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 1pf9_1_H DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLP 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 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.578 177.584 -0.009 0.000 1.274 2 A CA 0.000 52.031 52.037 -0.010 0.000 0.836 2 A CB 0.000 18.990 19.000 -0.017 0.000 0.831 3 A N 3.488 126.305 122.820 -0.005 0.000 2.488 3 A HA 0.582 4.902 4.320 -0.000 0.000 0.249 3 A C 0.391 177.972 177.584 -0.006 0.000 1.083 3 A CA 0.103 52.140 52.037 -0.000 0.000 0.768 3 A CB 0.158 19.161 19.000 0.006 0.000 1.017 3 A HN 0.628 nan 8.150 nan 0.000 0.496 4 K N 1.519 121.918 120.400 -0.003 0.000 2.139 4 K HA 0.396 4.716 4.320 -0.000 0.000 0.243 4 K C -1.127 175.481 176.600 0.013 0.000 0.983 4 K CA -0.695 55.585 56.287 -0.013 0.000 0.890 4 K CB 1.233 33.721 32.500 -0.020 0.000 1.090 4 K HN 0.692 nan 8.250 nan 0.000 0.445 5 D N 1.072 121.480 120.400 0.014 0.000 2.349 5 D HA 0.273 4.913 4.640 -0.000 0.000 0.232 5 D C -1.243 175.163 176.300 0.177 0.000 1.071 5 D CA -0.603 53.458 54.000 0.102 0.000 0.832 5 D CB 1.103 41.980 40.800 0.128 0.000 1.086 5 D HN 0.074 nan 8.370 nan 0.000 0.504 6 V N 4.242 124.236 119.914 0.134 0.000 2.384 6 V HA 0.443 4.563 4.120 -0.000 0.000 0.287 6 V C 0.283 176.330 176.094 -0.078 0.000 1.020 6 V CA -0.768 61.537 62.300 0.010 0.000 0.850 6 V CB 1.493 33.271 31.823 -0.076 0.000 0.987 6 V HN 0.374 nan 8.190 nan 0.000 0.436 7 K N 3.295 123.569 120.400 -0.210 0.000 2.259 7 K HA 0.745 5.065 4.320 -0.000 0.000 0.252 7 K C -1.499 174.824 176.600 -0.462 0.000 0.936 7 K CA -0.420 55.672 56.287 -0.326 0.000 0.810 7 K CB 1.846 33.967 32.500 -0.631 0.000 1.143 7 K HN 0.491 nan 8.250 nan 0.000 0.427 8 F N 0.649 120.559 119.950 -0.067 0.000 2.538 8 F HA 0.388 4.915 4.527 0.000 0.000 0.325 8 F C 1.361 177.134 175.800 -0.045 0.000 1.066 8 F CA 0.176 58.154 58.000 -0.036 0.000 0.946 8 F CB 1.798 40.786 39.000 -0.020 0.000 1.199 8 F HN 0.810 nan 8.300 nan 0.000 0.473 9 G N 2.115 111.033 108.800 0.195 0.000 2.693 9 G HA2 -0.504 3.456 3.960 -0.000 0.000 0.354 9 G HA3 -0.504 3.456 3.960 -0.000 0.000 0.354 9 G C 1.213 176.138 174.900 0.042 0.000 1.207 9 G CA 1.522 46.683 45.100 0.101 0.000 0.958 9 G HN 0.688 nan 8.290 nan 0.000 0.560 10 N N 1.104 119.822 118.700 0.030 0.000 2.039 10 N HA -0.035 4.705 4.740 -0.000 0.000 0.193 10 N C 1.901 177.396 175.510 -0.025 0.000 1.044 10 N CA 1.902 54.953 53.050 0.002 0.000 0.847 10 N CB -0.379 38.108 38.487 0.001 0.000 1.030 10 N HN 0.556 nan 8.380 nan 0.000 0.422 11 D N 0.449 120.828 120.400 -0.035 0.000 2.177 11 D HA -0.257 4.383 4.640 -0.000 0.000 0.189 11 D C 1.818 178.028 176.300 -0.151 0.000 1.002 11 D CA 1.803 55.745 54.000 -0.096 0.000 0.845 11 D CB -0.958 39.775 40.800 -0.111 0.000 0.960 11 D HN 0.342 nan 8.370 nan 0.000 0.447 12 A N 0.864 123.592 122.820 -0.153 0.000 1.915 12 A HA -0.296 4.024 4.320 -0.000 0.000 0.220 12 A C 2.207 179.736 177.584 -0.091 0.000 1.198 12 A CA 2.261 54.195 52.037 -0.172 0.000 0.647 12 A CB -0.603 18.335 19.000 -0.103 0.000 0.825 12 A HN 0.212 nan 8.150 nan 0.000 0.456 13 R N -1.173 119.299 120.500 -0.048 0.000 2.093 13 R HA 0.009 4.349 4.340 -0.000 0.000 0.224 13 R C 2.100 178.387 176.300 -0.022 0.000 1.101 13 R CA 1.127 57.215 56.100 -0.019 0.000 0.979 13 R CB -0.534 29.763 30.300 -0.005 0.000 0.877 13 R HN 0.406 nan 8.270 nan 0.000 0.441 14 V N 1.819 121.711 119.914 -0.036 0.000 2.255 14 V HA -0.291 3.829 4.120 -0.000 0.000 0.247 14 V C 2.255 178.332 176.094 -0.028 0.000 1.051 14 V CA 1.710 63.992 62.300 -0.030 0.000 1.018 14 V CB -0.381 31.421 31.823 -0.036 0.000 0.641 14 V HN 0.191 nan 8.190 nan 0.000 0.445 15 K N -0.531 119.835 120.400 -0.056 0.000 2.059 15 K HA -0.204 4.116 4.320 -0.000 0.000 0.212 15 K C 2.103 178.715 176.600 0.021 0.000 1.050 15 K CA 1.874 58.144 56.287 -0.028 0.000 0.927 15 K CB -0.729 31.714 32.500 -0.094 0.000 0.714 15 K HN 0.408 nan 8.250 nan 0.000 0.447 16 M N -0.054 119.557 119.600 0.019 0.000 2.108 16 M HA -0.203 4.277 4.480 -0.000 0.000 0.261 16 M C 2.171 178.486 176.300 0.026 0.000 1.066 16 M CA 1.185 56.507 55.300 0.037 0.000 1.107 16 M CB -0.322 32.297 32.600 0.031 0.000 1.356 16 M HN 0.068 nan 8.290 nan 0.000 0.406 17 L N 0.594 121.825 121.223 0.014 0.000 1.989 17 L HA -0.212 4.128 4.340 -0.000 0.000 0.211 17 L C 2.410 179.288 176.870 0.013 0.000 1.071 17 L CA 1.936 56.783 54.840 0.012 0.000 0.749 17 L CB -0.596 41.466 42.059 0.005 0.000 0.890 17 L HN 0.178 nan 8.230 nan 0.000 0.431 18 R N -0.541 119.966 120.500 0.012 0.000 2.081 18 R HA -0.109 4.231 4.340 -0.000 0.000 0.235 18 R C 2.229 178.540 176.300 0.020 0.000 1.131 18 R CA 1.189 57.297 56.100 0.014 0.000 0.960 18 R CB -1.239 29.069 30.300 0.014 0.000 0.856 18 R HN 0.588 nan 8.270 nan 0.000 0.436 19 G N 1.289 110.106 108.800 0.028 0.000 2.553 19 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.218 19 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.218 19 G C 1.490 176.402 174.900 0.021 0.000 1.195 19 G CA 1.292 46.410 45.100 0.030 0.000 0.779 19 G HN 0.319 nan 8.290 nan 0.000 0.577 20 V N 0.983 120.910 119.914 0.021 0.000 2.287 20 V HA -0.228 3.892 4.120 -0.000 0.000 0.248 20 V C 2.216 178.318 176.094 0.013 0.000 1.053 20 V CA 2.891 65.201 62.300 0.016 0.000 1.027 20 V CB -0.911 30.923 31.823 0.018 0.000 0.646 20 V HN 0.516 nan 8.190 nan 0.000 0.447 21 N N -0.133 118.574 118.700 0.012 0.000 2.094 21 N HA -0.174 4.566 4.740 -0.000 0.000 0.191 21 N C 1.792 177.307 175.510 0.009 0.000 1.023 21 N CA 1.815 54.871 53.050 0.010 0.000 0.857 21 N CB -0.321 38.171 38.487 0.009 0.000 1.013 21 N HN 0.469 nan 8.380 nan 0.000 0.426 22 V N 1.572 121.492 119.914 0.010 0.000 2.295 22 V HA -0.208 3.912 4.120 -0.000 0.000 0.246 22 V C 2.216 178.314 176.094 0.006 0.000 1.049 22 V CA 1.272 63.577 62.300 0.008 0.000 1.024 22 V CB -0.565 31.264 31.823 0.009 0.000 0.648 22 V HN 0.403 nan 8.190 nan 0.000 0.447 23 L N 0.150 121.377 121.223 0.007 0.000 1.971 23 L HA -0.238 4.102 4.340 -0.000 0.000 0.215 23 L C 2.583 179.456 176.870 0.004 0.000 1.072 23 L CA 2.570 57.413 54.840 0.004 0.000 0.758 23 L CB -0.777 41.285 42.059 0.005 0.000 0.889 23 L HN 0.387 nan 8.230 nan 0.000 0.433 24 A N -0.734 122.089 122.820 0.006 0.000 1.972 24 A HA -0.227 4.093 4.320 -0.000 0.000 0.219 24 A C 1.791 179.379 177.584 0.005 0.000 1.169 24 A CA 1.810 53.851 52.037 0.006 0.000 0.635 24 A CB -0.520 18.485 19.000 0.008 0.000 0.810 24 A HN 0.522 nan 8.150 nan 0.000 0.446 25 D N -0.106 120.297 120.400 0.005 0.000 2.224 25 D HA 0.037 4.677 4.640 -0.000 0.000 0.205 25 D C 2.101 178.403 176.300 0.004 0.000 0.965 25 D CA 1.293 55.296 54.000 0.005 0.000 0.852 25 D CB -0.212 40.590 40.800 0.005 0.000 0.947 25 D HN 0.440 nan 8.370 nan 0.000 0.494 26 A N 0.270 123.092 122.820 0.003 0.000 1.930 26 A HA -0.024 4.296 4.320 -0.000 0.000 0.215 26 A C 2.245 179.829 177.584 0.001 0.000 1.176 26 A CA 0.706 52.744 52.037 0.002 0.000 0.632 26 A CB -0.322 18.678 19.000 0.001 0.000 0.819 26 A HN 0.178 nan 8.150 nan 0.000 0.445 27 V N 0.793 120.708 119.914 0.001 0.000 2.878 27 V HA -0.082 4.038 4.120 -0.000 0.000 0.250 27 V C 2.298 178.392 176.094 0.000 0.000 1.075 27 V CA 1.965 64.265 62.300 -0.001 0.000 1.096 27 V CB -0.367 31.455 31.823 -0.002 0.000 0.724 27 V HN 0.763 nan 8.190 nan 0.000 0.467 28 K N 0.697 121.098 120.400 0.002 0.000 2.365 28 K HA -0.036 4.284 4.320 -0.000 0.000 0.199 28 K C 1.539 178.142 176.600 0.005 0.000 1.045 28 K CA 1.701 57.990 56.287 0.004 0.000 0.962 28 K CB -0.444 32.059 32.500 0.006 0.000 0.759 28 K HN 0.498 nan 8.250 nan 0.000 0.469 29 V N -0.117 119.799 119.914 0.004 0.000 3.444 29 V HA -0.049 4.071 4.120 -0.000 0.000 0.271 29 V C 1.625 177.721 176.094 0.003 0.000 1.188 29 V CA 1.305 63.607 62.300 0.004 0.000 1.168 29 V CB -1.002 30.823 31.823 0.003 0.000 0.810 29 V HN 0.504 nan 8.190 nan 0.000 0.500 30 T N -3.333 111.223 114.554 0.002 0.000 3.134 30 T HA 0.268 4.618 4.350 -0.000 0.000 0.260 30 T C 1.287 175.987 174.700 0.000 0.000 1.027 30 T CA 0.360 62.461 62.100 0.000 0.000 0.913 30 T CB 0.584 69.451 68.868 -0.001 0.000 1.046 30 T HN 0.321 nan 8.240 nan 0.000 0.553 31 L N 2.541 123.765 121.223 0.003 0.000 2.023 31 L HA 0.418 4.758 4.340 -0.000 0.000 0.205 31 L C 1.565 178.436 176.870 0.002 0.000 1.073 31 L CA 1.295 56.136 54.840 0.003 0.000 0.745 31 L CB -1.249 40.813 42.059 0.006 0.000 0.900 31 L HN 0.386 nan 8.230 nan 0.000 0.435 32 G N -0.612 108.191 108.800 0.005 0.000 2.661 32 G HA2 0.080 4.040 3.960 -0.000 0.000 0.272 32 G HA3 0.080 4.040 3.960 -0.000 0.000 0.272 32 G C -1.591 173.304 174.900 -0.009 0.000 1.296 32 G CA 0.125 45.227 45.100 0.002 0.000 0.998 32 G HN 0.387 nan 8.290 nan 0.000 0.553 33 P HA 0.025 nan 4.420 nan 0.000 0.234 33 P C 0.443 177.730 177.300 -0.021 0.000 1.167 33 P CA 1.096 64.180 63.100 -0.026 0.000 0.763 33 P CB 0.357 32.030 31.700 -0.045 0.000 0.835 34 K N 0.348 120.740 120.400 -0.014 0.000 3.202 34 K HA 0.319 4.639 4.320 -0.000 0.000 0.206 34 K C 0.732 177.331 176.600 -0.002 0.000 1.142 34 K CA -0.406 55.876 56.287 -0.009 0.000 0.979 34 K CB 0.841 33.336 32.500 -0.007 0.000 0.863 34 K HN -0.005 nan 8.250 nan 0.000 0.479 35 G N 0.802 109.601 108.800 -0.003 0.000 2.667 35 G HA2 0.135 4.095 3.960 -0.000 0.000 0.250 35 G HA3 0.135 4.095 3.960 -0.000 0.000 0.250 35 G C 0.062 174.962 174.900 0.000 0.000 1.212 35 G CA -0.456 44.644 45.100 0.000 0.000 0.874 35 G HN 0.159 nan 8.290 nan 0.000 0.561 36 R N -0.234 120.267 120.500 0.001 0.000 2.607 36 R HA 0.290 4.630 4.340 -0.000 0.000 0.261 36 R C 0.092 176.392 176.300 0.000 0.000 1.051 36 R CA -0.742 55.359 56.100 0.001 0.000 1.110 36 R CB 0.556 30.858 30.300 0.002 0.000 1.158 36 R HN 0.648 nan 8.270 nan 0.000 0.543 37 N N 0.057 118.757 118.700 0.000 0.000 2.509 37 N HA 0.288 5.028 4.740 -0.000 0.000 0.287 37 N C -0.630 174.880 175.510 0.000 0.000 1.121 37 N CA -0.492 52.558 53.050 0.000 0.000 0.977 37 N CB 1.856 40.343 38.487 -0.000 0.000 1.167 37 N HN 0.065 nan 8.380 nan 0.000 0.476 38 V N 1.576 121.490 119.914 0.000 0.000 2.513 38 V HA 0.290 4.410 4.120 -0.000 0.000 0.299 38 V C 0.105 176.199 176.094 0.000 0.000 1.035 38 V CA -0.824 61.476 62.300 0.000 0.000 0.889 38 V CB 2.055 33.877 31.823 -0.000 0.000 0.988 38 V HN 0.349 nan 8.190 nan 0.000 0.440 39 V N 5.845 125.759 119.914 0.000 0.000 2.394 39 V HA 0.430 4.550 4.120 -0.000 0.000 0.282 39 V C -0.561 175.534 176.094 0.000 0.000 1.031 39 V CA -0.520 61.781 62.300 0.001 0.000 0.881 39 V CB 1.408 33.231 31.823 0.000 0.000 0.982 39 V HN 0.495 nan 8.190 nan 0.000 0.451 40 L N 4.293 125.517 121.223 0.002 0.000 2.316 40 L HA 0.504 4.843 4.340 -0.000 0.000 0.280 40 L C -0.007 176.865 176.870 0.004 0.000 1.006 40 L CA -0.346 54.495 54.840 0.002 0.000 0.836 40 L CB 1.079 43.140 42.059 0.003 0.000 1.221 40 L HN 0.582 nan 8.230 nan 0.000 0.418 41 D N 3.226 123.627 120.400 0.001 0.000 2.400 41 D HA 0.139 4.779 4.640 -0.000 0.000 0.238 41 D C -0.174 176.131 176.300 0.007 0.000 1.157 41 D CA 0.509 54.509 54.000 -0.000 0.000 0.889 41 D CB 0.835 41.630 40.800 -0.009 0.000 1.199 41 D HN 0.246 nan 8.370 nan 0.000 0.436 42 K N 1.368 121.776 120.400 0.013 0.000 2.507 42 K HA 0.192 4.512 4.320 -0.000 0.000 0.251 42 K C 0.767 177.388 176.600 0.036 0.000 0.943 42 K CA -0.484 55.827 56.287 0.039 0.000 0.794 42 K CB 1.261 33.792 32.500 0.053 0.000 1.188 42 K HN 0.380 nan 8.250 nan 0.000 0.428 43 S N 2.908 118.629 115.700 0.035 0.000 2.401 43 S HA -0.175 4.295 4.470 -0.000 0.000 0.236 43 S C 0.671 175.152 174.600 -0.198 0.000 1.058 43 S CA 1.505 59.632 58.200 -0.121 0.000 1.151 43 S CB -0.377 62.720 63.200 -0.172 0.000 1.049 43 S HN 0.475 nan 8.310 nan 0.000 0.432 44 F N 1.229 121.177 119.950 -0.002 0.000 2.399 44 F HA 0.609 5.136 4.527 -0.000 0.000 0.328 44 F C 1.266 177.065 175.800 -0.002 0.000 1.084 44 F CA -0.180 57.819 58.000 -0.002 0.000 1.053 44 F CB 0.205 39.204 39.000 -0.001 0.000 1.209 44 F HN 0.508 nan 8.300 nan 0.000 0.502 45 G N 0.498 109.397 108.800 0.165 0.000 2.698 45 G HA2 0.168 4.128 3.960 -0.000 0.000 0.233 45 G HA3 0.168 4.128 3.960 -0.000 0.000 0.233 45 G C -0.550 174.382 174.900 0.053 0.000 1.352 45 G CA -0.706 44.451 45.100 0.095 0.000 0.879 45 G HN 1.173 nan 8.290 nan 0.000 0.567 46 A N 1.105 123.949 122.820 0.040 0.000 2.351 46 A HA 0.746 5.066 4.320 -0.000 0.000 0.257 46 A C -0.713 176.884 177.584 0.023 0.000 1.087 46 A CA 0.080 52.131 52.037 0.024 0.000 0.798 46 A CB -0.143 18.868 19.000 0.019 0.000 1.033 46 A HN 0.928 nan 8.150 nan 0.000 0.488 47 P HA 0.255 nan 4.420 nan 0.000 0.274 47 P C -0.361 176.947 177.300 0.012 0.000 1.260 47 P CA -0.082 63.025 63.100 0.012 0.000 0.793 47 P CB 0.339 32.042 31.700 0.005 0.000 1.048 48 T N 0.876 115.436 114.554 0.010 0.000 2.758 48 T HA 0.510 4.860 4.350 -0.000 0.000 0.285 48 T C 0.141 174.845 174.700 0.005 0.000 0.981 48 T CA -0.324 61.781 62.100 0.009 0.000 0.965 48 T CB -0.113 68.761 68.868 0.010 0.000 0.927 48 T HN 0.158 nan 8.240 nan 0.000 0.448 49 I N 2.925 123.498 120.570 0.004 0.000 2.336 49 I HA 0.538 4.708 4.170 -0.000 0.000 0.292 49 I C 0.522 176.640 176.117 0.002 0.000 0.991 49 I CA -0.492 60.810 61.300 0.003 0.000 1.227 49 I CB 1.658 39.660 38.000 0.002 0.000 1.366 49 I HN 0.436 nan 8.210 nan 0.000 0.466 50 T N 4.350 118.905 114.554 0.001 0.000 2.923 50 T HA 0.351 4.701 4.350 -0.000 0.000 0.311 50 T C -0.095 174.605 174.700 -0.001 0.000 1.183 50 T CA -0.619 61.481 62.100 0.000 0.000 1.020 50 T CB 1.607 70.475 68.868 0.000 0.000 1.165 50 T HN 0.667 nan 8.240 nan 0.000 0.482 51 K N 1.601 122.000 120.400 -0.002 0.000 2.455 51 K HA 0.193 4.513 4.320 -0.000 0.000 0.206 51 K C -0.533 176.065 176.600 -0.003 0.000 1.027 51 K CA -0.250 56.035 56.287 -0.002 0.000 1.113 51 K CB 0.483 32.981 32.500 -0.003 0.000 0.850 51 K HN 0.380 nan 8.250 nan 0.000 0.503 52 D N 0.182 120.580 120.400 -0.003 0.000 2.467 52 D HA 0.106 4.746 4.640 -0.000 0.000 0.220 52 D C 1.115 177.411 176.300 -0.006 0.000 1.103 52 D CA -0.309 53.688 54.000 -0.005 0.000 0.886 52 D CB 1.195 41.992 40.800 -0.004 0.000 1.025 52 D HN 0.221 nan 8.370 nan 0.000 0.514 53 G N 2.445 111.241 108.800 -0.007 0.000 2.475 53 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.220 53 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.220 53 G C 1.510 176.404 174.900 -0.011 0.000 1.125 53 G CA 0.747 45.842 45.100 -0.008 0.000 0.755 53 G HN 0.476 nan 8.290 nan 0.000 0.565 54 V N 0.666 120.572 119.914 -0.013 0.000 2.358 54 V HA -0.164 3.956 4.120 -0.000 0.000 0.246 54 V C 3.088 179.174 176.094 -0.013 0.000 1.047 54 V CA 2.180 64.470 62.300 -0.017 0.000 1.035 54 V CB -0.407 31.404 31.823 -0.019 0.000 0.658 54 V HN 0.382 nan 8.190 nan 0.000 0.452 55 S N -0.172 115.523 115.700 -0.009 0.000 2.359 55 S HA -0.182 4.288 4.470 -0.000 0.000 0.224 55 S C 2.006 176.602 174.600 -0.006 0.000 1.035 55 S CA 1.645 59.841 58.200 -0.007 0.000 1.018 55 S CB -0.237 62.961 63.200 -0.004 0.000 0.876 55 S HN 0.376 nan 8.310 nan 0.000 0.448 56 V N 2.167 122.078 119.914 -0.006 0.000 2.233 56 V HA -0.242 3.878 4.120 -0.000 0.000 0.247 56 V C 2.678 178.768 176.094 -0.006 0.000 1.050 56 V CA 1.791 64.088 62.300 -0.005 0.000 1.010 56 V CB -1.396 30.425 31.823 -0.004 0.000 0.637 56 V HN 0.544 nan 8.190 nan 0.000 0.444 57 A N 0.310 123.125 122.820 -0.008 0.000 1.884 57 A HA -0.370 3.950 4.320 -0.000 0.000 0.219 57 A C 2.375 179.953 177.584 -0.011 0.000 1.197 57 A CA 2.728 54.758 52.037 -0.010 0.000 0.637 57 A CB -0.781 18.210 19.000 -0.014 0.000 0.827 57 A HN 0.535 nan 8.150 nan 0.000 0.450 58 R N -0.755 119.737 120.500 -0.013 0.000 2.154 58 R HA -0.233 4.107 4.340 -0.000 0.000 0.248 58 R C 1.769 178.063 176.300 -0.011 0.000 1.155 58 R CA 2.045 58.137 56.100 -0.013 0.000 0.979 58 R CB -0.213 30.079 30.300 -0.013 0.000 0.869 58 R HN 0.475 nan 8.270 nan 0.000 0.452 59 E N -0.131 120.064 120.200 -0.008 0.000 2.371 59 E HA 0.060 4.410 4.350 -0.000 0.000 0.194 59 E C -0.158 176.439 176.600 -0.005 0.000 1.012 59 E CA 0.211 56.608 56.400 -0.006 0.000 0.860 59 E CB 0.213 29.911 29.700 -0.003 0.000 0.811 59 E HN 0.212 nan 8.360 nan 0.000 0.502 60 I N 2.126 122.693 120.570 -0.006 0.000 2.436 60 I HA 0.138 4.308 4.170 -0.000 0.000 0.289 60 I C 0.204 176.318 176.117 -0.005 0.000 1.083 60 I CA 0.276 61.574 61.300 -0.004 0.000 1.372 60 I CB 0.051 38.050 38.000 -0.002 0.000 1.408 60 I HN 0.052 nan 8.210 nan 0.000 0.516 61 E N 7.617 127.815 120.200 -0.004 0.000 2.311 61 E HA 0.526 4.876 4.350 -0.000 0.000 0.281 61 E C -1.859 174.740 176.600 -0.002 0.000 0.905 61 E CA -0.605 55.792 56.400 -0.005 0.000 0.778 61 E CB 1.795 31.490 29.700 -0.008 0.000 1.240 61 E HN 0.452 nan 8.360 nan 0.000 0.410 62 L N 3.159 124.383 121.223 0.001 0.000 2.332 62 L HA 0.441 4.781 4.340 -0.000 0.000 0.269 62 L C 1.477 178.349 176.870 0.004 0.000 1.016 62 L CA -0.644 54.200 54.840 0.006 0.000 0.809 62 L CB 1.357 43.425 42.059 0.015 0.000 1.280 62 L HN 0.733 nan 8.230 nan 0.000 0.447 63 E N 0.169 120.374 120.200 0.008 0.000 2.046 63 E HA -0.152 4.198 4.350 -0.000 0.000 0.190 63 E C 0.403 177.010 176.600 0.012 0.000 0.982 63 E CA 0.429 56.833 56.400 0.006 0.000 0.800 63 E CB 0.278 29.983 29.700 0.008 0.000 0.756 63 E HN 0.631 nan 8.360 nan 0.000 0.449 64 D N 1.741 122.160 120.400 0.032 0.000 2.363 64 D HA -0.033 4.607 4.640 -0.000 0.000 0.263 64 D C -0.502 175.831 176.300 0.056 0.000 1.258 64 D CA 0.103 54.142 54.000 0.065 0.000 0.907 64 D CB 0.502 41.355 40.800 0.087 0.000 1.107 64 D HN 0.090 nan 8.370 nan 0.000 0.495 65 K N 2.942 123.340 120.400 -0.003 0.000 2.285 65 K HA 0.052 4.372 4.320 -0.000 0.000 0.255 65 K C 0.623 177.213 176.600 -0.017 0.000 1.000 65 K CA -0.387 55.831 56.287 -0.116 0.000 0.887 65 K CB 0.741 33.067 32.500 -0.290 0.000 0.997 65 K HN 0.407 nan 8.250 nan 0.000 0.510 66 F N -1.288 118.651 119.950 -0.019 0.000 2.522 66 F HA -0.354 4.173 4.527 -0.000 0.000 0.755 66 F C 2.003 177.794 175.800 -0.015 0.000 0.485 66 F CA 1.739 59.726 58.000 -0.022 0.000 0.774 66 F CB -1.409 37.578 39.000 -0.023 0.000 1.618 66 F HN 0.759 nan 8.300 nan 0.000 0.279 67 E N 0.267 120.603 120.200 0.228 0.000 2.086 67 E HA -0.327 4.023 4.350 -0.000 0.000 0.205 67 E C 1.629 178.271 176.600 0.070 0.000 1.027 67 E CA 1.977 58.443 56.400 0.109 0.000 0.830 67 E CB -0.376 29.374 29.700 0.084 0.000 0.751 67 E HN 0.466 nan 8.360 nan 0.000 0.456 68 N N -0.046 118.686 118.700 0.053 0.000 2.061 68 N HA -0.184 4.556 4.740 -0.000 0.000 0.193 68 N C 1.755 177.274 175.510 0.016 0.000 1.030 68 N CA 1.654 54.716 53.050 0.019 0.000 0.856 68 N CB -0.046 38.438 38.487 -0.005 0.000 1.023 68 N