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_E 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 1.004 119.661 118.700 -0.071 0.000 2.550 53 N HA 0.023 4.763 4.740 -0.000 0.000 0.277 53 N C -0.813 174.854 175.510 0.263 0.000 1.595 53 N CA 0.125 53.207 53.050 0.053 0.000 0.888 53 N CB 0.697 39.132 38.487 -0.085 0.000 1.424 53 N HN 0.200 nan 8.380 nan 0.000 0.501 54 S N 0.622 116.458 115.700 0.227 0.000 2.625 54 S HA 0.652 5.122 4.470 -0.000 0.000 0.258 54 S C 0.377 175.171 174.600 0.324 0.000 1.256 54 S CA -0.315 58.086 58.200 0.337 0.000 0.983 54 S CB 0.863 64.213 63.200 0.250 0.000 1.032 54 S HN 0.309 nan 8.310 nan 0.000 0.572 55 I N 0.588 121.291 120.570 0.222 0.000 2.606 55 I HA 0.272 4.442 4.170 -0.000 0.000 0.275 55 I C -0.697 175.447 176.117 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 3.837 124.357 120.500 0.033 0.000 2.598 56 R HA 0.665 5.005 4.340 -0.000 0.000 0.279 56 R C -1.485 174.874 176.300 0.099 0.000 0.984 56 R CA -0.726 55.411 56.100 0.062 0.000 0.999 56 R CB 2.313 32.644 30.300 0.051 0.000 1.114 56 R HN 0.391 nan 8.270 nan 0.000 0.493 57 Y N 1.078 121.351 120.300 -0.046 0.000 2.470 57 Y HA 0.187 4.737 4.550 -0.000 0.000 0.341 57 Y C 0.779 176.650 175.900 -0.049 0.000 1.021 57 Y CA -0.327 57.737 58.100 -0.060 0.000 1.025 57 Y CB 1.577 39.999 38.460 -0.063 0.000 1.266 57 Y HN 0.837 nan 8.280 nan 0.000 0.448 58 S N 3.165 118.337 115.700 -0.880 0.000 4.116 58 S HA -0.379 4.091 4.470 -0.000 0.000 0.538 58 S C 0.416 174.792 174.600 -0.375 0.000 0.935 58 S CA 2.276 60.038 58.200 -0.729 0.000 3.405 58 S CB -1.124 61.423 63.200 -1.089 0.000 2.341 58 S HN 0.892 nan 8.310 nan 0.000 0.475 59 E N 1.012 121.023 120.200 -0.315 0.000 2.795 59 E HA 0.614 4.964 4.350 -0.000 0.000 0.226 59 E C -1.145 175.433 176.600 -0.037 0.000 1.088 59 E CA -0.245 56.084 56.400 -0.118 0.000 0.812 59 E CB 0.132 29.792 29.700 -0.066 0.000 1.328 59 E HN 0.465 nan 8.360 nan 0.000 0.410 60 L N 1.105 122.331 121.223 0.005 0.000 2.479 60 L HA 0.637 4.977 4.340 -0.000 0.000 0.255 60 L C -0.183 176.709 176.870 0.037 0.000 1.026 60 L CA -1.221 53.659 54.840 0.066 0.000 0.842 60 L CB 1.872 44.037 42.059 0.177 0.000 1.444 60 L HN 0.400 nan 8.230 nan 0.000 0.409 61 A N 1.783 124.612 122.820 0.015 0.000 2.561 61 A HA 0.377 4.697 4.320 -0.000 0.000 0.234 61 A C -2.382 175.176 177.584 -0.043 0.000 1.055 61 A CA -0.374 51.649 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 0.398 nan 4.420 nan 0.000 0.275 62 P C -0.765 176.352 177.300 -0.306 0.000 1.228 62 P CA -0.020 63.053 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 2.665 123.774 121.223 -0.190 0.000 2.330 63 L HA 0.572 4.912 4.340 -0.000 0.000 0.271 63 L C -0.233 176.639 176.870 0.004 0.000 1.013 63 L CA -0.685 53.991 54.840 -0.273 0.000 0.816 63 L CB 1.041 43.045 42.059 -0.092 0.000 1.287 63 L HN 0.324 nan 8.230 nan 0.000 0.435 64 F N -0.094 119.894 119.950 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 -0.848 57.211 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 -0.355 120.281 120.400 0.393 0.000 2.332 65 D HA -0.219 4.421 4.640 -0.000 0.000 0.166 65 D C 0.255 176.721 176.300 0.277 0.000 1.574 65 D CA 2.072 56.231 54.000 0.265 0.000 1.598 65 D CB -0.681 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 -2.445 112.248 114.554 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 0.670 62.869 62.100 0.165 0.000 0.999 66 T CB 1.532 70.470 68.868 0.117 0.000 1.854 66 T HN 0.353 nan 8.240 nan 0.000 0.513 67 T N 0.546 115.102 114.554 0.004 0.000 2.686 67 T HA 0.545 4.895 4.350 -0.000 0.000 0.289 67 T C -2.038 172.589 174.700 -0.122 0.000 1.783 67 T CA -0.558 61.511 62.100 -0.053 0.000 0.966 67 T CB 0.673 69.501 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 -1.096 174.904 176.300 -0.500 0.000 1.031 68 R CA -0.807 55.059 56.100 -0.392 0.000 0.904 68 R CB 2.122 32.088 30.300 -0.556 0.000 1.199 68 R HN 0.645 nan 8.270 nan 0.000 0.443 69 V N -0.036 119.605 119.914 -0.454 0.000 2.483 69 V HA 0.618 4.738 4.120 -0.000 0.000 0.295 69 V C -1.031 174.845 176.094 -0.364 0.000 1.035 69 V CA -0.823 61.288 62.300 -0.315 0.000 0.896 69 V CB 1.167 32.873 31.823 -0.196 0.000 0.986 69 V HN 0.591 nan 8.190 nan 0.000 0.447 70 Y N 3.991 124.254 120.300 -0.061 0.000 2.335 70 Y HA 0.679 5.229 4.550 -0.000 0.000 0.338 70 Y C -0.003 175.882 175.900 -0.025 0.000 0.977 70 Y CA -0.830 57.245 58.100 -0.041 0.000 1.114 70 Y CB 1.913 40.354 38.460 -0.032 0.000 1.182 70 Y HN 0.559 nan 8.280 nan 0.000 0.463 71 L N 5.184 126.490 121.223 0.138 0.000 2.262 71 L HA 0.663 5.003 4.340 -0.000 0.000 0.288 71 L C -0.689 176.285 176.870 0.174 0.000 1.035 71 L CA -0.783 54.123 54.840 0.109 0.000 0.820 71 L CB 1.057 43.145 42.059 0.048 0.000 1.204 71 L HN 0.450 nan 8.230 nan 0.000 0.424 72 V N 3.038 123.066 119.914 0.190 0.000 2.851 72 V HA 0.279 4.399 4.120 -0.000 0.000 0.307 72 V C -0.116 176.076 176.094 0.164 0.000 1.129 72 V CA -0.547 61.846 62.300 0.155 0.000 0.932 72 V CB 2.169 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 3.674 124.061 120.400 -0.021 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 -0.177 0.000 0.978 73 D CA 1.830 55.653 54.000 -0.295 0.000 0.829 73 D CB -0.509 39.676 40.800 -1.024 0.000 0.981 73 D HN 0.743 nan 8.370 nan 0.000 0.464 74 N N 0.864 119.454 118.700 -0.184 0.000 2.089 74 N HA -0.180 4.560 4.740 -0.000 0.000 0.198 74 N C 0.021 175.507 175.510 -0.040 0.000 1.017 74 N CA 1.094 54.081 53.050 -0.105 0.000 0.880 74 N CB -0.390 38.040 38.487 -0.096 0.000 1.042 74 N HN 0.181 nan 8.380 nan 0.000 0.446 75 K N 1.294 121.680 120.400 -0.022 0.000 2.490 75 K HA -0.148 4.172 4.320 -0.000 0.000 0.264 75 K C 0.767 177.374 176.600 0.012 0.000 1.027 75 K CA -0.067 56.220 56.287 -0.000 0.000 1.139 75 K CB 0.216 32.728 32.500 0.020 0.000 0.792 75 K HN 0.212 nan 8.250 nan 0.000 0.479 76 S N 1.981 117.688 115.700 0.011 0.000 2.368 76 S HA -0.182 4.288 4.470 -0.000 0.000 0.225 76 S C 2.182 176.800 174.600 0.030 0.000 1.030 76 S CA 1.923 60.135 58.200 0.020 0.000 0.999 76 S CB -0.291 62.918 63.200 0.015 0.000 0.844 76 S HN 0.878 nan 8.310 nan 0.000 0.459 77 T N 2.389 116.961 114.554 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 1.629 63.750 62.100 0.035 0.000 1.155 77 T CB -0.984 67.906 68.868 0.037 0.000 0.863 77 T HN 0.535 nan 8.240 nan 0.000 0.420 78 D N 1.718 122.149 120.400 0.053 0.000 2.144 78 D HA -0.098 4.542 4.640 -0.000 0.000 0.199 78 D C 2.199 178.549 176.300 0.083 0.000 0.984 78 D CA 0.960 55.001 54.000 0.068 0.000 0.834 78 D CB -1.066 39.782 40.800 0.079 0.000 0.955 78 D HN 0.419 nan 8.370 nan 0.000 0.465 79 V N 1.549 121.509 119.914 0.077 0.000 2.287 79 V HA -0.266 3.854 4.120 -0.000 0.000 0.248 79 V C 2.887 179.051 176.094 0.116 0.000 1.053 79 V CA 2.088 64.443 62.300 0.092 0.000 1.027 79 V CB -1.131 30.733 31.823 0.068 0.000 0.646 79 V HN 0.434 nan 8.190 nan 0.000 0.447 80 A N 0.687 123.559 122.820 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 3.173 55.256 52.037 0.076 0.000 0.630 80 A CB -1.058 17.968 19.000 0.043 0.000 0.839 80 A HN 0.681 nan 8.150 nan 0.000 0.447 81 S N 0.254 115.975 115.700 0.035 0.000 2.365 81 S HA 0.023 4.493 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 0.923 59.130 58.200 0.011 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 2.321 123.581 121.223 0.062 0.000 2.158 82 L HA -0.224 4.116 4.340 -0.000 0.000 0.249 82 L C 1.070 178.017 176.870 0.128 0.000 1.097 82 L CA 1.588 56.479 54.840 0.085 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 -0.923 117.872 118.700 0.158 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 0.455 53.617 53.050 0.187 0.000 0.896 83 N CB 1.333 39.935 38.487 0.191 0.000 1.118 83 N HN 0.496 nan 8.380 nan 0.000 0.438 84 Y N -0.414 119.912 120.300 0.045 0.000 2.980 84 Y HA -0.021 4.529 4.550 -0.000 0.000 0.142 84 Y C 0.600 176.508 175.900 0.013 0.000 0.999 84 Y CA 0.086 58.200 58.100 0.024 0.000 1.833 84 Y CB -0.090 38.382 38.460 0.021 0.000 1.290 84 Y HN 0.466 nan 8.280 nan 0.000 0.258 85 Q N 1.997 121.871 119.800 0.124 0.000 2.373 85 Q HA 0.167 4.507 4.340 -0.000 0.000 0.206 85 Q C -0.303 175.699 176.000 0.003 0.000 0.942 85 Q CA 0.168 55.977 55.803 0.010 0.000 0.953 85 Q CB 0.042 28.839 28.738 0.098 0.000 1.022 85 Q HN 0.307 nan 8.270 nan 0.000 0.502 86 N N 1.300 120.019 118.700 0.032 0.000 2.604 86 N HA 0.284 5.024 4.740 -0.000 0.000 0.297 86 N C -0.633 174.877 175.510 0.000 0.000 1.266 86 N CA -0.183 52.897 53.050 0.050 0.000 0.961 86 N CB 1.095 39.663 38.487 0.135 0.000 1.166 86 N HN 0.067 nan 8.380 nan 0.000 0.601 87 D N -3.280 117.138 120.400 0.031 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 -0.051 0.000 0.903 87 D CB 0.200 40.921 40.800 -0.132 0.000 1.408 87 D HN 0.414 nan 8.370 nan 0.000 0.454 88 H N -0.164 118.827 119.070 -0.132 0.000 4.757 88 H HA 0.300 4.856 4.556 -0.000 0.000 0.167 88 H C -0.033 175.297 175.328 0.003 0.000 1.205 88 H CA 0.127 56.061 56.048 -0.191 0.000 1.354 88 H CB 0.009 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 1.179 117.042 115.700 0.271 0.000 2.474 89 S HA -0.047 4.423 4.470 -0.000 0.000 0.223 89 S C -0.603 174.104 174.600 0.180 0.000 0.880 89 S CA -0.483 57.813 58.200 0.160 0.000 1.579 89 S CB 0.194 63.408 63.200 0.023 0.000 1.264 89 S HN 0.548 nan 8.310 nan 0.000 0.616 90 N N 1.116 120.002 118.700 0.309 0.000 3.151 90 N HA 0.352 5.092 4.740 -0.000 0.000 0.219 90 N C -1.046 174.648 175.510 0.308 0.000 1.434 90 N CA -0.283 52.890 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 0.387 nan 8.380 nan 0.000 0.612 91 F N 0.302 120.286 119.950 0.056 0.000 2.664 91 F HA 0.746 5.273 4.527 -0.000 0.000 0.317 91 F C -1.341 174.485 175.800 0.044 0.000 1.108 91 F CA -1.120 56.915 58.000 0.057 0.000 0.957 91 F CB 1.317 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 0.916 122.255 121.223 0.194 0.000 2.332 92 L HA 0.838 5.178 4.340 -0.000 0.000 0.269 92 L C -0.378 176.592 176.870 0.167 0.000 1.016 92 L CA -0.863 54.009 54.840 0.053 0.000 0.809 92 L CB 2.084 44.184 42.059 0.069 0.000 1.280 92 L HN 0.938 nan 8.230 nan 0.000 0.447 93 T N -0.441 114.157 114.554 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 1.275 115.859 114.554 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 1.231 70.117 68.868 0.029 0.000 0.941 94 T HN 0.369 nan 8.240 nan 0.000 0.487 95 V N 3.202 123.109 119.914 -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 0.031 62.318 62.300 -0.022 0.000 1.133 95 V CB -0.818 30.973 31.823 -0.053 0.000 0.802 95 V HN 0.804 nan 8.190 nan 0.000 0.459 96 I N 0.164 120.697 120.570 -0.062 0.000 2.113 96 I HA -0.279 3.891 4.170 -0.000 0.000 0.242 96 I C 1.794 177.845 176.117 -0.109 0.000 1.064 96 I CA 1.443 62.675 61.300 -0.113 0.000 1.320 96 I CB -0.974 36.997 38.000 -0.047 0.000 1.028 96 I HN 0.420 nan 8.210 nan 0.000 0.406 97 Q N -0.137 119.644 119.800 -0.032 0.000 2.452 97 Q HA -0.255 4.085 4.340 -0.000 0.000 0.248 97 Q C 0.250 176.245 176.000 -0.008 0.000 0.874 97 Q CA 0.853 56.646 55.803 -0.017 0.000 1.208 97 Q CB -2.733 25.999 28.738 -0.011 0.000 1.569 97 Q HN 0.816 nan 8.270 nan 0.000 0.579 98 N N 0.614 119.331 118.700 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 53.001 53.050 0.104 0.000 0.933 98 N CB 0.541 39.159 38.487 0.219 0.000 1.137 98 N HN 0.100 nan 8.380 nan 0.000 0.498 99 N N 3.648 122.402 118.700 0.090 0.000 2.133 99 N HA -0.194 4.546 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 1.510 54.598 53.050 0.063 0.000 0.871 99 N CB -0.023 38.484 38.487 0.033 0.000 1.011 99 N HN 0.673 nan 8.380 nan 0.000 0.435 100 D N -0.588 119.854 120.400 0.071 0.000 2.398 100 D HA 0.074 4.714 4.640 -0.000 0.000 0.264 100 D C -0.082 176.262 176.300 0.073 0.000 1.263 100 D CA 0.056 54.019 54.000 -0.062 0.000 1.037 100 D CB -0.010 40.597 40.800 -0.321 0.000 1.101 100 D HN 0.212 nan 8.370 nan 0.000 0.551 101 Y N -1.069 119.249 120.300 0.030 0.000 2.611 101 Y HA -0.230 4.320 4.550 -0.000 0.000 0.032 101 Y C 0.490 176.406 175.900 0.027 0.000 1.807 101 Y CA -0.379 57.740 58.100 0.032 0.000 1.343 101 Y CB -1.326 37.166 38.460 0.052 0.000 1.994 101 Y HN 0.168 nan 8.280 nan 0.000 0.270 102 S N 4.987 120.786 115.700 0.164 0.000 2.533 102 S HA 0.371 4.841 4.470 -0.000 0.000 0.282 102 S C -2.098 172.564 174.600 0.103 0.000 1.304 102 S CA -1.224 57.037 58.200 0.100 0.000 1.063 102 S CB 1.190 64.430 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 1.256 178.588 177.300 0.054 0.000 1.211 103 P CA 1.127 64.266 63.100 0.064 0.000 0.781 103 P CB 0.063 31.795 31.700 0.053 0.000 0.877 104 G N 