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 2zle_1_M DATA FIRST_RESID 4703 DATA SEQUENCE QMPSLAPMLE KVMPSVVSIN VEGSTTVNTP RMPRNFQQFF GGQQQKFMAL DATA SEQUENCE GSGVIIDADK GYVVTNNHVV DNATVIKVQL SDGRKFDAKM VGKDPRSDIA DATA SEQUENCE LIQIQNPKNL TAIKMADSDA LRVGDYTVAI GNPFGLGETV TSGIVSALGR DATA SEQUENCE ENFIQTDAAI NRGNSGGALV NLNGELIGIN TAILAPDGGN IGIGFAIPSN DATA SEQUENCE MVKNLTSQMV EYGQVKRGEL GIMGTELNSE LAKAMKVDAQ RGAFVSQVLP DATA SEQUENCE NSSAAKAGIK AGDVITSLNG KPISSFAALR AQVGTMPVGS KLTLGLLRDG DATA SEQUENCE KQVNVNLELQ QSSQNQVDSS SIFNEMSNKG KDQGVVVNNV KTGTPAAQIG DATA SEQUENCE LKKGDVIIGA NQQAVKNIAE LRKVLDSKPS VLALNIQRGD STIYLL 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 4703 Q HA 0.000 nan 4.340 nan 0.000 0.214 4703 Q C 0.000 175.996 176.000 -0.006 0.000 1.003 4703 Q CA 0.000 55.800 55.803 -0.004 0.000 1.022 4703 Q CB 0.000 28.735 28.738 -0.004 0.000 1.108 4704 M N 0.951 120.546 119.600 -0.008 0.000 2.472 4704 M HA 0.825 5.307 4.480 0.002 0.000 0.331 4704 M C -2.103 174.188 176.300 -0.015 0.000 1.170 4704 M CA -1.839 53.454 55.300 -0.011 0.000 1.009 4704 M CB 0.278 32.872 32.600 -0.010 0.000 1.672 4704 M HN 0.174 nan 8.290 nan 0.000 0.453 4705 P HA 0.306 nan 4.420 nan 0.000 0.269 4705 P C -0.959 176.323 177.300 -0.029 0.000 1.215 4705 P CA -0.223 62.860 63.100 -0.028 0.000 0.780 4705 P CB 0.759 32.436 31.700 -0.038 0.000 0.898 4706 S N 0.124 115.805 115.700 -0.031 0.000 2.543 4706 S HA 0.279 4.750 4.470 0.002 0.000 0.274 4706 S C 0.114 174.696 174.600 -0.030 0.000 1.149 4706 S CA -0.680 57.503 58.200 -0.028 0.000 0.866 4706 S CB 0.453 63.643 63.200 -0.017 0.000 1.111 4706 S HN 0.301 nan 8.310 nan 0.000 0.457 4707 L N 3.018 124.224 121.223 -0.030 0.000 2.558 4707 L HA 0.242 4.583 4.340 0.002 0.000 0.225 4707 L C 2.528 179.391 176.870 -0.011 0.000 1.128 4707 L CA 0.771 55.596 54.840 -0.025 0.000 0.868 4707 L CB -0.524 41.519 42.059 -0.027 0.000 1.006 4707 L HN 0.824 nan 8.230 nan 0.000 0.454 4708 A N 1.236 124.051 122.820 -0.009 0.000 1.940 4708 A HA -0.119 4.203 4.320 0.002 0.000 0.219 4708 A C -0.122 177.462 177.584 -0.001 0.000 1.176 4708 A CA 1.526 53.561 52.037 -0.003 0.000 0.631 4708 A CB -1.464 17.535 19.000 -0.002 0.000 0.814 4708 A HN 0.258 nan 8.150 nan 0.000 0.446 4709 P HA -0.147 nan 4.420 nan 0.000 0.217 4709 P C 1.688 178.988 177.300 0.000 0.000 1.150 4709 P CA 1.766 64.865 63.100 -0.001 0.000 0.832 4709 P CB -0.142 31.556 31.700 -0.003 0.000 0.787 4710 M N -2.925 116.675 119.600 -0.000 0.000 2.394 4710 M HA 0.079 4.560 4.480 0.002 0.000 0.266 4710 M C 1.692 177.995 176.300 0.005 0.000 1.098 4710 M CA 1.780 57.082 55.300 0.003 0.000 1.149 4710 M CB -1.673 30.929 32.600 0.003 0.000 1.369 4710 M HN -0.232 nan 8.290 nan 0.000 0.450 4711 L N 0.495 121.721 121.223 0.005 0.000 2.127 4711 L HA -0.160 4.182 4.340 0.002 0.000 0.211 4711 L C 2.282 179.157 176.870 0.009 0.000 1.089 4711 L CA 1.565 56.410 54.840 0.008 0.000 0.757 4711 L CB -0.876 41.188 42.059 0.008 0.000 0.899 4711 L HN 0.481 nan 8.230 nan 0.000 0.434 4712 E N 0.048 120.253 120.200 0.007 0.000 2.204 4712 E HA -0.185 4.166 4.350 0.002 0.000 0.194 4712 E C 1.841 178.446 176.600 0.008 0.000 0.989 4712 E CA 0.800 57.205 56.400 0.008 0.000 0.824 4712 E CB 0.112 29.816 29.700 0.007 0.000 0.756 4712 E HN 0.457 nan 8.360 nan 0.000 0.477 4713 K N -0.019 120.385 120.400 0.007 0.000 2.426 4713 K HA 0.049 4.371 4.320 0.002 0.000 0.193 4713 K C 1.599 178.204 176.600 0.008 0.000 1.028 4713 K CA 0.194 56.485 56.287 0.007 0.000 1.047 4713 K CB 0.759 33.263 32.500 0.006 0.000 0.821 4713 K HN -0.026 nan 8.250 nan 0.000 0.513 4714 V N 0.737 120.657 119.914 0.009 0.000 2.690 4714 V HA -0.101 4.020 4.120 0.002 0.000 0.240 4714 V C 2.037 178.138 176.094 0.012 0.000 1.078 4714 V CA 0.696 63.002 62.300 0.011 0.000 1.102 4714 V CB -0.099 31.732 31.823 0.012 0.000 0.800 4714 V HN 0.218 nan 8.190 nan 0.000 0.479 4715 M N 0.163 119.771 119.600 0.013 0.000 2.146 4715 M HA -0.172 4.309 4.480 0.002 0.000 0.256 4715 M C -0.124 176.185 176.300 0.016 0.000 1.075 4715 M CA 2.170 57.479 55.300 0.016 0.000 1.082 4715 M CB -2.507 30.103 32.600 0.018 0.000 1.355 4715 M HN 0.265 nan 8.290 nan 0.000 0.402 4716 P HA -0.047 nan 4.420 nan 0.000 0.223 4716 P C 1.161 178.465 177.300 0.007 0.000 1.144 4716 P CA 1.084 64.193 63.100 0.014 0.000 0.783 4716 P CB -0.056 31.651 31.700 0.012 0.000 0.771 4717 S N -1.559 114.144 115.700 0.006 0.000 2.524 4717 S HA 0.066 4.537 4.470 0.002 0.000 0.216 4717 S C 0.816 175.418 174.600 0.004 0.000 0.987 4717 S CA 0.083 58.284 58.200 0.001 0.000 0.909 4717 S CB -0.089 63.113 63.200 0.002 0.000 0.781 4717 S HN -0.063 nan 8.310 nan 0.000 0.521 4718 V N 3.392 123.313 119.914 0.011 0.000 2.465 4718 V HA 0.466 4.587 4.120 0.002 0.000 0.279 4718 V C 0.184 176.289 176.094 0.018 0.000 1.045 4718 V CA -0.566 61.743 62.300 0.014 0.000 0.938 4718 V CB 1.200 33.034 31.823 0.018 0.000 0.986 4718 V HN 0.242 nan 8.190 nan 0.000 0.467 4719 V N 2.617 122.541 119.914 0.017 0.000 3.103 4719 V HA 0.842 4.963 4.120 0.002 0.000 0.318 4719 V C -0.124 175.987 176.094 0.028 0.000 1.114 4719 V CA -0.491 61.825 62.300 0.026 0.000 1.020 4719 V CB 2.393 34.227 31.823 0.019 0.000 1.085 4719 V HN 0.733 nan 8.190 nan 0.000 0.446 4720 S N 1.544 117.267 115.700 0.038 0.000 2.638 4720 S HA 0.829 5.300 4.470 0.002 0.000 0.298 4720 S C -0.513 174.109 174.600 0.038 0.000 1.111 4720 S CA -0.559 57.662 58.200 0.036 0.000 1.027 4720 S CB 1.319 64.543 63.200 0.041 0.000 1.064 4720 S HN 0.721 nan 8.310 nan 0.000 0.525 4721 I N 2.017 122.606 120.570 0.032 0.000 2.534 4721 I HA 0.363 4.534 4.170 0.002 0.000 0.288 4721 I C -1.239 174.898 176.117 0.034 0.000 1.077 4721 I CA -0.617 60.702 61.300 0.032 0.000 1.051 4721 I CB 2.183 40.195 38.000 0.020 0.000 1.234 4721 I HN 0.473 nan 8.210 nan 0.000 0.425 4722 N N 4.515 123.236 118.700 0.035 0.000 2.442 4722 N HA 0.543 5.284 4.740 0.002 0.000 0.274 4722 N C -1.127 