HN 0.136 nan 8.380 nan 0.000 0.424 69 M N -0.746 118.866 119.600 0.021 0.000 2.159 69 M HA -0.052 4.428 4.480 -0.000 0.000 0.263 69 M C 2.217 178.535 176.300 0.031 0.000 1.063 69 M CA 1.551 56.860 55.300 0.016 0.000 1.110 69 M CB -0.702 31.911 32.600 0.022 0.000 1.374 69 M HN 0.315 nan 8.290 nan 0.000 0.411 70 G N 0.411 109.241 108.800 0.049 0.000 2.514 70 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.217 70 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.217 70 G C 1.632 176.547 174.900 0.026 0.000 1.198 70 G CA 1.283 46.407 45.100 0.040 0.000 0.780 70 G HN 0.544 nan 8.290 nan 0.000 0.565 71 A N -0.363 122.470 122.820 0.022 0.000 1.902 71 A HA -0.067 4.253 4.320 -0.000 0.000 0.217 71 A C 2.413 180.001 177.584 0.007 0.000 1.181 71 A CA 2.061 54.105 52.037 0.013 0.000 0.623 71 A CB -0.404 18.603 19.000 0.011 0.000 0.818 71 A HN 0.326 nan 8.150 nan 0.000 0.443 72 Q N -0.734 119.069 119.800 0.005 0.000 2.170 72 Q HA -0.121 4.219 4.340 -0.000 0.000 0.203 72 Q C 2.081 178.081 176.000 -0.000 0.000 0.976 72 Q CA 1.544 57.345 55.803 -0.002 0.000 0.858 72 Q CB -0.503 28.231 28.738 -0.007 0.000 0.907 72 Q HN 0.787 nan 8.270 nan 0.000 0.433 73 M N -0.600 119.005 119.600 0.008 0.000 2.067 73 M HA -0.156 4.324 4.480 -0.000 0.000 0.260 73 M C 2.246 178.554 176.300 0.013 0.000 1.069 73 M CA 1.175 56.483 55.300 0.013 0.000 1.117 73 M CB -0.280 32.333 32.600 0.021 0.000 1.334 73 M HN -0.039 nan 8.290 nan 0.000 0.407 74 V N 0.349 120.271 119.914 0.013 0.000 2.295 74 V HA -0.291 3.828 4.120 -0.000 0.000 0.246 74 V C 2.189 178.281 176.094 -0.004 0.000 1.049 74 V CA 1.813 64.120 62.300 0.012 0.000 1.024 74 V CB -0.728 31.103 31.823 0.014 0.000 0.648 74 V HN 0.428 nan 8.190 nan 0.000 0.447 75 K N -0.339 120.055 120.400 -0.009 0.000 2.089 75 K HA -0.282 4.038 4.320 -0.000 0.000 0.210 75 K C 2.293 178.871 176.600 -0.037 0.000 1.048 75 K CA 2.050 58.324 56.287 -0.022 0.000 0.926 75 K CB -0.216 32.274 32.500 -0.017 0.000 0.714 75 K HN 0.528 nan 8.250 nan 0.000 0.448 76 E N 0.280 120.463 120.200 -0.028 0.000 2.051 76 E HA -0.172 4.178 4.350 -0.000 0.000 0.192 76 E C 1.987 178.542 176.600 -0.074 0.000 0.991 76 E CA 1.071 57.448 56.400 -0.039 0.000 0.799 76 E CB 0.129 29.818 29.700 -0.017 0.000 0.748 76 E HN 0.079 nan 8.360 nan 0.000 0.449 77 V N 0.480 120.361 119.914 -0.054 0.000 2.488 77 V HA -0.117 4.003 4.120 -0.000 0.000 0.246 77 V C 2.176 178.133 176.094 -0.227 0.000 1.046 77 V CA 1.594 63.846 62.300 -0.080 0.000 1.053 77 V CB -0.067 31.802 31.823 0.075 0.000 0.679 77 V HN 0.389 nan 8.190 nan 0.000 0.458 78 A N -0.807 121.939 122.820 -0.122 0.000 1.969 78 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 78 A C 2.536 180.015 177.584 -0.176 0.000 1.169 78 A CA 1.987 53.950 52.037 -0.124 0.000 0.635 78 A CB -0.695 18.274 19.000 -0.053 0.000 0.810 78 A HN 0.599 nan 8.150 nan 0.000 0.445 79 S N -0.229 115.376 115.700 -0.158 0.000 2.402 79 S HA -0.141 4.329 4.470 -0.000 0.000 0.229 79 S C 1.917 176.387 174.600 -0.217 0.000 1.021 79 S CA 1.462 59.573 58.200 -0.148 0.000 0.974 79 S CB -0.328 62.814 63.200 -0.097 0.000 0.800 79 S HN 0.580 nan 8.310 nan 0.000 0.484 80 K N 1.034 121.232 120.400 -0.337 0.000 2.097 80 K HA 0.033 4.352 4.320 -0.000 0.000 0.205 80 K C 2.488 178.715 176.600 -0.621 0.000 1.050 80 K CA 1.025 57.033 56.287 -0.465 0.000 0.938 80 K CB -0.504 31.609 32.500 -0.645 0.000 0.718 80 K HN 0.486 nan 8.250 nan 0.000 0.442 81 A N 2.594 124.960 122.820 -0.756 0.000 1.851 81 A HA -0.264 4.056 4.320 -0.000 0.000 0.216 81 A C 2.073 179.554 177.584 -0.172 0.000 1.195 81 A CA 1.913 53.715 52.037 -0.392 0.000 0.622 81 A CB -0.839 18.065 19.000 -0.159 0.000 0.831 81 A HN 0.342 nan 8.150 nan 0.000 0.444 82 N N -0.076 118.523 118.700 -0.168 0.000 2.149 82 N HA -0.196 4.544 4.740 -0.000 0.000 0.188 82 N C 1.135 176.564 175.510 -0.136 0.000 1.019 82 N CA 1.782 54.750 53.050 -0.136 0.000 0.857 82 N CB -0.389 38.025 38.487 -0.122 0.000 0.997 82 N HN 0.407 nan 8.380 nan 0.000 0.426 83 D N 0.202 120.522 120.400 -0.133 0.000 2.117 83 D HA -0.064 4.575 4.640 -0.000 0.000 0.197 83 D C 1.426 177.696 176.300 -0.050 0.000 0.987 83 D CA 1.189 55.136 54.000 -0.088 0.000 0.829 83 D CB -0.129 40.619 40.800 -0.087 0.000 0.961 83 D HN 0.424 nan 8.370 nan 0.000 0.460 84 A N -0.534 122.264 122.820 -0.036 0.000 2.195 84 A HA 0.451 4.771 4.320 -0.000 0.000 0.210 84 A C 1.803 179.399 177.584 0.019 0.000 1.165 84 A CA 1.095 53.147 52.037 0.025 0.000 0.806 84 A CB 0.389 19.451 19.000 0.102 0.000 0.847 84 A HN 0.200 nan 8.150 nan 0.000 0.482 85 A N -2.661 120.146 122.820 -0.021 0.000 2.009 85 A HA 0.493 4.813 4.320 -0.000 0.000 0.197 85 A C 1.613 179.142 177.584 -0.092 0.000 1.471 85 A CA 1.156 53.179 52.037 -0.023 0.000 0.973 85 A CB 0.012 19.013 19.000 0.001 0.000 1.020 85 A HN 1.672 nan 8.150 nan 0.000 0.476 86 G N -1.367 107.313 108.800 -0.200 0.000 2.192 86 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.193 86 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.193 86 G C -0.333 174.401 174.900 -0.278 0.000 0.999 86 G CA 0.413 45.255 45.100 -0.429 0.000 0.659 86 G HN 0.751 nan 8.290 nan 0.000 0.503 87 D N -2.432 117.878 120.400 -0.150 0.000 2.764 87 D HA 0.547 5.187 4.640 -0.000 0.000 0.293 87 D C 0.945 177.208 176.300 -0.061 0.000 1.287 87 D CA 1.128 55.072 54.000 -0.092 0.000 0.768 87 D CB 0.665 41.429 40.800 -0.060 0.000 1.288 87 D HN 1.325 nan 8.370 nan 0.000 0.426 88 G N -0.423 108.353 108.800 -0.041 0.000 2.218 88 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.216 88 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.216 88 G C 1.121 176.006 174.900 -0.025 0.000 0.994 88 G CA 1.082 46.170 45.100 -0.021 0.000 0.637 88 G HN 0.612 nan 8.290 nan 0.000 0.505 89 T N 1.078 115.605 114.554 -0.045 0.000 2.602 89 T HA -0.294 4.056 4.350 -0.000 0.000 0.264 89 T C 2.328 177.011 174.700 -0.028 0.000 1.085 89 T CA 2.851 64.923 62.100 -0.048 0.000 1.164 89 T CB -1.021 67.816 68.868 -0.051 0.000 0.860 89 T HN 0.545 nan 8.240 nan 0.000 0.442 90 T N 1.490 116.032 114.554 -0.020 0.000 2.737 90 T HA -0.088 4.262 4.350 -0.000 0.000 0.265 90 T C 2.371 177.070 174.700 -0.002 0.000 1.038 90 T CA 1.639 63.733 62.100 -0.010 0.000 1.144 90 T CB -0.858 68.005 68.868 -0.008 0.000 0.866 90 T HN 0.446 nan 8.240 nan 0.000 0.434 91 T N 2.178 116.733 114.554 0.000 0.000 2.635 91 T HA -0.121 4.229 4.350 -0.000 0.000 0.267 91 T C 2.391 177.101 174.700 0.016 0.000 1.040 91 T CA 1.391 63.496 62.100 0.009 0.000 1.156 91 T CB -0.710 68.165 68.868 0.011 0.000 0.863 91 T HN 0.439 nan 8.240 nan 0.000 0.430 92 A N 1.250 124.080 122.820 0.017 0.000 1.884 92 A HA -0.216 4.103 4.320 -0.000 0.000 0.219 92 A C 2.568 180.167 177.584 0.025 0.000 1.197 92 A CA 2.553 54.609 52.037 0.032 0.000 0.637 92 A CB -1.482 17.535 19.000 0.027 0.000 0.827 92 A HN 0.511 nan 8.150 nan 0.000 0.450 93 T N -0.312 114.248 114.554 0.010 0.000 2.684 93 T HA -0.154 4.196 4.350 -0.000 0.000 0.267 93 T C 1.872 176.580 174.700 0.013 0.000 1.036 93 T CA 1.709 63.814 62.100 0.009 0.000 1.148 93 T CB -0.602 68.267 68.868 0.001 0.000 0.863 93 T HN 0.169 nan 8.240 nan 0.000 0.436 94 V N 1.281 121.202 119.914 0.012 0.000 2.332 94 V HA -0.147 3.973 4.120 -0.000 0.000 0.248 94 V C 2.441 178.545 176.094 0.016 0.000 1.055 94 V CA 1.576 63.884 62.300 0.013 0.000 1.038 94 V CB -0.628 31.202 31.823 0.012 0.000 0.651 94 V HN 0.422 nan 8.190 nan 0.000 0.450 95 L N -0.356 120.879 121.223 0.020 0.000 2.131 95 L HA -0.024 4.316 4.340 -0.000 0.000 0.206 95 L C 2.676 179.561 176.870 0.024 0.000 1.087 95 L CA 1.198 56.052 54.840 0.023 0.000 0.767 95 L CB -0.695 41.380 42.059 0.028 0.000 0.917 95 L HN 0.321 nan 8.230 nan 0.000 0.441 96 A N -0.411 122.426 122.820 0.028 0.000 1.908 96 A HA -0.293 4.027 4.320 -0.000 0.000 0.218 96 A C 2.270 179.867 177.584 0.022 0.000 1.181 96 A CA 1.940 53.995 52.037 0.029 0.000 0.627 96 A CB -0.569 18.451 19.000 0.032 0.000 0.818 96 A HN 0.500 nan 8.150 nan 0.000 0.445 97 Q N -0.535 119.276 119.800 0.018 0.000 2.084 97 Q HA -0.126 4.214 4.340 -0.000 0.000 0.202 97 Q C 2.210 178.218 176.000 0.014 0.000 0.978 97 Q CA 1.569 57.381 55.803 0.015 0.000 0.844 97 Q CB -0.352 28.393 28.738 0.013 0.000 0.898 97 Q HN 0.588 nan 8.270 nan 0.000 0.426 98 A N 0.759 123.588 122.820 0.014 0.000 1.908 98 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 98 A C 1.962 179.553 177.584 0.013 0.000 1.181 98 A CA 1.571 53.615 52.037 0.013 0.000 0.627 98 A CB -0.627 18.381 19.000 0.014 0.000 0.818 98 A HN 0.474 nan 8.150 nan 0.000 0.445 99 I N -0.484 120.095 120.570 0.015 0.000 2.233 99 I HA -0.183 3.987 4.170 -0.000 0.000 0.243 99 I C 2.243 178.368 176.117 0.013 0.000 1.093 99 I CA 1.079 62.387 61.300 0.013 0.000 1.380 99 I CB -0.309 37.700 38.000 0.015 0.000 1.067 99 I HN 0.257 nan 8.210 nan 0.000 0.413 100 I N 0.367 120.946 120.570 0.015 0.000 2.286 100 I HA -0.257 3.913 4.170 -0.000 0.000 0.248 100 I C 2.527 178.651 176.117 0.011 0.000 1.115 100 I CA 1.429 62.737 61.300 0.014 0.000 1.392 100 I CB -0.679 37.331 38.000 0.016 0.000 1.065 100 I HN 0.256 nan 8.210 nan 0.000 0.418 101 T N 0.179 114.739 114.554 0.011 0.000 2.652 101 T HA -0.169 4.181 4.350 -0.000 0.000 0.267 101 T C 1.848 176.552 174.700 0.007 0.000 1.039 101 T CA 1.344 63.449 62.100 0.008 0.000 1.153 101 T CB -0.132 68.741 68.868 0.008 0.000 0.863 101 T HN 0.290 nan 8.240 nan 0.000 0.428 102 E N 0.327 120.532 120.200 0.007 0.000 2.122 102 E HA 0.077 4.427 4.350 -0.000 0.000 0.190 102 E C 2.550 179.154 176.600 0.006 0.000 0.977 102 E CA 0.694 57.098 56.400 0.006 0.000 0.820 102 E CB -0.584 29.120 29.700 0.006 0.000 0.770 102 E HN 0.534 nan 8.360 nan 0.000 0.462 103 G N 1.192 109.997 108.800 0.007 0.000 2.402 103 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.216 103 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.216 103 G C 1.522 176.426 174.900 0.007 0.000 1.162 103 G CA 0.301 45.405 45.100 0.007 0.000 0.777 103 G HN 0.155 nan 8.290 nan 0.000 0.539 104 L N 0.347 121.575 121.223 0.007 0.000 2.217 104 L HA 0.177 4.517 4.340 -0.000 0.000 0.211 104 L C 2.667 179.540 176.870 0.005 0.000 1.107 104 L CA 1.313 56.157 54.840 0.007 0.000 0.783 104 L CB -0.456 41.607 42.059 0.007 0.000 0.919 104 L HN 0.157 nan 8.230 nan 0.000 0.442 105 K N -1.135 119.267 120.400 0.004 0.000 2.025 105 K HA -0.099 4.221 4.320 -0.000 0.000 0.207 105 K C 2.135 178.737 176.600 0.003 0.000 1.049 105 K CA 1.228 57.517 56.287 0.003 0.000 0.933 105 K CB -0.237 32.265 32.500 0.003 0.000 0.714 105 K HN 0.322 nan 8.250 nan 0.000 0.438 106 A N 1.131 123.953 122.820 0.004 0.000 1.873 106 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 106 A C 2.324 179.910 177.584 0.004 0.000 1.193 106 A CA 2.157 54.196 52.037 0.003 0.000 0.629 106 A CB -1.131 17.872 19.000 0.004 0.000 0.826 106 A HN 0.269 nan 8.150 nan 0.000 0.447 107 V N -1.681 118.235 119.914 0.005 0.000 2.407 107 V HA -0.069 4.051 4.120 -0.000 0.000 0.248 107 V C 2.381 178.478 176.094 0.004 0.000 1.055 107 V CA 2.393 64.696 62.300 0.006 0.000 1.049 107 V CB -1.021 30.807 31.823 0.008 0.000 0.662 107 V HN 0.611 nan 8.190 nan 0.000 0.455 108 A N -0.188 122.634 122.820 0.003 0.000 2.119 108 A HA 0.459 4.779 4.320 -0.000 0.000 0.216 108 A C 2.324 179.909 177.584 0.001 0.000 1.152 108 A CA 1.318 53.356 52.037 0.002 0.000 0.708 108 A CB -0.663 18.337 19.000 0.000 0.000 0.805 108 A HN 1.034 nan 8.150 nan 0.000 0.460 109 A N -1.567 121.254 122.820 0.001 0.000 2.123 109 A HA 0.417 4.737 4.320 -0.000 0.000 0.214 109 A C 1.621 179.205 177.584 0.000 0.000 1.152 109 A CA 1.238 53.275 52.037 0.001 0.000 0.728 109 A CB -0.513 18.488 19.000 0.001 0.000 0.814 109 A HN 1.750 nan 8.150 nan 0.000 0.464 110 G N -1.597 107.204 108.800 0.001 0.000 2.151 110 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.156 110 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.156 110 G C -0.033 174.868 174.900 0.002 0.000 1.017 110 G CA 0.082 45.182 45.100 0.001 0.000 0.686 110 G HN 0.308 nan 8.290 nan 0.000 0.503 111 M N 0.234 119.835 119.600 0.002 0.000 2.471 111 M HA 0.374 4.854 4.480 -0.000 0.000 0.309 111 M C 0.582 176.884 176.300 0.004 0.000 1.186 111 M CA -0.867 54.434 55.300 0.003 0.000 1.008 111 M CB 0.763 33.365 32.600 0.003 0.000 1.551 111 M HN 0.101 nan 8.290 nan 0.000 0.477 112 N N 1.955 120.657 118.700 0.004 0.000 2.405 112 N HA 0.116 4.856 4.740 -0.000 0.000 0.260 112 N C -2.109 173.404 175.510 0.006 0.000 1.152 112 N CA -1.292 51.760 53.050 0.005 0.000 0.948 112 N CB 1.035 39.524 38.487 0.004 0.000 1.111 112 N HN 0.267 nan 8.380 nan 0.000 0.485 113 P HA -0.145 nan 4.420 nan 0.000 0.216 113 P C 1.398 178.703 177.300 0.008 0.000 1.153 113 P CA 1.276 64.382 63.100 0.009 0.000 0.858 113 P CB 0.252 31.959 31.700 0.012 0.000 0.789 114 M N -0.897 118.708 119.600 0.008 0.000 2.175 114 M HA -0.107 4.373 4.480 -0.000 0.000 0.264 114 M C 1.465 177.768 176.300 0.005 0.000 1.063 114 M CA 1.656 56.960 55.300 0.007 0.000 1.119 114 M CB -0.868 31.735 32.600 0.007 0.000 1.377 114 M HN -0.198 nan 8.290 nan 0.000 0.415 115 D N -0.332 120.071 120.400 0.004 0.000 2.117 115 D HA -0.104 4.536 4.640 -0.000 0.000 0.198 115 D C 2.056 178.358 176.300 0.003 0.000 0.982 115 D CA 1.271 55.273 54.000 0.003 0.000 0.828 115 D CB -0.254 40.547 40.800 0.003 0.000 0.967 115 D HN 0.345 nan 8.370 nan 0.000 0.464 116 L N 0.847 122.072 121.223 0.004 0.000 2.042 116 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 116 L C 2.578 179.450 176.870 0.004 0.000 1.076 116 L CA 1.186 56.028 54.840 0.004 0.000 0.749 116 L CB -0.391 41.671 42.059 0.005 0.000 0.893 116 L HN -0.010 nan 8.230 nan 0.000 0.432 117 K N 0.372 120.774 120.400 0.004 0.000 2.002 117 K HA -0.242 4.078 4.320 -0.000 0.000 0.209 117 K C 2.299 178.899 176.600 0.001 0.000 1.048 117 K CA 1.461 57.750 56.287 0.003 0.000 0.930 117 K CB -0.043 32.459 32.500 0.004 0.000 0.714 117 K HN 0.043 nan 8.250 nan 0.000 0.438 118 R N -0.229 120.271 120.500 0.001 0.000 2.143 118 R HA -0.196 4.144 4.340 -0.000 0.000 0.239 118 R C 2.342 178.641 176.300 -0.001 0.000 1.126 118 R CA 2.190 58.290 56.100 -0.001 0.000 0.927 118 R CB -1.017 29.284 30.300 -0.000 0.000 0.860 118 R HN 0.489 nan 8.270 nan 0.000 0.433 119 G N 0.691 109.491 108.800 0.000 0.000 2.599 119 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.219 119 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.219 119 G C 1.453 176.353 174.900 0.000 0.000 1.193 119 G CA 1.557 46.657 45.100 0.000 0.000 0.778 119 G HN 0.344 nan 8.290 nan 0.000 0.589 120 I N 1.013 121.584 120.570 0.001 0.000 2.113 120 I HA -0.221 3.949 4.170 -0.000 0.000 0.242 120 I C 2.407 178.523 176.117 -0.003 0.000 1.064 120 I CA 1.732 63.032 61.300 0.001 0.000 1.320 120 I CB -0.242 37.760 38.000 0.002 0.000 1.028 120 I HN 0.082 nan 8.210 nan 0.000 0.406 121 D N 0.357 120.754 120.400 -0.005 0.000 2.178 121 D HA -0.185 4.455 4.640 -0.000 0.000 0.201 121 D C 2.084 178.378 176.300 -0.009 0.000 0.980 121 D CA 1.061 55.055 54.000 -0.010 0.000 0.842 121 D CB -0.155 40.638 40.800 -0.011 0.000 0.948 121 D HN 0.321 nan 8.370 nan 0.000 0.472 122 K N 0.541 120.937 120.400 -0.006 0.000 1.991 122 K HA -0.052 4.268 4.320 -0.000 0.000 0.207 122 K C 2.100 178.698 176.600 -0.004 0.000 1.045 122 K CA 1.045 57.329 56.287 -0.005 0.000 0.937 122 K CB -0.069 32.429 32.500 -0.003 0.000 0.720 122 K HN -0.017 nan 8.250 nan 0.000 0.438 123 A N 0.856 123.675 122.820 -0.002 0.000 1.940 123 A HA -0.198 4.122 4.320 -0.000 0.000 0.221 123 A C 2.252 179.835 177.584 -0.001 0.000 1.190 123 A CA 2.153 54.190 52.037 -0.000 0.000 0.647 123 A CB -0.908 18.093 19.000 0.002 0.000 0.821 123 A HN 0.205 nan 8.150 nan 0.000 0.457 124 V N -0.807 119.104 119.914 -0.004 0.000 2.270 124 V HA -0.230 3.890 4.120 -0.000 0.000 0.245 124 V C 2.688 178.776 176.094 -0.010 0.000 1.043 124 V CA 2.458 64.754 62.300 -0.007 0.000 1.014 124 V CB -1.445 30.370 31.823 -0.014 0.000 0.645 124 V HN 0.605 nan 8.190 nan 0.000 0.447 125 T N 0.524 115.071 114.554 -0.012 0.000 2.680 125 T HA -0.301 4.049 4.350 -0.000 0.000 0.268 125 T C 1.966 176.662 174.700 -0.007 0.000 1.033 125 T CA 2.081 64.173 62.100 -0.012 0.000 1.152 125 T CB -0.461 68.400 68.868 -0.011 0.000 0.859 125 T HN 0.601 nan 8.240 nan 0.000 0.452 126 A N 0.981 123.799 122.820 -0.004 0.000 1.872 126 A HA 0.313 4.633 4.320 -0.000 0.000 0.214 126 A C 2.635 180.220 177.584 0.002 0.000 1.187 126 A CA 1.632 53.669 52.037 -0.000 0.000 0.614 126 A CB -1.027 17.973 19.000 0.001 0.000 0.826 126 A HN 0.511 nan 8.150 nan 0.000 0.442 127 A N -0.470 122.352 122.820 0.002 0.000 1.930 127 A HA 0.046 4.366 4.320 -0.000 0.000 0.217 127 A C 2.193 179.780 177.584 0.005 0.000 1.175 127 A CA 1.651 53.691 52.037 0.005 0.000 0.627 127 A CB -0.856 18.148 19.000 0.007 0.000 0.815 127 A HN 0.353 nan 8.150 nan 0.000 0.443 128 V N -0.118 119.796 119.914 0.000 0.000 2.287 128 V HA -0.266 3.854 4.120 -0.000 0.000 0.248 128 V C 2.552 178.647 176.094 0.002 0.000 1.053 128 V CA 2.432 64.732 62.300 -0.001 0.000 1.027 128 V CB -0.796 31.022 31.823 -0.008 0.000 0.646 128 V HN 0.584 nan 8.190 nan 0.000 0.447 129 E N 0.224 120.425 120.200 0.001 0.000 2.033 129 E HA -0.219 4.131 4.350 -0.000 0.000 0.199 129 E C 2.317 178.921 176.600 0.006 0.000 1.011 129 E CA 1.522 57.924 56.400 0.003 0.000 0.815 129 E CB -0.313 29.389 29.700 0.002 0.000 0.755 129 E HN 0.529 nan 8.360 nan 0.000 0.451 130 E N -0.193 120.012 120.200 0.007 0.000 2.097 130 E HA -0.216 4.134 4.350 -0.000 0.000 0.196 130 E C 2.082 178.689 176.600 0.013 0.000 1.000 130 E CA 0.769 57.175 56.400 0.010 0.000 0.804 130 E CB -0.281 29.425 29.700 0.011 0.000 0.740 130 E HN 0.182 nan 8.360 nan 0.000 0.454 131 L N 1.596 122.827 121.223 0.013 0.000 2.042 131 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 131 L C 2.179 179.058 176.870 0.014 0.000 1.076 131 L CA 1.734 56.583 54.840 0.015 0.000 0.749 131 L CB -0.516 41.552 42.059 0.014 0.000 0.893 131 L HN 0.042 nan 8.230 nan 0.000 0.432 132 K N -1.087 119.320 120.400 0.011 0.000 2.147 132 K HA -0.111 4.209 4.320 -0.000 0.000 0.205 132 K C 1.999 178.606 176.600 0.012 0.000 1.049 132 K CA 1.258 57.551 56.287 0.011 0.000 0.936 132 K CB -0.255 32.250 32.500 0.009 0.000 0.722 132 K HN 0.356 nan 8.250 nan 0.000 0.446 133 A N 1.426 124.253 122.820 0.012 0.000 1.874 133 A HA -0.081 4.239 4.320 -0.000 0.000 0.214 133 A C 2.102 179.695 177.584 0.016 0.000 1.189 133 A CA 0.679 52.723 52.037 0.013 0.000 0.615 133 A CB -0.415 18.592 19.000 0.012 0.000 0.830 133 A HN 0.181 nan 8.150 nan 0.000 0.443 134 L N 0.248 121.482 121.223 0.018 0.000 