1.774 110.600 108.800 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 45.668 45.100 0.034 0.000 0.905 104 G HN 0.611 nan 8.290 nan 0.000 0.589 105 E N 1.772 122.005 120.200 0.056 0.000 2.265 105 E HA 0.201 4.551 4.350 -0.000 0.000 0.196 105 E C 2.639 179.266 176.600 0.046 0.000 0.996 105 E CA 1.728 58.168 56.400 0.068 0.000 0.832 105 E CB -0.345 29.428 29.700 0.121 0.000 0.756 105 E HN 0.895 nan 8.360 nan 0.000 0.491 106 A N 0.777 123.625 122.820 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 1.554 53.593 52.037 0.003 0.000 0.614 106 A CB -0.988 18.033 19.000 0.035 0.000 0.826 106 A HN 0.382 nan 8.150 nan 0.000 0.442 107 S N -0.417 115.286 115.700 0.005 0.000 2.428 107 S HA -0.229 4.241 4.470 -0.000 0.000 0.240 107 S C 1.870 176.464 174.600 -0.011 0.000 1.036 107 S CA 2.517 60.716 58.200 -0.001 0.000 1.009 107 S CB -0.831 62.373 63.200 0.007 0.000 0.803 107 S HN 0.605 nan 8.310 nan 0.000 0.486 108 T N 1.756 116.301 114.554 -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 0.911 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 -0.064 0.000 2.700 109 Q HA 0.311 4.651 4.340 -0.000 0.000 0.232 109 Q C 0.107 176.105 176.000 -0.004 0.000 1.110 109 Q CA 0.273 56.038 55.803 -0.062 0.000 1.026 109 Q CB 0.392 29.089 28.738 -0.067 0.000 1.311 109 Q HN 0.509 nan 8.270 nan 0.000 0.583 110 T N -2.711 111.862 114.554 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 -0.818 61.301 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 0.407 nan 8.240 nan 0.000 0.485 111 I N 3.065 123.650 120.570 0.024 0.000 2.325 111 I HA 0.314 4.484 4.170 -0.000 0.000 0.291 111 I C -0.239 175.837 176.117 -0.068 0.000 1.019 111 I CA -0.864 60.433 61.300 -0.005 0.000 1.302 111 I CB 0.745 38.687 38.000 -0.097 0.000 1.401 111 I HN 0.560 nan 8.210 nan 0.000 0.485 112 N N 8.339 127.000 118.700 -0.065 0.000 2.444 112 N HA 0.420 5.160 4.740 -0.000 0.000 0.262 112 N C -0.760 174.627 175.510 -0.204 0.000 0.974 112 N CA -0.478 52.508 53.050 -0.107 0.000 0.933 112 N CB 2.193 40.651 38.487 -0.049 0.000 1.137 112 N HN 0.421 nan 8.380 nan 0.000 0.498 113 L N 1.120 122.127 121.223 -0.360 0.000 2.276 113 L HA 0.185 4.525 4.340 -0.000 0.000 0.286 113 L C 0.848 177.584 176.870 -0.224 0.000 1.061 113 L CA -0.838 53.555 54.840 -0.746 0.000 0.807 113 L CB 0.582 41.681 42.059 -1.600 0.000 1.177 113 L HN 0.370 nan 8.230 nan 0.000 0.429 114 D N 2.428 122.894 120.400 0.110 0.000 2.973 114 D HA -0.222 4.418 4.640 -0.000 0.000 0.214 114 D C 0.804 177.298 176.300 0.324 0.000 1.079 114 D CA 0.602 54.778 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 3.254 123.744 120.400 0.150 0.000 2.149 115 D HA -0.097 4.543 4.640 -0.000 0.000 0.201 115 D C 1.539 177.869 176.300 0.051 0.000 0.972 115 D CA 0.658 54.717 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 -0.069 120.448 120.500 0.029 0.000 2.377 116 R HA 0.046 4.386 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 0.315 56.387 56.100 -0.047 0.000 1.035 116 R CB 0.082 30.358 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 -0.961 173.488 174.600 -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 0.655 119.657 119.070 -0.113 0.000 2.668 118 H HA 0.254 4.810 4.556 -0.000 0.000 0.303 118 H C -0.920 174.368 175.328 -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 1.589 122.950 121.300 0.102 0.000 2.390 119 W HA 0.544 5.205 4.660 -0.000 0.000 0.362 119 W C 0.654 177.193 176.519 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 30.663 29.460 0.021 0.000 1.278 119 W HN 0.664 nan 8.180 nan 0.000 0.653 120 G N -0.787 108.191 108.800 0.297 0.000 2.692 120 G HA2 0.630 4.590 3.960 -0.000 0.000 0.291 120 G HA3 0.630 4.590 3.960 -0.000 0.000 0.291 120 G C -1.550 173.433 174.900 0.138 0.000 1.423 120 G CA -0.640 44.552 45.100 0.153 0.000 0.843 120 G HN 0.724 nan 8.290 nan 0.000 0.486 121 G N -0.225 108.612 108.800 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 -1.328 173.569 174.900 -0.004 0.000 1.391 121 G CA -0.646 44.472 45.100 0.029 0.000 0.990 121 G HN 0.432 nan 8.290 nan 0.000 0.501 122 D N 0.511 120.904 120.400 -0.013 0.000 2.350 122 D HA 0.253 4.893 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 0.103 54.089 54.000 -0.024 0.000 0.886 122 D CB 2.729 43.515 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 -0.647 176.193 176.870 -0.049 0.000 0.995 123 L CA -0.565 54.230 54.840 -0.077 0.000 0.864 123 L CB 0.685 42.670 42.059 -0.123 0.000 1.216 123 L HN 0.165 nan 8.230 nan 0.000 0.430 124 K N 2.603 122.960 120.400 -0.072 0.000 2.156 124 K HA 0.847 5.167 4.320 -0.000 0.000 0.254 124 K C -0.455 176.087 176.600 -0.097 0.000 0.950 124 K CA -0.671 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 -1.581 112.913 114.554 -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 0.060 0.000 1.084 125 T CA -0.958 61.084 62.100 -0.097 0.000 1.008 125 T CB 0.907 69.527 68.868 -0.413 0.000 1.170 125 T HN 0.508 nan 8.240 nan 0.000 0.509 126 I N 2.136 122.790 120.570 0.141 0.000 2.420 126 I HA 0.427 4.597 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 -0.895 60.501 61.300 0.158 0.000 1.130 126 I CB 1.544 39.598 38.000 0.090 0.000 1.262 126 I HN 0.476 nan 8.210 nan 0.000 0.454 127 L N 7.055 128.460 121.223 0.304 0.000 2.329 127 L HA 0.548 4.888 4.340 -0.000 0.000 0.279 127 L C -0.966 176.073 176.870 0.282 0.000 1.014 127 L CA -0.069 54.961 54.840 0.316 0.000 0.814 127 L CB 1.354 43.637 42.059 0.372 0.000 1.257 127 L HN 0.527 nan 8.230 nan 0.000 0.424 128 H N 2.946 122.088 119.070 0.121 0.000 3.017 128 H HA 0.475 5.031 4.556 -0.000 0.000 0.340 128 H C -1.046 174.385 175.328 0.172 0.000 1.014 128 H CA -0.132 55.998 56.048 0.136 0.000 1.341 128 H CB 1.426 31.282 29.762 0.157 0.000 1.739 128 H HN 0.844 nan 8.280 nan 0.000 0.506 129 T N 1.012 115.565 114.554 -0.001 0.000 2.780 129 T HA 0.332 4.682 4.350 -0.000 0.000 0.263 129 T C 0.229 174.825 174.700 -0.172 0.000 0.993 129 T CA -0.654 61.426 62.100 -0.035 0.000 1.010 129 T CB 1.077 69.996 68.868 0.084 0.000 1.642 129 T HN 0.846 nan 8.240 nan 0.000 0.587 130 N N -1.172 117.535 118.700 0.012 0.000 3.444 130 N HA 0.055 4.795 4.740 -0.000 0.000 0.148 130 N C -0.798 174.797 175.510 0.141 0.000 1.071 130 N CA -0.429 52.636 53.050 0.025 0.000 2.391 130 N CB -0.257 38.205 38.487 -0.043 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 -1.119 54.023 55.300 -0.264 0.000 1.122 131 M CB 0.997 33.359 32.600 -0.396 0.000 1.571 131 M HN -0.015 nan 8.290 nan 0.000 0.464 132 P HA 0.142 nan 4.420 nan 0.000 0.275 132 P C -0.215 176.854 177.300 -0.385 0.000 1.227 132 P CA 0.019 63.045 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 1.786 120.013 118.700 -0.788 0.000 2.036 133 N HA -0.150 4.590 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 1.067 53.757 53.050 -0.600 0.000 0.870 133 N CB 0.049 37.969 38.487 -0.946 0.000 1.055 133 N HN 0.100 nan 8.380 nan 0.000 0.436 134 V N 1.842 121.489 119.914 -0.444 0.000 2.313 134 V HA 0.316 4.436 4.120 -0.000 0.000 0.278 134 V C -0.714 175.297 176.094 -0.137 0.000 1.017 134 V CA -0.783 61.379 62.300 -0.230 0.000 0.823 134 V CB 0.814 32.525 31.823 -0.187 0.000 1.010 134 V HN 0.482 nan 8.190 nan 0.000 0.443 135 N N 2.316 120.972 118.700 -0.073 0.000 2.774 135 N HA 0.284 5.024 4.740 -0.000 0.000 0.264 135 N C 0.498 176.070 175.510 0.102 0.000 1.415 135 N CA -0.882 52.184 53.050 0.026 0.000 0.815 135 N CB 1.635 40.139 38.487 0.028 0.000 1.514 135 N HN 0.346 nan 8.380 nan 0.000 0.523 136 E N -0.516 119.789 120.200 0.175 0.000 2.072 136 E HA -0.114 4.236 4.350 -0.000 0.000 0.190 136 E C 1.098 177.859 176.600 0.269 0.000 0.982 136 E CA 0.760 57.292 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 0.742 120.750 119.950 0.097 0.000 2.171 137 F HA -0.116 4.411 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 1.147 59.136 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 -0.479 118.869 119.600 -0.421 0.000 2.556 138 M HA 0.095 4.575 4.480 -0.000 0.000 0.245 138 M C 0.130 176.259 176.300 -0.284 0.000 1.128 138 M CA 0.323 55.268 55.300 -0.592 0.000 1.069 138 M CB -1.427 30.982 32.600 -0.318 0.000 1.469 138 M HN 0.355 nan 8.290 nan 0.000 0.494 139 F N 0.779 120.662 119.950 -0.112 0.000 2.950 139 F HA -0.245 4.282 4.527 -0.000 0.000 0.334 139 F C 0.637 176.424 175.800 -0.021 0.000 0.979 139 F CA 0.332 58.306 58.000 -0.044 0.000 1.140 139 F CB -2.263 36.710 39.000 -0.045 0.000 1.281 139 F HN 0.287 nan 8.300 nan 0.000 0.734 140 T N -4.066 110.579 114.554 0.152 0.000 3.209 140 T HA 0.092 4.442 4.350 -0.000 0.000 0.295 140 T C 0.904 175.644 174.700 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 68.908 68.868 -0.031 0.000 1.152 140 T HN 0.455 nan 8.240 nan 0.000 0.527 141 N N 0.812 119.583 118.700 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 52.694 53.050 0.120 0.000 0.878 141 N CB 0.541 39.092 38.487 0.107 0.000 1.014 141 N HN 0.369 nan 8.380 nan 0.000 0.512 142 K N 0.139 120.655 120.400 0.194 0.000 2.433 142 K HA 0.556 4.876 4.320 -0.000 0.000 0.252 142 K C -1.551 175.250 176.600 0.334 0.000 1.015 142 K CA -0.857 55.547 56.287 0.195 0.000 0.860 142 K CB 2.247 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 -1.408 118.572 119.950 0.050 0.000 2.637 143 F HA 0.325 4.852 4.527 -0.000 0.000 0.316 143 F C -1.719 174.094 175.800 0.022 0.000 1.023 143 F CA -1.095 56.896 58.000 -0.015 0.000 1.071 143 F CB 0.599 39.582 39.000 -0.028 0.000 1.319 143 F HN 0.195 nan 8.300 nan 0.000 0.541 144 K N 3.196 123.531 120.400 -0.108 0.000 2.174 144 K HA 0.872 5.192 4.320 -0.000 0.000 0.275 144 K C -0.521 176.147 176.600 0.113 0.000 1.015 144 K CA -0.432 55.778 56.287 -0.127 0.000 0.933 144 K CB 1.710 34.129 32.500 -0.135 0.000 1.025 144 K HN 0.899 nan 8.250 nan 0.000 0.463 145 A N 2.541 125.522 122.820 0.268 0.000 2.594 145 A HA 0.509 4.829 4.320 -0.000 0.000 0.295 145 A C -1.397 176.355 177.584 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 0.785 121.229 120.500 -0.092 0.000 2.295 146 R HA 0.622 4.962 4.340 -0.000 0.000 0.324 146 R C -0.573 175.620 176.300 -0.178 0.000 0.968 146 R CA -0.296 55.529 56.100 -0.459 0.000 0.837 146 R CB 1.086 30.579 30.300 -1.345 0.000 1.133 146 R HN 0.973 nan 8.270 nan 0.000 0.450 147 V N 1.241 121.126 119.914 -0.048 0.000 3.158 147 V HA 0.573 4.693 4.120 -0.000 0.000 0.315 147 V C -0.086 176.109 176.094 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 1.210 120.906 119.600 0.161 0.000 2.185 148 M HA 0.401 4.881 4.480 -0.000 0.000 0.357 148 M C 0.014 176.324 176.300 0.018 0.000 1.260 148 M CA -0.092 55.165 55.300 -0.073 0.000 1.124 148 M CB 1.546 34.024 32.600 -0.203 0.000 1.600 148 M HN 0.699 nan 8.290 nan 0.000 0.467 149 V N 2.170 122.051 119.914 -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 -0.036 0.000 1.078 149 V CA 0.983 63.296 62.300 0.023 0.000 1.102 149 V CB 0.570 32.408 31.823 0.025 0.000 0.800 149 V HN 0.936 nan 8.190 nan 0.000 0.479 150 S N 0.380 116.017 115.700 -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 -0.740 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 0.334 nan 8.310 nan 0.000 0.479 151 R N 1.561 122.010 120.500 -0.085 0.000 2.360 151 R HA 0.669 5.009 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 -0.050 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 64.836 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 42.557 42.059 -0.015 0.000 1.197 153 L HN 0.976 nan 8.230 nan 0.000 0.427 154 T N 3.298 117.845 114.554 -0.012 0.000 2.916 154 T HA 0.344 4.694 4.350 -0.000 0.000 0.292 154 T C -0.506 174.190 174.700 -0.007 0.000 1.064 154 T CA -0.986 61.108 62.100 -0.010 0.000 1.011 154 T CB 1.770 70.631 68.868 -0.011 0.000 1.152 154 T HN 0.440 nan 8.240 nan 0.000 0.510 155 K N 2.651 123.047 120.400 -0.006 0.000 3.679 155 K HA -0.306 4.014 4.320 -0.000 0.000 0.274 155 K C 0.036 176.634 176.600 -0.004 0.000 0.839 155 K CA 0.766 57.050 56.287 -0.004 0.000 0.663 155 K CB -1.152 31.347 32.500 -0.002 0.000 1.638 155 K HN 0.785 nan 8.250 nan 0.000 0.443 156 D N -1.474 118.923 120.400 -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 2.310 56.308 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 0.534 120.932 120.400 -0.003 0.000 2.412 157 K HA 0.186 4.506 4.320 -0.000 0.000 0.202 157 K C 0.417 177.015 176.600 -0.003 0.000 1.102 157 K CA -0.074 56.211 56.287 -0.003 0.000 1.027 157 K CB 0.785 33.284 32.500 -0.002 0.000 0.931 157 K HN 0.303 nan 8.250 nan 0.000 0.557 158 Q N 1.772 121.570 119.800 -0.003 0.000 2.352 158 Q HA 0.115 4.455 4.340 -0.000 0.000 0.260 158 Q C -0.176 175.821 176.000 -0.006 0.000 