174.397 175.510 0.024 0.000 1.002 4722 N CA -0.276 52.792 53.050 0.031 0.000 0.910 4722 N CB 2.268 40.770 38.487 0.025 0.000 1.244 4722 N HN 0.169 nan 8.380 nan 0.000 0.492 4723 V N 1.362 121.293 119.914 0.029 0.000 2.630 4723 V HA 0.509 4.630 4.120 0.002 0.000 0.305 4723 V C -0.107 175.943 176.094 -0.074 0.000 1.046 4723 V CA -0.717 61.591 62.300 0.014 0.000 0.934 4723 V CB 1.828 33.700 31.823 0.083 0.000 1.003 4723 V HN 0.605 nan 8.190 nan 0.000 0.451 4724 E N 1.797 121.906 120.200 -0.150 0.000 2.256 4724 E HA 0.728 5.080 4.350 0.002 0.000 0.268 4724 E C -0.464 175.897 176.600 -0.398 0.000 0.877 4724 E CA -0.324 55.896 56.400 -0.301 0.000 0.757 4724 E CB 2.194 31.795 29.700 -0.165 0.000 1.183 4724 E HN 0.922 nan 8.360 nan 0.000 0.418 4725 G N 1.381 109.696 108.800 -0.809 0.000 2.495 4725 G HA2 0.467 4.428 3.960 0.002 0.000 0.294 4725 G HA3 0.467 4.428 3.960 0.002 0.000 0.294 4725 G C -1.199 173.420 174.900 -0.469 0.000 1.397 4725 G CA -0.158 44.630 45.100 -0.520 0.000 0.790 4725 G HN 0.640 nan 8.290 nan 0.000 0.486 4726 S N -1.835 113.942 115.700 0.127 0.000 2.740 4726 S HA 0.923 5.394 4.470 0.002 0.000 0.300 4726 S C -0.436 174.402 174.600 0.397 0.000 1.147 4726 S CA 0.102 58.474 58.200 0.287 0.000 0.871 4726 S CB 2.100 65.380 63.200 0.133 0.000 1.173 4726 S HN 1.828 nan 8.310 nan 0.000 0.510 4727 T N -0.705 114.008 114.554 0.265 0.000 2.718 4727 T HA 0.509 4.860 4.350 0.002 0.000 0.306 4727 T C -1.544 173.218 174.700 0.103 0.000 1.485 4727 T CA -0.415 61.779 62.100 0.155 0.000 0.997 4727 T CB 1.332 70.253 68.868 0.088 0.000 1.504 4727 T HN 0.723 nan 8.240 nan 0.000 0.497 4728 T N 1.952 116.546 114.554 0.065 0.000 2.743 4728 T HA 0.611 4.962 4.350 0.002 0.000 0.293 4728 T C -0.398 174.328 174.700 0.043 0.000 0.945 4728 T CA -0.288 61.843 62.100 0.053 0.000 1.030 4728 T CB 0.809 69.701 68.868 0.041 0.000 0.912 4728 T HN 0.589 nan 8.240 nan 0.000 0.483 4729 V N 4.710 124.654 119.914 0.049 0.000 2.919 4729 V HA 0.551 4.673 4.120 0.002 0.000 0.316 4729 V C -0.491 175.632 176.094 0.047 0.000 1.077 4729 V CA -1.075 61.254 62.300 0.047 0.000 0.977 4729 V CB 2.064 33.920 31.823 0.055 0.000 1.039 4729 V HN 0.796 nan 8.190 nan 0.000 0.441 4730 N N 1.840 120.571 118.700 0.052 0.000 2.513 4730 N HA 0.261 5.002 4.740 0.002 0.000 0.274 4730 N C -0.409 175.135 175.510 0.057 0.000 1.189 4730 N CA -0.124 52.959 53.050 0.055 0.000 0.975 4730 N CB 0.967 39.496 38.487 0.070 0.000 1.157 4730 N HN 0.724 nan 8.380 nan 0.000 0.465 4731 T N 2.992 117.577 114.554 0.052 0.000 2.752 4731 T HA 0.219 4.571 4.350 0.002 0.000 0.295 4731 T C -2.107 172.625 174.700 0.052 0.000 0.923 4731 T CA -0.770 61.358 62.100 0.046 0.000 1.112 4731 T CB 0.312 69.203 68.868 0.038 0.000 0.884 4731 T HN 0.252 nan 8.240 nan 0.000 0.525 4732 P HA 0.110 nan 4.420 nan 0.000 0.264 4732 P C -0.159 177.158 177.300 0.029 0.000 1.193 4732 P CA -0.195 62.925 63.100 0.034 0.000 0.763 4732 P CB 0.480 32.191 31.700 0.019 0.000 0.810 4733 R N 3.278 123.795 120.500 0.028 0.000 2.294 4733 R HA 0.536 4.878 4.340 0.002 0.000 0.319 4733 R C -0.168 176.130 176.300 -0.002 0.000 0.984 4733 R CA -0.671 55.444 56.100 0.024 0.000 0.861 4733 R CB 1.112 31.442 30.300 0.049 0.000 1.104 4733 R HN 0.474 nan 8.270 nan 0.000 0.451 4734 M N 2.120 121.718 119.600 -0.003 0.000 2.644 4734 M HA 0.425 4.906 4.480 0.002 0.000 0.316 4734 M C -1.768 174.524 176.300 -0.013 0.000 1.200 4734 M CA -1.728 53.564 55.300 -0.013 0.000 0.944 4734 M CB 1.020 33.616 32.600 -0.007 0.000 1.691 4734 M HN 0.394 nan 8.290 nan 0.000 0.471 4735 P HA 0.383 nan 4.420 nan 0.000 0.288 4735 P C -1.197 176.079 177.300 -0.040 0.000 1.291 4735 P CA -0.474 62.610 63.100 -0.026 0.000 0.766 4735 P CB 0.524 32.207 31.700 -0.028 0.000 1.242 4736 R N 1.367 121.844 120.500 -0.038 0.000 2.310 4736 R HA 0.375 4.716 4.340 0.002 0.000 0.324 4736 R C -0.535 175.732 176.300 -0.055 0.000 0.955 4736 R CA -0.521 55.547 56.100 -0.053 0.000 0.830 4736 R CB -0.109 30.173 30.300 -0.031 0.000 1.154 4736 R HN 0.359 nan 8.270 nan 0.000 0.458 4737 N N 3.757 122.394 118.700 -0.105 0.000 2.511 4737 N HA 0.051 4.792 4.740 0.002 0.000 0.249 4737 N C 0.369 175.777 175.510 -0.170 0.000 0.971 4737 N CA -0.276 52.669 53.050 -0.176 0.000 0.938 4737 N CB 0.601 38.967 38.487 -0.201 0.000 1.131 4737 N HN 0.439 nan 8.380 nan 0.000 0.505 4738 F N 2.615 122.507 119.950 -0.097 0.000 2.771 4738 F HA 0.084 4.613 4.527 0.003 0.000 0.299 4738 F C 1.018 176.768 175.800 -0.084 0.000 1.177 4738 F CA 0.151 58.100 58.000 -0.085 0.000 1.450 4738 F CB -0.087 38.880 39.000 -0.055 0.000 1.114 4738 F HN 0.458 nan 8.300 nan 0.000 0.587 4739 Q N 1.124 120.659 119.800 -0.441 0.000 2.211 4739 Q HA 0.219 4.560 4.340 0.002 0.000 0.301 4739 Q C -0.378 175.367 176.000 -0.424 0.000 0.884 4739 Q CA -0.330 55.267 55.803 -0.343 0.000 1.115 4739 Q CB 0.217 28.688 28.738 -0.445 0.000 1.217 4739 Q HN 0.683 nan 8.270 nan 0.000 0.451 4740 Q N 1.360 120.907 119.800 -0.422 0.000 3.147 4740 Q HA 0.219 4.560 4.340 0.002 0.000 0.224 4740 Q C -1.509 174.269 176.000 -0.370 0.000 0.901 4740 Q CA -0.763 54.726 55.803 -0.523 0.000 0.729 4740 Q CB 0.578 29.137 28.738 -0.299 0.000 1.363 4740 Q HN 0.399 nan 8.270 nan 0.000 0.467 4741 F N 3.670 123.674 119.950 0.091 0.000 2.556 4741 F HA 0.287 4.813 4.527 -0.001 0.000 0.344 4741 F C 0.309 176.282 175.800 0.289 0.000 1.255 4741 F CA -1.225 56.886 58.000 0.185 0.000 1.091 4741 F CB -1.086 37.996 39.000 0.137 0.000 1.325 4741 F HN 0.316 nan 8.300 nan 0.000 0.627 4742 F N 1.177 121.203 119.950 0.126 0.000 2.290 4742 F HA 0.620 5.148 4.527 0.001 0.000 0.282 4742 F C 0.953 176.815 175.800 0.103 0.000 1.251 4742 F CA -0.528 57.526 58.000 0.088 0.000 1.269 4742 F CB -0.409 38.617 39.000 0.043 0.000 1.455 4742 F HN 0.881 nan 8.300 nan 0.000 0.501 4743 G N -0.268 108.362 108.800 -0.284 0.000 3.277 4743 G HA2 0.347 4.308 3.960 0.002 0.000 0.684 4743 G HA3 0.347 4.308 3.960 0.002 