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 1itw_1_A DATA FIRST_RESID 2 DATA SEQUENCE STPKIIYTLT DEAPALATYS LLPIIKAFTG SSGIAVETRD ISLAGRLIAT DATA SEQUENCE FPEYLTDTQK ISDDLAELGK LATTPDANII KLPNISASVP QLKAAIKELQ DATA SEQUENCE QQGYKLPDYP EEPKTDTEKD VKARYDKIKG SAVNPVLREG NSDRRAPLSV DATA SEQUENCE KNYARKHPHK MGAWSADSKS HVAHMDNGDF YGSEKAALIG APGSVKIELI DATA SEQUENCE AKDGSSTVLK AKTSVQAGEI IDSSVMSKNA LRNFIAAEIE DAKKQGVLLS DATA SEQUENCE VHLKATMMKV SDPIMFGQIV SEFYKDALTK HAEVLKQIGF DVNNGIGDLY DATA SEQUENCE ARIKTLPEAK QKEIEADIQA VYAQRPQLAM VNSDKGITNL HVPSDVIVDA DATA SEQUENCE SMPAMIRDSG KMWGPDGKLH DTKAVIPDRC YAGVYQVVIE DCKQHGAFDP DATA SEQUENCE TTMGSVPNVG LMAQKAEEYG SHDKTFQIPA DGVVRVTDES GKLLLEQSVE DATA SEQUENCE AGDIWRMCQA KDAPIQDWVK LAVNRARATN TPAVFWLDPA RAHDAQVIAK DATA SEQUENCE VERYLKDYDT SGLDIRILSP VEATRFSLAR IREGKDTISV TGNVLRDYLT DATA SEQUENCE DLFPIMELGT SAKMLSIVPL MSGGGLFETG AGGSAPKHVQ QFLEEGYLRW DATA SEQUENCE DSLGEFLALA ASLEHLGNAY KNPKALVLAS TLDQATGKIL DNNKSPARKV DATA SEQUENCE GEIDNRGSHF YLALYWAQAL AAQTEDKELQ AQFTGIAKAL TDNETKIVGE DATA SEQUENCE LAAAQGKPVD IAGYYHPNTD LTSKAMRPSA TFNAALAPLA 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.621 174.600 0.035 0.000 1.055 2 S CA 0.000 58.228 58.200 0.047 0.000 1.107 2 S CB 0.000 63.225 63.200 0.041 0.000 0.593 3 T N 5.526 120.080 114.554 -0.000 0.000 2.916 3 T HA 0.436 4.774 4.350 -0.020 0.000 0.303 3 T C -2.731 171.905 174.700 -0.106 0.000 1.025 3 T CA -0.108 61.964 62.100 -0.046 0.000 1.142 3 T CB 0.503 69.347 68.868 -0.040 0.000 0.947 3 T HN 0.215 nan 8.240 nan 0.000 0.544 4 P HA 0.164 nan 4.420 nan 0.000 0.264 4 P C -0.399 176.768 177.300 -0.221 0.000 1.193 4 P CA 0.043 62.835 63.100 -0.513 0.000 0.763 4 P CB 0.429 31.527 31.700 -1.003 0.000 0.810 5 K N 2.838 123.174 120.400 -0.107 0.000 2.203 5 K HA 0.598 4.906 4.320 -0.020 0.000 0.251 5 K C -0.369 176.250 176.600 0.031 0.000 0.944 5 K CA -0.717 55.559 56.287 -0.019 0.000 0.829 5 K CB 1.829 34.340 32.500 0.018 0.000 1.125 5 K HN 0.373 nan 8.250 nan 0.000 0.430 6 I N 3.668 124.269 120.570 0.051 0.000 2.406 6 I HA 0.273 4.430 4.170 -0.020 0.000 0.290 6 I C -0.502 175.682 176.117 0.111 0.000 0.999 6 I CA -1.008 60.350 61.300 0.096 0.000 1.124 6 I CB 1.313 39.379 38.000 0.109 0.000 1.289 6 I HN 0.341 nan 8.210 nan 0.000 0.441 7 I N 6.558 127.194 120.570 0.111 0.000 2.342 7 I HA 0.171 4.329 4.170 -0.020 0.000 0.291 7 I C -0.571 175.626 176.117 0.133 0.000 1.010 7 I CA -0.418 60.943 61.300 0.103 0.000 1.308 7 I CB 0.609 38.647 38.000 0.063 0.000 1.400 7 I HN 0.451 nan 8.210 nan 0.000 0.488 8 Y N 5.172 125.478 120.300 0.010 0.000 2.334 8 Y HA 0.272 4.815 4.550 -0.011 0.000 0.336 8 Y C 0.712 176.604 175.900 -0.014 0.000 0.960 8 Y CA -0.722 57.379 58.100 0.002 0.000 1.164 8 Y CB 1.289 39.742 38.460 -0.012 0.000 1.155 8 Y HN 0.667 nan 8.280 nan 0.000 0.478 9 T N 4.680 119.146 114.554 -0.147 0.000 2.851 9 T HA 0.393 4.731 4.350 -0.020 0.000 0.298 9 T C -0.284 174.396 174.700 -0.033 0.000 0.977 9 T CA -0.641 61.414 62.100 -0.076 0.000 1.126 9 T CB 0.325 69.127 68.868 -0.110 0.000 0.916 9 T HN 0.543 nan 8.240 nan 0.000 0.529 10 L N 4.613 125.835 121.223 -0.000 0.000 2.260 10 L HA 0.388 4.716 4.340 -0.020 0.000 0.289 10 L C 1.387 178.239 176.870 -0.031 0.000 1.057 10 L CA -0.732 54.099 54.840 -0.014 0.000 0.811 10 L CB 0.827 42.869 42.059 -0.029 0.000 1.184 10 L HN 1.048 nan 8.230 nan 0.000 0.429 11 T N -1.036 113.486 114.554 -0.053 0.000 2.624 11 T HA 0.408 4.746 4.350 -0.020 0.000 0.223 11 T C -0.208 174.455 174.700 -0.060 0.000 0.992 11 T CA -0.702 61.364 62.100 -0.057 0.000 1.111 11 T CB 1.028 69.848 68.868 -0.080 0.000 2.611 11 T HN 0.368 nan 8.240 nan 0.000 0.489 12 D N 0.036 120.381 120.400 -0.092 0.000 2.450 12 D HA 0.427 5.055 4.640 -0.020 0.000 0.238 12 D C 0.350 176.520 176.300 -0.217 0.000 1.020 12 D CA -0.452 53.487 54.000 -0.102 0.000 1.010 12 D CB 2.030 42.818 40.800 -0.020 0.000 1.342 12 D HN 0.794 nan 8.370 nan 0.000 0.530 13 E N 0.214 120.248 120.200 -0.276 0.000 3.422 13 E HA -0.388 3.950 4.350 -0.020 0.000 0.426 13 E C 1.375 177.741 176.600 -0.390 0.000 1.588 13 E CA 1.614 57.787 56.400 -0.378 0.000 1.437 13 E CB -1.063 28.474 29.700 -0.271 0.000 1.496 13 E HN 0.537 nan 8.360 nan 0.000 0.445 14 A N 0.827 123.385 122.820 -0.437 0.000 1.851 14 A HA -0.119 4.189 4.320 -0.020 0.000 0.216 14 A C -0.237 176.766 177.584 -0.969 0.000 1.195 14 A CA 2.593 54.278 52.037 -0.588 0.000 0.622 14 A CB -1.634 17.078 19.000 -0.479 0.000 0.831 14 A HN 0.484 nan 8.150 nan 0.000 0.444 15 P HA -0.127 nan 4.420 nan 0.000 0.218 15 P C 1.521 178.571 177.300 -0.417 0.000 1.149 15 P CA 1.876 64.364 63.100 -1.020 0.000 0.817 15 P CB -0.161 31.108 31.700 -0.719 0.000 0.785 16 A N 0.237 122.861 122.820 -0.327 0.000 1.902 16 A HA -0.127 4.181 4.320 -0.020 0.000 0.217 16 A C 2.441 180.015 177.584 -0.017 0.000 1.181 16 A CA 1.302 53.257 52.037 -0.136 0.000 0.623 16 A CB -1.552 17.382 19.000 -0.110 0.000 0.818 16 A HN 0.122 nan 8.150 nan 0.000 0.443 17 L N -0.807 120.330 121.223 -0.143 0.000 2.027 17 L HA -0.182 4.146 4.340 -0.020 0.000 0.206 17 L C 3.128 179.973 176.870 -0.040 0.000 1.074 17 L CA 1.073 55.832 54.840 -0.135 0.000 0.745 17 L CB -0.635 41.157 42.059 -0.446 0.000 0.898 17 L HN 0.427 nan 8.230 nan 0.000 0.433 18 A N -0.344 122.416 122.820 -0.100 0.000 1.948 18 A HA -0.237 4.071 4.320 -0.020 0.000 0.220 18 A C 2.339 180.045 177.584 0.204 0.000 1.177 18 A CA 2.472 54.579 52.037 0.117 0.000 0.636 18 A CB -1.002 18.096 19.000 0.163 0.000 0.815 18 A HN 0.422 nan 8.150 nan 0.000 0.449 19 T N -1.357 113.252 114.554 0.090 0.000 2.833 19 T HA -0.155 4.183 4.350 -0.020 0.000 0.269 19 T C 1.592 176.268 174.700 -0.042 0.000 1.054 19 T CA 1.643 63.764 62.100 0.034 0.000 1.135 19 T CB -0.452 68.428 68.868 0.021 0.000 0.869 19 T HN 0.590 nan 8.240 nan 0.000 0.466 20 Y N 0.927 121.212 120.300 -0.026 0.000 2.333 20 Y HA -0.099 4.438 4.550 -0.021 0.000 0.290 20 Y C 2.926 178.824 175.900 -0.004 0.000 1.144 20 Y CA 1.140 59.222 58.100 -0.030 0.000 1.228 20 Y CB -0.209 38.227 38.460 -0.040 0.000 0.985 20 Y HN 0.208 nan 8.280 nan 0.000 0.542 21 S N -0.837 114.984 115.700 0.203 0.000 2.387 21 S HA -0.070 4.388 4.470 -0.020 0.000 0.221 21 S C 1.874 176.545 174.600 0.118 0.000 1.041 21 S CA 0.487 58.820 58.200 0.222 0.000 0.959 21 S CB -0.438 63.005 63.200 0.405 0.000 0.843 21 S HN 0.319 nan 8.310 nan 0.000 0.488 22 L N 1.710 122.920 121.223 -0.022 0.000 2.131 22 L HA 0.299 4.627 4.340 -0.020 0.000 0.206 22 L C 2.164 178.906 176.870 -0.214 0.000 1.087 22 L CA 1.315 55.989 54.840 -0.277 0.000 0.767 22 L CB -0.662 41.118 42.059 -0.466 0.000 0.917 22 L HN 0.393 nan 8.230 nan 0.000 0.441 23 L N -0.128 120.940 121.223 -0.258 0.000 2.012 23 L HA -0.177 4.151 4.340 -0.020 0.000 0.210 23 L C -0.285 176.461 176.870 -0.206 0.000 1.073 23 L CA 1.720 56.345 54.840 -0.358 0.000 0.748 23 L CB -1.348 40.477 42.059 -0.390 0.000 0.891 23 L HN 0.251 nan 8.230 nan 0.000 0.431 24 P HA -0.168 nan 4.420 nan 0.000 0.216 24 P C 1.763 179.025 177.300 -0.064 0.000 1.150 24 P CA 1.450 64.492 63.100 -0.097 0.000 0.837 24 P CB 0.081 31.727 31.700 -0.091 0.000 0.786 25 I N -1.265 119.271 120.570 -0.057 0.000 2.179 25 I HA -0.223 3.934 4.170 -0.020 0.000 0.242 25 I C 2.248 178.424 176.117 0.098 0.000 1.088 25 I CA 1.407 62.728 61.300 0.035 0.000 1.357 25 I CB -0.547 37.458 38.000 0.009 0.000 1.051 25 I HN -0.124 nan 8.210 nan 0.000 0.409 26 I N 0.713 121.293 120.570 0.016 0.000 2.163 26 I HA -0.318 3.839 4.170 -0.020 0.000 0.243 26 I C 2.501 178.656 176.117 0.065 0.000 1.085 26 I CA 1.580 62.921 61.300 0.068 0.000 1.347 26 I CB -0.458 37.514 38.000 -0.048 0.000 1.044 26 I HN 0.184 nan 8.210 nan 0.000 0.408 27 K N 0.909 121.306 120.400 -0.006 0.000 2.063 27 K HA -0.159 4.148 4.320 -0.020 0.000 0.208 27 K C 2.286 178.895 176.600 0.016 0.000 1.048 27 K CA 1.571 57.852 56.287 -0.009 0.000 0.928 27 K CB -0.287 32.185 32.500 -0.047 0.000 0.713 27 K HN 0.330 nan 8.250 nan 0.000 0.442 28 A N 0.768 123.612 122.820 0.040 0.000 1.898 28 A HA -0.128 4.179 4.320 -0.020 0.000 0.216 28 A C 1.902 179.493 177.584 0.012 0.000 1.181 28 A CA 1.263 53.306 52.037 0.009 0.000 0.620 28 A CB -0.624 18.387 19.000 0.018 0.000 0.819 28 A HN 0.186 nan 8.150 nan 0.000 0.442 29 F N 0.805 120.683 119.950 -0.120 0.000 2.325 29 F HA -0.077 4.441 4.527 -0.015 0.000 0.299 29 F C 2.759 178.479 175.800 -0.133 0.000 1.090 29 F CA 1.741 59.624 58.000 -0.196 0.000 1.392 29 F CB -0.372 38.127 39.000 -0.836 0.000 1.053 29 F HN 0.377 nan 8.300 nan 0.000 0.521 30 T N -3.723 110.884 114.554 0.087 0.000 3.057 30 T HA 0.174 4.511 4.350 -0.020 0.000 0.254 30 T C 2.339 177.057 174.700 0.029 0.000 1.094 30 T CA 0.623 62.761 62.100 0.065 0.000 1.088 30 T CB -0.663 68.255 68.868 0.082 0.000 0.934 30 T HN 0.212 nan 8.240 nan 0.000 0.497 31 G N 2.642 111.445 108.800 0.006 0.000 2.491 31 G HA2 -0.297 3.651 3.960 -0.020 0.000 0.218 31 G HA3 -0.297 3.651 3.960 -0.020 0.000 0.218 31 G C 1.925 176.811 174.900 -0.024 0.000 1.180 31 G CA 1.615 46.703 45.100 -0.021 0.000 0.774 31 G HN 0.732 nan 8.290 nan 0.000 0.562 32 S N -0.015 115.668 115.700 -0.028 0.000 2.469 32 S HA -0.002 4.456 4.470 -0.020 0.000 0.238 32 S C 1.944 176.545 174.600 0.002 0.000 0.998 32 S CA 1.499 59.684 58.200 -0.025 0.000 0.957 32 S CB -0.124 63.054 63.200 -0.038 0.000 0.764 32 S HN 0.160 nan 8.310 nan 0.000 0.514 33 S N 0.748 116.458 115.700 0.016 0.000 2.634 33 S HA 0.484 4.942 4.470 -0.020 0.000 0.221 33 S C 1.158 175.759 174.600 0.001 0.000 0.952 33 S CA 0.148 58.359 58.200 0.018 0.000 0.930 33 S CB -0.066 63.154 63.200 0.033 0.000 0.780 33 S HN 1.043 nan 8.310 nan 0.000 0.498 34 G N 1.923 110.716 108.800 -0.011 0.000 2.225 34 G HA2 -0.246 3.702 3.960 -0.020 0.000 0.264 34 G HA3 -0.246 3.702 3.960 -0.020 0.000 0.264 34 G C -0.147 174.724 174.900 -0.049 0.000 1.060 34 G CA -0.070 45.014 45.100 -0.026 0.000 0.833 34 G HN 0.529 nan 8.290 nan 0.000 0.498 35 I N 0.234 120.782 120.570 -0.036 0.000 2.474 35 I HA 0.697 4.855 4.170 -0.020 0.000 0.294 35 I C 0.444 176.543 176.117 -0.031 0.000 1.005 35 I CA -0.814 60.458 61.300 -0.047 0.000 1.113 35 I CB 2.127 40.117 38.000 -0.016 0.000 1.289 35 I HN 0.284 nan 8.210 nan 0.000 0.436 36 A N 5.846 128.644 122.820 -0.038 0.000 2.337 36 A HA 0.817 5.125 4.320 -0.020 0.000 0.329 36 A C -0.844 176.738 177.584 -0.003 0.000 1.146 36 A CA -0.531 51.493 52.037 -0.020 0.000 0.800 36 A CB 1.421 20.408 19.000 -0.022 0.000 1.220 36 A HN 0.437 nan 8.150 nan 0.000 0.472 37 V N 2.836 122.750 119.914 0.001 0.000 2.378 37 V HA 0.380 4.488 4.120 -0.020 0.000 0.288 37 V C -0.180 175.924 176.094 0.015 0.000 1.016 37 V CA -0.417 61.894 62.300 0.018 0.000 0.840 37 V CB 1.103 32.922 31.823 -0.008 0.000 0.994 37 V HN 0.971 nan 8.190 nan 0.000 0.431 38 E N 2.338 122.562 120.200 0.040 0.000 2.207 38 E HA 0.610 4.948 4.350 -0.020 0.000 0.270 38 E C -0.401 176.235 176.600 0.061 0.000 0.927 38 E CA -0.650 55.771 56.400 0.035 0.000 0.799 38 E CB 2.518 32.238 29.700 0.033 0.000 1.172 38 E HN 0.773 nan 8.360 nan 0.000 0.404 39 T N 0.078 114.658 114.554 0.043 0.000 2.943 39 T HA 0.608 4.946 4.350 -0.020 0.000 0.284 39 T C -0.050 174.673 174.700 0.039 0.000 1.015 39 T CA -1.067 61.067 62.100 0.057 0.000 1.042 39 T CB 1.405 70.287 68.868 0.023 0.000 1.055 39 T HN 0.178 nan 8.240 nan 0.000 0.500 40 R N 1.445 121.967 120.500 0.037 0.000 2.574 40 R HA 0.382 4.710 4.340 -0.020 0.000 0.288 40 R C -1.637 174.673 176.300 0.017 0.000 1.004 40 R CA -0.719 55.395 56.100 0.025 0.000 0.895 40 R CB 1.889 32.201 30.300 0.020 0.000 1.191 40 R HN 0.828 nan 8.270 nan 0.000 0.444 41 D N 3.646 124.058 120.400 0.020 0.000 2.380 41 D HA 0.167 4.795 4.640 -0.020 0.000 0.230 41 D C 0.878 177.189 176.300 0.019 0.000 1.154 41 D CA -0.340 53.672 54.000 0.021 0.000 0.859 41 D CB 0.507 41.330 40.800 0.038 0.000 1.045 41 D HN 0.609 nan 8.370 nan 0.000 0.495 42 I N 0.905 121.480 120.570 0.008 0.000 3.936 42 I HA 0.244 4.401 4.170 -0.020 0.000 0.330 42 I C 0.341 176.463 176.117 0.008 0.000 1.509 42 I CA -0.700 60.603 61.300 0.005 0.000 1.126 42 I CB 0.070 38.065 38.000 -0.007 0.000 1.115 42 I HN 0.120 nan 8.210 nan 0.000 0.424 43 S N 0.719 116.431 115.700 0.019 0.000 2.584 43 S HA 0.163 4.621 4.470 -0.020 0.000 0.270 43 S C 1.157 175.778 174.600 0.035 0.000 1.346 43 S CA -0.576 57.642 58.200 0.030 0.000 1.018 43 S CB 1.646 64.877 63.200 0.051 0.000 0.899 43 S HN 0.492 nan 8.310 nan 0.000 0.542 44 L N 1.410 122.656 121.223 0.037 0.000 1.990 44 L HA -0.180 4.148 4.340 -0.020 0.000 0.213 44 L C 2.824 179.690 176.870 -0.007 0.000 1.072 44 L CA 2.213 57.052 54.840 -0.001 0.000 0.755 44 L CB -1.227 40.806 42.059 -0.042 0.000 0.889 44 L HN 1.003 nan 8.230 nan 0.000 0.432 45 A N -0.395 122.442 122.820 0.028 0.000 1.902 45 A HA -0.152 4.155 4.320 -0.020 0.000 0.217 45 A C 2.274 179.850 177.584 -0.014 0.000 1.181 45 A CA 1.657 53.690 52.037 -0.006 0.000 0.623 45 A CB -1.246 17.808 19.000 0.090 0.000 0.818 45 A HN 0.549 nan 8.150 nan 0.000 0.443 46 G N -0.654 108.180 108.800 0.056 0.000 2.418 46 G HA2 -0.207 3.741 3.960 -0.020 0.000 0.217 46 G HA3 -0.207 3.741 3.960 -0.020 0.000 0.217 46 G C 1.750 176.673 174.900 0.040 0.000 1.158 46 G CA 0.806 45.939 45.100 0.056 0.000 0.771 46 G HN 0.564 nan 8.290 nan 0.000 0.545 47 R N -0.329 120.193 120.500 0.036 0.000 2.115 47 R HA 0.124 4.452 4.340 -0.020 0.000 0.230 47 R C 2.545 178.888 176.300 0.072 0.000 1.111 47 R CA 0.561 56.685 56.100 0.040 0.000 0.976 47 R CB -0.341 29.977 30.300 0.029 0.000 0.870 47 R HN 0.335 nan 8.270 nan 0.000 0.445 48 L N 0.284 121.558 121.223 0.084 0.000 2.027 48 L HA -0.146 4.182 4.340 -0.020 0.000 0.206 48 L C 2.342 179.339 176.870 0.212 0.000 1.074 48 L CA 1.238 56.190 54.840 0.187 0.000 0.745 48 L CB -0.339 41.781 42.059 0.102 0.000 0.898 48 L HN 0.136 nan 8.230 nan 0.000 0.433 49 I N 0.045 120.656 120.570 0.068 0.000 2.179 49 I HA -0.297 3.861 4.170 -0.020 0.000 0.242 49 I C 2.773 178.972 176.117 0.136 0.000 1.088 49 I CA 1.245 62.591 61.300 0.076 0.000 1.357 49 I CB -0.528 37.446 38.000 -0.043 0.000 1.051 49 I HN 0.205 nan 8.210 nan 0.000 0.409 50 A N 0.195 123.068 122.820 0.088 0.000 2.024 50 A HA -0.189 4.118 4.320 -0.020 0.000 0.220 50 A C 2.308 179.903 177.584 0.018 0.000 1.164 50 A CA 2.310 54.383 52.037 0.059 0.000 0.643 50 A CB -0.944 18.078 19.000 0.036 0.000 0.806 50 A HN 0.429 nan 8.150 nan 0.000 0.451 51 T N -1.303 113.250 114.554 -0.002 0.000 2.985 51 T HA 0.110 4.447 4.350 -0.020 0.000 0.266 51 T C -0.003 174.404 174.700 -0.488 0.000 1.076 51 T CA 0.706 62.651 62.100 -0.257 0.000 1.135 51 T CB -0.245 68.399 68.868 -0.374 0.000 0.890 51 T HN 0.382 nan 8.240 nan 0.000 0.480 52 F N 0.683 120.651 119.950 0.030 0.000 2.627 52 F HA 0.368 4.882 4.527 -0.021 0.000 0.329 52 F C -2.070 173.833 175.800 0.171 0.000 1.378 52 F CA -2.616 55.448 58.000 0.108 0.000 1.134 52 F CB 1.042 40.072 39.000 0.050 0.000 1.229 52 F HN -0.030 nan 8.300 nan 0.000 0.537 53 P HA -0.234 nan 4.420 nan 0.000 0.216 53 P C 1.691 179.084 177.300 0.154 0.000 1.150 53 P CA 1.430 64.625 63.100 0.158 0.000 0.837 53 P CB 0.155 31.903 31.700 0.080 0.000 0.786 54 E N -0.688 119.593 120.200 0.134 0.000 2.333 54 E HA -0.205 4.132 4.350 -0.020 0.000 0.198 54 E C 0.794 177.377 176.600 -0.027 0.000 1.007 54 E CA 1.338 57.746 56.400 0.012 0.000 0.845 54 E CB -1.004 28.643 29.700 -0.088 0.000 0.766 54 E HN 0.365 nan 8.360 nan 0.000 0.507 55 Y N 0.706 121.073 120.300 0.111 0.000 2.457 55 Y HA 0.345 4.883 4.550 -0.020 0.000 0.263 55 Y C 0.874 176.821 175.900 0.079 0.000 1.164 55 Y CA -0.100 58.053 58.100 0.089 0.000 1.274 55 Y CB 0.513 39.027 38.460 0.091 0.000 1.097 55 Y HN -0.109 nan 8.280 nan 0.000 0.523 56 L N -0.346 121.005 121.223 0.214 0.000 2.319 56 L HA 0.476 4.803 4.340 -0.020 0.000 0.267 56 L C 0.506 177.418 176.870 0.070 0.000 1.011 56 L CA -1.213 53.714 54.840 0.145 0.000 0.818 56 L CB 1.696 43.867 42.059 0.188 0.000 1.316 56 L HN -0.028 nan 8.230 nan 0.000 0.432 57 T N -3.861 110.706 114.554 0.022 0.000 2.828 57 T HA 0.069 4.407 4.350 -0.020 0.000 0.290 57 T C 0.694 175.405 174.700 0.018 0.000 1.019 57 T CA -0.649 61.453 62.100 0.003 0.000 1.031 57 T CB 0.945 69.794 68.868 -0.033 0.000 1.001 57 T HN 0.523 nan 8.240 nan 0.000 0.531 58 D N 1.156 121.566 120.400 0.016 0.000 2.158 58 D HA -0.138 4.490 4.640 -0.020 0.000 0.197 58 D C 2.331 178.649 176.300 0.031 0.000 0.995 58 D CA 2.192 56.207 54.000 0.025 0.000 0.846 58 D CB -0.656 40.155 40.800 0.018 0.000 0.941 58 D HN 0.899 nan 8.370 nan 0.000 0.456 59 T N -1.904 112.661 114.554 0.018 0.000 3.023 59 T HA -0.055 4.283 4.350 -0.020 0.000 0.266 59 T C 1.793 176.520 174.700 0.046 0.000 1.093 59 T CA 0.630 62.746 62.100 0.027 0.000 1.129 59 T CB -0.063 68.812 68.868 0.011 0.000 0.899 59 T HN 0.141 nan 8.240 nan 0.000 0.491 60 Q N 0.626 120.443 119.800 0.028 0.000 2.331 60 Q HA 0.150 4.478 4.340 -0.020 0.000 0.203 60 Q C 0.408 176.534 176.000 0.210 0.000 0.944 60 Q CA 0.420 56.273 55.803 0.084 0.000 0.892 60 Q CB 0.069 28.752 28.738 -0.092 0.000 0.983 60 Q HN 0.547 nan 8.270 nan 0.000 0.482 61 K N 1.641 122.126 120.400 0.140 0.000 2.382 61 K HA 0.210 4.518 4.320 -0.020 0.000 0.275 61 K C 0.003 176.677 176.600 0.124 0.000 1.009 61 K CA 0.205 56.573 56.287 0.136 0.000 0.970 61 K CB 0.517 33.074 32.500 0.095 0.000 0.934 61 K HN 0.140 nan 8.250 nan 0.000 0.479 62 I N -2.413 118.226 120.570 0.115 0.000 2.969 62 I HA 0.351 4.509 4.170 -0.020 0.000 0.307 62 I C -0.191 175.967 176.117 0.069 0.000 1.149 62 I CA -1.145 60.212 61.300 0.095 0.000 1.008 62 I CB 2.162 40.227 38.000 0.109 0.000 1.232 62 I HN 0.545 nan 8.210 nan 0.000 0.435 63 S N 0.952 116.685 115.700 0.055 0.000 2.579 63 S HA 0.063 4.521 4.470 -0.020 0.000 0.275 63 S C -0.001 174.620 174.600 0.035 0.000 1.345 63 S CA -0.393 57.831 58.200 0.039 0.000 1.031 63 S CB 0.718 63.938 63.200 0.034 0.000 0.892 63 S HN 0.743 nan 8.310 nan 0.000 0.529 64 D N 0.818 121.232 120.400 0.023 0.000 2.508 64 D HA 0.140 4.768 4.640 -0.020 0.000 0.224 64 D C 0.093 176.401 176.300 0.014 0.000 1.171 64 D CA -0.347 53.661 54.000 0.014 0.000 1.006 64 D CB -0.132 40.668 40.800 0.000 0.000 1.073 64 D HN 0.428 nan 8.370 nan 0.000 0.513 65 D N 2.516 122.927 120.400 0.019 0.000 2.219 65 D HA -0.132 4.495 4.640 -0.020 0.000 0.205 65 D C 1.984 178.290 176.300 0.009 0.000 0.970 65 D CA 0.230 54.240 54.000 0.016 0.000 0.851 65 D CB 0.303 41.115 40.800 0.020 0.000 0.943 65 D HN 0.442 nan 8.370 nan 0.000 0.488 66 L N 0.482 121.709 121.223 0.006 0.000 2.027 66 L HA -0.149 4.179 4.340 -0.020 0.000 0.206 66 L C 2.216 179.086 176.870 -0.001 0.000 1.074 66 L CA 1.240 56.080 54.840 0.001 0.000 0.745 66 L CB -0.226 41.833 42.059 0.000 0.000 0.898 66 L HN -0.017 nan 8.230 nan 0.000 0.433 67 A N -0.102 122.717 122.820 -0.001 0.000 1.902 67 A HA -0.289 4.019 4.320 -0.020 0.000 0.217 67 A C 2.037 179.622 177.584 0.001 0.000 1.181 67 A CA 1.875 53.910 52.037 -0.002 0.000 0.623 67 A CB -0.564 18.433 19.000 -0.005 0.000 0.818 67 A HN 0.545 nan 8.150 nan 0.000 0.443 68 E N 0.368 120.571 120.200 0.005 0.000 2.058 68 E HA -0.173 4.165 4.350 -0.020 0.000 0.194 68 E C 1.793 178.397 176.600 0.007 0.000 0.997 68 E CA 1.569 57.974 56.400 0.009 0.000 0.801 68 E CB -0.517 29.191 29.700 0.013 0.000 0.746 68 E HN 0.573 nan 8.360 nan 0.000 0.450 69 L N -0.181 121.045 121.223 0.004 0.000 2.046 69 L HA -0.085 4.243 4.340 -0.020 0.000 0.208 69 L C 2.530 179.397 176.870 -0.005 0.000 1.077 69 L CA 1.301 56.141 54.840 -0.000 0.000 0.747 69 L CB -0.828 41.227 42.059 -0.006 0.000 0.896 69 L HN 0.397 nan 8.230 nan 0.000 0.432 70 G N -0.301 108.495 108.800 -0.006 0.000 2.440 70 G HA2 -0.235 3.713 3.960 -0.020 0.000 0.218 70 G HA3 -0.235 3.713 3.960 -0.020 0.000 0.218 70 G C 1.701 176.598 174.900 -0.005 0.000 1.154 70 G CA 0.475 45.570 45.100 -0.008 0.000 0.767 70 G HN 0.146 nan 8.290 nan 0.000 0.552 71 K N -0.031 120.369 120.400 -0.000 0.000 2.025 71 K HA 0.033 4.341 4.320 -0.020 0.000 0.207 71 K C 2.413 179.017 176.600 0.006 0.000 1.049 71 K CA 0.634 56.923 56.287 0.003 0.000 0.933 71 K CB -0.866 31.638 32.500 0.007 0.000 0.714 71 K HN 0.351 nan 8.250 nan 0.000 0.438 72 L N 1.340 122.567 121.223 0.008 0.000 2.079 72 L HA -0.107 4.220 4.340 -0.020 0.000 0.210 72 L C 2.098 178.972 176.870 0.006 0.000 1.081 72 L CA 1.889 56.737 54.840 0.014 0.000 0.752 72 L CB -0.699 41.370 42.059 0.018 0.000 0.896 72 L HN 0.158 nan 8.230 nan 0.000 0.433 73 A N -1.543 121.272 122.820 -0.008 0.000 2.125 73 A HA -0.165 4.143 4.320 -0.020 0.000 0.219 73 A C 1.991 179.564 177.584 -0.019 0.000 1.156 73 A CA 1.771 53.794 52.037 -0.023 0.000 0.671 73 A CB -1.131 17.848 19.000 -0.034 0.000 0.794 73 A HN 0.621 nan 8.150 nan 0.000 0.459 74 T N -2.315 112.235 114.554 -0.008 0.000 3.176 74 T HA 0.273 4.611 4.350 -0.020 0.000 0.263 74 T C 0.468 175.171 174.700 0.005 0.000 1.021 74 T CA 0.392 62.489 62.100 -0.005 0.000 0.905 74 T CB -0.748 68.118 68.868 -0.004 0.000 1.057 74 T HN 0.454 nan 8.240 nan 0.000 0.558 75 T N -1.024 113.538 114.554 0.012 0.000 2.895 75 T HA 0.524 4.862 4.350 -0.020 0.000 0.283 75 T C -2.180 172.540 174.700 0.032 0.000 1.014 75 T CA -1.970 60.144 62.100 0.023 0.000 1.037 75 T CB 1.856 70.744 68.868 0.033 0.000 1.006 75 T HN -0.245 nan 8.240 nan 0.000 0.468 76 P HA 0.003 nan 4.420 nan 0.000 0.218 76 P C 0.578 177.924 177.300 0.076 0.000 1.149 76 P CA 0.898 64.023 63.100 0.040 0.000 0.817 76 P CB 0.113 31.824 31.700 0.018 0.000 0.785 77 D N -1.223 119.232 120.400 0.092 0.000 2.368 77 D HA 0.183 4.810 4.640 -0.020 0.000 0.218 77 D C 0.624 177.046 176.300 0.204 0.000 1.112 77 D CA -0.056 54.042 54.000 0.163 0.000 0.834 77 D CB -0.026 40.873 40.800 0.164 0.000 0.953 77 D HN 0.069 nan 8.370 nan 0.000 0.505 78 A N 1.405 124.302 122.820 0.129 0.000 2.531 78 A HA 0.151 4.459 4.320 -0.020 0.000 0.236 78 A C 0.440 178.081 177.584 0.095 0.000 1.062 78 A CA 0.203 52.295 52.037 0.093 0.000 0.760 78 A CB 0.241 19.261 19.000 0.033 0.000 0.995 78 A HN 0.078 nan 8.150 nan 0.000 0.501 79 N N 1.802 120.564 118.700 0.103 0.000 2.621 79 N HA 0.395 5.123 4.740 -0.020 0.000 0.271 79 N C -1.660 173.929 175.510 0.131 0.000 1.181 79 N CA -0.236 52.895 53.050 0.134 0.000 0.805 79 N CB 0.575 39.195 38.487 0.221 0.000 1.351 79 N HN 0.522 nan 8.380 nan 0.000 0.539 80 I N 3.290 123.921 120.570 0.102 0.000 2.474 80 I HA 0.491 4.649 4.170 -0.020 0.000 0.294 80 I C 0.051 176.240 176.117 0.120 0.000 1.005 80 I CA -0.747 60.596 61.300 0.072 0.000 1.113 80 I CB 2.186 40.181 38.000 -0.008 0.000 1.289 80 I HN 0.281 nan 8.210 nan 0.000 0.436 81 I N 5.663 126.258 120.570 0.041 0.000 2.354 81 I HA 0.276 4.434 4.170 -0.020 0.000 0.286 81 I C -0.325 175.672 176.117 -0.200 0.000 1.007 81 I CA -0.714 60.562 61.300 -0.040 0.000 1.167 81 I CB 1.403 39.323 38.000 -0.134 0.000 1.320 81 I HN 0.404 nan 8.210 nan 0.000 0.458 82 K N 7.233 127.558 120.400 -0.124 0.000 2.265 82 K HA 0.572 4.880 4.320 -0.020 0.000 0.267 82 K C -1.344 175.184 176.600 -0.120 0.000 0.994 82 K CA -0.301 55.909 56.287 -0.128 0.000 0.860 82 K CB 0.855 33.309 32.500 -0.077 0.000 1.099 82 K HN 0.353 nan 8.250 nan 0.000 0.448 83 L N 5.971 127.109 121.223 -0.142 0.000 2.387 83 L HA 0.574 4.902 4.340 -0.020 0.000 0.266 83 L C -2.071 174.785 176.870 -0.024 0.000 1.059 83 L CA -2.142 52.655 54.840 -0.071 0.000 0.801 83 L CB 0.889 42.890 42.059 -0.096 0.000 1.223 83 L HN 0.651 nan 8.230 nan 0.000 0.456 84 P HA 0.094 nan 4.420 nan 0.000 0.267 84 P C -1.302 175.986 177.300 -0.020 0.000 1.200 84 P CA 0.045 63.172 63.100 0.046 0.000 0.772 84 P CB 0.318 32.117 31.700 0.165 0.000 0.855 85 N N 1.651 120.345 118.700 -0.010 0.000 2.732 85 N HA 0.294 5.022 4.740 -0.020 0.000 0.259 85 N C -1.064 174.445 175.510 -0.001 0.000 1.402 85 N CA -0.783 52.254 53.050 -0.021 0.000 0.829 85 N CB 1.078 39.553 38.487 -0.021 0.000 1.495 85 N HN 0.102 nan 8.380 nan 0.000 0.511 86 I N 0.876 121.450 120.570 0.007 0.000 2.556 86 I HA 0.043 4.200 4.170 -0.020 0.000 0.284 86 I C 0.269 176.386 176.117 0.000 0.000 1.114 86 I CA 0.037 61.349 61.300 0.019 0.000 1.418 86 I CB 0.933 38.964 38.000 0.052 0.000 1.394 86 I HN 0.405 nan 8.210 nan 0.000 0.552 87 S N 6.009 121.705 115.700 -0.006 0.000 2.475 87 S HA 0.446 4.904 4.470 -0.020 0.000 0.249 87 S C 0.254 174.831 174.600 -0.039 0.000 1.298 87 S CA -0.676 57.509 58.200 -0.024 0.000 1.125 87 S CB 0.788 63.975 63.200 -0.022 0.000 1.054 87 S HN 0.716 nan 8.310 nan 0.000 0.484 88 A N 3.121 125.907 122.820 -0.057 0.000 2.546 88 A HA 0.438 4.746 4.320 -0.020 0.000 0.243 88 A C 0.884 178.403 177.584 -0.108 0.000 1.063 88 A CA -0.334 51.650 52.037 -0.088 0.000 0.757 88 A CB 0.013 18.931 19.000 -0.137 0.000 0.991 88 A HN 0.745 nan 8.150 nan 0.000 0.503 89 S N 1.851 117.488 115.700 -0.104 0.000 2.669 89 S HA 0.356 4.814 4.470 -0.020 0.000 0.270 89 S C 1.100 175.599 174.600 -0.168 0.000 1.225 89 S CA -0.205 57.929 58.200 -0.111 0.000 0.991 89 S CB 1.087 64.240 63.200 -0.078 0.000 0.987 89 S HN 0.663 nan 8.310 nan 0.000 0.552 90 V N 1.908 121.717 119.914 -0.175 0.000 2.332 90 V HA -0.062 4.046 4.120 -0.020 0.000 0.248 90 V C -0.801 175.151 176.094 -0.237 0.000 1.055 90 V CA 1.776 63.915 62.300 -0.268 0.000 1.038 90 V CB -1.834 29.881 31.823 -0.179 0.000 0.651 90 V HN 0.731 nan 8.190 nan 0.000 0.450 91 P HA -0.164 nan 4.420 nan 0.000 0.217 91 P C 1.779 179.001 177.300 -0.130 0.000 1.150 91 P CA 1.372 64.408 63.100 -0.106 0.000 0.832 91 P CB -0.018 31.649 31.700 -0.055 0.000 0.787 92 Q N -1.140 118.577 119.800 -0.137 0.000 2.079 92 Q HA -0.138 4.190 4.340 -0.020 0.000 0.200 92 Q C 2.101 177.881 176.000 -0.367 0.000 0.974 92 Q CA 0.939 56.638 55.803 -0.173 0.000 0.840 92 Q CB -0.828 27.849 28.738 -0.101 0.000 0.898 92 Q HN 0.156 nan 8.270 nan 0.000 0.430 93 L N 1.426 122.436 121.223 -0.354 0.000 2.012 93 L HA -0.224 4.104 4.340 -0.020 0.000 0.210 93 L C 1.871 178.470 176.870 -0.452 0.000 1.073 93 L CA 1.923 56.498 54.840 -0.442 0.000 0.748 93 L CB -0.245 41.491 42.059 -0.538 0.000 0.891 93 L HN -0.007 nan 8.230 nan 