0.976 158 Q CA -0.262 55.539 55.803 -0.002 0.000 0.881 158 Q CB 1.307 30.044 28.738 -0.001 0.000 1.235 158 Q HN -0.015 nan 8.270 nan 0.000 0.419 159 V N -0.362 119.549 119.914 -0.005 0.000 2.311 159 V HA 0.348 4.468 4.120 -0.000 0.000 0.275 159 V C -0.363 175.724 176.094 -0.012 0.000 1.022 159 V CA -0.673 61.620 62.300 -0.011 0.000 0.830 159 V CB 1.059 32.877 31.823 -0.009 0.000 1.012 159 V HN 0.760 nan 8.190 nan 0.000 0.452 160 E N 5.077 125.264 120.200 -0.021 0.000 2.081 160 E HA 0.494 4.844 4.350 -0.000 0.000 0.281 160 E C -1.073 175.495 176.600 -0.053 0.000 0.986 160 E CA -0.585 55.801 56.400 -0.024 0.000 0.796 160 E CB 1.186 30.874 29.700 -0.020 0.000 1.085 160 E HN 0.839 nan 8.360 nan 0.000 0.398 161 L N 5.117 126.305 121.223 -0.057 0.000 2.272 161 L HA 0.411 4.751 4.340 -0.000 0.000 0.289 161 L C -0.066 176.706 176.870 -0.163 0.000 1.032 161 L CA -0.740 54.005 54.840 -0.158 0.000 0.810 161 L CB 0.984 42.965 42.059 -0.130 0.000 1.205 161 L HN 0.259 nan 8.230 nan 0.000 0.422 162 K N 4.186 124.435 120.400 -0.252 0.000 2.394 162 K HA 0.458 4.778 4.320 -0.000 0.000 0.260 162 K C -1.175 175.281 176.600 -0.241 0.000 0.967 162 K CA -0.509 55.692 56.287 -0.144 0.000 0.855 162 K CB 1.835 34.291 32.500 -0.073 0.000 1.101 162 K HN 0.261 nan 8.250 nan 0.000 0.433 163 Y N 0.436 120.705 120.300 -0.052 0.000 2.487 163 Y HA 0.445 4.995 4.550 -0.000 0.000 0.337 163 Y C 0.524 176.360 175.900 -0.107 0.000 1.076 163 Y CA -0.631 57.413 58.100 -0.092 0.000 1.115 163 Y CB 2.112 40.481 38.460 -0.150 0.000 1.235 163 Y HN 0.534 nan 8.280 nan 0.000 0.468 164 E N 0.965 121.185 120.200 0.034 0.000 2.392 164 E HA 0.312 4.662 4.350 -0.000 0.000 0.279 164 E C -2.030 174.518 176.600 -0.087 0.000 0.964 164 E CA -0.792 55.600 56.400 -0.015 0.000 0.777 164 E CB 1.354 31.085 29.700 0.052 0.000 1.249 164 E HN 0.607 nan 8.360 nan 0.000 0.449 165 W N 2.203 123.493 121.300 -0.016 0.000 2.313 165 W HA 0.533 5.193 4.660 -0.000 0.000 0.328 165 W C -0.321 176.096 176.519 -0.170 0.000 1.197 165 W CA -0.209 57.087 57.345 -0.081 0.000 1.235 165 W CB 1.483 30.899 29.460 -0.073 0.000 1.158 165 W HN 0.236 nan 8.180 nan 0.000 0.578 166 V N 2.470 122.359 119.914 -0.041 0.000 3.077 166 V HA 0.322 4.442 4.120 -0.000 0.000 0.299 166 V C -1.338 174.301 176.094 -0.759 0.000 1.276 166 V CA -0.990 61.091 62.300 -0.365 0.000 0.993 166 V CB 1.968 33.509 31.823 -0.470 0.000 1.076 166 V HN 0.584 nan 8.190 nan 0.000 0.434 167 E N 4.907 124.728 120.200 -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 -0.537 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 1.934 121.644 119.950 -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 1.403 40.194 39.000 -0.348 0.000 1.184 168 F HN 0.230 nan 8.300 nan 0.000 0.499 169 T N 0.349 114.996 114.554 0.155 0.000 2.932 169 T HA 0.829 5.179 4.350 -0.000 0.000 0.289 169 T C -0.819 173.985 174.700 0.174 0.000 1.039 169 T CA -0.896 61.293 62.100 0.148 0.000 1.024 169 T CB 1.376 70.300 68.868 0.092 0.000 1.090 169 T HN 0.556 nan 8.240 nan 0.000 0.496 170 L N 1.780 123.098 121.223 0.158 0.000 2.322 170 L HA 0.597 4.937 4.340 -0.000 0.000 0.269 170 L C -2.153 174.772 176.870 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 44.348 42.059 0.109 0.000 1.295 170 L HN 0.556 nan 8.230 nan 0.000 0.438 171 P HA 0.143 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 0.493 32.234 31.700 0.068 0.000 1.098 172 E N 1.819 122.051 120.200 0.054 0.000 2.864 172 E HA -0.029 4.321 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 0.041 0.000 0.985 172 E CB -0.087 29.660 29.700 0.078 0.000 1.000 172 E HN 0.771 nan 8.360 nan 0.000 0.475 173 G N 3.081 111.863 108.800 -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 2.116 120.846 118.700 0.051 0.000 2.972 174 N HA -0.009 4.731 4.740 -0.000 0.000 0.295 174 N C 0.352 175.850 175.510 -0.019 0.000 1.162 174 N CA 1.359 54.451 53.050 0.070 0.000 0.895 174 N CB -1.084 37.416 38.487 0.022 0.000 1.022 174 N HN 0.700 nan 8.380 nan 0.000 0.610 175 Y N 1.034 121.307 120.300 -0.044 0.000 2.360 175 Y HA 0.174 4.724 4.550 -0.000 0.000 0.433 175 Y C 1.632 177.489 175.900 -0.072 0.000 1.305 175 Y CA 0.048 58.117 58.100 -0.052 0.000 1.980 175 Y CB -0.575 37.862 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 0.125 0.000 3.339 176 S HA -0.187 4.283 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 0.465 58.677 58.200 0.019 0.000 1.044 176 S CB -0.481 62.705 63.200 -0.023 0.000 0.721 176 S HN 0.786 nan 8.310 nan 0.000 0.267 177 E N 2.833 122.993 120.200 -0.067 0.000 2.021 177 E HA -0.080 4.270 4.350 -0.000 0.000 0.189 177 E C 1.820 178.331 176.600 -0.148 0.000 0.980 177 E CA 1.280 57.610 56.400 -0.117 0.000 0.803 177 E CB -1.048 28.581 29.700 -0.117 0.000 0.766 177 E HN 0.726 nan 8.360 nan 0.000 0.449 178 T N 1.883 116.356 114.554 -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 0.218 nan 8.240 nan 0.000 0.427 179 M N 0.755 120.237 119.600 -0.196 0.000 2.202 179 M HA -0.172 4.308 4.480 -0.000 0.000 0.262 179 M C 2.117 178.284 176.300 -0.222 0.000 1.063 179 M CA 1.537 56.685 55.300 -0.252 0.000 1.097 179 M CB -0.478 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 1.066 115.511 114.554 -0.183 0.000 2.788 180 T HA -0.112 4.238 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 1.568 63.555 62.100 -0.188 0.000 1.139 180 T CB -0.367 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 1.424 121.843 120.570 -0.252 0.000 2.099 181 I HA -0.219 3.951 4.170 -0.000 0.000 0.239 181 I C 2.332 178.335 176.117 -0.190 0.000 1.066 181 I CA 1.528 62.663 61.300 -0.276 0.000 1.324 181 I CB -0.518 37.364 38.000 -0.198 0.000 1.037 181 I HN 0.143 nan 8.210 nan 0.000 0.401 182 D N 1.079 121.373 120.400 -0.177 0.000 2.157 182 D HA -0.223 4.417 4.640 -0.000 0.000 0.191 182 D C 2.182 178.517 176.300 0.058 0.000 1.004 182 D CA 1.457 55.380 54.000 -0.129 0.000 0.854 182 D CB -0.513 39.970 40.800 -0.528 0.000 0.936 182 D HN 0.263 nan 8.370 nan 0.000 0.446 183 L N -0.428 120.798 121.223 0.006 0.000 2.127 183 L HA -0.170 4.170 4.340 -0.000 0.000 0.211 183 L C 2.427 179.352 176.870 0.090 0.000 1.089 183 L CA 0.903 55.820 54.840 0.128 0.000 0.757 183 L CB -0.293 41.800 42.059 0.057 0.000 0.899 183 L HN 0.106 nan 8.230 nan 0.000 0.434 184 M N -0.999 118.582 119.600 -0.031 0.000 2.081 184 M HA -0.166 4.314 4.480 -0.000 0.000 0.261 184 M C 2.129 178.503 176.300 0.122 0.000 1.075 184 M CA 1.520 56.799 55.300 -0.035 0.000 1.133 184 M CB -0.537 31.714 32.600 -0.582 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 1.955 55.104 53.050 0.166 0.000 0.862 185 N CB -0.816 37.745 38.487 0.124 0.000 1.018 185 N HN 0.411 nan 8.380 nan 0.000 0.429 186 N N 0.803 119.570 118.700 0.113 0.000 2.149 186 N HA -0.106 4.634 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 1.622 54.714 53.050 0.070 0.000 0.857 186 N CB -0.209 38.344 38.487 0.110 0.000 0.997 186 N HN 0.208 nan 8.380 nan 0.000 0.426 187 A N 0.315 123.178 122.820 0.071 0.000 2.015 187 A HA -0.018 4.302 4.320 -0.000 0.000 0.219 187 A C 2.047 179.582 177.584 -0.081 0.000 1.163 187 A CA 0.844 52.916 52.037 0.058 0.000 0.646 187 A CB -0.522 18.547 19.000 0.115 0.000 0.806 187 A HN 0.361 nan 8.150 nan 0.000 0.448 188 I N -0.219 120.223 120.570 -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 62.221 61.300 -0.292 0.000 1.357 188 I CB -1.411 36.481 38.000 -0.180 0.000 1.051 188 I HN 0.141 nan 8.210 nan 0.000 0.409 189 V N 0.825 120.786 119.914 0.079 0.000 2.223 189 V HA -0.281 3.839 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 1.808 64.210 62.300 0.170 0.000 1.000 189 V CB -0.733 31.132 31.823 0.069 0.000 0.635 189 V HN 0.387 nan 8.190 nan 0.000 0.445 190 E N -0.911 119.388 120.200 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 1.688 58.180 56.400 0.153 0.000 0.823 190 E CB -0.226 29.548 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 1.528 57.704 56.048 0.212 0.000 1.359 191 H CB -0.359 29.618 29.762 0.359 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 2.572 178.487 175.900 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 0.163 nan 8.280 nan 0.000 0.520 193 L N 0.309 121.565 121.223 0.055 0.000 2.191 193 L HA -0.198 4.142 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 1.856 56.656 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 -1.228 119.076 120.400 -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 -1.583 118.135 119.914 -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 62.828 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 2.500 111.144 108.800 -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 -0.397 0.000 1.359 196 G CA 2.018 46.976 45.100 -0.237 0.000 0.800 196 G HN 0.611 nan 8.290 nan 0.000 0.680 197 R N 0.041 120.004 120.500 -0.894 0.000 2.133 197 R HA -0.207 4.133 4.340 -0.000 0.000 0.245 197 R C 1.946 178.108 176.300 -0.230 0.000 1.137 197 R CA 2.021 57.843 56.100 -0.464 0.000 0.947 197 R CB -0.898 29.117 30.300 -0.475 0.000 0.865 197 R HN 0.444 nan 8.270 nan 0.000 0.437 198 Q N 0.884 120.545 119.800 -0.232 0.000 2.336 198 Q HA 0.082 4.422 4.340 -0.000 0.000 0.231 198 Q C -0.538 175.396 176.000 -0.111 0.000 0.900 198 Q CA 0.438 56.156 55.803 -0.143 0.000 0.966 198 Q CB 0.093 28.752 28.738 -0.133 0.000 1.219 198 Q HN 0.444 nan 8.270 nan 0.000 0.412 199 N N -1.352 117.288 118.700 -0.101 0.000 2.278 199 N HA 0.149 4.889 4.740 -0.000 0.000 0.239 199 N C -0.128 175.348 175.510 -0.057 0.000 1.411 199 N CA 0.531 53.537 53.050 -0.072 0.000 0.908 199 N CB 1.082 39.525 38.487 -0.073 0.000 1.307 199 N HN 0.295 nan 8.380 nan 0.000 0.522 200 G N 0.154 108.924 108.800 -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 44.802 45.100 -0.028 0.000 1.151 200 G HN 0.938 nan 8.290 nan 0.000 0.561 201 V N 3.030 122.954 119.914 0.016 0.000 3.383 201 V HA -0.083 4.037 4.120 -0.000 0.000 0.276 201 V C 1.063 177.276 176.094 0.199 0.000 1.512 201 V CA 1.860 64.211 62.300 0.085 0.000 1.498 201 V CB -0.890 31.003 31.823 0.117 0.000 0.827 201 V HN 0.995 nan 8.190 nan 0.000 0.372 202 L N 5.465 126.759 121.223 0.117 0.000 2.490 202 L HA 0.469 4.809 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 -0.485 54.417 54.840 0.103 0.000 0.813 202 L CB 0.018 42.090 42.059 0.021 0.000 1.233 202 L HN 0.581 nan 8.230 nan 0.000 0.489 203 E N 0.052 120.188 120.200 -0.108 0.000 2.072 203 E HA -0.117 4.233 4.350 -0.000 0.000 0.190 203 E C 2.106 178.590 176.600 -0.193 0.000 0.982 203 E CA 1.155 57.343 56.400 -0.354 0.000 0.803 203 E CB -0.046 29.317 29.700 -0.562 0.000 0.755 203 E HN 0.627 nan 8.360 nan 0.000 0.453 204 S N 1.668 117.307 115.700 -0.102 0.000 2.413 204 S HA -0.167 4.303 4.470 -0.000 0.000 0.237 204 S C 1.062 175.678 174.600 0.026 0.000 1.044 204 S CA 1.677 59.869 58.200 -0.013 0.000 1.024 204 S CB -0.308 62.889 63.200 -0.006 0.000 0.829 204 S HN 0.424 nan 8.310 nan 0.000 0.475 205 D N 0.129 120.533 120.400 0.005 0.000 3.008 205 D HA 0.203 4.843 4.640 -0.000 0.000 0.312 205 D C -0.384 175.942 176.300 0.043 0.000 1.361 205 D CA -0.284 53.737 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 1.064 121.650 120.570 0.027 0.000 2.379 206 I HA 0.277 4.447 4.170 -0.000 0.000 0.290 206 I C 1.096 177.239 176.117 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 0.104 nan 8.210 nan 0.000 0.505 207 G N 4.913 113.748 108.800 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 -0.372 174.502 174.900 -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 1.202 121.050 119.914 -0.110 0.000 3.284 208 V HA -0.116 4.004 4.120 -0.000 0.000 0.470 208 V C -0.192 175.718 176.094 -0.306 0.000 0.682 208 V CA 0.698 62.866 62.300 -0.219 0.000 2.009 208 V CB -0.944 30.770 31.823 -0.181 0.000 2.467 208 V HN 1.170 nan 8.190 nan 0.000 0.498 209 K N 5.457 125.607 120.400 -0.417 0.000 2.550 209 K HA 0.588 4.909 4.320 -0.000 0.000 0.252 209 K C -1.289 175.078 176.600 -0.388 0.000 0.943 209 K CA -0.749 55.328 56.287 -0.350 0.000 0.806 209 K CB 1.398 33.766 32.500 -0.220 0.000 1.289 209 K HN 0.338 nan 8.250 nan 0.000 0.435 210 F N 2.971 122.885 119.950 -0.060 0.000 2.420 210 F HA 0.293 4.820 4.527 -0.000 0.000 0.352 210 F C 0.981 176.753 175.800 -0.047 0.000 1.108 210 F CA -0.134 57.832 58.000 -0.056 0.000 1.162 210 F CB 0.814 39.755 39.000 -0.099 0.000 1.118 210 F HN 0.461 nan 8.300 nan 0.000 0.510 211 D N 0.493 120.974 120.400 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 2.318 43.236 40.800 0.197 0.000 1.363 211 D HN 0.523 nan 8.370 nan 0.000 0.617 212 T N -2.028 112.524 114.554 -0.004 0.000 3.855 212 T HA 0.279 4.629 4.350 -0.000 0.000 0.313 212 T C -0.012 174.606 174.700 -0.136 0.000 0.938 212 T CA -0.624 61.438 62.100 -0.063 0.000 1.011 212 T CB -0.025 68.798 68.868 -0.075 0.000 1.188 212 T HN 0.544 nan 8.240 nan 0.000 0.477 213 R N 0.112 120.462 120.500 -0.250 0.000 2.888 213 R HA 0.542 4.882 4.340 -0.000 0.000 0.264 213 R C -0.927 175.042 176.300 -0.550 0.000 1.045 213 R CA -1.016 54.812 56.100 -0.454 0.000 0.962 213 R CB 0.906 30.859 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 -0.627 0.000 3.034 214 N HA 0.140 4.880 4.740 -0.000 0.000 0.265 214 N C -1.016 174.303 175.510 -0.317 0.000 1.166 214 N CA -0.529 52.302 53.050 -0.366 0.000 1.081 214 N CB 0.123 38.362 38.487 -0.413 0.000 1.378 214 N HN 0.343 nan 8.380 nan 0.000 0.520 215 F N 2.276 122.104 119.950 -0.203 0.000 2.616 215 F HA 0.035 4.562 4.527 -0.000 0.000 0.331 215 F C 1.550 177.241 175.800 -0.181 0.000 1.309 215 F CA 0.109 57.953 58.000 -0.259 0.000 1.068 215 F CB 0.016 38.714 39.000 -0.504 0.000 1.464 215 F HN 0.569 nan 8.300 nan 0.000 0.667 216 R N 0.719 121.227 120.500 0.013 0.000 2.475 216 R HA 0.056 4.396 4.340 -0.000 0.000 0.050 216 R C 0.557 176.851 176.300 -0.010 0.000 0.505 216 R CA 0.085 56.139 56.100 -0.077 0.000 0.784 216 R CB -0.793 29.215 30.300 -0.486 0.000 0.896 216 R HN 0.555 nan 8.270 nan 0.000 0.567 217 L N -0.773 120.454 121.223 0.007 0.000 2.044 217 L HA 0.140 4.480 4.340 -0.000 0.000 0.205 217 L C 2.259 179.189 176.870 0.100 0.000 1.075 217 L CA 1.836 56.692 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 -0.127 108.741 108.800 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 0.639 175.624 174.900 0.141 0.000 1.158 218 G CA -0.217 44.943 45.100 0.101 0.000 0.771 218 G HN 0.182 nan 8.290 nan 0.000 0.545 219 F N 1.798 121.773 119.950 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 0.413 58.442 58.000 0.048 0.000 1.125 219 F CB 0.435 39.458 39.000 0.040 0.000 0.860 219 F HN 0.088 nan 8.300 nan 0.000 0.551 220 D N 8.739 128.769 120.400 -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 -0.620 0.000 1.080 220 D CA -1.771 51.985 54.000 -0.407 0.000 0.836 220 D CB 1.955 42.583 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 0.683 63.790 63.100 0.011 0.000 0.788 221 P CB 0.714 32.493 31.700 0.132 0.000 0.767 222 V N -0.506 119.330 119.914 -0.131 0.000 2.599 222 V HA -0.068 4.052 4.120 -0.000 0.000 0.237 222 V C 2.617 178.627 176.094 -0.139 0.000 1.081 222 V CA 1.902 64.145 62.300 -0.094 0.000 1.107 222 V CB -1.712 30.071 31.823 -0.066 0.000 0.808 222 V HN 0.040 nan 8.190 nan 0.000 0.486 223 T N 0.551 114.992 114.554 -0.188 0.000 2.699 223 T HA -0.085 4.265 4.350 -0.000 0.000 0.268 223 T C 1.544 176.115 174.700 -0.215 0.000 1.036 223 T CA 2.040 64.026 62.100 -0.189 0.000 1.147 223 T CB -0.673 68.064 68.868 -0.219 0.000 0.862 223 T HN 0.981 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 0.052 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 -0.735 120.303 121.223 -0.308 0.000 2.359 225 L HA 0.572 4.912 4.340 -0.000 0.000 0.256 225 L C 0.526 177.338 176.870 -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 2.777 122.722 119.914 0.051 0.000 2.149 226 V HA -0.013 4.107 4.120 -0.000 0.000 0.245 226 V C 1.474 177.538 176.094 -0.050 0.000 1.349 226 V CA -0.252 62.081 62.300 0.054 0.000 1.289 226 V CB 0.080 31.957 31.823 0.090 0.000 1.401 226 V HN 0.717 nan 8.190 nan 0.000 0.501 227 M N 3.564 123.108 119.600 -0.092 0.000 2.186 227 M HA -0.209 4.271 4.480 -0.000 0.000 0.249 227 M C 0.011 176.242 176.300 -0.115 0.000 1.081 227 M CA 2.277 57.494 55.300 -0.138 0.000 1.072 227 M CB -2.436 30.074 32.600 -0.150 0.000 1.318 227 M HN 0.367 nan 8.290 nan 0.000 0.405 228 P HA -0.032 nan 4.420 nan 0.000 0.222 228 P C 0.912 178.178 177.300 -0.057 0.000 1.142 228 P CA 2.120 65.190 63.100 -0.050 0.000 0.788 228 P CB -0.156 31.530 31.700 -0.025 0.000 0.767 229 G N -2.448 106.301 108.800 -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 0.385 nan 8.290 nan 0.000 0.533 230 V N -0.303 119.532 119.914 -0.132 0.000 2.851 230 V HA 0.438 4.558 4.120 -0.000 0.000 0.307 230 V C -0.444 175.569 176.094 -0.136 0.000 1.129 230 V CA -1.381 60.844 62.300 -0.123 0.000 0.932 230 V CB 1.817 33.629 31.823 -0.019 0.000 1.024 230 V HN 0.247 nan 8.190 nan 0.000 0.426 231 Y N 1.964 122.309 120.300 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 0.925 39.413 38.460 0.046 0.000 1.163 231 Y HN 0.698 nan 8.280 nan 0.000 0.527 232 T N 3.688 118.272 114.554 0.050 0.000 2.609 232 T HA -0.197 4.153 4.350 -0.000 0.000 0.257 232 T C 0.882 175.544 174.700 -0.064 0.000 1.032 232 T CA -0.060 62.034 62.100 -0.011 0.000 1.244 232 T CB -0.446 68.407 68.868 -0.025 0.000 1.003 232 T HN 0.604 nan 8.240 nan 0.000 0.507 233 N N 4.962 123.651 118.700 -0.019 0.000 2.938 233 N HA 0.035 4.775 4.740 -0.000 0.000 0.286 233 N C -0.070 175.435 175.510 -0.007 0.000 1.316 233 N CA 0.250 53.286 53.050 -0.024 0.000 1.063 233 N CB -0.151 38.346 38.487 0.017 0.000 1.388 233 N HN 0.737 nan 8.380 nan 0.000 0.545 234 E N -0.739 119.451 120.200 -0.017 0.000 2.212 234 E HA 0.594 4.944 4.350 -0.000 0.000 0.268 234 E C -1.075 175.616 176.600 0.151 0.000 0.902 234 E CA -1.029 55.437 56.400 0.111 0.000 0.779 234 E CB 1.468 31.331 29.700 0.272 0.000 1.172 234 E HN 0.293 nan 8.360 nan 0.000 0.409 235 A N 3.177 126.114 122.820 0.195 0.000 2.320 235 A HA 0.366 4.686 4.320 -0.000 0.000 0.287 235 A C -0.631 177.183 177.584 0.385 0.000 1.181 235 A CA -0.072 52.073 52.037 0.180 0.000 0.831 235 A CB -0.000 19.019 19.000 0.032 0.000 1.102 235 A HN 0.619 nan 8.150 nan 0.000 0.513 236 F N 0.001 119.858 119.950 -0.156 0.000 2.577 236 F HA 0.277 4.804 4.527 -0.000 0.000 0.276 236 F C 0.768 176.522 175.800 -0.076 0.000 1.032 236 F CA 0.969 58.889 58.000 -0.133 0.000 1.297 236 F CB -0.107 38.767 39.000 -0.209 0.000 1.061 236 F HN 0.763 nan 8.300 nan 0.000 0.680 237 H N -1.679 117.334 119.070 -0.094 0.000 3.081 237 H HA 0.359 4.915 4.556 -0.000 0.000 0.322 237 H C -3.063 172.225 175.328 -0.067 0.000 1.266 237 H CA -1.627 54.372 56.048 -0.081 0.000 1.279 237 H CB 1.920 31.663 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 0.678 32.157 31.700 -0.368 0.000 0.901 239 D N 1.388 121.885 120.400 0.161 0.000 2.615 239 D HA 0.349 4.989 4.640 -0.000 0.000 0.267 239 D C -1.173 175.264 176.300 0.227 0.000 1.236 239 D CA -0.642 53.568 54.000 0.350 0.000 0.839 239 D CB 1.253 42.408 40.800 0.592 0.000 1.380 239 D HN 0.279 nan 8.370 nan 0.000 0.433 240 I N -1.785 118.912 120.570 0.211 0.000 2.465 240 I HA 0.599 4.769 4.170 -0.000 0.000 0.291 240 I C -0.855 175.271 176.117 0.015 0.000 1.014 240 I CA -1.139 60.176 61.300 0.026 0.000 1.093 240 I CB 1.693 39.671 38.000 -0.037 0.000 1.267 240 I HN 0.271 nan 8.210 nan 0.000 0.431 241 I N 6.378 126.871 120.570 -0.127 0.000 2.437 241 I HA 0.512 4.682 4.170 -0.000 0.000 0.298 241 I C -0.396 175.633 176.117 -0.146 0.000 0.984 241 I CA -0.682 60.526 61.300 -0.154 0.000 1.214 241 I CB 1.834 39.637 38.000 -0.329 0.000 1.365 241 I HN 0.478 nan 8.210 nan 0.000 0.469 242 L N 5.890 127.110 121.223 -0.006 0.000 2.371 242 L HA 0.587 4.927 4.340 -0.000 0.000 0.262 242 L C -0.670 176.337 176.870 0.228 0.000 1.006 242 L CA -0.740 54.156 54.840 0.093 0.000 0.818 242 L CB 2.413 44.601 42.059 0.216 0.000 1.354 242 L HN 0.440 nan 8.230 nan 0.000 0.415 243 L N 1.525 122.783 121.223 0.059 0.000 2.358 243 L HA 0.537 4.877 4.340 -0.000 0.000 0.268 243 L C -2.168 174.225 176.870 -0.795 0.000 1.032 243 L CA -1.822 52.969 54.840 -0.082 0.000 0.805 243 L CB 2.145 44.233 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 0.560 177.338 177.300 -0.869 0.000 1.201 244 P CA 0.896 63.116 63.100 -1.466 0.000 0.775 244 P CB 0.445 31.790 31.700 -0.592 0.000 0.854 245 G N -0.057 108.306 108.800 -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 45.249 45.100 -0.854 0.000 0.624 245 G HN 0.849 nan 8.290 nan 0.000 0.543 246 C N -1.620 117.302 119.300 -0.630 0.000 2.651 246 C HA 1.110 5.570 4.460 -0.000 0.000 0.416 246 C C 1.071 175.933 174.990 -0.213 0.000 1.818 246 C CA 0.010 58.773 59.018 -0.425 0.000 1.790 246 C CB 1.256 28.857 27.740 -0.231 0.000 2.048 246 C HN 2.245 nan 8.230 nan 0.000 0.470 247 G N -1.370 107.319 108.800 -0.185 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 -1.262 173.679 174.900 0.069 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 -2.286 117.765 119.914 0.228 0.000 3.001 248 V HA 0.930 5.050 4.120 -0.000 0.000 0.314 248 V C -1.301 174.973 176.094 0.301 0.000 1.099 248 V CA -0.684 61.786 62.300 0.282 0.000 0.989 248 V CB 2.197 34.110 31.823 0.151 0.000 1.040 248 V HN 1.052 nan 8.190 nan 0.000 0.434 249 D N 1.133 121.585 120.400 0.087 0.000 2.863 249 D HA 0.448 5.088 4.640 -0.000 0.000 0.245 249 D C -0.932 175.187 176.300 -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 2.323 178.092 175.800 -0.051 0.000 1.093 250 F CA -0.230 57.730 58.000 -0.067 0.000 1.244 250 F CB 0.536 39.350 39.000 -0.311 0.000 1.052 250 F HN 0.322 nan 8.300 nan 0.000 0.573 251 T N -0.847 113.744 114.554 0.061 0.000 2.771 251 T HA -0.282 4.068 4.350 -0.000 0.000 0.262 251 T C 0.733 175.293 174.700 -0.233 0.000 1.027 251 T CA 1.847 63.874 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 0.028 119.088 119.070 -0.017 0.000 2.429 252 H HA 0.660 5.216 4.556 -0.000 0.000 0.237 252 H C -0.329 174.937 175.328 -0.102 0.000 1.378 252 H CA -0.286 55.685 56.048 -0.128 0.000 1.170 252 H CB 0.340 29.952 29.762 -0.249 0.000 1.671 252 H HN 0.194 nan 8.280 nan 0.000 0.541 253 S N 0.281 116.065 115.700 0.141 0.000 2.556 253 S HA 0.283 4.753 4.470 -0.000 0.000 0.280 253 S C 0.351 175.041 174.600 0.149 0.000 1.141 253 S CA -0.729 57.578 58.200 0.179 0.000 0.883 253 S CB 1.264 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 2.680 123.246 120.500 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 0.285 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 0.493 121.677 121.223 -0.066 0.000 2.189 255 L HA -0.265 4.075 4.340 -0.000 0.000 0.214 255 L C 2.584 179.182 176.870 -0.452 0.000 1.097 255 L CA 1.386 56.112 54.840 -0.190 0.000 0.764 255 L CB -0.580 41.418 42.059 -0.102 0.000 0.900 255 L HN 0.259 nan 8.230 nan 0.000 0.436 256 S N 0.655 115.946 115.700 -0.683 0.000 2.369 256 S HA -0.290 4.180 4.470 -0.000 0.000 0.225 256 S C 1.888 176.121 174.600 -0.611 0.000 1.043 256 S CA 2.021 59.541 58.200 -1.133 0.000 1.074 256 S CB -0.376 62.196 63.200 -1.047 0.000 0.962 256 S HN 0.491 nan 8.310 nan 0.000 0.433 257 N N 1.090 119.575 118.700 -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 1.215 54.129 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 0.841 121.900 121.223 -0.273 0.000 2.131 258 L HA 0.053 4.393 4.340 -0.000 0.000 0.206 258 L C 1.956 178.653 176.870 -0.288 0.000 1.087 258 L CA 1.072 55.764 54.840 -0.248 0.000 0.767 258 L CB -0.280 41.625 42.059 -0.256 0.000 0.917 258 L HN 0.055 nan 8.230 nan 0.000 0.441 259 L N -0.195 120.802 121.223 -0.377 0.000 2.291 259 L HA 0.125 4.465 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 0.687 55.295 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 1.233 109.881 108.800 -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 -0.302 44.751 45.100 -0.079 0.000 0.845 260 G HN 0.279 nan 8.290 nan 0.000 0.494 261 I N 0.227 120.640 120.570 -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 1.482 39.023 38.000 -0.764 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 2.402 32.714 30.300 0.020 0.000 1.197 262 R HN 0.398 nan 8.270 nan 0.000 0.481 263 K N 1.259 121.549 120.400 -0.182 0.000 2.270 263 K HA 0.166 4.486 4.320 -0.000 0.000 0.276 263 K C 0.761 177.310 176.600 -0.086 0.000 1.023 263 K CA -0.125 56.007 56.287 -0.258 0.000 0.955 263 K CB 1.011 33.328 32.500 -0.305 0.000 0.975 263 K HN 0.360 nan 8.250 nan 0.000 0.471 264 R N 1.312 121.805 120.500 -0.012 0.000 2.323 264 R HA -0.062 4.278 4.340 -0.000 0.000 0.198 264 R C 0.156 176.472 176.300 0.027 0.000 0.988 264 R CA 0.906 57.022 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 0.509 nan 8.270 nan 0.000 0.476 265 Q N -0.990 118.817 119.800 0.013 0.000 3.394 265 Q HA 0.156 4.496 4.340 -0.000 0.000 0.285 265 Q C -2.279 173.692 176.000 -0.048 0.000 0.866 265 Q CA -1.509 54.307 55.803 0.023 0.000 0.844 265 Q CB 1.687 30.469 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 0.580 177.685 177.300 -0.324 0.000 1.160 266 P CA 1.728 64.613 63.100 -0.358 0.000 0.933 266 P CB 0.051 31.354 31.700 -0.662 0.000 0.793 267 F N -1.072 118.898 119.950 0.034 0.000 2.494 267 F HA -0.109 4.418 