0.000 0.684 4743 G C -0.647 174.173 174.900 -0.134 0.000 0.923 4743 G CA -0.489 44.367 45.100 -0.407 0.000 0.779 4743 G HN 1.675 nan 8.290 nan 0.000 0.508 4744 G N 1.752 110.571 108.800 0.031 0.000 2.741 4744 G HA2 0.931 4.892 3.960 0.002 0.000 0.293 4744 G HA3 0.931 4.892 3.960 0.002 0.000 0.293 4744 G C -0.643 174.278 174.900 0.035 0.000 1.457 4744 G CA 0.225 45.345 45.100 0.032 0.000 1.098 4744 G HN 1.477 nan 8.290 nan 0.000 0.536 4745 Q N 1.259 121.083 119.800 0.040 0.000 2.386 4745 Q HA 0.456 4.797 4.340 0.002 0.000 0.274 4745 Q C -1.287 174.744 176.000 0.052 0.000 1.011 4745 Q CA -1.238 54.590 55.803 0.042 0.000 0.867 4745 Q CB 1.811 30.573 28.738 0.039 0.000 1.409 4745 Q HN 0.310 nan 8.270 nan 0.000 0.395 4746 Q N 1.425 121.259 119.800 0.056 0.000 2.373 4746 Q HA 0.305 4.646 4.340 0.002 0.000 0.255 4746 Q C -0.967 175.079 176.000 0.076 0.000 0.980 4746 Q CA 0.239 56.085 55.803 0.072 0.000 0.882 4746 Q CB 1.214 29.995 28.738 0.072 0.000 1.249 4746 Q HN 0.567 nan 8.270 nan 0.000 0.438 4747 Q N 0.905 120.768 119.800 0.104 0.000 2.305 4747 Q HA 0.337 4.678 4.340 0.002 0.000 0.271 4747 Q C -1.215 174.879 176.000 0.157 0.000 1.046 4747 Q CA -0.349 55.520 55.803 0.111 0.000 0.798 4747 Q CB 1.712 30.517 28.738 0.112 0.000 1.286 4747 Q HN 0.268 nan 8.270 nan 0.000 0.435 4748 K N 2.349 122.807 120.400 0.097 0.000 2.237 4748 K HA 0.568 4.889 4.320 0.002 0.000 0.270 4748 K C -0.429 176.232 176.600 0.102 0.000 1.015 4748 K CA -0.196 56.110 56.287 0.032 0.000 0.949 4748 K CB 0.590 33.068 32.500 -0.037 0.000 0.976 4748 K HN 0.561 nan 8.250 nan 0.000 0.472 4749 F N -1.221 118.748 119.950 0.032 0.000 2.685 4749 F HA 0.617 5.146 4.527 0.002 0.000 0.315 4749 F C -1.148 174.671 175.800 0.032 0.000 1.126 4749 F CA -1.421 56.598 58.000 0.032 0.000 0.950 4749 F CB 1.260 40.281 39.000 0.035 0.000 1.360 4749 F HN 0.212 nan 8.300 nan 0.000 0.469 4750 M N 2.083 121.762 119.600 0.132 0.000 2.393 4750 M HA 0.772 5.253 4.480 0.002 0.000 0.299 4750 M C -1.031 175.420 176.300 0.251 0.000 1.103 4750 M CA -0.809 54.518 55.300 0.045 0.000 0.910 4750 M CB 2.365 34.982 32.600 0.028 0.000 1.659 4750 M HN 0.988 nan 8.290 nan 0.000 0.445 4751 A N 3.397 126.345 122.820 0.212 0.000 2.469 4751 A HA 1.019 5.340 4.320 0.002 0.000 0.299 4751 A C -1.654 176.000 177.584 0.117 0.000 1.098 4751 A CA -0.769 51.397 52.037 0.215 0.000 0.737 4751 A CB 1.948 21.121 19.000 0.289 0.000 1.312 4751 A HN 0.968 nan 8.150 nan 0.000 0.414 4752 L N 0.208 121.486 121.223 0.092 0.000 2.472 4752 L HA 0.947 5.288 4.340 0.002 0.000 0.260 4752 L C -0.438 176.455 176.870 0.040 0.000 0.963 4752 L CA -0.105 54.770 54.840 0.059 0.000 0.829 4752 L CB 1.898 43.992 42.059 0.057 0.000 1.348 4752 L HN 1.256 nan 8.230 nan 0.000 0.408 4753 G N 1.480 110.291 108.800 0.018 0.000 2.682 4753 G HA2 0.615 4.576 3.960 0.002 0.000 0.303 4753 G HA3 0.615 4.576 3.960 0.002 0.000 0.303 4753 G C -1.760 173.140 174.900 -0.000 0.000 1.341 4753 G CA -0.459 44.639 45.100 -0.003 0.000 0.784 4753 G HN 0.665 nan 8.290 nan 0.000 0.497 4754 S N -1.955 113.741 115.700 -0.006 0.000 2.704 4754 S HA 0.918 5.389 4.470 0.002 0.000 0.305 4754 S C 0.093 174.691 174.600 -0.003 0.000 1.107 4754 S CA 0.038 58.240 58.200 0.004 0.000 0.993 4754 S CB 1.730 64.936 63.200 0.010 0.000 1.110 4754 S HN 1.394 nan 8.310 nan 0.000 0.534 4755 G N -0.342 108.461 108.800 0.005 0.000 2.684 4755 G HA2 0.617 4.578 3.960 0.002 0.000 0.290 4755 G HA3 0.617 4.578 3.960 0.002 0.000 0.290 4755 G C -2.002 172.902 174.900 0.008 0.000 1.425 4755 G CA -0.447 44.655 45.100 0.003 0.000 0.822 4755 G HN 0.611 nan 8.290 nan 0.000 0.482 4756 V N 0.989 120.908 119.914 0.008 0.000 2.531 4756 V HA 0.382 4.503 4.120 0.002 0.000 0.301 4756 V C 0.078 176.177 176.094 0.009 0.000 1.034 4756 V CA -0.615 61.690 62.300 0.008 0.000 0.865 4756 V CB 1.648 33.478 31.823 0.011 0.000 0.995 4756 V HN 0.665 nan 8.190 nan 0.000 0.424 4757 I N 5.038 125.609 120.570 0.002 0.000 2.587 4757 I HA 0.076 4.247 4.170 0.002 0.000 0.284 4757 I C 0.683 176.808 176.117 0.014 0.000 1.134 4757 I CA 0.460 61.760 61.300 -0.000 0.000 1.410 4757 I CB 0.779 38.764 38.000 -0.025 0.000 1.392 4757 I HN 0.567 nan 8.210 nan 0.000 0.545 4758 I N 4.194 124.788 120.570 0.039 0.000 4.323 4758 I HA 0.152 4.323 4.170 0.002 0.000 0.328 4758 I C 0.054 176.211 176.117 0.066 0.000 1.310 4758 I CA 0.756 62.083 61.300 0.045 0.000 1.186 4758 I CB 0.253 38.276 38.000 0.037 0.000 1.130 4758 I HN 0.475 nan 8.210 nan 0.000 0.411 4759 D N -0.243 120.207 120.400 0.083 0.000 2.386 4759 D HA 0.406 5.047 4.640 0.002 0.000 0.247 4759 D C 0.806 177.085 176.300 -0.035 0.000 1.336 4759 D CA 0.130 54.165 54.000 0.058 0.000 0.976 4759 D CB 1.560 42.463 40.800 0.172 0.000 1.257 4759 D HN 0.035 nan 8.370 nan 0.000 0.570 4760 A N 3.407 126.201 122.820 -0.043 0.000 1.933 4760 A HA -0.155 4.166 4.320 0.002 0.000 0.218 4760 A C 1.613 179.133 177.584 -0.107 0.000 1.175 4760 A CA 1.543 53.536 52.037 -0.073 0.000 0.628 4760 A CB -0.096 18.874 19.000 -0.050 0.000 0.814 4760 A HN 0.530 nan 8.150 nan 0.000 0.444 4761 D N -0.635 119.702 120.400 -0.104 0.000 2.103 4761 D HA -0.043 4.598 4.640 0.002 0.000 0.199 4761 D C 1.841 178.021 176.300 -0.199 0.000 0.978 4761 D CA 0.969 54.895 54.000 -0.122 0.000 0.829 4761 D CB 0.026 40.771 40.800 -0.091 0.000 0.981 4761 D HN 0.136 nan 8.370 nan 0.000 0.464 4762 K N -0.269 119.943 120.400 -0.313 0.000 2.459 4762 K HA 0.141 4.462 4.320 0.002 0.000 0.193 4762 K C 0.884 177.135 176.600 -0.581 0.000 1.030 4762 K CA 0.596 56.541 56.287 -0.571 0.000 1.026 4762 K CB 0.380 32.217 32.500 -1.105 0.000 0.809 4762 K HN 0.217 nan 8.250 nan 0.000 0.504 4763 G N 1.784 110.371 108.800 -0.356 0.000 2.272 4763 G HA2 -0.290 3.671 3.960 0.002 0.000 0.280 4763 G HA3 -0.290 3.671 3.960 0.002 0.000 0.280 4763 G C -0.412 174.404 174.900 -0.139 0.000 1.067 4763 G CA -0.036 44.917 45.100 -0.246 0.000 0.902 4763 G HN 0.394 nan 8.290 nan 