2.131 134 L HA 0.005 4.345 4.340 -0.000 0.000 0.210 134 L C 1.483 178.366 176.870 0.022 0.000 1.092 134 L CA 1.259 56.113 54.840 0.022 0.000 0.759 134 L CB -0.566 41.508 42.059 0.025 0.000 0.903 134 L HN 0.277 nan 8.230 nan 0.000 0.435 135 S N -0.952 114.759 115.700 0.019 0.000 2.558 135 S HA 0.136 4.606 4.470 -0.000 0.000 0.293 135 S C -0.230 174.380 174.600 0.017 0.000 1.292 135 S CA -0.444 57.766 58.200 0.018 0.000 1.063 135 S CB 0.173 63.383 63.200 0.016 0.000 0.831 135 S HN 0.069 nan 8.310 nan 0.000 0.499 136 V N 8.483 128.407 119.914 0.017 0.000 2.417 136 V HA 0.396 4.516 4.120 -0.000 0.000 0.291 136 V C -2.028 174.075 176.094 0.015 0.000 1.024 136 V CA -1.844 60.466 62.300 0.016 0.000 0.861 136 V CB 1.451 33.284 31.823 0.017 0.000 0.985 136 V HN 0.760 nan 8.190 nan 0.000 0.436 137 P HA 0.137 nan 4.420 nan 0.000 0.271 137 P C -0.711 176.596 177.300 0.012 0.000 1.233 137 P CA -0.204 62.903 63.100 0.013 0.000 0.789 137 P CB 0.416 32.123 31.700 0.011 0.000 0.951 138 C N 1.574 120.881 119.300 0.012 0.000 2.547 138 C HA 0.592 5.052 4.460 -0.000 0.000 0.327 138 C C 1.069 176.065 174.990 0.011 0.000 1.076 138 C CA 0.325 59.350 59.018 0.011 0.000 1.390 138 C CB -0.566 27.181 27.740 0.013 0.000 1.918 138 C HN 0.632 nan 8.230 nan 0.000 0.438 139 S N 2.920 118.625 115.700 0.009 0.000 3.056 139 S HA 0.214 4.684 4.470 -0.000 0.000 0.255 139 S C 0.274 174.878 174.600 0.007 0.000 1.079 139 S CA 0.567 58.772 58.200 0.008 0.000 0.810 139 S CB -0.105 63.100 63.200 0.008 0.000 0.810 139 S HN 0.939 nan 8.310 nan 0.000 0.477 140 D N 1.172 121.576 120.400 0.006 0.000 2.354 140 D HA 0.378 5.018 4.640 -0.000 0.000 0.247 140 D C 1.033 177.335 176.300 0.004 0.000 1.138 140 D CA -0.115 53.888 54.000 0.005 0.000 0.958 140 D CB 0.440 41.243 40.800 0.005 0.000 1.144 140 D HN 0.054 nan 8.370 nan 0.000 0.458 141 S N -0.353 115.349 115.700 0.003 0.000 2.380 141 S HA -0.255 4.215 4.470 -0.000 0.000 0.229 141 S C 1.568 176.169 174.600 0.002 0.000 1.043 141 S CA 1.726 59.927 58.200 0.002 0.000 1.038 141 S CB -0.352 62.848 63.200 0.001 0.000 0.872 141 S HN 0.644 nan 8.310 nan 0.000 0.456 142 K N 0.899 121.301 120.400 0.003 0.000 2.009 142 K HA -0.130 4.190 4.320 -0.000 0.000 0.210 142 K C 2.172 178.775 176.600 0.004 0.000 1.049 142 K CA 1.444 57.733 56.287 0.003 0.000 0.929 142 K CB -0.405 32.098 32.500 0.004 0.000 0.714 142 K HN 0.316 nan 8.250 nan 0.000 0.440 143 A N 1.210 124.033 122.820 0.005 0.000 1.930 143 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 143 A C 2.014 179.602 177.584 0.007 0.000 1.175 143 A CA 1.173 53.214 52.037 0.007 0.000 0.627 143 A CB -0.463 18.542 19.000 0.008 0.000 0.815 143 A HN 0.294 nan 8.150 nan 0.000 0.443 144 I N 0.300 120.874 120.570 0.006 0.000 2.076 144 I HA -0.284 3.886 4.170 -0.000 0.000 0.237 144 I C 2.981 179.101 176.117 0.005 0.000 1.059 144 I CA 1.639 62.943 61.300 0.006 0.000 1.317 144 I CB -1.719 36.283 38.000 0.004 0.000 1.037 144 I HN 0.357 nan 8.210 nan 0.000 0.398 145 A N -0.120 122.702 122.820 0.003 0.000 1.940 145 A HA -0.294 4.026 4.320 -0.000 0.000 0.219 145 A C 2.263 179.849 177.584 0.002 0.000 1.176 145 A CA 2.061 54.099 52.037 0.002 0.000 0.631 145 A CB -0.709 18.291 19.000 0.001 0.000 0.814 145 A HN 0.519 nan 8.150 nan 0.000 0.446 146 Q N 0.090 119.892 119.800 0.003 0.000 1.935 146 Q HA -0.190 4.150 4.340 -0.000 0.000 0.212 146 Q C 2.107 178.110 176.000 0.005 0.000 1.008 146 Q CA 3.260 59.065 55.803 0.004 0.000 0.868 146 Q CB -0.770 27.971 28.738 0.005 0.000 0.946 146 Q HN 0.729 nan 8.270 nan 0.000 0.418 147 V N -0.378 119.540 119.914 0.007 0.000 2.490 147 V HA -0.081 4.039 4.120 -0.000 0.000 0.250 147 V C 1.890 177.990 176.094 0.009 0.000 1.061 147 V CA 2.510 64.816 62.300 0.008 0.000 1.064 147 V CB -1.440 30.390 31.823 0.012 0.000 0.670 147 V HN 0.501 nan 8.190 nan 0.000 0.461 148 G N 0.944 109.749 108.800 0.008 0.000 2.545 148 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.217 148 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.217 148 G C 1.808 176.711 174.900 0.004 0.000 1.218 148 G CA 2.633 47.737 45.100 0.007 0.000 0.787 148 G HN 0.775 nan 8.290 nan 0.000 0.571 149 T N 0.131 114.687 114.554 0.002 0.000 2.720 149 T HA -0.103 4.247 4.350 -0.000 0.000 0.268 149 T C 2.419 177.119 174.700 -0.001 0.000 1.037 149 T CA 1.498 63.597 62.100 -0.000 0.000 1.144 149 T CB -0.356 68.511 68.868 -0.001 0.000 0.864 149 T HN 0.262 nan 8.240 nan 0.000 0.444 150 I N 1.542 122.112 120.570 -0.000 0.000 2.179 150 I HA -0.120 4.050 4.170 -0.000 0.000 0.242 150 I C 3.029 179.145 176.117 -0.001 0.000 1.088 150 I CA 1.420 62.718 61.300 -0.003 0.000 1.357 150 I CB -0.561 37.438 38.000 -0.002 0.000 1.051 150 I HN 0.299 nan 8.210 nan 0.000 0.409 151 S N 0.347 116.050 115.700 0.004 0.000 2.474 151 S HA -0.001 4.469 4.470 -0.000 0.000 0.235 151 S C 1.708 176.313 174.600 0.008 0.000 0.997 151 S CA 1.066 59.271 58.200 0.008 0.000 0.949 151 S CB -0.155 63.055 63.200 0.017 0.000 0.766 151 S HN 0.451 nan 8.310 nan 0.000 0.517 152 A N 1.182 124.004 122.820 0.004 0.000 2.460 152 A HA 0.395 4.715 4.320 -0.000 0.000 0.258 152 A C 0.507 178.090 177.584 -0.002 0.000 1.300 152 A CA -0.190 51.849 52.037 0.003 0.000 0.913 152 A CB -0.631 18.369 19.000 0.001 0.000 1.031 152 A HN 0.685 nan 8.150 nan 0.000 0.512 153 N N 0.185 118.883 118.700 -0.004 0.000 2.688 153 N HA -0.209 4.531 4.740 -0.000 0.000 0.261 153 N C 0.256 175.760 175.510 -0.009 0.000 1.116 153 N CA 0.498 53.543 53.050 -0.008 0.000 0.689 153 N CB -1.007 37.475 38.487 -0.008 0.000 0.882 153 N HN 0.407 nan 8.380 nan 0.000 0.554 154 S N -1.077 114.618 115.700 -0.009 0.000 3.011 154 S HA -0.243 4.227 4.470 -0.000 0.000 0.278 154 S C -0.045 174.551 174.600 -0.007 0.000 1.300 154 S CA 1.439 59.634 58.200 -0.009 0.000 1.248 154 S CB -0.694 62.499 63.200 -0.011 0.000 1.517 154 S HN 0.802 nan 8.310 nan 0.000 0.685 155 D N 1.647 122.044 120.400 -0.006 0.000 2.348 155 D HA 0.198 4.837 4.640 -0.000 0.000 0.259 155 D C 1.002 177.299 176.300 -0.004 0.000 1.296 155 D CA 0.184 54.181 54.000 -0.005 0.000 0.931 155 D CB 0.434 41.231 40.800 -0.005 0.000 1.067 155 D HN 0.478 nan 8.370 nan 0.000 0.503 156 E N 1.101 121.298 120.200 -0.004 0.000 2.204 156 E HA -0.146 4.204 4.350 -0.000 0.000 0.194 156 E C 1.747 178.345 176.600 -0.004 0.000 0.989 156 E CA 1.101 57.499 56.400 -0.004 0.000 0.824 156 E CB 0.318 30.016 29.700 -0.003 0.000 0.756 156 E HN 0.625 nan 8.360 nan 0.000 0.477 157 T N -2.057 112.494 114.554 -0.004 0.000 2.951 157 T HA -0.057 4.293 4.350 -0.000 0.000 0.268 157 T C 1.970 176.667 174.700 -0.005 0.000 1.073 157 T CA 0.781 62.879 62.100 -0.005 0.000 1.134 157 T CB -0.214 68.651 68.868 -0.005 0.000 0.884 157 T HN -0.054 nan 8.240 nan 0.000 0.479 158 V N 1.848 121.759 119.914 -0.005 0.000 2.379 158 V HA 0.087 4.207 4.120 -0.000 0.000 0.245 158 V C 3.140 179.231 176.094 -0.004 0.000 1.044 158 V CA 1.618 63.915 62.300 -0.005 0.000 1.036 158 V CB -1.536 30.285 31.823 -0.004 0.000 0.664 158 V HN 0.639 nan 8.190 nan 0.000 0.453 159 G N -0.206 108.592 108.800 -0.003 0.000 2.440 159 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.218 159 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.218 159 G C 1.637 176.535 174.900 -0.003 0.000 1.154 159 G CA 1.208 46.307 45.100 -0.002 0.000 0.767 159 G HN 0.475 nan 8.290 nan 0.000 0.552 160 K N -0.441 119.956 120.400 -0.003 0.000 1.991 160 K HA -0.080 4.240 4.320 -0.000 0.000 0.212 160 K C 2.524 179.120 176.600 -0.005 0.000 1.049 160 K CA 1.251 57.535 56.287 -0.004 0.000 0.932 160 K CB -0.310 32.187 32.500 -0.004 0.000 0.717 160 K HN 0.221 nan 8.250 nan 0.000 0.441 161 L N 1.178 122.396 121.223 -0.007 0.000 2.079 161 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 161 L C 2.165 179.028 176.870 -0.010 0.000 1.081 161 L CA 1.436 56.271 54.840 -0.009 0.000 0.752 161 L CB -0.318 41.735 42.059 -0.011 0.000 0.896 161 L HN 0.261 nan 8.230 nan 0.000 0.433 162 I N -1.216 119.348 120.570 -0.009 0.000 2.163 162 I HA -0.298 3.872 4.170 -0.000 0.000 0.240 162 I C 2.597 178.710 176.117 -0.007 0.000 1.081 162 I CA 1.216 62.511 61.300 -0.010 0.000 1.353 162 I CB -0.599 37.397 38.000 -0.007 0.000 1.054 162 I HN 0.211 nan 8.210 nan 0.000 0.407 163 A N 0.151 122.968 122.820 -0.005 0.000 1.948 163 A HA -0.277 4.043 4.320 -0.000 0.000 0.220 163 A C 2.244 179.826 177.584 -0.004 0.000 1.177 163 A CA 2.033 54.068 52.037 -0.003 0.000 0.636 163 A CB -0.649 18.350 19.000 -0.002 0.000 0.815 163 A HN 0.485 nan 8.150 nan 0.000 0.449 164 E N -0.717 119.480 120.200 -0.006 0.000 2.072 164 E HA -0.019 4.331 4.350 -0.000 0.000 0.190 164 E C 2.396 178.992 176.600 -0.008 0.000 0.982 164 E CA 0.730 57.126 56.400 -0.006 0.000 0.803 164 E CB -0.232 29.464 29.700 -0.007 0.000 0.755 164 E HN 0.616 nan 8.360 nan 0.000 0.453 165 A N 1.238 124.052 122.820 -0.010 0.000 1.858 165 A HA -0.222 4.098 4.320 -0.000 0.000 0.216 165 A C 2.182 179.760 177.584 -0.010 0.000 1.190 165 A CA 1.594 53.624 52.037 -0.012 0.000 0.617 165 A CB -0.534 18.456 19.000 -0.016 0.000 0.827 165 A HN 0.159 nan 8.150 nan 0.000 0.443 166 M N -1.072 118.523 119.600 -0.008 0.000 2.149 166 M HA -0.178 4.301 4.480 -0.000 0.000 0.261 166 M C 1.697 177.995 176.300 -0.004 0.000 1.064 166 M CA 1.957 57.254 55.300 -0.006 0.000 1.102 166 M CB -0.697 31.901 32.600 -0.003 0.000 1.369 166 M HN 0.421 nan 8.290 nan 0.000 0.408 167 D N 0.405 120.802 120.400 -0.004 0.000 2.310 167 D HA -0.087 4.553 4.640 -0.000 0.000 0.212 167 D C 1.947 178.244 176.300 -0.004 0.000 0.965 167 D CA 0.948 54.946 54.000 -0.003 0.000 0.879 167 D CB 0.313 41.111 40.800 -0.003 0.000 0.921 167 D HN 0.218 nan 8.370 nan 0.000 0.510 168 K N -0.943 119.454 120.400 -0.006 0.000 2.262 168 K HA 0.122 4.442 4.320 -0.000 0.000 0.200 168 K C 1.262 177.859 176.600 -0.006 0.000 1.058 168 K CA 0.241 56.524 56.287 -0.006 0.000 0.974 168 K CB 0.647 33.142 32.500 -0.008 0.000 0.910 168 K HN 0.005 nan 8.250 nan 0.000 0.484 169 V N 0.315 120.225 119.914 -0.007 0.000 3.528 169 V HA 0.257 4.377 4.120 -0.000 0.000 0.294 169 V C -0.029 176.062 176.094 -0.005 0.000 1.404 169 V CA 0.775 63.071 62.300 -0.007 0.000 1.065 169 V CB 0.463 32.280 31.823 -0.009 0.000 0.904 169 V HN 0.555 nan 8.190 nan 0.000 0.435 170 G N 0.589 109.386 108.800 -0.004 0.000 2.541 170 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.686 170 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.686 170 G C -0.060 174.839 174.900 -0.002 0.000 1.286 170 G CA -0.036 45.063 45.100 -0.002 0.000 0.894 170 G HN 0.227 nan 8.290 nan 0.000 0.575 171 K N -0.173 120.228 120.400 0.001 0.000 2.288 171 K HA 0.051 4.371 4.320 -0.000 0.000 0.201 171 K C 2.102 178.705 176.600 0.004 0.000 1.048 171 K CA 1.722 58.011 56.287 0.003 0.000 0.956 171 K CB 0.068 32.572 32.500 0.006 0.000 0.746 171 K HN 0.404 nan 8.250 nan 0.000 0.461 172 E N 0.207 120.408 120.200 0.003 0.000 2.127 172 E HA 0.059 4.409 4.350 -0.000 0.000 0.191 172 E C 0.720 177.320 176.600 -0.000 0.000 0.964 172 E CA 0.309 56.711 56.400 0.004 0.000 0.832 172 E CB -0.162 29.542 29.700 0.006 0.000 0.790 172 E HN 0.286 nan 8.360 nan 0.000 0.465 173 G N 0.708 109.506 108.800 -0.003 0.000 2.460 173 G HA2 0.028 3.988 3.960 -0.000 0.000 0.230 173 G HA3 0.028 3.988 3.960 -0.000 0.000 0.230 173 G C -0.075 174.817 174.900 -0.013 0.000 1.248 173 G CA -0.283 44.813 45.100 -0.006 0.000 0.863 173 G HN 0.055 nan 8.290 nan 0.000 0.549 174 V N 2.945 122.849 119.914 -0.016 0.000 2.427 174 V HA 0.220 4.340 4.120 -0.000 0.000 0.268 174 V C 0.436 176.512 176.094 -0.031 0.000 1.046 174 V CA 0.081 62.365 62.300 -0.027 0.000 0.970 174 V CB 0.479 32.284 31.823 -0.031 0.000 1.001 174 V HN 0.477 nan 8.190 nan 0.000 0.476 175 I N 5.335 125.882 120.570 -0.038 0.000 2.355 175 I HA 0.489 4.659 4.170 -0.000 0.000 0.288 175 I C 0.514 176.598 176.117 -0.055 0.000 0.999 175 I CA -0.047 61.228 61.300 -0.042 0.000 1.163 175 I CB 1.880 39.857 38.000 -0.038 0.000 1.316 175 I HN 0.719 nan 8.210 nan 0.000 0.454 176 T N 2.686 117.210 114.554 -0.051 0.000 2.949 176 T HA 0.814 5.164 4.350 -0.000 0.000 0.287 176 T C -0.409 174.262 174.700 -0.048 0.000 1.034 176 T CA -0.866 61.201 62.100 -0.056 0.000 1.018 176 T CB 2.032 70.869 68.868 -0.053 0.000 1.135 176 T HN 0.165 nan 8.240 nan 0.000 0.532 177 V N 1.157 121.042 119.914 -0.049 0.000 2.540 177 V HA 0.550 4.670 4.120 -0.000 0.000 0.302 177 V C -0.238 175.836 176.094 -0.033 0.000 1.035 177 V CA -0.758 61.518 62.300 -0.040 0.000 0.873 177 V CB 1.384 33.181 31.823 -0.042 0.000 0.992 177 V HN 0.975 nan 8.190 nan 0.000 0.428 178 E N 1.568 121.751 120.200 -0.028 0.000 2.281 178 E HA 0.436 4.786 4.350 -0.000 0.000 0.262 178 E C -1.368 175.220 176.600 -0.020 0.000 0.933 178 E CA -1.002 55.383 56.400 -0.024 0.000 0.809 178 E CB 1.735 31.420 29.700 -0.024 0.000 1.242 178 E HN 0.666 nan 8.360 nan 0.000 0.418 179 D N 0.518 120.908 120.400 -0.018 0.000 2.455 179 D HA 0.208 4.847 4.640 -0.000 0.000 0.241 179 D C -0.088 176.203 176.300 -0.015 0.000 1.138 179 D CA 0.461 54.452 54.000 -0.015 0.000 0.877 179 D CB 0.823 41.615 40.800 -0.013 0.000 1.187 179 D HN 0.427 nan 8.370 nan 0.000 0.451 180 G N 0.062 108.855 108.800 -0.013 0.000 2.444 180 G HA2 0.339 4.299 3.960 -0.000 0.000 0.268 180 G HA3 0.339 4.299 3.960 -0.000 0.000 0.268 180 G C 1.030 175.923 174.900 -0.011 0.000 1.203 180 G CA -0.373 44.720 45.100 -0.012 0.000 0.835 180 G HN 0.498 nan 8.290 nan 0.000 0.543 181 T N -0.626 113.921 114.554 -0.011 0.000 3.044 181 T HA 0.321 4.671 4.350 -0.000 0.000 0.255 181 T C 1.277 175.972 174.700 -0.009 0.000 1.073 181 T CA 0.798 62.891 62.100 -0.010 0.000 1.125 181 T CB 0.297 69.158 68.868 -0.011 0.000 0.908 181 T HN 0.727 nan 8.240 nan 0.000 0.480 182 G N 0.852 109.646 108.800 -0.009 0.000 3.212 182 G HA2 0.535 4.495 3.960 -0.000 0.000 0.188 182 G HA3 0.535 4.495 3.960 -0.000 0.000 0.188 182 G C 0.085 174.981 174.900 -0.007 0.000 1.254 182 G CA -0.309 44.786 45.100 -0.008 0.000 0.957 182 G HN 0.215 nan 8.290 nan 0.000 0.596 183 L N -0.741 120.478 121.223 -0.007 0.000 2.529 183 L HA 0.371 4.711 4.340 -0.000 0.000 0.223 183 L C 0.653 177.519 176.870 -0.007 0.000 1.113 183 L CA 0.508 55.344 54.840 -0.007 0.000 0.861 183 L CB -0.234 41.821 42.059 -0.006 0.000 1.012 183 L HN 0.222 nan 8.230 nan 0.000 0.461 184 Q N 1.390 121.186 119.800 -0.007 0.000 2.243 184 Q HA 0.192 4.532 4.340 -0.000 0.000 0.252 184 Q C -0.784 175.210 176.000 -0.009 0.000 0.909 184 Q CA -0.333 55.465 55.803 -0.008 0.000 0.922 184 Q CB 1.098 29.832 28.738 -0.007 0.000 1.215 184 Q HN 0.292 nan 8.270 nan 0.000 0.427 185 D N 2.016 122.411 120.400 -0.009 0.000 2.399 185 D HA 0.125 4.765 4.640 -0.000 0.000 0.241 185 D C -0.296 175.998 176.300 -0.010 0.000 1.133 185 D CA 0.455 54.449 54.000 -0.010 0.000 0.890 185 D CB 0.975 41.769 40.800 -0.010 0.000 1.201 185 D HN 0.363 nan 8.370 nan 0.000 0.432 186 E N 0.426 120.619 120.200 -0.012 0.000 2.317 186 E HA 0.531 4.881 4.350 -0.000 0.000 0.270 186 E C -0.861 175.731 176.600 -0.013 0.000 0.885 186 E CA -0.720 55.673 56.400 -0.012 0.000 0.760 186 E CB 2.640 32.333 29.700 -0.013 0.000 1.227 186 E HN 0.167 nan 8.360 nan 0.000 0.434 187 L N 2.896 124.112 121.223 -0.013 0.000 2.406 187 L HA 0.461 4.801 4.340 -0.000 0.000 0.270 187 L C -1.638 175.224 176.870 -0.013 0.000 0.982 187 L CA -0.454 54.378 54.840 -0.014 0.000 0.843 187 L CB 0.937 42.989 42.059 -0.012 0.000 1.225 187 L HN 0.575 nan 8.230 nan 0.000 0.412 188 D N 4.128 124.519 120.400 -0.015 0.000 2.619 188 D HA 0.417 5.057 4.640 -0.000 0.000 0.241 188 D C -0.580 175.711 176.300 -0.015 0.000 1.087 188 D CA -0.203 53.788 54.000 -0.014 0.000 0.851 188 D CB 3.139 43.930 40.800 -0.015 0.000 1.474 188 D HN 0.290 nan 8.370 nan 0.000 0.478 189 V N -0.532 119.374 119.914 -0.014 0.000 2.539 189 V HA 0.777 4.897 4.120 -0.000 0.000 0.292 189 V C 0.004 176.090 176.094 -0.013 0.000 1.045 189 V CA -0.571 61.721 62.300 -0.013 0.000 0.945 189 V CB 1.586 33.402 31.823 -0.011 0.000 0.993 189 V HN 0.313 nan 8.190 nan 0.000 0.464 190 V N 2.311 122.216 119.914 -0.014 0.000 3.048 190 V HA 0.457 4.577 4.120 -0.000 0.000 0.303 190 V C -0.402 175.685 176.094 -0.012 0.000 1.214 190 V CA -0.552 61.740 62.300 -0.014 0.000 0.984 190 V CB 2.261 34.074 31.823 -0.017 0.000 1.054 190 V HN 1.077 nan 8.190 nan 0.000 0.430 191 E N 3.113 123.307 120.200 -0.010 0.000 2.652 191 E HA 0.409 4.759 4.350 -0.000 0.000 0.255 191 E C 0.321 176.918 176.600 -0.006 0.000 0.952 191 E CA 1.184 57.580 56.400 -0.006 0.000 0.947 191 E CB 0.716 30.413 29.700 -0.005 0.000 0.912 191 E HN 1.098 nan 8.360 nan 0.000 0.489 192 G N 1.358 110.157 108.800 -0.001 0.000 2.348 192 G HA2 0.516 4.476 3.960 -0.000 0.000 0.296 192 G HA3 0.516 4.476 3.960 -0.000 0.000 0.296 192 G C -1.213 173.695 174.900 0.013 0.000 1.258 192 G CA -0.477 44.624 45.100 0.001 0.000 0.868 192 G HN 0.432 nan 8.290 nan 0.000 0.488 193 M N -0.156 119.450 119.600 0.009 0.000 2.724 193 M HA 0.483 4.963 4.480 -0.000 0.000 0.280 193 M C -2.419 173.872 176.300 -0.015 0.000 1.090 193 M CA -0.570 54.750 55.300 0.033 0.000 0.838 193 M CB 2.159 34.818 32.600 0.098 0.000 1.729 193 M HN 0.857 nan 8.290 nan 0.000 0.530 194 Q N 3.380 123.172 119.800 -0.012 0.000 2.331 194 Q HA 0.737 5.077 4.340 -0.000 0.000 0.272 194 Q C -2.234 173.756 176.000 -0.017 0.000 1.062 194 Q CA -0.652 55.075 55.803 -0.127 0.000 0.806 194 Q CB 2.220 30.896 28.738 -0.102 0.000 1.312 194 Q HN 0.561 nan 8.270 nan 0.000 0.431 195 F N -0.101 119.850 119.950 0.001 0.000 2.578 195 F HA 0.482 5.009 4.527 -0.000 0.000 0.311 195 F C -0.680 175.124 175.800 0.007 0.000 1.094 195 F CA -1.294 56.709 58.000 0.006 0.000 0.923 195 F CB 1.113 40.118 39.000 0.008 0.000 1.230 195 F HN 0.321 nan 8.300 nan 0.000 0.450 196 D N 2.860 123.401 120.400 0.236 0.000 2.597 196 D HA 0.206 4.846 4.640 -0.000 0.000 0.228 196 D C -0.395 176.016 176.300 0.184 0.000 1.120 196 D CA 0.594 54.677 54.000 0.138 0.000 1.083 196 D CB -0.199 40.661 40.800 0.099 0.000 1.116 196 D HN 0.458 nan 8.370 nan 0.000 0.487 197 R N -0.158 120.461 120.500 0.197 0.000 2.535 197 R HA 0.574 4.914 4.340 -0.000 0.000 0.274 197 R C -0.056 176.290 176.300 0.077 0.000 1.090 197 R CA -0.606 55.607 56.100 0.189 0.000 0.930 197 R CB 1.798 32.315 30.300 0.361 0.000 1.223 197 R HN 0.241 nan 8.270 nan 0.000 0.441 198 G N 1.282 110.082 108.800 -0.000 0.000 2.552 198 G HA2 0.380 4.340 3.960 -0.000 0.000 0.324 198 G HA3 0.380 4.340 3.960 -0.000 0.000 0.324 198 G C -0.951 173.925 174.900 -0.039 0.000 1.217 198 G CA -0.634 44.390 45.100 -0.126 0.000 0.989 198 G HN 0.523 nan 8.290 nan 0.000 0.490 199 