0.000 0.431 94 K N -0.599 119.573 120.400 -0.380 0.000 2.097 94 K HA -0.096 4.212 4.320 -0.020 0.000 0.206 94 K C 2.089 178.565 176.600 -0.206 0.000 1.049 94 K CA 1.259 57.381 56.287 -0.275 0.000 0.933 94 K CB -0.402 31.995 32.500 -0.172 0.000 0.717 94 K HN 0.507 nan 8.250 nan 0.000 0.442 95 A N 1.546 124.254 122.820 -0.187 0.000 1.902 95 A HA -0.121 4.187 4.320 -0.020 0.000 0.217 95 A C 2.369 179.887 177.584 -0.110 0.000 1.181 95 A CA 1.862 53.854 52.037 -0.075 0.000 0.623 95 A CB -0.640 18.400 19.000 0.068 0.000 0.818 95 A HN 0.334 nan 8.150 nan 0.000 0.443 96 A N -0.170 122.389 122.820 -0.434 0.000 1.898 96 A HA -0.028 4.280 4.320 -0.020 0.000 0.216 96 A C 2.117 179.580 177.584 -0.203 0.000 1.181 96 A CA 1.411 53.194 52.037 -0.422 0.000 0.620 96 A CB -0.570 18.029 19.000 -0.669 0.000 0.819 96 A HN 0.482 nan 8.150 nan 0.000 0.442 97 I N -0.368 120.055 120.570 -0.245 0.000 2.179 97 I HA -0.285 3.873 4.170 -0.020 0.000 0.242 97 I C 2.561 178.613 176.117 -0.109 0.000 1.088 97 I CA 1.923 63.105 61.300 -0.198 0.000 1.357 97 I CB -0.233 37.595 38.000 -0.286 0.000 1.051 97 I HN 0.396 nan 8.210 nan 0.000 0.409 98 K N 1.137 121.486 120.400 -0.085 0.000 2.032 98 K HA -0.285 4.022 4.320 -0.020 0.000 0.209 98 K C 2.112 178.721 176.600 0.015 0.000 1.048 98 K CA 1.991 58.261 56.287 -0.028 0.000 0.927 98 K CB -0.154 32.335 32.500 -0.018 0.000 0.712 98 K HN 0.295 nan 8.250 nan 0.000 0.441 99 E N 0.579 120.806 120.200 0.046 0.000 2.058 99 E HA -0.208 4.130 4.350 -0.020 0.000 0.194 99 E C 2.126 178.773 176.600 0.078 0.000 0.997 99 E CA 1.300 57.759 56.400 0.098 0.000 0.801 99 E CB -0.073 29.745 29.700 0.197 0.000 0.746 99 E HN 0.357 nan 8.360 nan 0.000 0.450 100 L N 0.395 121.620 121.223 0.004 0.000 2.046 100 L HA -0.219 4.109 4.340 -0.020 0.000 0.208 100 L C 2.735 179.678 176.870 0.122 0.000 1.077 100 L CA 1.336 56.149 54.840 -0.046 0.000 0.747 100 L CB -0.399 41.505 42.059 -0.257 0.000 0.896 100 L HN 0.222 nan 8.230 nan 0.000 0.432 101 Q N -0.368 119.472 119.800 0.065 0.000 2.084 101 Q HA -0.246 4.082 4.340 -0.020 0.000 0.202 101 Q C 2.210 178.263 176.000 0.089 0.000 0.978 101 Q CA 1.388 57.237 55.803 0.077 0.000 0.844 101 Q CB -0.139 28.615 28.738 0.026 0.000 0.898 101 Q HN 0.578 nan 8.270 nan 0.000 0.426 102 Q N 0.350 120.198 119.800 0.081 0.000 2.224 102 Q HA -0.158 4.170 4.340 -0.020 0.000 0.203 102 Q C 1.495 177.558 176.000 0.105 0.000 0.970 102 Q CA 0.873 56.723 55.803 0.078 0.000 0.865 102 Q CB 0.075 28.855 28.738 0.070 0.000 0.922 102 Q HN 0.436 nan 8.270 nan 0.000 0.445 103 Q N -1.026 118.871 119.800 0.163 0.000 2.403 103 Q HA 0.065 4.393 4.340 -0.020 0.000 0.203 103 Q C 0.664 176.766 176.000 0.171 0.000 0.932 103 Q CA 0.417 56.348 55.803 0.214 0.000 0.945 103 Q CB 0.706 29.650 28.738 0.344 0.000 1.045 103 Q HN 0.546 nan 8.270 nan 0.000 0.511 104 G N -0.028 108.847 108.800 0.124 0.000 2.176 104 G HA2 -0.261 3.687 3.960 -0.020 0.000 0.232 104 G HA3 -0.261 3.687 3.960 -0.020 0.000 0.232 104 G C -0.482 174.400 174.900 -0.029 0.000 0.986 104 G CA -0.522 44.588 45.100 0.017 0.000 0.643 104 G HN 0.297 nan 8.290 nan 0.000 0.522 105 Y N 1.501 121.805 120.300 0.007 0.000 2.452 105 Y HA 0.439 4.978 4.550 -0.019 0.000 0.348 105 Y C 1.389 177.286 175.900 -0.004 0.000 0.985 105 Y CA -0.246 57.855 58.100 0.001 0.000 1.214 105 Y CB 0.917 39.355 38.460 -0.036 0.000 1.136 105 Y HN 0.026 nan 8.280 nan 0.000 0.523 106 K N 4.947 125.425 120.400 0.130 0.000 3.233 106 K HA 0.128 4.436 4.320 -0.020 0.000 0.283 106 K C -0.424 176.192 176.600 0.026 0.000 1.209 106 K CA -0.002 56.342 56.287 0.095 0.000 1.197 106 K CB -0.387 32.185 32.500 0.121 0.000 1.431 106 K HN 0.598 nan 8.250 nan 0.000 0.326 107 L N 2.833 124.019 121.223 -0.063 0.000 2.461 107 L HA 0.139 4.467 4.340 -0.020 0.000 0.272 107 L C -1.603 175.040 176.870 -0.378 0.000 1.197 107 L CA -1.797 52.846 54.840 -0.328 0.000 0.836 107 L CB -0.038 41.879 42.059 -0.237 0.000 1.105 107 L HN 0.144 nan 8.230 nan 0.000 0.477 108 P HA 0.084 nan 4.420 nan 0.000 0.274 108 P C -1.072 176.164 177.300 -0.106 0.000 1.231 108 P CA -0.545 62.332 63.100 -0.371 0.000 0.790 108 P CB 0.767 32.159 31.700 -0.514 0.000 0.951 109 D N 0.399 120.777 120.400 -0.038 0.000 2.368 109 D HA -0.003 4.625 4.640 -0.020 0.000 0.240 109 D C -0.200 176.148 176.300 0.080 0.000 1.169 109 D CA 0.480 54.478 54.000 -0.004 0.000 0.906 109 D CB 0.091 40.886 40.800 -0.008 0.000 1.187 109 D HN 0.350 nan 8.370 nan 0.000 0.435 110 Y N 2.655 122.875 120.300 -0.134 0.000 2.436 110 Y HA 0.231 4.770 4.550 -0.018 0.000 0.343 110 Y C -2.089 173.797 175.900 -0.024 0.000 1.008 110 Y CA -2.103 55.924 58.100 -0.122 0.000 1.241 110 Y CB 0.720 38.988 38.460 -0.320 0.000 1.153 110 Y HN 0.054 nan 8.280 nan 0.000 0.521 111 P HA 0.202 nan 4.420 nan 0.000 0.291 111 P C -0.415 176.578 177.300 -0.511 0.000 1.378 111 P CA -0.204 62.704 63.100 -0.320 0.000 0.853 111 P CB 1.361 32.963 31.700 -0.162 0.000 1.002 112 E N 2.018 122.009 120.200 -0.349 0.000 2.150 112 E HA -0.115 4.223 4.350 -0.020 0.000 0.193 112 E C 0.048 176.569 176.600 -0.133 0.000 0.985 112 E CA 1.048 57.311 56.400 -0.229 0.000 0.814 112 E CB 0.267 29.950 29.700 -0.027 0.000 0.752 112 E HN 0.606 nan 8.360 nan 0.000 0.466 113 E N 0.893 121.031 120.200 -0.102 0.000 3.108 113 E HA 0.192 4.530 4.350 -0.020 0.000 0.228 113 E C -2.596 173.971 176.600 -0.055 0.000 1.176 113 E CA -1.812 54.553 56.400 -0.058 0.000 0.881 113 E CB 1.448 31.131 29.700 -0.028 0.000 1.354 113 E HN 0.004 nan 8.360 nan 0.000 0.400 114 P HA -0.000 nan 4.420 nan 0.000 0.267 114 P C 0.089 177.377 177.300 -0.020 0.000 1.205 114 P CA -0.085 62.989 63.100 -0.044 0.000 0.765 114 P CB 0.718 32.393 31.700 -0.041 0.000 0.828 115 K N 0.288 120.681 120.400 -0.012 0.000 2.520 115 K HA 0.175 4.483 4.320 -0.020 0.000 0.206 115 K C 0.351 176.953 176.600 0.002 0.000 1.122 115 K CA 0.260 56.545 56.287 -0.003 0.000 1.045 115 K CB 0.626 33.124 32.500 -0.003 0.000 0.932 115 K HN 0.571 nan 8.250 nan 0.000 0.571 116 T N -2.730 111.827 114.554 0.005 0.000 2.906 116 T HA 0.348 4.686 4.350 -0.020 0.000 0.295 116 T C 0.480 175.190 174.700 0.016 0.000 1.075 116 T CA -0.592 61.515 62.100 0.011 0.000 1.005 116 T CB 2.067 70.944 68.868 0.015 0.000 1.136 116 T HN -0.284 nan 8.240 nan 0.000 0.498 117 D N 1.349 121.761 120.400 0.019 0.000 2.133 117 D HA -0.079 4.549 4.640 -0.020 0.000 0.195 117 D C 2.023 178.343 176.300 0.034 0.000 0.997 117 D CA 1.757 55.770 54.000 0.023 0.000 0.840 117 D CB -0.495 40.317 40.800 0.020 0.000 0.947 117 D HN 0.718 nan 8.370 nan 0.000 0.452 118 T N 0.725 115.304 114.554 0.041 0.000 2.737 118 T HA -0.106 4.232 4.350 -0.020 0.000 0.265 118 T C 1.790 176.530 174.700 0.066 0.000 1.038 118 T CA 1.040 63.179 62.100 0.066 0.000 1.144 118 T CB -0.155 68.758 68.868 0.075 0.000 0.866 118 T HN 0.284 nan 8.240 nan 0.000 0.434 119 E N 0.938 121.162 120.200 0.040 0.000 2.110 119 E HA -0.117 4.221 4.350 -0.020 0.000 0.193 119 E C 2.334 178.943 176.600 0.015 0.000 0.988 119 E CA 0.916 57.328 56.400 0.020 0.000 0.804 119 E CB -0.060 29.637 29.700 -0.006 0.000 0.745 119 E HN 0.452 nan 8.360 nan 0.000 0.458 120 K N 0.715 121.126 120.400 0.018 0.000 2.026 120 K HA -0.190 4.118 4.320 -0.020 0.000 0.208 120 K C 1.973 178.594 176.600 0.036 0.000 1.048 120 K CA 1.652 57.950 56.287 0.019 0.000 0.929 120 K CB -0.144 32.367 32.500 0.018 0.000 0.713 120 K HN 0.067 nan 8.250 nan 0.000 0.439 121 D N 0.427 120.855 120.400 0.047 0.000 2.097 121 D HA -0.148 4.480 4.640 -0.020 0.000 0.195 121 D C 1.753 178.099 176.300 0.078 0.000 0.989 121 D CA 0.996 55.030 54.000 0.056 0.000 0.827 121 D CB 0.166 41.004 40.800 0.064 0.000 0.966 121 D HN -0.103 nan 8.370 nan 0.000 0.456 122 V N 0.359 120.333 119.914 0.100 0.000 2.295 122 V HA -0.217 3.891 4.120 -0.020 0.000 0.246 122 V C 2.487 178.663 176.094 0.135 0.000 1.049 122 V CA 1.970 64.340 62.300 0.115 0.000 1.024 122 V CB -0.627 31.239 31.823 0.072 0.000 0.648 122 V HN 0.267 nan 8.190 nan 0.000 0.447 123 K N 0.166 120.630 120.400 0.107 0.000 2.057 123 K HA -0.168 4.140 4.320 -0.020 0.000 0.207 123 K C 2.180 178.892 176.600 0.187 0.000 1.049 123 K CA 1.497 57.857 56.287 0.122 0.000 0.931 123 K CB -0.335 32.127 32.500 -0.062 0.000 0.714 123 K HN 0.421 nan 8.250 nan 0.000 0.440 124 A N 1.488 124.374 122.820 0.110 0.000 1.908 124 A HA -0.168 4.140 4.320 -0.020 0.000 0.218 124 A C 2.090 179.732 177.584 0.098 0.000 1.181 124 A CA 1.440 53.533 52.037 0.093 0.000 0.627 124 A CB -0.443 18.589 19.000 0.053 0.000 0.818 124 A HN 0.317 nan 8.150 nan 0.000 0.445 125 R N -2.064 118.479 120.500 0.073 0.000 2.073 125 R HA -0.078 4.250 4.340 -0.020 0.000 0.229 125 R C 2.052 178.431 176.300 0.131 0.000 1.120 125 R CA 1.559 57.657 56.100 -0.003 0.000 0.967 125 R CB -0.462 29.714 30.300 -0.207 0.000 0.862 125 R HN 0.737 nan 8.270 nan 0.000 0.436 126 Y N 0.934 121.408 120.300 0.291 0.000 2.224 126 Y HA -0.211 4.326 4.550 -0.021 0.000 0.289 126 Y C 1.972 177.973 175.900 0.169 0.000 1.146 126 Y CA 0.506 58.776 58.100 0.285 0.000 1.182 126 Y CB 0.099 38.804 38.460 0.409 0.000 0.983 126 Y HN 0.064 nan 8.280 nan 0.000 0.524 127 D N 0.033 120.644 120.400 0.351 0.000 2.218 127 D HA -0.132 4.496 4.640 -0.020 0.000 0.204 127 D C 1.639 178.006 176.300 0.111 0.000 0.976 127 D CA 1.206 55.331 54.000 0.208 0.000 0.853 127 D CB -0.143 40.768 40.800 0.184 0.000 0.939 127 D HN 0.344 nan 8.370 nan 0.000 0.481 128 K N -0.016 120.444 120.400 0.101 0.000 2.366 128 K HA 0.019 4.327 4.320 -0.020 0.000 0.198 128 K C 1.553 178.180 176.600 0.045 0.000 1.044 128 K CA 0.292 56.610 56.287 0.052 0.000 0.973 128 K CB 0.513 33.030 32.500 0.028 0.000 0.767 128 K HN 0.138 nan 8.250 nan 0.000 0.475 129 I N 1.832 122.449 120.570 0.079 0.000 2.703 129 I HA -0.084 4.074 4.170 -0.020 0.000 0.259 129 I C 1.160 177.287 176.117 0.017 0.000 1.151 129 I CA 0.760 62.099 61.300 0.065 0.000 1.470 129 I CB -0.745 37.340 38.000 0.141 0.000 1.112 129 I HN 0.145 nan 8.210 nan 0.000 0.437 130 K N 1.394 121.792 120.400 -0.002 0.000 2.118 130 K HA 0.463 4.771 4.320 -0.020 0.000 0.240 130 K C 0.763 177.329 176.600 -0.056 0.000 1.035 130 K CA 0.251 56.500 56.287 -0.064 0.000 0.899 130 K CB 0.537 32.962 32.500 -0.125 0.000 1.085 130 K HN 0.182 nan 8.250 nan 0.000 0.498 131 G N 0.057 108.813 108.800 -0.075 0.000 2.645 131 G HA2 -0.295 3.653 3.960 -0.020 0.000 0.239 131 G HA3 -0.295 3.653 3.960 -0.020 0.000 0.239 131 G C -0.467 174.397 174.900 -0.060 0.000 1.331 131 G CA -0.030 45.024 45.100 -0.078 0.000 0.890 131 G HN 0.708 nan 8.290 nan 0.000 0.572 132 S N 0.739 116.397 115.700 -0.070 0.000 3.919 132 S HA 0.532 4.989 4.470 -0.020 0.000 0.245 132 S C 1.397 175.985 174.600 -0.020 0.000 1.344 132 S CA 0.758 58.935 58.200 -0.038 0.000 0.896 132 S CB -0.390 62.788 63.200 -0.037 0.000 1.557 132 S HN 1.855 nan 8.310 nan 0.000 0.468 133 A N 3.763 126.575 122.820 -0.014 0.000 2.095 133 A HA 0.190 4.498 4.320 -0.020 0.000 0.212 133 A C 1.785 179.372 177.584 0.004 0.000 1.162 133 A CA 0.441 52.476 52.037 -0.003 0.000 0.753 133 A CB -0.108 18.890 19.000 -0.003 0.000 0.840 133 A HN 0.622 nan 8.150 nan 0.000 0.468 134 V N 0.683 120.598 119.914 0.002 0.000 2.331 134 V HA -0.151 3.957 4.120 -0.020 0.000 0.242 134 V C 2.174 178.269 176.094 0.001 0.000 1.034 134 V CA 1.764 64.064 62.300 -0.001 0.000 1.027 134 V CB -0.876 30.943 31.823 -0.006 0.000 0.667 134 V HN 0.469 nan 8.190 nan 0.000 0.457 135 N N 0.524 119.231 118.700 0.010 0.000 2.061 135 N HA -0.137 4.591 4.740 -0.020 0.000 0.193 135 N C -0.523 174.993 175.510 0.011 0.000 1.030 135 N CA 1.898 54.954 53.050 0.010 0.000 0.856 135 N CB -1.759 36.750 38.487 0.035 0.000 1.023 135 N HN 0.379 nan 8.380 nan 0.000 0.424 136 P HA -0.047 nan 4.420 nan 0.000 0.219 136 P C 1.451 178.757 177.300 0.009 0.000 1.146 136 P CA 0.652 63.774 63.100 0.038 0.000 0.808 136 P CB 0.186 31.925 31.700 0.065 0.000 0.779 137 V N -1.026 118.889 119.914 0.003 0.000 2.446 137 V HA -0.101 4.007 4.120 -0.020 0.000 0.244 137 V C 2.246 178.328 176.094 -0.020 0.000 1.039 137 V CA 1.361 63.657 62.300 -0.006 0.000 1.045 137 V CB -0.933 30.887 31.823 -0.005 0.000 0.681 137 V HN 0.054 nan 8.190 nan 0.000 0.459 138 L N -0.491 120.716 121.223 -0.027 0.000 2.270 138 L HA 0.072 4.400 4.340 -0.020 0.000 0.210 138 L C 1.345 178.178 176.870 -0.062 0.000 1.104 138 L CA 0.628 55.441 54.840 -0.044 0.000 0.804 138 L CB -0.357 41.673 42.059 -0.049 0.000 0.937 138 L HN 0.175 nan 8.230 nan 0.000 0.450 139 R N 1.783 122.246 120.500 -0.062 0.000 4.154 139 R HA 0.027 4.355 4.340 -0.020 0.000 0.186 139 R C -0.085 176.168 176.300 -0.079 0.000 1.750 139 R CA -0.054 55.995 56.100 -0.085 0.000 1.431 139 R CB -0.130 30.110 30.300 -0.100 0.000 1.383 139 R HN 0.138 nan 8.270 nan 0.000 0.788 140 E N 1.327 121.483 120.200 -0.072 0.000 2.338 140 E HA 0.183 4.521 4.350 -0.020 0.000 0.231 140 E C 0.380 176.941 176.600 -0.065 0.000 1.231 140 E CA -0.106 56.259 56.400 -0.059 0.000 1.490 140 E CB 1.105 30.778 29.700 -0.045 0.000 1.360 140 E HN 0.662 nan 8.360 nan 0.000 0.435 141 G N 0.175 108.928 108.800 -0.079 0.000 2.550 141 G HA2 0.218 4.166 3.960 -0.020 0.000 0.293 141 G HA3 0.218 4.166 3.960 -0.020 0.000 0.293 141 G C -0.646 174.204 174.900 -0.083 0.000 1.402 141 G CA -0.763 44.293 45.100 -0.074 0.000 0.784 141 G HN -0.032 nan 8.290 nan 0.000 0.482 142 N N -0.555 118.111 118.700 -0.057 0.000 2.491 142 N HA 0.601 5.329 4.740 -0.020 0.000 0.279 142 N C -0.533 174.938 175.510 -0.064 0.000 1.236 142 N CA -0.302 52.718 53.050 -0.050 0.000 0.982 142 N CB 1.696 40.209 38.487 0.044 0.000 1.194 142 N HN 0.426 nan 8.380 nan 0.000 0.582 143 S N -0.112 115.554 115.700 -0.057 0.000 2.437 143 S HA 0.156 4.614 4.470 -0.020 0.000 0.305 143 S C -1.217 173.356 174.600 -0.044 0.000 1.109 143 S CA -0.641 57.517 58.200 -0.071 0.000 1.099 143 S CB 0.317 63.453 63.200 -0.106 0.000 1.004 143 S HN 0.433 nan 8.310 nan 0.000 0.475 144 D N 3.783 124.152 120.400 -0.051 0.000 2.462 144 D HA 0.258 4.885 4.640 -0.020 0.000 0.249 144 D C -0.374 175.904 176.300 -0.037 0.000 1.117 144 D CA -0.350 53.625 54.000 -0.041 0.000 0.900 144 D CB 0.321 41.104 40.800 -0.029 0.000 1.039 144 D HN 0.490 nan 8.370 nan 0.000 0.516 145 R N 3.341 123.814 120.500 -0.045 0.000 2.343 145 R HA 0.601 4.928 4.340 -0.020 0.000 0.320 145 R C -0.475 175.804 176.300 -0.035 0.000 0.956 145 R CA -0.670 55.407 56.100 -0.037 0.000 0.836 145 R CB 0.755 31.029 30.300 -0.043 0.000 1.151 145 R HN 0.483 nan 8.270 nan 0.000 0.450 146 R N 2.056 122.542 120.500 -0.024 0.000 2.664 146 R HA 0.516 4.844 4.340 -0.020 0.000 0.266 146 R C -1.682 174.608 176.300 -0.016 0.000 1.046 146 R CA -1.017 55.068 56.100 -0.025 0.000 0.885 146 R CB 1.134 31.415 30.300 -0.032 0.000 1.254 146 R HN 0.479 nan 8.270 nan 0.000 0.465 147 A N 2.354 125.165 122.820 -0.014 0.000 2.354 147 A HA 0.563 4.871 4.320 -0.020 0.000 0.269 147 A C -2.167 175.412 177.584 -0.008 0.000 1.109 147 A CA -1.452 50.578 52.037 -0.010 0.000 0.800 147 A CB -0.067 18.931 19.000 -0.003 0.000 1.045 147 A HN 0.534 nan 8.150 nan 0.000 0.489 148 P HA 0.117 nan 4.420 nan 0.000 0.272 148 P C 0.998 178.298 177.300 0.001 0.000 1.230 148 P CA -0.570 62.526 63.100 -0.007 0.000 0.788 148 P CB 0.497 32.189 31.700 -0.013 0.000 0.949 149 L N 2.632 123.855 121.223 0.001 0.000 2.079 149 L HA -0.218 4.110 4.340 -0.020 0.000 0.210 149 L C 2.110 178.994 176.870 0.024 0.000 1.081 149 L CA 2.484 57.329 54.840 0.009 0.000 0.752 149 L CB -1.518 40.542 42.059 0.002 0.000 0.896 149 L HN 0.451 nan 8.230 nan 0.000 0.433 150 S N -1.810 113.900 115.700 0.017 0.000 2.370 150 S HA -0.192 4.266 4.470 -0.020 0.000 0.226 150 S C 1.933 176.572 174.600 0.065 0.000 1.033 150 S CA 1.572 59.789 58.200 0.029 0.000 1.011 150 S CB -1.310 61.887 63.200 -0.005 0.000 0.852 150 S HN 0.267 nan 8.310 nan 0.000 0.457 151 V N 2.370 122.308 119.914 0.041 0.000 2.358 151 V HA -0.096 4.012 4.120 -0.020 0.000 0.246 151 V C 2.777 178.938 176.094 0.112 0.000 1.047 151 V CA 2.116 64.454 62.300 0.063 0.000 1.035 151 V CB -0.814 31.018 31.823 0.014 0.000 0.658 151 V HN 0.493 nan 8.190 nan 0.000 0.452 152 K N 1.212 121.657 120.400 0.074 0.000 2.026 152 K HA -0.168 4.139 4.320 -0.020 0.000 0.208 152 K C 1.874 178.530 176.600 0.094 0.000 1.048 152 K CA 1.843 58.174 56.287 0.073 0.000 0.929 152 K CB -0.554 31.969 32.500 0.038 0.000 0.713 152 K HN 0.400 nan 8.250 nan 0.000 0.439 153 N N -0.424 118.331 118.700 0.091 0.000 2.166 153 N HA -0.182 4.546 4.740 -0.020 0.000 0.186 153 N C 1.654 177.246 175.510 0.136 0.000 1.019 153 N CA 1.263 54.366 53.050 0.090 0.000 0.856 153 N CB -0.435 38.097 38.487 0.076 0.000 0.993 153 N HN 0.313 nan 8.380 nan 0.000 0.426 154 Y N 1.437 121.783 120.300 0.076 0.000 2.242 154 Y HA -0.066 4.472 4.550 -0.020 0.000 0.291 154 Y C 2.279 178.300 175.900 0.202 0.000 1.137 154 Y CA 1.425 59.605 58.100 0.134 0.000 1.181 154 Y CB -0.336 38.146 38.460 0.036 0.000 0.989 154 Y HN 0.071 nan 8.280 nan 0.000 0.527 155 A N 0.381 123.335 122.820 0.223 0.000 1.902 155 A HA -0.170 4.138 4.320 -0.020 0.000 0.217 155 A C 2.334 179.976 177.584 0.095 0.000 1.181 155 A CA 1.571 53.720 52.037 0.187 0.000 0.623 155 A CB -0.628 18.495 19.000 0.205 0.000 0.818 155 A HN 0.466 nan 8.150 nan 0.000 0.443 156 R N -0.243 120.294 120.500 0.061 0.000 2.091 156 R HA -0.137 4.190 4.340 -0.020 0.000 0.238 156 R C 1.923 178.183 176.300 -0.065 0.000 1.136 156 R CA 1.849 57.954 56.100 0.008 0.000 0.959 156 R CB -0.204 30.101 30.300 0.009 0.000 0.856 156 R HN 0.545 nan 8.270 nan 0.000 0.437 157 K N -1.099 119.231 120.400 -0.115 0.000 2.305 157 K HA -0.027 4.281 4.320 -0.020 0.000 0.199 157 K C -0.038 176.197 176.600 -0.607 0.000 1.047 157 K CA 0.758 56.853 56.287 -0.320 0.000 0.976 157 K CB 0.255 32.557 32.500 -0.331 0.000 0.765 157 K HN 0.272 nan 8.250 nan 0.000 0.474 158 H N 0.151 119.049 119.070 -0.287 0.000 2.380 158 H HA 0.248 4.792 4.556 -0.020 0.000 0.231 158 H C -2.724 172.553 175.328 -0.085 0.000 1.415 158 H CA -2.248 53.655 56.048 -0.242 0.000 1.433 158 H CB 0.272 29.763 29.762 -0.451 0.000 1.544 158 H HN -0.068 nan 8.280 nan 0.000 0.503 159 P HA -0.075 nan 4.420 nan 0.000 0.261 159 P C 0.251 177.544 177.300 -0.012 0.000 1.183 159 P CA 0.403 63.480 63.100 -0.039 0.000 0.761 159 P CB 0.467 32.108 31.700 -0.098 0.000 0.785 160 H N 1.808 120.915 119.070 0.063 0.000 2.544 160 H HA 0.375 4.925 4.556 -0.010 0.000 0.365 160 H C -0.038 175.327 175.328 0.061 0.000 1.268 160 H CA -0.654 55.434 56.048 0.067 0.000 1.400 160 H CB 0.632 30.438 29.762 0.073 0.000 1.538 160 H HN 0.273 nan 8.280 nan 0.000 0.597 161 K N 1.012 121.479 120.400 0.111 0.000 2.350 161 K HA 0.207 4.515 4.320 -0.020 0.000 0.279 161 K C -0.134 176.518 176.600 0.088 0.000 1.027 161 K CA -0.236 56.083 56.287 0.053 0.000 0.969 161 K CB 0.545 33.086 32.500 0.069 0.000 0.954 161 K HN 0.418 nan 8.250 nan 0.000 0.474 162 M N 1.919 121.544 119.600 0.041 0.000 2.259 162 M HA 0.208 4.676 4.480 -0.020 0.000 0.304 162 M C 0.142 176.486 176.300 0.074 0.000 1.019 162 M CA -0.788 54.571 55.300 0.098 0.000 0.922 162 M CB 1.570 34.229 32.600 0.097 0.000 1.600 162 M HN 0.718 nan 8.290 nan 0.000 0.433 163 G N 2.298 111.136 108.800 0.063 0.000 2.340 163 G HA2 0.409 4.357 3.960 -0.020 0.000 0.245 163 G HA3 0.409 4.357 3.960 -0.020 0.000 0.245 163 G C 0.196 175.093 174.900 -0.005 0.000 1.294 163 G CA -0.316 44.768 45.100 -0.026 0.000 0.896 163 G HN 0.910 nan 8.290 nan 0.000 0.522 164 A N 2.139 124.935 122.820 -0.039 0.000 2.462 164 A HA 0.475 4.782 4.320 -0.020 0.000 0.243 164 A C -0.614 176.936 177.584 -0.056 0.000 1.076 164 A CA -0.086 51.956 52.037 0.008 0.000 0.773 164 A CB 0.317 19.310 19.000 -0.012 0.000 1.010 164 A HN 0.679 nan 8.150 nan 0.000 0.493 165 W N 1.096 122.367 121.300 -0.049 0.000 2.573 165 W HA 0.537 5.183 4.660 -0.024 0.000 0.326 165 W C 0.530 177.021 176.519 -0.047 0.000 1.049 165 W CA 0.063 57.376 57.345 -0.053 0.000 1.220 165 W CB 1.999 31.415 29.460 -0.074 0.000 1.373 165 W HN 0.691 nan 8.180 nan 0.000 0.507 166 S N 2.014 117.814 115.700 0.167 0.000 2.509 166 S HA 0.584 5.042 4.470 -0.020 0.000 0.297 166 S C 0.812 175.502 174.600 0.151 0.000 1.118 166 S CA -0.101 58.161 58.200 0.104 0.000 1.074 166 S CB 1.459 64.671 63.200 0.020 0.000 1.038 166 S HN 0.612 nan 8.310 nan 0.000 0.498 167 A N 3.025 125.898 122.820 0.089 0.000 2.121 167 A HA 0.045 4.353 4.320 -0.020 0.000 0.218 167 A C 1.191 178.811 177.584 0.061 0.000 1.154 167 A CA 1.102 53.177 52.037 0.064 0.000 0.679 167 A CB -0.296 18.714 19.000 0.018 0.000 0.795 167 A HN 0.860 nan 8.150 nan 0.000 0.458 168 D N -0.080 120.352 120.400 0.053 0.000 2.328 168 D HA 0.071 4.699 4.640 -0.020 0.000 0.221 168 D C 0.537 176.867 176.300 0.049 0.000 1.072 168 D CA 0.230 54.253 54.000 0.039 0.000 0.850 168 D CB 0.055 40.868 40.800 0.020 0.000 0.922 168 D HN 0.299 nan 8.370 nan 0.000 0.516 169 S N 0.683 116.433 115.700 0.084 0.000 2.552 169 S HA -0.028 4.430 4.470 -0.020 0.000 0.289 169 S C 1.124 175.787 174.600 0.105 0.000 1.304 169 S CA 0.084 58.333 58.200 0.083 0.000 1.063 169 S CB 0.799 64.098 63.200 0.165 0.000 0.848 169 S HN 0.029 nan 8.310 nan 0.000 0.499 170 K N 2.393 122.847 120.400 0.089 0.000 2.374 170 K HA 0.152 4.459 4.320 -0.020 0.000 0.196 170 K C 0.257 177.011 176.600 0.256 0.000 1.023 170 K CA -0.101 56.261 56.287 0.125 0.000 1.103 170 K CB 0.356 32.911 32.500 0.092 0.000 0.848 170 K HN 0.432 nan 8.250 nan 0.000 0.528 171 S N 1.750 117.580 115.700 0.215 0.000 2.576 171 S HA 0.110 4.568 4.470 -0.020 0.000 0.276 171 S C -0.223 174.587 174.600 0.349 0.000 1.339 171 S CA -0.302 58.029 58.200 0.219 0.000 1.039 171 S CB 0.360 63.634 63.200 0.123 0.000 0.902 171 S HN 0.387 nan 8.310 nan 0.000 0.516 172 H N -1.663 117.466 119.070 0.100 0.000 2.935 172 H HA 0.402 4.946 4.556 -0.020 0.000 0.297 172 H C -1.899 173.480 175.328 0.086 0.000 1.423 172 H CA -0.830 55.276 56.048 0.096 0.000 1.161 172 H CB -0.133 29.673 29.762 0.073 0.000 1.841 172 H HN 0.354 nan 8.280 nan 0.000 0.506 173 V N 0.662 120.655 119.914 0.132 0.000 2.481 173 V HA 0.643 4.751 4.120 -0.020 0.000 0.286 173 V C 0.470 176.664 176.094 0.166 0.000 1.042 173 V CA -0.139 62.222 62.300 0.101 0.000 0.928 173 V CB 1.043 32.987 31.823 0.202 0.000 0.986 173 V HN 0.948 nan 8.190 nan 0.000 0.462 174 A N 4.223 127.134 122.820 0.152 0.000 2.287 174 A HA 0.833 5.141 4.320 -0.020 0.000 0.317 174 A C -0.647 177.158 177.584 0.368 0.000 1.220 174 A CA -0.452 51.711 52.037 0.210 0.000 0.835 174 A CB 0.402 19.510 19.000 0.180 0.000 1.180 174 A HN 1.204 nan 8.150 nan 0.000 0.500 175 H N -0.036 119.241 119.070 0.346 0.000 2.894 175 H HA 0.761 5.304 4.556 -0.021 0.000 0.368 175 H C -0.496 174.736 175.328 -0.160 0.000 1.181 175 H CA -1.239 54.835 56.048 0.043 0.000 1.146 175 H CB 0.436 30.197 29.762 -0.002 0.000 1.839 175 H HN 0.505 nan 8.280 nan 0.000 0.557 176 M N 0.833 120.166 119.600 -0.446 0.000 2.232 176 M HA 0.092 4.560 4.480 -0.020 0.000 0.321 176 M C 0.079 176.437 176.300 0.097 0.000 1.101 176 M CA 0.182 55.272 55.300 -0.349 0.000 1.181 176 M CB 0.447 32.767 32.600 -0.467 0.000 1.432 176 M HN 0.699 nan 8.290 nan 0.000 0.457 177 D N 0.317 120.774 120.400 0.095 0.000 2.389 177 D HA 0.142 4.770 4.640 -0.020 0.000 0.206 177 D C -0.308 176.043 176.300 0.085 0.000 1.055 177 D CA 0.501 54.576 54.000 0.126 0.000 0.856 177 D CB 0.304 41.175 40.800 0.119 0.000 0.957 177 D HN 0.703 nan 8.370 nan 0.000 0.509 178 N N -2.371 116.360 118.700 0.052 0.000 3.185 178 N HA 0.213 4.940 4.740 -0.020 0.000 0.238 178 N C 0.469 175.984 175.510 0.009 0.000 1.451 178 N CA -0.176 52.901 53.050 0.045 0.000 0.888 178 N CB 1.446 39.963 38.487 0.051 0.000 1.413 178 N HN -0.073 nan 8.380 nan 0.000 0.511 179 G N -0.010 108.793 108.800 0.004 0.000 2.148 179 G HA2 -0.264 3.684 3.960 -0.020 0.000 0.254 179 G HA3 -0.264 3.684 3.960 -0.020 0.000 0.254 179 G C -0.431 174.415 174.900 -0.090 0.000 0.981 179 G CA 1.153 46.237 45.100 -0.026 0.000 0.670 179 G HN 1.159 nan 8.290 nan 0.000 0.528 180 D N -1.044 119.306 120.400 -0.084 0.000 2.549 180 D HA 0.586 5.214 4.640 -0.020 0.000 0.270 180 D C 1.276 177.511 176.300 -0.109 0.000 1.181 180 D CA -1.423 52.478 54.000 -0.165 0.000 1.070 180 D CB -0.080 40.659 40.800 -0.101 0.000 1.154 180 D HN -0.004 nan 8.370 nan 0.000 0.602 181 F N -1.317 118.636 119.950 0.006 0.000 2.134 181 F HA -0.150 4.365 4.527 -0.019 0.000 0.299 181 F C 2.309 178.100 175.800 -0.015 0.000 1.097 181 F CA 0.949 58.934 58.000 -0.025 0.000 1.264 181 F CB -0.502 38.472 39.000 -0.042 0.000 1.001 181 F HN 0.379 nan 8.300 nan 0.000 0.479 182 Y N 1.024 121.371 120.300 0.079 0.000 2.114 182 Y HA -0.205 4.332 4.550 -0.021 0.000 0.282 182 Y C 2.406 178.300 175.900 -0.010 0.000 1.165 182 Y CA 1.646 59.739 58.100 -0.012 0.000 1.148 182 Y CB -0.912 37.505 38.460 -0.072 0.000 0.972 182 Y HN -0.015 nan 8.280 nan 0.000 0.504 183 G N -1.822 107.034 108.800 0.093 0.000 2.598 183 G HA2 -0.121 3.826 3.960 -0.020 0.000 0.215 183 G HA3 -0.121 3.826 3.960 -0.020 0.000 0.215 183 G C 1.268 176.143 174.900 -0.041 0.000 1.131 183 G CA 0.813 45.913 45.100 0.002 0.000 0.785 183 G HN 0.500 nan 8.290 nan 0.000 0.539 184 S N -0.933 114.754 115.700 -0.022 0.000 2.578 184 S HA 0.256 4.714 4.470 -0.020 0.000 0.231 184 S C 0.345 174.933 174.600 -0.019 0.000 0.994 184 S CA -0.407 57.790 58.200 -0.005 0.000 0.956 184 S CB 0.381 63.597 63.200 0.027 0.000 0.870 184 S HN 0.389 nan 8.310 nan 0.000 0.494 185 E N 2.027 122.189 120.200 -0.062 0.000 2.415 185 E HA 0.155 4.493 4.350 -0.020 0.000 0.263 185 E C -0.771 175.799 176.600 -0.051 0.000 0.995 185 E CA 0.386 56.745 56.400 -0.070 0.000 0.915 185 E CB 0.381 30.017 29.700 -0.106 0.000 0.951 185 E HN 0.346 nan 8.360 nan 0.000 0.449 186 K N 1.983 122.366 120.400 -0.028 0.000 2.464 186 K HA 0.681 4.988 4.320 -0.020 0.000 0.253 186 K C -1.376 175.229 176.600 0.009 0.000 0.933 186 K CA -0.836 55.450 56.287 -0.001 0.000 0.801 186 K CB 2.206 34.723 32.500 0.028 0.000 1.271 186 K HN 0.477 nan 8.250 nan 0.000 0.430 187 A N 1.156 123.987 122.820 0.018 0.000 2.479 187 A HA 0.942 5.250 