0.000 0.500 4764 Y N -0.822 119.439 120.300 -0.064 0.000 2.404 4764 Y HA 0.439 4.990 4.550 0.002 0.000 0.344 4764 Y C 0.675 176.546 175.900 -0.048 0.000 0.995 4764 Y CA -1.144 56.926 58.100 -0.049 0.000 1.201 4764 Y CB 1.454 39.890 38.460 -0.041 0.000 1.151 4764 Y HN 0.065 nan 8.280 nan 0.000 0.517 4765 V N 5.798 125.793 119.914 0.134 0.000 2.448 4765 V HA 0.216 4.338 4.120 0.002 0.000 0.295 4765 V C -0.383 175.728 176.094 0.028 0.000 1.025 4765 V CA -0.886 61.445 62.300 0.052 0.000 0.859 4765 V CB 1.786 33.623 31.823 0.023 0.000 0.988 4765 V HN 0.498 nan 8.190 nan 0.000 0.431 4766 V N 5.327 125.248 119.914 0.012 0.000 2.607 4766 V HA 0.786 4.907 4.120 0.002 0.000 0.289 4766 V C 0.200 176.291 176.094 -0.005 0.000 1.053 4766 V CA 0.777 63.074 62.300 -0.005 0.000 0.996 4766 V CB 1.756 33.573 31.823 -0.010 0.000 0.995 4766 V HN 1.105 nan 8.190 nan 0.000 0.476 4767 T N 4.007 118.553 114.554 -0.013 0.000 2.665 4767 T HA 0.413 4.764 4.350 0.002 0.000 0.303 4767 T C -0.983 173.693 174.700 -0.040 0.000 1.334 4767 T CA -0.721 61.364 62.100 -0.025 0.000 1.011 4767 T CB 1.247 70.097 68.868 -0.031 0.000 1.573 4767 T HN 0.745 nan 8.240 nan 0.000 0.492 4768 N N 2.387 121.029 118.700 -0.095 0.000 2.518 4768 N HA 0.269 5.010 4.740 0.002 0.000 0.283 4768 N C 1.134 176.557 175.510 -0.145 0.000 1.119 4768 N CA -0.571 52.404 53.050 -0.126 0.000 0.983 4768 N CB 0.649 38.946 38.487 -0.316 0.000 1.139 4768 N HN 0.616 nan 8.380 nan 0.000 0.465 4769 N N 1.868 120.550 118.700 -0.030 0.000 2.381 4769 N HA -0.203 4.539 4.740 0.002 0.000 0.182 4769 N C 0.908 176.425 175.510 0.013 0.000 1.025 4769 N CA 0.870 53.920 53.050 0.000 0.000 0.888 4769 N CB -0.014 38.497 38.487 0.041 0.000 0.965 4769 N HN 0.724 nan 8.380 nan 0.000 0.438 4770 H N -0.776 118.307 119.070 0.021 0.000 2.555 4770 H HA 0.064 4.622 4.556 0.002 0.000 0.269 4770 H C 1.522 176.862 175.328 0.020 0.000 0.988 4770 H CA 0.415 56.468 56.048 0.008 0.000 1.178 4770 H CB 0.084 29.845 29.762 -0.002 0.000 1.373 4770 H HN 0.069 nan 8.280 nan 0.000 0.588 4771 V N 1.372 121.133 119.914 -0.254 0.000 2.521 4771 V HA -0.128 3.993 4.120 0.002 0.000 0.239 4771 V C 2.877 178.985 176.094 0.024 0.000 1.053 4771 V CA 1.020 63.249 62.300 -0.117 0.000 1.073 4771 V CB 0.006 31.720 31.823 -0.182 0.000 0.746 4771 V HN 0.453 nan 8.190 nan 0.000 0.476 4772 V N -1.811 118.106 119.914 0.006 0.000 3.306 4772 V HA 0.111 4.232 4.120 0.002 0.000 0.264 4772 V C 0.897 177.046 176.094 0.092 0.000 1.149 4772 V CA 0.404 62.739 62.300 0.058 0.000 1.143 4772 V CB -0.536 31.305 31.823 0.031 0.000 0.767 4772 V HN 0.458 nan 8.190 nan 0.000 0.476 4773 D N 2.219 122.663 120.400 0.073 0.000 2.533 4773 D HA -0.044 4.597 4.640 0.002 0.000 0.236 4773 D C 0.872 177.251 176.300 0.132 0.000 1.137 4773 D CA 1.171 55.215 54.000 0.072 0.000 0.867 4773 D CB -0.054 40.769 40.800 0.038 0.000 1.170 4773 D HN 0.491 nan 8.370 nan 0.000 0.474 4774 N N 0.509 119.287 118.700 0.130 0.000 2.800 4774 N HA -0.201 4.540 4.740 0.002 0.000 0.250 4774 N C -0.542 175.149 175.510 0.301 0.000 1.078 4774 N CA 0.956 54.129 53.050 0.205 0.000 0.804 4774 N CB -1.357 37.254 38.487 0.207 0.000 1.135 4774 N HN 0.528 nan 8.380 nan 0.000 0.565 4775 A N -0.242 122.709 122.820 0.219 0.000 2.407 4775 A HA 0.448 4.769 4.320 0.002 0.000 0.248 4775 A C 1.322 178.971 177.584 0.109 0.000 1.082 4775 A CA 0.894 53.023 52.037 0.153 0.000 0.785 4775 A CB 0.452 19.518 19.000 0.110 0.000 1.020 4775 A HN 0.229 nan 8.150 nan 0.000 0.489 4776 T N 0.365 114.957 114.554 0.063 0.000 3.056 4776 T HA 0.235 4.586 4.350 0.002 0.000 0.243 4776 T C 0.026 174.770 174.700 0.073 0.000 0.995 4776 T CA 0.620 62.780 62.100 0.100 0.000 1.091 4776 T CB 0.270 69.176 68.868 0.063 0.000 0.990 4776 T HN 0.378 nan 8.240 nan 0.000 0.464 4777 V N 2.831 122.754 119.914 0.016 0.000 2.525 4777 V HA 0.610 4.731 4.120 0.002 0.000 0.299 4777 V C -1.372 174.730 176.094 0.012 0.000 1.034 4777 V CA -1.204 61.104 62.300 0.014 0.000 0.863 4777 V CB 1.794 33.608 31.823 -0.014 0.000 0.999 4777 V HN 0.430 nan 8.190 nan 0.000 0.423 4778 I N 4.155 124.745 120.570 0.034 0.000 2.410 4778 I HA 0.623 4.794 4.170 0.002 0.000 0.286 4778 I C -0.481 175.662 176.117 0.044 0.000 1.009 4778 I CA -0.087 61.235 61.300 0.037 0.000 1.111 4778 I CB 1.169 39.197 38.000 0.046 0.000 1.262 4778 I HN 0.479 nan 8.210 nan 0.000 0.443 4779 K N 5.300 125.724 120.400 0.040 0.000 2.123 4779 K HA 0.795 5.116 4.320 0.002 0.000 0.259 4779 K C -1.289 175.351 176.600 0.067 0.000 0.960 4779 K CA -0.938 55.382 56.287 0.055 0.000 0.872 4779 K CB 2.356 34.880 32.500 0.039 0.000 1.079 4779 K HN 0.493 nan 8.250 nan 0.000 0.440 4780 V N 2.374 122.349 119.914 0.101 0.000 2.656 4780 V HA 0.278 4.399 4.120 0.002 0.000 0.307 4780 V C -0.891 175.297 176.094 0.156 0.000 1.051 4780 V CA -0.797 61.568 62.300 0.109 0.000 0.893 4780 V CB 1.727 33.607 31.823 0.095 0.000 0.999 4780 V HN 0.721 nan 8.190 nan 0.000 0.426 4781 Q N 3.832 123.704 119.800 0.119 0.000 2.327 4781 Q HA 0.608 4.949 4.340 0.002 0.000 0.270 4781 Q C -1.024 175.047 176.000 0.119 0.000 1.022 4781 Q CA -0.580 55.300 55.803 0.129 0.000 0.773 4781 Q CB 1.642 30.426 28.738 0.077 0.000 1.251 4781 Q HN 0.719 nan 8.270 nan 0.000 0.457 4782 L N 1.423 122.745 121.223 0.165 0.000 2.473 4782 L HA 0.046 4.387 4.340 0.002 0.000 0.265 4782 L C 1.603 178.520 176.870 0.079 0.000 1.243 4782 L CA 0.345 55.255 54.840 0.116 0.000 0.822 4782 L CB 0.369 42.527 42.059 0.165 0.000 1.101 4782 L HN 0.851 nan 8.230 nan 0.000 0.507 4783 S N -0.962 114.772 115.700 0.057 0.000 2.522 4783 S HA -0.120 4.351 4.470 0.002 0.000 0.227 4783 S C 1.059 175.685 174.600 0.044 0.000 0.986 4783 S CA 0.699 58.925 58.200 0.044 0.000 0.929 4783 S CB -0.325 62.895 63.200 0.034 0.000 0.769 4783 S HN 0.835 nan 8.310 nan 0.000 0.529 4784 D N -0.012 120.420 120.400 0.053 0.000 2.339 4784 D HA 0.254 4.895 4.640 0.002 0.000 0.217 4784 D C 1.454 177.780 176.300 0.044 