Y N -1.130 119.240 120.300 0.117 0.000 2.550 199 Y HA 0.319 4.869 4.550 -0.000 0.000 0.343 199 Y C 1.055 177.085 175.900 0.217 0.000 1.245 199 Y CA -1.018 57.200 58.100 0.197 0.000 1.462 199 Y CB 0.378 39.001 38.460 0.271 0.000 1.340 199 Y HN 0.160 nan 8.280 nan 0.000 0.604 200 L N 1.481 123.037 121.223 0.555 0.000 2.492 200 L HA 0.161 4.501 4.340 -0.000 0.000 0.223 200 L C 0.606 177.683 176.870 0.344 0.000 1.132 200 L CA 0.962 56.041 54.840 0.397 0.000 0.850 200 L CB -0.077 42.193 42.059 0.352 0.000 0.966 200 L HN 0.756 nan 8.230 nan 0.000 0.454 201 S N -2.089 113.828 115.700 0.362 0.000 2.562 201 S HA 0.362 4.832 4.470 -0.000 0.000 0.274 201 S C -2.238 172.183 174.600 -0.298 0.000 1.160 201 S CA -0.917 57.251 58.200 -0.054 0.000 0.933 201 S CB 1.490 64.388 63.200 -0.503 0.000 1.100 201 S HN -0.248 nan 8.310 nan 0.000 0.468 202 P HA -0.036 nan 4.420 nan 0.000 0.219 202 P C 0.397 177.361 177.300 -0.560 0.000 1.146 202 P CA 1.039 63.780 63.100 -0.598 0.000 0.808 202 P CB -0.087 31.381 31.700 -0.388 0.000 0.779 203 Y N -2.799 117.258 120.300 -0.405 0.000 2.680 203 Y HA -0.039 4.511 4.550 -0.000 0.000 0.303 203 Y C 1.601 177.334 175.900 -0.279 0.000 1.166 203 Y CA 0.418 58.323 58.100 -0.324 0.000 1.344 203 Y CB -0.994 37.278 38.460 -0.313 0.000 1.002 203 Y HN -0.066 nan 8.280 nan 0.000 0.537 204 F N -0.459 119.428 119.950 -0.106 0.000 2.512 204 F HA 0.092 4.618 4.527 -0.000 0.000 0.296 204 F C 1.073 176.795 175.800 -0.130 0.000 1.110 204 F CA -0.714 57.228 58.000 -0.097 0.000 1.446 204 F CB -0.581 38.364 39.000 -0.092 0.000 1.092 204 F HN -0.164 nan 8.300 nan 0.000 0.554 205 I N 2.976 123.503 120.570 -0.071 0.000 2.828 205 I HA -0.188 3.982 4.170 -0.000 0.000 0.292 205 I C 1.072 177.180 176.117 -0.015 0.000 1.206 205 I CA 0.388 61.642 61.300 -0.076 0.000 1.420 205 I CB 0.217 38.123 38.000 -0.158 0.000 1.368 205 I HN 0.207 nan 8.210 nan 0.000 0.556 206 N N 6.004 124.709 118.700 0.009 0.000 2.184 206 N HA 0.024 4.764 4.740 -0.000 0.000 0.206 206 N C -0.195 175.317 175.510 0.003 0.000 1.151 206 N CA -0.060 52.997 53.050 0.012 0.000 0.878 206 N CB 0.594 39.096 38.487 0.024 0.000 1.014 206 N HN 0.391 nan 8.380 nan 0.000 0.512 207 K N 1.818 122.218 120.400 0.001 0.000 2.624 207 K HA 0.292 4.612 4.320 -0.000 0.000 0.200 207 K C -1.980 174.618 176.600 -0.004 0.000 1.036 207 K CA -1.464 54.824 56.287 0.001 0.000 1.029 207 K CB 2.396 34.900 32.500 0.006 0.000 1.317 207 K HN -0.047 nan 8.250 nan 0.000 0.555 208 P HA -0.192 nan 4.420 nan 0.000 0.217 208 P C 0.839 178.133 177.300 -0.009 0.000 1.148 208 P CA 1.212 64.300 63.100 -0.020 0.000 0.828 208 P CB 0.508 32.195 31.700 -0.022 0.000 0.783 209 E N -0.689 119.510 120.200 -0.002 0.000 2.268 209 E HA -0.061 4.289 4.350 -0.000 0.000 0.195 209 E C 1.475 178.082 176.600 0.012 0.000 0.995 209 E CA 1.233 57.635 56.400 0.003 0.000 0.836 209 E CB -0.518 29.184 29.700 0.004 0.000 0.763 209 E HN 0.342 nan 8.360 nan 0.000 0.491 210 T N -1.159 113.405 114.554 0.018 0.000 3.022 210 T HA 0.200 4.550 4.350 -0.000 0.000 0.250 210 T C 1.092 175.819 174.700 0.046 0.000 1.060 210 T CA 0.461 62.580 62.100 0.032 0.000 1.013 210 T CB 0.609 69.495 68.868 0.029 0.000 0.982 210 T HN 0.276 nan 8.240 nan 0.000 0.508 211 G N 1.871 110.693 108.800 0.037 0.000 2.338 211 G HA2 0.062 4.022 3.960 -0.000 0.000 0.296 211 G HA3 0.062 4.022 3.960 -0.000 0.000 0.296 211 G C 0.030 175.000 174.900 0.117 0.000 1.040 211 G CA 0.103 45.237 45.100 0.058 0.000 1.004 211 G HN 0.953 nan 8.290 nan 0.000 0.509 212 A N -1.291 121.576 122.820 0.078 0.000 2.566 212 A HA 0.890 5.210 4.320 -0.000 0.000 0.292 212 A C -0.522 177.103 177.584 0.067 0.000 1.112 212 A CA -0.337 51.763 52.037 0.106 0.000 0.707 212 A CB 2.080 21.123 19.000 0.072 0.000 1.302 212 A HN 1.286 nan 8.150 nan 0.000 0.409 213 V N 1.511 121.478 119.914 0.087 0.000 2.357 213 V HA 0.404 4.523 4.120 -0.000 0.000 0.284 213 V C -0.360 175.751 176.094 0.029 0.000 1.018 213 V CA -0.258 62.076 62.300 0.057 0.000 0.841 213 V CB 1.041 32.912 31.823 0.079 0.000 0.991 213 V HN 0.865 nan 8.190 nan 0.000 0.437 214 E N 5.408 125.617 120.200 0.014 0.000 2.145 214 E HA 0.556 4.906 4.350 -0.000 0.000 0.262 214 E C -1.263 175.335 176.600 -0.004 0.000 0.883 214 E CA -0.461 55.939 56.400 -0.000 0.000 0.748 214 E CB 2.007 31.706 29.700 -0.002 0.000 1.140 214 E HN 0.548 nan 8.360 nan 0.000 0.417 215 L N 3.138 124.353 121.223 -0.013 0.000 2.313 215 L HA 0.319 4.659 4.340 -0.000 0.000 0.283 215 L C 0.151 177.008 176.870 -0.022 0.000 1.013 215 L CA -0.821 54.011 54.840 -0.014 0.000 0.816 215 L CB 1.415 43.463 42.059 -0.018 0.000 1.236 215 L HN 0.325 nan 8.230 nan 0.000 0.419 216 E N 2.377 122.566 120.200 -0.019 0.000 2.180 216 E HA 0.075 4.425 4.350 -0.000 0.000 0.283 216 E C 0.422 176.995 176.600 -0.045 0.000 1.061 216 E CA -0.051 56.332 56.400 -0.028 0.000 0.861 216 E CB 1.253 30.941 29.700 -0.020 0.000 1.056 216 E HN 0.698 nan 8.360 nan 0.000 0.407 217 S N 2.441 118.102 115.700 -0.065 0.000 3.243 217 S HA -0.151 4.319 4.470 -0.000 0.000 0.333 217 S C -2.332 172.173 174.600 -0.159 0.000 0.913 217 S CA -0.206 57.929 58.200 -0.109 0.000 1.310 217 S CB -1.571 61.560 63.200 -0.116 0.000 0.894 217 S HN 0.242 nan 8.310 nan 0.000 0.498 218 P HA 0.604 nan 4.420 nan 0.000 0.281 218 P C 0.182 177.387 177.300 -0.158 0.000 1.264 218 P CA -0.947 62.105 63.100 -0.081 0.000 0.824 218 P CB 0.346 32.045 31.700 -0.002 0.000 1.092 219 F N 0.124 120.069 119.950 -0.008 0.000 2.450 219 F HA 0.296 4.823 4.527 -0.000 0.000 0.339 219 F C 0.891 176.689 175.800 -0.004 0.000 1.146 219 F CA 0.310 58.308 58.000 -0.004 0.000 1.267 219 F CB 0.038 39.035 39.000 -0.004 0.000 1.178 219 F HN 0.022 nan 8.300 nan 0.000 0.585 220 I N 3.792 124.471 120.570 0.181 0.000 2.410 220 I HA 0.210 4.380 4.170 -0.000 0.000 0.286 220 I C -0.971 175.205 176.117 0.097 0.000 1.009 220 I CA -0.499 60.866 61.300 0.108 0.000 1.111 220 I CB 1.549 39.593 38.000 0.074 0.000 1.262 220 I HN 0.334 nan 8.210 nan 0.000 0.443 221 L N 7.654 128.920 121.223 0.072 0.000 2.290 221 L HA 0.459 4.799 4.340 -0.000 0.000 0.284 221 L C -0.781 176.111 176.870 0.038 0.000 1.078 221 L CA -0.266 54.603 54.840 0.047 0.000 0.815 221 L CB 1.100 43.177 42.059 0.031 0.000 1.162 221 L HN 0.655 nan 8.230 nan 0.000 0.435 222 L N 6.266 127.506 121.223 0.029 0.000 2.599 222 L HA 0.399 4.739 4.340 -0.000 0.000 0.241 222 L C 0.577 177.452 176.870 0.007 0.000 1.207 222 L CA -0.221 54.629 54.840 0.017 0.000 0.987 222 L CB 0.972 43.039 42.059 0.014 0.000 1.318 222 L HN 0.696 nan 8.230 nan 0.000 0.458 223 A N -0.136 122.689 122.820 0.009 0.000 2.296 223 A HA 0.272 4.592 4.320 -0.000 0.000 0.264 223 A C 0.507 178.091 177.584 0.000 0.000 1.097 223 A CA 0.060 52.101 52.037 0.006 0.000 0.811 223 A CB 0.610 19.616 19.000 0.011 0.000 1.072 223 A HN 0.573 nan 8.150 nan 0.000 0.495 224 D N -1.820 118.581 120.400 0.001 0.000 2.502 224 D HA 0.113 4.753 4.640 -0.000 0.000 0.232 224 D C 0.468 176.771 176.300 0.004 0.000 1.137 224 D CA 0.295 54.294 54.000 -0.002 0.000 0.827 224 D CB 0.127 40.924 40.800 -0.005 0.000 1.141 224 D HN 0.651 nan 8.370 nan 0.000 0.517 225 K N -0.177 120.228 120.400 0.008 0.000 2.177 225 K HA 0.487 4.807 4.320 -0.000 0.000 0.238 225 K C -0.517 176.094 176.600 0.018 0.000 1.015 225 K CA -0.856 55.439 56.287 0.012 0.000 0.922 225 K CB 0.981 33.487 32.500 0.011 0.000 1.127 225 K HN -0.339 nan 8.250 nan 0.000 0.469 226 K N 1.382 121.794 120.400 0.021 0.000 2.310 226 K HA 0.184 4.504 4.320 -0.000 0.000 0.290 226 K C -0.574 176.042 176.600 0.026 0.000 1.077 226 K CA -0.307 55.996 56.287 0.026 0.000 0.922 226 K CB 0.412 32.927 32.500 0.026 0.000 1.057 226 K HN 0.425 nan 8.250 nan 0.000 0.479 227 I N 3.713 124.301 120.570 0.031 0.000 2.389 227 I HA -0.038 4.132 4.170 -0.000 0.000 0.295 227 I C 1.236 177.373 176.117 0.034 0.000 1.117 227 I CA 0.471 61.789 61.300 0.031 0.000 1.317 227 I CB -0.228 37.792 38.000 0.035 0.000 1.431 227 I HN 0.700 nan 8.210 nan 0.000 0.521 228 S N 4.520 120.236 115.700 0.027 0.000 2.591 228 S HA 0.111 4.581 4.470 -0.000 0.000 0.235 228 S C 0.831 175.444 174.600 0.022 0.000 1.074 228 S CA -0.187 58.029 58.200 0.026 0.000 0.925 228 S CB 0.242 63.455 63.200 0.021 0.000 0.818 228 S HN 0.592 nan 8.310 nan 0.000 0.535 229 N N 1.286 119.997 118.700 0.018 0.000 2.498 229 N HA 0.353 5.093 4.740 -0.000 0.000 0.287 229 N C 0.420 175.940 175.510 0.016 0.000 1.097 229 N CA -0.397 52.662 53.050 0.014 0.000 0.973 229 N CB 1.137 39.630 38.487 0.010 0.000 1.153 229 N HN 0.300 nan 8.380 nan 0.000 0.472 230 I N 1.926 122.505 120.570 0.014 0.000 3.291 230 I HA 0.043 4.213 4.170 -0.000 0.000 0.279 230 I C 2.259 178.382 176.117 0.009 0.000 1.294 230 I CA 0.325 61.633 61.300 0.015 0.000 1.428 230 I CB -0.306 37.703 38.000 0.014 0.000 1.070 230 I HN 0.513 nan 8.210 nan 0.000 0.478 231 R N 1.817 122.321 120.500 0.006 0.000 2.066 231 R HA -0.163 4.177 4.340 -0.000 0.000 0.232 231 R C 1.985 178.285 176.300 0.001 0.000 1.131 231 R CA 1.564 57.666 56.100 0.003 0.000 0.955 231 R CB -0.075 30.226 30.300 0.002 0.000 0.851 231 R HN 0.297 nan 8.270 nan 0.000 0.432 232 E N 0.120 120.322 120.200 0.003 0.000 2.219 232 E HA -0.233 4.117 4.350 -0.000 0.000 0.198 232 E C 1.740 178.339 176.600 -0.002 0.000 0.998 232 E CA 1.655 58.056 56.400 0.001 0.000 0.818 232 E CB -0.088 29.614 29.700 0.005 0.000 0.741 232 E HN 0.259 nan 8.360 nan 0.000 0.477 233 M N -0.458 119.142 119.600 0.000 0.000 2.193 233 M HA -0.008 4.472 4.480 -0.000 0.000 0.265 233 M C 1.686 177.979 176.300 -0.011 0.000 1.071 233 M CA 1.105 56.403 55.300 -0.003 0.000 1.140 233 M CB -0.080 32.522 32.600 0.005 0.000 1.369 233 M HN 0.070 nan 8.290 nan 0.000 0.423 234 L N 0.134 121.351 121.223 -0.009 0.000 2.064 234 L HA -0.262 4.078 4.340 -0.000 0.000 0.216 234 L C -0.554 176.303 176.870 -0.021 0.000 1.077 234 L CA 1.503 56.335 54.840 -0.013 0.000 0.766 234 L CB -2.686 39.367 42.059 -0.010 0.000 0.890 234 L HN 0.267 nan 8.230 nan 0.000 0.435 235 P HA -0.135 nan 4.420 nan 0.000 0.214 235 P C 1.849 179.120 177.300 -0.048 0.000 1.162 235 P CA 2.047 65.128 63.100 -0.032 0.000 0.879 235 P CB -0.235 31.449 31.700 -0.028 0.000 0.786 236 V N -2.448 117.437 119.914 -0.049 0.000 2.453 236 V HA -0.118 4.002 4.120 -0.000 0.000 0.247 236 V C 2.532 178.577 176.094 -0.081 0.000 1.048 236 V CA 1.309 63.565 62.300 -0.073 0.000 1.049 236 V CB -1.950 29.838 31.823 -0.059 0.000 0.672 236 V HN -0.096 nan 8.190 nan 0.000 0.457 237 L N 0.472 121.665 121.223 -0.050 0.000 2.465 237 L HA 0.071 4.411 4.340 -0.000 0.000 0.224 237 L C 2.391 179.235 176.870 -0.043 0.000 1.145 237 L CA 1.856 56.673 54.840 -0.039 0.000 0.834 237 L CB -0.425 41.625 42.059 -0.016 0.000 0.944 237 L HN 0.544 nan 8.230 nan 0.000 0.451 238 E N -1.354 118.816 120.200 -0.049 0.000 2.364 238 E HA -0.004 4.346 4.350 -0.000 0.000 0.196 238 E C 1.962 178.523 176.600 -0.065 0.000 0.990 238 E CA 0.642 57.015 56.400 -0.045 0.000 0.886 238 E CB 0.229 29.908 29.700 -0.035 0.000 0.866 238 E HN 0.516 nan 8.360 nan 0.000 0.493 239 A N 0.950 123.711 122.820 -0.098 0.000 1.903 239 A HA -0.051 4.269 4.320 -0.000 0.000 0.213 239 A C 2.184 179.650 177.584 -0.196 0.000 1.185 239 A CA 1.099 53.051 52.037 -0.141 0.000 0.628 239 A CB -0.470 18.427 19.000 -0.172 0.000 0.830 239 A HN 0.246 nan 8.150 nan 0.000 0.446 240 V N -3.213 116.568 119.914 -0.221 0.000 3.573 240 V HA 0.359 4.479 4.120 -0.000 0.000 0.270 240 V C 1.852 177.909 176.094 -0.063 0.000 1.221 240 V CA 1.162 63.332 62.300 -0.217 0.000 1.163 240 V CB -0.770 30.933 31.823 -0.201 0.000 0.847 240 V HN 0.444 nan 8.190 nan 0.000 0.468 241 A N 0.972 123.760 122.820 -0.053 0.000 1.871 241 A HA 0.131 4.451 4.320 -0.000 0.000 0.211 241 A C 2.205 179.784 177.584 -0.009 0.000 1.207 241 A CA 1.079 53.106 52.037 -0.017 0.000 0.620 241 A CB -0.299 18.691 19.000 -0.017 0.000 0.860 241 A HN 0.474 nan 8.150 nan 0.000 0.450 242 K N 0.163 120.549 120.400 -0.023 0.000 2.439 242 K HA 0.127 4.447 4.320 -0.000 0.000 0.197 242 K C 1.611 178.212 176.600 0.001 0.000 1.041 242 K CA 0.660 56.939 56.287 -0.012 0.000 0.970 242 K CB -0.090 32.398 32.500 -0.020 0.000 0.773 242 K HN 0.415 nan 8.250 nan 0.000 0.479 243 A N 0.817 123.637 122.820 -0.000 0.000 2.218 243 A HA 0.162 4.482 4.320 -0.000 0.000 0.209 243 A C 1.297 178.943 177.584 0.104 0.000 1.168 243 A CA 0.584 52.657 52.037 0.060 0.000 0.804 243 A CB -0.299 18.733 19.000 0.052 0.000 0.834 243 A HN 0.336 nan 8.150 nan 0.000 0.482 244 G N -0.095 108.746 108.800 0.067 0.000 2.356 244 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.296 244 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.296 244 G C 0.003 174.957 174.900 0.090 0.000 1.022 244 G CA 0.983 46.121 45.100 0.063 0.000 0.961 244 G HN 0.589 nan 8.290 nan 0.000 0.510 245 K N -0.458 120.023 120.400 0.135 0.000 2.477 245 K HA 0.501 4.821 4.320 -0.000 0.000 0.255 245 K C -2.624 174.069 176.600 0.154 0.000 0.952 245 K CA -2.119 54.267 56.287 0.165 0.000 0.826 245 K CB 2.621 35.297 32.500 0.294 0.000 1.331 245 K HN -0.024 nan 8.250 nan 0.000 0.437 246 P HA 0.207 nan 4.420 nan 0.000 0.275 246 P C -1.163 176.213 177.300 0.126 0.000 1.266 246 P CA -0.647 62.502 63.100 0.081 0.000 0.793 246 P CB 0.608 32.330 31.700 0.037 0.000 1.074 247 L N 1.000 122.265 121.223 0.071 0.000 2.505 247 L HA 0.413 4.753 4.340 -0.000 0.000 0.266 247 L C -1.725 175.151 176.870 0.010 0.000 0.954 247 L CA -0.760 54.127 54.840 0.079 0.000 0.852 247 L CB 1.529 43.626 42.059 0.062 0.000 1.282 247 L HN 0.281 nan 8.230 nan 0.000 0.403 248 L N 5.999 127.237 121.223 0.025 0.000 2.282 248 L HA 0.535 4.875 4.340 -0.000 0.000 0.288 248 L C -0.616 176.262 176.870 0.013 0.000 1.033 248 L CA -0.470 54.366 54.840 -0.006 0.000 0.807 248 L CB 1.710 43.778 42.059 0.015 0.000 1.209 248 L HN 0.608 nan 8.230 nan 0.000 0.423 249 I N 6.055 126.619 120.570 -0.010 0.000 2.354 249 I HA 0.380 4.550 4.170 -0.000 0.000 0.292 249 I C -0.338 175.803 176.117 0.041 0.000 0.989 249 I CA -0.413 60.895 61.300 0.015 0.000 1.188 249 I CB 1.844 39.846 38.000 0.004 0.000 1.342 249 I HN 0.440 nan 8.210 nan 0.000 0.457 250 I N 6.235 126.834 120.570 0.048 0.000 2.411 250 I HA 0.713 4.883 4.170 -0.000 0.000 0.284 250 I C -0.067 176.060 176.117 0.017 0.000 1.012 250 I CA -0.098 61.231 61.300 0.048 0.000 1.119 250 I CB 1.583 39.614 38.000 0.052 0.000 1.261 250 I HN 0.694 nan 8.210 nan 0.000 0.448 251 A N 4.695 127.527 122.820 0.019 0.000 2.568 251 A HA 0.504 4.824 4.320 -0.000 0.000 0.291 251 A C 0.704 178.297 177.584 0.016 0.000 1.159 251 A CA -0.497 51.547 52.037 0.012 0.000 0.679 251 A CB 1.125 20.137 19.000 0.021 0.000 1.285 251 A HN 0.566 nan 8.150 nan 0.000 0.428 252 E N 0.120 120.330 120.200 0.016 0.000 2.068 252 E HA -0.205 4.145 4.350 -0.000 0.000 0.207 252 E C -0.065 176.558 176.600 0.038 0.000 1.032 252 E CA 2.141 58.557 56.400 0.025 0.000 0.839 252 E CB 0.109 29.824 29.700 0.026 0.000 0.758 252 E HN 0.600 nan 8.360 nan 0.000 0.457 253 D N -2.444 117.982 120.400 0.043 0.000 2.792 253 D HA 0.202 4.842 4.640 -0.000 0.000 0.335 253 D C -1.661 174.675 176.300 0.061 0.000 1.353 253 D CA -0.439 53.595 54.000 0.056 0.000 0.839 253 D CB 1.760 42.591 40.800 0.052 0.000 1.396 253 D HN -0.201 nan 8.370 nan 0.000 0.479 254 V N 1.693 121.653 119.914 0.077 0.000 2.488 254 V HA 0.326 4.446 4.120 -0.000 0.000 0.293 254 V C -0.341 175.798 176.094 0.075 0.000 1.027 254 V CA -0.677 61.670 62.300 0.080 0.000 0.862 254 V CB 1.525 33.413 31.823 0.108 0.000 1.008 254 V HN 0.409 nan 8.190 nan 0.000 0.428 255 E N 2.459 122.692 120.200 0.055 0.000 2.343 255 E HA 0.489 4.839 4.350 -0.000 0.000 0.269 255 E C 1.428 178.053 176.600 0.041 0.000 1.047 255 E CA 0.818 57.244 56.400 0.044 0.000 0.874 255 E CB 1.550 31.270 29.700 0.033 0.000 1.033 255 E HN 0.701 nan 8.360 nan 0.000 0.409 256 G N 2.671 111.491 108.800 0.033 0.000 2.759 256 G HA2 -0.475 3.485 3.960 -0.000 0.000 0.224 256 G HA3 -0.475 3.485 3.960 -0.000 0.000 0.224 256 G C 1.305 176.216 174.900 0.017 0.000 1.173 256 G CA 1.499 46.612 45.100 0.021 0.000 0.770 256 G HN 0.767 nan 8.290 nan 0.000 0.626 257 E N 0.354 120.564 120.200 0.015 0.000 2.164 257 E HA -0.217 4.133 4.350 -0.000 0.000 0.206 257 E C 2.489 179.099 176.600 0.017 0.000 1.032 257 E CA 1.682 58.089 56.400 0.012 0.000 0.832 257 E CB -0.287 29.421 29.700 0.012 0.000 0.742 257 E HN 0.491 nan 8.360 nan 0.000 0.460 258 A N -0.138 122.699 122.820 0.029 0.000 2.167 258 A HA 0.157 4.477 4.320 -0.000 0.000 0.208 258 A C 1.848 179.469 177.584 0.061 0.000 1.198 258 A CA -0.008 52.052 52.037 0.039 0.000 0.863 258 A CB -0.106 18.919 19.000 0.040 0.000 0.904 258 A HN 0.338 nan 8.150 nan 0.000 0.484 259 L N -0.188 121.074 121.223 0.066 0.000 2.007 259 L HA -0.004 4.336 4.340 -0.000 0.000 0.205 259 L C 2.630 179.527 176.870 0.045 0.000 1.073 259 L CA 1.755 56.652 54.840 0.095 0.000 0.744 259 L CB -0.343 41.770 42.059 0.090 0.000 0.898 259 L HN 0.294 nan 8.230 nan 0.000 0.435 260 A N -0.636 122.183 122.820 -0.001 0.000 2.019 260 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 260 A C 2.255 179.809 177.584 -0.050 0.000 1.164 260 A CA 2.161 54.166 52.037 -0.053 0.000 0.644 260 A CB -1.186 17.781 19.000 -0.054 0.000 0.805 260 A HN 0.674 nan 8.150 nan 0.000 0.449 261 T N -1.195 113.353 114.554 -0.010 0.000 2.770 261 T HA -0.015 4.335 4.350 -0.000 0.000 0.263 261 T C 1.850 176.563 174.700 0.022 0.000 1.039 261 T CA 1.173 63.272 62.100 -0.002 0.000 1.142 261 T CB -0.564 68.309 68.868 0.009 0.000 0.868 261 T HN 0.273 nan 8.240 nan 0.000 0.435 262 L N 0.865 122.129 121.223 0.069 0.000 2.127 262 L HA -0.090 4.250 4.340 -0.000 0.000 0.211 262 L C 2.869 179.839 176.870 0.166 0.000 1.089 262 L CA 0.811 55.734 54.840 0.139 0.000 0.757 262 L CB -0.679 41.508 42.059 0.213 0.000 0.899 262 L HN 0.183 nan 8.230 nan 0.000 0.434 263 V N -0.530 119.411 119.914 0.046 0.000 2.233 263 V HA -0.279 3.841 4.120 -0.000 0.000 0.247 263 V C 2.343 178.375 176.094 -0.103 0.000 1.050 263 V CA 1.902 64.124 62.300 -0.130 0.000 1.010 263 V CB -0.350 31.299 31.823 -0.290 0.000 0.637 263 V HN 0.226 nan 8.190 nan 0.000 0.444 264 V N 0.472 120.319 119.914 -0.111 0.000 2.626 264 V HA -0.199 3.921 4.120 -0.000 0.000 0.252 264 V C 2.245 178.321 176.094 -0.031 0.000 1.067 264 V CA 1.846 64.089 62.300 -0.096 0.000 1.081 264 V CB -1.045 30.718 31.823 -0.100 0.000 0.686 264 V HN 0.625 nan 8.190 nan 0.000 0.468 265 N N 0.752 119.454 118.700 0.003 0.000 2.289 265 N HA -0.163 4.577 4.740 -0.000 0.000 0.184 265 N C 1.909 177.447 175.510 0.046 0.000 1.016 265 N CA 2.075 55.141 53.050 0.027 0.000 