4.527 -0.000 0.000 0.298 267 F C 1.308 177.125 175.800 0.028 0.000 1.106 267 F CA 0.650 58.670 58.000 0.035 0.000 1.452 267 F CB -1.222 37.797 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 0.007 176.037 176.000 0.050 0.000 1.348 268 Q CA -0.267 55.585 55.803 0.081 0.000 0.990 268 Q CB -0.519 28.247 28.738 0.047 0.000 1.570 268 Q HN 0.482 nan 8.270 nan 0.000 0.575 269 E N 0.587 120.827 120.200 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 0.489 56.920 56.400 0.050 0.000 0.958 269 E CB -0.081 29.652 29.700 0.054 0.000 0.898 269 E HN 0.612 nan 8.360 nan 0.000 0.537 270 G N 4.063 112.886 108.800 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 -0.982 174.001 174.900 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 2.671 122.664 119.950 0.072 0.000 2.377 271 F HA 0.579 5.106 4.527 -0.000 0.000 0.360 271 F C 0.808 176.729 175.800 0.202 0.000 1.147 271 F CA -0.670 57.438 58.000 0.181 0.000 1.170 271 F CB 0.395 39.501 39.000 0.176 0.000 1.339 271 F HN 0.083 nan 8.300 nan 0.000 0.552 272 R N 6.206 127.045 120.500 0.564 0.000 2.451 272 R HA 0.445 4.785 4.340 -0.000 0.000 0.307 272 R C -1.187 175.455 176.300 0.569 0.000 0.965 272 R CA -0.804 55.561 56.100 0.440 0.000 0.865 272 R CB 2.323 32.767 30.300 0.241 0.000 1.174 272 R HN 0.636 nan 8.270 nan 0.000 0.455 273 I N 3.173 124.069 120.570 0.543 0.000 2.428 273 I HA 0.209 4.379 4.170 -0.000 0.000 0.279 273 I C -0.407 175.938 176.117 0.381 0.000 1.040 273 I CA -0.107 61.502 61.300 0.516 0.000 1.171 273 I CB 1.401 39.685 38.000 0.474 0.000 1.312 273 I HN 0.520 nan 8.210 nan 0.000 0.470 274 T N 5.469 120.230 114.554 0.344 0.000 2.828 274 T HA 0.010 4.360 4.350 -0.000 0.000 0.290 274 T C 0.686 175.523 174.700 0.227 0.000 1.019 274 T CA 0.058 62.310 62.100 0.253 0.000 1.031 274 T CB 0.975 69.968 68.868 0.210 0.000 1.001 274 T HN 0.551 nan 8.240 nan 0.000 0.531 275 Y N 1.301 121.630 120.300 0.049 0.000 2.145 275 Y HA -0.197 4.353 4.550 -0.000 0.000 0.286 275 Y C 2.297 178.230 175.900 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 0.121 120.591 120.400 0.116 0.000 2.203 276 D HA -0.215 4.425 4.640 -0.000 0.000 0.199 276 D C 1.452 177.754 176.300 0.004 0.000 0.997 276 D CA 1.749 55.765 54.000 0.026 0.000 0.863 276 D CB -0.107 40.747 40.800 0.090 0.000 0.928 276 D HN 0.551 nan 8.370 nan 0.000 0.458 277 D N 0.217 120.673 120.400 0.094 0.000 2.117 277 D HA -0.071 4.569 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 -0.046 40.975 40.800 0.369 0.000 0.967 277 D HN 0.295 nan 8.370 nan 0.000 0.464 278 L N 2.234 123.489 121.223 0.053 0.000 2.869 278 L HA 0.032 4.372 4.340 -0.000 0.000 0.240 278 L C 0.972 177.767 176.870 -0.124 0.000 1.448 278 L CA -0.241 54.593 54.840 -0.010 0.000 1.158 278 L CB -0.827 41.213 42.059 -0.032 0.000 1.497 278 L HN -0.047 nan 8.230 nan 0.000 0.447 279 E N 0.999 121.156 120.200 -0.072 0.000 2.683 279 E HA 0.135 4.485 4.350 -0.000 0.000 0.266 279 E C 0.896 177.429 176.600 -0.111 0.000 1.434 279 E CA 0.528 56.872 56.400 -0.093 0.000 1.137 279 E CB 0.331 30.009 29.700 -0.036 0.000 0.992 279 E HN 0.416 nan 8.360 nan 0.000 0.607 280 G N -0.570 108.173 108.800 -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 0.513 175.312 174.900 -0.168 0.000 0.190 280 G CA 0.700 45.733 45.100 -0.112 0.000 1.231 280 G HN 1.085 nan 8.290 nan 0.000 0.363 281 G N 2.109 110.752 108.800 -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 -0.314 174.408 174.900 -0.297 0.000 1.078 281 G CA -0.203 44.723 45.100 -0.290 0.000 0.864 281 G HN 0.970 nan 8.290 nan 0.000 0.521 282 N N 0.884 119.340 118.700 -0.407 0.000 2.430 282 N HA 0.419 5.159 4.740 -0.000 0.000 0.292 282 N C 0.834 176.145 175.510 -0.332 0.000 1.051 282 N CA -0.582 52.296 53.050 -0.287 0.000 0.917 282 N CB 1.727 40.082 38.487 -0.219 0.000 1.164 282 N HN 0.316 nan 8.380 nan 0.000 0.484 283 I N 2.574 123.010 120.570 -0.223 0.000 2.828 283 I HA -0.075 4.095 4.170 -0.000 0.000 0.292 283 I C -1.807 174.298 176.117 -0.020 0.000 1.206 283 I CA -0.703 60.470 61.300 -0.212 0.000 1.420 283 I CB -0.254 37.497 38.000 -0.414 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 -0.555 177.030 177.300 0.475 0.000 1.254 284 P CA -0.221 63.119 63.100 0.399 0.000 0.795 284 P CB 0.602 32.632 31.700 0.550 0.000 1.022 285 A N 0.449 123.534 122.820 0.441 0.000 2.269 285 A HA 0.616 4.936 4.320 -0.000 0.000 0.327 285 A C -0.528 177.191 177.584 0.226 0.000 1.112 285 A CA -0.724 51.531 52.037 0.363 0.000 0.865 285 A CB 0.093 19.255 19.000 0.270 0.000 1.227 285 A HN 0.436 nan 8.150 nan 0.000 0.498 286 L N 0.768 122.069 121.223 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 0.994 43.008 42.059 -0.075 0.000 1.174 286 L HN 0.696 nan 8.230 nan 0.000 0.438 287 L N 2.177 123.368 121.223 -0.054 0.000 2.461 287 L HA 0.069 4.409 4.340 -0.000 0.000 0.272 287 L C 0.514 177.358 176.870 -0.043 0.000 1.197 287 L CA 0.392 55.193 54.840 -0.066 0.000 0.836 287 L CB 0.357 42.339 42.059 -0.128 0.000 1.105 287 L HN 0.507 nan 8.230 nan 0.000 0.477 288 D N 3.807 124.195 120.400 -0.020 0.000 2.608 288 D HA -0.040 4.600 4.640 -0.000 0.000 0.224 288 D C 1.389 177.709 176.300 0.033 0.000 1.123 288 D CA 0.177 54.177 54.000 -0.001 0.000 1.030 288 D CB 0.397 41.201 40.800 0.007 0.000 1.093 288 D HN 0.568 nan 8.370 nan 0.000 0.497 289 V N 3.447 123.370 119.914 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 2.195 64.524 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 0.433 nan 8.190 nan 0.000 0.449 290 D N -0.153 120.280 120.400 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 1.926 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 0.642 123.492 122.820 0.050 0.000 1.849 291 A HA -0.279 4.041 4.320 -0.000 0.000 0.217 291 A C 2.241 179.864 177.584 0.066 0.000 1.202 291 A CA 2.091 54.154 52.037 0.044 0.000 0.629 291 A CB -1.543 17.481 19.000 0.040 0.000 0.834 291 A HN 0.393 nan 8.150 nan 0.000 0.447 292 Y N 0.343 120.632 120.300 -0.018 0.000 1.997 292 Y HA -0.380 4.170 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 -0.730 37.719 38.460 -0.018 0.000 0.940 292 Y HN 0.488 nan 8.280 nan 0.000 0.494 293 Q N -0.328 119.478 119.800 0.011 0.000 1.975 293 Q HA -0.249 4.091 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 1.694 57.437 55.803 -0.100 0.000 0.845 293 Q CB -0.609 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 0.432 123.221 122.820 -0.052 0.000 1.927 294 A HA -0.243 4.077 4.320 -0.000 0.000 0.220 294 A C 2.106 179.644 177.584 -0.076 0.000 1.185 294 A CA 1.993 54.001 52.037 -0.048 0.000 0.639 294 A CB -0.892 18.095 19.000 -0.023 0.000 0.820 294 A HN 0.413 nan 8.150 nan 0.000 0.451 295 S N -1.637 114.005 115.700 -0.097 0.000 2.537 295 S HA 0.034 4.504 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 0.574 58.711 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 0.441 120.845 120.400 0.007 0.000 2.580 376 K HA 0.180 4.500 4.320 -0.000 0.000 0.258 376 K C -2.501 174.132 176.600 0.055 0.000 0.936 376 K CA -1.398 54.897 56.287 0.014 0.000 0.852 376 K CB 2.036 34.574 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 0.065 0.000 0.902 377 P CB -0.007 31.732 31.700 0.065 0.000 0.789 378 V N -1.494 118.524 119.914 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 -2.171 29.695 31.823 0.072 0.000 0.563 378 V HN 0.136 nan 8.190 nan 0.000 0.469 379 I N 0.365 120.940 120.570 0.008 0.000 2.442 379 I HA -0.261 3.909 4.170 -0.000 0.000 0.261 379 I C 1.722 177.834 176.117 -0.008 0.000 1.132 379 I CA 1.965 63.258 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 3.482 123.885 120.400 0.005 0.000 2.361 380 K HA 0.066 4.386 4.320 -0.000 0.000 0.283 380 K C -2.143 174.454 176.600 -0.005 0.000 1.078 380 K CA -1.095 55.193 56.287 0.002 0.000 1.041 380 K CB 0.190 32.697 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 0.646 32.366 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 -0.118 4.222 4.340 -0.000 0.000 0.292 382 L C 1.145 177.908 176.870 -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 40.981 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 0.732 175.235 174.700 -0.328 0.000 1.094 383 T CA 1.437 63.427 62.100 -0.184 0.000 1.127 383 T CB 0.223 69.034 68.868 -0.096 0.000 0.905 383 T HN 0.766 nan 8.240 nan 0.000 0.490 384 E N 0.164 120.117 120.200 -0.412 0.000 4.448 384 E HA 0.432 4.782 4.350 -0.000 0.000 0.159 384 E C -1.196 175.102 176.600 -0.503 0.000 1.117 384 E CA -0.706 55.444 56.400 -0.416 0.000 0.873 384 E CB 1.009 30.600 29.700 -0.182 0.000 1.896 384 E HN 0.248 nan 8.360 nan 0.000 0.412 385 D N -0.641 119.632 120.400 -0.212 0.000 2.871 385 D HA 0.071 4.711 4.640 -0.000 0.000 0.330 385 D C -0.846 175.433 176.300 -0.035 0.000 1.364 385 D CA -0.554 53.388 54.000 -0.096 0.000 0.759 385 D CB -0.327 40.487 40.800 0.023 0.000 1.325 385 D HN 0.193 nan 8.370 nan 0.000 0.452 386 S N -0.693 115.008 115.700 0.002 0.000 2.589 386 S HA 0.106 4.576 4.470 -0.000 0.000 0.256 386 S C 0.418 175.019 174.600 0.002 0.000 1.383 386 S CA 0.192 58.394 58.200 0.004 0.000 0.983 386 S CB -0.152 63.059 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 -0.668 175.922 176.600 -0.018 0.000 1.008 387 K CA 0.992 57.274 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 0.274 120.661 120.400 -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 1.007 121.501 120.500 -0.009 0.000 2.514 389 R HA 0.277 4.617 4.340 -0.000 0.000 0.301 389 R C 0.026 176.355 176.300 0.048 0.000 0.962 389 R CA -0.716 55.399 56.100 0.024 0.000 0.882 389 R CB 1.728 32.070 30.300 0.070 0.000 1.143 389 R HN 0.478 nan 8.270 nan 0.000 0.452 390 S N 1.522 117.251 115.700 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 0.201 0.000 1.309 390 S CA -0.563 57.667 58.200 0.049 0.000 1.043 390 S CB 0.526 63.729 63.200 0.005 0.000 0.939 390 S HN 0.565 nan 8.310 nan 0.000 0.504 391 Y N 2.009 122.280 120.300 -0.049 0.000 2.775 391 Y HA 0.297 4.847 4.550 -0.000 0.000 0.349 391 Y C 0.854 176.623 175.900 -0.217 0.000 1.094 391 Y CA -1.616 56.431 58.100 -0.089 0.000 1.467 391 Y CB -1.760 36.711 38.460 0.018 0.000 1.272 391 Y HN 0.735 nan 8.280 nan 0.000 0.515 392 N N 1.401 120.057 118.700 -0.075 0.000 2.770 392 N HA -0.240 4.500 4.740 -0.000 0.000 0.283 392 N C -0.526 174.933 175.510 -0.086 0.000 1.009 392 N CA 0.609 53.576 53.050 -0.138 0.000 0.828 392 N CB -0.507 37.803 38.487 -0.295 0.000 0.939 392 N HN 0.403 nan 8.380 nan 0.000 0.580 393 L N 1.468 122.690 121.223 -0.003 0.000 2.380 393 L HA 0.135 4.475 4.340 -0.000 0.000 0.273 393 L C 2.403 179.294 176.870 0.034 0.000 1.138 393 L CA -0.459 54.404 54.840 0.039 0.000 0.832 393 L CB 0.680 42.772 42.059 0.056 0.000 1.124 393 L HN 0.335 nan 8.230 nan 0.000 0.454 394 I N 0.522 121.130 120.570 0.064 0.000 2.185 394 I HA -0.189 3.981 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 1.267 62.605 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 0.700 nan 8.210 nan 0.000 0.415 395 S N -0.572 115.150 115.700 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 -0.789 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 1.267 119.970 118.700 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 1.392 54.442 53.050 0.000 0.000 0.907 396 N CB -0.357 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 0.147 120.544 120.400 -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 -0.741 40.047 40.800 -0.020 0.000 1.136 397 D HN -0.173 nan 8.370 nan 0.000 0.444 398 S N 0.660 116.340 115.700 -0.033 0.000 2.593 398 S HA -0.029 4.441 4.470 -0.000 0.000 0.303 398 S C 1.538 176.114 174.600 -0.039 0.000 1.267 398 S CA 0.669 58.828 58.200 -0.068 0.000 1.047 398 S CB 0.736 63.915 63.200 -0.034 0.000 0.777 398 S HN 0.460 nan 8.310 nan 0.000 0.498 399 T N 0.876 115.361 114.554 -0.115 0.000 3.081 399 T HA 0.211 4.561 4.350 -0.000 0.000 0.255 399 T C 0.391 175.224 174.700 0.221 0.000 1.113 399 T CA 0.100 62.200 62.100 0.000 0.000 1.082 399 T CB -0.274 68.559 68.868 -0.058 0.000 0.939 399 T HN 0.447 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 1.360 177.209 175.800 0.083 0.000 1.107 400 F CA -1.257 56.805 58.000 0.104 0.000 1.137 400 F CB 1.270 40.317 39.000 0.079 0.000 1.214 400 F HN 0.071 nan 8.300 nan 0.000 0.536 401 T N -0.902 113.815 114.554 0.273 0.000 2.936 401 T HA 0.195 4.545 4.350 -0.000 0.000 0.282 401 T C 0.322 175.070 174.700 0.081 0.000 1.003 401 T CA -0.712 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 -0.451 119.342 119.800 -0.010 0.000 2.472 402 Q HA 0.120 4.460 4.340 -0.000 0.000 0.208 402 Q C -0.454 175.650 176.000 0.173 0.000 0.958 402 Q CA 0.366 56.207 