0.000 1.050 4784 D CA 0.685 54.712 54.000 0.045 0.000 0.856 4784 D CB -0.477 40.352 40.800 0.049 0.000 0.922 4784 D HN 0.583 nan 8.370 nan 0.000 0.518 4785 G N 0.172 109.003 108.800 0.053 0.000 2.195 4785 G HA2 -0.290 3.672 3.960 0.002 0.000 0.224 4785 G HA3 -0.290 3.672 3.960 0.002 0.000 0.224 4785 G C 0.260 175.178 174.900 0.030 0.000 0.990 4785 G CA -0.218 44.905 45.100 0.038 0.000 0.639 4785 G HN 0.429 nan 8.290 nan 0.000 0.514 4786 R N 0.890 121.426 120.500 0.059 0.000 2.543 4786 R HA 0.525 4.866 4.340 0.002 0.000 0.277 4786 R C 0.364 176.661 176.300 -0.004 0.000 1.074 4786 R CA 0.335 56.432 56.100 -0.005 0.000 1.076 4786 R CB 0.526 30.884 30.300 0.096 0.000 0.993 4786 R HN 0.241 nan 8.270 nan 0.000 0.459 4787 K N 2.452 122.713 120.400 -0.232 0.000 2.164 4787 K HA 0.444 4.766 4.320 0.002 0.000 0.258 4787 K C -0.943 175.422 176.600 -0.393 0.000 0.951 4787 K CA -0.434 55.771 56.287 -0.136 0.000 0.844 4787 K CB 1.272 33.717 32.500 -0.093 0.000 1.099 4787 K HN 0.247 nan 8.250 nan 0.000 0.435 4788 F N -0.160 119.791 119.950 0.003 0.000 2.675 4788 F HA 0.333 4.861 4.527 0.002 0.000 0.324 4788 F C -0.074 175.729 175.800 0.005 0.000 1.106 4788 F CA -0.950 57.051 58.000 0.002 0.000 0.970 4788 F CB 1.566 40.567 39.000 0.002 0.000 1.385 4788 F HN 0.342 nan 8.300 nan 0.000 0.489 4789 D N 0.260 120.798 120.400 0.229 0.000 2.272 4789 D HA 0.737 5.378 4.640 0.002 0.000 0.247 4789 D C -0.927 175.444 176.300 0.118 0.000 0.990 4789 D CA -0.175 53.901 54.000 0.127 0.000 0.931 4789 D CB 2.065 42.917 40.800 0.086 0.000 1.195 4789 D HN 0.669 nan 8.370 nan 0.000 0.477 4790 A N 0.912 123.782 122.820 0.083 0.000 2.515 4790 A HA 0.700 5.021 4.320 0.002 0.000 0.296 4790 A C -0.980 176.642 177.584 0.063 0.000 1.094 4790 A CA -0.751 51.327 52.037 0.067 0.000 0.718 4790 A CB 1.884 20.918 19.000 0.057 0.000 1.307 4790 A HN 0.364 nan 8.150 nan 0.000 0.408 4791 K N 1.268 121.705 120.400 0.062 0.000 2.426 4791 K HA 0.477 4.798 4.320 0.002 0.000 0.251 4791 K C -0.977 175.659 176.600 0.060 0.000 0.941 4791 K CA -1.010 55.315 56.287 0.063 0.000 0.808 4791 K CB 1.708 34.247 32.500 0.064 0.000 1.265 4791 K HN 0.661 nan 8.250 nan 0.000 0.432 4792 M N 2.243 121.873 119.600 0.051 0.000 2.252 4792 M HA -0.022 4.459 4.480 0.002 0.000 0.348 4792 M C 1.008 177.331 176.300 0.037 0.000 1.334 4792 M CA 0.414 55.737 55.300 0.039 0.000 1.071 4792 M CB 0.801 33.420 32.600 0.031 0.000 1.763 4792 M HN 0.666 nan 8.290 nan 0.000 0.452 4793 V N 2.722 122.651 119.914 0.026 0.000 3.539 4793 V HA 0.567 4.688 4.120 0.002 0.000 0.262 4793 V C 0.365 176.450 176.094 -0.015 0.000 1.381 4793 V CA 1.181 63.490 62.300 0.015 0.000 1.060 4793 V CB 1.068 32.902 31.823 0.019 0.000 0.842 4793 V HN 0.888 nan 8.190 nan 0.000 0.445 4794 G N 0.629 109.417 108.800 -0.020 0.000 2.579 4794 G HA2 0.579 4.541 3.960 0.002 0.000 0.292 4794 G HA3 0.579 4.541 3.960 0.002 0.000 0.292 4794 G C -1.579 173.312 174.900 -0.015 0.000 1.484 4794 G CA -0.294 44.793 45.100 -0.022 0.000 0.813 4794 G HN 0.656 nan 8.290 nan 0.000 0.515 4795 K N -0.364 120.031 120.400 -0.007 0.000 2.587 4795 K HA 0.683 5.004 4.320 0.002 0.000 0.276 4795 K C -2.391 174.212 176.600 0.004 0.000 0.956 4795 K CA -0.973 55.314 56.287 -0.000 0.000 0.857 4795 K CB 2.688 35.193 32.500 0.008 0.000 1.431 4795 K HN 0.490 nan 8.250 nan 0.000 0.420 4796 D N 2.289 122.694 120.400 0.009 0.000 2.337 4796 D HA 0.322 4.964 4.640 0.002 0.000 0.238 4796 D C -2.184 174.130 176.300 0.024 0.000 1.331 4796 D CA -1.808 52.199 54.000 0.011 0.000 0.967 4796 D CB 1.993 42.794 40.800 0.002 0.000 1.382 4796 D HN 0.275 nan 8.370 nan 0.000 0.549 4797 P HA -0.194 nan 4.420 nan 0.000 0.217 4797 P C 1.510 178.842 177.300 0.052 0.000 1.148 4797 P CA 0.716 63.841 63.100 0.042 0.000 0.834 4797 P CB 0.280 32.000 31.700 0.033 0.000 0.783 4798 R N 0.021 120.546 120.500 0.041 0.000 2.088 4798 R HA -0.101 4.240 4.340 0.002 0.000 0.232 4798 R C 2.383 178.729 176.300 0.077 0.000 1.136 4798 R CA 2.362 58.493 56.100 0.051 0.000 0.926 4798 R CB -1.560 28.755 30.300 0.025 0.000 0.837 4798 R HN 0.315 nan 8.270 nan 0.000 0.429 4799 S N 0.285 116.011 115.700 0.044 0.000 2.522 4799 S HA -0.107 4.364 4.470 0.002 0.000 0.227 4799 S C 0.421 175.080 174.600 0.098 0.000 0.986 4799 S CA 0.930 59.151 58.200 0.034 0.000 0.929 4799 S CB -0.050 63.134 63.200 -0.027 0.000 0.769 4799 S HN 0.416 nan 8.310 nan 0.000 0.529 4800 D N -0.035 120.424 120.400 0.099 0.000 2.800 4800 D HA -0.150 4.491 4.640 0.002 0.000 0.232 4800 D C -0.763 175.595 176.300 0.097 0.000 1.137 4800 D CA 0.603 54.678 54.000 0.126 0.000 0.718 4800 D CB -1.692 39.223 40.800 0.192 0.000 1.084 4800 D HN 0.525 nan 8.370 nan 0.000 0.432 4801 I N 0.094 120.694 120.570 0.050 0.000 2.474 4801 I HA 0.737 4.909 4.170 0.002 0.000 0.294 4801 I C 0.538 176.657 176.117 0.004 0.000 1.005 4801 I CA -0.680 60.633 61.300 0.022 0.000 1.113 4801 I CB 1.512 39.516 38.000 0.006 0.000 1.289 4801 I HN 0.215 nan 8.210 nan 0.000 0.436 4802 A N 6.901 129.715 122.820 -0.009 0.000 2.498 4802 A HA 0.797 5.119 4.320 0.002 0.000 0.298 4802 A C -1.547 176.022 177.584 -0.025 0.000 1.075 4802 A CA -0.568 51.460 52.037 -0.015 0.000 0.714 4802 A CB 2.280 21.273 19.000 -0.011 0.000 1.299 4802 A HN 0.668 nan 8.150 nan 0.000 0.407 4803 L N 2.529 123.731 121.223 -0.034 0.000 2.346 4803 L HA 0.761 5.102 4.340 0.002 0.000 0.276 4803 L C -0.788 176.075 176.870 -0.012 0.000 1.006 4803 L CA -0.789 54.022 54.840 -0.048 0.000 0.817 4803 L CB 1.502 43.487 42.059 -0.123 0.000 1.272 4803 L HN 0.850 nan 8.230 nan 0.000 0.421 4804 I N 0.500 121.086 120.570 0.025 0.000 3.174 4804 I HA 0.548 4.719 4.170 0.002 0.000 0.313 4804 I C -1.380 174.818 176.117 0.137 0.000 1.155 4804 I CA -0.828 60.509 61.300 0.063 0.000 0.977 4804 I CB 2.442 40.469 38.000 0.045 0.000 1.248 4804 I HN 0.575 nan 8.210 nan 0.000 0.453 4805 Q N 2.497 122.373 119.800 0.126 0.000 2.292 4805 Q HA 0.552 4.893 4.340 