0.872 265 N CB 0.231 38.743 38.487 0.042 0.000 0.973 265 N HN 0.739 nan 8.380 nan 0.000 0.433 266 T N -1.507 113.091 114.554 0.073 0.000 3.044 266 T HA 0.051 4.401 4.350 -0.000 0.000 0.237 266 T C 1.365 176.104 174.700 0.065 0.000 1.001 266 T CA -0.107 62.050 62.100 0.094 0.000 1.160 266 T CB -0.433 68.547 68.868 0.188 0.000 0.889 266 T HN 0.192 nan 8.240 nan 0.000 0.442 267 M N 2.284 121.914 119.600 0.051 0.000 2.842 267 M HA 0.369 4.849 4.480 -0.000 0.000 0.314 267 M C -0.371 175.938 176.300 0.015 0.000 1.646 267 M CA 0.059 55.383 55.300 0.040 0.000 1.484 267 M CB -0.522 32.107 32.600 0.049 0.000 1.727 267 M HN 0.120 nan 8.290 nan 0.000 0.468 268 R N 2.127 122.638 120.500 0.018 0.000 2.994 268 R HA -0.111 4.229 4.340 -0.000 0.000 0.267 268 R C -0.346 175.957 176.300 0.004 0.000 0.914 268 R CA 0.997 57.101 56.100 0.007 0.000 0.668 268 R CB -1.954 28.345 30.300 -0.002 0.000 1.524 268 R HN 1.145 nan 8.270 nan 0.000 0.478 269 G N -0.388 108.419 108.800 0.012 0.000 2.559 269 G HA2 0.505 4.465 3.960 -0.000 0.000 0.291 269 G HA3 0.505 4.465 3.960 -0.000 0.000 0.291 269 G C 0.810 175.720 174.900 0.017 0.000 1.424 269 G CA -0.604 44.503 45.100 0.011 0.000 0.786 269 G HN 0.066 nan 8.290 nan 0.000 0.485 270 I N -0.323 120.256 120.570 0.014 0.000 2.034 270 I HA -0.105 4.065 4.170 -0.000 0.000 0.228 270 I C 1.065 177.195 176.117 0.020 0.000 1.041 270 I CA 1.115 62.423 61.300 0.014 0.000 1.321 270 I CB -0.414 37.591 38.000 0.009 0.000 1.062 270 I HN 0.117 nan 8.210 nan 0.000 0.389 271 V N 2.092 122.019 119.914 0.023 0.000 2.439 271 V HA 0.071 4.191 4.120 -0.000 0.000 0.271 271 V C 0.126 176.244 176.094 0.041 0.000 1.040 271 V CA -0.397 61.920 62.300 0.028 0.000 1.002 271 V CB 0.317 32.153 31.823 0.021 0.000 1.000 271 V HN 0.219 nan 8.190 nan 0.000 0.477 272 K N 4.499 124.924 120.400 0.042 0.000 2.284 272 K HA 0.569 4.889 4.320 -0.000 0.000 0.287 272 K C -0.440 176.184 176.600 0.040 0.000 1.081 272 K CA -0.292 56.027 56.287 0.053 0.000 0.910 272 K CB 0.963 33.491 32.500 0.047 0.000 1.088 272 K HN 0.764 nan 8.250 nan 0.000 0.478 273 V N -0.191 119.746 119.914 0.038 0.000 3.167 273 V HA 0.991 5.110 4.120 -0.000 0.000 0.310 273 V C -1.311 174.645 176.094 -0.231 0.000 1.207 273 V CA -0.996 61.276 62.300 -0.045 0.000 1.059 273 V CB 1.770 33.575 31.823 -0.030 0.000 1.079 273 V HN 0.706 nan 8.190 nan 0.000 0.446 274 A N 0.151 122.697 122.820 -0.457 0.000 2.604 274 A HA 1.054 5.374 4.320 -0.000 0.000 0.295 274 A C -0.590 176.598 177.584 -0.660 0.000 1.067 274 A CA -0.228 51.131 52.037 -1.131 0.000 0.683 274 A CB 1.407 19.928 19.000 -0.797 0.000 1.281 274 A HN 2.643 nan 8.150 nan 0.000 0.407 275 A N 0.273 122.681 122.820 -0.686 0.000 2.475 275 A HA 0.911 5.231 4.320 -0.000 0.000 0.301 275 A C -0.521 177.074 177.584 0.018 0.000 1.059 275 A CA -0.065 51.872 52.037 -0.168 0.000 0.710 275 A CB 1.475 20.453 19.000 -0.038 0.000 1.288 275 A HN 2.359 nan 8.150 nan 0.000 0.408 276 V N -1.096 118.866 119.914 0.080 0.000 3.007 276 V HA 0.636 4.756 4.120 -0.000 0.000 0.311 276 V C -0.456 175.720 176.094 0.136 0.000 1.120 276 V CA -1.271 61.117 62.300 0.147 0.000 0.980 276 V CB 1.438 33.371 31.823 0.183 0.000 1.033 276 V HN 0.898 nan 8.190 nan 0.000 0.429 277 K N 1.754 122.232 120.400 0.130 0.000 2.319 277 K HA 0.612 4.932 4.320 -0.000 0.000 0.265 277 K C 0.468 177.098 176.600 0.050 0.000 1.000 277 K CA 0.397 56.735 56.287 0.086 0.000 0.943 277 K CB 0.901 33.448 32.500 0.079 0.000 0.950 277 K HN 1.122 nan 8.250 nan 0.000 0.485 278 A N 3.485 126.292 122.820 -0.022 0.000 2.386 278 A HA 0.265 4.584 4.320 -0.000 0.000 0.248 278 A C -2.100 175.377 177.584 -0.177 0.000 1.082 278 A CA -1.225 50.721 52.037 -0.151 0.000 0.789 278 A CB -0.277 18.656 19.000 -0.112 0.000 1.025 278 A HN 0.469 nan 8.150 nan 0.000 0.490 279 P HA 0.397 nan 4.420 nan 0.000 0.271 279 P C 0.560 177.806 177.300 -0.090 0.000 1.218 279 P CA 1.389 64.345 63.100 -0.239 0.000 0.780 279 P CB 0.566 32.004 31.700 -0.436 0.000 0.901 280 G N 1.857 110.678 108.800 0.035 0.000 2.888 280 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.441 280 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.441 280 G C -0.935 174.073 174.900 0.179 0.000 1.461 280 G CA -0.253 44.902 45.100 0.091 0.000 0.897 280 G HN 0.672 nan 8.290 nan 0.000 0.547 281 F N -1.223 118.724 119.950 -0.004 0.000 2.578 281 F HA 0.820 5.347 4.527 -0.000 0.000 0.311 281 F C 0.965 176.769 175.800 0.006 0.000 1.094 281 F CA -0.067 57.934 58.000 0.001 0.000 0.923 281 F CB 1.260 40.267 39.000 0.011 0.000 1.230 281 F HN 2.383 nan 8.300 nan 0.000 0.450 282 G N 2.289 111.126 108.800 0.061 0.000 2.536 282 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.280 282 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.280 282 G C 0.377 175.234 174.900 -0.072 0.000 1.152 282 G CA 0.529 45.627 45.100 -0.003 0.000 0.970 282 G HN 0.759 nan 8.290 nan 0.000 0.549 283 D N 0.511 120.852 120.400 -0.097 0.000 2.264 283 D HA -0.006 4.634 4.640 -0.000 0.000 0.208 283 D C 2.460 178.695 176.300 -0.110 0.000 0.966 283 D CA 1.199 55.149 54.000 -0.083 0.000 0.864 283 D CB -0.132 40.630 40.800 -0.064 0.000 0.933 283 D HN 0.291 nan 8.370 nan 0.000 0.499 284 R N 1.013 121.404 120.500 -0.181 0.000 2.066 284 R HA -0.020 4.320 4.340 -0.000 0.000 0.232 284 R C 2.233 178.454 176.300 -0.131 0.000 1.131 284 R CA 1.033 57.026 56.100 -0.178 0.000 0.955 284 R CB -0.356 29.780 30.300 -0.273 0.000 0.851 284 R HN 0.158 nan 8.270 nan 0.000 0.432 285 R N 0.996 121.423 120.500 -0.121 0.000 2.127 285 R HA -0.159 4.181 4.340 -0.000 0.000 0.238 285 R C 1.291 177.546 176.300 -0.075 0.000 1.134 285 R CA 1.459 57.505 56.100 -0.089 0.000 0.975 285 R CB -0.243 30.025 30.300 -0.054 0.000 0.865 285 R HN 0.075 nan 8.270 nan 0.000 0.447 286 K N 0.893 121.256 120.400 -0.062 0.000 1.988 286 K HA -0.181 4.139 4.320 -0.000 0.000 0.221 286 K C 2.215 178.785 176.600 -0.051 0.000 1.053 286 K CA 2.031 58.289 56.287 -0.048 0.000 0.959 286 K CB -0.612 31.864 32.500 -0.040 0.000 0.728 286 K HN 0.352 nan 8.250 nan 0.000 0.447 287 A N 1.353 124.140 122.820 -0.055 0.000 1.929 287 A HA -0.077 4.243 4.320 -0.000 0.000 0.216 287 A C 2.229 179.778 177.584 -0.059 0.000 1.176 287 A CA 1.169 53.175 52.037 -0.050 0.000 0.628 287 A CB -0.355 18.616 19.000 -0.048 0.000 0.816 287 A HN 0.218 nan 8.150 nan 0.000 0.444 288 M N -1.206 118.348 119.600 -0.077 0.000 2.202 288 M HA -0.139 4.341 4.480 -0.000 0.000 0.262 288 M C 2.132 178.366 176.300 -0.111 0.000 1.063 288 M CA 1.361 56.604 55.300 -0.094 0.000 1.097 288 M CB -0.507 32.023 32.600 -0.117 0.000 1.382 288 M HN 0.499 nan 8.290 nan 0.000 0.413 289 L N 0.061 121.222 121.223 -0.103 0.000 2.162 289 L HA -0.126 4.214 4.340 -0.000 0.000 0.205 289 L C 2.341 179.177 176.870 -0.057 0.000 1.086 289 L CA 1.541 56.321 54.840 -0.099 0.000 0.778 289 L CB -0.575 41.434 42.059 -0.084 0.000 0.928 289 L HN 0.192 nan 8.230 nan 0.000 0.446 290 Q N -0.194 119.579 119.800 -0.044 0.000 2.226 290 Q HA -0.214 4.126 4.340 -0.000 0.000 0.204 290 Q C 1.622 177.610 176.000 -0.020 0.000 0.975 290 Q CA 1.849 57.636 55.803 -0.027 0.000 0.866 290 Q CB -0.235 28.488 28.738 -0.025 0.000 0.915 290 Q HN 0.516 nan 8.270 nan 0.000 0.440 291 D N -0.367 120.017 120.400 -0.026 0.000 2.097 291 D HA -0.131 4.509 4.640 -0.000 0.000 0.195 291 D C 1.702 178.003 176.300 0.002 0.000 0.989 291 D CA 1.413 55.405 54.000 -0.014 0.000 0.827 291 D CB -0.141 40.648 40.800 -0.018 0.000 0.966 291 D HN 0.388 nan 8.370 nan 0.000 0.456 292 I N 0.808 121.378 120.570 0.001 0.000 2.315 292 I HA -0.206 3.964 4.170 -0.000 0.000 0.248 292 I C 2.436 178.568 176.117 0.026 0.000 1.117 292 I CA 0.754 62.072 61.300 0.031 0.000 1.404 292 I CB -0.380 37.644 38.000 0.039 0.000 1.071 292 I HN -0.078 nan 8.210 nan 0.000 0.419 293 A N 1.342 124.168 122.820 0.011 0.000 1.849 293 A HA -0.265 4.055 4.320 -0.000 0.000 0.217 293 A C 2.428 180.020 177.584 0.013 0.000 1.202 293 A CA 2.938 54.983 52.037 0.013 0.000 0.629 293 A CB -1.366 17.637 19.000 0.004 0.000 0.834 293 A HN 0.397 nan 8.150 nan 0.000 0.447 294 T N 0.063 114.621 114.554 0.007 0.000 2.653 294 T HA -0.221 4.129 4.350 -0.000 0.000 0.268 294 T C 1.822 176.527 174.700 0.009 0.000 1.035 294 T CA 1.750 63.854 62.100 0.006 0.000 1.154 294 T CB -0.491 68.378 68.868 0.002 0.000 0.862 294 T HN 0.361 nan 8.240 nan 0.000 0.441 295 L N 1.648 122.879 121.223 0.013 0.000 2.083 295 L HA -0.035 4.305 4.340 -0.000 0.000 0.209 295 L C 2.368 179.246 176.870 0.013 0.000 1.083 295 L CA 2.078 56.927 54.840 0.015 0.000 0.752 295 L CB -0.833 41.241 42.059 0.026 0.000 0.899 295 L HN 0.444 nan 8.230 nan 0.000 0.433 296 T N -4.219 110.345 114.554 0.018 0.000 3.069 296 T HA 0.337 4.687 4.350 -0.000 0.000 0.252 296 T C 1.317 176.025 174.700 0.014 0.000 1.053 296 T CA 0.157 62.266 62.100 0.014 0.000 0.964 296 T CB -0.268 68.614 68.868 0.025 0.000 1.005 296 T HN 0.574 nan 8.240 nan 0.000 0.532 297 G N 0.710 109.519 108.800 0.014 0.000 2.283 297 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.280 297 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.280 297 G C 0.357 175.273 174.900 0.026 0.000 1.029 297 G CA -0.093 45.017 45.100 0.016 0.000 0.840 297 G HN 1.050 nan 8.290 nan 0.000 0.505 298 G N -1.595 107.223 108.800 0.029 0.000 2.509 298 G HA2 0.737 4.697 3.960 -0.000 0.000 0.328 298 G HA3 0.737 4.697 3.960 -0.000 0.000 0.328 298 G C -0.237 174.679 174.900 0.026 0.000 1.194 298 G CA 0.166 45.288 45.100 0.038 0.000 0.967 298 G HN 0.547 nan 8.290 nan 0.000 0.488 299 T N 0.271 114.840 114.554 0.026 0.000 2.824 299 T HA 0.459 4.809 4.350 -0.000 0.000 0.280 299 T C 0.288 174.995 174.700 0.012 0.000 0.995 299 T CA -0.356 61.753 62.100 0.016 0.000 1.009 299 T CB 1.476 70.352 68.868 0.014 0.000 0.955 299 T HN 0.676 nan 8.240 nan 0.000 0.452 300 V N 1.626 121.543 119.914 0.005 0.000 2.432 300 V HA 0.470 4.590 4.120 -0.000 0.000 0.271 300 V C -0.085 176.009 176.094 0.001 0.000 1.046 300 V CA -0.810 61.491 62.300 0.001 0.000 0.945 300 V CB -0.143 31.677 31.823 -0.006 0.000 0.992 300 V HN 0.726 nan 8.190 nan 0.000 0.471 301 I N 4.635 125.206 120.570 0.001 0.000 2.241 301 I HA 0.240 4.410 4.170 -0.000 0.000 0.294 301 I C 0.735 176.852 176.117 -0.000 0.000 1.145 301 I CA 0.764 62.064 61.300 0.001 0.000 1.261 301 I CB 0.069 38.071 38.000 0.003 0.000 1.475 301 I HN 0.663 nan 8.210 nan 0.000 0.533 302 S N 4.585 120.284 115.700 -0.002 0.000 2.513 302 S HA 0.243 4.713 4.470 -0.000 0.000 0.276 302 S C 1.131 175.730 174.600 -0.001 0.000 1.254 302 S CA -0.785 57.413 58.200 -0.002 0.000 1.053 302 S CB 1.416 64.613 63.200 -0.004 0.000 0.958 302 S HN 0.462 nan 8.310 nan 0.000 0.491 303 E N 2.378 122.579 120.200 0.001 0.000 2.208 303 E HA -0.120 4.230 4.350 -0.000 0.000 0.193 303 E C 0.886 177.486 176.600 0.001 0.000 0.988 303 E CA 0.839 57.240 56.400 0.002 0.000 0.828 303 E CB -0.067 29.635 29.700 0.004 0.000 0.763 303 E HN 0.727 nan 8.360 nan 0.000 0.478 304 E N 0.131 120.332 120.200 0.000 0.000 2.516 304 E HA -0.015 4.335 4.350 -0.000 0.000 0.199 304 E C 1.415 178.014 176.600 -0.001 0.000 1.069 304 E CA 0.281 56.681 56.400 -0.000 0.000 0.876 304 E CB 0.039 29.738 29.700 -0.001 0.000 0.843 304 E HN 0.285 nan 8.360 nan 0.000 0.530 305 I N -2.054 118.515 120.570 -0.001 0.000 4.312 305 I HA 0.243 4.413 4.170 -0.000 0.000 0.324 305 I C 1.525 177.642 176.117 -0.001 0.000 1.298 305 I CA 0.315 61.614 61.300 -0.001 0.000 1.231 305 I CB 1.008 39.007 38.000 -0.002 0.000 1.152 305 I HN 0.231 nan 8.210 nan 0.000 0.421 306 G N 1.449 110.249 108.800 -0.000 0.000 2.352 306 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.204 306 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.204 306 G C 0.365 175.265 174.900 -0.000 0.000 1.004 306 G CA -0.408 44.692 45.100 -0.000 0.000 0.648 306 G HN 0.165 nan 8.290 nan 0.000 0.491 307 M N 1.560 121.160 119.600 -0.000 0.000 2.248 307 M HA 0.530 5.010 4.480 -0.000 0.000 0.345 307 M C 0.421 176.721 176.300 -0.000 0.000 1.243 307 M CA 0.705 56.005 55.300 -0.001 0.000 1.090 307 M CB 0.756 33.355 32.600 -0.001 0.000 1.683 307 M HN 0.277 nan 8.290 nan 0.000 0.450 308 E N 1.674 121.874 120.200 -0.001 0.000 2.281 308 E HA 0.380 4.730 4.350 -0.000 0.000 0.257 308 E C 0.184 176.783 176.600 -0.002 0.000 0.971 308 E CA -0.647 55.753 56.400 -0.000 0.000 0.839 308 E CB 1.481 31.180 29.700 -0.001 0.000 1.238 308 E HN 0.739 nan 8.360 nan 0.000 0.412 309 L N 0.890 122.112 121.223 -0.001 0.000 2.217 309 L HA -0.050 4.290 4.340 -0.000 0.000 0.211 309 L C 1.946 178.812 176.870 -0.007 0.000 1.107 309 L CA 0.814 55.652 54.840 -0.003 0.000 0.783 309 L CB -0.217 41.842 42.059 -0.000 0.000 0.919 309 L HN 0.566 nan 8.230 nan 0.000 0.442 310 E N 0.701 120.897 120.200 -0.006 0.000 2.265 310 E HA -0.166 4.184 4.350 -0.000 0.000 0.196 310 E C 0.561 177.154 176.600 -0.010 0.000 0.996 310 E CA 0.849 57.244 56.400 -0.008 0.000 0.832 310 E CB 0.091 29.788 29.700 -0.006 0.000 0.756 310 E HN 0.313 nan 8.360 nan 0.000 0.491 311 K N 0.559 120.954 120.400 -0.008 0.000 3.000 311 K HA 0.334 4.653 4.320 -0.000 0.000 0.239 311 K C -0.974 175.620 176.600 -0.010 0.000 1.269 311 K CA -0.206 56.075 56.287 -0.008 0.000 1.220 311 K CB 1.527 34.023 32.500 -0.006 0.000 1.645 311 K HN -0.031 nan 8.250 nan 0.000 0.423 312 A N 0.231 123.042 122.820 -0.015 0.000 2.459 312 A HA 0.663 4.983 4.320 -0.000 0.000 0.296 312 A C -0.484 177.082 177.584 -0.030 0.000 1.039 312 A CA -0.653 51.373 52.037 -0.017 0.000 0.698 312 A CB 1.229 20.221 19.000 -0.014 0.000 1.261 312 A HN 0.216 nan 8.150 nan 0.000 0.405 313 T N 1.559 116.094 114.554 -0.031 0.000 2.905 313 T HA 0.464 4.814 4.350 -0.000 0.000 0.283 313 T C 1.403 176.067 174.700 -0.060 0.000 1.031 313 T CA -0.565 61.505 62.100 -0.049 0.000 1.002 313 T CB 0.721 69.567 68.868 -0.036 0.000 1.200 313 T HN 0.398 nan 8.240 nan 0.000 0.560 314 L N 0.823 121.986 121.223 -0.100 0.000 2.043 314 L HA -0.160 4.180 4.340 -0.000 0.000 0.212 314 L C 2.703 179.582 176.870 0.015 0.000 1.075 314 L CA 1.774 56.538 54.840 -0.125 0.000 0.752 314 L CB -1.094 40.849 42.059 -0.193 0.000 0.891 314 L HN 0.850 nan 8.230 nan 0.000 0.432 315 E N -0.426 119.786 120.200 0.019 0.000 2.333 315 E HA -0.267 4.083 4.350 -0.000 0.000 0.200 315 E C 1.007 177.632 176.600 0.040 0.000 1.010 315 E CA 1.575 57.999 56.400 0.040 0.000 0.841 315 E CB -0.389 29.325 29.700 0.023 0.000 0.757 315 E HN 0.569 nan 8.360 nan 0.000 0.508 316 D N 0.284 120.701 120.400 0.028 0.000 2.271 316 D HA 0.042 4.682 4.640 -0.000 0.000 0.206 316 D C 0.330 176.660 176.300 0.049 0.000 0.967 316 D CA 0.176 54.193 54.000 0.028 0.000 0.867 316 D CB 0.128 40.935 40.800 0.011 0.000 0.960 316 D HN 0.121 nan 8.370 nan 0.000 0.509 317 L N 1.208 122.475 121.223 0.074 0.000 2.426 317 L HA 0.294 4.633 4.340 -0.000 0.000 0.271 317 L C 1.438 178.400 176.870 0.153 0.000 1.169 317 L CA -0.046 54.869 54.840 0.125 0.000 0.836 317 L CB 0.572 42.740 42.059 0.181 0.000 1.112 317 L HN -0.143 nan 8.230 nan 0.000 0.465 318 G N 1.921 110.791 108.800 0.118 0.000 2.588 318 G HA2 0.485 4.445 3.960 -0.000 0.000 0.281 318 G HA3 0.485 4.445 3.960 -0.000 0.000 0.281 318 G C -0.787 174.149 174.900 0.060 0.000 1.236 318 G CA -0.335 44.811 45.100 0.077 0.000 0.969 318 G HN 0.552 nan 8.290 nan 0.000 0.504 319 Q N -1.397 118.398 119.800 -0.008 0.000 2.309 319 Q HA 0.555 4.895 4.340 -0.000 0.000 0.273 319 Q C -1.168 174.786 176.000 -0.077 0.000 1.040 319 Q CA -0.706 55.037 55.803 -0.099 0.000 0.834 319 Q CB 2.493 31.129 28.738 -0.170 0.000 1.345 319 Q HN 0.837 nan 8.270 nan 0.000 0.414 320 A N 1.667 124.431 122.820 -0.092 0.000 2.520 320 A HA 0.397 4.717 4.320 -0.000 0.000 0.298 320 A C -0.245 177.291 177.584 -0.080 0.000 1.051 320 A CA -0.590 51.407 52.037 -0.066 0.000 0.690 320 A CB 1.524 20.501 19.000 -0.037 0.000 1.281 320 A HN 0.778 nan 8.150 nan 0.000 0.402 321 K N -0.164 120.196 120.400 -0.067 0.000 2.280 321 K HA -0.006 4.314 4.320 -0.000 0.000 0.202 321 K C 0.718 177.284 176.600 -0.057 0.000 1.047 321 K CA 1.263 57.511 56.287 -0.066 0.000 0.942 321 K CB 0.064 32.532 32.500 -0.052 0.000 0.739 321 K HN 0.620 nan 8.250 nan 0.000 0.457 322 R N -1.551 118.919 120.500 -0.051 0.000 2.747 322 R HA 0.423 4.763 4.340 -0.000 0.000 0.272 322 R C -2.045 174.228 176.300 -0.044 0.000 1.032 322 R CA -0.729 55.344 56.100 -0.045 0.000 0.896 322 R CB 2.519 32.795 30.300 -0.040 0.000 1.253 322 R HN -0.112 nan 8.270 nan 0.000 0.461 323 V N 1.453 121.342 119.914 -0.043 0.000 2.839 323 V HA 0.466 4.586 4.120 -0.000 0.000 0.284 323 V C -1.784 174.283 176.094 -0.045 0.000 1.397 323 V CA -0.557 61.713 62.300 -0.050 0.000 0.938 323 V CB 1.791 33.589 31.823 -0.042 0.000 1.112 323 V HN 0.583 nan 8.190 nan 0.000 0.443 324 V N 5.626 125.506 119.914 -0.056 0.000 2.495 324 V HA 0.873 4.993 4.120 -0.000 0.000 0.298 324 V C -0.689 175.380 176.094 -0.040 0.000 1.031 324 V CA -0.462 61.817 62.300 -0.036 0.000 0.871 324 V CB 1.634 33.438 31.823 -0.031 0.000 0.988 324 V HN 0.792 nan 8.190 nan 0.000 0.432 325 I N 6.213 126.792 120.570 0.015 0.000 2.530 325 I HA 0.586 4.756 4.170 -0.000 0.000 0.297 325 I C 0.201 176.405 176.117 0.144 0.000 1.011 325 I CA -0.234 61.099 61.300 0.054 0.000 1.107 325 I CB 2.001 40.068 38.000 0.111 0.000 1.285 325 I HN 0.995 nan 8.210 nan 0.000 0.436 326 N N 4.246 122.999 118.700 0.087 0.000 3.167 326 N HA 0.326 5.066 4.740 -0.000 0.000 0.323 326 N C 0.563 175.926 175.510 -0.246 0.000 1.478 326 N CA -0.799 52.319 53.050 0.113 0.000 0.753 326 N CB 1.133 39.652 38.487 0.054 0.000 1.721 326 N HN 0.433 nan 8.380 nan 0.000 0.618 327 K N -0.191 120.036 120.400 -0.288 0.000 2.137 327 K HA -0.259 4.061 4.320 -0.000 0.000 0.216 327 K C -0.336 175.977 176.600 -0.479 0.000 1.052 327 K CA 3.048 59.011 56.287 -0.539 0.000 0.939 327 K CB -0.333 32.069 32.500 -0.163 0.000 0.724 327 K HN 0.799 nan 8.250 nan 0.000 0.465 328 D N -2.181 118.074 120.400 -0.242 0.000 2.783 328 D HA 0.102 4.742 4.640 -0.000 0.000 0.306 328 D C -1.093 175.160 176.300 -0.078 0.000 1.633 328 D CA -0.452 53.464 54.000 -0.140 0.000 0.796 328 D CB 0.806 41.556 40.800 -0.084 0.000 1.230 328 D HN -0.092 nan 8.370 nan 0.000 0.441 329 T N -0.332 114.165 114.554 -0.096 0.000 2.971 329 T HA 0.615 4.964 4.350 -0.000 0.000 0.304 329 T C -0.780 173.822 174.700 -0.164 0.000 1.038 329 T CA -0.558 61.480 62.100 -0.104 0.000 1.007 329 T CB 2.117 70.934 68.868 -0.084 0.000 1.055 329 T HN -0.112 nan 8.240 nan 0.000 0.451 330 T N 2.443 116.797 114.554 -0.333 0.000 2.792 330 T HA 0.693 5.043 4.350 -0.000 0.000 0.280 330 T C -0.310 174.013 174.700 -0.629 0.000 0.990 330 T CA -0.590 61.218 62.100 -0.486 0.000 0.960 330 T CB 1.458 69.937 68.868 -0.648 0.000 0.939 330 T HN 0.740 nan 8.240 nan 0.000 0.439 331 T N 3.559 117.897 114.554 -0.360 0.000 2.881 331 T HA 0.626 4.976 4.350 -0.000 0.000 0.291 331 T C -0.336 174.263 174.700 -0.169 0.000 0.990 331 T CA -0.959 60.981 62.100 -0.266 0.000 0.976 331 T CB 0.109 68.877 68.868 -0.165 0.000 0.970 331 T HN 0.620 nan 8.240 nan 0.000 0.438 332 I N 2.929 123.421 120.570 -0.130 0.000 2.392 332 I HA 0.680 4.850 4.170 -0.000 0.000 0.295 332 I C -0.961 175.130 176.117 -0.044 0.000 0.985 332 I CA -1.250 60.012 61.300 -0.063 0.000 1.221 332 I CB 1.313 39.304 38.000 -0.015 0.000 1.366 332 I HN 0.562 nan 8.210 nan 0.000 0.467 333 I N 4.928 125.473 120.570 -0.041 0.000 2.406 333 I HA 0.308 4.478 4.170 -0.000 0.000 0.290 333 I C -0.589 175.508 176.117 -0.033 0.000 0.999 333 I CA -0.350 60.928 61.300 -0.037 0.000 1.124 333 I CB 1.298 39.274 38.000 -0.040 0.000 1.289 333 I HN 0.705 nan 8.210 nan 0.000 0.441 334 D N 5.092 125.476 120.400 -0.027 0.000 4.044 334 D HA -0.116 4.524 4.640 -0.000 0.000 0.242 334 D C -0.108 176.176 176.300 -0.027 0.000 1.076 334 D CA 0.751 54.735 54.000 -0.026 0.000 1.171 334 D CB -0.109 40.673 40.800 -0.031 0.000 0.866 334 D HN 0.821 nan 8.370 nan 0.000 0.413 335 G N 1.443 110.232 108.800 -0.018 0.000 2.353 335 G HA2 0.442 4.402 3.960 -0.000 0.000 0.284 335 G HA3 0.442 4.402 3.960 -0.000 0.000 0.284 335 G C 1.391 176.279 174.900 -0.018 0.000 1.172 335 G CA -0.356 44.734 45.100 -0.016 0.000 0.854 335 G HN 0.345 nan 8.290 nan 0.000 0.485 336 V N 2.629 122.528 119.914 -0.025 0.000 3.305 336 V HA 0.028 4.148 4.120 -0.000 0.000 0.269 336 V C 2.052 178.138 176.094 -0.012 0.000 1.157 336 V CA 0.590 62.875 62.300 -0.024 0.000 1.157 336 V CB -1.244 30.556 31.823 -0.037 0.000 0.772 336 V HN 0.767 nan 8.190 nan 0.000 0.498 337 G N 1.165 109.962 108.800 -0.006 0.000 2.265 337 G HA2 0.062 4.022 3.960 -0.000 0.000 0.240 337 G HA3 0.062 4.022 3.960 -0.000 0.000 0.240 337 G C 0.109 175.008 174.900 -0.002 0.000 1.270 337 G CA -0.210 44.890 45.100 -0.000 0.000 0.901 337 G HN 0.301 nan 8.290 nan 0.000 0.507 338 E N 1.666 121.865 120.200 -0.001 0.000 2.481 338 E HA -0.035 4.315 4.350 -0.000 0.000 0.263 338 E C 1.230 177.828 176.600 -0.002 0.000 0.992 338 E CA -0.173 56.226 56.400 -0.002 0.000 0.938 338 E CB 0.793 30.493 29.700 -0.000 0.000 0.933 338 E HN 0.538 nan 8.360 nan 0.000 0.453 339 E N 2.033 122.231 120.200 -0.003 0.000 2.077 339 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 339 E C 1.740 178.339 176.600 -0.003 0.000 0.989 339 E CA 1.351 57.749 56.400 -0.003 0.000 0.800 339 E CB -0.201 29.496 29.700 -0.004 0.000 0.746 339 E HN 0.583 nan 8.360 nan 0.000 0.452 340 A N 1.064 123.882 122.820 -0.002 0.000 2.024 340 A HA -0.102 4.218 4.320 -0.000 0.000 0.220 340 A C 2.318 179.901 177.584 -0.002 0.000 1.164 340 A CA 2.014 54.050 52.037 -0.002 0.000 0.643 340 A CB -0.367 18.632 19.000 -0.001 0.000 0.806 340 A HN 0.266 nan 8.150 nan 0.000 0.451 341 A N -0.146 122.673 122.820 -0.001 0.000 1.861 341 A HA 0.105 4.425 4.320 -0.000 0.000 0.212 341 A C 2.057 179.640 177.584 -0.001 0.000 1.199 341 A CA 1.172 53.209 52.037 -0.001 0.000 0.613 341 A CB -0.515 18.485 19.000 0.001 0.000 0.846 341 A HN 0.427 nan 8.150 nan 0.000 0.446 342 I N -0.279 120.291 120.570 -0.001 0.000 2.226 342 I HA -0.256 3.914 4.170 -0.000 0.000 0.245 342 I C 2.511 178.627 176.117 -0.002 0.000 1.100 342 I CA 1.092 62.392 61.300 -0.001 0.000 1.374 342 I CB -0.256 37.744 38.000 -0.000 0.000 1.057 342 I HN 0.243 nan 8.210 nan 0.000 0.413 343 Q N 0.642 120.441 119.800 -0.003 0.000 2.172 343 Q HA -0.049 4.291 4.340 -0.000 0.000 0.200 343 Q C 2.323 178.320 176.000 -0.004 0.000 0.964 343 Q CA 1.494 57.295 55.803 -0.003 0.000 0.855 343 Q CB -0.857 27.879 28.738 -0.003 0.000 0.918 343 Q HN 0.571 nan 8.270 nan 0.000 0.444 344 G N 0.408 109.206 108.800 -0.004 0.000 2.404 344 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.215 344 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.215 344 G C 1.683 176.580 174.900 -0.005 0.000 1.174 344 G CA 0.808 45.906 45.100 -0.004 0.000 0.780 344 G HN 0.279 nan 8.290 nan 0.000 0.537 345 R N 0.011 120.508 120.500 -0.005 0.000 2.081 345 R HA -0.001 4.339 4.340 -0.000 0.000 0.235 345 R C 2.660 178.955 176.300 -0.008 0.000 1.131 345 R CA 1.229 57.325 56.100 -0.007 0.000 0.960 345 R CB -0.727 29.569 30.300 -0.006 0.000 0.856 345 R HN 0.217 nan 8.270 nan 0.000 0.436 346 V N 0.688 120.598 119.914 -0.007 0.000 2.287 346 V HA -0.287 3.833 4.120 -0.000 0.000 0.248 346 V C 2.337 178.426 176.094 -0.008 0.000 1.053 346 V CA 2.080 64.375 62.300 -0.008 0.000 1.027 346 V CB -0.984 30.835 31.823 -0.006 0.000 0.646 346 V HN 0.563 nan 8.190 nan 0.000 0.447 347 A N -1.043 121.773 122.820 -0.007 0.000 1.940 347 A HA -0.316 4.004 4.320 -0.000 0.000 0.219 347 A C 2.175 179.754 177.584 -0.008 0.000 1.176 347 A CA 2.159 54.192 52.037 -0.007 0.000 0.631 347 A CB -0.490 18.506 19.000 -0.006 0.000 0.814 347 A HN 0.663 nan 8.150 nan 0.000 0.446 348 Q N -0.617 119.178 119.800 -0.009 0.000 2.020 348 Q HA -0.125 4.215 4.340 -0.000 0.000 0.202 348 Q C 2.081 178.074 176.000 -0.012 0.000 0.982 348 Q CA 1.721 57.518 55.803 -0.010 0.000 0.838 348 Q CB -0.335 28.397 28.738 -0.010 0.000 0.899 348 Q HN 0.772 nan 8.270 nan 0.000 0.423 349 I N 0.207 120.768 120.570 -0.014 0.000 2.202 349 I HA -0.258 3.912 4.170 -0.000 0.000 0.242 349 I C 2.463 178.570 176.117 -0.017 0.000 1.091 349 I CA 0.864 62.154 61.300 -0.018 0.000 1.368 349 I CB -0.322 37.666 38.000 -0.020 0.000 1.058 349 I HN 0.111 nan 8.210 nan 0.000 0.410 350 R N 0.616 121.108 120.500 -0.014 0.000 2.096 350 R HA -0.244 4.096 4.340 -0.000 0.000 0.240 350 R C 2.255 178.549 176.300 -0.011 0.000 1.139 350 R CA 1.701 57.793 56.100 -0.013 0.000 0.952 350 R CB -0.735 29.559 30.300 -0.010 0.000 0.854 350 R HN 0.541 nan 8.270 nan 0.000 0.436 351 Q N 0.949 120.743 119.800 -0.010 0.000 2.030 351 Q HA -0.226 4.113 4.340 -0.000 0.000 0.204 351 Q C 2.016 178.010 176.000 -0.010 0.000 0.986 351 Q CA 1.723 57.521 55.803 -0.009 0.000 0.843 351 Q CB -0.024 28.710 28.738 -0.008 0.000 0.904 351 Q HN 0.427 nan 8.270 nan 0.000 0.420 352 Q N -0.066 119.727 119.800 -0.012 0.000 2.248 352 Q HA -0.174 4.166 4.340 -0.000 0.000 0.208 352 Q C 1.962 177.953 176.000 -0.014 0.000 0.984 352 Q CA 1.283 57.078 55.803 -0.014 0.000 0.875 352 Q CB -0.166 28.562 28.738 -0.018 0.000 0.910 352 Q HN 0.510 nan 8.270 nan 0.000 0.433 353 I N 1.059 121.620 120.570 -0.015 0.000 2.614 353 I HA -0.238 3.932 4.170 -0.000 0.000 0.258 353 I C 2.439 178.550 176.117 -0.010 0.000 1.189 353 I CA 0.917 62.208 61.300 -0.015 0.000 1.462 353 I CB -0.534 37.456 38.000 -0.017 0.000 1.092 353 I HN 0.318 nan 8.210 nan 0.000 0.442 354 E N 1.750 121.946 120.200 -0.008 0.000 2.209 354 E HA -0.296 4.054 4.350 -0.000 0.000 0.196 354 E C 1.610 178.208 176.600 -0.003 0.000 0.993 354 E CA 1.435 57.832 56.400 -0.005 0.000 0.819 354 E CB -0.112 29.585 29.700 -0.004 0.000 0.745 354 E HN 0.484 nan 8.360 nan 0.000 0.477 355 E N 1.244 121.441 120.200 -0.004 0.000 2.033 355 E HA -0.119 4.231 4.350 -0.000 0.000 0.199 355 E C 1.042 177.644 176.600 0.003 0.000 1.011 355 E CA 1.992 58.391 56.400 -0.001 0.000 0.815 355 E CB -0.440 29.259 29.700 -0.001 0.000 0.755 355 E HN 0.491 nan 8.360 nan 0.000 0.451 356 A N -0.486 122.336 122.820 0.003 0.000 2.687 356 A HA -0.268 4.052 4.320 -0.000 0.000 0.299 356 A C 1.228 178.819 177.584 0.013 0.000 1.497 356 A CA 1.184 53.225 52.037 0.007 0.000 0.751 356 A CB -2.342 16.661 19.000 0.005 0.000 1.048 356 A HN 0.312 nan 8.150 nan 0.000 0.464 357 T N -1.230 113.334 114.554 0.017 0.000 3.043 357 T HA 0.351 4.701 4.350 -0.000 0.000 0.263 357 T C 0.798 175.516 174.700 0.031 0.000 1.094 357 T CA 1.151 63.264 62.100 0.020 0.000 1.127 357 T CB 0.125 69.004 68.868 0.019 0.000 0.905 357 T HN 1.424 nan 8.240 nan 0.000 0.490 358 S N -0.154 115.572 115.700 0.043 0.000 2.537 358 S HA 0.302 4.771 4.470 -0.000 0.000 0.270 358 S C -0.965 173.677 174.600 0.070 0.000 1.142 358 S CA -0.695 57.545 58.200 0.066 0.000 0.870 358 S CB 1.625 64.887 63.200 0.103 0.000 1.112 358 S HN 0.018 nan 8.310 nan 0.000 0.466 359 D N 1.303 121.749 120.400 0.076 0.000 2.371 359 D HA 0.061 4.701 4.640 -0.000 0.000 0.221 359 D C 0.905 177.263 176.300 0.097 0.000 0.986 359 D CA 0.771 54.810 54.000 0.066 0.000 0.899 359 D CB 0.003 40.838 40.800 0.058 0.000 0.902 359 D HN 0.572 nan 8.370 nan 0.000 0.530 360 Y N 0.803 121.103 120.300 0.001 0.000 2.301 360 Y HA -0.010 4.540 4.550 0.000 0.000 0.295 360 Y C 1.234 177.129 175.900 -0.008 0.000 1.119 360 Y CA 1.121 59.221 58.100 -0.000 0.000 1.162 360 Y CB 0.204 38.665 38.460 0.002 0.000 1.046 360 Y HN -0.173 nan 8.280 nan 0.000 0.538 361 D N -0.504 119.933 120.400 0.061 0.000 2.149 361 D HA -0.074 4.566 4.640 -0.000 0.000 0.201 361 D C 2.129 178.389 176.300 -0.066 0.000 0.972 361 D CA 0.943 54.930 54.000 -0.021 0.000 0.835 361 D CB -0.124 40.702 40.800 0.043 0.000 0.966 361 D HN 0.163 nan 8.370 nan 0.000 0.476 362 R N 0.566 121.045 120.500 -0.035 0.000 2.066 362 R HA -0.111 4.229 4.340 -0.000 0.000 0.232 362 R C 2.078 178.341 176.300 -0.062 0.000 1.131 362 R CA 1.161 57.240 56.100 -0.036 0.000 0.955 362 R CB -0.035 30.257 30.300 -0.013 0.000 0.851 362 R HN 0.223 nan 8.270 nan 0.000 0.432 363 E N 0.341 120.492 120.200 -0.081 0.000 2.150 363 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 363 E C 1.659 178.168 176.600 -0.152 0.000 0.985 363 E CA 1.151 57.492 56.400 -0.098 0.000 0.814 363 E CB 0.204 29.854 29.700 -0.083 0.000 0.752 363 E HN 0.027 nan 8.360 nan 0.000 0.466 364 K N 0.224 120.479 120.400 -0.242 0.000 2.116 364 K HA 0.019 4.339 4.320 -0.000 0.000 0.203 364 K C 2.073 178.579 176.600 -0.157 0.000 1.052 364 K CA 0.545 56.669 56.287 -0.271 0.000 0.952 364 K CB 0.033 32.268 32.500 -0.440 0.000 0.729 364 K HN 0.118 nan 8.250 nan 0.000 0.446 365 L N 0.182 121.333 121.223 -0.119 0.000 2.217 365 L HA -0.092 4.248 4.340 -0.000 0.000 0.211 365 L C 2.357 179.191 176.870 -0.060 0.000 1.107 365 L CA 0.756 55.550 54.840 -0.077 0.000 0.783 365 L CB -0.227 41.797 42.059 -0.058 0.000 0.919 365 L HN 0.212 nan 8.230 nan 0.000 0.442 366 Q N 0.716 120.480 119.800 -0.061 0.000 2.079 366 Q HA -0.199 4.141 4.340 -0.000 0.000 0.200 366 Q C 1.973 177.950 176.000 -0.039 0.000 0.974 366 Q CA 1.537 57.314 55.803 -0.043 0.000 0.840 366 Q CB 0.029 28.743 28.738 -0.039 0.000 0.898 366 Q HN 0.407 nan 8.270 nan 0.000 0.430 367 E N -0.541 119.628 120.200 -0.051 0.000 2.209 367 E HA -0.193 4.157 4.350 -0.000 0.000 0.196 367 E C 2.051 178.634 176.600 -0.027 0.000 0.993 367 E CA 0.822 57.199 56.400 -0.038 0.000 0.819 367 E CB 0.011 29.681 29.700 -0.050 0.000 0.745 367 E HN 0.247 nan 8.360 nan 0.000 0.477 368 R N -0.026 120.452 120.500 -0.037 0.000 2.075 368 R HA -0.060 4.280 4.340 -0.000 0.000 0.226 368 R C 2.395 178.684 176.300 -0.018 0.000 1.114 368 R CA 0.849 56.932 56.100 -0.028 0.000 0.972 368 R CB -0.069 30.207 30.300 -0.041 0.000 0.869 368 R HN 0.036 nan 8.270 nan 0.000 0.437 369 V N 1.190 121.091 119.914 -0.021 0.000 2.332 369 V HA -0.281 3.839 4.120 -0.000 0.000 0.248 369 V C 2.441 178.530 176.094 -0.009 0.000 1.055 369 V CA 2.014 64.305 62.300 -0.014 0.000 1.038 369 V CB -0.853 30.960 31.823 -0.016 0.000 0.651 369 V HN 0.408 nan 8.190 nan 0.000 0.450 370 A N 0.171 122.986 122.820 -0.009 0.000 1.851 370 A HA -0.243 4.077 4.320 -0.000 0.000 0.216 370 A C 2.313 179.899 177.584 0.003 0.000 1.195 370 A CA 2.068 54.102 52.037 -0.004 0.000 0.622 370 A CB -0.535 18.462 19.000 -0.005 0.000 0.831 370 A HN 0.466 nan 8.150 nan 0.000 0.444 371 K N -0.937 119.468 120.400 0.009 0.000 2.044 371 K HA -0.160 4.160 4.320 -0.000 0.000 0.210 371 K C 1.946 178.557 176.600 0.019 0.000 1.049 371 K CA 1.382 57.682 56.287 0.022 0.000 0.927 371 K CB -0.721 31.805 32.500 0.043 0.000 0.713 371 K HN 0.398 nan 8.250 nan 0.000 0.443 372 L N 0.759 121.990 121.223 0.013 0.000 2.007 372 L HA -0.036 4.304 4.340 -0.000 0.000 0.205 372 L C 2.188 179.061 176.870 0.005 0.000 1.073 372 L CA 1.968 56.814 54.840 0.011 0.000 0.744 372 L CB -0.854 41.208 42.059 0.005 0.000 0.898 372 L HN 0.146 nan 8.230 nan 0.000 0.435 373 A N -1.457 121.364 122.820 0.001 0.000 2.178 373 A HA 0.213 4.533 4.320 -0.000 0.000 0.211 373 A C 2.151 179.734 177.584 -0.001 0.000 1.157 373 A CA 0.779 52.816 52.037 -0.001 0.000 0.780 373 A CB -0.959 18.039 19.000 -0.003 0.000 0.828 373 A HN 0.490 nan 8.150 nan 0.000 0.476 374 G N -0.407 108.393 108.800 -0.000 0.000 2.403 374 G HA2 0.375 4.335 3.960 -0.000 0.000 0.216 374 G HA3 0.375 4.335 3.960 -0.000 0.000 0.216 374 G C 1.091 175.990 174.900 -0.002 0.000 1.154 374 G CA 0.676 45.775 45.100 -0.001 0.000 0.784 374 G HN 1.667 nan 8.290 nan 0.000 0.538 375 G N -1.834 106.965 108.800 -0.001 0.000 2.796 375 G HA2 0.059 4.019 3.960 -0.000 0.000 0.571 375 G HA3 0.059 4.019 3.960 -0.000 0.000 0.571 375 G C -0.787 174.108 174.900 -0.008 0.000 1.370 375 G CA -0.379 44.719 45.100 -0.004 0.000 0.856 375 G HN 0.976 nan 8.290 nan 0.000 0.538 376 V N 0.543 120.449 119.914 -0.013 0.000 2.531 376 V HA 0.735 4.855 4.120 -0.000 0.000 0.301 376 V C 0.764 176.845 176.094 -0.021 0.000 1.034 376 V CA -0.066 62.222 62.300 -0.020 0.000 0.865 376 V CB 1.378 33.185 31.823 -0.026 0.000 0.995 376 V HN 2.064 nan 8.190 nan 0.000 0.424 377 A N 4.733 127.539 122.820 -0.022 0.000 2.309 377 A HA 0.720 5.040 4.320 -0.000 0.000 0.290 377 A C -0.157 177.411 177.584 -0.026 0.000 1.206 377 A CA -0.378 51.646 52.037 -0.021 0.000 0.850 377 A CB 0.865 19.853 19.000 -0.019 0.000 1.118 377 A HN 1.410 nan 8.150 nan 0.000 0.523 378 V N 2.083 121.982 119.914 -0.025 0.000 2.435 378 V HA 0.722 4.842 4.120 -0.000 0.000 0.290 378 V C -0.346 175.734 176.094 -0.024 0.000 1.030 378 V CA -0.680 61.604 62.300 -0.027 0.000 0.881 378 V CB 1.004 32.810 31.823 -0.027 0.000 0.983 378 V HN 0.632 nan 8.190 nan 0.000 0.445 379 I N 5.171 125.725 120.570 -0.026 0.000 2.321 379 I HA 0.455 4.625 4.170 -0.000 0.000 0.291 379 I C 0.232 176.335 176.117 -0.022 0.000 0.998 379 I CA -0.486 60.800 61.300 -0.023 0.000 1.227 379 I CB 1.511 39.496 38.000 -0.025 0.000 1.368 379 I HN 0.637 nan 8.210 nan 0.000 0.466 380 K N 6.032 126.420 120.400 -0.019 0.000 2.263 380 K HA 0.429 4.748 4.320 -0.000 0.000 0.272 380 K C -0.874 175.716 176.600 -0.015 0.000 1.033 380 K CA -0.647 55.629 56.287 -0.018 0.000 0.884 380 K CB 2.058 34.548 32.500 -0.016 0.000 1.107 380 K HN 0.306 nan 8.250 nan 0.000 0.460 381 V N 3.009 122.914 119.914 -0.015 0.000 2.408 381 V HA 0.176 4.296 4.120 -0.000 0.000 0.267 381 V C 0.778 176.865 176.094 -0.011 0.000 1.047 381 V CA -0.502 61.791 62.300 -0.013 0.000 0.937 381 V CB 0.942 32.757 31.823 -0.013 0.000 0.999 381 V HN 0.889 nan 8.190 nan 0.000 0.472 382 G N 3.567 112.361 108.800 -0.010 0.000 2.400 382 G HA2 0.756 4.716 3.960 -0.000 0.000 0.301 382 G HA3 0.756 4.716 3.960 -0.000 0.000 0.301 382 G C -0.372 174.523 174.900 -0.008 0.000 1.154 382 G CA 0.264 45.359 45.100 -0.009 0.000 0.852 382 G HN 1.191 nan 8.290 nan 0.000 0.511 383 A N -0.047 122.769 122.820 -0.007 0.000 2.564 383 A HA 0.797 5.117 4.320 -0.000 0.000 0.291 383 A C 0.696 178.276 177.584 -0.006 0.000 1.102 383 A CA 0.355 52.389 52.037 -0.007 0.000 0.660 383 A CB 0.532 19.529 19.000 -0.006 0.000 1.283 383 A HN 1.720 nan 8.150 nan 0.000 0.430 384 A N -0.389 122.428 122.820 -0.005 0.000 1.861 384 A HA 0.437 4.757 4.320 -0.000 0.000 0.212 384 A C 1.395 178.976 177.584 -0.005 0.000 1.199 384 A CA 2.254 54.288 52.037 -0.005 0.000 0.613 384 A CB -0.631 18.366 19.000 -0.005 0.000 0.846 384 A HN 1.819 nan 8.150 nan 0.000 0.446 385 T N -2.212 112.339 114.554 -0.005 0.000 2.940 385 T HA 0.356 4.705 4.350 -0.000 0.000 0.288 385 T C 0.732 175.429 174.700 -0.005 0.000 1.033 385 T CA -0.021 62.077 62.100 -0.005 0.000 1.033 385 T CB 1.619 70.485 68.868 -0.004 0.000 1.079 385 T HN 0.380 nan 8.240 nan 0.000 0.496 386 E N 1.214 121.411 120.200 -0.005 0.000 2.110 386 E HA -0.102 4.248 4.350 -0.000 0.000 0.193 386 E C 1.902 178.499 176.600 -0.005 0.000 0.988 386 E CA 1.276 57.673 56.400 -0.005 0.000 0.804 386 E CB -0.037 29.660 29.700 -0.005 0.000 0.745 386 E HN 0.577 nan 8.360 nan 0.000 0.458 387 V N 0.930 120.842 119.914 -0.004 0.000 2.270 387 V HA -0.250 3.870 4.120 -0.000 0.000 0.245 387 V C 2.340 178.432 176.094 -0.004 0.000 1.043 387 V CA 2.136 64.433 62.300 -0.004 0.000 1.014 387 V CB -0.666 31.155 31.823 -0.003 0.000 0.645 387 V HN 0.313 nan 8.190 nan 0.000 0.447 388 E N -0.483 119.715 120.200 -0.004 0.000 2.070 388 E HA -0.285 4.064 4.350 -0.000 0.000 0.197 388 E C 2.268 178.865 176.600 -0.005 0.000 1.004 388 E CA 1.855 58.252 56.400 -0.005 0.000 0.805 388 E CB -0.148 29.549 29.700 -0.005 0.000 0.744 388 E HN 0.433 nan 8.360 nan 0.000 0.451 389 M N 0.651 120.248 119.600 -0.005 0.000 2.126 389 M HA -0.217 4.263 4.480 -0.000 0.000 0.259 389 M C 1.925 178.221 176.300 -0.006 0.000 1.073 389 M CA 1.793 57.089 55.300 -0.006 0.000 1.103 389 M CB -0.346 32.250 32.600 -0.007 0.000 1.284 389 M HN -0.064 nan 8.290 nan 0.000 0.420 390 K N -0.429 119.968 120.400 -0.006 0.000 2.574 390 K HA -0.125 4.195 4.320 -0.000 0.000 0.193 390 K C 1.799 178.396 176.600 -0.004 0.000 1.035 390 K CA 0.424 56.708 56.287 -0.005 0.000 0.982 390 K CB 0.044 32.541 32.500 -0.005 0.000 0.795 390 K HN 0.342 nan 8.250 nan 0.000 0.491 391 E N 1.489 121.687 120.200 -0.004 0.000 2.057 391 E HA -0.104 4.246 4.350 -0.000 0.000 0.190 391 E C 1.758 178.356 176.600 -0.003 0.000 0.969 391 E CA 0.967 57.365 56.400 -0.003 0.000 0.812 391 E CB 0.223 29.922 29.700 -0.003 0.000 0.777 391 E HN 0.094 nan 8.360 nan 0.000 0.455 392 K N 1.102 121.499 120.400 -0.004 0.000 2.032 392 K HA -0.175 4.145 4.320 -0.000 0.000 0.209 392 K C 2.290 178.886 176.600 -0.006 0.000 1.048 392 K CA 1.429 57.713 56.287 -0.005 0.000 0.927 392 K CB -0.099 32.397 32.500 -0.006 0.000 0.712 392 K HN -0.086 nan 8.250 nan 0.000 0.441 393 K N 0.123 120.519 120.400 -0.008 0.000 2.127 393 K HA -0.203 4.117 4.320 -0.000 0.000 0.208 393 K C 1.891 178.485 176.600 -0.009 0.000 1.047 393 K CA 1.500 57.781 56.287 -0.010 0.000 0.927 393 K CB -0.157 32.336 32.500 -0.011 0.000 0.716 393 K HN 0.249 nan 8.250 nan 0.000 0.450 394 A N 1.005 123.823 122.820 -0.003 0.000 1.898 394 A HA -0.123 4.196 4.320 -0.000 0.000 0.216 394 A C 2.087 179.675 177.584 0.007 0.000 1.181 394 A CA 1.265 53.303 52.037 0.003 0.000 0.620 394 A CB -0.335 18.668 19.000 0.005 0.000 0.819 394 A HN 0.306 nan 8.150 nan 0.000 0.442 395 R N -0.751 