4.320 -0.020 0.000 0.296 187 A C -1.656 175.946 177.584 0.030 0.000 1.121 187 A CA -0.712 51.344 52.037 0.033 0.000 0.743 187 A CB 1.912 20.939 19.000 0.045 0.000 1.323 187 A HN 0.698 nan 8.150 nan 0.000 0.415 188 A N 0.078 122.920 122.820 0.036 0.000 2.486 188 A HA 0.657 4.965 4.320 -0.020 0.000 0.300 188 A C -1.642 175.959 177.584 0.029 0.000 1.048 188 A CA -0.425 51.630 52.037 0.031 0.000 0.696 188 A CB 1.321 20.345 19.000 0.040 0.000 1.278 188 A HN 1.762 nan 8.150 nan 0.000 0.405 189 L N 3.576 124.810 121.223 0.020 0.000 2.265 189 L HA 0.497 4.825 4.340 -0.020 0.000 0.289 189 L C -0.538 176.346 176.870 0.023 0.000 1.033 189 L CA -0.555 54.296 54.840 0.019 0.000 0.814 189 L CB 0.530 42.593 42.059 0.007 0.000 1.203 189 L HN 0.559 nan 8.230 nan 0.000 0.423 190 I N 5.388 125.976 120.570 0.029 0.000 2.598 190 I HA 0.085 4.243 4.170 -0.020 0.000 0.284 190 I C 1.514 177.647 176.117 0.026 0.000 1.140 190 I CA 0.536 61.854 61.300 0.029 0.000 1.420 190 I CB 0.445 38.465 38.000 0.033 0.000 1.387 190 I HN 0.813 nan 8.210 nan 0.000 0.553 191 G N 5.404 114.217 108.800 0.022 0.000 2.396 191 G HA2 0.265 4.213 3.960 -0.020 0.000 0.214 191 G HA3 0.265 4.213 3.960 -0.020 0.000 0.214 191 G C 0.502 175.414 174.900 0.020 0.000 1.166 191 G CA 0.816 45.927 45.100 0.019 0.000 0.793 191 G HN 0.726 nan 8.290 nan 0.000 0.533 192 A N -0.782 122.050 122.820 0.020 0.000 2.566 192 A HA 0.773 5.080 4.320 -0.020 0.000 0.292 192 A C -2.943 174.653 177.584 0.020 0.000 1.112 192 A CA -1.264 50.785 52.037 0.019 0.000 0.707 192 A CB 0.828 19.837 19.000 0.016 0.000 1.302 192 A HN 0.035 nan 8.150 nan 0.000 0.409 193 P HA 0.449 nan 4.420 nan 0.000 0.267 193 P C 0.554 177.866 177.300 0.019 0.000 1.200 193 P CA 1.156 64.267 63.100 0.019 0.000 0.772 193 P CB 0.833 32.543 31.700 0.016 0.000 0.855 194 G N 0.158 108.970 108.800 0.020 0.000 2.452 194 G HA2 0.501 4.448 3.960 -0.020 0.000 0.224 194 G HA3 0.501 4.448 3.960 -0.020 0.000 0.224 194 G C -1.439 173.475 174.900 0.024 0.000 1.208 194 G CA 0.103 45.216 45.100 0.020 0.000 0.946 194 G HN 0.789 nan 8.290 nan 0.000 0.481 195 S N -1.581 114.134 115.700 0.026 0.000 2.552 195 S HA 0.782 5.240 4.470 -0.020 0.000 0.272 195 S C -0.803 173.818 174.600 0.034 0.000 1.150 195 S CA 0.049 58.268 58.200 0.031 0.000 0.849 195 S CB 1.278 64.495 63.200 0.028 0.000 1.113 195 S HN 2.222 nan 8.310 nan 0.000 0.458 196 V N -0.784 119.156 119.914 0.044 0.000 2.919 196 V HA 0.820 4.928 4.120 -0.020 0.000 0.316 196 V C -0.494 175.627 176.094 0.045 0.000 1.077 196 V CA -0.926 61.403 62.300 0.048 0.000 0.977 196 V CB 1.650 33.513 31.823 0.067 0.000 1.039 196 V HN 1.211 nan 8.190 nan 0.000 0.441 197 K N 2.400 122.818 120.400 0.030 0.000 2.221 197 K HA 0.686 4.994 4.320 -0.020 0.000 0.258 197 K C -1.439 175.156 176.600 -0.009 0.000 0.944 197 K CA -0.835 55.456 56.287 0.006 0.000 0.823 197 K CB 1.790 34.283 32.500 -0.012 0.000 1.113 197 K HN 0.840 nan 8.250 nan 0.000 0.431 198 I N 3.652 124.195 120.570 -0.046 0.000 2.354 198 I HA 0.268 4.426 4.170 -0.020 0.000 0.286 198 I C -0.283 175.686 176.117 -0.246 0.000 1.007 198 I CA -0.426 60.792 61.300 -0.137 0.000 1.167 198 I CB 1.535 39.466 38.000 -0.114 0.000 1.320 198 I HN 0.570 nan 8.210 nan 0.000 0.458 199 E N 4.985 125.036 120.200 -0.248 0.000 2.288 199 E HA 0.489 4.827 4.350 -0.020 0.000 0.268 199 E C -1.549 174.887 176.600 -0.273 0.000 0.885 199 E CA -1.088 55.168 56.400 -0.239 0.000 0.767 199 E CB 3.393 33.005 29.700 -0.147 0.000 1.220 199 E HN 0.277 nan 8.360 nan 0.000 0.427 200 L N 3.968 125.041 121.223 -0.249 0.000 2.280 200 L HA 0.377 4.705 4.340 -0.020 0.000 0.287 200 L C -1.318 175.470 176.870 -0.138 0.000 1.023 200 L CA -0.442 54.268 54.840 -0.217 0.000 0.819 200 L CB 0.861 42.788 42.059 -0.220 0.000 1.212 200 L HN 0.404 nan 8.230 nan 0.000 0.420 201 I N 5.836 126.341 120.570 -0.108 0.000 2.307 201 I HA 0.410 4.567 4.170 -0.020 0.000 0.287 201 I C 0.819 176.902 176.117 -0.057 0.000 1.054 201 I CA -0.311 60.946 61.300 -0.072 0.000 1.218 201 I CB 0.444 38.411 38.000 -0.056 0.000 1.398 201 I HN 0.770 nan 8.210 nan 0.000 0.475 202 A N 6.102 128.892 122.820 -0.051 0.000 2.327 202 A HA 0.278 4.586 4.320 -0.020 0.000 0.255 202 A C 1.339 178.908 177.584 -0.025 0.000 1.099 202 A CA -0.112 51.903 52.037 -0.037 0.000 0.801 202 A CB 0.546 19.525 19.000 -0.034 0.000 1.062 202 A HN 0.621 nan 8.150 nan 0.000 0.496 203 K N 0.490 120.880 120.400 -0.017 0.000 2.057 203 K HA -0.088 4.220 4.320 -0.020 0.000 0.206 203 K C 1.183 177.776 176.600 -0.011 0.000 1.050 203 K CA 1.645 57.926 56.287 -0.011 0.000 0.935 203 K CB -0.117 32.380 32.500 -0.005 0.000 0.715 203 K HN 0.838 nan 8.250 nan 0.000 0.439 204 D N -0.938 119.454 120.400 -0.012 0.000 2.368 204 D HA -0.023 4.605 4.640 -0.020 0.000 0.250 204 D C 1.094 177.386 176.300 -0.014 0.000 1.142 204 D CA 0.977 54.970 54.000 -0.011 0.000 0.925 204 D CB -0.359 40.434 40.800 -0.011 0.000 0.896 204 D HN 0.313 nan 8.370 nan 0.000 0.525 205 G N -0.075 108.715 108.800 -0.016 0.000 2.458 205 G HA2 -0.353 3.595 3.960 -0.020 0.000 0.237 205 G HA3 -0.353 3.595 3.960 -0.020 0.000 0.237 205 G C 0.488 175.373 174.900 -0.024 0.000 1.113 205 G CA 0.520 45.609 45.100 -0.018 0.000 0.655 205 G HN 0.730 nan 8.290 nan 0.000 0.513 206 S N 0.100 115.785 115.700 -0.025 0.000 2.549 206 S HA 0.425 4.882 4.470 -0.020 0.000 0.278 206 S C 0.443 175.018 174.600 -0.042 0.000 1.344 206 S CA 1.357 59.539 58.200 -0.031 0.000 1.025 206 S CB 0.915 64.098 63.200 -0.029 0.000 0.851 206 S HN 1.613 nan 8.310 nan 0.000 0.530 207 S N 1.398 117.070 115.700 -0.047 0.000 2.557 207 S HA 0.639 5.097 4.470 -0.020 0.000 0.291 207 S C -1.249 173.307 174.600 -0.074 0.000 1.116 207 S CA -0.608 57.554 58.200 -0.063 0.000 0.992 207 S CB 1.435 64.601 63.200 -0.057 0.000 1.028 207 S HN 0.784 nan 8.310 nan 0.000 0.484 208 T N 3.662 118.156 114.554 -0.101 0.000 2.840 208 T HA 0.372 4.710 4.350 -0.020 0.000 0.287 208 T C -0.625 173.979 174.700 -0.160 0.000 0.991 208 T CA -0.451 61.580 62.100 -0.116 0.000 0.964 208 T CB 1.303 70.100 68.868 -0.119 0.000 0.954 208 T HN 0.473 nan 8.240 nan 0.000 0.438 209 V N 5.531 125.360 119.914 -0.142 0.000 2.439 209 V HA 0.141 4.249 4.120 -0.020 0.000 0.271 209 V C 1.330 177.278 176.094 -0.243 0.000 1.040 209 V CA 0.075 62.275 62.300 -0.168 0.000 1.002 209 V CB 0.301 32.059 31.823 -0.108 0.000 1.000 209 V HN 0.853 nan 8.190 nan 0.000 0.477 210 L N 3.497 124.487 121.223 -0.389 0.000 2.162 210 L HA 0.210 4.538 4.340 -0.020 0.000 0.205 210 L C 1.159 177.720 176.870 -0.515 0.000 1.086 210 L CA 0.939 55.357 54.840 -0.704 0.000 0.778 210 L CB 0.002 41.323 42.059 -1.229 0.000 0.928 210 L HN 0.540 nan 8.230 nan 0.000 0.446 211 K N -0.621 119.627 120.400 -0.254 0.000 2.695 211 K HA 0.353 4.661 4.320 -0.020 0.000 0.255 211 K C 0.286 176.879 176.600 -0.011 0.000 1.016 211 K CA -0.025 56.257 56.287 -0.009 0.000 0.928 211 K CB 1.657 34.279 32.500 0.203 0.000 1.235 211 K HN -0.050 nan 8.250 nan 0.000 0.467 212 A N 3.927 126.742 122.820 -0.009 0.000 1.908 212 A HA -0.126 4.181 4.320 -0.020 0.000 0.218 212 A C 0.641 178.232 177.584 0.013 0.000 1.181 212 A CA 1.425 53.457 52.037 -0.008 0.000 0.627 212 A CB -0.024 18.973 19.000 -0.006 0.000 0.818 212 A HN 0.556 nan 8.150 nan 0.000 0.445 213 K N -1.204 119.215 120.400 0.033 0.000 2.501 213 K HA 0.484 4.792 4.320 -0.020 0.000 0.252 213 K C -1.832 174.802 176.600 0.056 0.000 0.934 213 K CA -0.298 56.012 56.287 0.038 0.000 0.797 213 K CB 1.799 34.316 32.500 0.029 0.000 1.270 213 K HN 0.032 nan 8.250 nan 0.000 0.431 214 T N 1.984 116.572 114.554 0.057 0.000 3.066 214 T HA 0.210 4.548 4.350 -0.020 0.000 0.318 214 T C -0.963 173.767 174.700 0.049 0.000 0.979 214 T CA -0.585 61.553 62.100 0.063 0.000 1.025 214 T CB 1.331 70.252 68.868 0.088 0.000 1.002 214 T HN 0.504 nan 8.240 nan 0.000 0.453 215 S N 2.540 118.264 115.700 0.039 0.000 2.562 215 S HA 0.437 4.895 4.470 -0.020 0.000 0.281 215 S C 0.540 175.160 174.600 0.032 0.000 1.333 215 S CA -0.693 57.526 58.200 0.032 0.000 1.052 215 S CB 0.412 63.627 63.200 0.026 0.000 0.884 215 S HN 0.712 nan 8.310 nan 0.000 0.506 216 V N 1.552 121.485 119.914 0.031 0.000 2.876 216 V HA 0.621 4.729 4.120 -0.020 0.000 0.312 216 V C -0.828 175.282 176.094 0.027 0.000 1.085 216 V CA -1.100 61.219 62.300 0.031 0.000 0.945 216 V CB 1.592 33.437 31.823 0.036 0.000 1.017 216 V HN 0.824 nan 8.190 nan 0.000 0.428 217 Q N 1.999 121.815 119.800 0.027 0.000 2.204 217 Q HA 0.793 5.120 4.340 -0.020 0.000 0.254 217 Q C 0.122 176.139 176.000 0.029 0.000 0.981 217 Q CA -0.590 55.228 55.803 0.025 0.000 0.897 217 Q CB 2.008 30.761 28.738 0.024 0.000 1.273 217 Q HN 1.192 nan 8.270 nan 0.000 0.464 218 A N 0.339 123.176 122.820 0.028 0.000 2.511 218 A HA 0.431 4.739 4.320 -0.020 0.000 0.242 218 A C 1.113 178.720 177.584 0.039 0.000 1.069 218 A CA 0.736 52.791 52.037 0.031 0.000 0.763 218 A CB -0.743 18.274 19.000 0.028 0.000 1.001 218 A HN 0.999 nan 8.150 nan 0.000 0.498 219 G N 0.896 109.721 108.800 0.042 0.000 2.184 219 G HA2 -0.263 3.684 3.960 -0.020 0.000 0.264 219 G HA3 -0.263 3.684 3.960 -0.020 0.000 0.264 219 G C 0.222 175.156 174.900 0.055 0.000 0.975 219 G CA 0.680 45.812 45.100 0.055 0.000 0.642 219 G HN 1.122 nan 8.290 nan 0.000 0.536 220 E N 0.035 120.262 120.200 0.045 0.000 2.354 220 E HA 0.515 4.853 4.350 -0.020 0.000 0.269 220 E C 0.342 176.969 176.600 0.044 0.000 1.036 220 E CA -0.623 55.804 56.400 0.044 0.000 0.876 220 E CB 0.308 30.031 29.700 0.037 0.000 1.009 220 E HN 0.359 nan 8.360 nan 0.000 0.416 221 I N 6.131 126.730 120.570 0.050 0.000 2.354 221 I HA 0.303 4.461 4.170 -0.020 0.000 0.292 221 I C -0.039 176.124 176.117 0.077 0.000 0.989 221 I CA -0.687 60.647 61.300 0.056 0.000 1.188 221 I CB 0.956 38.981 38.000 0.040 0.000 1.342 221 I HN 0.451 nan 8.210 nan 0.000 0.457 222 I N 2.967 123.577 120.570 0.067 0.000 2.569 222 I HA 0.758 4.915 4.170 -0.020 0.000 0.296 222 I C -1.687 174.460 176.117 0.050 0.000 1.028 222 I CA -0.554 60.777 61.300 0.053 0.000 1.082 222 I CB 2.205 40.236 38.000 0.052 0.000 1.264 222 I HN 0.504 nan 8.210 nan 0.000 0.429 223 D N 2.818 123.218 120.400 0.001 0.000 2.753 223 D HA 0.610 5.237 4.640 -0.020 0.000 0.224 223 D C -1.052 175.159 176.300 -0.149 0.000 1.213 223 D CA -0.678 53.303 54.000 -0.033 0.000 0.833 223 D CB 2.061 42.859 40.800 -0.004 0.000 1.607 223 D HN 0.741 nan 8.370 nan 0.000 0.463 224 S N -0.096 115.510 115.700 -0.157 0.000 2.566 224 S HA 0.909 5.367 4.470 -0.020 0.000 0.298 224 S C -0.582 173.840 174.600 -0.297 0.000 1.083 224 S CA -0.672 57.299 58.200 -0.381 0.000 0.978 224 S CB 1.498 64.577 63.200 -0.202 0.000 1.073 224 S HN 0.965 nan 8.310 nan 0.000 0.491 225 S N -0.060 115.387 115.700 -0.421 0.000 2.588 225 S HA 0.788 5.246 4.470 -0.020 0.000 0.269 225 S C -1.388 173.220 174.600 0.013 0.000 1.157 225 S CA -0.774 57.365 58.200 -0.101 0.000 0.824 225 S CB 1.221 64.439 63.200 0.029 0.000 1.126 225 S HN 1.740 nan 8.310 nan 0.000 0.464 226 V N 1.772 121.779 119.914 0.155 0.000 2.808 226 V HA 0.782 4.889 4.120 -0.020 0.000 0.308 226 V C -1.511 174.457 176.094 -0.211 0.000 1.099 226 V CA -0.746 61.623 62.300 0.117 0.000 0.920 226 V CB 2.031 33.961 31.823 0.179 0.000 1.014 226 V HN 1.120 nan 8.190 nan 0.000 0.425 227 M N 6.113 125.399 119.600 -0.525 0.000 2.063 227 M HA 0.514 4.982 4.480 -0.020 0.000 0.348 227 M C -0.056 176.098 176.300 -0.243 0.000 1.180 227 M CA 0.409 55.288 55.300 -0.703 0.000 1.059 227 M CB 0.973 32.923 32.600 -1.083 0.000 1.544 227 M HN 0.779 nan 8.290 nan 0.000 0.447 228 S N 4.023 119.632 115.700 -0.153 0.000 2.510 228 S HA 0.157 4.615 4.470 -0.020 0.000 0.279 228 S C 1.146 175.731 174.600 -0.024 0.000 1.284 228 S CA -0.169 58.002 58.200 -0.048 0.000 1.059 228 S CB 0.325 63.512 63.200 -0.022 0.000 0.901 228 S HN 0.944 nan 8.310 nan 0.000 0.491 229 K N 4.393 124.798 120.400 0.009 0.000 2.057 229 K HA -0.133 4.175 4.320 -0.020 0.000 0.207 229 K C 1.556 178.179 176.600 0.039 0.000 1.049 229 K CA 1.505 57.810 56.287 0.030 0.000 0.931 229 K CB -0.149 32.377 32.500 0.043 0.000 0.714 229 K HN 0.619 nan 8.250 nan 0.000 0.440 230 N N 0.612 119.333 118.700 0.036 0.000 2.084 230 N HA -0.142 4.586 4.740 -0.020 0.000 0.190 230 N C 1.694 177.235 175.510 0.052 0.000 1.030 230 N CA 1.441 54.516 53.050 0.041 0.000 0.849 230 N CB -0.346 38.163 38.487 0.035 0.000 1.012 230 N HN 0.287 nan 8.380 nan 0.000 0.423 231 A N 0.976 123.822 122.820 0.043 0.000 1.930 231 A HA -0.078 4.230 4.320 -0.020 0.000 0.217 231 A C 2.222 179.866 177.584 0.100 0.000 1.175 231 A CA 0.860 52.932 52.037 0.057 0.000 0.627 231 A CB -0.592 18.421 19.000 0.022 0.000 0.815 231 A HN 0.229 nan 8.150 nan 0.000 0.443 232 L N -0.052 121.217 121.223 0.076 0.000 2.027 232 L HA -0.083 4.245 4.340 -0.020 0.000 0.206 232 L C 2.424 179.420 176.870 0.210 0.000 1.074 232 L CA 2.389 57.314 54.840 0.141 0.000 0.745 232 L CB -0.693 41.410 42.059 0.074 0.000 0.898 232 L HN 0.474 nan 8.230 nan 0.000 0.433 233 R N -0.601 119.975 120.500 0.127 0.000 2.083 233 R HA -0.178 4.150 4.340 -0.020 0.000 0.237 233 R C 2.144 178.499 176.300 0.092 0.000 1.137 233 R CA 1.795 57.955 56.100 0.099 0.000 0.951 233 R CB -0.344 29.996 30.300 0.066 0.000 0.851 233 R HN 0.519 nan 8.270 nan 0.000 0.434 234 N N -0.052 118.708 118.700 0.100 0.000 2.166 234 N HA -0.191 4.536 4.740 -0.020 0.000 0.186 234 N C 1.665 177.241 175.510 0.110 0.000 1.019 234 N CA 1.438 54.538 53.050 0.084 0.000 0.856 234 N CB -0.224 38.312 38.487 0.081 0.000 0.993 234 N HN 0.235 nan 8.380 nan 0.000 0.426 235 F N 1.990 121.954 119.950 0.024 0.000 2.102 235 F HA -0.060 4.454 4.527 -0.021 0.000 0.298 235 F C 2.187 178.006 175.800 0.032 0.000 1.105 235 F CA 1.084 59.102 58.000 0.029 0.000 1.239 235 F CB -0.363 38.659 39.000 0.037 0.000 0.991 235 F HN -0.125 nan 8.300 nan 0.000 0.474 236 I N 0.904 121.392 120.570 -0.137 0.000 2.163 236 I HA -0.327 3.831 4.170 -0.020 0.000 0.243 236 I C 2.823 178.827 176.117 -0.189 0.000 1.085 236 I CA 1.298 62.451 61.300 -0.245 0.000 1.347 236 I CB -1.084 36.920 38.000 0.007 0.000 1.044 236 I HN 0.329 nan 8.210 nan 0.000 0.408 237 A N 0.817 123.584 122.820 -0.089 0.000 1.883 237 A HA -0.223 4.085 4.320 -0.020 0.000 0.217 237 A C 2.546 180.071 177.584 -0.099 0.000 1.186 237 A CA 2.148 54.141 52.037 -0.074 0.000 0.624 237 A CB -0.935 18.044 19.000 -0.036 0.000 0.822 237 A HN 0.456 nan 8.150 nan 0.000 0.444 238 A N -0.648 122.106 122.820 -0.110 0.000 1.902 238 A HA -0.123 4.184 4.320 -0.020 0.000 0.217 238 A C 1.921 179.420 177.584 -0.141 0.000 1.181 238 A CA 1.691 53.668 52.037 -0.099 0.000 0.623 238 A CB -0.388 18.576 19.000 -0.060 0.000 0.818 238 A HN 0.455 nan 8.150 nan 0.000 0.443 239 E N -0.013 120.025 120.200 -0.269 0.000 2.152 239 E HA -0.082 4.255 4.350 -0.020 0.000 0.192 239 E C 1.940 178.460 176.600 -0.133 0.000 0.983 239 E CA 0.695 56.944 56.400 -0.251 0.000 0.818 239 E CB -0.401 29.002 29.700 -0.494 0.000 0.758 239 E HN 0.730 nan 8.360 nan 0.000 0.467 240 I N 1.254 121.753 120.570 -0.120 0.000 2.179 240 I HA -0.277 3.881 4.170 -0.020 0.000 0.242 240 I C 2.197 178.286 176.117 -0.047 0.000 1.088 240 I CA 1.276 62.547 61.300 -0.048 0.000 1.357 240 I CB -0.217 37.752 38.000 -0.052 0.000 1.051 240 I HN 0.103 nan 8.210 nan 0.000 0.409 241 E N 0.406 120.568 120.200 -0.063 0.000 2.077 241 E HA -0.290 4.048 4.350 -0.020 0.000 0.193 241 E C 1.656 178.237 176.600 -0.031 0.000 0.989 241 E CA 1.722 58.092 56.400 -0.050 0.000 0.800 241 E CB -0.190 29.479 29.700 -0.050 0.000 0.746 241 E HN 0.474 nan 8.360 nan 0.000 0.452 242 D N 0.334 120.717 120.400 -0.029 0.000 2.144 242 D HA -0.097 4.531 4.640 -0.020 0.000 0.200 242 D C 1.905 178.216 176.300 0.018 0.000 0.978 242 D CA 1.247 55.243 54.000 -0.007 0.000 0.833 242 D CB 0.050 40.848 40.800 -0.003 0.000 0.961 242 D HN 0.153 nan 8.370 nan 0.000 0.470 243 A N 0.503 123.335 122.820 0.020 0.000 1.898 243 A HA -0.176 4.132 4.320 -0.020 0.000 0.216 243 A C 2.126 179.724 177.584 0.023 0.000 1.181 243 A CA 1.591 53.651 52.037 0.037 0.000 0.620 243 A CB -0.618 18.399 19.000 0.029 0.000 0.819 243 A HN 0.227 nan 8.150 nan 0.000 0.442 244 K N -0.013 120.391 120.400 0.008 0.000 2.057 244 K HA -0.178 4.130 4.320 -0.020 0.000 0.206 244 K C 2.178 178.776 176.600 -0.004 0.000 1.050 244 K CA 1.732 58.019 56.287 -0.001 0.000 0.935 244 K CB -0.194 32.295 32.500 -0.017 0.000 0.715 244 K HN 0.446 nan 8.250 nan 0.000 0.439 245 K N 0.601 120.998 120.400 -0.005 0.000 2.026 245 K HA -0.175 4.133 4.320 -0.020 0.000 0.208 245 K C 1.912 178.513 176.600 0.001 0.000 1.048 245 K CA 1.678 57.962 56.287 -0.006 0.000 0.929 245 K CB 0.050 32.545 32.500 -0.009 0.000 0.713 245 K HN 0.265 nan 8.250 nan 0.000 0.439 246 Q N -0.823 118.984 119.800 0.012 0.000 2.435 246 Q HA 0.037 4.365 4.340 -0.020 0.000 0.207 246 Q C 0.589 176.601 176.000 0.020 0.000 0.956 246 Q CA 0.632 56.447 55.803 0.020 0.000 0.917 246 Q CB 0.469 29.233 28.738 0.042 0.000 0.997 246 Q HN 0.643 nan 8.270 nan 0.000 0.497 247 G N 1.501 110.308 108.800 0.012 0.000 2.225 247 G HA2 -0.238 3.710 3.960 -0.020 0.000 0.264 247 G HA3 -0.238 3.710 3.960 -0.020 0.000 0.264 247 G C 0.120 175.019 174.900 -0.002 0.000 1.060 247 G CA 0.350 45.448 45.100 -0.003 0.000 0.833 247 G HN 0.315 nan 8.290 nan 0.000 0.498 248 V N -2.717 117.208 119.914 0.018 0.000 3.019 248 V HA 0.862 4.970 4.120 -0.020 0.000 0.317 248 V C 0.901 177.001 176.094 0.011 0.000 1.094 248 V CA -1.802 60.513 62.300 0.024 0.000 1.000 248 V CB 1.888 33.748 31.823 0.061 0.000 1.060 248 V HN 0.321 nan 8.190 nan 0.000 0.443 249 L N 2.131 123.361 121.223 0.012 0.000 2.380 249 L HA 0.352 4.680 4.340 -0.020 0.000 0.273 249 L C -0.176 176.700 176.870 0.011 0.000 1.138 249 L CA -0.313 54.535 54.840 0.013 0.000 0.832 249 L CB 1.082 43.162 42.059 0.035 0.000 1.124 249 L HN 0.593 nan 8.230 nan 0.000 0.454 250 L N 3.717 124.948 121.223 0.013 0.000 2.265 250 L HA 0.396 4.724 4.340 -0.020 0.000 0.288 250 L C 0.125 176.983 176.870 -0.020 0.000 1.058 250 L CA 0.428 55.269 54.840 0.002 0.000 0.809 250 L CB 1.110 43.185 42.059 0.026 0.000 1.179 250 L HN 0.722 nan 8.230 nan 0.000 0.429 251 S N 3.807 119.506 115.700 -0.001 0.000 2.599 251 S HA 0.904 5.362 4.470 -0.020 0.000 0.294 251 S C -0.947 173.635 174.600 -0.029 0.000 1.094 251 S CA -0.803 57.381 58.200 -0.027 0.000 0.931 251 S CB 1.968 65.202 63.200 0.057 0.000 1.093 251 S HN 0.396 nan 8.310 nan 0.000 0.488 252 V N 2.610 122.422 119.914 -0.170 0.000 2.577 252 V HA 0.467 4.575 4.120 -0.020 0.000 0.303 252 V C -1.110 174.836 176.094 -0.247 0.000 1.042 252 V CA -0.556 61.709 62.300 -0.058 0.000 0.872 252 V CB 1.632 33.462 31.823 0.011 0.000 0.998 252 V HN 0.994 nan 8.190 nan 0.000 0.423 253 H N 6.168 125.292 119.070 0.091 0.000 2.786 253 H HA 0.592 5.135 4.556 -0.023 0.000 0.284 253 H C -0.752 174.635 175.328 0.098 0.000 1.104 253 H CA -0.184 55.895 56.048 0.052 0.000 1.339 253 H CB 1.603 31.331 29.762 -0.056 0.000 1.427 253 H HN 0.419 nan 8.280 nan 0.000 0.497 254 L N 1.408 122.737 121.223 0.176 0.000 2.211 254 L HA 0.451 4.779 4.340 -0.020 0.000 0.259 254 L C 0.266 177.208 176.870 0.121 0.000 1.031 254 L CA -1.041 53.907 54.840 0.181 0.000 0.877 254 L CB 1.431 43.616 42.059 0.210 0.000 1.457 254 L HN 0.201 nan 8.230 nan 0.000 0.466 255 K N -0.107 120.360 120.400 0.111 0.000 3.022 255 K HA 0.427 4.735 4.320 -0.020 0.000 0.178 255 K C 0.308 176.911 176.600 0.005 0.000 1.089 255 K CA 0.116 56.441 56.287 0.064 0.000 0.916 255 K CB 0.719 33.278 32.500 0.098 0.000 1.159 255 K HN 0.598 nan 8.250 nan 0.000 0.592 256 A N 0.129 122.932 122.820 -0.029 0.000 1.908 256 A HA -0.141 4.167 4.320 -0.020 0.000 0.218 256 A C 1.832 179.358 177.584 -0.096 0.000 1.181 256 A CA 2.254 54.245 52.037 -0.076 0.000 0.627 256 A CB -0.649 18.246 19.000 -0.175 0.000 0.818 256 A HN 0.556 nan 8.150 nan 0.000 0.445 257 T N -0.608 113.890 114.554 -0.094 0.000 2.737 257 T HA -0.124 4.213 4.350 -0.020 0.000 0.265 257 T C 1.984 176.602 174.700 -0.136 0.000 1.038 257 T CA 1.584 63.622 62.100 -0.103 0.000 1.144 257 T CB -0.215 68.607 68.868 -0.076 0.000 0.866 257 T HN 0.396 nan 8.240 nan 0.000 0.434 258 M N 0.474 119.994 119.600 -0.134 0.000 2.160 258 M HA 0.144 4.612 4.480 -0.020 0.000 0.264 258 M C 0.514 176.626 176.300 -0.314 0.000 1.073 258 M CA 1.297 56.472 55.300 -0.208 0.000 1.142 258 M CB -0.337 32.158 32.600 -0.175 0.000 1.358 258 M HN 0.108 nan 8.290 nan 0.000 0.422 259 M N 2.651 122.152 119.600 -0.165 0.000 3.706 259 M HA 0.057 4.525 4.480 -0.020 0.000 0.204 259 M C 1.199 177.445 176.300 -0.090 0.000 1.455 259 M CA 0.224 55.487 55.300 -0.062 0.000 1.659 259 M CB -1.181 31.419 32.600 -0.000 0.000 1.076 259 M HN 0.257 nan 8.290 nan 0.000 0.577 260 K N -0.996 119.264 120.400 -0.234 0.000 2.362 260 K HA -0.099 4.209 4.320 -0.020 0.000 0.202 260 K C 1.032 177.595 176.600 -0.062 0.000 1.045 260 K CA 1.268 57.459 56.287 -0.159 0.000 0.936 260 K CB -0.187 32.179 32.500 -0.224 0.000 0.747 260 K HN 0.298 nan 8.250 nan 0.000 0.467 261 V N 1.136 121.043 119.914 -0.012 0.000 2.599 261 V HA -0.154 3.953 4.120 -0.020 0.000 0.237 261 V C 2.593 178.725 176.094 0.064 0.000 1.081 261 V CA 1.311 63.625 62.300 0.023 0.000 1.107 261 V CB 0.276 32.106 31.823 0.012 0.000 0.808 261 V HN 0.561 nan 8.190 nan 0.000 0.486 262 S N 0.751 116.502 115.700 0.085 0.000 2.356 262 S HA -0.239 4.218 4.470 -0.020 0.000 0.223 262 S C 1.570 176.271 174.600 0.169 0.000 1.032 262 S CA 1.936 60.228 58.200 0.154 0.000 1.005 262 S CB -0.638 62.661 63.200 0.164 0.000 0.867 262 S HN 0.540 nan 8.310 nan 0.000 0.449 263 D N 2.957 123.436 120.400 0.131 0.000 2.144 263 D HA 0.082 4.710 4.640 -0.020 0.000 0.200 263 D C -0.665 175.730 176.300 0.157 0.000 0.978 263 D CA 0.879 54.969 54.000 0.150 0.000 0.833 263 D CB -1.465 39.399 40.800 0.108 0.000 0.961 263 D HN 0.387 nan 8.370 nan 0.000 0.470 264 P HA -0.025 nan 4.420 nan 0.000 0.219 264 P C 1.388 178.789 177.300 0.169 0.000 1.150 264 P CA 0.765 63.925 63.100 0.101 0.000 0.814 264 P CB 0.137 31.853 31.700 0.026 0.000 0.787 265 I N -1.830 118.825 120.570 0.141 0.000 2.202 265 I HA -0.224 3.934 4.170 -0.020 0.000 0.242 265 I C 2.305 178.517 176.117 0.158 0.000 1.091 265 I CA 1.564 62.945 61.300 0.135 0.000 1.368 265 I CB -0.522 37.553 38.000 0.125 0.000 1.058 265 I HN -0.076 nan 8.210 nan 0.000 0.410 266 M N -0.444 119.268 119.600 0.185 0.000 2.159 266 M HA -0.216 4.251 4.480 -0.020 0.000 0.263 266 M C 2.355 178.777 176.300 0.203 0.000 1.063 266 M CA 1.920 57.329 55.300 0.183 0.000 1.110 266 M CB -0.424 32.298 32.600 0.203 0.000 1.374 266 M HN 0.163 nan 8.290 nan 0.000 0.411 267 F N 0.924 120.930 119.950 0.093 0.000 2.102 267 F HA -0.099 4.417 4.527 -0.019 0.000 0.298 267 F C 2.269 178.121 175.800 0.087 0.000 1.105 267 F CA 1.870 59.921 58.000 0.085 0.000 1.239 267 F CB -0.748 38.292 39.000 0.065 0.000 0.991 267 F HN 0.088 nan 8.300 nan 0.000 0.474 268 G N -0.765 108.181 108.800 0.243 0.000 2.418 268 G HA2 -0.262 3.686 3.960 -0.020 0.000 0.217 268 G HA3 -0.262 3.686 3.960 -0.020 0.000 0.217 268 G C 1.494 176.438 174.900 0.073 0.000 1.158 268 G CA 0.766 45.945 45.100 0.131 0.000 0.771 268 G HN 0.438 nan 8.290 nan 0.000 0.545 269 Q N -0.370 119.479 119.800 0.081 0.000 2.170 269 Q HA 0.017 4.345 4.340 -0.020 0.000 0.203 269 Q C 2.580 178.618 176.000 0.063 0.000 0.976 269 Q CA 0.791 56.639 55.803 0.076 0.000 0.858 269 Q CB -0.139 28.651 28.738 0.086 0.000 0.907 269 Q HN 0.556 nan 8.270 nan 0.000 0.433 270 I N -0.365 120.216 120.570 0.019 0.000 2.286 270 I HA -0.223 3.935 4.170 -0.020 0.000 0.245 270 I C 2.155 178.278 176.117 0.010 0.000 1.104 270 I CA 0.685 61.977 61.300 -0.014 0.000 1.397 270 I CB -0.178 37.749 38.000 -0.120 0.000 1.072 270 I HN 0.014 nan 8.210 nan 0.000 0.417 271 V N 0.220 120.113 119.914 -0.035 0.000 2.343 271 V HA -0.267 3.841 4.120 -0.020 0.000 0.247 271 V C 2.550 178.826 176.094 0.304 0.000 1.051 271 V CA 2.106 64.502 62.300 0.160 0.000 1.036 271 V CB -0.551 31.340 31.823 0.113 0.000 0.654 271 V HN 0.369 nan 8.190 nan 0.000 0.451 272 S N -0.430 115.382 115.700 0.187 0.000 2.356 272 S HA -0.250 4.208 4.470 -0.020 0.000 0.223 272 S C 2.040 176.732 174.600 0.153 0.000 1.032 272 S CA 1.864 60.171 58.200 0.178 0.000 1.005 272 S CB -0.259 63.011 63.200 0.116 0.000 0.867 272 S HN 0.688 nan 8.310 nan 0.000 0.449 273 E N 0.766 121.037 120.200 0.118 0.000 2.072 273 E HA -0.041 4.296 4.350 -0.020 0.000 0.190 273 E C 1.668 178.294 176.600 0.043 0.000 0.982 273 E CA 0.852 57.293 56.400 0.068 0.000 0.803 273 E CB -0.407 29.323 29.700 0.050 0.000 0.755 273 E HN 0.462 nan 8.360 nan 0.000 0.453 274 F N -0.349 119.556 119.950 -0.075 0.000 2.102 274 F HA -0.163 4.353 4.527 -0.018 0.000 0.298 274 F C 1.108 176.725 175.800 -0.304 0.000 1.105 274 F CA 1.503 59.365 58.000 -0.230 0.000 1.239 274 F CB -0.094 38.687 39.000 -0.364 0.000 0.991 274 F HN 0.076 nan 8.300 nan 0.000 0.474 275 Y N 1.002 121.389 120.300 0.146 0.000 2.532 275 Y HA 0.128 4.666 4.550 -0.021 0.000 0.283 275 Y C 1.907 177.789 175.900 -0.030 0.000 1.181 275 Y CA -0.177 57.934 58.100 0.019 0.000 1.256 275 Y CB -0.761 37.742 38.460 0.072 0.000 1.112 275 Y HN 0.099 nan 8.280 nan 0.000 0.521 276 K N -0.401 120.039 120.400 0.066 0.000 2.127 276 K HA -0.253 4.055 4.320 -0.020 0.000 0.208 276 K C 0.765 177.366 176.600 0.003 0.000 1.047 276 K CA 2.280 58.590 56.287 0.038 0.000 0.927 276 K CB -0.205 32.297 32.500 0.004 0.000 0.716 276 K HN 0.150 nan 8.250 nan 0.000 0.450 277 D N 1.302 121.681 120.400 -0.036 0.000 2.117 277 D HA -0.124 4.504 4.640 -0.020 0.000 0.197 277 D C 2.064 178.339 176.300 -0.042 0.000 0.987 277 D CA 1.834 55.804 54.000 -0.051 0.000 0.829 277 D CB -0.276 40.480 40.800 -0.074 0.000 0.961 277 D HN 0.470 nan 8.370 nan 0.000 0.460 278 A N 0.470 123.288 122.820 -0.003 0.000 1.898 278 A HA -0.024 4.284 4.320 -0.020 0.000 0.214 278 A C 2.387 179.998 177.584 0.045 0.000 1.183 278 A CA 0.597 52.654 52.037 0.033 0.000 0.622 278 A CB -0.679 18.352 19.000 0.053 0.000 0.824 278 A HN 0.173 nan 8.150 nan 0.000 0.444 279 L N -0.626 120.625 121.223 0.047 