0.002 0.000 0.270 4805 Q C -1.342 174.678 176.000 0.032 0.000 1.024 4805 Q CA -0.807 55.069 55.803 0.121 0.000 0.768 4805 Q CB 2.534 31.362 28.738 0.150 0.000 1.250 4805 Q HN 0.662 nan 8.270 nan 0.000 0.447 4806 I N 3.616 124.166 120.570 -0.034 0.000 2.598 4806 I HA -0.052 4.120 4.170 0.002 0.000 0.284 4806 I C 0.257 176.354 176.117 -0.034 0.000 1.140 4806 I CA 0.074 61.333 61.300 -0.068 0.000 1.420 4806 I CB 0.547 38.397 38.000 -0.251 0.000 1.387 4806 I HN 0.366 nan 8.210 nan 0.000 0.553 4807 Q N 6.652 126.480 119.800 0.047 0.000 2.295 4807 Q HA 0.142 4.484 4.340 0.002 0.000 0.259 4807 Q C -0.195 175.874 176.000 0.114 0.000 0.976 4807 Q CA 0.055 55.896 55.803 0.065 0.000 0.923 4807 Q CB 0.616 29.403 28.738 0.081 0.000 1.185 4807 Q HN 0.552 nan 8.270 nan 0.000 0.410 4808 N N 1.101 119.840 118.700 0.066 0.000 2.806 4808 N HA -0.103 4.638 4.740 0.002 0.000 0.248 4808 N C -2.472 173.123 175.510 0.141 0.000 1.081 4808 N CA 0.187 53.300 53.050 0.104 0.000 0.680 4808 N CB -1.180 37.394 38.487 0.145 0.000 0.941 4808 N HN 0.442 nan 8.380 nan 0.000 0.554 4809 P HA 0.247 nan 4.420 nan 0.000 0.272 4809 P C -0.162 177.135 177.300 -0.006 0.000 1.223 4809 P CA 0.307 63.308 63.100 -0.165 0.000 0.784 4809 P CB 1.030 32.592 31.700 -0.229 0.000 0.923 4810 K N 1.831 122.248 120.400 0.029 0.000 2.535 4810 K HA 0.233 4.554 4.320 0.002 0.000 0.251 4810 K C -0.669 175.964 176.600 0.055 0.000 0.942 4810 K CA -0.523 55.813 56.287 0.082 0.000 0.798 4810 K CB 0.573 33.173 32.500 0.167 0.000 1.267 4810 K HN 0.356 nan 8.250 nan 0.000 0.434 4811 N N 2.831 121.542 118.700 0.019 0.000 2.650 4811 N HA -0.225 4.516 4.740 0.002 0.000 0.272 4811 N C -1.187 174.319 175.510 -0.006 0.000 1.058 4811 N CA 0.767 53.824 53.050 0.012 0.000 0.765 4811 N CB -0.765 37.742 38.487 0.034 0.000 0.902 4811 N HN 0.344 nan 8.380 nan 0.000 0.551 4812 L N 0.521 121.717 121.223 -0.045 0.000 2.332 4812 L HA 0.548 4.889 4.340 0.002 0.000 0.269 4812 L C 0.785 177.629 176.870 -0.042 0.000 1.016 4812 L CA -0.151 54.649 54.840 -0.066 0.000 0.809 4812 L CB 1.799 43.783 42.059 -0.125 0.000 1.280 4812 L HN 0.162 nan 8.230 nan 0.000 0.447 4813 T N 1.462 115.995 114.554 -0.035 0.000 2.824 4813 T HA 0.805 5.156 4.350 0.002 0.000 0.282 4813 T C -0.657 174.031 174.700 -0.020 0.000 0.993 4813 T CA -0.548 61.539 62.100 -0.021 0.000 0.967 4813 T CB 1.602 70.465 68.868 -0.009 0.000 0.960 4813 T HN 0.684 nan 8.240 nan 0.000 0.441 4814 A N 3.102 125.913 122.820 -0.015 0.000 2.325 4814 A HA 0.814 5.135 4.320 0.002 0.000 0.333 4814 A C -0.136 177.447 177.584 -0.001 0.000 1.155 4814 A CA -0.781 51.252 52.037 -0.007 0.000 0.814 4814 A CB 0.548 19.546 19.000 -0.004 0.000 1.206 4814 A HN 0.942 nan 8.150 nan 0.000 0.482 4815 I N 0.875 121.447 120.570 0.003 0.000 2.823 4815 I HA 0.235 4.406 4.170 0.002 0.000 0.290 4815 I C 0.589 176.710 176.117 0.006 0.000 1.091 4815 I CA -0.339 60.964 61.300 0.005 0.000 1.365 4815 I CB 0.724 38.729 38.000 0.008 0.000 1.427 4815 I HN 0.704 nan 8.210 nan 0.000 0.583 4816 K N 7.084 127.488 120.400 0.006 0.000 2.172 4816 K HA 0.365 4.686 4.320 0.002 0.000 0.276 4816 K C -1.034 175.569 176.600 0.006 0.000 1.013 4816 K CA -0.563 55.727 56.287 0.005 0.000 0.913 4816 K CB 1.036 33.539 32.500 0.005 0.000 1.055 4816 K HN 0.622 nan 8.250 nan 0.000 0.461 4817 M N 3.336 122.938 119.600 0.004 0.000 2.188 4817 M HA 0.264 4.746 4.480 0.002 0.000 0.357 4817 M C -0.142 176.160 176.300 0.002 0.000 1.204 4817 M CA -0.439 54.863 55.300 0.003 0.000 1.095 4817 M CB 1.711 34.311 32.600 -0.000 0.000 1.604 4817 M HN 0.776 nan 8.290 nan 0.000 0.464 4818 A N 1.835 124.656 122.820 0.003 0.000 2.242 4818 A HA 0.346 4.667 4.320 0.002 0.000 0.304 4818 A C -0.574 177.009 177.584 -0.001 0.000 1.100 4818 A CA -0.578 51.460 52.037 0.003 0.000 0.860 4818 A CB 0.502 19.506 19.000 0.006 0.000 1.168 4818 A HN 0.713 nan 8.150 nan 0.000 0.503 4819 D N 0.243 120.642 120.400 -0.002 0.000 2.393 4819 D HA 0.294 4.935 4.640 0.002 0.000 0.232 4819 D C 1.033 177.329 176.300 -0.007 0.000 1.192 4819 D CA 0.299 54.296 54.000 -0.005 0.000 0.882 4819 D CB 0.386 41.183 40.800 -0.005 0.000 1.038 4819 D HN 0.272 nan 8.370 nan 0.000 0.499 4820 S N 2.750 118.444 115.700 -0.009 0.000 2.392 4820 S HA -0.207 4.264 4.470 0.002 0.000 0.232 4820 S C 1.200 175.792 174.600 -0.013 0.000 1.041 4820 S CA 1.127 59.320 58.200 -0.011 0.000 1.026 4820 S CB -0.051 63.139 63.200 -0.017 0.000 0.845 4820 S HN 0.601 nan 8.310 nan 0.000 0.465 4821 D N 1.346 121.739 120.400 -0.013 0.000 2.311 4821 D HA -0.014 4.627 4.640 0.002 0.000 0.212 4821 D C 1.526 177.819 176.300 -0.012 0.000 0.972 4821 D CA 0.949 54.941 54.000 -0.013 0.000 0.887 4821 D CB -0.210 40.583 40.800 -0.012 0.000 0.915 4821 D HN 0.477 nan 8.370 nan 0.000 0.497 4822 A N 0.073 122.887 122.820 -0.010 0.000 2.337 4822 A HA 0.176 4.497 4.320 0.002 0.000 0.227 4822 A C 0.915 178.491 177.584 -0.013 0.000 1.259 4822 A CA -0.240 51.791 52.037 -0.010 0.000 0.870 4822 A CB -0.151 18.845 19.000 -0.007 0.000 0.927 4822 A HN 0.111 nan 8.150 nan 0.000 0.497 4823 L N 0.637 121.852 121.223 -0.014 0.000 2.417 4823 L HA 0.343 4.684 4.340 0.002 0.000 0.268 4823 L C 0.461 177.316 176.870 -0.026 0.000 1.158 4823 L CA 0.028 54.856 54.840 -0.019 0.000 0.819 4823 L CB 0.630 42.678 42.059 -0.018 0.000 1.112 4823 L HN 0.343 nan 8.230 nan 0.000 0.458 4824 R N 1.360 121.838 120.500 -0.036 0.000 2.725 4824 R HA 0.280 4.621 4.340 0.002 0.000 0.277 4824 R C 0.632 176.895 176.300 -0.061 0.000 0.987 4824 R CA -0.848 55.225 56.100 -0.044 0.000 0.901 4824 R CB 2.067 32.340 30.300 -0.044 0.000 1.207 4824 R HN 0.314 nan 8.270 nan 0.000 0.463 4825 V N 1.217 121.094 119.914 -0.061 0.000 2.282 4825 V HA -0.230 3.891 4.120 0.002 0.000 0.249 4825 V C 1.963 177.993 176.094 -0.107 0.000 1.057 4825 V CA 2.594 64.850 62.300 -0.073 0.000 1.032 4825 V CB -0.484 31.304 31.823 -0.060 0.000 0.645 4825 V HN 1.085 nan 8.190 nan 0.000 0.447 4826 