119.751 120.500 0.004 0.000 2.115 395 R HA -0.016 4.324 4.340 -0.000 0.000 0.226 395 R C 1.962 178.265 176.300 0.005 0.000 1.100 395 R CA 1.118 57.223 56.100 0.007 0.000 0.980 395 R CB -0.352 29.950 30.300 0.003 0.000 0.875 395 R HN 0.380 nan 8.270 nan 0.000 0.445 396 V N 1.059 120.971 119.914 -0.004 0.000 2.295 396 V HA -0.259 3.861 4.120 -0.000 0.000 0.246 396 V C 1.876 177.958 176.094 -0.020 0.000 1.049 396 V CA 1.910 64.203 62.300 -0.011 0.000 1.024 396 V CB -0.367 31.446 31.823 -0.017 0.000 0.648 396 V HN 0.340 nan 8.190 nan 0.000 0.447 397 E N -0.360 119.825 120.200 -0.024 0.000 2.110 397 E HA -0.210 4.140 4.350 -0.000 0.000 0.193 397 E C 2.014 178.607 176.600 -0.011 0.000 0.988 397 E CA 1.259 57.628 56.400 -0.052 0.000 0.804 397 E CB -0.136 29.537 29.700 -0.046 0.000 0.745 397 E HN 0.582 nan 8.360 nan 0.000 0.458 398 D N 0.192 120.618 120.400 0.043 0.000 2.084 398 D HA -0.150 4.490 4.640 -0.000 0.000 0.194 398 D C 1.911 178.264 176.300 0.088 0.000 0.990 398 D CA 1.382 55.438 54.000 0.093 0.000 0.826 398 D CB -0.207 40.626 40.800 0.055 0.000 0.971 398 D HN 0.166 nan 8.370 nan 0.000 0.453 399 A N 0.952 123.797 122.820 0.041 0.000 1.858 399 A HA -0.149 4.171 4.320 -0.000 0.000 0.216 399 A C 2.348 179.952 177.584 0.034 0.000 1.190 399 A CA 1.114 53.171 52.037 0.032 0.000 0.617 399 A CB -1.026 17.982 19.000 0.013 0.000 0.827 399 A HN 0.250 nan 8.150 nan 0.000 0.443 400 L N -1.089 120.136 121.223 0.003 0.000 2.021 400 L HA -0.306 4.034 4.340 -0.000 0.000 0.215 400 L C 2.616 179.493 176.870 0.012 0.000 1.074 400 L CA 2.330 57.157 54.840 -0.022 0.000 0.760 400 L CB -0.460 41.551 42.059 -0.080 0.000 0.889 400 L HN 0.526 nan 8.230 nan 0.000 0.433 401 H N -0.533 118.534 119.070 -0.004 0.000 2.265 401 H HA -0.158 4.398 4.556 -0.000 0.000 0.295 401 H C 2.154 177.482 175.328 -0.000 0.000 1.084 401 H CA 1.714 57.760 56.048 -0.003 0.000 1.261 401 H CB -0.532 29.228 29.762 -0.004 0.000 1.360 401 H HN 0.528 nan 8.280 nan 0.000 0.487 402 A N -0.145 122.761 122.820 0.144 0.000 2.019 402 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 402 A C 2.565 180.181 177.584 0.053 0.000 1.164 402 A CA 2.000 54.079 52.037 0.070 0.000 0.644 402 A CB -0.617 18.411 19.000 0.046 0.000 0.805 402 A HN 0.503 nan 8.150 nan 0.000 0.449 403 T N -0.704 113.880 114.554 0.050 0.000 2.809 403 T HA -0.060 4.290 4.350 -0.000 0.000 0.260 403 T C 2.039 176.758 174.700 0.033 0.000 1.039 403 T CA 1.069 63.188 62.100 0.032 0.000 1.141 403 T CB -0.204 68.676 68.868 0.020 0.000 0.869 403 T HN 0.473 nan 8.240 nan 0.000 0.437 404 R N 1.036 121.560 120.500 0.041 0.000 2.117 404 R HA -0.041 4.299 4.340 -0.000 0.000 0.243 404 R C 2.708 179.034 176.300 0.044 0.000 1.143 404 R CA 1.426 57.550 56.100 0.041 0.000 0.968 404 R CB -0.428 29.903 30.300 0.052 0.000 0.863 404 R HN 0.394 nan 8.270 nan 0.000 0.444 405 A N 0.597 123.449 122.820 0.054 0.000 1.970 405 A HA 0.031 4.351 4.320 -0.000 0.000 0.216 405 A C 2.263 179.865 177.584 0.031 0.000 1.170 405 A CA 1.256 53.319 52.037 0.043 0.000 0.645 405 A CB -0.316 18.709 19.000 0.041 0.000 0.816 405 A HN 0.378 nan 8.150 nan 0.000 0.447 406 A N -0.359 122.478 122.820 0.029 0.000 1.930 406 A HA 0.063 4.383 4.320 -0.000 0.000 0.217 406 A C 2.184 179.780 177.584 0.020 0.000 1.175 406 A CA 1.610 53.660 52.037 0.022 0.000 0.627 406 A CB -0.813 18.200 19.000 0.020 0.000 0.815 406 A HN 0.328 nan 8.150 nan 0.000 0.443 407 V N 0.215 120.141 119.914 0.020 0.000 2.261 407 V HA -0.305 3.815 4.120 -0.000 0.000 0.246 407 V C 2.412 178.516 176.094 0.018 0.000 1.047 407 V CA 2.374 64.684 62.300 0.017 0.000 1.015 407 V CB -1.004 30.829 31.823 0.016 0.000 0.642 407 V HN 0.636 nan 8.190 nan 0.000 0.446 408 E N -0.081 120.132 120.200 0.021 0.000 2.070 408 E HA -0.235 4.115 4.350 -0.000 0.000 0.197 408 E C 1.733 178.344 176.600 0.019 0.000 1.004 408 E CA 1.787 58.200 56.400 0.021 0.000 0.805 408 E CB -0.063 29.652 29.700 0.025 0.000 0.744 408 E HN 0.709 nan 8.360 nan 0.000 0.451 409 E N -1.060 119.151 120.200 0.019 0.000 2.676 409 E HA 0.247 4.597 4.350 -0.000 0.000 0.225 409 E C 0.271 176.881 176.600 0.017 0.000 0.944 409 E CA 0.157 56.568 56.400 0.018 0.000 1.156 409 E CB 1.686 31.397 29.700 0.019 0.000 1.117 409 E HN 0.228 nan 8.360 nan 0.000 0.523 410 G N 1.471 110.281 108.800 0.017 0.000 2.728 410 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.294 410 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.294 410 G C -0.275 174.635 174.900 0.017 0.000 1.342 410 G CA -0.469 44.640 45.100 0.016 0.000 0.866 410 G HN 0.468 nan 8.290 nan 0.000 0.534 411 V N -2.333 117.591 119.914 0.016 0.000 2.960 411 V HA 0.999 5.119 4.120 -0.000 0.000 0.315 411 V C 0.712 176.817 176.094 0.017 0.000 1.087 411 V CA 0.266 62.576 62.300 0.016 0.000 0.982 411 V CB 1.306 33.138 31.823 0.015 0.000 1.039 411 V HN 2.534 nan 8.190 nan 0.000 0.437 412 V N -1.020 118.905 119.914 0.018 0.000 3.165 412 V HA 1.002 5.122 4.120 -0.000 0.000 0.309 412 V C 0.361 176.467 176.094 0.020 0.000 1.267 412 V CA -0.765 61.547 62.300 0.021 0.000 1.067 412 V CB 1.150 32.986 31.823 0.022 0.000 1.082 412 V HN 2.145 nan 8.190 nan 0.000 0.451 413 A N 0.168 123.003 122.820 0.024 0.000 2.520 413 A HA 0.552 4.872 4.320 -0.000 0.000 0.245 413 A C 1.228 178.822 177.584 0.017 0.000 1.072 413 A CA 0.511 52.561 52.037 0.022 0.000 0.761 413 A CB -0.069 18.950 19.000 0.033 0.000 1.004 413 A HN 2.072 nan 8.150 nan 0.000 0.499 414 G N 1.554 110.358 108.800 0.007 0.000 3.126 414 G HA2 0.310 4.270 3.960 -0.000 0.000 0.224 414 G HA3 0.310 4.270 3.960 -0.000 0.000 0.224 414 G C 0.810 175.712 174.900 0.003 0.000 1.142 414 G CA 0.707 45.809 45.100 0.004 0.000 0.759 414 G HN 1.139 nan 8.290 nan 0.000 0.550 415 G N -0.364 108.440 108.800 0.007 0.000 3.518 415 G HA2 0.421 4.380 3.960 -0.000 0.000 0.273 415 G HA3 0.421 4.380 3.960 -0.000 0.000 0.273 415 G C 1.215 176.135 174.900 0.032 0.000 1.199 415 G CA 0.255 45.363 45.100 0.013 0.000 0.899 415 G HN 1.103 nan 8.290 nan 0.000 0.533 416 G N -0.668 108.148 108.800 0.027 0.000 2.336 416 G HA2 -0.402 3.558 3.960 -0.000 0.000 0.233 416 G HA3 -0.402 3.558 3.960 -0.000 0.000 0.233 416 G C 1.522 176.444 174.900 0.036 0.000 1.053 416 G CA 0.626 45.745 45.100 0.032 0.000 0.625 416 G HN 0.691 nan 8.290 nan 0.000 0.511 417 V N 1.670 121.610 119.914 0.042 0.000 2.242 417 V HA -0.222 3.898 4.120 -0.000 0.000 0.257 417 V C 3.404 179.525 176.094 0.045 0.000 1.073 417 V CA 3.809 66.138 62.300 0.048 0.000 1.058 417 V CB -1.654 30.195 31.823 0.044 0.000 0.664 417 V HN 1.502 nan 8.190 nan 0.000 0.451 418 A N -0.262 122.580 122.820 0.037 0.000 1.903 418 A HA -0.223 4.097 4.320 -0.000 0.000 0.219 418 A C 2.223 179.826 177.584 0.032 0.000 1.191 418 A CA 2.338 54.396 52.037 0.034 0.000 0.638 418 A CB -0.614 18.402 19.000 0.028 0.000 0.823 418 A HN 0.428 nan 8.150 nan 0.000 0.451 419 L N -0.509 120.732 121.223 0.030 0.000 2.017 419 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 419 L C 2.575 179.462 176.870 0.029 0.000 1.073 419 L CA 1.507 56.363 54.840 0.027 0.000 0.745 419 L CB -1.136 40.938 42.059 0.025 0.000 0.894 419 L HN 0.359 nan 8.230 nan 0.000 0.432 420 I N -0.168 120.422 120.570 0.034 0.000 2.248 420 I HA -0.339 3.831 4.170 -0.000 0.000 0.248 420 I C 2.745 178.884 176.117 0.037 0.000 1.107 420 I CA 1.268 62.589 61.300 0.035 0.000 1.373 420 I CB -0.486 37.540 38.000 0.043 0.000 1.055 420 I HN 0.332 nan 8.210 nan 0.000 0.418 421 R N 1.053 121.578 120.500 0.042 0.000 2.061 421 R HA -0.138 4.202 4.340 -0.000 0.000 0.230 421 R C 2.352 178.671 176.300 0.032 0.000 1.140 421 R CA 2.273 58.399 56.100 0.043 0.000 0.940 421 R CB -0.671 29.660 30.300 0.050 0.000 0.839 421 R HN 0.285 nan 8.270 nan 0.000 0.429 422 V N -0.880 119.051 119.914 0.028 0.000 2.469 422 V HA -0.118 4.002 4.120 -0.000 0.000 0.251 422 V C 2.168 178.273 176.094 0.018 0.000 1.064 422 V CA 1.829 64.141 62.300 0.021 0.000 1.066 422 V CB -1.271 30.563 31.823 0.019 0.000 0.667 422 V HN 0.414 nan 8.190 nan 0.000 0.461 423 A N 1.599 124.431 122.820 0.019 0.000 1.877 423 A HA -0.164 4.156 4.320 -0.000 0.000 0.216 423 A C 2.618 180.211 177.584 0.015 0.000 1.186 423 A CA 2.604 54.651 52.037 0.016 0.000 0.620 423 A CB -1.155 17.855 19.000 0.017 0.000 0.822 423 A HN 1.029 nan 8.150 nan 0.000 0.443 424 S N -0.513 115.197 115.700 0.018 0.000 2.474 424 S HA -0.087 4.383 4.470 -0.000 0.000 0.235 424 S C 1.751 176.359 174.600 0.013 0.000 0.997 424 S CA 1.226 59.435 58.200 0.015 0.000 0.949 424 S CB -0.251 62.960 63.200 0.019 0.000 0.766 424 S HN 0.557 nan 8.310 nan 0.000 0.517 425 K N 1.150 121.558 120.400 0.014 0.000 1.991 425 K HA 0.079 4.399 4.320 -0.000 0.000 0.207 425 K C 0.989 177.594 176.600 0.008 0.000 1.045 425 K CA 1.197 57.491 56.287 0.011 0.000 0.937 425 K CB -0.504 32.004 32.500 0.013 0.000 0.720 425 K HN 0.515 nan 8.250 nan 0.000 0.438 426 L N -0.121 121.107 121.223 0.008 0.000 2.873 426 L HA 0.321 4.661 4.340 -0.000 0.000 0.236 426 L C 0.864 177.738 176.870 0.005 0.000 1.375 426 L CA -0.205 54.639 54.840 0.006 0.000 1.239 426 L CB 0.233 42.295 42.059 0.006 0.000 1.603 426 L HN -0.101 nan 8.230 nan 0.000 0.430 427 A N -1.235 121.588 122.820 0.005 0.000 2.370 427 A HA 0.165 4.485 4.320 -0.000 0.000 0.238 427 A C 1.101 178.686 177.584 0.003 0.000 1.289 427 A CA 0.047 52.087 52.037 0.004 0.000 0.885 427 A CB -0.191 18.812 19.000 0.005 0.000 0.961 427 A HN 0.433 nan 8.150 nan 0.000 0.499 428 D N -1.041 119.361 120.400 0.002 0.000 2.423 428 D HA 0.112 4.752 4.640 -0.000 0.000 0.208 428 D C 0.359 176.660 176.300 0.002 0.000 1.068 428 D CA -0.191 53.810 54.000 0.002 0.000 0.860 428 D CB 0.027 40.827 40.800 0.001 0.000 0.992 428 D HN 0.304 nan 8.370 nan 0.000 0.504 429 L N 2.279 123.504 121.223 0.002 0.000 2.653 429 L HA -0.067 4.273 4.340 -0.000 0.000 0.288 429 L C 0.425 177.296 176.870 0.001 0.000 1.243 429 L CA 0.882 55.723 54.840 0.002 0.000 0.906 429 L CB 0.045 42.105 42.059 0.002 0.000 1.154 429 L HN -0.118 nan 8.230 nan 0.000 0.498 430 R N 3.134 123.634 120.500 0.001 0.000 2.912 430 R HA 0.763 5.103 4.340 -0.000 0.000 0.262 430 R C -0.089 176.211 176.300 0.000 0.000 1.057 430 R CA -0.354 55.747 56.100 0.001 0.000 0.981 430 R CB 1.433 31.734 30.300 0.000 0.000 1.201 430 R HN 0.774 nan 8.270 nan 0.000 0.484 431 G N -0.075 108.725 108.800 0.000 0.000 3.217 431 G HA2 0.320 4.280 3.960 -0.000 0.000 0.213 431 G HA3 0.320 4.280 3.960 -0.000 0.000 0.213 431 G C -0.211 174.689 174.900 0.000 0.000 1.294 431 G CA -0.149 44.951 45.100 0.000 0.000 0.987 431 G HN 0.352 nan 8.290 nan 0.000 0.584 432 Q N -0.547 119.253 119.800 0.000 0.000 2.388 432 Q HA 0.152 4.492 4.340 -0.000 0.000 0.204 432 Q C 1.139 177.139 176.000 0.000 0.000 0.946 432 Q CA 0.067 55.870 55.803 0.000 0.000 0.880 432 Q CB -0.115 28.623 28.738 0.000 0.000 0.997 432 Q HN 0.543 nan 8.270 nan 0.000 0.552 433 N N 1.586 120.286 118.700 0.001 0.000 2.454 433 N HA -0.088 4.652 4.740 -0.000 0.000 0.260 433 N C 0.623 176.133 175.510 0.001 0.000 1.218 433 N CA -0.077 52.973 53.050 0.001 0.000 0.904 433 N CB 0.574 39.061 38.487 0.001 0.000 1.065 433 N HN 0.254 nan 8.380 nan 0.000 0.462 434 E N 2.622 122.823 120.200 0.001 0.000 2.208 434 E HA -0.307 4.043 4.350 -0.000 0.000 0.202 434 E C 0.452 177.052 176.600 0.001 0.000 1.014 434 E CA 1.781 58.181 56.400 0.001 0.000 0.819 434 E CB 0.163 29.864 29.700 0.001 0.000 0.735 434 E HN 0.600 nan 8.360 nan 0.000 0.469 435 D N -0.239 120.162 120.400 0.001 0.000 2.224 435 D HA -0.104 4.536 4.640 -0.000 0.000 0.205 435 D C 1.759 178.060 176.300 0.002 0.000 0.965 435 D CA 0.755 54.756 54.000 0.002 0.000 0.852 435 D CB -0.060 40.741 40.800 0.002 0.000 0.947 435 D HN 0.398 nan 8.370 nan 0.000 0.494 436 Q N 0.027 119.828 119.800 0.002 0.000 2.123 436 Q HA -0.066 4.274 4.340 -0.000 0.000 0.199 436 Q C 1.746 177.747 176.000 0.002 0.000 0.966 436 Q CA 0.496 56.300 55.803 0.001 0.000 0.845 436 Q CB 0.153 28.891 28.738 0.001 0.000 0.907 436 Q HN 0.175 nan 8.270 nan 0.000 0.439 437 N N 0.265 118.966 118.700 0.001 0.000 2.007 437 N HA -0.171 4.569 4.740 -0.000 0.000 0.197 437 N C 1.908 177.419 175.510 0.002 0.000 1.050 437 N CA 1.461 54.512 53.050 0.002 0.000 0.856 437 N CB -0.753 37.735 38.487 0.001 0.000 1.050 437 N HN 0.027 nan 8.380 nan 0.000 0.423 438 V N 1.045 120.960 119.914 0.002 0.000 2.277 438 V HA -0.278 3.842 4.120 -0.000 0.000 0.253 438 V C 2.439 178.534 176.094 0.003 0.000 1.067 438 V CA 2.207 64.509 62.300 0.003 0.000 1.047 438 V CB -1.503 30.321 31.823 0.003 0.000 0.649 438 V HN 0.440 nan 8.190 nan 0.000 0.447 439 G N -0.007 108.795 108.800 0.003 0.000 2.491 439 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.218 439 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.218 439 G C 1.531 176.433 174.900 0.003 0.000 1.180 439 G CA 1.376 46.478 45.100 0.003 0.000 0.774 439 G HN 0.526 nan 8.290 nan 0.000 0.562 440 I N 0.442 121.013 120.570 0.003 0.000 2.163 440 I HA -0.190 3.980 4.170 -0.000 0.000 0.243 440 I C 2.838 178.957 176.117 0.004 0.000 1.085 440 I CA 1.480 62.782 61.300 0.003 0.000 1.347 440 I CB -0.221 37.780 38.000 0.002 0.000 1.044 440 I HN 0.097 nan 8.210 nan 0.000 0.408 441 K N 0.457 120.859 120.400 0.004 0.000 2.026 441 K HA -0.138 4.182 4.320 -0.000 0.000 0.208 441 K C 2.177 178.780 176.600 0.005 0.000 1.048 441 K CA 1.369 57.658 56.287 0.004 0.000 0.929 441 K CB -0.379 32.123 32.500 0.003 0.000 0.713 441 K HN 0.108 nan 8.250 nan 0.000 0.439 442 V N 1.563 121.480 119.914 0.005 0.000 2.278 442 V HA -0.351 3.769 4.120 -0.000 0.000 0.251 442 V C 2.377 178.475 176.094 0.007 0.000 1.062 442 V CA 2.296 64.600 62.300 0.006 0.000 1.038 442 V CB -0.706 31.121 31.823 0.006 0.000 0.646 442 V HN 0.438 nan 8.190 nan 0.000 0.447 443 A N -1.077 121.747 122.820 0.007 0.000 1.898 443 A HA -0.104 4.216 4.320 -0.000 0.000 0.216 443 A C 2.212 179.801 177.584 0.008 0.000 1.181 443 A CA 1.626 53.668 52.037 0.007 0.000 0.620 443 A CB -0.449 18.554 19.000 0.005 0.000 0.819 443 A HN 0.492 nan 8.150 nan 0.000 0.442 444 L N -0.957 120.271 121.223 0.007 0.000 2.017 444 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 444 L C 2.838 179.714 176.870 0.010 0.000 1.073 444 L CA 1.806 56.651 54.840 0.008 0.000 0.745 444 L CB -0.406 41.657 42.059 0.007 0.000 0.894 444 L HN 0.486 nan 8.230 nan 0.000 0.432 445 R N 0.293 120.798 120.500 0.009 0.000 2.189 445 R HA -0.088 4.252 4.340 -0.000 0.000 0.218 445 R C 2.079 178.386 176.300 0.010 0.000 1.074 445 R CA 0.987 57.092 56.100 0.009 0.000 0.991 445 R CB -0.041 30.263 30.300 0.007 0.000 0.883 445 R HN 0.311 nan 8.270 nan 0.000 0.457 446 A N 0.806 123.633 122.820 0.011 0.000 2.067 446 A HA -0.076 4.244 4.320 -0.000 0.000 0.219 446 A C 1.990 179.583 177.584 0.015 0.000 1.158 446 A CA 0.945 52.989 52.037 0.013 0.000 0.661 446 A CB -0.257 18.751 19.000 0.013 0.000 0.801 446 A HN 0.343 nan 8.150 nan 0.000 0.452 447 M N -0.482 119.127 119.600 0.015 0.000 2.562 447 M HA -0.049 4.431 4.480 -0.000 0.000 0.257 447 M C 1.188 177.500 176.300 0.019 0.000 1.099 447 M CA 0.813 56.124 55.300 0.017 0.000 1.099 447 M CB -0.201 32.409 32.600 0.017 0.000 1.427 447 M HN 0.449 nan 8.290 nan 0.000 0.489 448 E N 0.657 120.868 120.200 0.018 0.000 2.481 448 E HA 0.043 4.393 4.350 -0.000 0.000 0.195 448 E C 2.021 178.632 176.600 0.018 0.000 1.047 448 E CA 0.430 56.841 56.400 0.019 0.000 0.867 448 E CB 0.033 29.742 29.700 0.015 0.000 0.858 448 E HN 0.471 nan 8.360 nan 0.000 0.513 449 A N 2.715 125.545 122.820 0.017 0.000 1.865 449 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 449 A C -0.216 177.379 177.584 0.018 0.000 1.191 449 A CA 1.314 53.361 52.037 0.016 0.000 0.623 449 A CB -1.468 17.542 19.000 0.015 0.000 0.826 449 A HN 0.133 nan 8.150 nan 0.000 0.444 450 P HA -0.157 nan 4.420 nan 0.000 0.214 450 P C 1.771 179.087 177.300 0.028 0.000 1.163 450 P CA 1.100 64.213 63.100 0.022 0.000 0.883 450 P CB -0.110 31.603 31.700 0.022 0.000 0.788 451 L N -0.493 120.750 121.223 0.033 0.000 1.989 451 L HA -0.164 4.176 4.340 -0.000 0.000 0.211 451 L C 2.461 179.354 176.870 0.037 0.000 1.071 451 L CA 1.941 56.808 54.840 0.045 0.000 0.749 451 L CB -0.799 41.290 42.059 0.051 0.000 0.890 451 L HN -0.277 nan 8.230 nan 0.000 0.431 452 R N -0.997 119.517 120.500 0.023 0.000 2.119 452 R HA -0.265 4.075 4.340 -0.000 0.000 0.246 452 R C 2.381 178.691 176.300 0.016 0.000 1.146 452 R CA 1.994 58.102 56.100 0.013 0.000 0.962 452 R CB -0.391 29.914 30.300 0.009 0.000 0.863 452 R HN 0.465 nan 8.270 nan 0.000 0.442 453 Q N 0.408 120.220 119.800 0.020 0.000 2.046 453 Q HA -0.066 4.274 4.340 -0.000 0.000 0.200 453 Q C 1.856 177.871 176.000 0.025 0.000 0.975 453 Q CA 1.488 57.302 55.803 0.019 0.000 0.836 453 Q CB -0.047 28.700 28.738 0.016 0.000 0.896 453 Q HN 0.277 nan 8.270 nan 0.000 0.428 454 I N -0.203 120.387 120.570 0.034 0.000 2.118 454 I HA -0.289 3.881 4.170 -0.000 0.000 0.241 454 I C 2.156 178.309 176.117 0.060 0.000 1.070 454 I CA 1.227 62.553 61.300 0.043 0.000 1.327 454 I CB -1.071 36.961 38.000 0.053 0.000 1.034 454 I HN 0.110 nan 8.210 nan 0.000 0.405 455 V N 0.922 120.880 119.914 0.073 0.000 2.324 455 V HA -0.287 3.833 4.120 -0.000 0.000 0.250 455 V C 2.553 178.671 176.094 0.041 0.000 1.060 455 V CA 1.802 64.146 62.300 0.073 0.000 1.042 455 V CB -0.641 31.186 31.823 0.005 0.000 0.650 455 V HN 0.325 nan 8.190 nan 0.000 0.450 456 L N 0.648 121.886 121.223 0.024 0.000 1.994 456 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 456 L C 2.265 179.146 176.870 0.018 0.000 1.071 456 L CA 2.003 56.852 54.840 0.015 0.000 0.745 456 L CB -0.896 41.169 42.059 0.011 0.000 0.892 456 L HN 0.312 nan 8.230 nan 0.000 0.431 457 N N -0.731 117.981 118.700 0.020 0.000 2.137 457 N HA -0.223 4.516 4.740 -0.000 0.000 0.190 457 N C 1.776 177.297 175.510 0.018 0.000 1.017 457 N CA 1.849 54.909 53.050 0.016 0.000 0.859 457 N CB -0.961 37.535 38.487 0.015 0.000 1.002 457 N HN 0.453 nan 8.380 nan 0.000 0.428 458 C N -0.773 118.545 119.300 0.029 0.000 2.472 458 C HA 0.221 4.680 4.460 -0.000 0.000 0.278 458 C C 1.739 176.746 174.990 0.029 0.000 1.447 458 C CA 0.411 59.449 59.018 0.032 0.000 1.773 458 C CB -1.225 26.552 27.740 0.061 0.000 1.793 458 C HN 0.660 nan 8.230 nan 0.000 0.544 459 G N 0.826 109.640 108.800 0.024 0.000 2.143 459 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.249 459 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.249 459 G C -0.202 174.709 174.900 0.018 0.000 0.981 459 G CA 0.216 45.327 45.100 0.018 0.000 0.665 459 G HN 0.593 nan 8.290 nan 0.000 0.528 460 E N 0.464 120.678 120.200 0.024 0.000 2.254 460 E HA 0.413 4.763 