55.803 0.063 0.000 0.932 402 Q CB -0.130 28.595 28.738 -0.022 0.000 1.007 402 Q HN 0.663 nan 8.270 nan 0.000 0.508 403 Y N 0.887 121.207 120.300 0.032 0.000 2.480 403 Y HA 0.143 4.693 4.550 -0.000 0.000 0.341 403 Y C 0.298 176.159 175.900 -0.064 0.000 1.031 403 Y CA -0.700 57.377 58.100 -0.039 0.000 1.295 403 Y CB 0.455 38.794 38.460 -0.200 0.000 1.162 403 Y HN -0.100 nan 8.280 nan 0.000 0.523 404 R N 2.099 122.715 120.500 0.192 0.000 2.346 404 R HA 0.281 4.621 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 1.583 31.800 30.300 -0.139 0.000 1.100 404 R HN 0.495 nan 8.270 nan 0.000 0.453 405 S N 2.521 118.179 115.700 -0.070 0.000 2.454 405 S HA 0.157 4.627 4.470 -0.000 0.000 0.306 405 S C 0.402 175.071 174.600 0.114 0.000 1.100 405 S CA -0.815 57.393 58.200 0.013 0.000 1.087 405 S CB 0.548 63.752 63.200 0.006 0.000 1.019 405 S HN 0.748 nan 8.310 nan 0.000 0.480 406 W N 5.367 126.704 121.300 0.061 0.000 2.352 406 W HA -0.169 4.491 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 1.873 59.273 57.345 0.093 0.000 1.286 406 W CB -0.990 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 0.848 121.182 120.300 0.056 0.000 2.219 407 Y HA -0.357 4.193 4.550 -0.000 0.000 0.283 407 Y C 2.207 178.013 175.900 -0.158 0.000 1.191 407 Y CA 2.612 60.615 58.100 -0.160 0.000 1.199 407 Y CB -0.681 37.865 38.460 0.144 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 2.818 179.599 176.870 -0.149 0.000 1.073 408 L CA 1.021 55.821 54.840 -0.067 0.000 0.745 408 L CB -1.227 40.766 42.059 -0.110 0.000 0.900 408 L HN 0.239 nan 8.230 nan 0.000 0.435 409 A N -0.524 122.167 122.820 -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 1.858 53.759 52.037 -0.227 0.000 0.636 409 A CB -0.980 17.909 19.000 -0.185 0.000 0.815 409 A HN 0.472 nan 8.150 nan 0.000 0.449 410 Y N 2.040 121.936 120.300 -0.674 0.000 2.089 410 Y HA -0.256 4.294 4.550 -0.000 0.000 0.282 410 Y C 1.893 177.489 175.900 -0.506 0.000 1.139 410 Y CA 2.505 60.188 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 -2.664 115.791 118.700 -0.408 0.000 2.236 411 N HA -0.009 4.731 4.740 -0.000 0.000 0.196 411 N C 0.286 175.446 175.510 -0.583 0.000 1.114 411 N CA 0.515 53.268 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 0.123 120.243 120.300 -0.300 0.000 2.445 412 Y HA 0.477 5.027 4.550 -0.000 0.000 0.247 412 Y C 1.497 177.270 175.900 -0.212 0.000 1.129 412 Y CA -0.506 57.452 58.100 -0.238 0.000 1.251 412 Y CB 0.724 39.037 38.460 -0.246 0.000 1.176 412 Y HN 0.065 nan 8.280 nan 0.000 0.522 413 G N -0.788 107.939 108.800 -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 -1.121 173.702 174.900 -0.128 0.000 1.211 413 G CA -0.544 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 0.258 120.604 120.400 -0.089 0.000 2.554 414 D HA 0.032 4.672 4.640 -0.000 0.000 0.251 414 D C -1.160 175.075 176.300 -0.108 0.000 1.213 414 D CA -1.124 52.829 54.000 -0.079 0.000 0.900 414 D CB 1.368 42.141 40.800 -0.045 0.000 1.135 414 D HN -0.095 nan 8.370 nan 0.000 0.522 415 P HA -0.111 nan 4.420 nan 0.000 0.218 415 P C 1.094 178.330 177.300 -0.108 0.000 1.149 415 P CA 1.112 64.114 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 1.741 177.734 176.000 -0.010 0.000 0.957 416 Q CA 1.847 57.628 55.803 -0.037 0.000 0.857 416 Q CB -0.254 28.467 28.738 -0.029 0.000 0.929 416 Q HN 0.346 nan 8.270 nan 0.000 0.453 417 T N -4.071 110.479 114.554 -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 0.212 62.325 62.100 0.022 0.000 0.924 417 T CB 0.341 69.215 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 0.679 175.645 174.900 0.110 0.000 1.472 418 G CA -0.080 45.033 45.100 0.022 0.000 1.059 418 G HN 0.189 nan 8.290 nan 0.000 0.555 419 I N -0.252 120.345 120.570 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 0.313 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 -0.283 120.087 120.500 -0.218 0.000 2.303 420 R HA -0.158 4.182 4.340 -0.000 0.000 0.225 420 R C 2.215 178.401 176.300 -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 0.116 115.800 115.700 -0.026 0.000 2.406 421 S HA -0.069 4.401 4.470 -0.000 0.000 0.228 421 S C 1.071 175.795 174.600 0.208 0.000 1.020 421 S CA 0.872 59.127 58.200 0.092 0.000 0.965 421 S CB -0.063 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 1.979 123.298 121.300 0.033 0.000 2.252 422 W HA 0.406 5.066 4.660 -0.000 0.000 0.338 422 W C -0.450 176.101 176.519 0.053 0.000 0.914 422 W CA 0.102 57.464 57.345 0.028 0.000 1.754 422 W CB -1.235 28.226 29.460 0.001 0.000 1.135 422 W HN 0.279 nan 8.180 nan 0.000 0.531 423 T N -1.002 113.392 114.554 -0.266 0.000 2.896 423 T HA 0.717 5.067 4.350 -0.000 0.000 0.297 423 T C -1.452 173.345 174.700 0.162 0.000 1.108 423 T CA -0.677 61.301 62.100 -0.205 0.000 1.004 423 T CB 2.912 71.594 68.868 -0.309 0.000 1.159 423 T HN 0.166 nan 8.240 nan 0.000 0.499 424 L N 2.128 123.440 121.223 0.149 0.000 2.385 424 L HA 0.639 4.979 4.340 -0.000 0.000 0.273 424 L C -1.232 175.662 176.870 0.040 0.000 0.990 424 L CA -1.444 53.509 54.840 0.189 0.000 0.821 424 L CB 1.843 43.961 42.059 0.097 0.000 1.279 424 L HN 0.796 nan 8.230 nan 0.000 0.412 425 L N 5.223 126.312 121.223 -0.225 0.000 2.385 425 L HA 0.366 4.706 4.340 -0.000 0.000 0.281 425 L C -0.775 176.011 176.870 -0.139 0.000 1.106 425 L CA 0.369 55.005 54.840 -0.341 0.000 0.856 425 L CB 0.115 41.660 42.059 -0.857 0.000 1.186 425 L HN 0.641 nan 8.230 nan 0.000 0.453 426 C N 1.685 120.961 119.300 -0.040 0.000 2.913 426 C HA 0.582 5.042 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 58.191 59.018 0.018 0.000 1.649 426 C CB 1.729 29.474 27.740 0.009 0.000 2.139 426 C HN 0.800 nan 8.230 nan 0.000 0.475 427 T N 3.499 118.091 114.554 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 0.088 62.228 62.100 0.067 0.000 1.145 427 T CB 0.388 69.270 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 1.208 64.267 63.100 -0.068 0.000 0.942 428 P CB 0.077 31.716 31.700 -0.100 0.000 0.733 429 D N -2.377 117.989 120.400 -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 -0.622 40.151 40.800 -0.045 0.000 0.564 429 D HN 0.065 nan 8.370 nan 0.000 0.272 430 V N 2.473 122.361 119.914 -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 2.639 64.905 62.300 -0.057 0.000 1.053 430 V CB -1.127 30.684 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 1.418 176.084 174.700 -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 -0.281 118.977 119.300 -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 59.527 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 1.801 nan 8.230 nan 0.000 0.651 433 G N 0.031 108.805 108.800 -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 -0.480 174.415 174.900 -0.008 0.000 1.310 433 G CA 0.036 45.120 45.100 -0.026 0.000 1.160 433 G HN 0.850 nan 8.290 nan 0.000 0.598 434 S N 2.407 118.110 115.700 0.006 0.000 2.714 434 S HA 0.236 4.706 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 0.206 58.423 58.200 0.028 0.000 1.175 434 S CB 0.636 63.852 63.200 0.028 0.000 0.961 434 S HN 0.539 nan 8.310 nan 0.000 0.518 435 E N 2.373 122.600 120.200 0.045 0.000 2.222 435 E HA 0.395 4.745 4.350 -0.000 0.000 0.267 435 E C -0.298 176.361 176.600 0.098 0.000 0.963 435 E CA -0.835 55.599 56.400 0.055 0.000 0.837 435 E CB 1.345 31.051 29.700 0.010 0.000 1.183 435 E HN 0.586 nan 8.360 nan 0.000 0.403 436 Q N -0.372 119.514 119.800 0.143 0.000 2.248 436 Q HA 0.651 4.991 4.340 -0.000 0.000 0.263 436 Q C -0.298 175.848 176.000 0.242 0.000 1.007 436 Q CA -1.085 54.846 55.803 0.213 0.000 0.877 436 Q CB 1.464 30.369 28.738 0.278 0.000 1.315 436 Q HN 0.285 nan 8.270 nan 0.000 0.454 437 V N -2.220 117.858 119.914 0.274 0.000 2.769 437 V HA 0.634 4.754 4.120 -0.000 0.000 0.312 437 V C -1.243 175.109 176.094 0.431 0.000 1.061 437 V CA -0.942 61.491 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 1.184 121.483 120.300 -0.002 0.000 2.377 438 Y HA 0.578 5.128 4.550 -0.000 0.000 0.339 438 Y C -0.488 175.407 175.900 -0.010 0.000 1.011 438 Y CA -0.864 57.267 58.100 0.052 0.000 1.093 438 Y CB 2.101 40.603 38.460 0.069 0.000 1.201 438 Y HN 0.686 nan 8.280 nan 0.000 0.455 439 W N 1.207 122.557 121.300 0.082 0.000 2.390 439 W HA 0.589 5.249 4.660 -0.000 0.000 0.362 439 W C -0.710 175.777 176.519 -0.055 0.000 1.206 439 W CA -0.274 57.061 57.345 -0.017 0.000 1.355 439 W CB 1.666 31.039 29.460 -0.144 0.000 1.278 439 W HN 0.368 nan 8.180 nan 0.000 0.653 440 S N 0.738 116.566 115.700 0.213 0.000 2.563 440 S HA 0.487 4.957 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 -0.936 57.280 58.200 0.026 0.000 0.928 440 S CB 0.436 63.666 63.200 0.050 0.000 1.107 440 S HN 0.448 nan 8.310 nan 0.000 0.462 441 L N 1.767 122.906 121.223 -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 1.731 64.620 63.100 -0.351 0.000 0.915 442 P CB 0.123 31.373 31.700 -0.750 0.000 0.784 443 D N -2.982 117.290 120.400 -0.214 0.000 2.340 443 D HA 0.125 4.765 4.640 -0.000 0.000 0.217 443 D C 1.462 177.696 176.300 -0.110 0.000 1.081 443 D CA 0.373 54.290 54.000 -0.139 0.000 0.842 443 D CB 0.165 40.885 40.800 -0.133 0.000 0.934 443 D HN 0.308 nan 8.370 nan 0.000 0.511 444 M N -0.726 118.804 119.600 -0.116 0.000 2.180 444 M HA 0.095 4.575 4.480 -0.000 0.000 0.289 444 M C -0.783 175.470 176.300 -0.078 0.000 1.089 444 M CA 0.218 55.460 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 -0.243 nan 8.290 nan 0.000 0.636 445 M N 1.287 120.837 119.600 -0.082 0.000 2.644 445 M HA 0.444 4.924 4.480 -0.000 0.000 0.316 445 M C -0.496 175.779 176.300 -0.042 0.000 1.200 445 M CA -0.379 54.885 55.300 -0.060 0.000 0.944 445 M CB 1.217 33.770 32.600 -0.077 0.000 1.691 445 M HN 0.078 nan 8.290 nan 0.000 0.471 446 Q N 0.982 120.772 119.800 -0.017 0.000 2.354 446 Q HA 0.173 4.513 4.340 -0.000 0.000 0.244 446 Q C -0.879 175.121 176.000 -0.000 0.000 0.969 446 Q CA -0.306 55.497 55.803 -0.001 0.000 0.885 446 Q CB 0.787 29.532 28.738 0.012 0.000 1.241 446 Q HN 0.444 nan 8.270 nan 0.000 0.461 447 D N 3.548 123.963 120.400 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 0.112 0.000 1.237 447 D CA -1.326 52.707 54.000 0.055 0.000 0.883 447 D CB 0.234 41.091 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 1.214 178.690 177.300 0.295 0.000 1.163 448 P CA -0.038 63.182 63.100 0.200 0.000 0.760 448 P CB 0.667 32.483 31.700 0.193 0.000 0.762 449 V N 2.827 122.833 119.914 0.152 0.000 2.275 449 V HA -0.428 3.692 4.120 -0.000 0.000 0.165 449 V C 1.882 178.017 176.094 0.068 0.000 0.956 449 V CA 2.961 65.315 62.300 0.089 0.000 1.690 449 V CB -2.417 29.440 31.823 0.057 0.000 1.014 449 V HN 0.799 nan 8.190 nan 0.000 0.453 450 T N -2.830 111.729 114.554 0.007 0.000 3.069 450 T HA 0.372 4.722 4.350 -0.000 0.000 0.252 450 T C 0.018 174.634 174.700 -0.140 0.000 1.053 450 T CA -0.134 61.910 62.100 -0.093 0.000 0.964 450 T CB -0.299 68.462 68.868 -0.179 0.000 1.005 450 T HN 0.234 nan 8.240 nan 0.000 0.532 451 F N 3.209 123.182 119.950 0.039 0.000 2.410 451 F HA 0.461 4.988 4.527 -0.000 0.000 0.334 451 F C 1.125 176.953 175.800 0.048 0.000 1.134 451 F CA -1.201 56.831 58.000 0.052 0.000 1.227 451 F CB 0.799 39.841 39.000 0.069 0.000 1.194 451 F HN 0.058 nan 8.300 nan 0.000 0.571 452 R N 0.073 120.710 120.500 0.228 0.000 2.664 452 R HA 0.661 5.001 4.340 -0.000 0.000 0.286 452 R C -0.961 175.441 176.300 0.170 0.000 0.967 452 R CA -0.937 55.253 56.100 0.150 0.000 0.933 452 R CB 1.270 31.625 30.300 0.092 0.000 1.146 452 R HN 0.639 nan 8.270 nan 0.000 0.468 453 S N 1.027 116.807 115.700 0.132 0.000 2.548 453 S HA 0.263 4.733 4.470 -0.000 0.000 0.277 453 S C 0.027 174.706 174.600 0.131 0.000 1.315 453 S CA -0.387 57.893 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 0.154 174.979 174.700 0.209 0.000 1.126 454 T CA -0.034 62.149 62.100 0.138 0.000 1.040 454 T CB 0.904 69.819 68.868 0.078 0.000 1.472 454 T HN 0.890 nan 8.240 nan 0.000 0.500 455 S N -0.043 115.725 115.700 0.114 0.000 2.819 455 S HA 0.267 4.737 4.470 -0.000 0.000 0.249 455 S C 0.309 174.857 174.600 -0.086 0.000 1.030 455 S CA -0.381 57.910 58.200 0.151 0.000 1.052 455 S CB -0.072 63.195 63.200 0.112 0.000 1.017 455 S HN 0.683 nan 8.310 nan 0.000 0.576 456 Q N 2.205 121.862 119.800 -0.238 0.000 2.472 456 Q HA 0.270 4.610 4.340 -0.000 0.000 0.227 456 Q C 0.925 176.496 176.000 -0.715 0.000 1.156 456 Q CA -0.522 55.086 55.803 -0.324 0.000 0.924 456 Q CB -0.046 28.587 28.738 -0.175 0.000 1.354 456 Q HN 0.452 nan 8.270 nan 0.000 0.525 457 I N 1.331 121.411 120.570 -0.818 0.000 2.292 457 I HA -0.389 3.781 4.170 -0.000 0.000 0.255 457 I C 1.445 177.212 