G N -0.684 108.041 108.800 -0.126 0.000 2.776 4826 G HA2 -0.075 3.886 3.960 0.002 0.000 0.209 4826 G HA3 -0.075 3.886 3.960 0.002 0.000 0.209 4826 G C 0.237 174.944 174.900 -0.322 0.000 1.145 4826 G CA -0.083 44.898 45.100 -0.199 0.000 0.791 4826 G HN 0.457 nan 8.290 nan 0.000 0.530 4827 D N -0.058 120.207 120.400 -0.224 0.000 2.443 4827 D HA 0.116 4.757 4.640 0.002 0.000 0.239 4827 D C -0.032 176.126 176.300 -0.236 0.000 1.136 4827 D CA 0.145 54.013 54.000 -0.219 0.000 0.879 4827 D CB 0.564 41.311 40.800 -0.089 0.000 1.195 4827 D HN 0.256 nan 8.370 nan 0.000 0.443 4828 Y N 0.485 120.783 120.300 -0.003 0.000 2.346 4828 Y HA 0.222 4.773 4.550 0.002 0.000 0.330 4828 Y C 1.303 177.202 175.900 -0.001 0.000 1.178 4828 Y CA 0.252 58.351 58.100 -0.001 0.000 1.331 4828 Y CB 1.073 39.533 38.460 0.001 0.000 1.253 4828 Y HN 0.078 nan 8.280 nan 0.000 0.529 4829 T N 2.847 117.522 114.554 0.202 0.000 2.900 4829 T HA 0.519 4.870 4.350 0.002 0.000 0.295 4829 T C -1.699 173.054 174.700 0.087 0.000 1.044 4829 T CA -0.663 61.501 62.100 0.106 0.000 0.995 4829 T CB 1.590 70.497 68.868 0.065 0.000 1.072 4829 T HN 0.395 nan 8.240 nan 0.000 0.473 4830 V N 2.514 122.463 119.914 0.059 0.000 2.623 4830 V HA 0.873 4.994 4.120 0.002 0.000 0.304 4830 V C -0.830 175.286 176.094 0.037 0.000 1.054 4830 V CA -0.507 61.819 62.300 0.044 0.000 0.882 4830 V CB 1.246 33.088 31.823 0.032 0.000 1.002 4830 V HN 1.108 nan 8.190 nan 0.000 0.424 4831 A N 7.417 130.259 122.820 0.036 0.000 2.325 4831 A HA 0.936 5.257 4.320 0.002 0.000 0.333 4831 A C -0.760 176.842 177.584 0.029 0.000 1.155 4831 A CA -0.661 51.396 52.037 0.034 0.000 0.814 4831 A CB 0.976 19.997 19.000 0.035 0.000 1.206 4831 A HN 0.879 nan 8.150 nan 0.000 0.482 4832 I N 1.442 122.029 120.570 0.027 0.000 2.499 4832 I HA 0.669 4.840 4.170 0.002 0.000 0.288 4832 I C 0.462 176.592 176.117 0.021 0.000 1.048 4832 I CA -0.276 61.039 61.300 0.024 0.000 1.062 4832 I CB 2.316 40.330 38.000 0.023 0.000 1.238 4832 I HN 0.852 nan 8.210 nan 0.000 0.426 4833 G N 3.638 112.447 108.800 0.016 0.000 2.619 4833 G HA2 0.255 4.216 3.960 0.002 0.000 0.305 4833 G HA3 0.255 4.216 3.960 0.002 0.000 0.305 4833 G C -1.806 173.094 174.900 0.000 0.000 1.330 4833 G CA -0.708 44.396 45.100 0.007 0.000 0.789 4833 G HN 0.629 nan 8.290 nan 0.000 0.487 4834 N N 0.598 119.290 118.700 -0.013 0.000 2.918 4834 N HA 0.393 5.134 4.740 0.002 0.000 0.270 4834 N C -1.544 173.920 175.510 -0.077 0.000 1.536 4834 N CA -1.675 51.369 53.050 -0.011 0.000 0.877 4834 N CB 1.610 40.105 38.487 0.013 0.000 1.190 4834 N HN 0.085 nan 8.380 nan 0.000 0.492 4835 P HA -0.186 nan 4.420 nan 0.000 0.216 4835 P C -0.183 176.658 177.300 -0.766 0.000 1.167 4835 P CA 1.699 64.466 63.100 -0.556 0.000 0.933 4835 P CB 0.098 31.412 31.700 -0.644 0.000 0.793 4836 F N -3.897 116.076 119.950 0.037 0.000 2.735 4836 F HA 0.493 5.021 4.527 0.002 0.000 0.308 4836 F C 1.647 177.469 175.800 0.035 0.000 1.112 4836 F CA 0.313 58.334 58.000 0.035 0.000 1.235 4836 F CB 0.258 39.275 39.000 0.028 0.000 1.027 4836 F HN 0.066 nan 8.300 nan 0.000 0.528 4837 G N 0.893 109.773 108.800 0.133 0.000 2.383 4837 G HA2 -0.347 3.614 3.960 0.002 0.000 0.229 4837 G HA3 -0.347 3.614 3.960 0.002 0.000 0.229 4837 G C 1.077 176.041 174.900 0.106 0.000 1.089 4837 G CA 0.280 45.444 45.100 0.106 0.000 0.640 4837 G HN 0.327 nan 8.290 nan 0.000 0.510 4838 L N 1.545 122.854 121.223 0.143 0.000 2.661 4838 L HA 0.364 4.705 4.340 0.002 0.000 0.236 4838 L C 1.662 178.585 176.870 0.089 0.000 1.176 4838 L CA 1.091 55.997 54.840 0.110 0.000 0.836 4838 L CB -1.281 40.850 42.059 0.120 0.000 0.960 4838 L HN 1.456 nan 8.230 nan 0.000 0.455 4839 G N -0.481 108.369 108.800 0.083 0.000 2.270 4839 G HA2 -0.057 3.905 3.960 0.002 0.000 0.268 4839 G HA3 -0.057 3.905 3.960 0.002 0.000 0.268 4839 G C -1.339 173.594 174.900 0.056 0.000 1.312 4839 G CA -0.856 44.282 45.100 0.063 0.000 1.050 4839 G HN -0.025 nan 8.290 nan 0.000 0.474 4840 E N 1.456 121.684 120.200 0.048 0.000 2.035 4840 E HA 0.507 4.858 4.350 0.002 0.000 0.271 4840 E C -0.381 176.245 176.600 0.043 0.000 0.953 4840 E CA -0.165 56.259 56.400 0.040 0.000 0.777 4840 E CB 1.085 30.805 29.700 0.034 0.000 1.104 4840 E HN 0.504 nan 8.360 nan 0.000 0.408 4841 T N 1.158 115.739 114.554 0.045 0.000 2.829 4841 T HA 0.389 4.740 4.350 0.002 0.000 0.282 4841 T C 0.156 174.879 174.700 0.038 0.000 0.990 4841 T CA -0.688 61.443 62.100 0.051 0.000 1.028 4841 T CB 1.630 70.539 68.868 0.068 0.000 0.951 4841 T HN 0.254 nan 8.240 nan 0.000 0.460 4842 V N 1.918 121.855 119.914 0.037 0.000 2.628 4842 V HA 0.890 5.011 4.120 0.002 0.000 0.306 4842 V C -0.464 175.650 176.094 0.034 0.000 1.045 4842 V CA -0.189 62.130 62.300 0.031 0.000 0.905 4842 V CB 1.983 33.821 31.823 0.025 0.000 0.997 4842 V HN 0.925 nan 8.190 nan 0.000 0.436 4843 T N 3.733 118.307 114.554 0.033 0.000 2.909 4843 T HA 0.713 5.064 4.350 0.002 0.000 0.299 4843 T C -0.460 174.260 174.700 0.033 0.000 1.073 4843 T CA 0.216 62.338 62.100 0.036 0.000 0.999 4843 T CB 1.634 70.527 68.868 0.041 0.000 1.098 4843 T HN 1.554 nan 8.240 nan 0.000 0.477 4844 S N 2.036 117.755 115.700 0.033 0.000 2.726 4844 S HA 1.033 5.504 4.470 0.002 0.000 0.308 4844 S C 0.272 174.906 174.600 0.057 0.000 1.115 4844 S CA 0.225 58.448 58.200 0.038 0.000 0.965 4844 S CB 1.700 64.909 63.200 0.015 0.000 1.145 4844 S HN 1.430 nan 8.310 nan 0.000 0.532 4845 G N 0.229 109.084 108.800 0.092 0.000 2.512 4845 G HA2 0.402 4.363 3.960 0.002 0.000 0.181 4845 G HA3 0.402 4.363 3.960 0.002 0.000 0.181 4845 G C -1.295 173.715 174.900 0.183 0.000 1.173 4845 G CA -0.190 44.981 45.100 0.119 0.000 0.988 4845 G HN 1.699 nan 8.290 nan 0.000 0.485 4846 I N -2.452 118.174 120.570 0.094 0.000 3.279 4846 I HA 0.785 4.956 4.170 0.002 0.000 0.315 4846 I C -0.762 175.344 176.117 -0.018 0.000 1.225 4846 I CA -1.424 59.892 61.300 0.027 0.000 0.947 4846 I CB 1.932 39.896 38.000 -0.060 0.000 1.293 