0.000 2.083 279 L HA -0.148 4.180 4.340 -0.020 0.000 0.209 279 L C 2.696 179.594 176.870 0.045 0.000 1.083 279 L CA 1.680 56.555 54.840 0.059 0.000 0.752 279 L CB -0.899 41.236 42.059 0.125 0.000 0.899 279 L HN 0.329 nan 8.230 nan 0.000 0.433 280 T N -0.599 113.962 114.554 0.012 0.000 2.770 280 T HA -0.189 4.149 4.350 -0.020 0.000 0.263 280 T C 1.941 176.602 174.700 -0.064 0.000 1.039 280 T CA 1.243 63.336 62.100 -0.012 0.000 1.142 280 T CB -0.033 68.824 68.868 -0.019 0.000 0.868 280 T HN 0.235 nan 8.240 nan 0.000 0.435 281 K N 0.468 120.782 120.400 -0.144 0.000 2.063 281 K HA -0.161 4.146 4.320 -0.020 0.000 0.208 281 K C 1.241 177.627 176.600 -0.357 0.000 1.048 281 K CA 1.381 57.491 56.287 -0.295 0.000 0.928 281 K CB -0.076 32.146 32.500 -0.463 0.000 0.713 281 K HN 0.422 nan 8.250 nan 0.000 0.442 282 H N -0.430 118.616 119.070 -0.040 0.000 2.524 282 H HA 0.226 4.769 4.556 -0.020 0.000 0.299 282 H C 1.273 176.583 175.328 -0.030 0.000 1.074 282 H CA 0.386 56.405 56.048 -0.048 0.000 1.115 282 H CB 0.492 30.201 29.762 -0.089 0.000 1.522 282 H HN 0.317 nan 8.280 nan 0.000 0.543 283 A N 1.221 124.073 122.820 0.053 0.000 1.859 283 A HA -0.235 4.072 4.320 -0.020 0.000 0.217 283 A C 2.284 179.906 177.584 0.063 0.000 1.198 283 A CA 1.686 53.760 52.037 0.061 0.000 0.629 283 A CB -0.253 18.769 19.000 0.037 0.000 0.830 283 A HN 0.419 nan 8.150 nan 0.000 0.446 284 E N -1.001 119.226 120.200 0.046 0.000 2.038 284 E HA -0.166 4.172 4.350 -0.020 0.000 0.195 284 E C 2.025 178.652 176.600 0.044 0.000 1.000 284 E CA 1.426 57.851 56.400 0.041 0.000 0.803 284 E CB -0.374 29.343 29.700 0.029 0.000 0.750 284 E HN 0.404 nan 8.360 nan 0.000 0.448 285 V N 0.854 120.797 119.914 0.049 0.000 2.515 285 V HA -0.190 3.918 4.120 -0.020 0.000 0.250 285 V C 1.986 178.094 176.094 0.024 0.000 1.058 285 V CA 1.165 63.483 62.300 0.030 0.000 1.064 285 V CB -0.097 31.736 31.823 0.018 0.000 0.675 285 V HN 0.156 nan 8.190 nan 0.000 0.461 286 L N 0.268 121.516 121.223 0.041 0.000 2.141 286 L HA -0.089 4.239 4.340 -0.020 0.000 0.209 286 L C 2.393 179.339 176.870 0.128 0.000 1.094 286 L CA 2.131 57.009 54.840 0.064 0.000 0.763 286 L CB -0.999 41.111 42.059 0.086 0.000 0.908 286 L HN 0.349 nan 8.230 nan 0.000 0.437 287 K N -0.760 119.700 120.400 0.100 0.000 2.103 287 K HA -0.178 4.130 4.320 -0.020 0.000 0.204 287 K C 2.076 178.713 176.600 0.061 0.000 1.052 287 K CA 1.132 57.468 56.287 0.083 0.000 0.945 287 K CB 0.054 32.590 32.500 0.061 0.000 0.722 287 K HN 0.336 nan 8.250 nan 0.000 0.443 288 Q N 0.566 120.394 119.800 0.047 0.000 2.096 288 Q HA -0.143 4.185 4.340 -0.020 0.000 0.204 288 Q C 1.959 177.979 176.000 0.034 0.000 0.982 288 Q CA 1.904 57.727 55.803 0.033 0.000 0.850 288 Q CB -0.211 28.541 28.738 0.023 0.000 0.901 288 Q HN 0.563 nan 8.270 nan 0.000 0.422 289 I N -3.685 116.909 120.570 0.040 0.000 3.735 289 I HA 0.299 4.457 4.170 -0.020 0.000 0.310 289 I C 0.812 176.970 176.117 0.068 0.000 1.270 289 I CA 0.534 61.858 61.300 0.041 0.000 1.207 289 I CB -0.406 37.607 38.000 0.020 0.000 1.013 289 I HN 0.201 nan 8.210 nan 0.000 0.452 290 G N 2.170 111.018 108.800 0.079 0.000 2.221 290 G HA2 -0.348 3.599 3.960 -0.020 0.000 0.265 290 G HA3 -0.348 3.599 3.960 -0.020 0.000 0.265 290 G C 0.127 175.098 174.900 0.119 0.000 1.041 290 G CA 0.193 45.340 45.100 0.078 0.000 0.807 290 G HN 0.669 nan 8.290 nan 0.000 0.502 291 F N 0.994 120.939 119.950 -0.008 0.000 2.608 291 F HA 0.364 4.878 4.527 -0.021 0.000 0.380 291 F C 0.486 176.288 175.800 0.003 0.000 1.083 291 F CA 0.160 58.151 58.000 -0.014 0.000 1.266 291 F CB 0.656 39.636 39.000 -0.034 0.000 1.076 291 F HN 0.130 nan 8.300 nan 0.000 0.574 292 D N 6.558 126.639 120.400 -0.532 0.000 2.462 292 D HA 0.077 4.704 4.640 -0.020 0.000 0.249 292 D C 0.616 176.415 176.300 -0.835 0.000 1.117 292 D CA -0.359 53.314 54.000 -0.545 0.000 0.900 292 D CB 1.323 42.009 40.800 -0.191 0.000 1.039 292 D HN 0.435 nan 8.370 nan 0.000 0.516 293 V N 4.296 123.535 119.914 -1.125 0.000 2.453 293 V HA -0.245 3.863 4.120 -0.020 0.000 0.252 293 V C 1.320 177.329 176.094 -0.142 0.000 1.068 293 V CA 1.784 63.682 62.300 -0.670 0.000 1.070 293 V CB -0.435 31.198 31.823 -0.317 0.000 0.664 293 V HN 0.505 nan 8.190 nan 0.000 0.461 294 N N 0.906 119.544 118.700 -0.104 0.000 2.520 294 N HA -0.096 4.632 4.740 -0.020 0.000 0.185 294 N C 1.340 176.895 175.510 0.074 0.000 1.068 294 N CA 1.167 54.247 53.050 0.051 0.000 0.911 294 N CB -0.584 37.915 38.487 0.020 0.000 0.961 294 N HN 0.602 nan 8.380 nan 0.000 0.446 295 N N 0.315 119.025 118.700 0.016 0.000 2.251 295 N HA 0.175 4.903 4.740 -0.020 0.000 0.217 295 N C 0.007 175.595 175.510 0.130 0.000 1.124 295 N CA 0.270 53.340 53.050 0.033 0.000 0.843 295 N CB 0.161 38.655 38.487 0.012 0.000 1.024 295 N HN 0.197 nan 8.380 nan 0.000 0.501 296 G N 0.397 109.363 108.800 0.278 0.000 2.781 296 G HA2 -0.266 3.681 3.960 -0.020 0.000 0.683 296 G HA3 -0.266 3.681 3.960 -0.020 0.000 0.683 296 G C 0.439 175.514 174.900 0.291 0.000 1.390 296 G CA -0.212 45.137 45.100 0.415 0.000 0.850 296 G HN 0.213 nan 8.290 nan 0.000 0.557 297 I N 1.717 122.373 120.570 0.144 0.000 2.756 297 I HA 0.145 4.303 4.170 -0.020 0.000 0.262 297 I C 2.571 178.682 176.117 -0.009 0.000 1.225 297 I CA 2.461 63.708 61.300 -0.089 0.000 1.472 297 I CB -0.471 37.215 38.000 -0.523 0.000 1.094 297 I HN 0.912 nan 8.210 nan 0.000 0.454 298 G N -0.455 108.395 108.800 0.084 0.000 2.448 298 G HA2 -0.314 3.634 3.960 -0.020 0.000 0.219 298 G HA3 -0.314 3.634 3.960 -0.020 0.000 0.219 298 G C 1.396 176.429 174.900 0.222 0.000 1.127 298 G CA 0.959 46.198 45.100 0.231 0.000 0.766 298 G HN 0.440 nan 8.290 nan 0.000 0.552 299 D N -0.253 120.283 120.400 0.227 0.000 2.178 299 D HA -0.050 4.578 4.640 -0.020 0.000 0.202 299 D C 2.340 178.774 176.300 0.224 0.000 0.974 299 D CA 0.504 54.652 54.000 0.247 0.000 0.841 299 D CB -0.089 40.881 40.800 0.285 0.000 0.953 299 D HN 0.282 nan 8.370 nan 0.000 0.478 300 L N -0.770 120.491 121.223 0.063 0.000 2.027 300 L HA -0.172 4.156 4.340 -0.020 0.000 0.206 300 L C 1.779 178.467 176.870 -0.305 0.000 1.074 300 L CA 1.231 55.812 54.840 -0.431 0.000 0.745 300 L CB -0.367 41.060 42.059 -1.053 0.000 0.898 300 L HN 0.139 nan 8.230 nan 0.000 0.433 301 Y N -0.145 120.080 120.300 -0.124 0.000 2.274 301 Y HA -0.210 4.328 4.550 -0.021 0.000 0.290 301 Y C 2.574 178.458 175.900 -0.026 0.000 1.145 301 Y CA 1.153 59.212 58.100 -0.067 0.000 1.203 301 Y CB -0.490 37.963 38.460 -0.011 0.000 0.984 301 Y HN 0.348 nan 8.280 nan 0.000 0.533 302 A N 0.230 123.136 122.820 0.143 0.000 1.897 302 A HA -0.121 4.187 4.320 -0.020 0.000 0.215 302 A C 2.131 179.748 177.584 0.055 0.000 1.181 302 A CA 1.257 53.352 52.037 0.097 0.000 0.620 302 A CB -0.359 18.700 19.000 0.098 0.000 0.821 302 A HN 0.372 nan 8.150 nan 0.000 0.443 303 R N -0.099 120.424 120.500 0.039 0.000 2.200 303 R HA 0.092 4.420 4.340 -0.020 0.000 0.208 303 R C 1.853 178.140 176.300 -0.021 0.000 1.033 303 R CA 1.104 57.217 56.100 0.021 0.000 1.000 303 R CB -0.410 29.923 30.300 0.055 0.000 0.906 303 R HN 0.808 nan 8.270 nan 0.000 0.462 304 I N -1.666 118.866 120.570 -0.063 0.000 3.111 304 I HA -0.029 4.128 4.170 -0.020 0.000 0.272 304 I C 1.061 177.152 176.117 -0.044 0.000 1.268 304 I CA 0.904 62.150 61.300 -0.090 0.000 1.467 304 I CB -0.125 37.774 38.000 -0.168 0.000 1.087 304 I HN -0.126 nan 8.210 nan 0.000 0.467 305 K N 1.486 121.880 120.400 -0.011 0.000 2.519 305 K HA -0.067 4.240 4.320 -0.020 0.000 0.196 305 K C 1.713 178.311 176.600 -0.002 0.000 1.041 305 K CA 1.637 57.926 56.287 0.003 0.000 0.954 305 K CB -0.236 32.276 32.500 0.021 0.000 0.774 305 K HN 0.641 nan 8.250 nan 0.000 0.480 306 T N -2.140 112.409 114.554 -0.008 0.000 3.060 306 T HA 0.196 4.534 4.350 -0.020 0.000 0.249 306 T C 0.725 175.418 174.700 -0.012 0.000 1.079 306 T CA -0.250 61.846 62.100 -0.006 0.000 1.013 306 T CB 0.046 68.914 68.868 -0.001 0.000 0.975 306 T HN -0.083 nan 8.240 nan 0.000 0.518 307 L N 1.267 122.476 121.223 -0.024 0.000 2.416 307 L HA 0.494 4.821 4.340 -0.020 0.000 0.262 307 L C -2.282 174.573 176.870 -0.024 0.000 1.093 307 L CA -2.859 51.963 54.840 -0.029 0.000 0.801 307 L CB 0.318 42.346 42.059 -0.052 0.000 1.191 307 L HN -0.117 nan 8.230 nan 0.000 0.459 308 P HA -0.050 nan 4.420 nan 0.000 0.267 308 P C 0.288 177.576 177.300 -0.020 0.000 1.200 308 P CA 0.085 63.175 63.100 -0.016 0.000 0.772 308 P CB 0.512 32.204 31.700 -0.013 0.000 0.855 309 E N 2.468 122.660 120.200 -0.013 0.000 2.209 309 E HA -0.264 4.073 4.350 -0.020 0.000 0.196 309 E C 1.669 178.260 176.600 -0.015 0.000 0.993 309 E CA 1.342 57.736 56.400 -0.011 0.000 0.819 309 E CB -0.229 29.469 29.700 -0.004 0.000 0.745 309 E HN 0.512 nan 8.360 nan 0.000 0.477 310 A N 1.019 123.830 122.820 -0.014 0.000 1.930 310 A HA -0.159 4.149 4.320 -0.020 0.000 0.217 310 A C 2.109 179.678 177.584 -0.025 0.000 1.175 310 A CA 1.131 53.161 52.037 -0.012 0.000 0.627 310 A CB -0.240 18.756 19.000 -0.006 0.000 0.815 310 A HN 0.007 nan 8.150 nan 0.000 0.443 311 K N -0.182 120.195 120.400 -0.038 0.000 2.062 311 K HA -0.087 4.220 4.320 -0.020 0.000 0.205 311 K C 2.225 178.756 176.600 -0.115 0.000 1.051 311 K CA 1.540 57.783 56.287 -0.072 0.000 0.941 311 K CB -0.441 32.015 32.500 -0.072 0.000 0.719 311 K HN 0.687 nan 8.250 nan 0.000 0.440 312 Q N 0.480 120.228 119.800 -0.087 0.000 2.061 312 Q HA -0.200 4.128 4.340 -0.020 0.000 0.204 312 Q C 2.184 178.143 176.000 -0.069 0.000 0.984 312 Q CA 1.795 57.546 55.803 -0.088 0.000 0.846 312 Q CB -0.171 28.543 28.738 -0.040 0.000 0.902 312 Q HN 0.232 nan 8.270 nan 0.000 0.421 313 K N 1.064 121.442 120.400 -0.037 0.000 2.020 313 K HA -0.275 4.033 4.320 -0.020 0.000 0.212 313 K C 2.060 178.647 176.600 -0.021 0.000 1.050 313 K CA 1.823 58.102 56.287 -0.013 0.000 0.929 313 K CB -0.089 32.409 32.500 -0.003 0.000 0.714 313 K HN 0.213 nan 8.250 nan 0.000 0.443 314 E N 0.589 120.766 120.200 -0.038 0.000 2.038 314 E HA -0.217 4.121 4.350 -0.020 0.000 0.195 314 E C 2.088 178.651 176.600 -0.061 0.000 1.000 314 E CA 1.620 58.009 56.400 -0.019 0.000 0.803 314 E CB -0.158 29.547 29.700 0.008 0.000 0.750 314 E HN 0.403 nan 8.360 nan 0.000 0.448 315 I N 1.082 121.505 120.570 -0.245 0.000 2.127 315 I HA -0.285 3.873 4.170 -0.020 0.000 0.241 315 I C 2.424 178.438 176.117 -0.171 0.000 1.075 315 I CA 1.623 62.688 61.300 -0.390 0.000 1.334 315 I CB -0.372 37.292 38.000 -0.558 0.000 1.040 315 I HN 0.220 nan 8.210 nan 0.000 0.405 316 E N 0.784 120.923 120.200 -0.103 0.000 2.160 316 E HA -0.226 4.112 4.350 -0.020 0.000 0.195 316 E C 2.278 178.916 176.600 0.063 0.000 0.991 316 E CA 1.260 57.674 56.400 0.023 0.000 0.810 316 E CB -0.174 29.588 29.700 0.104 0.000 0.742 316 E HN 0.546 nan 8.360 nan 0.000 0.466 317 A N 1.687 124.531 122.820 0.039 0.000 1.898 317 A HA -0.189 4.119 4.320 -0.020 0.000 0.216 317 A C 1.715 179.332 177.584 0.054 0.000 1.181 317 A CA 1.489 53.559 52.037 0.055 0.000 0.620 317 A CB -0.231 18.795 19.000 0.043 0.000 0.819 317 A HN 0.070 nan 8.150 nan 0.000 0.442 318 D N 0.097 120.529 120.400 0.054 0.000 2.218 318 D HA -0.107 4.521 4.640 -0.020 0.000 0.204 318 D C 1.805 178.115 176.300 0.017 0.000 0.976 318 D CA 0.774 54.807 54.000 0.056 0.000 0.853 318 D CB -0.188 40.695 40.800 0.139 0.000 0.939 318 D HN 0.330 nan 8.370 nan 0.000 0.481 319 I N 1.058 121.628 120.570 0.001 0.000 2.252 319 I HA -0.169 3.989 4.170 -0.020 0.000 0.245 319 I C 2.239 178.303 176.117 -0.088 0.000 1.102 319 I CA 0.962 62.233 61.300 -0.048 0.000 1.385 319 I CB -0.865 37.116 38.000 -0.032 0.000 1.064 319 I HN 0.022 nan 8.210 nan 0.000 0.414 320 Q N 0.572 120.422 119.800 0.083 0.000 2.167 320 Q HA -0.041 4.287 4.340 -0.020 0.000 0.202 320 Q C 2.371 178.446 176.000 0.125 0.000 0.970 320 Q CA 1.502 57.429 55.803 0.207 0.000 0.855 320 Q CB -0.361 28.499 28.738 0.202 0.000 0.911 320 Q HN 0.522 nan 8.270 nan 0.000 0.438 321 A N 0.242 123.091 122.820 0.048 0.000 1.969 321 A HA -0.088 4.219 4.320 -0.020 0.000 0.218 321 A C 2.423 179.994 177.584 -0.022 0.000 1.169 321 A CA 1.139 53.188 52.037 0.020 0.000 0.635 321 A CB -0.472 18.531 19.000 0.004 0.000 0.810 321 A HN 0.192 nan 8.150 nan 0.000 0.445 322 V N -1.252 118.612 119.914 -0.084 0.000 2.295 322 V HA -0.309 3.798 4.120 -0.020 0.000 0.246 322 V C 2.311 178.311 176.094 -0.157 0.000 1.049 322 V CA 1.986 64.171 62.300 -0.191 0.000 1.024 322 V CB -1.141 30.519 31.823 -0.272 0.000 0.648 322 V HN 0.718 nan 8.190 nan 0.000 0.447 323 Y N 0.249 120.568 120.300 0.031 0.000 2.256 323 Y HA -0.239 4.298 4.550 -0.020 0.000 0.288 323 Y C 2.479 178.388 175.900 0.015 0.000 1.155 323 Y CA 0.813 58.955 58.100 0.069 0.000 1.203 323 Y CB -0.330 38.222 38.460 0.153 0.000 0.980 323 Y HN 0.269 nan 8.280 nan 0.000 0.530 324 A N -0.732 122.178 122.820 0.150 0.000 2.119 324 A HA -0.176 4.132 4.320 -0.020 0.000 0.217 324 A C 1.932 179.525 177.584 0.015 0.000 1.153 324 A CA 1.397 53.479 52.037 0.075 0.000 0.692 324 A CB -0.289 18.746 19.000 0.058 0.000 0.799 324 A HN 0.402 nan 8.150 nan 0.000 0.458 325 Q N -1.158 118.624 119.800 -0.030 0.000 2.378 325 Q HA 0.229 4.556 4.340 -0.020 0.000 0.216 325 Q C 0.645 176.577 176.000 -0.114 0.000 0.892 325 Q CA 0.339 56.096 55.803 -0.076 0.000 0.931 325 Q CB 0.274 28.947 28.738 -0.108 0.000 1.086 325 Q HN 0.464 nan 8.270 nan 0.000 0.528 326 R N 0.581 120.999 120.500 -0.137 0.000 2.691 326 R HA 0.462 4.790 4.340 -0.020 0.000 0.259 326 R C -2.379 173.921 176.300 0.000 0.000 1.048 326 R CA -2.267 53.727 56.100 -0.177 0.000 1.086 326 R CB 0.478 30.452 30.300 -0.545 0.000 1.166 326 R HN 0.049 nan 8.270 nan 0.000 0.526 327 P HA 0.051 nan 4.420 nan 0.000 0.274 327 P C -1.047 176.341 177.300 0.147 0.000 1.246 327 P CA -0.269 62.877 63.100 0.077 0.000 0.795 327 P CB 0.593 32.335 31.700 0.070 0.000 1.006 328 Q N 0.410 120.253 119.800 0.072 0.000 2.352 328 Q HA 0.287 4.615 4.340 -0.020 0.000 0.260 328 Q C -0.096 175.933 176.000 0.048 0.000 0.976 328 Q CA -0.276 55.558 55.803 0.051 0.000 0.881 328 Q CB 0.401 29.122 28.738 -0.028 0.000 1.235 328 Q HN 0.399 nan 8.270 nan 0.000 0.419 329 L N 1.318 122.551 121.223 0.017 0.000 2.379 329 L HA 0.489 4.817 4.340 -0.020 0.000 0.269 329 L C 0.165 177.031 176.870 -0.007 0.000 1.084 329 L CA -0.803 54.018 54.840 -0.032 0.000 0.802 329 L CB 1.174 43.168 42.059 -0.109 0.000 1.175 329 L HN 0.671 nan 8.230 nan 0.000 0.448 330 A N 3.874 126.695 122.820 0.003 0.000 2.445 330 A HA 0.509 4.816 4.320 -0.020 0.000 0.242 330 A C -0.187 177.428 177.584 0.052 0.000 1.075 330 A CA -0.113 51.951 52.037 0.045 0.000 0.777 330 A CB 0.261 19.279 19.000 0.031 0.000 1.013 330 A HN 0.582 nan 8.150 nan 0.000 0.493 331 M N 2.545 122.210 119.600 0.109 0.000 2.436 331 M HA 0.248 4.716 4.480 -0.020 0.000 0.331 331 M C 0.714 177.075 176.300 0.102 0.000 1.135 331 M CA -0.443 54.902 55.300 0.075 0.000 0.987 331 M CB 1.290 33.920 32.600 0.051 0.000 1.687 331 M HN 0.395 nan 8.290 nan 0.000 0.445 332 V N 1.555 121.488 119.914 0.032 0.000 2.535 332 V HA 0.011 4.119 4.120 -0.020 0.000 0.246 332 V C 0.711 176.788 176.094 -0.029 0.000 1.045 332 V CA 1.219 63.537 62.300 0.030 0.000 1.058 332 V CB -0.264 31.564 31.823 0.008 0.000 0.689 332 V HN 0.898 nan 8.190 nan 0.000 0.461 333 N N -0.528 118.118 118.700 -0.089 0.000 2.701 333 N HA 0.062 4.789 4.740 -0.020 0.000 0.258 333 N C 0.895 176.311 175.510 -0.158 0.000 1.262 333 N CA 0.698 53.662 53.050 -0.144 0.000 0.780 333 N CB 1.762 40.169 38.487 -0.134 0.000 1.380 333 N HN 0.180 nan 8.380 nan 0.000 0.548 334 S N 1.607 117.207 115.700 -0.167 0.000 2.382 334 S HA -0.130 4.328 4.470 -0.020 0.000 0.228 334 S C 1.032 175.551 174.600 -0.135 0.000 1.027 334 S CA 1.112 59.232 58.200 -0.134 0.000 0.991 334 S CB -0.005 63.126 63.200 -0.115 0.000 0.823 334 S HN 0.449 nan 8.310 nan 0.000 0.469 335 D N 1.961 122.270 120.400 -0.152 0.000 2.178 335 D HA -0.041 4.586 4.640 -0.020 0.000 0.201 335 D C 1.615 177.847 176.300 -0.115 0.000 0.980 335 D CA 1.127 55.053 54.000 -0.124 0.000 0.842 335 D CB -0.164 40.560 40.800 -0.126 0.000 0.948 335 D HN 0.571 nan 8.370 nan 0.000 0.472 336 K N -0.456 119.864 120.400 -0.133 0.000 2.374 336 K HA 0.213 4.520 4.320 -0.020 0.000 0.196 336 K C 0.958 177.453 176.600 -0.175 0.000 1.023 336 K CA 0.304 56.508 56.287 -0.138 0.000 1.103 336 K CB 0.980 33.399 32.500 -0.136 0.000 0.848 336 K HN 0.066 nan 8.250 nan 0.000 0.528 337 G N 2.200 110.894 108.800 -0.176 0.000 2.198 337 G HA2 -0.219 3.729 3.960 -0.020 0.000 0.260 337 G HA3 -0.219 3.729 3.960 -0.020 0.000 0.260 337 G C 0.005 174.694 174.900 -0.352 0.000 1.025 337 G CA -0.215 44.766 45.100 -0.199 0.000 0.769 337 G HN 0.175 nan 8.290 nan 0.000 0.507 338 I N 2.471 122.806 120.570 -0.392 0.000 2.322 338 I HA 0.269 4.427 4.170 -0.020 0.000 0.292 338 I C 1.443 177.353 176.117 -0.344 0.000 1.060 338 I CA 0.172 61.095 61.300 -0.629 0.000 1.309 338 I CB -0.243 37.540 38.000 -0.361 0.000 1.415 338 I HN 0.343 nan 8.210 nan 0.000 0.492 339 T N 1.778 116.187 114.554 -0.241 0.000 2.824 339 T HA 0.161 4.499 4.350 -0.020 0.000 0.277 339 T C 1.124 175.923 174.700 0.166 0.000 0.975 339 T CA -0.503 61.651 62.100 0.090 0.000 0.966 339 T CB 1.063 70.082 68.868 0.250 0.000 1.054 339 T HN 0.599 nan 8.240 nan 0.000 0.533 340 N N -0.533 118.232 118.700 0.110 0.000 2.364 340 N HA 0.009 4.737 4.740 -0.020 0.000 0.183 340 N C 1.370 177.026 175.510 0.244 0.000 1.022 340 N CA 0.394 53.510 53.050 0.111 0.000 0.883 340 N CB -0.270 38.221 38.487 0.006 0.000 0.965 340 N HN 0.565 nan 8.380 nan 0.000 0.438 341 L N -0.894 120.470 121.223 0.233 0.000 2.607 341 L HA 0.107 4.435 4.340 -0.020 0.000 0.228 341 L C 1.065 178.186 176.870 0.419 0.000 1.123 341 L CA -0.072 54.921 54.840 0.254 0.000 0.890 341 L CB -0.108 41.973 42.059 0.036 0.000 1.103 341 L HN 0.224 nan 8.230 nan 0.000 0.468 342 H N -0.231 119.015 119.070 0.293 0.000 2.333 342 H HA 0.084 4.628 4.556 -0.021 0.000 0.302 342 H C 0.219 175.686 175.328 0.231 0.000 1.075 342 H CA 0.896 57.090 56.048 0.243 0.000 1.348 342 H CB 0.413 30.262 29.762 0.145 0.000 1.393 342 H HN -0.058 nan 8.280 nan 0.000 0.509 343 V N 1.296 121.381 119.914 0.285 0.000 2.525 343 V HA 0.151 4.259 4.120 -0.020 0.000 0.299 343 V C -1.776 174.182 176.094 -0.227 0.000 1.034 343 V CA -1.343 60.993 62.300 0.059 0.000 0.863 343 V CB 2.287 34.135 31.823 0.042 0.000 0.999 343 V HN 0.086 nan 8.190 nan 0.000 0.423 344 P HA -0.162 nan 4.420 nan 0.000 0.216 344 P C 1.500 178.462 177.300 -0.564 0.000 1.150 344 P CA 1.766 64.082 63.100 -1.306 0.000 0.843 344 P CB 0.219 31.317 31.700 -1.003 0.000 0.787 345 S N -2.530 112.991 115.700 -0.298 0.000 2.558 345 S HA -0.005 4.453 4.470 -0.020 0.000 0.217 345 S C 1.459 176.004 174.600 -0.092 0.000 0.975 345 S CA 0.301 58.404 58.200 -0.161 0.000 0.912 345 S CB -0.763 62.368 63.200 -0.114 0.000 0.776 345 S HN 0.010 nan 8.310 nan 0.000 0.526 346 D N 2.101 122.455 120.400 -0.078 0.000 2.084 346 D HA 0.007 4.635 4.640 -0.020 0.000 0.194 346 D C 0.350 176.643 176.300 -0.010 0.000 0.990 346 D CA 0.900 54.887 54.000 -0.022 0.000 0.826 346 D CB -0.197 40.609 40.800 0.010 0.000 0.971 346 D HN 0.284 nan 8.370 nan 0.000 0.453 347 V N 2.082 121.985 119.914 -0.018 0.000 2.350 347 V HA 0.267 4.375 4.120 -0.020 0.000 0.276 347 V C 0.182 176.268 176.094 -0.014 0.000 1.028 347 V CA -0.401 61.887 62.300 -0.019 0.000 0.860 347 V CB 1.337 33.118 31.823 -0.069 0.000 0.990 347 V HN -0.024 nan 8.190 nan 0.000 0.453 348 I N 5.023 125.600 120.570 0.012 0.000 2.355 348 I HA 0.252 4.410 4.170 -0.020 0.000 0.288 348 I C 1.187 177.326 176.117 0.037 0.000 0.999 348 I CA -0.351 60.964 61.300 0.025 0.000 1.163 348 I CB 1.722 39.736 38.000 0.023 0.000 1.316 348 I HN 0.419 nan 8.210 nan 0.000 0.454 349 V N 6.233 126.171 119.914 0.041 0.000 2.277 349 V HA -0.350 3.758 4.120 -0.020 0.000 0.253 349 V C 2.212 178.198 176.094 -0.180 0.000 1.067 349 V CA 2.992 65.264 62.300 -0.048 0.000 1.047 349 V CB -0.362 31.416 31.823 -0.075 0.000 0.649 349 V HN 1.043 nan 8.190 nan 0.000 0.447 350 D N 0.223 120.563 120.400 -0.100 0.000 2.182 350 D HA -0.115 4.513 4.640 -0.020 0.000 0.201 350 D C 1.810 178.107 176.300 -0.006 0.000 0.986 350 D CA 1.930 55.909 54.000 -0.035 0.000 0.847 350 D CB -0.378 40.513 40.800 0.151 0.000 0.942 350 D HN 0.596 nan 8.370 nan 0.000 0.467 351 A N 0.548 123.369 122.820 0.000 0.000 2.035 351 A HA 0.094 4.402 4.320 -0.020 0.000 0.208 351 A C 2.268 179.851 177.584 -0.002 0.000 1.206 351 A CA 0.938 52.980 52.037 0.008 0.000 0.773 351 A CB -0.199 18.816 19.000 0.024 0.000 0.878 351 A HN 0.321 nan 8.150 nan 0.000 0.469 352 S N -0.373 115.333 115.700 0.010 0.000 2.387 352 S HA -0.119 4.339 4.470 -0.020 0.000 0.226 352 S C 1.935 176.511 174.600 -0.040 0.000 1.026 352 S CA 1.483 59.717 58.200 0.057 0.000 0.972 352 S CB -0.420 62.897 63.200 0.194 0.000 0.814 352 S HN 0.280 nan 8.310 nan 0.000 0.477 353 M N 1.921 121.376 119.600 -0.242 0.000 2.099 353 M HA 0.117 4.585 4.480 -0.020 0.000 0.262 353 M C -0.772 175.395 176.300 -0.222 0.000 1.067 353 M CA 0.756 55.762 55.300 -0.490 0.000 1.124 353 M CB -2.556 29.337 32.600 -1.177 0.000 1.353 353 M HN 0.218 nan 8.290 nan 0.000 0.410 354 P HA -0.032 nan 4.420 nan 0.000 0.217 354 P C 1.288 178.599 177.300 0.019 0.000 1.150 354 P CA 1.750 64.848 63.100 -0.003 0.000 0.832 354 P CB -0.149 31.554 31.700 0.005 0.000 0.787 355 A N -0.256 122.563 122.820 -0.001 0.000 1.902 355 A HA -0.209 4.098 4.320 -0.020 0.000 0.217 355 A C 2.189 179.769 177.584 -0.007 0.000 1.181 355 A CA 1.797 53.840 52.037 0.009 0.000 0.623 355 A CB -1.543 17.464 19.000 0.012 0.000 0.818 355 A HN 0.101 nan 8.150 nan 0.000 0.443 356 M N -0.073 119.512 119.600 -0.026 0.000 2.099 356 M HA -0.089 4.378 4.480 -0.020 0.000 0.262 356 M C 2.013 178.334 176.300 0.035 0.000 1.067 356 M CA 1.840 57.114 55.300 -0.043 0.000 1.124 356 M CB -0.685 31.877 32.600 -0.063 0.000 1.353 356 M HN 0.428 nan 8.290 nan 0.000 0.410 357 I N -0.123 120.522 120.570 0.125 0.000 2.226 357 I HA -0.327 3.831 4.170 -0.020 0.000 0.245 357 I C 2.744 179.122 176.117 0.435 0.000 1.100 357 I CA 1.396 62.912 61.300 0.360 0.000 1.374 357 I CB -0.590 37.569 38.000 0.265 0.000 1.057 357 I HN 0.400 nan 8.210 nan 0.000 0.413 358 R N 0.806 121.458 120.500 0.254 0.000 2.075 358 R HA -0.186 4.141 4.340 -0.020 0.000 0.232 358 R C 0.811 177.199 176.300 0.147 0.000 1.126 358 R CA 1.535 57.785 56.100 0.250 0.000 0.963 358 R CB -0.121 30.284 30.300 0.174 0.000 0.858 358 R HN 0.133 nan 8.270 nan 0.000 0.435 359 D N 0.546 120.956 120.400 0.016 0.000 2.994 359 D HA 0.091 4.719 4.640 -0.020 0.000 0.240 359 D C -0.543 175.586 176.300 -0.285 0.000 1.195 359 D CA 0.190 54.116 54.000 -0.124 0.000 0.957 359 D CB -0.071 40.618 40.800 -0.186 0.000 1.105 359 D HN 0.206 nan 8.370 nan 0.000 0.477 360 S N 0.042 115.501 115.700 -0.401 0.000 3.358 360 S HA -0.209 4.249 4.470 -0.020 0.000 0.309 360 S C 1.270 175.054 174.600 -1.361 0.000 1.247 360 S CA 0.834 58.426 58.200 -1.014 0.000 0.961 360 S CB -1.672 61.141 63.200 -0.646 0.000 1.074 360 S HN 0.858 nan 8.310 nan 0.000 0.625 361 G N 0.087 108.448 108.800 -0.732 0.000 2.160 361 G HA2 -0.297 3.651 3.960 -0.020 0.000 0.244 361 G HA3 -0.297 3.651 3.960 -0.020 0.000 0.244 361 G C -0.262 174.458 174.900 -0.300 0.000 1.022 361 G CA 0.796 45.652 45.100 -0.406 0.000 0.741 361 G HN 0.691 nan 8.290 nan 0.000 0.508 362 K N -1.068 119.147 120.400 -0.309 0.000 2.295 362 K HA 0.882 5.190 4.320 -0.020 0.000 0.239 362 K C 0.232 176.669 176.600 -0.273 0.000 0.991 362 K CA -0.867 55.256 56.287 -0.273 0.000 0.845 362 K CB 1.589 33.883 32.500 -0.344 0.000 1.197 362 K HN 0.200 nan 8.250 nan 0.000 0.441 363 M N 0.143 119.597 119.600 -0.243 0.000 2.667 363 M HA 0.369 4.837 4.480 -0.020 0.000 0.286 363 M C -1.465 174.698 176.300 -0.228 0.000 1.270 363 M CA -0.798 54.350 55.300 -0.253 0.000 0.826 363 M CB 1.910 34.476 32.600 -0.057 0.000 1.743 363 M HN 0.488 nan 8.290 nan 0.000 0.460 364 W N 0.498 121.801 121.300 0.005 0.000 2.266 364 W HA 0.515 5.161 4.660 -0.023 0.000 0.317 364 W C 0.672 177.229 176.519 0.062 0.000 1.310 364 W CA -0.277 57.075 57.345 0.013 0.000 1.207 364 W CB 0.344 29.799 29.460 -0.008 0.000 1.199 364 W HN 0.614 nan 8.180 nan 0.000 0.544 365 G N 2.420 111.473 108.800 0.421 0.000 2.521 365 G HA2 0.361 4.309 3.960 -0.020 0.000 0.323 365 G HA3 0.361 4.309 3.960 -0.020 0.000 0.323 365 G C -2.124 172.882 174.900 0.177 0.000 1.211 365 G CA -1.313 43.967 45.100 0.300 0.000 0.979 365 G HN 0.202 nan 8.290 nan 0.000 0.490 366 P HA -0.077 nan 4.420 nan 0.000 0.219 366 P C 1.052 178.366 177.300 0.024 0.000 1.146 366 P CA 1.401 64.502 63.100 0.001 0.000 0.808 366 P CB 0.194 31.863 31.700 -0.052 0.000 0.779 367 D N -1.931 118.519 120.400 0.084 0.000 2.349 367 D HA 0.057 4.684 4.640 -0.020 0.000 0.224 367 D C 1.419 177.775 176.300 0.093 0.000 1.029 367 D CA 0.689 54.743 54.000 0.091 0.000 0.879 367 D CB -1.054 39.827 40.800 0.136 0.000 0.906 367 D HN 0.204 nan 8.370 nan 0.000 0.528 368 G N -0.004 108.860 108.800 0.107 0.000 2.159 368 G HA2 -0.300 3.648 3.960 -0.020 0.000 0.256 368 G HA3 -0.300 3.648 3.960 -0.020 0.000 0.256 368 G C 0.112 175.134 174.900 0.202 0.000 0.977 368 G CA 0.401 45.526 45.100 0.040 0.000 0.652 368 G HN 0.523 nan 8.290 nan 0.000 0.531 369 K N -0.605 119.969 120.400 0.290 0.000 2.258 369 K HA 0.772 5.079 4.320 -0.020 0.000 0.236 369 K C 0.354 176.939 176.600 -0.026 0.000 1.008 369 K CA -1.057 55.343 56.287 0.189 0.000 0.869 369 K CB 1.614 34.107 32.500 -0.013 0.000 1.171 369 K HN 0.092 nan 8.250 nan 0.000 0.447 370 L N 2.400 123.430 121.223 -0.322 0.000 2.371 370 L HA 0.293 4.621 4.340 -0.020 0.000 0.272 370 L C -0.022 176.401 176.870 -0.745 0.000 1.124 370 L CA -0.190 54.336 54.840 -0.522 0.000 0.816 370 L CB 0.301 42.038 42.059 -0.536 0.000 1.129 370 L HN 0.477 nan 8.230 nan 0.000 0.448 371 H N 0.403 119.396 119.070 -0.129 0.000 3.012 371 H HA 0.251 4.795 4.556 -0.020 0.000 0.367 371 H C -1.227 174.034 175.328 -0.112 0.000 1.211 371 H CA -0.951 55.043 56.048 -0.091 0.000 1.139 371 H CB 1.817 31.557 29.762 -0.037 0.000 1.838 371 H HN 