176.117 -0.584 0.000 1.078 457 I CA 1.999 62.747 61.300 -0.920 0.000 1.365 457 I CB -1.361 36.488 38.000 -0.252 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 0.231 4.701 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 -1.084 62.053 63.200 -0.105 0.000 0.776 458 S HN 0.777 nan 8.310 nan 0.000 0.467 459 N N -0.541 118.041 118.700 -0.198 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 0.071 0.000 1.395 459 N CA -0.256 52.776 53.050 -0.031 0.000 0.737 459 N CB 0.296 38.767 38.487 -0.026 0.000 1.155 459 N HN 0.147 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 -1.665 174.123 175.800 -0.020 0.000 1.180 460 F CA -0.902 57.107 58.000 0.015 0.000 1.383 460 F CB -0.302 38.692 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 -0.971 176.093 177.300 -0.394 0.000 1.231 461 P CA -0.193 62.748 63.100 -0.266 0.000 0.790 461 P CB 0.730 32.340 31.700 -0.150 0.000 0.951 462 V N 2.500 121.887 119.914 -0.879 0.000 2.532 462 V HA 0.217 4.337 4.120 -0.000 0.000 0.295 462 V C 1.203 177.093 176.094 -0.340 0.000 1.041 462 V CA -0.119 61.938 62.300 -0.405 0.000 0.926 462 V CB 1.625 33.301 31.823 -0.244 0.000 0.992 462 V HN 0.494 nan 8.190 nan 0.000 0.457 463 V N 0.133 119.950 119.914 -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 62.784 62.300 -0.154 0.000 1.018 463 V CB 0.366 32.097 31.823 -0.154 0.000 0.818 463 V HN 0.998 nan 8.190 nan 0.000 0.436 464 G N -0.281 108.434 108.800 -0.142 0.000 2.755 464 G HA2 0.757 4.717 3.960 -0.000 0.000 0.297 464 G HA3 0.757 4.717 3.960 -0.000 0.000 0.297 464 G C -1.181 173.765 174.900 0.077 0.000 1.441 464 G CA 0.021 45.008 45.100 -0.188 0.000 0.964 464 G HN 0.823 nan 8.290 nan 0.000 0.540 465 A N 0.971 123.881 122.820 0.151 0.000 2.356 465 A HA 0.987 5.307 4.320 -0.000 0.000 0.323 465 A C -0.363 177.408 177.584 0.313 0.000 1.119 465 A CA -0.585 51.528 52.037 0.127 0.000 0.790 465 A CB 2.034 20.958 19.000 -0.126 0.000 1.273 465 A HN 1.118 nan 8.150 nan 0.000 0.452 466 E N 1.462 121.850 120.200 0.313 0.000 2.378 466 E HA 0.398 4.748 4.350 -0.000 0.000 0.283 466 E C -1.951 174.792 176.600 0.238 0.000 0.979 466 E CA -0.758 55.824 56.400 0.303 0.000 0.795 466 E CB 1.163 31.143 29.700 0.467 0.000 1.221 466 E HN 0.573 nan 8.360 nan 0.000 0.428 467 L N 3.308 124.645 121.223 0.189 0.000 2.456 467 L HA 0.184 4.524 4.340 -0.000 0.000 0.272 467 L C -0.380 176.593 176.870 0.171 0.000 1.189 467 L CA -0.175 54.763 54.840 0.165 0.000 0.846 467 L CB 0.729 42.872 42.059 0.140 0.000 1.111 467 L HN 0.619 nan 8.230 nan 0.000 0.475 468 L N 8.220 129.532 121.223 0.147 0.000 2.456 468 L HA 0.299 4.639 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 -1.508 53.412 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 0.613 63.799 63.100 0.143 0.000 1.195 469 P CB -0.410 31.382 31.700 0.153 0.000 1.599 470 V N 1.585 121.620 119.914 0.201 0.000 2.711 470 V HA 0.335 4.455 4.120 -0.000 0.000 0.304 470 V C -0.137 176.187 176.094 0.383 0.000 1.097 470 V CA -0.728 61.691 62.300 0.198 0.000 0.906 470 V CB 1.945 33.846 31.823 0.131 0.000 1.015 470 V HN 0.343 nan 8.190 nan 0.000 0.427 471 H N 1.113 120.220 119.070 0.063 0.000 2.797 471 H HA 0.577 5.133 4.556 -0.000 0.000 0.362 471 H C -0.666 174.689 175.328 0.045 0.000 1.183 471 H CA -0.968 55.107 56.048 0.045 0.000 1.197 471 H CB 2.317 32.102 29.762 0.038 0.000 1.835 471 H HN 0.561 nan 8.280 nan 0.000 0.567 472 S N 1.970 117.741 115.700 0.119 0.000 2.488 472 S HA 0.109 4.579 4.470 -0.000 0.000 0.310 472 S C 0.007 174.636 174.600 0.048 0.000 1.093 472 S CA -0.660 57.584 58.200 0.073 0.000 1.129 472 S CB 0.265 63.477 63.200 0.020 0.000 0.989 472 S HN 0.267 nan 8.310 nan 0.000 0.479 473 K N 2.102 122.544 120.400 0.070 0.000 2.249 473 K HA 0.375 4.695 4.320 -0.000 0.000 0.280 473 K C -0.274 176.251 176.600 -0.124 0.000 1.033 473 K CA -0.070 56.179 56.287 -0.063 0.000 0.946 473 K CB 1.101 33.588 32.500 -0.022 0.000 1.005 473 K HN 0.437 nan 8.250 nan 0.000 0.469 474 S N 3.095 118.599 115.700 -0.327 0.000 2.482 474 S HA 0.634 5.104 4.470 -0.000 0.000 0.303 474 S C -0.845 173.491 174.600 -0.440 0.000 1.091 474 S CA -0.610 57.467 58.200 -0.206 0.000 1.057 474 S CB 0.571 63.716 63.200 -0.091 0.000 1.031 474 S HN 0.353 nan 8.310 nan 0.000 0.485 475 F N 0.953 120.926 119.950 0.038 0.000 2.654 475 F HA 0.555 5.082 4.527 -0.000 0.000 0.334 475 F C -0.686 175.175 175.800 0.101 0.000 1.078 475 F CA -1.078 56.959 58.000 0.062 0.000 0.986 475 F CB 0.933 39.953 39.000 0.035 0.000 1.362 475 F HN 0.496 nan 8.300 nan 0.000 0.498 476 Y N 2.261 122.687 120.300 0.210 0.000 2.331 476 Y HA 0.404 4.954 4.550 -0.000 0.000 0.334 476 Y C -0.740 175.210 175.900 0.082 0.000 0.960 476 Y CA -1.154 57.006 58.100 0.100 0.000 1.130 476 Y CB 0.997 39.490 38.460 0.055 0.000 1.164 476 Y HN 0.534 nan 8.280 nan 0.000 0.458 477 N N 3.689 122.160 118.700 -0.382 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 0.582 38.997 38.487 -0.120 0.000 1.191 477 N HN 0.627 nan 8.380 nan 0.000 0.511 478 D N 0.571 120.753 120.400 -0.363 0.000 2.384 478 D HA -0.098 4.542 4.640 -0.000 0.000 0.222 478 D C 1.103 177.365 176.300 -0.064 0.000 0.976 478 D CA 0.784 54.663 54.000 -0.201 0.000 0.915 478 D CB 0.415 41.286 40.800 0.118 0.000 0.896 478 D HN 0.416 nan 8.370 nan 0.000 0.523 479 Q N -0.073 119.704 119.800 -0.038 0.000 2.500 479 Q HA 0.040 4.380 4.340 -0.000 0.000 0.213 479 Q C 0.546 176.581 176.000 0.058 0.000 0.974 479 Q CA 0.147 55.977 55.803 0.044 0.000 0.918 479 Q CB -0.251 28.511 28.738 0.040 0.000 0.980 479 Q HN 0.188 nan 8.270 nan 0.000 0.505 480 A N 0.126 122.934 122.820 -0.019 0.000 2.440 480 A HA 0.295 4.615 4.320 -0.000 0.000 0.251 480 A C 1.221 178.826 177.584 0.034 0.000 1.089 480 A CA 0.079 52.104 52.037 -0.020 0.000 0.779 480 A CB 0.511 19.462 19.000 -0.082 0.000 1.022 480 A HN 0.136 nan 8.150 nan 0.000 0.492 481 V N 0.461 120.397 119.914 0.037 0.000 2.070 481 V HA -0.334 3.786 4.120 -0.000 0.000 0.100 481 V C 1.034 177.192 176.094 0.107 0.000 0.533 481 V CA 2.598 64.930 62.300 0.054 0.000 1.406 481 V CB -2.707 29.144 31.823 0.047 0.000 1.610 481 V HN 1.169 nan 8.190 nan 0.000 0.921 482 Y N -0.603 119.705 120.300 0.013 0.000 2.498 482 Y HA 0.313 4.863 4.550 -0.000 0.000 0.259 482 Y C 2.104 178.026 175.900 0.037 0.000 1.086 482 Y CA 1.561 59.678 58.100 0.029 0.000 1.287 482 Y CB 0.861 39.334 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 0.148 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 0.358 120.171 119.800 0.022 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 1.978 57.785 55.803 0.007 0.000 0.867 484 Q CB -0.505 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 2.191 179.172 176.870 0.184 0.000 1.073 485 L CA 1.785 56.657 54.840 0.053 0.000 0.748 485 L CB -0.211 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 -1.631 118.993 120.570 0.090 0.000 2.703 486 I HA -0.096 4.074 4.170 -0.000 0.000 0.259 486 I C 2.551 178.776 176.117 0.179 0.000 1.151 486 I CA 0.362 61.765 61.300 0.172 0.000 1.470 486 I CB -0.296 37.727 38.000 0.039 0.000 1.112 486 I HN 0.221 nan 8.210 nan 0.000 0.437 487 R N 1.297 121.847 120.500 0.084 0.000 2.105 487 R HA -0.229 4.111 4.340 -0.000 0.000 0.239 487 R C 2.166 178.468 176.300 0.003 0.000 1.135 487 R CA 1.736 57.859 56.100 0.038 0.000 0.967 487 R CB -0.118 30.184 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 2.170 488 Q HA -0.170 4.170 4.340 -0.000 0.000 0.203 488 Q C 1.715 177.467 176.000 -0.414 0.000 0.976 488 Q CA 1.672 57.318 55.803 -0.262 0.000 0.858 488 Q CB -0.017 28.520 28.738 -0.335 0.000 0.907 488 Q HN 0.375 nan 8.270 nan 0.000 0.433 489 F N -0.737 119.157 119.950 -0.094 0.000 2.335 489 F HA -0.048 4.479 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 0.855 58.809 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 -0.349 114.284 114.554 0.132 0.000 2.708 490 T HA -0.134 4.216 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 1.417 63.557 62.100 0.067 0.000 1.146 490 T CB -0.589 68.310 68.868 0.052 0.000 0.865 490 T HN 0.227 nan 8.240 nan 0.000 0.435 491 S N 1.964 117.656 115.700 -0.013 0.000 2.474 491 S HA 0.338 4.808 4.470 -0.000 0.000 0.276 491 S C 0.948 175.497 174.600 -0.085 0.000 1.227 491 S CA -0.561 57.621 58.200 -0.029 0.000 1.050 491 S CB 0.391 63.586 63.200 -0.008 0.000 0.939 491 S HN 0.318 nan 8.310 nan 0.000 0.490 492 L N 2.383 123.572 121.223 -0.056 0.000 2.642 492 L HA 0.027 4.367 4.340 -0.000 0.000 0.236 492 L C 0.475 177.270 176.870 -0.126 0.000 1.169 492 L CA 0.399 55.197 54.840 -0.069 0.000 0.851 492 L CB -1.209 40.836 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 -0.359 174.179 174.700 -0.270 0.000 1.073 493 T CA -0.580 61.409 62.100 -0.185 0.000 0.999 493 T CB 1.514 70.329 68.868 -0.087 0.000 1.098 493 T HN -0.006 nan 8.240 nan 0.000 0.477 494 H N 0.749 119.769 119.070 -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 -0.636 29.079 29.762 -0.079 0.000 1.453 494 H HN 0.276 nan 8.280 nan 0.000 0.514 495 V N -0.491 119.358 119.914 -0.109 0.000 2.380 495 V HA -0.299 3.821 4.120 -0.000 0.000 0.251 495 V C 1.497 177.333 176.094 -0.430 0.000 1.063 495 V CA 1.856 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 -0.384 119.530 119.950 -0.060 0.000 2.569 496 F HA 0.140 4.667 4.527 -0.000 0.000 0.295 496 F C 1.928 177.649 175.800 -0.131 0.000 1.115 496 F CA 0.852 58.797 58.000 -0.092 0.000 1.450 496 F CB -0.218 38.738 39.000 -0.074 0.000 1.107 496 F HN 0.161 nan 8.300 nan 0.000 0.563 497 N N 0.391 119.129 118.700 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 0.006 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 0.354 0.000 1.180 498 R CA 1.468 57.544 56.100 -0.041 0.000 1.020 498 R CB -0.571 29.605 30.300 -0.208 0.000 0.885 498 R HN 0.394 nan 8.270 nan 0.000 0.488 499 F N 0.648 120.608 119.950 0.016 0.000 2.798 499 F HA 0.252 4.779 4.527 -0.000 0.000 0.333 499 F C -1.461 174.357 175.800 0.030 0.000 1.324 499 F CA -2.280 55.732 58.000 0.019 0.000 1.183 499 F CB 0.891 39.905 39.000 0.023 0.000 1.132 499 F HN -0.144 nan 8.300 nan 0.000 0.521 500 P HA -0.139 nan 4.420 nan 0.000 0.261 500 P C -0.045 177.318 177.300 0.106 0.000 1.277 500 P CA 1.258 64.414 63.100 0.094 0.000 0.748 500 P CB 0.154 31.861 31.700 0.012 0.000 1.062 501 E N -1.274 119.014 120.200 0.147 0.000 2.520 501 E HA 0.046 4.396 4.350 -0.000 0.000 0.201 501 E C 0.857 177.583 176.600 0.210 0.000 0.894 501 E CA -0.256 56.230 56.400 0.143 0.000 1.161 501 E CB -0.861 28.906 29.700 0.112 0.000 1.137 501 E HN 0.041 nan 8.360 nan 0.000 0.510 502 N N 2.581 121.429 118.700 0.247 0.000 2.374 502 N HA -0.107 4.633 4.740 -0.000 0.000 0.269 502 N C 0.498 176.152 175.510 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 39.287 38.487 0.267 0.000 1.096 502 N HN 0.090 nan 8.380 nan 0.000 0.484 503 Q N 2.840 122.801 119.800 0.267 0.000 2.368 503 Q HA -0.106 4.234 4.340 -0.000 0.000 0.210 503 Q C 1.096 177.272 176.000 0.293 0.000 0.982 503 Q CA 1.053 57.035 55.803 0.299 0.000 0.884 503 Q CB 0.170 29.149 28.738 0.403 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 1.909 178.035 176.117 0.015 0.000 1.041 504 I CA 0.484 61.761 61.300 -0.037 0.000 1.478 504 I CB -0.844 36.982 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 0.118 55.033 54.840 0.126 0.000 0.822 505 L CB -1.464 40.863 42.059 0.447 0.000 0.952 505 L HN 0.277 nan 8.230 nan 0.000 0.455 506 A N 0.746 123.638 122.820 0.121 0.000 2.407 506 A HA 0.083 4.403 4.320 -0.000 0.000 0.257 506 A C 0.833 178.440 177.584 0.038 0.000 1.131 506 A CA -0.083 52.011 52.037 0.096 0.000 0.803 506 A CB 0.040 19.113 19.000 0.122 0.000 1.083 506 A HN 0.357 nan 8.150 nan 0.000 0.512 507 R N 0.439 120.957 120.500 0.030 0.000 2.216 507 R HA 0.322 4.662 4.340 -0.000 0.000 0.332 507 R C -2.605 173.700 176.300 0.009 0.000 1.056 507 R CA -1.556 54.552 56.100 0.014 0.000 0.901 507 R CB 0.121 30.435 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 62.547 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 -0.751 176.523 177.300 -0.044 0.000 1.218 509 P CA -0.001 63.081 63.100 -0.030 0.000 0.780 509 P CB 0.447 32.133 31.700 -0.023 0.000 0.901 510 A N 4.883 127.676 122.820 -0.045 0.000 2.409 510 A HA 0.476 4.796 4.320 -0.000 0.000 0.262 510 A C -2.079 175.467 177.584 -0.063 0.000 1.113 510 A CA -1.336 50.661 52.037 -0.066 0.000 0.790 510 A CB -0.590 18.369 19.000 -0.068 0.000 1.046 510 A HN 0.407 nan 8.150 nan 0.000 0.496 511 P HA 0.249 nan 4.420 nan 0.000 0.282 511 P C -0.109 177.122 177.300 -0.116 0.000 1.249 511 P CA -0.118 62.935 63.100 -0.077 0.000 0.806 511 P