4.350 -0.000 0.000 0.261 460 E C -0.008 176.584 176.600 -0.012 0.000 1.051 460 E CA -0.855 55.550 56.400 0.009 0.000 0.902 460 E CB 0.977 30.686 29.700 0.015 0.000 1.168 460 E HN 0.369 nan 8.360 nan 0.000 0.423 461 E N 1.670 121.853 120.200 -0.028 0.000 2.366 461 E HA 0.030 4.380 4.350 -0.000 0.000 0.266 461 E C -1.718 174.849 176.600 -0.054 0.000 1.015 461 E CA -1.258 55.122 56.400 -0.033 0.000 0.906 461 E CB 0.741 30.423 29.700 -0.030 0.000 0.979 461 E HN 0.243 nan 8.360 nan 0.000 0.443 462 P HA -0.137 nan 4.420 nan 0.000 0.211 462 P C 1.561 178.838 177.300 -0.039 0.000 1.188 462 P CA 1.130 64.208 63.100 -0.037 0.000 0.904 462 P CB -0.017 31.674 31.700 -0.016 0.000 0.765 463 S N -0.200 115.485 115.700 -0.025 0.000 2.393 463 S HA -0.229 4.241 4.470 -0.000 0.000 0.234 463 S C 2.036 176.620 174.600 -0.028 0.000 1.064 463 S CA 2.296 60.484 58.200 -0.020 0.000 1.088 463 S CB -2.011 61.180 63.200 -0.014 0.000 0.939 463 S HN -0.053 nan 8.310 nan 0.000 0.448 464 V N 1.292 121.185 119.914 -0.036 0.000 2.307 464 V HA -0.095 4.025 4.120 -0.000 0.000 0.245 464 V C 2.718 178.782 176.094 -0.051 0.000 1.045 464 V CA 1.641 63.919 62.300 -0.037 0.000 1.024 464 V CB -0.742 31.064 31.823 -0.029 0.000 0.651 464 V HN 0.494 nan 8.190 nan 0.000 0.449 465 V N 0.231 120.086 119.914 -0.099 0.000 2.343 465 V HA -0.260 3.860 4.120 -0.000 0.000 0.247 465 V C 2.671 178.739 176.094 -0.044 0.000 1.051 465 V CA 1.967 64.185 62.300 -0.138 0.000 1.036 465 V CB -1.045 30.514 31.823 -0.439 0.000 0.654 465 V HN 0.559 nan 8.190 nan 0.000 0.451 466 A N 0.815 123.613 122.820 -0.038 0.000 1.851 466 A HA -0.336 3.984 4.320 -0.000 0.000 0.216 466 A C 2.068 179.653 177.584 0.002 0.000 1.195 466 A CA 2.511 54.546 52.037 -0.004 0.000 0.622 466 A CB -1.031 17.967 19.000 -0.004 0.000 0.831 466 A HN 0.677 nan 8.150 nan 0.000 0.444 467 N N -0.344 118.348 118.700 -0.012 0.000 2.060 467 N HA -0.218 4.522 4.740 -0.000 0.000 0.195 467 N C 1.784 177.282 175.510 -0.020 0.000 1.028 467 N CA 3.403 56.444 53.050 -0.014 0.000 0.861 467 N CB -0.582 37.893 38.487 -0.021 0.000 1.029 467 N HN 0.513 nan 8.380 nan 0.000 0.428 468 T N -2.199 112.325 114.554 -0.052 0.000 2.951 468 T HA 0.004 4.354 4.350 -0.000 0.000 0.268 468 T C 1.904 176.600 174.700 -0.008 0.000 1.073 468 T CA 1.174 63.216 62.100 -0.098 0.000 1.134 468 T CB -0.640 68.058 68.868 -0.283 0.000 0.884 468 T HN 0.037 nan 8.240 nan 0.000 0.479 469 V N 1.856 121.794 119.914 0.040 0.000 2.295 469 V HA -0.125 3.995 4.120 -0.000 0.000 0.246 469 V C 2.860 179.035 176.094 0.135 0.000 1.049 469 V CA 1.861 64.234 62.300 0.122 0.000 1.024 469 V CB -0.529 31.361 31.823 0.110 0.000 0.648 469 V HN 0.526 nan 8.190 nan 0.000 0.447 470 K N 0.342 120.785 120.400 0.072 0.000 2.113 470 K HA -0.165 4.155 4.320 -0.000 0.000 0.208 470 K C 2.157 178.784 176.600 0.045 0.000 1.047 470 K CA 1.572 57.890 56.287 0.053 0.000 0.928 470 K CB -0.709 31.807 32.500 0.027 0.000 0.716 470 K HN 0.577 nan 8.250 nan 0.000 0.446 471 G N 1.042 109.862 108.800 0.033 0.000 2.498 471 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.219 471 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.219 471 G C 0.821 175.704 174.900 -0.028 0.000 1.119 471 G CA 0.841 45.938 45.100 -0.005 0.000 0.766 471 G HN 0.385 nan 8.290 nan 0.000 0.552 472 G N -1.092 107.723 108.800 0.026 0.000 2.695 472 G HA2 0.526 4.486 3.960 -0.000 0.000 0.213 472 G HA3 0.526 4.486 3.960 -0.000 0.000 0.213 472 G C -1.026 173.876 174.900 0.003 0.000 1.406 472 G CA -0.445 44.614 45.100 -0.069 0.000 1.049 472 G HN 0.142 nan 8.290 nan 0.000 0.573 473 D N -1.926 118.484 120.400 0.016 0.000 2.570 473 D HA 0.486 5.126 4.640 -0.000 0.000 0.244 473 D C 0.768 177.117 176.300 0.082 0.000 1.178 473 D CA 0.567 54.588 54.000 0.035 0.000 0.881 473 D CB 2.000 42.795 40.800 -0.008 0.000 1.453 473 D HN 0.873 nan 8.370 nan 0.000 0.447 474 G N 1.697 110.535 108.800 0.064 0.000 2.622 474 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.307 474 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.307 474 G C 0.337 175.293 174.900 0.093 0.000 1.226 474 G CA 0.124 45.264 45.100 0.067 0.000 0.997 474 G HN 0.585 nan 8.290 nan 0.000 0.551 475 N N 0.472 119.232 118.700 0.100 0.000 2.376 475 N HA 0.176 4.916 4.740 -0.000 0.000 0.249 475 N C -0.153 175.445 175.510 0.147 0.000 1.140 475 N CA 0.012 53.122 53.050 0.100 0.000 0.870 475 N CB 0.342 38.869 38.487 0.067 0.000 1.124 475 N HN 0.464 nan 8.380 nan 0.000 0.505 476 Y N 1.297 121.626 120.300 0.048 0.000 2.442 476 Y HA 0.404 4.954 4.550 -0.000 0.000 0.330 476 Y C 0.824 176.784 175.900 0.101 0.000 1.129 476 Y CA 0.173 58.315 58.100 0.070 0.000 1.365 476 Y CB 0.385 38.877 38.460 0.053 0.000 1.233 476 Y HN 0.151 nan 8.280 nan 0.000 0.529 477 G N 3.887 112.473 108.800 -0.357 0.000 2.634 477 G HA2 0.264 4.224 3.960 -0.000 0.000 0.309 477 G HA3 0.264 4.224 3.960 -0.000 0.000 0.309 477 G C -2.481 172.361 174.900 -0.097 0.000 1.299 477 G CA -0.889 44.109 45.100 -0.171 0.000 0.798 477 G HN 0.526 nan 8.290 nan 0.000 0.490 478 Y N 1.217 121.459 120.300 -0.097 0.000 2.352 478 Y HA 0.654 5.204 4.550 -0.000 0.000 0.339 478 Y C -0.367 175.423 175.900 -0.183 0.000 0.992 478 Y CA -1.525 56.456 58.100 -0.198 0.000 1.100 478 Y CB 1.890 40.267 38.460 -0.138 0.000 1.192 478 Y HN 0.445 nan 8.280 nan 0.000 0.458 479 N N 4.665 122.963 118.700 -0.670 0.000 2.589 479 N HA 0.262 5.002 4.740 -0.000 0.000 0.232 479 N C 0.363 175.385 175.510 -0.814 0.000 1.015 479 N CA 0.375 53.101 53.050 -0.539 0.000 0.931 479 N CB 1.101 39.384 38.487 -0.340 0.000 1.150 479 N HN 0.850 nan 8.380 nan 0.000 0.512 480 A N 3.442 125.873 122.820 -0.647 0.000 2.024 480 A HA -0.092 4.228 4.320 -0.000 0.000 0.220 480 A C 2.058 179.465 177.584 -0.295 0.000 1.164 480 A CA 1.799 53.549 52.037 -0.478 0.000 0.643 480 A CB -0.648 18.300 19.000 -0.086 0.000 0.806 480 A HN 0.711 nan 8.150 nan 0.000 0.451 481 A N -0.601 122.075 122.820 -0.241 0.000 1.902 481 A HA -0.059 4.261 4.320 -0.000 0.000 0.217 481 A C 2.283 179.769 177.584 -0.163 0.000 1.181 481 A CA 2.357 54.300 52.037 -0.156 0.000 0.623 481 A CB -0.822 18.107 19.000 -0.119 0.000 0.818 481 A HN 0.875 nan 8.150 nan 0.000 0.443 482 T N -3.074 111.345 114.554 -0.225 0.000 3.044 482 T HA 0.226 4.576 4.350 -0.000 0.000 0.260 482 T C 0.203 174.767 174.700 -0.227 0.000 1.019 482 T CA 0.679 62.669 62.100 -0.183 0.000 0.921 482 T CB -0.380 68.397 68.868 -0.153 0.000 1.053 482 T HN 0.655 nan 8.240 nan 0.000 0.533 483 E N 0.719 120.688 120.200 -0.385 0.000 2.360 483 E HA -0.215 4.134 4.350 -0.000 0.000 0.238 483 E C -0.845 175.549 176.600 -0.343 0.000 1.186 483 E CA 0.614 56.760 56.400 -0.424 0.000 0.719 483 E CB -2.417 27.234 29.700 -0.083 0.000 1.236 483 E HN 0.743 nan 8.360 nan 0.000 0.386 484 E N -0.219 119.732 120.200 -0.415 0.000 2.212 484 E HA 0.490 4.840 4.350 -0.000 0.000 0.268 484 E C -0.668 175.732 176.600 -0.334 0.000 0.902 484 E CA -0.794 55.448 56.400 -0.265 0.000 0.779 484 E CB 0.996 30.626 29.700 -0.117 0.000 1.172 484 E HN 0.141 nan 8.360 nan 0.000 0.409 485 Y N 0.701 121.002 120.300 0.001 0.000 2.316 485 Y HA 0.650 5.200 4.550 -0.000 0.000 0.324 485 Y C 1.139 176.978 175.900 -0.102 0.000 1.267 485 Y CA 0.243 58.269 58.100 -0.125 0.000 1.311 485 Y CB 1.492 39.883 38.460 -0.115 0.000 1.267 485 Y HN 0.662 nan 8.280 nan 0.000 0.516 486 G N 0.553 109.305 108.800 -0.081 0.000 2.336 486 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.286 486 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.286 486 G C -1.883 173.069 174.900 0.087 0.000 1.269 486 G CA -1.167 43.997 45.100 0.106 0.000 0.873 486 G HN 0.535 nan 8.290 nan 0.000 0.494 487 N N 1.224 120.001 118.700 0.127 0.000 2.406 487 N HA 0.125 4.865 4.740 -0.000 0.000 0.251 487 N C 1.706 177.238 175.510 0.037 0.000 1.069 487 N CA -0.516 52.596 53.050 0.104 0.000 0.947 487 N CB 0.778 39.325 38.487 0.099 0.000 1.111 487 N HN 0.383 nan 8.380 nan 0.000 0.497 488 M N 3.538 123.150 119.600 0.019 0.000 2.202 488 M HA -0.167 4.313 4.480 -0.000 0.000 0.262 488 M C 1.663 177.962 176.300 -0.001 0.000 1.063 488 M CA 1.227 56.523 55.300 -0.008 0.000 1.097 488 M CB -0.470 32.126 32.600 -0.005 0.000 1.382 488 M HN 0.593 nan 8.290 nan 0.000 0.413 489 I N -0.080 120.500 120.570 0.016 0.000 2.277 489 I HA -0.237 3.933 4.170 -0.000 0.000 0.243 489 I C 1.872 177.995 176.117 0.010 0.000 1.094 489 I CA 0.909 62.217 61.300 0.013 0.000 1.393 489 I CB -0.326 37.686 38.000 0.021 0.000 1.078 489 I HN 0.167 nan 8.210 nan 0.000 0.417 490 D N 0.872 121.282 120.400 0.017 0.000 2.116 490 D HA -0.213 4.427 4.640 -0.000 0.000 0.193 490 D C 2.090 178.392 176.300 0.003 0.000 0.998 490 D CA 1.616 55.625 54.000 0.015 0.000 0.836 490 D CB -0.249 40.567 40.800 0.026 0.000 0.951 490 D HN 0.284 nan 8.370 nan 0.000 0.449 491 M N -0.697 118.900 119.600 -0.004 0.000 2.686 491 M HA 0.100 4.580 4.480 -0.000 0.000 0.246 491 M C 1.039 177.323 176.300 -0.027 0.000 1.096 491 M CA 0.779 56.065 55.300 -0.022 0.000 1.076 491 M CB 0.163 32.738 32.600 -0.042 0.000 1.504 491 M HN 0.124 nan 8.290 nan 0.000 0.524 492 G N 1.574 110.364 108.800 -0.017 0.000 2.160 492 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.244 492 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.244 492 G C -0.215 174.672 174.900 -0.022 0.000 1.022 492 G CA -0.377 44.713 45.100 -0.017 0.000 0.741 492 G HN 0.387 nan 8.290 nan 0.000 0.508 493 I N 1.424 121.978 120.570 -0.026 0.000 2.388 493 I HA 0.551 4.721 4.170 -0.000 0.000 0.281 493 I C 0.497 176.606 176.117 -0.014 0.000 1.046 493 I CA -1.067 60.216 61.300 -0.028 0.000 1.187 493 I CB 0.399 38.371 38.000 -0.047 0.000 1.351 493 I HN 0.392 nan 8.210 nan 0.000 0.472 494 L N 2.738 123.957 121.223 -0.007 0.000 2.393 494 L HA 0.824 5.164 4.340 -0.000 0.000 0.260 494 L C -1.441 175.431 176.870 0.003 0.000 1.002 494 L CA -0.667 54.174 54.840 0.002 0.000 0.818 494 L CB 3.144 45.206 42.059 0.005 0.000 1.369 494 L HN 0.092 nan 8.230 nan 0.000 0.412 495 D N 1.597 122.002 120.400 0.008 0.000 2.350 495 D HA 0.527 5.167 4.640 -0.000 0.000 0.245 495 D C -2.630 173.677 176.300 0.012 0.000 1.036 495 D CA -1.335 52.670 54.000 0.008 0.000 0.848 495 D CB 2.382 43.188 40.800 0.009 0.000 1.307 495 D HN 0.377 nan 8.370 nan 0.000 0.469 496 P HA 0.044 nan 4.420 nan 0.000 0.267 496 P C 0.793 178.103 177.300 0.017 0.000 1.200 496 P CA 0.030 63.139 63.100 0.016 0.000 0.772 496 P CB 0.671 32.381 31.700 0.018 0.000 0.855 497 T N 1.508 116.073 114.554 0.018 0.000 2.777 497 T HA -0.158 4.192 4.350 -0.000 0.000 0.266 497 T C 1.648 176.360 174.700 0.020 0.000 1.040 497 T CA 1.042 63.153 62.100 0.018 0.000 1.141 497 T CB -0.346 68.533 68.868 0.018 0.000 0.868 497 T HN 0.476 nan 8.240 nan 0.000 0.444 498 K N 0.699 121.113 120.400 0.022 0.000 2.052 498 K HA -0.183 4.137 4.320 -0.000 0.000 0.215 498 K C 2.435 179.054 176.600 0.031 0.000 1.053 498 K CA 1.950 58.253 56.287 0.027 0.000 0.934 498 K CB -0.557 31.960 32.500 0.028 0.000 0.717 498 K HN 0.324 nan 8.250 nan 0.000 0.450 499 V N -0.204 119.723 119.914 0.022 0.000 2.379 499 V HA -0.167 3.953 4.120 -0.000 0.000 0.245 499 V C 1.836 177.946 176.094 0.028 0.000 1.044 499 V CA 2.431 64.743 62.300 0.020 0.000 1.036 499 V CB -0.541 31.281 31.823 -0.001 0.000 0.664 499 V HN 0.336 nan 8.190 nan 0.000 0.453 500 T N 0.500 115.068 114.554 0.024 0.000 2.746 500 T HA -0.160 4.190 4.350 -0.000 0.000 0.267 500 T C 1.917 176.635 174.700 0.031 0.000 1.039 500 T CA 2.140 64.255 62.100 0.025 0.000 1.142 500 T CB -0.348 68.533 68.868 0.021 0.000 0.866 500 T HN 0.639 nan 8.240 nan 0.000 0.444 501 R N 0.975 121.492 120.500 0.029 0.000 2.088 501 R HA -0.123 4.217 4.340 -0.000 0.000 0.232 501 R C 2.599 178.922 176.300 0.038 0.000 1.136 501 R CA 2.041 58.156 56.100 0.024 0.000 0.926 501 R CB -0.607 29.703 30.300 0.016 0.000 0.837 501 R HN 0.251 nan 8.270 nan 0.000 0.429 502 S N 0.965 116.705 115.700 0.068 0.000 2.380 502 S HA -0.311 4.159 4.470 -0.000 0.000 0.229 502 S C 2.125 176.856 174.600 0.218 0.000 1.050 502 S CA 1.676 59.970 58.200 0.158 0.000 1.100 502 S CB -0.792 62.524 63.200 0.193 0.000 0.984 502 S HN 0.635 nan 8.310 nan 0.000 0.434 503 A N 1.510 124.413 122.820 0.139 0.000 1.896 503 A HA -0.194 4.126 4.320 -0.000 0.000 0.220 503 A C 2.176 179.824 177.584 0.106 0.000 1.206 503 A CA 1.962 54.066 52.037 0.112 0.000 0.647 503 A CB -1.008 18.026 19.000 0.056 0.000 0.828 503 A HN 0.469 nan 8.150 nan 0.000 0.455 504 L N -1.155 120.107 121.223 0.065 0.000 2.027 504 L HA -0.239 4.101 4.340 -0.000 0.000 0.206 504 L C 2.885 179.769 176.870 0.023 0.000 1.074 504 L CA 2.133 56.996 54.840 0.039 0.000 0.745 504 L CB -0.601 41.470 42.059 0.021 0.000 0.898 504 L HN 0.556 nan 8.230 nan 0.000 0.433 505 Q N -1.264 118.530 119.800 -0.010 0.000 2.096 505 Q HA -0.261 4.079 4.340 -0.000 0.000 0.204 505 Q C 2.007 177.935 176.000 -0.120 0.000 0.982 505 Q CA 2.062 57.806 55.803 -0.098 0.000 0.850 505 Q CB -0.186 28.441 28.738 -0.184 0.000 0.901 505 Q HN 0.475 nan 8.270 nan 0.000 0.422 506 Y N -0.252 120.048 120.300 -0.000 0.000 2.263 506 Y HA -0.140 4.410 4.550 -0.000 0.000 0.292 506 Y C 2.284 178.184 175.900 0.000 0.000 1.130 506 Y CA 1.005 59.105 58.100 -0.001 0.000 1.179 506 Y CB -0.421 38.037 38.460 -0.003 0.000 0.998 506 Y HN 0.135 nan 8.280 nan 0.000 0.532 507 A N -0.189 122.723 122.820 0.153 0.000 1.933 507 A HA -0.115 4.205 4.320 -0.000 0.000 0.218 507 A C 2.411 180.029 177.584 0.056 0.000 1.175 507 A CA 1.725 53.816 52.037 0.090 0.000 0.628 507 A CB -1.151 17.886 19.000 0.062 0.000 0.814 507 A HN 0.381 nan 8.150 nan 0.000 0.444 508 A N -0.527 122.313 122.820 0.032 0.000 1.969 508 A HA -0.044 4.276 4.320 -0.000 0.000 0.218 508 A C 2.451 180.038 177.584 0.006 0.000 1.169 508 A CA 2.046 54.089 52.037 0.010 0.000 0.635 508 A CB -0.821 18.175 19.000 -0.007 0.000 0.810 508 A HN 0.682 nan 8.150 nan 0.000 0.445 509 S N -0.572 115.129 115.700 0.002 0.000 2.343 509 S HA -0.143 4.327 4.470 -0.000 0.000 0.219 509 S C 1.948 176.567 174.600 0.032 0.000 1.033 509 S CA 1.773 59.974 58.200 0.002 0.000 1.014 509 S CB -0.727 62.464 63.200 -0.016 0.000 0.915 509 S HN 0.565 nan 8.310 nan 0.000 0.435 510 V N 1.635 121.585 119.914 0.059 0.000 2.594 510 V HA 0.040 4.160 4.120 -0.000 0.000 0.253 510 V C 2.581 178.697 176.094 0.036 0.000 1.069 510 V CA 1.863 64.195 62.300 0.053 0.000 1.082 510 V CB -1.004 30.858 31.823 0.064 0.000 0.680 510 V HN 0.644 nan 8.190 nan 0.000 0.469 511 A N -0.188 122.651 122.820 0.031 0.000 1.898 511 A HA 0.098 4.418 4.320 -0.000 0.000 0.214 511 A C 2.353 179.948 177.584 0.018 0.000 1.183 511 A CA 1.451 53.502 52.037 0.023 0.000 0.622 511 A CB -1.253 17.759 19.000 0.021 0.000 0.824 511 A HN 0.580 nan 8.150 nan 0.000 0.444 512 G N -0.002 108.807 108.800 0.015 0.000 2.446 512 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.217 512 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.217 512 G C 1.402 176.311 174.900 0.015 0.000 1.168 512 G CA 1.199 46.306 45.100 0.011 0.000 0.771 512 G HN 0.313 nan 8.290 nan 0.000 0.551 513 L N 0.365 121.599 121.223 0.018 0.000 2.013 513 L HA -0.051 4.289 4.340 -0.000 0.000 0.212 513 L C 3.038 179.920 176.870 0.021 0.000 1.073 513 L CA 1.548 56.400 54.840 0.020 0.000 0.753 513 L CB -0.707 41.367 42.059 0.026 0.000 0.890 513 L HN 0.258 nan 8.230 nan 0.000 0.432 514 M N -1.709 117.904 119.600 0.022 0.000 2.099 514 M HA -0.198 4.281 4.480 -0.000 0.000 0.262 514 M C 2.206 178.517 176.300 0.019 0.000 1.067 514 M CA 1.608 56.921 55.300 0.021 0.000 1.124 514 M CB -0.337 32.276 32.600 0.022 0.000 1.353 514 M HN 0.145 nan 8.290 nan 0.000 0.410 515 I N 0.158 120.738 120.570 0.017 0.000 2.657 515 I HA -0.222 3.947 4.170 -0.000 0.000 0.261 515 I C 1.578 177.705 176.117 0.016 0.000 1.212 515 I CA 1.275 62.584 61.300 0.015 0.000 1.453 515 I CB -0.408 37.599 38.000 0.012 0.000 1.092 515 I HN 0.403 nan 8.210 nan 0.000 0.452 516 T N -4.278 110.286 114.554 0.018 0.000 3.182 516 T HA 0.182 4.532 4.350 -0.000 0.000 0.277 516 T C 0.527 175.241 174.700 0.024 0.000 1.013 516 T CA -0.319 61.793 62.100 0.020 0.000 0.900 516 T CB -0.246 68.632 68.868 0.017 0.000 1.098 516 T HN -0.084 nan 8.240 nan 0.000 0.543 517 T N 2.654 117.223 114.554 0.024 0.000 2.780 517 T HA 0.298 4.647 4.350 -0.000 0.000 0.294 517 T C 0.600 175.320 174.700 0.034 0.000 0.949 517 T CA -0.438 61.678 62.100 0.027 0.000 1.074 517 T CB 1.373 70.254 68.868 0.023 0.000 0.910 517 T HN 0.118 nan 8.240 nan 0.000 0.501 518 E N 0.664 120.892 120.200 0.047 0.000 2.490 518 E HA 0.175 4.525 4.350 -0.000 0.000 0.209 518 E C 0.159 176.810 176.600 0.085 0.000 0.971 518 E CA 0.089 56.537 56.400 0.081 0.000 0.988 518 E CB 0.736 30.498 29.700 0.105 0.000 1.029 518 E HN 0.538 nan 8.360 nan 0.000 0.496 519 C N 0.416 119.719 119.300 0.005 0.000 2.985 519 C HA 0.679 5.139 4.460 -0.000 0.000 0.314 519 C C -1.449 173.481 174.990 -0.101 0.000 1.215 519 C CA -0.555 58.379 59.018 -0.140 0.000 1.414 519 C CB 0.797 28.451 27.740 -0.144 0.000 1.842 519 C HN 0.137 nan 8.230 nan 0.000 0.477 520 M N 4.981 124.504 119.600 -0.128 0.000 2.224 520 M HA 0.468 4.948 4.480 -0.000 0.000 0.281 520 M C -1.252 175.106 176.300 0.097 0.000 1.025 520 M CA -0.402 54.932 55.300 0.057 0.000 0.954 520 M CB 1.986 34.721 32.600 0.225 0.000 1.639 520 M HN 0.399 nan 8.290 nan 0.000 0.461 521 V N 1.809 121.729 119.914 0.009 0.000 2.495 521 V HA 0.836 4.956 4.120 -0.000 0.000 0.298 521 V C -0.145 175.871 176.094 -0.130 0.000 1.031 521 V CA -0.316 61.959 62.300 -0.041 0.000 0.871 521 V CB 1.986 33.781 31.823 -0.047 0.000 0.988 521 V HN 0.932 nan 8.190 nan 0.000 0.432 522 T N 2.072 116.502 114.554 -0.206 0.000 2.739 522 T HA 0.292 4.642 4.350 -0.000 0.000 0.303 522 T C -1.546 173.027 174.700 -0.211 0.000 1.389 522 T CA -0.640 61.286 62.100 -0.289 0.000 1.001 522 T CB 1.919 70.431 68.868 -0.593 0.000 1.436 522 T HN 0.667 nan 8.240 nan 0.000 0.500 523 D N 1.523 121.817 120.400 -0.177 0.000 2.344 523 D HA 0.274 4.914 4.640 -0.000 0.000 0.244 523 D C 0.215 176.452 176.300 -0.104 0.000 1.134 523 D CA -0.175 53.759 54.000 -0.110 0.000 0.930 523 D CB 0.786 41.537 40.800 -0.082 0.000 1.175 523 D HN 0.412 nan 8.370 nan 0.000 0.437 524 L N 2.526 123.717 121.223 -0.054 0.000 2.453 524 L HA 0.096 4.436 4.340 -0.000 0.000 0.272 524 L C -1.298 175.555 176.870 -0.028 0.000 1.182 524 L CA -1.343 53.481 54.840 -0.027 0.000 0.858 524 L CB 0.071 42.126 42.059 -0.007 0.000 1.120 524 L HN 0.246 nan 8.230 nan 0.000 0.474 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.095 63.100 -0.009 0.000 0.800 525 P CB 0.000 31.708 31.700 0.013 0.000 0.726