0.488 nan 8.280 nan 0.000 0.550 372 D N 0.836 121.256 120.400 0.033 0.000 2.378 372 D HA 0.182 4.810 4.640 -0.020 0.000 0.238 372 D C 0.444 176.752 176.300 0.014 0.000 1.180 372 D CA 0.784 54.774 54.000 -0.016 0.000 0.895 372 D CB 0.899 41.704 40.800 0.008 0.000 1.192 372 D HN 0.398 nan 8.370 nan 0.000 0.438 373 T N -0.449 114.099 114.554 -0.010 0.000 2.894 373 T HA 0.320 4.658 4.350 -0.020 0.000 0.309 373 T C -1.291 173.341 174.700 -0.114 0.000 1.208 373 T CA -0.941 61.146 62.100 -0.023 0.000 1.016 373 T CB 1.110 69.975 68.868 -0.005 0.000 1.192 373 T HN 0.292 nan 8.240 nan 0.000 0.491 374 K N 3.037 123.342 120.400 -0.157 0.000 2.268 374 K HA 0.675 4.982 4.320 -0.020 0.000 0.276 374 K C -0.381 176.120 176.600 -0.165 0.000 1.080 374 K CA -0.631 55.422 56.287 -0.391 0.000 0.910 374 K CB 0.430 32.795 32.500 -0.224 0.000 1.163 374 K HN 0.633 nan 8.250 nan 0.000 0.465 375 A N 4.745 127.474 122.820 -0.152 0.000 2.343 375 A HA 0.255 4.563 4.320 -0.020 0.000 0.305 375 A C -0.263 177.388 177.584 0.112 0.000 1.308 375 A CA -0.635 51.422 52.037 0.034 0.000 0.949 375 A CB 0.376 19.281 19.000 -0.159 0.000 1.148 375 A HN 0.530 nan 8.150 nan 0.000 0.545 376 V N 4.667 124.701 119.914 0.201 0.000 2.470 376 V HA 0.196 4.303 4.120 -0.020 0.000 0.276 376 V C 0.138 176.415 176.094 0.304 0.000 1.040 376 V CA 0.539 62.995 62.300 0.260 0.000 1.008 376 V CB 0.211 32.166 31.823 0.220 0.000 0.990 376 V HN 0.689 nan 8.190 nan 0.000 0.477 377 I N 7.342 128.098 120.570 0.310 0.000 2.641 377 I HA 0.245 4.403 4.170 -0.020 0.000 0.275 377 I C -1.820 174.435 176.117 0.231 0.000 1.129 377 I CA -1.522 59.943 61.300 0.274 0.000 1.094 377 I CB 1.982 40.142 38.000 0.266 0.000 1.232 377 I HN 0.425 nan 8.210 nan 0.000 0.503 378 P HA -0.196 nan 4.420 nan 0.000 0.215 378 P C 0.237 177.447 177.300 -0.150 0.000 1.163 378 P CA 1.385 64.403 63.100 -0.136 0.000 0.894 378 P CB 0.123 31.805 31.700 -0.031 0.000 0.791 379 D N -1.696 118.716 120.400 0.020 0.000 2.351 379 D HA 0.067 4.695 4.640 -0.020 0.000 0.251 379 D C 1.118 177.388 176.300 -0.049 0.000 1.137 379 D CA -0.135 53.881 54.000 0.027 0.000 0.879 379 D CB 0.514 41.436 40.800 0.203 0.000 1.181 379 D HN -0.157 nan 8.370 nan 0.000 0.448 380 R N 2.401 122.786 120.500 -0.192 0.000 2.280 380 R HA -0.046 4.282 4.340 -0.020 0.000 0.207 380 R C 1.830 177.788 176.300 -0.571 0.000 1.043 380 R CA 0.227 56.023 56.100 -0.507 0.000 1.006 380 R CB -0.304 29.517 30.300 -0.799 0.000 0.885 380 R HN 0.579 nan 8.270 nan 0.000 0.467 381 C N -0.578 118.490 119.300 -0.387 0.000 2.385 381 C HA -0.167 4.281 4.460 -0.020 0.000 0.275 381 C C 1.829 176.397 174.990 -0.703 0.000 1.207 381 C CA 0.990 59.661 59.018 -0.578 0.000 1.760 381 C CB -0.642 26.532 27.740 -0.945 0.000 2.051 381 C HN 0.529 nan 8.230 nan 0.000 0.467 382 Y N -1.016 119.335 120.300 0.086 0.000 2.471 382 Y HA 0.375 4.918 4.550 -0.011 0.000 0.249 382 Y C 2.221 178.215 175.900 0.156 0.000 1.116 382 Y CA 0.370 58.555 58.100 0.142 0.000 1.240 382 Y CB -0.599 38.020 38.460 0.265 0.000 1.251 382 Y HN 0.117 nan 8.280 nan 0.000 0.527 383 A N 0.956 123.898 122.820 0.202 0.000 1.917 383 A HA -0.165 4.143 4.320 -0.020 0.000 0.219 383 A C 2.455 180.159 177.584 0.200 0.000 1.182 383 A CA 2.088 54.273 52.037 0.247 0.000 0.633 383 A CB -1.347 17.753 19.000 0.167 0.000 0.819 383 A HN 0.495 nan 8.150 nan 0.000 0.448 384 G N -0.653 108.168 108.800 0.035 0.000 2.442 384 G HA2 -0.128 3.820 3.960 -0.020 0.000 0.219 384 G HA3 -0.128 3.820 3.960 -0.020 0.000 0.219 384 G C 1.504 176.463 174.900 0.100 0.000 1.141 384 G CA 1.191 46.318 45.100 0.044 0.000 0.763 384 G HN 0.332 nan 8.290 nan 0.000 0.554 385 V N -0.142 119.833 119.914 0.102 0.000 2.287 385 V HA -0.250 3.858 4.120 -0.020 0.000 0.248 385 V C 2.404 178.543 176.094 0.075 0.000 1.053 385 V CA 1.829 64.185 62.300 0.094 0.000 1.027 385 V CB -0.713 31.180 31.823 0.116 0.000 0.646 385 V HN 0.536 nan 8.190 nan 0.000 0.447 386 Y N -0.433 119.959 120.300 0.153 0.000 2.242 386 Y HA -0.267 4.267 4.550 -0.027 0.000 0.291 386 Y C 2.741 178.689 175.900 0.080 0.000 1.137 386 Y CA 1.493 59.645 58.100 0.086 0.000 1.181 386 Y CB -0.212 38.273 38.460 0.042 0.000 0.989 386 Y HN 0.240 nan 8.280 nan 0.000 0.527 387 Q N 0.569 120.525 119.800 0.259 0.000 2.084 387 Q HA -0.138 4.190 4.340 -0.020 0.000 0.202 387 Q C 2.120 178.198 176.000 0.129 0.000 0.978 387 Q CA 1.805 57.723 55.803 0.192 0.000 0.844 387 Q CB -0.630 28.231 28.738 0.204 0.000 0.898 387 Q HN 0.328 nan 8.270 nan 0.000 0.426 388 V N -0.458 119.526 119.914 0.117 0.000 2.343 388 V HA -0.238 3.869 4.120 -0.020 0.000 0.247 388 V C 2.269 178.407 176.094 0.074 0.000 1.051 388 V CA 1.614 63.964 62.300 0.084 0.000 1.036 388 V CB -0.554 31.317 31.823 0.079 0.000 0.654 388 V HN 0.255 nan 8.190 nan 0.000 0.451 389 V N -0.227 119.749 119.914 0.104 0.000 2.358 389 V HA -0.248 3.859 4.120 -0.020 0.000 0.246 389 V C 2.174 178.228 176.094 -0.066 0.000 1.047 389 V CA 2.123 64.480 62.300 0.095 0.000 1.035 389 V CB -0.492 31.421 31.823 0.150 0.000 0.658 389 V HN 0.435 nan 8.190 nan 0.000 0.452 390 I N 0.044 120.584 120.570 -0.050 0.000 2.179 390 I HA -0.261 3.897 4.170 -0.020 0.000 0.242 390 I C 2.576 178.529 176.117 -0.274 0.000 1.088 390 I CA 1.763 62.947 61.300 -0.194 0.000 1.357 390 I CB -0.426 37.615 38.000 0.068 0.000 1.051 390 I HN 0.407 nan 8.210 nan 0.000 0.409 391 E N 0.391 120.531 120.200 -0.102 0.000 2.110 391 E HA -0.275 4.063 4.350 -0.020 0.000 0.193 391 E C 1.636 178.138 176.600 -0.163 0.000 0.988 391 E CA 1.520 57.865 56.400 -0.091 0.000 0.804 391 E CB -0.179 29.510 29.700 -0.019 0.000 0.745 391 E HN 0.470 nan 8.360 nan 0.000 0.458 392 D N 0.117 120.432 120.400 -0.142 0.000 2.117 392 D HA -0.139 4.489 4.640 -0.020 0.000 0.197 392 D C 1.711 177.835 176.300 -0.293 0.000 0.987 392 D CA 1.044 54.985 54.000 -0.097 0.000 0.829 392 D CB 0.004 40.816 40.800 0.021 0.000 0.961 392 D HN 0.129 nan 8.370 nan 0.000 0.460 393 C N 0.243 119.182 119.300 -0.602 0.000 2.450 393 C HA 0.050 4.498 4.460 -0.020 0.000 0.279 393 C C 2.391 177.007 174.990 -0.624 0.000 1.335 393 C CA 0.215 58.660 59.018 -0.954 0.000 1.749 393 C CB -0.665 25.902 27.740 -1.954 0.000 1.963 393 C HN 0.363 nan 8.230 nan 0.000 0.501 394 K N 0.540 120.670 120.400 -0.449 0.000 2.097 394 K HA -0.217 4.090 4.320 -0.020 0.000 0.206 394 K C 2.190 178.715 176.600 -0.124 0.000 1.049 394 K CA 1.376 57.613 56.287 -0.082 0.000 0.933 394 K CB -0.248 32.251 32.500 -0.002 0.000 0.717 394 K HN 0.589 nan 8.250 nan 0.000 0.442 395 Q N -0.194 119.454 119.800 -0.253 0.000 2.163 395 Q HA -0.103 4.224 4.340 -0.020 0.000 0.198 395 Q C 1.160 176.876 176.000 -0.473 0.000 0.954 395 Q CA 1.039 56.615 55.803 -0.378 0.000 0.851 395 Q CB 0.372 28.793 28.738 -0.529 0.000 0.928 395 Q HN 0.435 nan 8.270 nan 0.000 0.459 396 H N -1.046 117.936 119.070 -0.147 0.000 2.755 396 H HA 0.322 4.866 4.556 -0.021 0.000 0.273 396 H C 0.744 175.979 175.328 -0.155 0.000 1.055 396 H CA 0.722 56.687 56.048 -0.139 0.000 1.191 396 H CB 1.144 30.813 29.762 -0.154 0.000 1.536 396 H HN 0.389 nan 8.280 nan 0.000 0.529 397 G N 1.016 109.760 108.800 -0.093 0.000 2.796 397 G HA2 -0.095 3.853 3.960 -0.020 0.000 0.571 397 G HA3 -0.095 3.853 3.960 -0.020 0.000 0.571 397 G C -0.042 174.750 174.900 -0.181 0.000 1.370 397 G CA -0.408 44.666 45.100 -0.044 0.000 0.856 397 G HN 0.545 nan 8.290 nan 0.000 0.538 398 A N -0.429 122.386 122.820 -0.008 0.000 2.507 398 A HA 0.584 4.892 4.320 -0.020 0.000 0.235 398 A C 0.440 177.947 177.584 -0.129 0.000 1.070 398 A CA 0.441 52.464 52.037 -0.024 0.000 0.768 398 A CB -0.024 19.090 19.000 0.189 0.000 1.011 398 A HN 1.252 nan 8.150 nan 0.000 0.502 399 F N 0.272 120.259 119.950 0.061 0.000 2.459 399 F HA 0.207 4.726 4.527 -0.013 0.000 0.346 399 F C 0.928 176.749 175.800 0.034 0.000 1.128 399 F CA 0.436 58.464 58.000 0.047 0.000 1.268 399 F CB 0.681 39.725 39.000 0.074 0.000 1.161 399 F HN 0.552 nan 8.300 nan 0.000 0.583 400 D N 3.704 124.235 120.400 0.218 0.000 2.454 400 D HA 0.270 4.898 4.640 -0.020 0.000 0.225 400 D C -2.020 174.331 176.300 0.084 0.000 1.081 400 D CA -2.512 51.546 54.000 0.097 0.000 0.864 400 D CB 1.505 42.339 40.800 0.057 0.000 1.040 400 D HN 0.079 nan 8.370 nan 0.000 0.517 401 P HA -0.098 nan 4.420 nan 0.000 0.222 401 P C 1.233 178.552 177.300 0.031 0.000 1.147 401 P CA 1.182 64.312 63.100 0.049 0.000 0.790 401 P CB 0.161 31.832 31.700 -0.049 0.000 0.780 402 T N -5.077 109.476 114.554 -0.001 0.000 3.055 402 T HA -0.039 4.299 4.350 -0.020 0.000 0.265 402 T C 1.433 176.132 174.700 -0.002 0.000 1.111 402 T CA 1.681 63.774 62.100 -0.012 0.000 1.118 402 T CB -1.027 67.821 68.868 -0.033 0.000 0.909 402 T HN 0.211 nan 8.240 nan 0.000 0.501 403 T N -0.981 113.580 114.554 0.013 0.000 2.992 403 T HA 0.371 4.709 4.350 -0.020 0.000 0.255 403 T C 0.810 175.520 174.700 0.016 0.000 0.938 403 T CA -0.391 61.715 62.100 0.009 0.000 0.895 403 T CB -0.394 68.478 68.868 0.006 0.000 1.221 403 T HN 0.580 nan 8.240 nan 0.000 0.512 404 M N 1.875 121.499 119.600 0.039 0.000 2.250 404 M HA 0.570 5.038 4.480 -0.020 0.000 0.325 404 M C 0.864 177.167 176.300 0.004 0.000 1.084 404 M CA -0.049 55.273 55.300 0.038 0.000 1.161 404 M CB 0.190 32.836 32.600 0.076 0.000 1.481 404 M HN 0.117 nan 8.290 nan 0.000 0.449 405 G N 1.791 110.576 108.800 -0.025 0.000 2.504 405 G HA2 0.509 4.456 3.960 -0.020 0.000 0.257 405 G HA3 0.509 4.456 3.960 -0.020 0.000 0.257 405 G C -1.032 173.825 174.900 -0.071 0.000 1.451 405 G CA -0.859 44.211 45.100 -0.052 0.000 1.059 405 G HN 0.799 nan 8.290 nan 0.000 0.550 406 S N -2.143 113.493 115.700 -0.108 0.000 2.570 406 S HA 0.546 5.004 4.470 -0.020 0.000 0.286 406 S C -0.981 173.467 174.600 -0.253 0.000 1.099 406 S CA -0.420 57.695 58.200 -0.142 0.000 0.913 406 S CB 2.222 65.370 63.200 -0.088 0.000 1.085 406 S HN 0.425 nan 8.310 nan 0.000 0.480 407 V N 3.833 123.512 119.914 -0.391 0.000 2.327 407 V HA 0.349 4.457 4.120 -0.020 0.000 0.272 407 V C -2.443 173.450 176.094 -0.335 0.000 1.019 407 V CA -1.610 60.361 62.300 -0.549 0.000 0.814 407 V CB 0.801 31.797 31.823 -1.378 0.000 1.040 407 V HN 0.607 nan 8.190 nan 0.000 0.440 408 P HA 0.271 nan 4.420 nan 0.000 0.277 408 P C -0.655 176.560 177.300 -0.142 0.000 1.271 408 P CA -0.466 62.558 63.100 -0.126 0.000 0.795 408 P CB 0.762 32.401 31.700 -0.102 0.000 1.101 409 N N -0.608 118.023 118.700 -0.115 0.000 2.260 409 N HA 0.321 5.048 4.740 -0.020 0.000 0.293 409 N C -2.004 173.442 175.510 -0.108 0.000 1.058 409 N CA -0.461 52.507 53.050 -0.137 0.000 0.824 409 N CB 1.767 40.174 38.487 -0.133 0.000 1.551 409 N HN -0.024 nan 8.380 nan 0.000 0.475 410 V N 1.988 121.836 119.914 -0.110 0.000 2.326 410 V HA 0.560 4.668 4.120 -0.020 0.000 0.281 410 V C 0.565 176.733 176.094 0.122 0.000 1.015 410 V CA -0.602 61.671 62.300 -0.046 0.000 0.823 410 V CB 0.984 32.710 31.823 -0.161 0.000 1.009 410 V HN 0.730 nan 8.190 nan 0.000 0.436 411 G N 3.711 112.566 108.800 0.092 0.000 2.416 411 G HA2 0.606 4.554 3.960 -0.020 0.000 0.329 411 G HA3 0.606 4.554 3.960 -0.020 0.000 0.329 411 G C -1.178 173.650 174.900 -0.119 0.000 1.173 411 G CA -0.742 44.372 45.100 0.023 0.000 0.929 411 G HN 0.573 nan 8.290 nan 0.000 0.475 412 L N 2.801 123.703 121.223 -0.534 0.000 2.315 412 L HA 0.585 4.913 4.340 -0.020 0.000 0.283 412 L C 0.967 177.567 176.870 -0.450 0.000 1.089 412 L CA 0.053 54.438 54.840 -0.758 0.000 0.833 412 L CB 0.644 41.891 42.059 -1.353 0.000 1.170 412 L HN 0.723 nan 8.230 nan 0.000 0.442 413 M N 3.506 122.915 119.600 -0.318 0.000 2.054 413 M HA 0.510 4.978 4.480 -0.020 0.000 0.386 413 M C 0.544 176.721 176.300 -0.206 0.000 0.824 413 M CA -0.223 54.894 55.300 -0.304 0.000 1.140 413 M CB 0.087 32.470 32.600 -0.361 0.000 2.218 413 M HN 0.426 nan 8.290 nan 0.000 0.752 414 A N 2.525 125.253 122.820 -0.153 0.000 2.567 414 A HA 0.142 4.450 4.320 -0.020 0.000 0.240 414 A C 0.578 178.112 177.584 -0.084 0.000 1.053 414 A CA 0.852 52.829 52.037 -0.100 0.000 0.755 414 A CB -0.246 18.715 19.000 -0.066 0.000 0.978 414 A HN 0.669 nan 8.150 nan 0.000 0.507 415 Q N 0.576 120.338 119.800 -0.063 0.000 2.470 415 Q HA -0.196 4.132 4.340 -0.020 0.000 0.294 415 Q C -0.227 175.747 176.000 -0.043 0.000 1.356 415 Q CA 0.882 56.659 55.803 -0.043 0.000 0.805 415 Q CB -1.590 27.129 28.738 -0.032 0.000 1.157 415 Q HN 0.960 nan 8.270 nan 0.000 0.431 416 K N -2.965 117.408 120.400 -0.045 0.000 3.148 416 K HA -0.187 4.121 4.320 -0.020 0.000 0.267 416 K C 0.142 176.718 176.600 -0.040 0.000 0.996 416 K CA 0.631 56.908 56.287 -0.017 0.000 0.737 416 K CB -1.806 30.699 32.500 0.008 0.000 1.308 416 K HN 0.595 nan 8.250 nan 0.000 0.470 417 A N 1.647 124.414 122.820 -0.089 0.000 2.498 417 A HA 0.198 4.505 4.320 -0.020 0.000 0.239 417 A C 0.953 178.482 177.584 -0.091 0.000 1.068 417 A CA 0.788 52.763 52.037 -0.104 0.000 0.766 417 A CB 0.086 18.986 19.000 -0.165 0.000 1.003 417 A HN 0.517 nan 8.150 nan 0.000 0.497 418 E N 0.426 120.561 120.200 -0.108 0.000 3.374 418 E HA -0.328 4.009 4.350 -0.020 0.000 0.319 418 E C 0.886 177.391 176.600 -0.158 0.000 1.492 418 E CA 1.521 57.819 56.400 -0.169 0.000 1.899 418 E CB -1.010 28.581 29.700 -0.181 0.000 1.894 418 E HN 0.814 nan 8.360 nan 0.000 0.484 419 E N -0.228 119.887 120.200 -0.142 0.000 2.171 419 E HA -0.190 4.148 4.350 -0.020 0.000 0.197 419 E C 1.765 178.209 176.600 -0.261 0.000 0.997 419 E CA 1.764 58.041 56.400 -0.205 0.000 0.810 419 E CB -0.247 29.352 29.700 -0.168 0.000 0.738 419 E HN 0.334 nan 8.360 nan 0.000 0.467 420 Y N -0.681 119.486 120.300 -0.222 0.000 2.483 420 Y HA -0.003 4.533 4.550 -0.023 0.000 0.291 420 Y C 2.105 177.849 175.900 -0.261 0.000 1.143 420 Y CA 1.205 59.215 58.100 -0.150 0.000 1.289 420 Y CB -0.066 38.346 38.460 -0.081 0.000 0.983 420 Y HN 0.069 nan 8.280 nan 0.000 0.556 421 G N -1.944 106.736 108.800 -0.201 0.000 3.651 421 G HA2 0.075 4.023 3.960 -0.020 0.000 0.279 421 G HA3 0.075 4.023 3.960 -0.020 0.000 0.279 421 G C 1.086 175.787 174.900 -0.332 0.000 1.024 421 G CA 0.423 45.395 45.100 -0.214 0.000 0.813 421 G HN 0.326 nan 8.290 nan 0.000 0.518 422 S N -0.379 114.983 115.700 -0.563 0.000 2.528 422 S HA -0.009 4.449 4.470 -0.020 0.000 0.219 422 S C 1.855 176.214 174.600 -0.402 0.000 0.985 422 S CA 0.085 58.020 58.200 -0.440 0.000 0.914 422 S CB -0.426 62.521 63.200 -0.422 0.000 0.776 422 S HN 0.416 nan 8.310 nan 0.000 0.526 423 H N 3.260 122.248 119.070 -0.137 0.000 2.353 423 H HA -0.099 4.443 4.556 -0.023 0.000 0.298 423 H C 1.597 176.823 175.328 -0.170 0.000 1.103 423 H CA 1.800 57.763 56.048 -0.142 0.000 1.293 423 H CB -0.829 28.870 29.762 -0.104 0.000 1.372 423 H HN 0.719 nan 8.280 nan 0.000 0.501 424 D N 0.758 121.135 120.400 -0.038 0.000 2.349 424 D HA -0.038 4.590 4.640 -0.020 0.000 0.224 424 D C 0.786 177.008 176.300 -0.129 0.000 1.029 424 D CA 0.359 54.325 54.000 -0.056 0.000 0.879 424 D CB -0.196 40.621 40.800 0.029 0.000 0.906 424 D HN 0.280 nan 8.370 nan 0.000 0.528 425 K N -0.643 119.633 120.400 -0.207 0.000 2.592 425 K HA 0.182 4.490 4.320 -0.020 0.000 0.203 425 K C -0.533 175.898 176.600 -0.282 0.000 1.070 425 K CA -0.185 56.045 56.287 -0.094 0.000 1.062 425 K CB 1.273 33.825 32.500 0.087 0.000 0.814 425 K HN -0.069 nan 8.250 nan 0.000 0.502 426 T N 1.024 115.190 114.554 -0.648 0.000 2.779 426 T HA 0.526 4.864 4.350 -0.020 0.000 0.280 426 T C -0.849 173.461 174.700 -0.650 0.000 0.987 426 T CA -0.328 61.542 62.100 -0.383 0.000 0.966 426 T CB 0.516 69.276 68.868 -0.180 0.000 0.933 426 T HN -0.062 nan 8.240 nan 0.000 0.442 427 F N 1.298 121.423 119.950 0.292 0.000 2.569 427 F HA 0.452 4.969 4.527 -0.018 0.000 0.312 427 F C 0.217 176.137 175.800 0.201 0.000 1.109 427 F CA -1.239 56.884 58.000 0.206 0.000 0.919 427 F CB 2.069 41.161 39.000 0.154 0.000 1.211 427 F HN 0.354 nan 8.300 nan 0.000 0.446 428 Q N 3.244 123.228 119.800 0.306 0.000 2.294 428 Q HA 0.362 4.690 4.340 -0.020 0.000 0.257 428 Q C -0.582 175.535 176.000 0.195 0.000 0.955 428 Q CA -0.612 55.323 55.803 0.220 0.000 0.936 428 Q CB 0.680 29.511 28.738 0.154 0.000 1.188 428 Q HN 0.462 nan 8.270 nan 0.000 0.420 429 I N 7.686 128.358 120.570 0.170 0.000 2.587 429 I HA -0.005 4.153 4.170 -0.020 0.000 0.284 429 I C -1.716 174.440 176.117 0.064 0.000 1.134 429 I CA -1.807 59.555 61.300 0.103 0.000 1.410 429 I CB 0.546 38.603 38.000 0.094 0.000 1.392 429 I HN 0.672 nan 8.210 nan 0.000 0.545 430 P HA -0.004 nan 4.420 nan 0.000 0.217 430 P C 0.040 177.348 177.300 0.014 0.000 1.151 430 P CA 1.001 64.114 63.100 0.022 0.000 0.828 430 P CB 0.512 32.213 31.700 0.002 0.000 0.788 431 A N -1.525 121.297 122.820 0.004 0.000 2.609 431 A HA 0.443 4.751 4.320 -0.020 0.000 0.291 431 A C -1.383 176.201 177.584 0.001 0.000 1.096 431 A CA -0.686 51.353 52.037 0.002 0.000 0.684 431 A CB 0.520 19.516 19.000 -0.007 0.000 1.282 431 A HN -0.213 nan 8.150 nan 0.000 0.412 432 D N 0.166 120.569 120.400 0.005 0.000 2.472 432 D HA 0.466 5.094 4.640 -0.020 0.000 0.237 432 D C 0.772 177.069 176.300 -0.005 0.000 1.141 432 D CA 1.999 56.003 54.000 0.007 0.000 0.875 432 D CB 1.111 41.917 40.800 0.010 0.000 1.192 432 D HN 1.155 nan 8.370 nan 0.000 0.450 433 G N -0.681 108.116 108.800 -0.004 0.000 2.512 433 G HA2 0.331 4.279 3.960 -0.020 0.000 0.181 433 G HA3 0.331 4.279 3.960 -0.020 0.000 0.181 433 G C -1.662 173.230 174.900 -0.014 0.000 1.173 433 G CA -0.102 44.988 45.100 -0.016 0.000 0.988 433 G HN 0.593 nan 8.290 nan 0.000 0.485 434 V N -0.173 119.719 119.914 -0.036 0.000 2.808 434 V HA 0.686 4.794 4.120 -0.020 0.000 0.308 434 V C -0.910 175.128 176.094 -0.093 0.000 1.099 434 V CA -0.648 61.633 62.300 -0.031 0.000 0.920 434 V CB 1.804 33.621 31.823 -0.010 0.000 1.014 434 V HN 0.936 nan 8.190 nan 0.000 0.425 435 V N 7.471 127.310 119.914 -0.126 0.000 2.439 435 V HA 0.629 4.736 4.120 -0.020 0.000 0.282 435 V C 0.118 176.127 176.094 -0.141 0.000 1.039 435 V CA -0.492 61.628 62.300 -0.300 0.000 0.913 435 V CB 1.629 32.980 31.823 -0.787 0.000 0.983 435 V HN 0.882 nan 8.190 nan 0.000 0.460 436 R N 3.102 123.511 120.500 -0.151 0.000 2.599 436 R HA 0.721 5.049 4.340 -0.020 0.000 0.295 436 R C -1.561 174.719 176.300 -0.032 0.000 0.963 436 R CA -0.706 55.367 56.100 -0.046 0.000 0.883 436 R CB 2.420 32.697 30.300 -0.040 0.000 1.171 436 R HN 0.501 nan 8.270 nan 0.000 0.450 437 V N 2.631 122.578 119.914 0.055 0.000 2.357 437 V HA 0.401 4.509 4.120 -0.020 0.000 0.284 437 V C 0.016 176.145 176.094 0.057 0.000 1.018 437 V CA -0.596 61.754 62.300 0.082 0.000 0.841 437 V CB 1.434 33.366 31.823 0.182 0.000 0.991 437 V HN 0.954 nan 8.190 nan 0.000 0.437 438 T N 0.251 114.825 114.554 0.034 0.000 2.893 438 T HA 0.680 5.017 4.350 -0.020 0.000 0.291 438 T C -0.669 174.047 174.700 0.027 0.000 1.028 438 T CA -0.900 61.216 62.100 0.026 0.000 0.995 438 T CB 2.166 71.040 68.868 0.010 0.000 1.051 438 T HN 0.646 nan 8.240 nan 0.000 0.470 439 D N 0.532 120.948 120.400 0.026 0.000 2.451 439 D HA 0.225 4.853 4.640 -0.020 0.000 0.259 439 D C 1.048 177.358 176.300 0.017 0.000 1.201 439 D CA -0.787 53.228 54.000 0.025 0.000 1.028 439 D CB 0.402 41.217 40.800 0.025 0.000 1.095 439 D HN 0.668 nan 8.370 nan 0.000 0.539 440 E N -0.885 119.324 120.200 0.016 0.000 2.209 440 E HA -0.173 4.165 4.350 -0.020 0.000 0.196 440 E C 1.506 178.111 176.600 0.009 0.000 0.993 440 E CA 1.523 57.929 56.400 0.011 0.000 0.819 440 E CB -0.145 29.562 29.700 0.012 0.000 0.745 440 E HN 0.561 nan 8.360 nan 0.000 0.477 441 S N -0.869 114.837 115.700 0.010 0.000 2.603 441 S HA 0.174 4.632 4.470 -0.020 0.000 0.220 441 S C 1.508 176.112 174.600 0.007 0.000 0.967 441 S CA 0.318 58.523 58.200 0.008 0.000 0.920 441 S CB 0.470 63.675 63.200 0.009 0.000 0.773 441 S HN 0.367 nan 8.310 nan 0.000 0.529 442 G N 1.269 110.073 108.800 0.007 0.000 2.159 442 G HA2 -0.309 3.638 3.960 -0.020 0.000 0.256 442 G HA3 -0.309 3.638 3.960 -0.020 0.000 0.256 442 G C -0.056 174.849 174.900 0.008 0.000 0.977 442 G CA 0.294 45.397 45.100 0.005 0.000 0.652 442 G HN 0.756 nan 8.290 nan 0.000 0.531 443 K N 0.301 120.708 120.400 0.011 0.000 2.368 443 K HA 0.465 4.773 4.320 -0.020 0.000 0.282 443 K C 0.348 176.960 176.600 0.019 0.000 1.035 443 K CA -0.835 55.460 56.287 0.014 0.000 0.973 443 K CB 0.344 32.853 32.500 0.015 0.000 0.957 443 K HN 0.205 nan 8.250 nan 0.000 0.474 444 L N 6.116 127.350 121.223 0.019 0.000 2.325 444 L HA 0.094 4.422 4.340 -0.020 0.000 0.284 444 L C 0.049 176.940 176.870 0.034 0.000 1.089 444 L CA 0.204 55.059 54.840 0.025 0.000 0.836 444 L CB 0.631 42.703 42.059 0.022 0.000 1.184 444 L HN 0.798 nan 8.230 nan 0.000 0.444 445 L N 5.562 126.813 121.223 0.046 0.000 2.221 445 L HA 0.308 4.636 4.340 -0.020 0.000 0.202 445 L C 0.166 177.077 176.870 0.069 0.000 1.074 445 L CA 0.921 55.793 54.840 0.053 0.000 0.795 445 L CB -0.240 41.854 42.059 0.059 0.000 0.960 445 L HN 0.463 nan 8.230 nan 0.000 0.458 446 L N -0.757 120.522 121.223 0.093 0.000 2.455 446 L HA 0.482 4.809 4.340 -0.020 0.000 0.264 446 L C -0.832 176.120 176.870 0.136 0.000 0.968 446 L CA -0.395 54.520 54.840 0.124 0.000 0.827 446 L CB 2.702 44.867 42.059 0.178 0.000 1.317 446 L HN -0.070 nan 8.230 nan 0.000 0.407 447 E N 2.693 122.969 120.200 0.127 0.000 2.263 447 E HA 0.479 4.817 4.350 -0.020 0.000 0.268 447 E C -1.619 175.067 176.600 0.143 0.000 0.884 447 E CA -0.609 55.858 56.400 0.113 0.000 0.766 447 E CB 2.351 32.090 29.700 0.064 0.000 1.196 447 E HN 0.480 nan 8.360 nan 0.000 0.416 448 Q N 2.240 122.146 119.800 0.178 0.000 2.274 448 Q HA 0.378 4.706 4.340 -0.020 0.000 0.268 448 Q C -1.602 174.484 176.000 0.143 0.000 1.015 448 Q CA -0.515 55.412 55.803 0.206 0.000 0.775 448 Q CB 2.134 31.113 28.738 0.402 0.000 1.256 448 Q HN 0.436 nan 8.270 nan 0.000 0.442 449 S N 2.012 117.775 115.700 0.105 0.000 2.549 449 S HA 0.597 5.055 4.470 -0.020 0.000 0.279 449 S C -0.323 174.333 174.600 0.095 0.000 1.321 449 S CA -0.204 58.040 58.200 0.072 0.000 1.054 449 S CB 0.399 63.632 63.200 0.054 0.000 0.899 449 S HN 0.593 nan 8.310 nan 0.000 0.497 450 V N 0.871 120.828 119.914 0.072 0.000 3.130 450 V HA 0.722 4.830 4.120 -0.020 0.000 0.310 450 V C -0.936 175.191 176.094 0.055 0.000 1.158 450 V CA -1.057 61.295 62.300 0.087 0.000 1.029 450 V CB 1.950 33.838 31.823 0.108 0.000 1.057 450 V HN 0.795 nan 8.190 nan 0.000 0.436 451 E N 1.034 121.270 120.200 0.060 0.000 2.277 451 E HA 0.726 5.064 4.350 -0.020 0.000 0.266 451 E C -0.334 176.295 176.600 0.049 0.000 0.901 451 E CA -0.956 55.471 56.400 0.044 0.000 0.782 451 E CB 2.282 32.007 29.700 0.040 0.000 1.228 451 E HN 1.222 nan 8.360 nan 0.000 0.424 452 A N 0.966 123.809 122.820 0.038 0.000 2.565 452 A HA 0.355 4.663 4.320 -0.020 0.000 0.237 452 A C 1.239 178.853 177.584 0.051 0.000 1.053 452 A CA 1.162 53.223 52.037 0.040 0.000 0.755 452 A CB -0.659 18.359 19.000 0.030 0.000 0.980 452 A HN 0.902 nan 8.150 nan 0.000 0.506 453 G N 2.049 110.887 108.800 0.063 0.000 2.241 453 G HA2 -0.206 3.742 3.960 -0.020 0.000 0.244 453 G HA3 -0.206 3.742 3.960 -0.020 0.000 0.244 453 G C 0.051 175.000 174.900 0.082 0.000 0.998 453 G CA 0.385 45.526 45.100 0.068 0.000 0.621 453 G HN 0.848 nan 8.290 nan 0.000 0.519 454 D N 0.273 120.726 120.400 0.089 0.000 2.361 454 D HA 0.483 5.111 4.640 -0.020 0.000 0.239 454 D C 0.911 177.305 176.300 0.157 0.000 1.200 454 D CA 0.226 54.286 54.000 0.100 0.000 0.915 454 D CB 0.647 41.513 40.800 0.111 0.000 1.170 454 D HN 0.342 nan 8.370 nan 0.000 0.444 455 I N 1.111 121.776 120.570 0.159 0.000 2.354 455 I HA 0.253 4.410 4.170 -0.020 0.000 0.286 455 I C -0.684 175.669 176.117 0.394 0.000 1.007 455 I CA -0.822 60.637 61.300 0.265 0.000 1.167 455 I CB 1.027 39.186 38.000 0.264 0.000 1.320 455 I HN 0.249 nan 8.210 nan 0.000 0.458 456 W N 8.618 130.061 121.300 0.239 0.000 2.496 456 W HA 0.641 5.289 4.660 -0.019 0.000 0.327 456 W C -0.350 176.303 176.519 0.223 0.000 1.086 456 W CA -0.497 56.997 57.345 0.249 0.000 1.222 456 W CB 1.053 30.643 29.460 0.217 0.000 1.304 456 W HN 0.460 nan 8.180 nan 0.000 0.547 457 R N 5.630 125.854 120.500 -0.461 0.000 2.707 457 R HA 0.737 5.065 4.340 -0.020 0.000 0.272 457 R C -1.946 173.744 176.300 -1.017 0.000 1.011 457 R CA -1.139 54.650 56.100 -0.518 0.000 0.893 457 R CB 2.059 32.129 30.300 -0.383 0.000 1.233 457 R HN 0.695 nan 8.270 nan 0.000 0.464 458 M N 2.267 121.503 119.600 -0.607 0.000 2.393 458 M HA 0.530 4.998 4.480 -0.020 0.000 0.299 458 M C -1.672 174.475 176.300 -0.254 0.000 1.103 458 M CA -0.432 54.609 55.300 -0.431 0.000 0.910 458 M CB 2.095 34.617 32.600 -0.129 0.000 1.659 458 M HN 0.861 nan 8.290 nan 0.000 0.445 459 C N 2.528 121.688 119.300 -0.233 0.000 2.562 459 C HA 0.703 5.150 4.460 -0.020 0.000 0.332 459 C C -0.796 174.128 174.990 -0.111 0.000 1.201 459 C CA -0.554 58.340 59.018 -0.206 0.000 1.803 459 C CB 2.170 29.734 27.740 -0.294 0.000 2.328 459 C HN 0.815 nan 8.230 nan 0.000 0.500 460 Q N 0.652 120.402 119.800 -0.084 0.000 2.372 460 Q HA 0.721 5.049 4.340 -0.020 0.000 0.273 460 Q C -1.132 174.865 176.000 -0.006 0.000 1.078 460 Q CA -0.393 55.398 55.803 -0.020 0.000 0.806 460 Q CB 2.303 31.034 28.738 -0.012 0.000 1.332 460 Q HN 0.859 nan 8.270 nan 0.000 0.435 461 A N 2.317 125.164 122.820 0.044 0.000 2.414 461 A HA 0.500 4.808 4.320 -0.020 0.000 0.286 461 A C -1.109 176.497 177.584 0.036 0.000 1.073 461 A CA -0.756 51.308 52.037 0.045 0.000 0.727 461 A CB 0.867 19.951 19.000 0.140 0.000 1.215 461 A HN 0.594 nan 8.150 nan 0.000 0.430 462 K N 1.146 121.555 120.400 0.016 0.000 2.118 462 K HA 0.205 4.513 4.320 -0.020 0.000 0.264 462 K C 0.336 176.962 176.600 0.043 0.000 1.000 462 K CA -0.264 56.038 56.287 0.026 0.000 0.929 462 K CB 1.384 33.892 32.500 0.012 0.000 1.021 462 K HN 0.776 nan 8.250 nan 0.000 0.463 463 D N 1.449 121.884 120.400 0.058 0.000 2.117 463 D HA -0.151 4.477 4.640 -0.020 0.000 0.198 463 D C 1.661 177.983 176.300 0.037 0.000 0.982 463 D CA 1.596 55.648 54.000 0.086 0.000 0.828 463 D CB 0.206 41.069 40.800 0.105 0.000 0.967 463 D HN 0.612 nan 8.370 nan 0.000 0.464 464 A N 0.674 123.501 122.820 0.011 0.000 1.877 464 A HA -0.063 4.245 4.320 -0.020 0.000 0.216 464 A C -0.085 177.500 177.584 0.003 0.000 1.186 464 A CA 1.362 53.390 52.037 -0.014 0.000 0.620 464 A CB -1.614 17.380 19.000 -0.010 0.000 0.822 464 A HN 0.269 nan 8.150 nan 0.000 0.443 465 P HA -0.144 nan 4.420 nan 0.000 0.215 465 P C 1.385 178.740 177.300 0.091 0.000 1.153 465 P CA 1.015 64.127 63.100 0.020 0.000 0.853 465 P CB -0.118 31.568 31.700 -0.023 0.000 0.788 466 I N -0.946 119.695 120.570 0.117 0.000 2.226 466 I HA -0.272 3.886 4.170 -0.020 0.000 0.245 466 I C 2.464 178.763 176.117 0.303 0.000 1.100 466 I CA 1.509 62.984 61.300 0.292 0.000 1.374 466 I CB -0.611 37.563 38.000 0.291 0.000 1.057 466 I HN 0.034 nan 8.210 nan 0.000 0.413 467 Q N 0.109 119.927 119.800 0.031 0.000 2.084 467 Q HA -0.256 4.072 4.340 -0.020 0.000 0.202 467 Q C 1.945 177.959 176.000 0.022 0.000 0.978 467 Q CA 1.709 57.406 55.803 -0.178 0.000 0.844 467 Q CB -0.253 28.213 28.738 -0.453 0.000 0.898 467 Q HN 0.531 nan 8.270 nan 0.000 0.426 468 D N -0.094 120.343 120.400 0.061 0.000 2.144 468 D HA -0.177 4.451 4.640 -0.020 0.000 0.199 468 D C 1.644 178.029 176.300 0.142 0.000 0.984 468 D CA 0.833 54.882 54.000 0.082 0.000 0.834 468 D CB -0.068 40.767 40.800 0.058 0.000 0.955 468 D HN 0.293 nan 8.370 nan 0.000 0.465 469 W N 1.537 122.834 121.300 -0.005 0.000 2.355 469 W HA -0.173 4.471 4.660 -0.027 0.000 0.309 469 W C 2.115 178.653 176.519 0.032 0.000 1.206 469 W CA 1.154 58.500 57.345 0.001 0.000 1.284 469 W CB -0.681 28.796 29.460 0.028 0.000 1.145 469 W HN -0.182 nan 8.180 nan 0.000 0.502 470 V N 1.510 121.444 119.914 0.034 0.000 2.358 470 V HA -0.313 3.795 4.120 -0.020 0.000 0.246 470 V C 2.528 178.489 176.094 -0.221 0.000 1.047 470 V CA 2.380 64.618 62.300 -0.104 0.000 1.035 470 V CB -1.047 30.840 31.823 0.106 0.000 0.658 470 V HN 0.233 nan 8.190 nan 0.000 0.452 471 K N -0.146 120.174 120.400 -0.133 0.000 2.063 471 K HA -0.235 4.073 4.320 -0.020 0.000 0.208 471 K C 2.168 178.629 176.600 -0.231 0.000 1.048 471 K CA 1.795 57.940 56.287 -0.238 0.000 0.928 471 K CB -0.263 32.276 32.500 0.065 0.000 0.713 471 K HN 0.332 nan 8.250 nan 0.000 0.442 472 L N 1.044 122.188 121.223 -0.132 0.000 2.046 472 L HA -0.078 4.250 4.340 -0.020 0.000 0.208 472 L C 2.210 178.966 176.870 -0.190 0.000 1.077 472 L CA 2.073 56.843 54.840 -0.116 0.000 0.747 472 L CB -0.824 41.205 42.059 -0.049 0.000 0.896 472 L HN 0.256 nan 8.230 nan 0.000 0.432 473 A N -1.195 121.450 122.820 -0.291 0.000 1.877 473 A HA -0.146 4.162 4.320 -0.020 0.000 0.216 473 A C 2.254 179.681 177.584 -0.262 0.000 1.186 473 A CA 2.014 53.841 52.037 -0.351 0.000 0.620 473 A CB -1.083 17.567 19.000 -0.583 0.000 0.822 473 A HN 0.294 nan 8.150 nan 0.000 0.443 474 V N 1.454 121.189 119.914 -0.298 0.000 2.427 474 V HA -0.247 3.860 4.120 -0.020 0.000 0.248 474 V C 2.557 178.536 176.094 -0.191 0.000 1.051 474 V CA 2.024 64.158 62.300 -0.276 0.000 1.048 474 V CB -1.035 30.474 31.823 -0.525 0.000 0.666 474 V HN 0.774 nan 8.190 nan 0.000 0.456 475 N N 0.763 119.352 118.700 -0.185 0.000 2.069 475 N HA -0.222 4.505 4.740 -0.020 0.000 0.191 475 N C 2.006 177.468 175.510 -0.080 0.000 1.031 475 N CA 1.604 54.593 53.050 -0.101 0.000 0.852 475 N CB -0.157 38.284 38.487 -0.077 0.000 1.018 475 N HN 0.263 nan 8.380 nan 0.000 0.423 476 R N 0.816 121.257 120.500 -0.098 0.000 2.075 476 R HA 0.047 4.375 4.340 -0.020 0.000 0.232 476 R C 2.208 178.463 176.300 -0.074 0.000 1.126 476 R CA 1.116 57.167 56.100 -0.082 0.000 0.963 476 R CB -1.308 28.932 30.300 -0.101 0.000 0.858 476 R HN 0.376 nan 8.270 nan 0.000 0.435 477 A N 1.085 123.852 122.820 -0.088 0.000 1.902 477 A HA -0.183 4.125 4.320 -0.020 0.000 0.217 477 A C 2.292 179.850 177.584 -0.042 0.000 1.181 477 A CA 1.680 53.679 52.037 -0.064 0.000 0.623 477 A CB -0.338 18.623 19.000 -0.065 0.000 0.818 477 A HN 0.144 nan 8.150 nan 0.000 0.443 478 R N 0.075 120.549 120.500 -0.044 0.000 2.075 478 R HA 0.058 4.386 4.340 -0.020 0.000 0.232 478 R C 2.130 178.419 176.300 -0.019 0.000 1.126 478 R CA 1.794 57.880 56.100 -0.024 0.000 0.963 478 R CB -0.843 29.446 30.300 -0.019 0.000 0.858 478 R HN 0.373 nan 8.270 nan 0.000 0.435 479 A N -0.847 121.958 122.820 -0.024 0.000 1.972 479 A HA -0.115 4.193 4.320 -0.020 0.000 0.219 479 A C 1.930 179.503 177.584 -0.017 0.000 1.169 479 A CA 1.929 53.956 52.037 -0.017 0.000 0.635 479 A CB -0.696 18.293 19.000 -0.017 0.000 0.810 479 A HN 0.576 nan 8.150 nan 0.000 0.446 480 T N -4.782 109.757 114.554 -0.024 0.000 3.054 480 T HA 0.160 4.498 4.350 -0.020 0.000 0.255 480 T C 0.563 175.251 174.700 -0.020 0.000 1.035 480 T CA 0.510 62.596 62.100 -0.023 0.000 0.941 480 T CB -0.348 68.501 68.868 -0.032 0.000 1.026 480 T HN 0.423 nan 8.240 nan 0.000 0.533 481 N N 1.231 119.920 118.700 -0.017 0.000 2.714 481 N HA -0.152 4.576 4.740 -0.020 0.000 0.252 481 N C -1.115 174.389 175.510 -0.011 0.000 1.014 481 N CA 1.069 54.112 53.050 -0.011 0.000 0.735 481 N CB -1.614 36.869 38.487 -0.007 0.000 0.924 481 N HN 0.596 nan 8.380 nan 0.000 0.540 482 T N 0.910 115.455 114.554 -0.015 0.000 2.841 482 T HA 0.520 4.858 4.350 -0.020 0.000 0.283 482 T C -2.574 172.126 174.700 0.001 0.000 1.000 482 T CA -1.158 60.935 62.100 -0.013 0.000 0.977 482 T CB 2.041 70.891 68.868 -0.030 0.000 0.979 482 T HN -0.050 nan 8.240 nan 0.000 0.446 483 P HA 0.392 nan 4.420 nan 0.000 0.266 483 P C -1.343 175.994 177.300 0.062 0.000 1.195 483 P CA -0.216 62.925 63.100 0.069 0.000 0.768 483 P CB 0.435 32.222 31.700 0.144 0.000 0.838 484 A N 2.627 125.477 122.820 0.051 0.000 2.365 484 A HA 0.676 4.984 4.320 -0.020 0.000 0.318 484 A C -1.093 176.533 177.584 0.070 0.000 1.091 484 A CA -0.579 51.465 52.037 0.012 0.000 0.763 484 A CB 1.215 20.164 19.000 -0.085 0.000 1.248 484 A HN 0.323 nan 8.150 nan 0.000 0.442 485 V N 1.903 121.876 119.914 0.099 0.000 2.531 485 V HA 0.419 4.526 4.120 -0.020 0.000 0.301 485 V C -1.210 175.045 176.094 0.268 0.000 1.034 485 V CA -0.339 62.079 62.300 0.197 0.000 0.865 485 V CB 1.374 33.339 31.823 0.237 0.000 0.995 485 V HN 0.743 nan 8.190 nan 0.000 0.424 486 F N 3.255 123.308 119.950 0.171 0.000 2.420 486 F HA 0.413 4.932 4.527 -0.014 0.000 0.352 486 F C -0.205 175.829 175.800 0.390 0.000 1.108 486 F CA -0.279 57.860 58.000 0.231 0.000 1.162 486 F CB 1.035 40.078 39.000 0.072 0.000 1.118 486 F HN 0.483 nan 8.300 nan 0.000 0.510 487 W N 6.751 128.203 121.300 0.253 0.000 2.318 487 W HA 0.580 5.237 4.660 -0.005 0.000 0.362 487 W C -1.039 175.626 176.519 0.243 0.000 0.978 487 W CA -0.893 56.577 57.345 0.209 0.000 1.509 487 W CB -0.017 29.547 29.460 0.173 0.000 1.437 487 W HN 0.190 nan 8.180 nan 0.000 0.361 488 L N 2.857 124.300 121.223 0.367 0.000 2.436 488 L HA 0.301 4.628 4.340 -0.020 0.000 0.268 488 L C -0.397 176.579 176.870 0.177 0.000 0.974 488 L CA -0.880 54.129 54.840 0.280 0.000 0.826 488 L CB 2.266 44.479 42.059 0.257 0.000 1.291 488 L HN -0.058 nan 8.230 nan 0.000 0.406 489 D N 4.299 124.800 120.400 0.169 0.000 2.359 489 D HA 0.265 4.893 4.640 -0.020 0.000 0.230 489 D C -1.850 174.497 176.300 0.079 0.000 1.118 489 D CA -2.022 52.056 54.000 0.129 0.000 0.844 489 D CB 2.027 42.938 40.800 0.185 0.000 1.059 489 D HN 0.155 nan 8.370 nan 0.000 0.493 490 P HA -0.091 nan 4.420 nan 0.000 0.221 490 P C 0.775 178.076 177.300 0.002 0.000 1.145 490 P CA 0.922 64.032 63.100 0.018 0.000 0.795 490 P CB 0.301 32.006 31.700 0.008 0.000 0.775 491 A N -1.022 121.804 122.820 0.010 0.000 2.119 491 A HA -0.033 4.274 4.320 -0.020 0.000 0.216 491 A C 1.277 178.786 177.584 -0.126 0.000 1.152 491 A CA 0.475 52.492 52.037 -0.034 0.000 0.708 491 A CB -0.545 18.463 19.000 0.014 0.000 0.805 491 A HN 0.107 nan 8.150 nan 0.000 0.460 492 R N -0.444 119.996 120.500 -0.100 0.000 2.265 492 R HA 0.436 4.764 4.340 -0.020 0.000 0.314 492 R C 1.254 177.520 176.300 -0.056 0.000 1.053 492 R CA 0.220 56.235 56.100 -0.142 0.000 0.931 492 R CB 1.004 31.276 30.300 -0.047 0.000 1.024 492 R HN 0.278 nan 8.270 nan 0.000 0.457 493 A N 2.630 125.413 122.820 -0.062 0.000 1.940 493 A HA -0.266 4.042 4.320 -0.020 0.000 0.219 493 A C 1.912 179.504 177.584 0.014 0.000 1.176 493 A CA 1.882 53.905 52.037 -0.024 0.000 0.631 493 A CB -0.555 18.433 19.000 -0.021 0.000 0.814 493 A HN 0.922 nan 8.150 nan 0.000 0.446 494 H N 0.133 119.175 119.070 -0.048 0.000 2.270 494 H HA -0.118 4.425 4.556 -0.021 0.000 0.299 494 H C 1.595 176.925 175.328 0.004 0.000 1.077 494 H CA 2.137 58.169 56.048 -0.026 0.000 1.294 494 H CB -0.294 29.447 29.762 -0.035 0.000 1.371 494 H HN 0.396 nan 8.280 nan 0.000 0.491 495 D N 0.257 120.660 120.400 0.004 0.000 2.158 495 D HA -0.174 4.454 4.640 -0.020 0.000 0.197 495 D C 2.209 178.482 176.300 -0.045 0.000 0.995 495 D CA 1.495 55.490 54.000 -0.008 0.000 0.846 495 D CB -0.703 40.164 40.800 0.113 0.000 0.941 495 D HN 0.580 nan 8.370 nan 0.000 0.456 496 A N 0.569 123.366 122.820 -0.038 0.000 1.908 496 A HA -0.224 4.084 4.320 -0.020 0.000 0.218 496 A C 2.087 179.632 177.584 -0.065 0.000 1.181 496 A CA 1.300 53.313 52.037 -0.040 0.000 0.627 496 A CB -0.392 18.588 19.000 -0.034 0.000 0.818 496 A HN 0.104 nan 8.150 nan 0.000 0.445 497 Q N -0.377 119.365 119.800 -0.096 0.000 2.119 497 Q HA -0.084 4.244 4.340 -0.020 0.000 0.201 497 Q C 2.311 178.248 176.000 -0.105 0.000 0.972 497 Q CA 1.541 57.284 55.803 -0.099 0.000 0.847 497 Q CB -0.584 28.090 28.738 -0.107 0.000 0.903 497 Q HN 0.517 nan 8.270 nan 0.000 0.433 498 V N 1.077 120.901 119.914 -0.150 0.000 2.427 498 V HA -0.210 3.898 4.120 -0.020 0.000 0.248 498 V C 2.303 178.407 176.094 0.015 0.000 1.051 498 V CA 1.164 63.433 62.300 -0.052 0.000 1.048 498 V CB -0.489 31.300 31.823 -0.058 0.000 0.666 498 V HN 0.257 nan 8.190 nan 0.000 0.456 499 I N 0.593 121.153 120.570 -0.018 0.000 2.226 499 I HA -0.253 3.905 4.170 -0.020 0.000 0.245 499 I C 2.685 178.743 176.117 -0.097 0.000 1.100 499 I CA 1.474 62.744 61.300 -0.049 0.000 1.374 499 I CB -0.561 37.416 38.000 -0.037 0.000 1.057 499 I HN 0.301 nan 8.210 nan 0.000 0.413 500 A N 0.850 123.615 122.820 -0.091 0.000 1.883 500 A HA -0.240 4.068 4.320 -0.020 0.000 0.217 500 A C 2.329 179.804 177.584 -0.182 0.000 1.186 500 A CA 1.741 53.706 52.037 -0.119 0.000 0.624 500 A CB -0.449 18.492 19.000 -0.097 0.000 0.822 500 A HN 0.322 nan 8.150 nan 0.000 0.444 501 K N -0.598 119.704 120.400 -0.164 0.000 2.057 501 K HA -0.047 4.261 4.320 -0.020 0.000 0.206 501 K C 1.888 178.319 176.600 -0.282 0.000 1.050 501 K CA 1.342 57.461 56.287 -0.281 0.000 0.935 501 K CB -0.354 32.149 32.500 0.005 0.000 0.715 501 K HN 0.289 nan 8.250 nan 0.000 0.439 502 V N 2.019 121.867 119.914 -0.110 0.000 2.343 502 V HA -0.241 3.867 4.120 -0.020 0.000 0.247 502 V C 1.910 177.848 176.094 -0.260 0.000 1.051 502 V CA 1.794 63.977 62.300 -0.195 0.000 1.036 502 V CB -0.426 31.129 31.823 -0.446 0.000 0.654 502 V HN 0.344 nan 8.190 nan 0.000 0.451 503 E N -0.365 119.690 120.200 -0.243 0.000 2.110 503 E HA -0.219 4.118 4.350 -0.020 0.000 0.193 503 E C 2.446 178.945 176.600 -0.168 0.000 0.988 503 E CA 0.919 57.202 56.400 -0.196 0.000 0.804 503 E CB -0.161 29.443 29.700 -0.160 0.000 0.745 503 E HN 0.414 nan 8.360 nan 0.000 0.458 504 R N 0.375 120.726 120.500 -0.247 0.000 2.062 504 R HA -0.092 4.236 4.340 -0.020 0.000 0.226 504 R C 1.949 178.156 176.300 -0.156 0.000 1.125 504 R CA 1.140 57.081 56.100 -0.265 0.000 0.966 504 R CB -0.191 29.842 30.300 -0.446 0.000 0.861 504 R HN 0.303 nan 8.270 nan 0.000 0.433 505 Y N 0.630 120.933 120.300 0.006 0.000 2.352 505 Y HA -0.131 4.407 4.550 -0.020 0.000 0.292 505 Y C 2.282 178.274 175.900 0.153 0.000 1.136 505 Y CA 0.250 58.393 58.100 0.070 0.000 1.227 505 Y CB -0.008 38.518 38.460 0.109 0.000 0.991 505 Y HN 0.060 nan 8.280 nan 0.000 0.545 506 L N 0.185 121.524 121.223 0.193 0.000 2.191 506 L HA -0.221 4.107 4.340 -0.020 0.000 0.212 506 L C 1.944 178.936 176.870 0.203 0.000 1.103 506 L CA 1.332 56.286 54.840 0.190 0.000 0.769 506 L CB -0.333 41.728 42.059 0.003 0.000 0.908 506 L HN 0.195 nan 8.230 nan 0.000 0.438 507 K N -0.385 120.075 120.400 0.101 0.000 2.504 507 K HA -0.100 4.207 4.320 -0.020 0.000 0.195 507 K C 0.757 177.370 176.600 0.021 0.000 1.036 507 K CA 0.522 56.839 56.287 0.049 0.000 0.984 507 K CB -0.008 32.494 32.500 0.004 0.000 0.788 507 K HN 0.271 nan 8.250 nan 0.000 0.488 508 D N -0.350 120.052 120.400 0.004 0.000 2.349 508 D HA 0.002 4.630 4.640 -0.020 0.000 0.224 508 D C -0.344 175.641 176.300 -0.524 0.000 1.029 508 D CA 0.703 54.550 54.000 -0.253 0.000 0.879 508 D CB 0.200 40.793 40.800 -0.345 0.000 0.906 508 D HN 0.104 nan 8.370 nan 0.000 0.528 509 Y N -0.196 120.117 120.300 0.023 0.000 2.570 509 Y HA 0.260 4.799 4.550 -0.018 0.000 0.345 509 Y C 0.055 175.960 175.900 0.008 0.000 1.014 509 Y CA -1.615 56.493 58.100 0.014 0.000 1.063 509 Y CB 1.119 39.588 38.460 0.014 0.000 1.272 509 Y HN -0.355 nan 8.280 nan 0.000 0.477 510 D N 0.701 121.202 120.400 0.168 0.000 2.365 510 D HA 0.147 4.775 4.640 -0.020 0.000 0.237 510 D C 0.400 176.758 176.300 0.096 0.000 1.190 510 D CA -0.116 53.940 54.000 0.094 0.000 0.867 510 D CB 0.605 41.443 40.800 0.063 0.000 1.050 510 D HN 0.649 nan 8.370 nan 0.000 0.491 511 T N -0.204 114.396 114.554 0.077 0.000 3.174 511 T HA 0.074 4.412 4.350 -0.020 0.000 0.269 511 T C 1.643 176.362 174.700 0.032 0.000 1.017 511 T CA 0.230 62.361 62.100 0.052 0.000 0.899 511 T CB -0.257 68.642 68.868 0.052 0.000 1.077 511 T HN 0.225 nan 8.240 nan 0.000 0.552 512 S N 2.040 117.758 115.700 0.030 0.000 2.380 512 S HA -0.113 4.345 4.470 -0.020 0.000 0.229 512 S C 2.142 176.752 174.600 0.016 0.000 1.050 512 S CA 1.560 59.772 58.200 0.020 0.000 1.100 512 S CB -1.440 61.770 63.200 0.018 0.000 0.984 512 S HN 0.672 nan 8.310 nan 0.000 0.434 513 G N 1.199 110.008 108.800 0.016 0.000 3.181 513 G HA2 0.473 4.421 3.960 -0.020 0.000 0.219 513 G HA3 0.473 4.421 3.960 -0.020 0.000 0.219 513 G C 0.255 175.163 174.900 0.012 0.000 1.182 513 G CA -0.373 44.734 45.100 0.012 0.000 0.791 513 G HN 0.429 nan 8.290 nan 0.000 0.537 514 L N -0.372 120.860 121.223 0.014 0.000 2.387 514 L HA 0.455 4.783 4.340 -0.020 0.000 0.266 514 L C -0.617 176.264 176.870 0.018 0.000 1.059 514 L CA -0.963 53.885 54.840 0.013 0.000 0.801 514 L CB 1.657 43.721 42.059 0.010 0.000 1.223 514 L HN -0.103 nan 8.230 nan 0.000 0.456 515 D N 2.342 122.756 120.400 0.024 0.000 2.462 515 D HA 0.440 5.067 4.640 -0.020 0.000 0.249 515 D C -0.951 175.371 176.300 0.038 0.000 1.117 515 D CA -0.166 53.853 54.000 0.033 0.000 0.900 515 D CB 0.635 41.467 40.800 0.052 0.000 1.039 515 D HN 0.271 nan 8.370 nan 0.000 0.516 516 I N 3.942 124.531 120.570 0.032 0.000 2.465 516 I HA 0.483 4.641 4.170 -0.020 0.000 0.291 516 I C 0.277 176.417 176.117 0.037 0.000 1.014 516 I CA -0.828 60.508 61.300 0.060 0.000 1.093 516 I CB 1.792 39.841 38.000 0.081 0.000 1.267 516 I HN 0.238 nan 8.210 nan 0.000 0.431 517 R N 6.015 126.550 120.500 0.058 0.000 2.817 517 R HA 0.775 5.103 4.340 -0.020 0.000 0.268 517 R C -1.876 174.466 176.300 0.069 0.000 1.027 517 R CA -0.921 55.175 56.100 -0.006 0.000 0.928 517 R CB 2.018 32.241 30.300 -0.129 0.000 1.228 517 R HN 0.474 nan 8.270 nan 0.000 0.469 518 I N 2.066 122.636 120.570 0.001 0.000 2.436 518 I HA 0.441 4.599 4.170 -0.020 0.000 0.289 518 I C -0.775 175.333 176.117 -0.015 0.000 1.010 518 I CA -0.911 60.419 61.300 0.050 0.000 1.098 518 I CB 1.803 39.795 38.000 -0.014 0.000 1.266 518 I HN 0.370 nan 8.210 nan 0.000 0.434 519 L N 4.351 125.571 121.223 -0.005 0.000 2.393 519 L HA 0.453 4.781 4.340 -0.020 0.000 0.260 519 L C 0.189 177.029 176.870 -0.050 0.000 1.002 519 L CA -0.752 54.037 54.840 -0.084 0.000 0.818 519 L CB 2.552 44.490 42.059 -0.203 0.000 1.369 519 L HN 0.657 nan 8.230 nan 0.000 0.412 520 S N 0.416 116.088 115.700 -0.046 0.000 2.584 520 S HA 0.202 4.660 4.470 -0.020 0.000 0.270 520 S C -2.043 172.509 174.600 -0.079 0.000 1.346 520 S CA -0.810 57.392 58.200 0.002 0.000 1.018 520 S CB 0.809 64.016 63.200 0.012 0.000 0.899 520 S HN 0.428 nan 8.310 nan 0.000 0.542 521 P HA -0.145 nan 4.420 nan 0.000 0.216 521 P C 1.570 178.745 177.300 -0.207 0.000 1.157 521 P CA 0.956 64.065 63.100 0.016 0.000 0.880 521 P CB -0.133 31.733 31.700 0.277 0.000 0.791 522 V N -0.050 119.812 119.914 -0.087 0.000 2.295 522 V HA -0.255 3.853 4.120 -0.020 0.000 0.246 522 V C 2.245 178.261 176.094 -0.131 0.000 1.049 522 V CA 1.927 64.179 62.300 -0.080 0.000 1.024 522 V CB -1.211 30.595 31.823 -0.029 0.000 0.648 522 V HN 0.200 nan 8.190 nan 0.000 0.447 523 E N 0.316 120.434 120.200 -0.137 0.000 2.106 523 E HA -0.161 4.177 4.350 -0.020 0.000 0.192 523 E C 2.314 178.795 176.600 -0.199 0.000 0.984 523 E CA 1.213 57.540 56.400 -0.122 0.000 0.806 523 E CB -0.339 29.297 29.700 -0.107 0.000 0.750 523 E HN 0.599 nan 8.360 nan 0.000 0.458 524 A N 0.993 123.546 122.820 -0.445 0.000 1.933 524 A HA -0.171 4.136 4.320 -0.020 0.000 0.218 524 A C 2.358 179.544 177.584 -0.663 0.000 1.175 524 A CA 1.812 53.399 52.037 -0.750 0.000 0.628 524 A CB -0.783 17.171 19.000 -1.743 0.000 0.814 524 A HN 0.166 nan 8.150 nan 0.000 0.444 525 T N -0.392 113.762 114.554 -0.665 0.000 2.737 525 T HA -0.116 4.222 4.350 -0.020 0.000 0.265 525 T C 2.084 176.798 174.700 0.023 0.000 1.038 525 T CA 1.390 63.372 62.100 -0.195 0.000 1.144 525 T CB -0.229 68.618 68.868 -0.035 0.000 0.866 525 T HN 0.480 nan 8.240 nan 0.000 0.434 526 R N -0.033 120.468 120.500 0.002 0.000 2.081 526 R HA -0.048 4.280 4.340 -0.020 0.000 0.235 526 R C 2.251 178.606 176.300 0.091 0.000 1.131 526 R CA 1.381 57.519 56.100 0.063 0.000 0.960 526 R CB -0.603 29.729 30.300 0.052 0.000 0.856 526 R HN 0.356 nan 8.270 nan 0.000 0.436 527 F N 1.560 121.473 119.950 -0.062 0.000 2.095 527 F HA -0.204 4.310 4.527 -0.022 0.000 0.298 527 F C 2.264 178.056 175.800 -0.013 0.000 1.104 527 F CA 1.642 59.615 58.000 -0.045 0.000 1.232 527 F CB -0.235 38.719 39.000 -0.078 0.000 0.987 527 F HN -0.136 nan 8.300 nan 0.000 0.475 528 S N 0.745 116.462 115.700 0.029 0.000 2.383 528 S HA -0.104 4.353 4.470 -0.020 0.000 0.227 528 S C 2.125 176.706 174.600 -0.031 0.000 1.026 528 S CA 1.317 59.498 58.200 -0.032 0.000 0.981 528 S CB -0.486 62.816 63.200 0.169 0.000 0.818 528 S HN 0.371 nan 8.310 nan 0.000 0.472 529 L N 1.018 122.295 121.223 0.089 0.000 2.141 529 L HA -0.056 4.272 4.340 -0.020 0.000 0.209 529 L C 2.773 179.665 176.870 0.037 0.000 1.094 529 L CA 1.001 55.933 54.840 0.154 0.000 0.763 529 L CB -0.705 41.502 42.059 0.247 0.000 0.908 529 L HN 0.318 nan 8.230 nan 0.000 0.437 530 A N 0.368 123.154 122.820 -0.056 0.000 1.877 530 A HA -0.197 4.111 4.320 -0.020 0.000 0.216 530 A C 2.399 179.885 177.584 -0.163 0.000 1.186 530 A CA 1.418 53.384 52.037 -0.120 0.000 0.620 530 A CB -0.409 18.514 19.000 -0.127 0.000 0.822 530 A HN 0.300 nan 8.150 nan 0.000 0.443 531 R N -0.938 119.411 120.500 -0.252 0.000 2.075 531 R HA 0.030 4.358 4.340 -0.020 0.000 0.232 531 R C 2.115 178.329 176.300 -0.144 0.000 1.126 531 R CA 1.372 57.323 56.100 -0.248 0.000 0.963 531 R CB -0.444 29.631 30.300 -0.375 0.000 0.858 531 R HN 0.600 nan 8.270 nan 0.000 0.435 532 I N 0.920 121.426 120.570 -0.107 0.000 2.286 532 I HA -0.299 3.859 4.170 -0.020 0.000 0.248 532 I C 2.050 178.167 176.117 0.000 0.000 1.115 532 I CA 1.420 62.686 61.300 -0.058 0.000 1.392 532 I CB 0.038 38.012 38.000 -0.042 0.000 1.065 532 I HN 0.146 nan 8.210 nan 0.000 0.418 533 R N 0.496 121.011 120.500 0.025 0.000 2.189 533 R HA -0.135 4.193 4.340 -0.020 0.000 0.218 533 R C 1.371 177.656 176.300 -0.024 0.000 1.074 533 R CA 1.259 57.377 56.100 0.030 0.000 0.991 533 R CB -0.150 30.137 30.300 -0.022 0.000 0.883 533 R HN 0.596 nan 8.270 nan 0.000 0.457 534 E N -0.398 119.770 120.200 -0.054 0.000 2.444 534 E HA 0.128 4.465 4.350 -0.020 0.000 0.191 534 E C 0.562 177.135 176.600 -0.045 0.000 1.041 534 E CA 0.353 56.720 56.400 -0.055 0.000 0.883 534 E CB 0.561 30.218 29.700 -0.072 0.000 1.024 534 E HN 0.241 nan 8.360 nan 0.000 0.470 535 G N 1.511 110.289 108.800 -0.037 0.000 2.143 535 G HA2 -0.302 3.646 3.960 -0.020 0.000 0.248 535 G HA3 -0.302 3.646 3.960 -0.020 0.000 0.248 535 G C -0.076 174.795 174.900 -0.049 0.000 0.991 535 G CA 0.372 45.452 45.100 -0.033 0.000 0.689 535 G HN 0.274 nan 8.290 nan 0.000 0.522 536 K N 0.303 120.660 120.400 -0.071 0.000 2.123 536 K HA 0.549 4.856 4.320 -0.020 0.000 0.248 536 K C -0.759 175.781 176.600 -0.101 0.000 0.969 536 K CA -0.932 55.305 56.287 -0.083 0.000 0.882 536 K CB 1.062 33.501 32.500 -0.101 0.000 1.080 536 K HN 0.082 nan 8.250 nan 0.000 0.441 537 D N 0.900 121.245 120.400 -0.091 0.000 2.217 537 D HA 0.369 4.997 4.640 -0.020 0.000 0.248 537 D C -0.685 175.555 176.300 -0.100 0.000 1.008 537 D CA -0.154 53.783 54.000 -0.105 0.000 0.914 537 D CB 1.864 42.615 40.800 -0.082 0.000 1.182 537 D HN 0.336 nan 8.370 nan 0.000 0.451 538 T N 0.635 115.120 114.554 -0.116 0.000 3.071 538 T HA 0.400 4.738 4.350 -0.020 0.000 0.311 538 T C 0.160 174.821 174.700 -0.065 0.000 1.042 538 T CA -0.561 61.509 62.100 -0.050 0.000 1.028 538 T CB 0.887 69.741 68.868 -0.023 0.000 1.068 538 T HN 0.158 nan 8.240 nan 0.000 0.451 539 I N 3.265 123.816 120.570 -0.032 0.000 2.371 539 I HA 0.308 4.465 4.170 -0.020 0.000 0.290 539 I C 0.834 176.927 176.117 -0.040 0.000 1.028 539 I CA -0.377 60.877 61.300 -0.078 0.000 1.345 539 I CB 1.062 39.000 38.000 -0.103 0.000 1.407 539 I HN 0.682 nan 8.210 nan 0.000 0.501 540 S N 6.120 121.756 115.700 -0.106 0.000 2.457 540 S HA 0.590 5.048 4.470 -0.020 0.000 0.289 540 S C -0.547 173.884 174.600 -0.280 0.000 1.163 540 S CA -0.746 57.362 58.200 -0.153 0.000 1.078 540 S CB 1.398 64.332 63.200 -0.445 0.000 0.987 540 S HN 0.319 nan 8.310 nan 0.000 0.482 541 V N 3.972 123.714 119.914 -0.286 0.000 2.350 541 V HA 0.696 4.804 4.120 -0.020 0.000 0.285 541 V C 0.464 176.546 176.094 -0.019 0.000 1.014 541 V CA -0.259 61.814 62.300 -0.377 0.000 0.831 541 V CB 0.575 31.699 31.823 -1.164 0.000 1.000 541 V HN 1.169 nan 8.190 nan 0.000 0.433 542 T N 1.591 116.259 114.554 0.191 0.000 2.804 542 T HA 0.789 5.127 4.350 -0.020 0.000 0.290 542 T C 0.343 175.086 174.700 0.072 0.000 1.099 542 T CA -0.135 62.084 62.100 0.198 0.000 1.011 542 T CB 1.715 70.466 68.868 -0.194 0.000 1.291 542 T HN 0.779 nan 8.240 nan 0.000 0.523 543 G N 0.229 108.988 108.800 -0.069 0.000 2.621 543 G HA2 0.230 4.178 3.960 -0.020 0.000 0.271 543 G HA3 0.230 4.178 3.960 -0.020 0.000 0.271 543 G C 0.764 175.484 174.900 -0.301 0.000 1.236 543 G CA -0.473 44.469 45.100 -0.264 0.000 0.958 543 G HN 0.741 nan 8.290 nan 0.000 0.512 544 N N -1.201 117.306 118.700 -0.322 0.000 2.069 544 N HA -0.156 4.572 4.740 -0.020 0.000 0.191 544 N C 2.434 177.749 175.510 -0.325 0.000 1.031 544 N CA 1.367 54.191 53.050 -0.376 0.000 0.852 544 N CB -0.383 37.878 38.487 -0.377 0.000 1.018 544 N HN 0.180 nan 8.380 nan 0.000 0.423 545 V N 1.314 121.047 119.914 -0.301 0.000 2.358 545 V HA -0.145 3.963 4.120 -0.020 0.000 0.246 545 V C 2.444 178.016 176.094 -0.871 0.000 1.047 545 V CA 1.053 63.015 62.300 -0.562 0.000 1.035 545 V CB -0.397 30.871 31.823 -0.924 0.000 0.658 545 V HN 0.282 nan 8.190 nan 0.000 0.452 546 L N -0.156 120.615 121.223 -0.753 0.000 2.201 546 L HA -0.161 4.167 4.340 -0.020 0.000 0.212 546 L C 2.732 179.384 176.870 -0.364 0.000 1.105 546 L CA 1.511 56.017 54.840 -0.557 0.000 0.775 546 L CB -0.563 41.287 42.059 -0.348 0.000 0.913 546 L HN 0.332 nan 8.230 nan 0.000 0.440 547 R N 0.489 120.800 120.500 -0.315 0.000 2.080 547 R HA -0.247 4.080 4.340 -0.020 0.000 0.236 547 R C 1.937 178.151 176.300 -0.144 0.000 1.137 547 R CA 2.349 58.315 56.100 -0.223 0.000 0.943 547 R CB -0.360 29.800 30.300 -0.233 0.000 0.846 547 R HN 0.266 nan 8.270 nan 0.000 0.431 548 D N -0.382 119.938 120.400 -0.133 0.000 2.092 548 D HA -0.204 4.424 4.640 -0.020 0.000 0.193 548 D C 1.883 178.295 176.300 0.187 0.000 0.994 548 D CA 1.728 55.751 54.000 0.038 0.000 0.828 548 D CB -0.339 40.546 40.800 0.142 0.000 0.963 548 D HN 0.461 nan 8.370 nan 0.000 0.450 549 Y N -0.006 120.252 120.300 -0.070 0.000 2.133 549 Y HA -0.109 4.423 4.550 -0.031 0.000 0.287 549 Y C 2.507 178.369 175.900 -0.063 0.000 1.134 549 Y CA 0.240 58.320 58.100 -0.033 0.000 1.133 549 Y CB -0.102 38.293 38.460 -0.109 0.000 0.987 549 Y HN -0.009 nan 8.280 nan 0.000 0.502 550 L N -0.112 121.136 121.223 0.043 0.000 2.201 550 L HA -0.142 4.186 4.340 -0.020 0.000 0.212 550 L C 2.301 179.222 176.870 0.085 0.000 1.105 550 L CA 1.582 56.433 54.840 0.018 0.000 0.775 550 L CB -0.852 41.156 42.059 -0.086 0.000 0.913 550 L HN 0.340 nan 8.230 nan 0.000 0.440 551 T N -5.319 109.258 114.554 0.039 0.000 3.148 551 T HA -0.085 4.253 4.350 -0.020 0.000 0.253 551 T C 1.281 176.006 174.700 0.041 0.000 1.134 551 T CA 0.439 62.562 62.100 0.037 0.000 1.051 551 T CB 0.078 68.945 68.868 -0.002 0.000 0.959 551 T HN 0.301 nan 8.240 nan 0.000 0.525 552 D N 0.138 120.567 120.400 0.048 0.000 2.615 552 D HA 0.057 4.685 4.640 -0.020 0.000 0.259 552 D C 1.863 178.167 176.300 0.007 0.000 0.999 552 D CA 0.115 54.134 54.000 0.033 0.000 0.938 552 D CB 0.209 41.040 40.800 0.051 0.000 1.121 552 D HN 0.284 nan 8.370 nan 0.000 0.487 553 L N 0.786 121.997 121.223 -0.019 0.000 1.956 553 L HA -0.168 4.160 4.340 -0.020 0.000 0.216 553 L C 2.235 178.963 176.870 -0.236 0.000 1.073 553 L CA 1.893 56.646 54.840 -0.144 0.000 0.762 553 L CB -1.107 40.786 42.059 -0.276 0.000 0.889 553 L HN -0.002 nan 8.230 nan 0.000 0.433 554 F N -0.592 119.338 119.950 -0.033 0.000 2.146 554 F HA -0.074 4.433 4.527 -0.033 0.000 0.298 554 F C -0.252 175.504 175.800 -0.074 0.000 1.096 554 F CA 1.348 59.298 58.000 -0.083 0.000 1.275 554 F CB -1.776 37.172 39.000 -0.086 0.000 1.008 554 F HN 0.201 nan 8.300 nan 0.000 0.480 555 P HA -0.172 nan 4.420 nan 0.000 0.217 555 P C 1.846 179.133 177.300 -0.022 0.000 1.150 555 P CA 1.239 64.357 63.100 0.031 0.000 0.832 555 P CB 0.033 31.741 31.700 0.013 0.000 0.787 556 I N -1.505 119.050 120.570 -0.025 0.000 2.179 556 I HA -0.191 3.966 4.170 -0.020 0.000 0.242 556 I C 2.036 178.144 176.117 -0.015 0.000 1.088 556 I CA 1.791 63.064 61.300 -0.044 0.000 1.357 556 I CB -1.108 36.886 38.000 -0.011 0.000 1.051 556 I HN 0.030 nan 8.210 nan 