434 557 A N 3.526 126.278 122.820 -0.113 0.000 2.455 557 A HA 0.847 5.167 4.320 -0.000 0.000 0.300 557 A C -1.832 175.876 177.584 0.207 0.000 1.040 557 A CA -0.611 51.522 52.037 0.161 0.000 0.697 557 A CB 0.709 19.835 19.000 0.210 0.000 1.265 557 A HN 0.958 nan 8.150 nan 0.000 0.407 558 L N -0.790 120.617 121.223 0.307 0.000 2.672 558 L HA 0.964 5.304 4.340 -0.000 0.000 0.256 558 L C -0.369 176.596 176.870 0.158 0.000 0.946 558 L CA 0.004 54.981 54.840 0.229 0.000 0.889 558 L CB 1.168 43.288 42.059 0.103 0.000 1.441 558 L HN 1.353 nan 8.230 nan 0.000 0.418 559 G N 1.154 110.010 108.800 0.094 0.000 2.672 559 G HA2 0.818 4.778 3.960 -0.000 0.000 0.292 559 G HA3 0.818 4.778 3.960 -0.000 0.000 0.292 559 G C -1.623 173.285 174.900 0.012 0.000 1.375 559 G CA -0.853 44.234 45.100 -0.020 0.000 0.890 559 G HN 0.721 nan 8.290 nan 0.000 0.476 560 I N 0.808 121.360 120.570 -0.029 0.000 2.436 560 I HA 0.409 4.579 4.170 -0.000 0.000 0.289 560 I C -0.569 175.471 176.117 -0.128 0.000 1.010 560 I CA -0.975 60.290 61.300 -0.058 0.000 1.098 560 I CB 2.184 40.179 38.000 -0.009 0.000 1.266 560 I HN 0.064 nan 8.210 nan 0.000 0.434 561 V N 4.582 124.385 119.914 -0.185 0.000 2.555 561 V HA 0.442 4.562 4.120 -0.000 0.000 0.302 561 V C -0.189 175.800 176.094 -0.174 0.000 1.038 561 V CA -0.506 61.701 62.300 -0.156 0.000 0.887 561 V CB 1.960 33.698 31.823 -0.141 0.000 0.991 561 V HN 0.806 nan 8.190 nan 0.000 0.434 562 S N 5.792 121.427 115.700 -0.109 0.000 2.542 562 S HA 0.433 4.903 4.470 -0.000 0.000 0.245 562 S C -2.581 172.012 174.600 -0.012 0.000 1.325 562 S CA -1.218 56.933 58.200 -0.081 0.000 1.176 562 S CB 1.083 64.246 63.200 -0.062 0.000 1.045 562 S HN 0.636 nan 8.310 nan 0.000 0.481 563 P HA 0.327 nan 4.420 nan 0.000 0.272 563 P C -0.515 176.952 177.300 0.279 0.000 1.230 563 P CA -0.360 62.815 63.100 0.125 0.000 0.788 563 P CB 0.600 32.309 31.700 0.014 0.000 0.949 564 R N -0.601 120.158 120.500 0.432 0.000 2.687 564 R HA 0.421 4.761 4.340 -0.000 0.000 0.265 564 R C -1.294 175.017 176.300 0.017 0.000 1.048 564 R CA -1.003 55.271 56.100 0.290 0.000 0.884 564 R CB 0.042 30.407 30.300 0.108 0.000 1.258 564 R HN 0.089 nan 8.270 nan 0.000 0.469 565 V N 2.652 122.306 119.914 -0.434 0.000 2.999 565 V HA 0.035 4.155 4.120 -0.000 0.000 0.307 565 V C 1.064 176.975 176.094 -0.305 0.000 1.084 565 V CA 0.322 62.216 62.300 -0.676 0.000 1.155 565 V CB 0.670 32.095 31.823 -0.662 0.000 0.975 565 V HN 0.720 nan 8.190 nan 0.000 0.490 566 L N 1.781 122.843 121.223 -0.268 0.000 3.017 566 L HA 0.311 4.651 4.340 -0.000 0.000 0.265 566 L C 0.475 177.292 176.870 -0.089 0.000 1.128 566 L CA 0.630 55.399 54.840 -0.118 0.000 0.984 566 L CB 0.929 42.965 42.059 -0.040 0.000 1.464 566 L HN 0.921 nan 8.230 nan 0.000 0.556 567 S N -1.068 114.562 115.700 -0.115 0.000 2.690 567 S HA 0.376 4.846 4.470 -0.000 0.000 0.264 567 S C -0.956 173.574 174.600 -0.116 0.000 1.040 567 S CA -0.414 57.744 58.200 -0.071 0.000 0.869 567 S CB 0.971 64.183 63.200 0.020 0.000 1.132 567 S HN 0.052 nan 8.310 nan 0.000 0.474 568 S N 0.026 115.666 115.700 -0.100 0.000 2.677 568 S HA 0.846 5.316 4.470 -0.000 0.000 0.304 568 S C -0.309 174.199 174.600 -0.154 0.000 1.108 568 S CA -1.215 56.888 58.200 -0.162 0.000 0.944 568 S CB 1.357 64.478 63.200 -0.132 0.000 1.127 568 S HN 0.911 nan 8.310 nan 0.000 0.511 569 R N 0.000 120.375 120.500 -0.208 0.000 2.786 569 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 569 R CA 0.000 56.014 56.100 -0.144 0.000 0.921 569 R CB 0.000 30.187 30.300 -0.188 0.000 0.687 569 R HN 0.000 nan 8.270 nan 0.000 0.535