CB 0.952 32.607 31.700 -0.074 0.000 0.984 512 T N -0.287 114.176 114.554 -0.151 0.000 2.919 512 T HA 0.353 4.703 4.350 -0.000 0.000 0.302 512 T C 0.522 175.112 174.700 -0.184 0.000 1.031 512 T CA -0.306 61.621 62.100 -0.288 0.000 1.127 512 T CB -0.483 68.162 68.868 -0.371 0.000 0.952 512 T HN 0.327 nan 8.240 nan 0.000 0.540 513 I N 0.979 121.446 120.570 -0.172 0.000 6.568 513 I HA -0.158 4.012 4.170 -0.000 0.000 0.126 513 I C 0.766 176.888 176.117 0.008 0.000 1.827 513 I CA 0.581 61.877 61.300 -0.007 0.000 2.037 513 I CB -2.204 35.812 38.000 0.028 0.000 3.509 513 I HN 1.126 nan 8.210 nan 0.000 0.169 514 T N 0.807 115.391 114.554 0.049 0.000 2.918 514 T HA 0.857 5.207 4.350 -0.000 0.000 0.283 514 T C 0.335 175.117 174.700 0.136 0.000 1.001 514 T CA -0.607 61.521 62.100 0.047 0.000 1.041 514 T CB 1.889 70.764 68.868 0.012 0.000 1.028 514 T HN 0.423 nan 8.240 nan 0.000 0.511 515 T N 0.891 115.500 114.554 0.092 0.000 2.912 515 T HA 0.674 5.024 4.350 -0.000 0.000 0.288 515 T C -0.854 173.930 174.700 0.140 0.000 1.030 515 T CA -0.702 61.471 62.100 0.121 0.000 1.020 515 T CB 1.617 70.513 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 0.419 4.539 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 2.183 34.126 31.823 0.200 0.000 1.015 516 V HN 1.118 nan 8.190 nan 0.000 0.427 517 S N 3.321 119.163 115.700 0.237 0.000 2.549 517 S HA 0.445 4.915 4.470 -0.000 0.000 0.283 517 S C -0.369 174.361 174.600 0.216 0.000 1.320 517 S CA -0.152 58.178 58.200 0.217 0.000 1.058 517 S CB 1.039 64.365 63.200 0.210 0.000 0.882 517 S HN 0.883 nan 8.310 nan 0.000 0.498 518 E N 2.317 122.615 120.200 0.162 0.000 2.275 518 E HA 0.238 4.588 4.350 -0.000 0.000 0.270 518 E C -1.086 175.571 176.600 0.094 0.000 0.882 518 E CA -0.712 55.754 56.400 0.109 0.000 0.758 518 E CB 1.071 30.838 29.700 0.110 0.000 1.195 518 E HN 0.764 nan 8.360 nan 0.000 0.419 519 N N 2.312 121.060 118.700 0.080 0.000 2.529 519 N HA 0.278 5.018 4.740 -0.000 0.000 0.278 519 N C -1.283 174.294 175.510 0.112 0.000 1.146 519 N CA -0.003 53.103 53.050 0.094 0.000 0.980 519 N CB 1.897 40.432 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 0.435 4.555 4.120 -0.000 0.000 0.308 520 V C -2.370 173.782 176.094 0.096 0.000 1.099 520 V CA -1.901 60.421 62.300 0.036 0.000 0.920 520 V CB 2.559 34.272 31.823 -0.183 0.000 1.014 520 V HN 0.546 nan 8.190 nan 0.000 0.425 521 P HA 0.290 nan 4.420 nan 0.000 0.268 521 P C -0.957 176.346 177.300 0.005 0.000 1.205 521 P CA -0.089 62.964 63.100 -0.078 0.000 0.771 521 P CB 1.316 32.824 31.700 -0.321 0.000 0.858 522 A N 4.600 127.467 122.820 0.079 0.000 2.323 522 A HA 0.417 4.737 4.320 -0.000 0.000 0.305 522 A C 0.040 177.678 177.584 0.089 0.000 1.275 522 A CA -0.751 51.337 52.037 0.085 0.000 0.804 522 A CB 0.171 19.252 19.000 0.135 0.000 1.152 522 A HN 0.525 nan 8.150 nan 0.000 0.487 523 L N 3.295 124.545 121.223 0.045 0.000 2.387 523 L HA 0.185 4.525 4.340 -0.000 0.000 0.267 523 L C 1.016 177.891 176.870 0.007 0.000 1.197 523 L CA -0.051 54.805 54.840 0.027 0.000 1.070 523 L CB 0.232 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 0.736 115.294 114.554 0.007 0.000 2.824 524 T HA 0.183 4.533 4.350 -0.000 0.000 0.277 524 T C -0.606 173.977 174.700 -0.196 0.000 0.975 524 T CA -0.415 61.635 62.100 -0.083 0.000 0.966 524 T CB 1.125 69.955 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 -0.840 175.206 176.300 -0.422 0.000 1.365 525 D CA -0.411 53.402 54.000 -0.313 0.000 0.976 525 D CB 0.682 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 0.964 176.249 175.328 -0.072 0.000 1.304 526 H CA -0.339 55.654 56.048 -0.091 0.000 1.393 526 H CB 1.089 30.762 29.762 -0.148 0.000 1.591 526 H HN 0.439 nan 8.280 nan 0.000 0.595 527 G N -0.351 108.488 108.800 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 -0.321 174.586 174.900 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 61.907 62.100 0.005 0.000 1.135 528 T CB 0.661 69.535 68.868 0.009 0.000 0.936 528 T HN 0.283 nan 8.240 nan 0.000 0.539 529 L N 3.444 124.667 121.223 0.000 0.000 2.354 529 L HA 0.527 4.867 4.340 -0.000 0.000 0.264 529 L C -2.485 174.392 176.870 0.012 0.000 1.008 529 L CA -3.050 51.787 54.840 -0.004 0.000 0.819 529 L CB 2.464 44.504 42.059 -0.032 0.000 1.339 529 L HN 0.403 nan 8.230 nan 0.000 0.420 530 P HA 0.232 nan 4.420 nan 0.000 0.269 530 P C -1.032 176.291 177.300 0.039 0.000 1.209 530 P CA 0.034 63.158 63.100 0.039 0.000 0.776 530 P CB 0.609 32.321 31.700 0.019 0.000 0.876 531 L N 2.087 123.359 121.223 0.081 0.000 2.286 531 L HA 0.559 4.899 4.340 -0.000 0.000 0.265 531 L C 0.812 177.718 176.870 0.060 0.000 1.012 531 L CA -1.152 53.717 54.840 0.048 0.000 0.818 531 L CB 1.435 43.520 42.059 0.043 0.000 1.337 531 L HN 0.208 nan 8.230 nan 0.000 0.438 532 R N 0.466 120.973 120.500 0.012 0.000 2.459 532 R HA 0.209 4.549 4.340 -0.000 0.000 0.281 532 R C -0.099 176.199 176.300 -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 -0.098 118.616 118.700 0.024 0.000 2.515 533 N HA -0.065 4.675 4.740 -0.000 0.000 0.191 533 N C -0.653 174.812 175.510 -0.075 0.000 1.182 533 N CA 0.287 53.322 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 0.448 nan 8.380 nan 0.000 0.453 534 S N -0.245 115.421 115.700 -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 0.175 63.357 63.200 -0.030 0.000 1.106 534 S HN 0.036 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 -0.391 60.862 61.300 -0.078 0.000 1.324 535 I CB 0.722 38.659 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 0.178 4.138 3.960 -0.000 0.000 0.238 536 G HA3 0.178 4.138 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 -0.329 108.455 108.800 -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 1.429 nan 8.290 nan 0.000 0.554 538 V N -2.243 117.656 119.914 -0.024 0.000 2.409 538 V HA 0.662 4.782 4.120 -0.000 0.000 0.291 538 V C -1.034 175.030 176.094 -0.050 0.000 1.020 538 V CA -1.274 61.012 62.300 -0.024 0.000 0.848 538 V CB 1.768 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 3.121 122.880 119.800 -0.068 0.000 2.257 539 Q HA 0.564 4.904 4.340 -0.000 0.000 0.262 539 Q C -0.701 175.205 176.000 -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 0.655 121.031 120.500 -0.206 0.000 2.387 540 R HA 0.547 4.887 4.340 -0.000 0.000 0.314 540 R C -1.193 174.901 176.300 -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 3.442 123.051 119.914 -0.509 0.000 2.547 541 V HA 0.524 4.644 4.120 -0.000 0.000 0.299 541 V C -0.334 175.579 176.094 -0.301 0.000 1.040 541 V CA -0.408 61.614 62.300 -0.463 0.000 0.913 541 V CB 2.073 33.423 31.823 -0.788 0.000 0.992 541 V HN 0.857 nan 8.190 nan 0.000 0.449 542 T N 5.434 119.941 114.554 -0.079 0.000 3.293 542 T HA 0.504 4.854 4.350 -0.000 0.000 0.320 542 T C -0.725 173.970 174.700 -0.009 0.000 0.995 542 T CA -0.187 61.920 62.100 0.011 0.000 1.041 542 T CB 0.702 69.645 68.868 0.124 0.000 1.058 542 T HN 0.386 nan 8.240 nan 0.000 0.453 543 I N 3.615 124.123 120.570 -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 60.707 61.300 -0.265 0.000 1.227 543 I CB 1.619 39.337 38.000 -0.471 0.000 1.368 543 I HN 0.507 nan 8.210 nan 0.000 0.466 544 T N 3.682 118.190 114.554 -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 -0.598 119.754 120.400 -0.080 0.000 2.506 545 D HA 0.501 5.141 4.640 -0.000 0.000 0.254 545 D C 1.480 177.634 176.300 -0.243 0.000 1.089 545 D CA -0.547 53.404 54.000 -0.083 0.000 1.050 545 D CB 1.120 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 0.475 123.186 122.820 -0.181 0.000 1.915 546 A HA -0.266 4.054 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 1.776 53.698 52.037 -0.191 0.000 0.647 546 A CB -0.707 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 -1.888 118.538 120.500 -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 -0.062 55.995 56.100 -0.073 0.000 1.054 547 R CB 0.226 30.497 30.300 -0.048 0.000 0.985 547 R HN 0.299 nan 8.270 nan 0.000 0.489 548 R N 1.165 121.592 120.500 -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 0.695 56.737 56.100 -0.098 0.000 0.724 548 R CB -1.700 28.555 30.300 -0.074 0.000 2.060 548 R HN 0.629 nan 8.270 nan 0.000 0.470 549 R N -2.069 118.423 120.500 -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 0.016 0.000 0.927 549 R CB 0.593 30.935 30.300 0.070 0.000 1.258 549 R HN 0.252 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 -0.004 4.346 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 -0.231 61.836 62.100 -0.054 0.000 1.118 550 T CB 0.676 69.505 68.868 -0.066 0.000 1.025 550 T HN 0.708 nan 8.240 nan 0.000 0.549 551 C N 5.675 124.895 119.300 -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 0.151 27.910 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 0.201 177.195 177.300 -0.511 0.000 1.146 552 P CA 1.565 64.344 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 -1.501 118.703 120.300 -0.161 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 -0.374 57.688 58.100 -0.063 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 0.655 120.593 119.914 0.040 0.000 2.383 554 V HA -0.017 4.103 4.120 -0.000 0.000 0.275 554 V C 0.453 176.628 176.094 0.135 0.000 1.036 554 V CA -0.613 61.734 62.300 0.078 0.000 0.889 554 V CB 0.763 32.616 31.823 0.049 0.000 0.985 554 V HN 0.330 nan 8.190 nan 0.000 0.459 555 Y N 4.772 125.101 120.300 0.048 0.000 2.479 555 Y HA 0.428 4.978 4.550 -0.000 0.000 0.283 555 Y C 0.703 176.764 175.900 0.268 0.000 1.109 555 Y CA 0.347 58.526 58.100 0.132 0.000 1.239 555 Y CB 0.460 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 1.269 121.541 120.400 -0.214 0.000 2.553 556 K HA 0.703 5.023 4.320 -0.000 0.000 0.250 556 K C -1.984 174.559 176.600 -0.096 0.000 0.953 556 K CA -0.339 55.715 56.287 -0.387 0.000 0.800 556 K CB 1.668 33.886 32.500 -0.470 0.000 1.243 556 K HN 0.165 nan 8.250 nan 0.000 0.435 557 A N 3.529 126.282 122.820 -0.113 0.000 2.455 557 A HA 0.848 5.168 4.320 -0.000 0.000 0.300 557 A C -1.831 175.877 177.584 0.207 0.000 1.040 557 A CA -0.612 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 -0.787 120.620 121.223 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 1.352 nan 8.230 nan 0.000 0.418 559 G N 1.159 110.016 108.800 0.094 0.000 2.672 559 G HA2 0.819 4.779 3.960 -0.000 0.000 0.292 559 G HA3 0.819 4.779 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 -0.854 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 0.804 121.357 120.570 -0.029 0.000 2.436 560 I HA 0.408 4.578 4.170 -0.000 0.000 0.289 560 I C -0.570 175.470 176.117 -0.128 0.000 1.010 560 I CA -0.975 60.290 61.300 -0.058 0.000 1.098 560 I CB 2.186 40.181 38.000 -0.008 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 -0.188 175.802 176.094 -0.174 0.000 1.038 561 V CA -0.505 61.701 62.300 -0.156 0.000 0.887 561 V CB 1.957 33.695 31.823 -0.141 0.000 0.991 561 V HN 0.806 nan 8.190 nan 0.000 0.434 562 S N 5.798 121.432 115.700 -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 56.934 58.200 -0.081 0.000 1.176 562 S CB 1.084 64.247 63.200 -0.062 0.000 1.045 562 S HN 0.636 nan 8.310 nan 0.000 0.481 563 P HA 0.328 nan 4.420 nan 0.000 0.272 563 P C -0.516 176.951 177.300 0.279 0.000 1.230 563 P CA -0.361 62.813 63.100 0.125 0.000 0.788 563 P CB 0.601 32.309 31.700 0.014 0.000 0.949 564 R N -0.605 120.154 120.500 0.432 0.000 2.687 564 R HA 0.421 4.761 4.340 -0.000 0.000 0.265 564 R C -1.293 175.017 176.300 0.018 0.000 1.048 564 R CA -1.002 55.272 56.100 0.290 0.000 0.884 564 R CB 0.041 30.406 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 -0.433 0.000 2.999 565 V HA 0.035 4.155 4.120 -0.000 0.000 0.307 565 V C 1.065 176.976 176.094 -0.305 0.000 1.084 565 V CA 0.324 62.219 62.300 -0.676 0.000 1.155 565 V CB 0.668 32.094 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 0.310 4.650 4.340 -0.000 0.000 0.265 566 L C 0.475 177.291 176.870 -0.089 0.000 1.128 566 L CA 0.629 55.399 54.840 -0.118 0.000 0.984 566 L CB 0.930 42.965 42.059 -0.040 0.000 1.464 566 L HN 0.920 nan 8.230 nan 0.000 0.556 567 S N -1.068 114.563 115.700 -0.115 0.000 2.690 567 S HA 0.376 4.846 4.470 -0.000 0.000 0.264 567 S C -0.955 173.575 174.600 -0.116 0.000 1.040 567 S CA -0.414 57.744 58.200 -0.071 0.000 0.869 567 S CB 0.974 64.186 63.200 0.020 0.000 1.132 567 S HN 0.052 nan 8.310 nan 0.000 0.474 568 S N 0.027 115.667 115.700 -0.100 0.000 2.677 568 S HA 0.846 5.316 4.470 -0.000 0.000 0.304 568 S C -0.308 174.199 174.600 -0.155 0.000 1.108 568 S CA -1.214 56.889 58.200 -0.162 0.000 0.944 568 S CB 1.355 64.476 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