0.000 0.409 557 M N 0.026 119.639 119.600 0.021 0.000 2.132 557 M HA -0.140 4.328 4.480 -0.020 0.000 0.263 557 M C 2.081 178.497 176.300 0.193 0.000 1.065 557 M CA 1.501 56.861 55.300 0.100 0.000 1.122 557 M CB -1.225 31.282 32.600 -0.155 0.000 1.365 557 M HN 0.271 nan 8.290 nan 0.000 0.411 558 E N -0.206 120.055 120.200 0.101 0.000 2.158 558 E HA -0.001 4.337 4.350 -0.020 0.000 0.191 558 E C 1.734 178.445 176.600 0.186 0.000 0.982 558 E CA 0.772 57.259 56.400 0.145 0.000 0.823 558 E CB 0.206 29.953 29.700 0.078 0.000 0.766 558 E HN 0.443 nan 8.360 nan 0.000 0.468 559 L N -1.792 119.397 121.223 -0.056 0.000 2.878 559 L HA 0.363 4.691 4.340 -0.020 0.000 0.253 559 L C 1.320 177.786 176.870 -0.673 0.000 1.135 559 L CA 0.217 54.941 54.840 -0.194 0.000 0.943 559 L CB 0.852 42.869 42.059 -0.069 0.000 1.307 559 L HN 0.204 nan 8.230 nan 0.000 0.545 560 G N 0.876 109.100 108.800 -0.960 0.000 2.162 560 G HA2 -0.284 3.664 3.960 -0.020 0.000 0.260 560 G HA3 -0.284 3.664 3.960 -0.020 0.000 0.260 560 G C 0.290 175.037 174.900 -0.257 0.000 0.976 560 G CA 0.620 45.276 45.100 -0.739 0.000 0.655 560 G HN 0.399 nan 8.290 nan 0.000 0.533 561 T N -1.563 112.875 114.554 -0.193 0.000 2.957 561 T HA 0.584 4.922 4.350 -0.020 0.000 0.336 561 T C 0.559 175.211 174.700 -0.079 0.000 1.462 561 T CA 0.896 62.934 62.100 -0.104 0.000 1.073 561 T CB 1.068 69.880 68.868 -0.093 0.000 1.319 561 T HN 1.160 nan 8.240 nan 0.000 0.485 562 S N 1.446 117.111 115.700 -0.058 0.000 2.602 562 S HA 0.472 4.930 4.470 -0.020 0.000 0.240 562 S C 1.246 175.812 174.600 -0.057 0.000 0.992 562 S CA 0.152 58.326 58.200 -0.042 0.000 0.971 562 S CB 0.473 63.661 63.200 -0.019 0.000 0.855 562 S HN 0.927 nan 8.310 nan 0.000 0.481 563 A N 1.361 124.129 122.820 -0.087 0.000 2.387 563 A HA 0.406 4.714 4.320 -0.020 0.000 0.234 563 A C 0.503 177.998 177.584 -0.147 0.000 1.253 563 A CA -0.342 51.616 52.037 -0.131 0.000 0.894 563 A CB 0.049 18.936 19.000 -0.188 0.000 0.963 563 A HN 0.379 nan 8.150 nan 0.000 0.508 564 K N 1.266 121.602 120.400 -0.107 0.000 2.679 564 K HA 0.539 4.847 4.320 -0.020 0.000 0.188 564 K C -0.713 175.848 176.600 -0.065 0.000 1.055 564 K CA 0.018 56.244 56.287 -0.102 0.000 1.006 564 K CB 0.469 32.912 32.500 -0.094 0.000 1.317 564 K HN 0.669 nan 8.250 nan 0.000 0.584 565 M N -1.142 118.423 119.600 -0.059 0.000 3.196 565 M HA 0.398 4.865 4.480 -0.020 0.000 0.279 565 M C -1.831 174.457 176.300 -0.020 0.000 1.173 565 M CA -1.128 54.152 55.300 -0.034 0.000 0.820 565 M CB 1.004 33.589 32.600 -0.025 0.000 1.621 565 M HN 0.027 nan 8.290 nan 0.000 0.521 566 L N 1.458 122.678 121.223 -0.006 0.000 2.326 566 L HA 0.570 4.897 4.340 -0.020 0.000 0.278 566 L C 0.107 176.985 176.870 0.013 0.000 1.092 566 L CA -0.384 54.467 54.840 0.018 0.000 0.810 566 L CB 1.653 43.730 42.059 0.028 0.000 1.153 566 L HN 0.817 nan 8.230 nan 0.000 0.439 567 S N 4.295 120.011 115.700 0.027 0.000 2.216 567 S HA 0.492 4.950 4.470 -0.020 0.000 0.156 567 S C -0.506 174.090 174.600 -0.007 0.000 1.665 567 S CA -0.541 57.657 58.200 -0.004 0.000 1.262 567 S CB -0.090 63.101 63.200 -0.016 0.000 1.207 567 S HN 0.414 nan 8.310 nan 0.000 0.427 568 I N 3.033 123.600 120.570 -0.006 0.000 2.395 568 I HA 0.375 4.533 4.170 -0.020 0.000 0.289 568 I C -0.403 175.617 176.117 -0.162 0.000 1.023 568 I CA -0.645 60.616 61.300 -0.064 0.000 1.350 568 I CB 1.671 39.696 38.000 0.041 0.000 1.409 568 I HN 0.183 nan 8.210 nan 0.000 0.507 569 V N 8.216 127.945 119.914 -0.309 0.000 2.305 569 V HA 0.259 4.367 4.120 -0.020 0.000 0.275 569 V C -2.385 173.541 176.094 -0.279 0.000 1.020 569 V CA -1.639 60.512 62.300 -0.249 0.000 0.811 569 V CB 1.120 32.803 31.823 -0.234 0.000 1.031 569 V HN 0.574 nan 8.190 nan 0.000 0.439 570 P HA 0.250 nan 4.420 nan 0.000 0.273 570 P C 0.006 177.251 177.300 -0.092 0.000 1.428 570 P CA -0.124 62.908 63.100 -0.113 0.000 0.995 570 P CB 0.275 31.952 31.700 -0.038 0.000 1.286 571 L N 3.140 124.293 121.223 -0.117 0.000 2.525 571 L HA 0.047 4.375 4.340 -0.020 0.000 0.278 571 L C 2.067 178.916 176.870 -0.035 0.000 1.218 571 L CA 0.186 54.977 54.840 -0.081 0.000 0.878 571 L CB 0.105 42.113 42.059 -0.086 0.000 1.127 571 L HN 0.400 nan 8.230 nan 0.000 0.492 572 M N 1.000 120.582 119.600 -0.029 0.000 2.358 572 M HA -0.154 4.314 4.480 -0.020 0.000 0.264 572 M C 1.796 178.093 176.300 -0.004 0.000 1.064 572 M CA 1.212 56.505 55.300 -0.012 0.000 1.093 572 M CB -0.209 32.383 32.600 -0.013 0.000 1.401 572 M HN 0.675 nan 8.290 nan 0.000 0.440 573 S N -0.549 115.148 115.700 -0.005 0.000 2.561 573 S HA 0.143 4.601 4.470 -0.020 0.000 0.225 573 S C 1.471 176.080 174.600 0.016 0.000 0.977 573 S CA 0.874 59.076 58.200 0.004 0.000 0.926 573 S CB 0.211 63.413 63.200 0.003 0.000 0.769 573 S HN 0.773 nan 8.310 nan 0.000 0.533 574 G N 0.454 109.269 108.800 0.024 0.000 2.284 574 G HA2 -0.114 3.834 3.960 -0.020 0.000 0.201 574 G HA3 -0.114 3.834 3.960 -0.020 0.000 0.201 574 G C 0.379 175.344 174.900 0.109 0.000 0.998 574 G CA -0.295 44.837 45.100 0.054 0.000 0.651 574 G HN 0.747 nan 8.290 nan 0.000 0.489 575 G N -0.095 108.748 108.800 0.071 0.000 2.553 575 G HA2 0.661 4.609 3.960 -0.020 0.000 0.278 575 G HA3 0.661 4.609 3.960 -0.020 0.000 0.278 575 G C 0.377 175.225 174.900 -0.087 0.000 1.349 575 G CA 0.205 45.349 45.100 0.073 0.000 1.037 575 G HN 1.376 nan 8.290 nan 0.000 0.508 576 G N -1.397 107.196 108.800 -0.345 0.000 2.617 576 G HA2 0.560 4.508 3.960 -0.020 0.000 0.306 576 G HA3 0.560 4.508 3.960 -0.020 0.000 0.306 576 G C -1.710 172.767 174.900 -0.705 0.000 1.360 576 G CA -0.442 44.241 45.100 -0.695 0.000 0.983 576 G HN 0.765 nan 8.290 nan 0.000 0.496 577 L N 1.627 122.317 121.223 -0.888 0.000 2.356 577 L HA 0.851 5.179 4.340 -0.020 0.000 0.277 577 L C -1.734 174.614 176.870 -0.870 0.000 0.996 577 L CA -1.190 53.284 54.840 -0.610 0.000 0.822 577 L CB 1.150 43.016 42.059 -0.322 0.000 1.256 577 L HN 0.363 nan 8.230 nan 0.000 0.413 578 F N 3.071 122.964 119.950 -0.095 0.000 2.434 578 F HA 0.470 4.974 4.527 -0.038 0.000 0.355 578 F C 0.200 175.949 175.800 -0.084 0.000 1.115 578 F CA -0.586 57.367 58.000 -0.080 0.000 1.010 578 F CB 1.334 40.294 39.000 -0.067 0.000 1.234 578 F HN 0.436 nan 8.300 nan 0.000 0.439 579 E N 1.197 121.415 120.200 0.030 0.000 2.194 579 E HA 0.124 4.462 4.350 -0.020 0.000 0.284 579 E C 0.890 177.501 176.600 0.019 0.000 1.035 579 E CA -0.103 56.297 56.400 -0.001 0.000 0.836 579 E CB 1.328 31.011 29.700 -0.028 0.000 1.070 579 E HN 0.747 nan 8.360 nan 0.000 0.401 580 T N 0.176 114.734 114.554 0.006 0.000 2.995 580 T HA 0.076 4.413 4.350 -0.020 0.000 0.269 580 T C 0.813 175.516 174.700 0.006 0.000 1.091 580 T CA 0.372 62.476 62.100 0.008 0.000 1.128 580 T CB 0.238 69.112 68.868 0.011 0.000 0.891 580 T HN 0.429 nan 8.240 nan 0.000 0.492 581 G N -1.055 107.760 108.800 0.024 0.000 2.720 581 G HA2 0.621 4.569 3.960 -0.020 0.000 0.295 581 G HA3 0.621 4.569 3.960 -0.020 0.000 0.295 581 G C 0.158 175.073 174.900 0.024 0.000 1.437 581 G CA -0.293 44.819 45.100 0.019 0.000 0.886 581 G HN 0.255 nan 8.290 nan 0.000 0.509 582 A N 0.004 122.831 122.820 0.011 0.000 2.267 582 A HA 0.631 4.938 4.320 -0.020 0.000 0.213 582 A C 1.405 179.010 177.584 0.035 0.000 1.192 582 A CA 1.287 53.335 52.037 0.018 0.000 0.851 582 A CB -0.186 18.820 19.000 0.009 0.000 0.881 582 A HN 1.279 nan 8.150 nan 0.000 0.494 583 G N -0.788 108.038 108.800 0.043 0.000 2.641 583 G HA2 0.483 4.431 3.960 -0.020 0.000 0.239 583 G HA3 0.483 4.431 3.960 -0.020 0.000 0.239 583 G C 0.529 175.479 174.900 0.084 0.000 1.402 583 G CA -0.048 45.086 45.100 0.055 0.000 1.046 583 G HN 0.526 nan 8.290 nan 0.000 0.565 584 G N -1.435 107.417 108.800 0.086 0.000 2.543 584 G HA2 0.388 4.336 3.960 -0.020 0.000 0.290 584 G HA3 0.388 4.336 3.960 -0.020 0.000 0.290 584 G C 0.876 175.850 174.900 0.123 0.000 1.310 584 G CA 0.616 45.764 45.100 0.080 0.000 1.025 584 G HN 1.062 nan 8.290 nan 0.000 0.502 585 S N -1.315 114.409 115.700 0.039 0.000 2.622 585 S HA 0.446 4.904 4.470 -0.020 0.000 0.236 585 S C 1.042 175.577 174.600 -0.109 0.000 0.956 585 S CA 0.689 58.839 58.200 -0.083 0.000 0.971 585 S CB -0.064 63.053 63.200 -0.140 0.000 0.782 585 S HN 2.130 nan 8.310 nan 0.000 0.468 586 A N 1.925 124.743 122.820 -0.003 0.000 2.091 586 A HA -0.089 4.219 4.320 -0.020 0.000 0.270 586 A C -1.059 176.509 177.584 -0.027 0.000 1.368 586 A CA 0.320 52.301 52.037 -0.094 0.000 0.745 586 A CB -1.777 16.981 19.000 -0.402 0.000 1.173 586 A HN 0.475 nan 8.150 nan 0.000 0.322 587 P HA -0.157 nan 4.420 nan 0.000 0.216 587 P C 1.466 178.864 177.300 0.163 0.000 1.150 587 P CA 1.640 64.821 63.100 0.136 0.000 0.837 587 P CB 0.056 31.837 31.700 0.134 0.000 0.786 588 K N -1.460 119.029 120.400 0.149 0.000 2.147 588 K HA -0.155 4.152 4.320 -0.020 0.000 0.205 588 K C 2.082 178.868 176.600 0.310 0.000 1.049 588 K CA 1.107 57.515 56.287 0.201 0.000 0.936 588 K CB -0.519 32.098 32.500 0.194 0.000 0.722 588 K HN 0.437 nan 8.250 nan 0.000 0.446 589 H N -0.395 118.767 119.070 0.153 0.000 2.389 589 H HA -0.072 4.472 4.556 -0.019 0.000 0.299 589 H C 2.109 177.534 175.328 0.162 0.000 1.081 589 H CA 0.900 57.053 56.048 0.176 0.000 1.345 589 H CB 0.262 30.154 29.762 0.217 0.000 1.393 589 H HN -0.049 nan 8.280 nan 0.000 0.520 590 V N 0.968 121.031 119.914 0.249 0.000 2.427 590 V HA -0.257 3.851 4.120 -0.020 0.000 0.248 590 V C 2.488 178.740 176.094 0.262 0.000 1.051 590 V CA 1.817 64.232 62.300 0.190 0.000 1.048 590 V CB -0.490 31.368 31.823 0.059 0.000 0.666 590 V HN 0.430 nan 8.190 nan 0.000 0.456 591 Q N 0.140 120.082 119.800 0.236 0.000 2.096 591 Q HA -0.316 4.012 4.340 -0.020 0.000 0.204 591 Q C 2.363 178.458 176.000 0.158 0.000 0.982 591 Q CA 2.348 58.258 55.803 0.178 0.000 0.850 591 Q CB -0.202 28.614 28.738 0.130 0.000 0.901 591 Q HN 0.751 nan 8.270 nan 0.000 0.422 592 Q N -0.737 119.174 119.800 0.185 0.000 2.119 592 Q HA -0.192 4.135 4.340 -0.020 0.000 0.201 592 Q C 1.843 177.959 176.000 0.194 0.000 0.972 592 Q CA 1.384 57.287 55.803 0.167 0.000 0.847 592 Q CB -0.230 28.618 28.738 0.184 0.000 0.903 592 Q HN 0.498 nan 8.270 nan 0.000 0.433 593 F N 0.825 120.831 119.950 0.094 0.000 2.134 593 F HA -0.144 4.373 4.527 -0.016 0.000 0.299 593 F C 1.619 177.444 175.800 0.042 0.000 1.097 593 F CA 1.284 59.323 58.000 0.064 0.000 1.264 593 F CB -0.087 38.932 39.000 0.032 0.000 1.001 593 F HN 0.061 nan 8.300 nan 0.000 0.479 594 L N -0.340 120.901 121.223 0.030 0.000 2.109 594 L HA -0.140 4.187 4.340 -0.020 0.000 0.207 594 L C 2.280 179.095 176.870 -0.092 0.000 1.086 594 L CA 1.401 56.197 54.840 -0.073 0.000 0.760 594 L CB -0.680 41.419 42.059 0.066 0.000 0.910 594 L HN 0.155 nan 8.230 nan 0.000 0.437 595 E N 0.312 120.494 120.200 -0.029 0.000 2.112 595 E HA -0.170 4.168 4.350 -0.020 0.000 0.190 595 E C 0.961 177.532 176.600 -0.048 0.000 0.979 595 E CA 1.246 57.629 56.400 -0.027 0.000 0.814 595 E CB 0.274 29.977 29.700 0.006 0.000 0.762 595 E HN 0.603 nan 8.360 nan 0.000 0.460 596 E N -1.480 118.691 120.200 -0.047 0.000 2.862 596 E HA 0.234 4.572 4.350 -0.020 0.000 0.204 596 E C 0.444 177.016 176.600 -0.046 0.000 0.966 596 E CA 0.181 56.559 56.400 -0.038 0.000 1.257 596 E CB 0.819 30.520 29.700 0.001 0.000 1.053 596 E HN 0.131 nan 8.360 nan 0.000 0.487 597 G N 1.504 110.185 108.800 -0.198 0.000 2.305 597 G HA2 -0.354 3.594 3.960 -0.020 0.000 0.287 597 G HA3 -0.354 3.594 3.960 -0.020 0.000 0.287 597 G C -0.677 174.270 174.900 0.080 0.000 1.036 597 G CA 0.956 45.880 45.100 -0.293 0.000 0.887 597 G HN 0.493 nan 8.290 nan 0.000 0.505 598 Y N -0.858 119.506 120.300 0.107 0.000 2.338 598 Y HA 0.614 5.151 4.550 -0.021 0.000 0.333 598 Y C -0.616 175.452 175.900 0.279 0.000 0.968 598 Y CA -1.643 56.565 58.100 0.179 0.000 1.123 598 Y CB 1.574 40.079 38.460 0.075 0.000 1.165 598 Y HN 0.265 nan 8.280 nan 0.000 0.452 599 L N 7.812 128.986 121.223 -0.081 0.000 2.294 599 L HA 0.495 4.823 4.340 -0.020 0.000 0.283 599 L C 0.568 177.312 176.870 -0.210 0.000 1.015 599 L CA -0.213 54.600 54.840 -0.046 0.000 0.831 599 L CB 0.855 42.811 42.059 -0.171 0.000 1.217 599 L HN 0.801 nan 8.230 nan 0.000 0.420 600 R N 3.421 123.876 120.500 -0.075 0.000 2.310 600 R HA 0.046 4.374 4.340 -0.020 0.000 0.202 600 R C 0.323 176.575 176.300 -0.080 0.000 0.933 600 R CA -0.474 55.568 56.100 -0.096 0.000 1.054 600 R CB -0.123 30.138 30.300 -0.065 0.000 0.985 600 R HN 0.655 nan 8.270 nan 0.000 0.489 601 W N 3.544 124.799 121.300 -0.076 0.000 2.343 601 W HA -0.039 4.607 4.660 -0.023 0.000 0.337 601 W C -0.898 175.629 176.519 0.013 0.000 1.320 601 W CA 0.312 57.747 57.345 0.151 0.000 1.290 601 W CB 0.446 29.993 29.460 0.145 0.000 1.206 601 W HN 0.101 nan 8.180 nan 0.000 0.565 602 D N 4.006 124.059 120.400 -0.578 0.000 2.313 602 D HA 0.105 4.733 4.640 -0.020 0.000 0.239 602 D C 0.310 176.211 176.300 -0.666 0.000 1.142 602 D CA -0.005 53.706 54.000 -0.483 0.000 0.847 602 D CB 1.319 41.879 40.800 -0.401 0.000 1.082 602 D HN 0.231 nan 8.370 nan 0.000 0.480 603 S N 3.099 118.576 115.700 -0.371 0.000 2.631 603 S HA -0.021 4.436 4.470 -0.020 0.000 0.217 603 S C 1.707 175.711 174.600 -0.993 0.000 0.958 603 S CA -0.435 57.518 58.200 -0.412 0.000 0.920 603 S CB -0.051 63.099 63.200 -0.085 0.000 0.776 603 S HN 0.504 nan 8.310 nan 0.000 0.517 604 L N 2.386 123.138 121.223 -0.784 0.000 2.051 604 L HA -0.142 4.185 4.340 -0.020 0.000 0.214 604 L C 2.294 178.918 176.870 -0.409 0.000 1.076 604 L CA 2.066 56.539 54.840 -0.612 0.000 0.758 604 L CB -1.122 40.778 42.059 -0.265 0.000 0.890 604 L HN 0.379 nan 8.230 nan 0.000 0.433 605 G N -1.654 106.961 108.800 -0.309 0.000 2.450 605 G HA2 -0.278 3.670 3.960 -0.020 0.000 0.220 605 G HA3 -0.278 3.670 3.960 -0.020 0.000 0.220 605 G C 1.430 176.264 174.900 -0.109 0.000 1.130 605 G CA 0.955 45.958 45.100 -0.162 0.000 0.760 605 G HN 0.518 nan 8.290 nan 0.000 0.557 606 E N -0.135 119.971 120.200 -0.156 0.000 2.072 606 E HA -0.018 4.320 4.350 -0.020 0.000 0.190 606 E C 2.172 178.815 176.600 0.072 0.000 0.982 606 E CA 0.717 57.107 56.400 -0.018 0.000 0.803 606 E CB -0.191 29.542 29.700 0.055 0.000 0.755 606 E HN 0.430 nan 8.360 nan 0.000 0.453 607 F N 0.708 120.635 119.950 -0.038 0.000 2.102 607 F HA -0.125 4.400 4.527 -0.003 0.000 0.298 607 F C 2.045 177.751 175.800 -0.155 0.000 1.105 607 F CA 0.832 58.752 58.000 -0.134 0.000 1.239 607 F CB -1.063 37.846 39.000 -0.151 0.000 0.991 607 F HN -0.000 nan 8.300 nan 0.000 0.474 608 L N -0.195 121.067 121.223 0.064 0.000 2.017 608 L HA -0.197 4.130 4.340 -0.020 0.000 0.208 608 L C 2.733 179.578 176.870 -0.041 0.000 1.073 608 L CA 1.343 56.176 54.840 -0.010 0.000 0.745 608 L CB -1.159 40.888 42.059 -0.019 0.000 0.894 608 L HN 0.143 nan 8.230 nan 0.000 0.432 609 A N -0.071 122.736 122.820 -0.022 0.000 1.933 609 A HA -0.211 4.097 4.320 -0.020 0.000 0.218 609 A C 2.208 179.695 177.584 -0.162 0.000 1.175 609 A CA 1.581 53.594 52.037 -0.039 0.000 0.628 609 A CB -0.647 18.374 19.000 0.035 0.000 0.814 609 A HN 0.329 nan 8.150 nan 0.000 0.444 610 L N -0.211 120.968 121.223 -0.073 0.000 2.046 610 L HA -0.044 4.284 4.340 -0.020 0.000 0.208 610 L C 2.605 179.377 176.870 -0.163 0.000 1.077 610 L CA 2.162 56.957 54.840 -0.076 0.000 0.747 610 L CB -0.807 41.258 42.059 0.010 0.000 0.896 610 L HN 0.329 nan 8.230 nan 0.000 0.432 611 A N -0.566 122.146 122.820 -0.180 0.000 1.930 611 A HA -0.048 4.260 4.320 -0.020 0.000 0.217 611 A C 2.436 179.904 177.584 -0.194 0.000 1.175 611 A CA 1.651 53.580 52.037 -0.181 0.000 0.627 611 A CB -1.065 17.830 19.000 -0.176 0.000 0.815 611 A HN 0.565 nan 8.150 nan 0.000 0.443 612 A N -0.832 121.821 122.820 -0.278 0.000 1.930 612 A HA -0.060 4.248 4.320 -0.020 0.000 0.217 612 A C 2.472 179.638 177.584 -0.697 0.000 1.175 612 A CA 2.043 53.857 52.037 -0.371 0.000 0.627 612 A CB -0.868 17.941 19.000 -0.319 0.000 0.815 612 A HN 0.578 nan 8.150 nan 0.000 0.443 613 S N -0.450 114.666 115.700 -0.972 0.000 2.368 613 S HA -0.083 4.375 4.470 -0.020 0.000 0.224 613 S C 1.953 176.432 174.600 -0.202 0.000 1.029 613 S CA 1.377 59.087 58.200 -0.816 0.000 0.988 613 S CB -0.473 62.424 63.200 -0.504 0.000 0.838 613 S HN 0.481 nan 8.310 nan 0.000 0.462 614 L N 1.109 122.255 121.223 -0.128 0.000 2.046 614 L HA -0.067 4.261 4.340 -0.020 0.000 0.208 614 L C 2.786 179.671 176.870 0.025 0.000 1.077 614 L CA 1.870 56.709 54.840 -0.003 0.000 0.747 614 L CB -0.552 41.526 42.059 0.031 0.000 0.896 614 L HN 0.492 nan 8.230 nan 0.000 0.432 615 E N -0.344 119.851 120.200 -0.008 0.000 2.077 615 E HA -0.315 4.023 4.350 -0.020 0.000 0.193 615 E C 2.114 178.762 176.600 0.081 0.000 0.989 615 E CA 1.523 57.940 56.400 0.028 0.000 0.800 615 E CB -0.051 29.655 29.700 0.011 0.000 0.746 615 E HN 0.531 nan 8.360 nan 0.000 0.452 616 H N 0.326 119.411 119.070 0.025 0.000 2.321 616 H HA -0.117 4.429 4.556 -0.017 0.000 0.300 616 H C 2.203 177.620 175.328 0.148 0.000 1.087 616 H CA 1.932 58.056 56.048 0.127 0.000 1.319 616 H CB -0.171 29.751 29.762 0.266 0.000 1.379 616 H HN 0.246 nan 8.280 nan 0.000 0.501 617 L N -0.417 120.960 121.223 0.256 0.000 2.056 617 L HA -0.044 4.284 4.340 -0.020 0.000 0.207 617 L C 2.575 179.554 176.870 0.182 0.000 1.078 617 L CA 1.542 56.531 54.840 0.248 0.000 0.749 617 L CB -0.753 41.399 42.059 0.155 0.000 0.901 617 L HN 0.507 nan 8.230 nan 0.000 0.433 618 G N -0.322 108.542 108.800 0.107 0.000 2.440 618 G HA2 -0.302 3.646 3.960 -0.020 0.000 0.218 618 G HA3 -0.302 3.646 3.960 -0.020 0.000 0.218 618 G C 1.316 176.256 174.900 0.067 0.000 1.154 618 G CA 0.940 46.090 45.100 0.084 0.000 0.767 618 G HN 0.406 nan 8.290 nan 0.000 0.552 619 N N 1.013 119.728 118.700 0.024 0.000 2.250 619 N HA 0.004 4.732 4.740 -0.020 0.000 0.181 619 N C 2.495 177.977 175.510 -0.046 0.000 1.017 619 N CA 1.106 54.146 53.050 -0.016 0.000 0.866 619 N CB -0.368 38.093 38.487 -0.043 0.000 0.985 619 N HN 0.311 nan 8.380 nan 0.000 0.429 620 A N 0.050 122.823 122.820 -0.077 0.000 1.898 620 A HA -0.078 4.230 4.320 -0.020 0.000 0.216 620 A C 1.252 178.748 177.584 -0.147 0.000 1.181 620 A CA 1.041 52.996 52.037 -0.136 0.000 0.620 620 A CB -0.604 18.304 19.000 -0.154 0.000 0.819 620 A HN 0.301 nan 8.150 nan 0.000 0.442 621 Y N -0.580 119.708 120.300 -0.019 0.000 2.468 621 Y HA 0.186 4.723 4.550 -0.022 0.000 0.268 621 Y C 0.195 176.096 175.900 0.002 0.000 1.177 621 Y CA -0.164 57.938 58.100 0.002 0.000 1.265 621 Y CB 0.531 39.003 38.460 0.020 0.000 1.103 621 Y HN 0.139 nan 8.280 nan 0.000 0.522 622 K N 1.133 121.594 120.400 0.102 0.000 3.257 622 K HA -0.258 4.050 4.320 -0.020 0.000 0.270 622 K C -0.796 175.853 176.600 0.082 0.000 0.984 622 K CA 0.450 56.776 56.287 0.065 0.000 0.739 622 K CB -1.741 30.782 32.500 0.038 0.000 1.351 622 K HN 0.363 nan 8.250 nan 0.000 0.463 623 N N 0.860 119.617 118.700 0.095 0.000 2.609 623 N HA 0.206 4.934 4.740 -0.020 0.000 0.234 623 N C -1.858 173.685 175.510 0.055 0.000 1.001 623 N CA -2.140 50.956 53.050 0.076 0.000 0.926 623 N CB 1.327 39.861 38.487 0.078 0.000 1.130 623 N HN -0.136 nan 8.380 nan 0.000 0.510 624 P HA -0.109 nan 4.420 nan 0.000 0.216 624 P C 0.879 178.201 177.300 0.037 0.000 1.150 624 P CA 1.438 64.559 63.100 0.036 0.000 0.837 624 P CB 0.481 32.199 31.700 0.030 0.000 0.786 625 K N -0.541 119.881 120.400 0.037 0.000 2.097 625 K HA -0.057 4.251 4.320 -0.020 0.000 0.206 625 K C 2.147 178.775 176.600 0.047 0.000 1.049 625 K CA 1.406 57.716 56.287 0.038 0.000 0.933 625 K CB -0.614 31.907 32.500 0.035 0.000 0.717 625 K HN 0.050 nan 8.250 nan 0.000 0.442 626 A N 1.473 124.323 122.820 0.051 0.000 1.933 626 A HA -0.121 4.187 4.320 -0.020 0.000 0.218 626 A C 2.091 179.715 177.584 0.066 0.000 1.175 626 A CA 1.189 53.264 52.037 0.063 0.000 0.628 626 A CB -0.568 18.467 19.000 0.058 0.000 0.814 626 A HN 0.150 nan 8.150 nan 0.000 0.444 627 L N -0.634 120.621 121.223 0.052 0.000 2.093 627 L HA -0.133 4.195 4.340 -0.020 0.000 0.208 627 L C 2.461 179.359 176.870 0.046 0.000 1.085 627 L CA 0.873 55.738 54.840 0.043 0.000 0.755 627 L CB -0.542 41.538 42.059 0.034 0.000 0.904 627 L HN 0.240 nan 8.230 nan 0.000 0.435 628 V N 0.060 120.003 119.914 0.048 0.000 2.358 628 V HA -0.251 3.857 4.120 -0.020 0.000 0.246 628 V C 2.412 178.559 176.094 0.088 0.000 1.047 628 V CA 1.382 63.712 62.300 0.049 0.000 1.035 628 V CB -0.282 31.560 31.823 0.032 0.000 0.658 628 V HN 0.336 nan 8.190 nan 0.000 0.452 629 L N 0.050 121.342 121.223 0.116 0.000 2.042 629 L HA -0.193 4.135 4.340 -0.020 0.000 0.210 629 L C 2.717 179.757 176.870 0.284 0.000 1.076 629 L CA 1.657 56.652 54.840 0.258 0.000 0.749 629 L CB -0.746 41.457 42.059 0.240 0.000 0.893 629 L HN 0.386 nan 8.230 nan 0.000 0.432 630 A N -0.747 122.147 122.820 0.122 0.000 1.873 630 A HA -0.174 4.134 4.320 -0.020 0.000 0.215 630 A C 2.495 180.065 177.584 -0.025 0.000 1.186 630 A CA 1.963 54.011 52.037 0.018 0.000 0.616 630 A CB -0.582 18.419 19.000 0.002 0.000 0.823 630 A HN 0.368 nan 8.150 nan 0.000 0.442 631 S N -0.053 115.653 115.700 0.010 0.000 2.368 631 S HA -0.163 4.295 4.470 -0.020 0.000 0.225 631 S C 2.205 176.795 174.600 -0.016 0.000 1.030 631 S CA 2.013 60.209 58.200 -0.007 0.000 0.999 631 S CB -0.730 62.476 63.200 0.010 0.000 0.844 631 S HN 0.889 nan 8.310 nan 0.000 0.459 632 T N 0.806 115.388 114.554 0.047 0.000 2.867 632 T HA 0.036 4.373 4.350 -0.020 0.000 0.268 632 T C 1.716 176.361 174.700 -0.092 0.000 1.057 632 T CA 0.809 62.959 62.100 0.083 0.000 1.136 632 T CB -0.432 68.581 68.868 0.241 0.000 0.874 632 T HN 0.206 nan 8.240 nan 0.000 0.466 633 L N 1.793 122.812 121.223 -0.341 0.000 2.093 633 L HA 0.045 4.372 4.340 -0.020 0.000 0.208 633 L C 1.863 178.447 176.870 -0.476 0.000 1.085 633 L CA 1.732 56.026 54.840 -0.909 0.000 0.755 633 L CB -0.873 40.536 42.059 -1.084 0.000 0.904 633 L HN 0.073 nan 8.230 nan 0.000 0.435 634 D N -0.639 119.601 120.400 -0.267 0.000 2.123 634 D HA -0.274 4.354 4.640 -0.020 0.000 0.196 634 D C 2.003 178.212 176.300 -0.150 0.000 0.992 634 D CA 1.600 55.497 54.000 -0.172 0.000 0.833 634 D CB -0.048 40.690 40.800 -0.104 0.000 0.954 634 D HN 0.585 nan 8.370 nan 0.000 0.455 635 Q N 0.454 120.177 119.800 -0.129 0.000 2.084 635 Q HA -0.115 4.213 4.340 -0.020 0.000 0.202 635 Q C 2.051 177.970 176.000 -0.134 0.000 0.978 635 Q CA 1.604 57.344 55.803 -0.104 0.000 0.844 635 Q CB -0.049 28.653 28.738 -0.060 0.000 0.898 635 Q HN 0.179 nan 8.270 nan 0.000 0.426 636 A N 0.017 122.746 122.820 -0.152 0.000 1.902 636 A HA -0.163 4.145 4.320 -0.020 0.000 0.217 636 A C 2.223 179.724 177.584 -0.139 0.000 1.181 636 A CA 1.893 53.865 52.037 -0.108 0.000 0.623 636 A CB -0.963 17.938 19.000 -0.166 0.000 0.818 636 A HN 0.502 nan 8.150 nan 0.000 0.443 637 T N -0.316 114.110 114.554 -0.213 0.000 2.821 637 T HA -0.017 4.321 4.350 -0.020 0.000 0.267 637 T C 1.936 176.579 174.700 -0.095 0.000 1.046 637 T CA 1.312 63.329 62.100 -0.139 0.000 1.139 637 T CB -0.517 68.285 68.868 -0.110 0.000 0.871 637 T HN 0.584 nan 8.240 nan 0.000 0.454 638 G N 1.498 110.229 108.800 -0.116 0.000 2.432 638 G HA2 -0.172 3.776 3.960 -0.020 0.000 0.219 638 G HA3 -0.172 3.776 3.960 -0.020 0.000 0.219 638 G C 1.621 176.436 174.900 -0.143 0.000 1.135 638 G CA 0.481 45.517 45.100 -0.106 0.000 0.767 638 G HN 0.412 nan 8.290 nan 0.000 0.550 639 K N -0.186 120.084 120.400 -0.216 0.000 2.155 639 K HA 0.090 4.398 4.320 -0.020 0.000 0.203 639 K C 2.367 178.845 176.600 -0.203 0.000 1.052 639 K CA 0.268 56.328 56.287 -0.377 0.000 0.948 639 K CB -0.116 31.832 32.500 -0.921 0.000 0.728 639 K HN 0.177 nan 8.250 nan 0.000 0.448 640 I N 1.634 122.191 120.570 -0.021 0.000 2.208 640 I HA -0.280 3.878 4.170 -0.020 0.000 0.245 640 I C 2.203 178.274 176.117 -0.077 0.000 1.097 640 I CA 1.550 62.897 61.300 0.078 0.000 1.363 640 I CB -0.831 37.230 38.000 0.101 0.000 1.051 640 I HN 0.175 nan 8.210 nan 0.000 0.413 641 L N -0.060 121.057 121.223 -0.175 0.000 2.023 641 L HA -0.179 4.149 4.340 -0.020 0.000 0.205 641 L C 2.210 178.884 176.870 -0.327 0.000 1.073 641 L CA 1.232 55.826 54.840 -0.410 0.000 0.745 641 L CB -0.679 41.110 42.059 -0.451 0.000 0.900 641 L HN 0.166 nan 8.230 nan 0.000 0.435 642 D N 0.037 120.365 120.400 -0.119 0.000 2.178 642 D HA -0.135 4.493 4.640 -0.020 0.000 0.201 642 D C 1.354 177.655 176.300 0.003 0.000 0.980 642 D CA 1.063 55.077 54.000 0.023 0.000 0.842 642 D CB -0.253 40.547 40.800 0.001 0.000 0.948 642 D HN 0.259 nan 8.370 nan 0.000 0.472 643 N N 0.612 119.276 118.700 -0.060 0.000 2.268 643 N HA -0.035 4.692 4.740 -0.020 0.000 0.204 643 N C -0.293 175.189 175.510 -0.046 0.000 1.124 643 N CA -0.067 52.961 53.050 -0.036 0.000 0.838 643 N CB -0.150 38.322 38.487 -0.025 0.000 0.994 643 N HN 0.009 nan 8.380 nan 0.000 0.489 644 N N 1.073 119.735 118.700 -0.064 0.000 2.688 644 N HA -0.183 4.545 4.740 -0.020 0.000 0.258 644 N C -0.600 174.856 175.510 -0.091 0.000 1.016 644 N CA 0.452 53.457 53.050 -0.074 0.000 0.747 644 N CB -0.401 38.074 38.487 -0.021 0.000 0.895 644 N HN 0.013 nan 8.380 nan 0.000 0.543 645 K N -0.279 120.066 120.400 -0.092 0.000 2.576 645 K HA 0.252 4.560 4.320 -0.020 0.000 0.209 645 K C 0.027 176.628 176.600 0.002 0.000 1.049 645 K CA -0.102 56.112 56.287 -0.122 0.000 1.140 645 K CB 0.398 32.775 32.500 -0.205 0.000 0.871 645 K HN 0.228 nan 8.250 nan 0.000 0.479 646 S N 2.117 117.812 115.700 -0.008 0.000 2.652 646 S HA 0.378 4.836 4.470 -0.020 0.000 0.270 646 S C -2.361 172.252 174.600 0.021 0.000 1.243 646 S CA -0.999 57.209 58.200 0.014 0.000 0.999 646 S CB 0.878 64.053 63.200 -0.041 0.000 0.973 646 S HN 0.034 nan 8.310 nan 0.000 0.544 647 P HA 0.227 nan 4.420 nan 0.000 0.268 647 P C -0.550 176.802 177.300 0.086 0.000 1.208 647 P CA -0.006 63.115 63.100 0.035 0.000 0.777 647 P CB 0.455 32.142 31.700 -0.022 0.000 0.875 648 A N 2.689 125.629 122.820 0.201 0.000 3.623 648 A HA 0.542 4.850 4.320 -0.020 0.000 0.157 648 A C 1.333 179.037 177.584 0.199 0.000 1.850 648 A CA 0.300 52.441 52.037 0.173 0.000 1.186 648 A CB 0.019 19.115 19.000 0.161 0.000 1.824 648 A HN 0.517 nan 8.150 nan 0.000 0.710 649 R N -2.841 117.687 120.500 0.047 0.000 2.646 649 R HA 0.232 4.560 4.340 -0.020 0.000 0.226 649 R C 0.852 176.906 176.300 -0.410 0.000 0.928 649 R CA 0.516 56.581 56.100 -0.059 0.000 1.010 649 R CB -0.030 30.249 30.300 -0.035 0.000 1.516 649 R HN 0.481 nan 8.270 nan 0.000 0.621 650 K N -0.436 119.619 120.400 -0.574 0.000 3.216 650 K HA 0.471 4.779 4.320 -0.020 0.000 0.207 650 K C -0.548 175.484 176.600 -0.946 0.000 1.115 650 K CA 0.485 56.413 56.287 -0.598 0.000 1.370 650 K CB 0.402 32.732 32.500 -0.284 0.000 1.892 650 K HN -0.085 nan 8.250 nan 0.000 0.473 651 V N -1.354 118.244 119.914 -0.527 0.000 3.023 651 V HA 0.466 4.574 4.120 -0.020 0.000 0.294 651 V C 0.064 176.119 176.094 -0.065 0.000 1.324 651 V CA -0.060 62.087 62.300 -0.254 0.000 0.979 651 V CB 1.595 33.352 31.823 -0.111 0.000 1.093 651 V HN 0.718 nan 8.190 nan 0.000 0.434 652 G N 3.864 112.704 108.800 0.067 0.000 2.493 652 G HA2 -0.142 3.805 3.960 -0.020 0.000 0.206 652 G HA3 -0.142 3.805 3.960 -0.020 0.000 0.206 652 G C 0.141 175.105 174.900 0.106 0.000 1.109 652 G CA 0.245 45.383 45.100 0.064 0.000 0.689 652 G HN 0.669 nan 8.290 nan 0.000 0.516 653 E N 1.245 121.522 120.200 0.128 0.000 2.342 653 E HA 0.535 4.872 4.350 -0.020 0.000 0.257 653 E C 1.091 177.840 176.600 0.249 0.000 1.150 653 E CA -0.184 56.310 56.400 0.157 0.000 0.926 653 E CB 1.051 30.825 29.700 0.122 0.000 1.074 653 E HN 0.718 nan 8.360 nan 0.000 0.449 654 I N -0.461 120.219 120.570 0.184 0.000 2.752 654 I HA 0.045 4.203 4.170 -0.020 0.000 0.287 654 I C 0.178 176.358 176.117 0.105 0.000 1.188 654 I CA -0.315 61.077 61.300 0.154 0.000 1.427 654 I CB 0.262 38.366 38.000 0.173 0.000 1.365 654 I HN 0.461 nan 8.210 nan 0.000 0.585 655 D N 3.997 124.343 120.400 -0.089 0.000 2.668 655 D HA 0.075 4.703 4.640 -0.020 0.000 0.249 655 D C 0.671 176.832 176.300 -0.232 0.000 1.150 655 D CA -0.505 53.242 54.000 -0.422 0.000 1.090 655 D CB -0.009 40.142 40.800 -1.081 0.000 1.244 655 D HN 0.694 nan 8.370 nan 0.000 0.636 656 N N -0.179 118.353 118.700 -0.280 0.000 2.060 656 N HA -0.226 4.501 4.740 -0.020 0.000 0.195 656 N C 1.659 176.924 175.510 -0.408 0.000 1.028 656 N CA 1.242 54.135 53.050 -0.261 0.000 0.861 656 N CB 0.024 38.404 38.487 -0.178 0.000 1.029 656 N HN 0.312 nan 8.380 nan 0.000 0.428 657 R N -0.267 120.095 120.500 -0.230 0.000 2.096 657 R HA -0.045 4.282 4.340 -0.020 0.000 0.235 657 R C 2.461 178.796 176.300 0.059 0.000 1.127 657 R CA 1.271 57.331 56.100 -0.067 0.000 0.968 657 R CB -0.554 29.776 30.300 0.050 0.000 0.861 657 R HN 0.287 nan 8.270 nan 0.000 0.440 658 G N 0.451 109.278 108.800 0.045 0.000 2.408 658 G HA2 -0.285 3.662 3.960 -0.020 0.000 0.217 658 G HA3 -0.285 3.662 3.960 -0.020 0.000 0.217 658 G C 1.497 176.559 174.900 0.270 0.000 1.150 658 G CA 0.954 46.148 45.100 0.157 0.000 0.776 658 G HN 0.455 nan 8.290 nan 0.000 0.542 659 S N 0.008 115.814 115.700 0.177 0.000 2.402 659 S HA -0.127 4.331 4.470 -0.020 0.000 0.229 659 S C 1.927 176.727 174.600 0.333 0.000 1.021 659 S CA 1.442 59.797 58.200 0.259 0.000 0.974 659 S CB -0.802 62.525 63.200 0.212 0.000 0.800 659 S HN 0.662 nan 8.310 nan 0.000 0.484 660 H N -0.427 118.806 119.070 0.270 0.000 2.423 660 H HA 0.027 4.569 4.556 -0.025 0.000 0.297 660 H C 1.923 177.340 175.328 0.148 0.000 1.075 660 H CA 1.300 57.492 56.048 0.240 0.000 1.342 660 H CB -0.211 29.738 29.762 0.310 0.000 1.395 660 H HN 0.543 nan 8.280 nan 0.000 0.530 661 F N 0.930 120.931 119.950 0.084 0.000 2.113 661 F HA -0.239 4.276 4.527 -0.020 0.000 0.297 661 F C 1.702 177.235 175.800 -0.445 0.000 1.103 661 F CA 1.240 58.999 58.000 -0.402 0.000 1.248 661 F CB -0.730 37.798 39.000 -0.786 0.000 0.999 661 F HN 0.036 nan 8.300 nan 0.000 0.475 662 Y N -0.175 119.787 120.300 -0.563 0.000 2.274 662 Y HA -0.204 4.333 4.550 -0.022 0.000 0.290 662 Y C 2.294 177.751 175.900 -0.738 0.000 1.145 662 Y CA 1.384 58.978 58.100 -0.843 0.000 1.203 662 Y CB -0.564 37.618 38.460 -0.463 0.000 0.984 662 Y HN 0.241 nan 8.280 nan 0.000 0.533 663 L N 0.014 121.059 121.223 -0.298 0.000 2.017 663 L HA -0.172 4.156 4.340 -0.020 0.000 0.208 663 L C 2.443 179.160 176.870 -0.255 0.000 1.073 663 L CA 1.997 56.633 54.840 -0.341 0.000 0.745 663 L CB -0.986 40.703 42.059 -0.616 0.000 0.894 663 L HN 0.129 nan 8.230 nan 0.000 0.432 664 A N -0.605 122.078 122.820 -0.228 0.000 1.908 664 A HA -0.227 4.081 4.320 -0.020 0.000 0.218 664 A C 2.251 179.823 177.584 -0.021 0.000 1.181 664 A CA 2.044 54.041 52.037 -0.066 0.000 0.627 664 A CB -1.092 18.060 19.000 0.254 0.000 0.818 664 A HN 0.513 nan 8.150 nan 0.000 0.445 665 L N -1.081 119.860 121.223 -0.470 0.000 1.989 665 L HA -0.177 4.151 4.340 -0.020 0.000 0.211 665 L C 2.388 179.206 176.870 -0.086 0.000 1.071 665 L CA 2.091 56.660 54.840 -0.451 0.000 0.749 665 L CB -0.895 40.561 42.059 -1.005 0.000 0.890 665 L HN 0.539 nan 8.230 nan 0.000 0.431 666 Y N -2.737 117.525 120.300 -0.064 0.000 2.242 666 Y HA -0.299 4.238 4.550 -0.023 0.000 0.291 666 Y C 2.350 178.310 175.900 0.099 0.000 1.137 666 Y CA 0.705 58.808 58.100 0.005 0.000 1.181 666 Y CB -0.474 37.961 38.460 -0.042 0.000 0.989 666 Y HN 0.386 nan 8.280 nan 0.000 0.527 667 W N 1.015 122.329 121.300 0.023 0.000 2.379 667 W HA -0.173 4.480 4.660 -0.011 0.000 0.307 667 W C 2.499 179.097 176.519 0.132 0.000 1.200 667 W CA 1.611 58.945 57.345 -0.018 0.000 1.297 667 W CB -0.886 28.415 29.460 -0.265 0.000 1.140 667 W HN -0.002 nan 8.180 nan 0.000 0.507 668 A N 0.116 123.214 122.820 0.463 0.000 1.902 668 A HA -0.260 4.048 4.320 -0.020 0.000 0.217 668 A C 1.948 179.650 177.584 0.196 0.000 1.181 668 A CA 1.985 54.213 52.037 0.318 0.000 0.623 668 A CB -0.872 18.351 19.000 0.371 0.000 0.818 668 A HN 0.503 nan 8.150 nan 0.000 0.443 669 Q N -0.770 119.147 119.800 0.195 0.000 2.084 669 Q HA -0.102 4.226 4.340 -0.020 0.000 0.202 669 Q C 2.455 178.529 176.000 0.124 0.000 0.978 669 Q CA 1.367 57.262 55.803 0.153 0.000 0.844 669 Q CB -0.378 28.463 28.738 0.172 0.000 0.898 669 Q HN 0.691 nan 8.270 nan 0.000 0.426 670 A N 0.774 123.680 122.820 0.142 0.000 1.902 670 A HA -0.159 4.149 4.320 -0.020 0.000 0.217 670 A C 2.045 179.670 177.584 0.070 0.000 1.181 670 A CA 1.096 53.196 52.037 0.105 0.000 0.623 670 A CB -0.651 18.428 19.000 0.131 0.000 0.818 670 A HN 0.294 nan 8.150 nan 0.000 0.443 671 L N -0.919 120.323 121.223 0.032 0.000 2.141 671 L HA -0.159 4.169 4.340 -0.020 0.000 0.209 671 L C 2.934 179.813 176.870 0.014 0.000 1.094 671 L CA 0.951 55.742 54.840 -0.083 0.000 0.763 671 L CB -0.331 41.434 42.059 -0.490 0.000 0.908 671 L HN 0.438 nan 8.230 nan 0.000 0.437 672 A N -0.648 122.214 122.820 0.071 0.000 2.067 672 A HA 0.101 4.409 4.320 -0.020 0.000 0.217 672 A C 2.255 179.875 177.584 0.061 0.000 1.156 672 A CA 1.284 53.374 52.037 0.089 0.000 0.683 672 A CB -0.315 18.746 19.000 0.102 0.000 0.808 672 A HN 0.368 nan 8.150 nan 0.000 0.455 673 A N -0.456 122.396 122.820 0.053 0.000 2.252 673 A HA 0.320 4.628 4.320 -0.020 0.000 0.213 673 A C 0.967 178.571 177.584 0.033 0.000 1.188 673 A CA 0.391 52.453 52.037 0.042 0.000 0.863 673 A CB -0.162 18.863 19.000 0.042 0.000 0.893 673 A HN 0.600 nan 8.150 nan 0.000 0.495 674 Q N 0.160 119.978 119.800 0.031 0.000 2.373 674 Q HA 0.382 4.710 4.340 -0.020 0.000 0.255 674 Q C 0.145 176.159 176.000 0.023 0.000 0.980 674 Q CA 0.810 56.628 55.803 0.025 0.000 0.882 674 Q CB -0.172 28.580 28.738 0.023 0.000 1.249 674 Q HN 0.199 nan 8.270 nan 0.000 0.438 675 T N -1.771 112.795 114.554 0.020 0.000 3.243 675 T HA 0.176 4.514 4.350 -0.020 0.000 0.264 675 T C 0.116 174.826 174.700 0.017 0.000 1.000 675 T CA -0.321 61.790 62.100 0.018 0.000 0.901 675 T CB -0.085 68.792 68.868 0.015 0.000 1.083 675 T HN 0.677 nan 8.240 nan 0.000 0.559 676 E N 0.851 121.062 120.200 0.018 0.000 2.340 676 E HA 0.117 4.455 4.350 -0.020 0.000 0.198 676 E C 0.093 176.704 176.600 0.019 0.000 0.961 676 E CA 0.084 56.494 56.400 0.017 0.000 0.905 676 E CB 0.451 30.161 29.700 0.018 0.000 0.884 676 E HN 0.514 nan 8.360 nan 0.000 0.491 677 D N 0.808 121.220 120.400 0.021 0.000 2.476 677 D HA 0.160 4.788 4.640 -0.020 0.000 0.251 677 D C 0.346 176.663 176.300 0.027 0.000 1.291 677 D CA -0.220 53.794 54.000 0.024 0.000 0.939 677 D CB 1.408 42.224 40.800 0.026 0.000 1.221 677 D HN -0.207 nan 8.370 nan 0.000 0.567 678 K N 1.741 122.154 120.400 0.023 0.000 2.097 678 K HA -0.111 4.196 4.320 -0.020 0.000 0.206 678 K C 1.444 178.059 176.600 0.025 0.000 1.049 678 K CA 1.035 57.335 56.287 0.022 0.000 0.933 678 K CB 0.453 32.962 32.500 0.015 0.000 0.717 678 K HN 0.508 nan 8.250 nan 0.000 0.442 679 E N 0.920 121.134 120.200 0.024 0.000 2.077 679 E HA -0.162 4.175 4.350 -0.020 0.000 0.193 679 E C 2.107 178.735 176.600 0.046 0.000 0.989 679 E CA 0.908 57.321 56.400 0.022 0.000 0.800 679 E CB -0.109 29.601 29.700 0.015 0.000 0.746 679 E HN 0.237 nan 8.360 nan 0.000 0.452 680 L N 0.882 122.149 121.223 0.074 0.000 2.093 680 L HA -0.209 4.119 4.340 -0.020 0.000 0.208 680 L C 2.833 179.815 176.870 0.187 0.000 1.085 680 L CA 1.120 56.055 54.840 0.157 0.000 0.755 680 L CB -0.312 41.800 42.059 0.088 0.000 0.904 680 L HN 0.187 nan 8.230 nan 0.000 0.435 681 Q N 0.050 119.908 119.800 0.096 0.000 2.084 681 Q HA -0.239 4.089 4.340 -0.020 0.000 0.202 681 Q C 2.261 178.306 176.000 0.075 0.000 0.978 681 Q CA 1.884 57.738 55.803 0.084 0.000 0.844 681 Q CB -0.057 28.710 28.738 0.049 0.000 0.898 681 Q HN 0.515 nan 8.270 nan 0.000 0.426 682 A N 0.696 123.542 122.820 0.042 0.000 1.873 682 A HA -0.260 4.048 4.320 -0.020 0.000 0.215 682 A C 2.002 179.570 177.584 -0.027 0.000 1.186 682 A CA 1.633 53.674 52.037 0.007 0.000 0.616 682 A CB -0.798 18.198 19.000 -0.007 0.000 0.823 682 A HN 0.626 nan 8.150 nan 0.000 0.442 683 Q N -1.593 118.182 119.800 -0.041 0.000 2.084 683 Q HA -0.158 4.169 4.340 -0.020 0.000 0.202 683 Q C 1.283 177.074 176.000 -0.349 0.000 0.978 683 Q CA 1.816 57.502 55.803 -0.195 0.000 0.844 683 Q CB -0.199 28.401 28.738 -0.229 0.000 0.898 683 Q HN 0.616 nan 8.270 nan 0.000 0.426 684 F N -0.191 119.676 119.950 -0.139 0.000 2.797 684 F HA 0.095 4.611 4.527 -0.019 0.000 0.302 684 F C 2.089 177.833 175.800 -0.093 0.000 1.130 684 F CA 0.587 58.489 58.000 -0.162 0.000 1.387 684 F CB 0.155 39.041 39.000 -0.189 0.000 1.107 684 F HN 0.043 nan 8.300 nan 0.000 0.577 685 T N -0.484 114.099 114.554 0.048 0.000 2.684 685 T HA -0.171 4.167 4.350 -0.020 0.000 0.267 685 T C 2.449 177.152 174.700 0.005 0.000 1.036 685 T CA 1.710 63.831 62.100 0.035 0.000 1.148 685 T CB -0.810 68.067 68.868 0.016 0.000 0.863 685 T HN 0.443 nan 8.240 nan 0.000 0.436 686 G N 1.416 110.190 108.800 -0.043 0.000 2.422 686 G HA2 -0.103 3.845 3.960 -0.020 0.000 0.218 686 G HA3 -0.103 3.845 3.960 -0.020 0.000 0.218 686 G C 1.454 176.325 174.900 -0.049 0.000 1.140 686 G CA 0.294 45.364 45.100 -0.050 0.000 0.775 686 G HN 0.370 nan 8.290 nan 0.000 0.545 687 I N 1.890 122.405 120.570 -0.093 0.000 2.202 687 I HA -0.094 4.063 4.170 -0.020 0.000 0.242 687 I C 3.243 179.384 176.117 0.040 0.000 1.091 687 I CA 1.193 62.449 61.300 -0.073 0.000 1.368 687 I CB -1.407 36.468 38.000 -0.210 0.000 1.058 687 I HN 0.251 nan 8.210 nan 0.000 0.410 688 A N 0.930 123.796 122.820 0.076 0.000 1.902 688 A HA -0.262 4.046 4.320 -0.020 0.000 0.217 688 A C 2.476 180.106 177.584 0.076 0.000 1.181 688 A CA 2.068 54.166 52.037 0.103 0.000 0.623 688 A CB -0.617 18.452 19.000 0.115 0.000 0.818 688 A HN 0.425 nan 8.150 nan 0.000 0.443 689 K N -0.301 120.131 120.400 0.053 0.000 2.026 689 K HA -0.100 4.208 4.320 -0.020 0.000 0.208 689 K C 2.176 178.805 176.600 0.049 0.000 1.048 689 K CA 1.351 57.665 56.287 0.045 0.000 0.929 689 K CB -0.385 32.131 32.500 0.027 0.000 0.713 689 K HN 0.339 nan 8.250 nan 0.000 0.439 690 A N 1.400 124.246 122.820 0.044 0.000 1.883 690 A HA -0.144 4.164 4.320 -0.020 0.000 0.217 690 A C 2.166 179.803 177.584 0.088 0.000 1.186 690 A CA 1.534 53.603 52.037 0.053 0.000 0.624 690 A CB -0.704 18.322 19.000 0.044 0.000 0.822 690 A HN 0.350 nan 8.150 nan 0.000 0.444 691 L N -0.908 120.387 121.223 0.121 0.000 2.093 691 L HA -0.141 4.186 4.340 -0.020 0.000 0.208 691 L C 2.785 179.749 176.870 0.158 0.000 1.085 691 L CA 1.671 56.620 54.840 0.181 0.000 0.755 691 L CB -0.879 41.270 42.059 0.149 0.000 0.904 691 L HN 0.356 nan 8.230 nan 0.000 0.435 692 T N -0.971 113.644 114.554 0.102 0.000 2.737 692 T HA -0.162 4.176 4.350 -0.020 0.000 0.265 692 T C 1.409 176.159 174.700 0.083 0.000 1.038 692 T CA 1.458 63.615 62.100 0.095 0.000 1.144 692 T CB -0.215 68.702 68.868 0.082 0.000 0.866 692 T HN 0.278 nan 8.240 nan 0.000 0.434 693 D N 1.238 121.675 120.400 0.063 0.000 2.264 693 D HA -0.011 4.617 4.640 -0.020 0.000 0.208 693 D C 1.438 177.755 176.300 0.027 0.000 0.966 693 D CA 0.723 54.748 54.000 0.042 0.000 0.864 693 D CB -0.196 40.623 40.800 0.033 0.000 0.933 693 D HN 0.329 nan 8.370 nan 0.000 0.499 694 N N 0.588 119.304 118.700 0.027 0.000 2.238 694 N HA -0.021 4.707 4.740 -0.020 0.000 0.222 694 N C 1.263 176.711 175.510 -0.104 0.000 1.133 694 N CA -0.061 52.973 53.050 -0.026 0.000 0.854 694 N CB 1.031 39.506 38.487 -0.021 0.000 1.041 694 N HN 0.351 nan 8.380 nan 0.000 0.510 695 E N 1.198 121.383 120.200 -0.024 0.000 2.033 695 E HA -0.178 4.160 4.350 -0.020 0.000 0.199 695 E C 0.960 177.432 176.600 -0.212 0.000 1.011 695 E CA 1.686 58.044 56.400 -0.071 0.000 0.815 695 E CB 0.244 30.025 29.700 0.135 0.000 0.755 695 E HN 0.116 nan 8.360 nan 0.000 0.451 696 T N 0.881 115.388 114.554 -0.080 0.000 2.684 696 T HA -0.188 4.150 4.350 -0.020 0.000 0.267 696 T C 1.854 176.483 174.700 -0.119 0.000 1.036 696 T CA 1.637 63.697 62.100 -0.067 0.000 1.148 696 T CB -0.238 68.620 68.868 -0.016 0.000 0.863 696 T HN 0.183 nan 8.240 nan 0.000 0.436 697 K N 0.625 120.952 120.400 -0.121 0.000 2.057 697 K HA -0.019 4.289 4.320 -0.020 0.000 0.207 697 K C 2.262 178.750 176.600 -0.187 0.000 1.049 697 K CA 1.168 57.385 56.287 -0.117 0.000 0.931 697 K CB -0.269 32.181 32.500 -0.082 0.000 0.714 697 K HN 0.312 nan 8.250 nan 0.000 0.440 698 I N 0.520 120.891 120.570 -0.332 0.000 2.202 698 I HA -0.252 3.905 4.170 -0.020 0.000 0.242 698 I C 2.172 178.001 176.117 -0.479 0.000 1.091 698 I CA 0.815 61.827 61.300 -0.481 0.000 1.368 698 I CB -0.138 37.299 38.000 -0.938 0.000 1.058 698 I HN -0.014 nan 8.210 nan 0.000 0.410 699 V N 1.143 120.739 119.914 -0.531 0.000 2.392 699 V HA -0.252 3.856 4.120 -0.020 0.000 0.249 699 V C 2.549 178.560 176.094 -0.139 0.000 1.059 699 V CA 2.214 64.332 62.300 -0.303 0.000 1.051 699 V CB -1.421 30.309 31.823 -0.154 0.000 0.658 699 V HN 0.598 nan 8.190 nan 0.000 0.455 700 G N -0.558 108.169 108.800 -0.122 0.000 2.402 700 G HA2 -0.204 3.743 3.960 -0.020 0.000 0.216 700 G HA3 -0.204 3.743 3.960 -0.020 0.000 0.216 700 G C 1.445 176.314 174.900 -0.051 0.000 1.162 700 G CA 0.764 45.827 45.100 -0.061 0.000 0.777 700 G HN 0.581 nan 8.290 nan 0.000 0.539 701 E N 0.149 120.306 120.200 -0.072 0.000 2.110 701 E HA -0.031 4.307 4.350 -0.020 0.000 0.193 701 E C 2.552 179.141 176.600 -0.019 0.000 0.988 701 E CA 0.476 56.853 56.400 -0.039 0.000 0.804 701 E CB -0.183 29.494 29.700 -0.039 0.000 0.745 701 E HN 0.386 nan 8.360 nan 0.000 0.458 702 L N 0.605 121.805 121.223 -0.038 0.000 2.056 702 L HA -0.137 4.191 4.340 -0.020 0.000 0.207 702 L C 2.600 179.484 176.870 0.023 0.000 1.078 702 L CA 0.934 55.775 54.840 0.002 0.000 0.749 702 L CB -0.460 41.588 42.059 -0.018 0.000 0.901 702 L HN 0.136 nan 8.230 nan 0.000 0.433 703 A N 0.066 122.895 122.820 0.015 0.000 1.969 703 A HA -0.092 4.216 4.320 -0.020 0.000 0.218 703 A C 2.466 180.074 177.584 0.039 0.000 1.169 703 A CA 1.447 53.511 52.037 0.044 0.000 0.635 703 A CB -0.554 18.469 19.000 0.039 0.000 0.810 703 A HN 0.388 nan 8.150 nan 0.000 0.445 704 A N -0.448 122.383 122.820 0.019 0.000 2.121 704 A HA 0.285 4.593 4.320 -0.020 0.000 0.218 704 A C 2.146 179.740 177.584 0.016 0.000 1.154 704 A CA 1.472 53.518 52.037 0.014 0.000 0.679 704 A CB -0.582 18.420 19.000 0.004 0.000 0.795 704 A HN 0.985 nan 8.150 nan 0.000 0.458 705 A N -1.049 121.787 122.820 0.027 0.000 2.238 705 A HA 0.192 4.500 4.320 -0.020 0.000 0.208 705 A C 1.009 178.606 177.584 0.022 0.000 1.177 705 A CA 0.054 52.106 52.037 0.024 0.000 0.804 705 A CB -0.078 18.951 19.000 0.047 0.000 0.823 705 A HN 0.654 nan 8.150 nan 0.000 0.482 706 Q N -2.164 117.665 119.800 0.047 0.000 2.205 706 Q HA 0.500 4.828 4.340 -0.020 0.000 0.249 706 Q C 0.825 176.847 176.000 0.036 0.000 0.948 706 Q CA 0.076 55.923 55.803 0.073 0.000 0.895 706 Q CB 1.228 30.061 28.738 0.158 0.000 1.249 706 Q HN 0.598 nan 8.270 nan 0.000 0.458 707 G N 0.815 109.631 108.800 0.028 0.000 2.176 707 G HA2 -0.214 3.733 3.960 -0.020 0.000 0.232 707 G HA3 -0.214 3.733 3.960 -0.020 0.000 0.232 707 G C -0.186 174.701 174.900 -0.021 0.000 0.986 707 G CA -0.150 44.951 45.100 0.002 0.000 0.643 707 G HN 0.399 nan 8.290 nan 0.000 0.522 708 K N 0.004 120.378 120.400 -0.042 0.000 2.480 708 K HA 0.558 4.865 4.320 -0.020 0.000 0.258 708 K C -3.011 173.532 176.600 -0.095 0.000 0.990 708 K CA -2.250 54.002 56.287 -0.058 0.000 0.857 708 K CB 2.640 35.108 32.500 -0.052 0.000 1.384 708 K HN -0.080 nan 8.250 nan 0.000 0.446 709 P HA 0.101 nan 4.420 nan 0.000 0.271 709 P C -1.089 176.119 177.300 -0.152 0.000 1.218 709 P CA -0.412 62.624 63.100 -0.108 0.000 0.780 709 P CB 0.614 32.273 31.700 -0.068 0.000 0.901 710 V N 2.315 122.101 119.914 -0.213 0.000 2.487 710 V HA 0.347 4.455 4.120 -0.020 0.000 0.298 710 V C -0.455 175.556 176.094 -0.140 0.000 1.028 710 V CA -0.309 61.843 62.300 -0.248 0.000 0.860 710 V CB 1.793 33.283 31.823 -0.555 0.000 0.991 710 V HN 0.497 nan 8.190 nan 0.000 0.427 711 D N 4.198 124.548 120.400 -0.084 0.000 2.425 711 D HA 0.438 5.066 4.640 -0.020 0.000 0.240 711 D C 0.436 176.723 176.300 -0.022 0.000 1.080 711 D CA -0.489 53.490 54.000 -0.036 0.000 0.836 711 D CB 1.331 42.115 40.800 -0.026 0.000 1.125 711 D HN 0.554 nan 8.370 nan 0.000 0.525 712 I N 1.145 121.714 120.570 -0.002 0.000 3.927 712 I HA 0.543 4.700 4.170 -0.020 0.000 0.332 712 I C 0.601 176.717 176.117 -0.002 0.000 1.485 712 I CA -0.624 60.669 61.300 -0.011 0.000 1.131 712 I CB 0.156 38.145 38.000 -0.017 0.000 1.092 712 I HN 0.427 nan 8.210 nan 0.000 0.410 713 A N 1.090 123.920 122.820 0.016 0.000 2.610 713 A HA 0.152 4.460 4.320 -0.020 0.000 0.299 713 A C 0.721 178.341 177.584 0.059 0.000 1.487 713 A CA 0.762 52.821 52.037 0.036 0.000 0.743 713 A CB -1.972 17.048 19.000 0.033 0.000 1.070 713 A HN 1.710 nan 8.150 nan 0.000 0.439 714 G N -2.937 105.905 108.800 0.070 0.000 2.359 714 G HA2 0.480 4.428 3.960 -0.020 0.000 0.293 714 G HA3 0.480 4.428 3.960 -0.020 0.000 0.293 714 G C -0.455 174.517 174.900 0.120 0.000 1.300 714 G CA 0.273 45.437 45.100 0.105 0.000 0.888 714 G HN 1.528 nan 8.290 nan 0.000 0.541 715 Y N -1.747 118.525 120.300 -0.047 0.000 3.147 715 Y HA 0.338 4.876 4.550 -0.021 0.000 0.219 715 Y C 2.312 178.076 175.900 -0.228 0.000 1.021 715 Y CA 0.684 58.670 58.100 -0.190 0.000 1.440 715 Y CB -0.078 38.179 38.460 -0.338 0.000 1.472 715 Y HN 0.442 nan 8.280 nan 0.000 0.408 716 Y N -0.581 119.848 120.300 0.214 0.000 2.420 716 Y HA 0.059 4.595 4.550 -0.023 0.000 0.292 716 Y C 0.964 176.929 175.900 0.109 0.000 1.119 716 Y CA 1.577 59.745 58.100 0.114 0.000 1.229 716 Y CB 0.337 38.884 38.460 0.145 0.000 1.026 716 Y HN 0.146 nan 8.280 nan 0.000 0.554 717 H N 0.615 119.760 119.070 0.125 0.000 2.600 717 H HA 0.195 4.739 4.556 -0.021 0.000 0.224 717 H C -3.000 172.364 175.328 0.061 0.000 1.413 717 H CA -1.850 54.237 56.048 0.066 0.000 1.401 717 H CB 0.981 30.755 29.762 0.020 0.000 1.772 717 H HN 0.011 nan 8.280 nan 0.000 0.528 718 P HA -0.015 nan 4.420 nan 0.000 0.274 718 P C 0.164 177.410 177.300 -0.090 0.000 1.246 718 P CA -0.411 62.661 63.100 -0.046 0.000 0.795 718 P CB 1.269 32.923 31.700 -0.077 0.000 1.006 719 N N 0.748 119.423 118.700 -0.042 0.000 2.438 719 N HA -0.025 4.703 4.740 -0.020 0.000 0.267 719 N C 1.290 176.764 175.510 -0.059 0.000 1.222 719 N CA 0.412 53.444 53.050 -0.031 0.000 0.930 719 N CB 0.481 38.967 38.487 -0.003 0.000 1.083 719 N HN 0.385 nan 8.380 nan 0.000 0.476 720 T N 0.872 115.413 114.554 -0.022 0.000 2.833 720 T HA -0.131 4.207 4.350 -0.020 0.000 0.269 720 T C 1.008 175.717 174.700 0.017 0.000 1.054 720 T CA 1.075 63.202 62.100 0.044 0.000 1.135 720 T CB 0.027 68.980 68.868 0.141 0.000 0.869 720 T HN 0.400 nan 8.240 nan 0.000 0.466 721 D N 1.533 121.939 120.400 0.010 0.000 2.097 721 D HA 0.029 4.657 4.640 -0.020 0.000 0.197 721 D C 2.219 178.500 176.300 -0.031 0.000 0.984 721 D CA 0.892 54.896 54.000 0.006 0.000 0.826 721 D CB -0.363 40.444 40.800 0.012 0.000 0.973 721 D HN 0.370 nan 8.370 nan 0.000 0.460 722 L N 0.703 121.898 121.223 -0.047 0.000 2.046 722 L HA -0.145 4.182 4.340 -0.020 0.000 0.208 722 L C 2.511 179.319 176.870 -0.103 0.000 1.077 722 L CA 1.141 55.948 54.840 -0.055 0.000 0.747 722 L CB -0.636 41.398 42.059 -0.040 0.000 0.896 722 L HN 0.034 nan 8.230 nan 0.000 0.432 723 T N -1.498 112.927 114.554 -0.216 0.000 2.777 723 T HA -0.191 4.147 4.350 -0.020 0.000 0.266 723 T C 2.146 176.578 174.700 -0.447 0.000 1.040 723 T CA 1.611 63.464 62.100 -0.412 0.000 1.141 723 T CB -0.160 68.216 68.868 -0.819 0.000 0.868 723 T HN 0.271 nan 8.240 nan 0.000 0.444 724 S N 0.616 116.100 115.700 -0.359 0.000 2.359 724 S HA -0.158 4.299 4.470 -0.020 0.000 0.224 724 S C 2.083 176.680 174.600 -0.006 0.000 1.035 724 S CA 1.443 59.615 58.200 -0.046 0.000 1.018 724 S CB -0.212 63.067 63.200 0.130 0.000 0.876 724 S HN 0.245 nan 8.310 nan 0.000 0.448 725 K N 1.302 121.691 120.400 -0.019 0.000 2.032 725 K HA 0.104 4.412 4.320 -0.020 0.000 0.209 725 K C 2.244 178.858 176.600 0.024 0.000 1.048 725 K CA 1.469 57.759 56.287 0.005 0.000 0.927 725 K CB -0.783 31.715 32.500 -0.003 0.000 0.712 725 K HN 0.411 nan 8.250 nan 0.000 0.441 726 A N -0.043 122.791 122.820 0.025 0.000 1.930 726 A HA -0.125 4.183 4.320 -0.020 0.000 0.217 726 A C 1.876 179.556 177.584 0.159 0.000 1.175 726 A CA 1.437 53.533 52.037 0.098 0.000 0.627 726 A CB -0.308 18.785 19.000 0.154 0.000 0.815 726 A HN 0.165 nan 8.150 nan 0.000 0.443 727 M N -0.720 118.935 119.600 0.092 0.000 2.558 727 M HA 0.101 4.568 4.480 -0.020 0.000 0.255 727 M C 0.353 176.721 176.300 0.113 0.000 1.113 727 M CA 0.789 56.143 55.300 0.090 0.000 1.097 727 M CB -0.513 32.112 32.600 0.042 0.000 1.426 727 M HN 0.265 nan 8.290 nan 0.000 0.488 728 R N 0.693 121.249 120.500 0.093 0.000 2.738 728 R HA 0.220 4.548 4.340 -0.020 0.000 0.280 728 R C -1.828 174.516 176.300 0.073 0.000 1.456 728 R CA -0.830 55.321 56.100 0.085 0.000 1.612 728 R CB 0.492 30.822 30.300 0.049 0.000 1.286 728 R HN 0.021 nan 8.270 nan 0.000 0.660 729 P HA -0.040 nan 4.420 nan 0.000 0.241 729 P C 0.153 177.490 177.300 0.061 0.000 1.191 729 P CA 0.485 63.623 63.100 0.063 0.000 0.771 729 P CB 0.542 32.279 31.700 0.062 0.000 0.929 730 S N -0.106 115.650 115.700 0.093 0.000 2.404 730 S HA 0.508 4.966 4.470 -0.020 0.000 0.309 730 S C 1.371 176.025 174.600 0.090 0.000 1.076 730 S CA -0.275 57.981 58.200 0.092 0.000 1.095 730 S CB 0.247 63.531 63.200 0.141 0.000 0.972 730 S HN 0.102 nan 8.310 nan 0.000 0.484 731 A N 4.553 127.403 122.820 0.049 0.000 1.969 731 A HA -0.008 4.300 4.320 -0.020 0.000 0.218 731 A C 2.137 179.752 177.584 0.051 0.000 1.169 731 A CA 2.020 54.079 52.037 0.037 0.000 0.635 731 A CB -1.114 17.898 19.000 0.019 0.000 0.810 731 A HN 0.749 nan 8.150 nan 0.000 0.445 732 T N -0.630 113.957 114.554 0.056 0.000 2.777 732 T HA -0.090 4.247 4.350 -0.020 0.000 0.266 732 T C 1.640 176.431 174.700 0.151 0.000 1.040 732 T CA 1.385 63.521 62.100 0.061 0.000 1.141 732 T CB -0.343 68.531 68.868 0.010 0.000 0.868 732 T HN 0.445 nan 8.240 nan 0.000 0.444 733 F N 3.388 123.322 119.950 -0.027 0.000 2.113 733 F HA -0.055 4.459 4.527 -0.023 0.000 0.297 733 F C 1.952 177.779 175.800 0.045 0.000 1.103 733 F CA 0.777 58.791 58.000 0.023 0.000 1.248 733 F CB -0.938 38.077 39.000 0.026 0.000 0.999 733 F HN 0.069 nan 8.300 nan 0.000 0.475 734 N N 0.964 119.695 118.700 0.051 0.000 2.104 734 N HA -0.163 4.565 4.740 -0.020 0.000 0.190 734 N C 2.033 177.525 175.510 -0.031 0.000 1.024 734 N CA 1.696 54.695 53.050 -0.084 0.000 0.853 734 N CB -0.932 37.525 38.487 -0.050 0.000 1.008 734 N HN 0.367 nan 8.380 nan 0.000 0.424 735 A N 0.929 123.761 122.820 0.020 0.000 1.930 735 A HA 0.112 4.420 4.320 -0.020 0.000 0.217 735 A C 2.340 179.936 177.584 0.020 0.000 1.175 735 A CA 1.657 53.700 52.037 0.011 0.000 0.627 735 A CB -0.713 18.297 19.000 0.016 0.000 0.815 735 A HN 0.313 nan 8.150 nan 0.000 0.443 736 A N -0.407 122.460 122.820 0.079 0.000 2.019 736 A HA 0.021 4.329 4.320 -0.020 0.000 0.219 736 A C 1.882 179.492 177.584 0.043 0.000 1.164 736 A CA 1.383 53.477 52.037 0.095 0.000 0.644 736 A CB -0.436 18.694 19.000 0.216 0.000 0.805 736 A HN 0.478 nan 8.150 nan 0.000 0.449 737 L N -1.293 119.939 121.223 0.015 0.000 2.607 737 L HA 0.142 4.470 4.340 -0.020 0.000 0.228 737 L C 2.626 179.432 176.870 -0.106 0.000 1.123 737 L CA 0.366 55.170 54.840 -0.059 0.000 0.890 737 L CB -0.317 41.708 42.059 -0.058 0.000 1.103 737 L HN 0.382 nan 8.230 nan 0.000 0.468 738 A N 1.553 124.325 122.820 -0.080 0.000 1.917 738 A HA -0.147 4.161 4.320 -0.020 0.000 0.219 738 A C 0.096 177.616 177.584 -0.107 0.000 1.182 738 A CA 1.686 53.673 52.037 -0.083 0.000 0.633 738 A CB -1.672 17.292 19.000 -0.059 0.000 0.819 738 A HN 0.308 nan 8.150 nan 0.000 0.448 739 P HA 0.000 nan 4.420 nan 0.000 0.225 739 P C 0.036 177.216 177.300 -0.201 0.000 1.148 739 P CA 0.487 63.496 63.100 -0.152 0.000 0.779 739 P CB -0.112 31.489 31.700 -0.164 0.000 0.780 740 L N -0.274 120.807 121.223 -0.238 0.000 2.477 740 L HA 0.268 4.596 4.340 -0.020 0.000 0.272 740 L C 0.663 177.417 176.870 -0.193 0.000 1.157 740 L CA -0.331 54.337 54.840 -0.286 0.000 0.889 740 L CB 0.037 41.897 42.059 -0.332 0.000 1.158 740 L HN 0.027 nan 8.230 nan 0.000 0.473 741 A N 0.000 122.707 122.820 -0.188 0.000 2.254 741 A HA 0.000 4.308 4.320 -0.020 0.000 0.244 741 A CA 0.000 51.963 52.037 -0.124 0.000 0.836 741 A CB 0.000 18.936 19.000 -0.106 0.000 0.831 741 A HN 0.000 nan 8.150 nan 0.000 0.486