4846 I HN 0.379 nan 8.210 nan 0.000 0.468 4847 V N 3.000 122.882 119.914 -0.054 0.000 2.397 4847 V HA 0.094 4.215 4.120 0.002 0.000 0.262 4847 V C 1.077 177.130 176.094 -0.067 0.000 1.047 4847 V CA 0.472 62.738 62.300 -0.056 0.000 1.003 4847 V CB 0.363 32.151 31.823 -0.059 0.000 1.037 4847 V HN 0.892 nan 8.190 nan 0.000 0.480 4848 S N 3.498 119.155 115.700 -0.072 0.000 2.406 4848 S HA 0.313 4.784 4.470 0.002 0.000 0.224 4848 S C 0.699 175.252 174.600 -0.078 0.000 1.030 4848 S CA 0.835 58.990 58.200 -0.076 0.000 0.958 4848 S CB 0.264 63.412 63.200 -0.086 0.000 0.811 4848 S HN 0.957 nan 8.310 nan 0.000 0.489 4849 A N 0.598 123.363 122.820 -0.092 0.000 2.513 4849 A HA 0.639 4.960 4.320 0.002 0.000 0.296 4849 A C -1.445 176.098 177.584 -0.069 0.000 1.052 4849 A CA -0.471 51.518 52.037 -0.079 0.000 0.714 4849 A CB 0.936 19.875 19.000 -0.102 0.000 1.279 4849 A HN 0.131 nan 8.150 nan 0.000 0.397 4850 L N 3.474 124.673 121.223 -0.041 0.000 2.956 4850 L HA 0.418 4.760 4.340 0.002 0.000 0.232 4850 L C 1.602 178.470 176.870 -0.003 0.000 1.291 4850 L CA 1.164 55.990 54.840 -0.024 0.000 1.122 4850 L CB -0.683 41.362 42.059 -0.023 0.000 1.461 4850 L HN 1.352 nan 8.230 nan 0.000 0.470 4851 G N 1.569 110.376 108.800 0.011 0.000 2.999 4851 G HA2 -0.479 3.482 3.960 0.002 0.000 0.335 4851 G HA3 -0.479 3.482 3.960 0.002 0.000 0.335 4851 G C 0.977 175.895 174.900 0.030 0.000 1.346 4851 G CA 1.084 46.212 45.100 0.046 0.000 1.351 4851 G HN 0.594 nan 8.290 nan 0.000 0.902 4852 R N -0.102 120.412 120.500 0.023 0.000 3.418 4852 R HA -0.124 4.217 4.340 0.002 0.000 0.274 4852 R C 0.625 176.935 176.300 0.018 0.000 1.108 4852 R CA 1.321 57.428 56.100 0.012 0.000 0.741 4852 R CB -1.986 28.317 30.300 0.004 0.000 1.223 4852 R HN 1.027 nan 8.270 nan 0.000 0.434 4853 E N -0.328 119.912 120.200 0.066 0.000 2.481 4853 E HA -0.139 4.212 4.350 0.002 0.000 0.263 4853 E C 0.132 176.741 176.600 0.014 0.000 0.992 4853 E CA 0.058 56.454 56.400 -0.007 0.000 0.938 4853 E CB 0.317 29.954 29.700 -0.106 0.000 0.933 4853 E HN 0.280 nan 8.360 nan 0.000 0.453 4854 N N 2.769 121.449 118.700 -0.033 0.000 3.063 4854 N HA -0.059 4.682 4.740 0.002 0.000 0.327 4854 N C -1.100 174.412 175.510 0.003 0.000 1.225 4854 N CA -0.022 53.025 53.050 -0.005 0.000 1.184 4854 N CB -1.238 37.234 38.487 -0.026 0.000 1.438 4854 N HN 0.349 nan 8.380 nan 0.000 0.555 4855 F N 0.722 120.691 119.950 0.032 0.000 2.572 4855 F HA 0.100 4.628 4.527 0.002 0.000 0.370 4855 F C 1.231 177.014 175.800 -0.028 0.000 1.103 4855 F CA -0.076 57.953 58.000 0.049 0.000 1.286 4855 F CB 0.497 39.588 39.000 0.152 0.000 1.105 4855 F HN 0.102 nan 8.300 nan 0.000 0.583 4856 I N 3.660 124.331 120.570 0.167 0.000 2.440 4856 I HA 0.185 4.356 4.170 0.002 0.000 0.294 4856 I C -0.249 175.807 176.117 -0.101 0.000 0.995 4856 I CA -0.516 60.797 61.300 0.022 0.000 1.306 4856 I CB 1.429 39.439 38.000 0.016 0.000 1.407 4856 I HN 0.513 nan 8.210 nan 0.000 0.501 4857 Q N 3.446 123.125 119.800 -0.202 0.000 2.316 4857 Q HA 0.491 4.832 4.340 0.002 0.000 0.264 4857 Q C -0.858 175.024 176.000 -0.196 0.000 0.987 4857 Q CA -0.350 55.228 55.803 -0.374 0.000 0.852 4857 Q CB 2.281 30.764 28.738 -0.425 0.000 1.287 4857 Q HN 0.658 nan 8.270 nan 0.000 0.448 4858 T N 0.514 114.971 114.554 -0.163 0.000 2.894 4858 T HA 0.179 4.530 4.350 0.002 0.000 0.309 4858 T C -0.630 174.047 174.700 -0.039 0.000 1.208 4858 T CA -0.680 61.377 62.100 -0.071 0.000 1.016 4858 T CB 0.945 69.796 68.868 -0.028 0.000 1.192 4858 T HN 0.709 nan 8.240 nan 0.000 0.491 4859 D N 1.805 122.197 120.400 -0.013 0.000 2.328 4859 D HA 0.229 4.870 4.640 0.002 0.000 0.226 4859 D C 0.799 177.115 176.300 0.027 0.000 1.066 4859 D CA -0.162 53.843 54.000 0.008 0.000 0.861 4859 D CB -0.102 40.706 40.800 0.013 0.000 0.912 4859 D HN 0.514 nan 8.370 nan 0.000 0.521 4860 A N 0.149 122.986 122.820 0.029 0.000 3.004 4860 A HA 0.653 4.974 4.320 0.002 0.000 0.286 4860 A C 0.534 178.141 177.584 0.038 0.000 1.632 4860 A CA -0.112 51.947 52.037 0.038 0.000 1.339 4860 A CB -0.522 18.503 19.000 0.043 0.000 1.136 4860 A HN 0.354 nan 8.150 nan 0.000 0.577 4861 A N 1.398 124.242 122.820 0.040 0.000 3.907 4861 A HA 0.946 5.267 4.320 0.002 0.000 0.166 4861 A C -0.775 176.831 177.584 0.036 0.000 0.948 4861 A CA -0.313 51.748 52.037 0.041 0.000 1.077 4861 A CB 0.422 19.453 19.000 0.051 0.000 1.553 4861 A HN 1.052 nan 8.150 nan 0.000 0.740 4862 I N -1.235 119.356 120.570 0.035 0.000 2.731 4862 I HA 0.250 4.421 4.170 0.002 0.000 0.286 4862 I C -0.964 175.192 176.117 0.065 0.000 1.421 4862 I CA -0.853 60.475 61.300 0.047 0.000 1.071 4862 I CB 0.972 38.967 38.000 -0.007 0.000 1.375 4862 I HN 0.415 nan 8.210 nan 0.000 0.425 4863 N N 5.802 124.566 118.700 0.107 0.000 2.429 4863 N HA 0.191 4.932 4.740 0.002 0.000 0.271 4863 N C 0.665 176.271 175.510 0.161 0.000 1.272 4863 N CA 0.625 53.742 53.050 0.110 0.000 0.921 4863 N CB 0.205 38.751 38.487 0.099 0.000 1.128 4863 N HN 0.671 nan 8.380 nan 0.000 0.481 4864 R N 0.099 120.665 120.500 0.109 0.000 3.840 4864 R HA -0.135 4.206 4.340 0.002 0.000 0.464 4864 R C 0.590 176.956 176.300 0.109 0.000 0.986 4864 R CA 1.110 57.285 56.100 0.125 0.000 1.305 4864 R CB -2.079 28.325 30.300 0.174 0.000 1.950 4864 R HN 0.604 nan 8.270 nan 0.000 0.526 4865 G N 0.391 109.179 108.800 -0.020 0.000 2.502 4865 G HA2 0.434 4.395 3.960 0.002 0.000 0.305 4865 G HA3 0.434 4.395 3.960 0.002 0.000 0.305 4865 G C -0.203 174.579 174.900 -0.197 0.000 1.190 4865 G CA -0.591 44.318 45.100 -0.318 0.000 0.933 4865 G HN 0.034 nan 8.290 nan 0.000 0.503 4866 N N 0.306 118.871 118.700 -0.224 0.000 2.497 4866 N HA 0.336 5.077 4.740 0.002 0.000 0.271 4866 N C 0.755 176.234 175.510 -0.052 0.000 1.142 4866 N CA 0.193 53.186 53.050 -0.096 0.000 0.965 4866 N CB 1.197 39.662 38.487 -0.037 0.000 1.077 4866 N HN 0.732 nan 8.380 nan 0.000 0.462 4867 S N 1.066 116.761 115.700 -0.009 0.000 2.973 4867 S HA 0.166 4.637 4.470 0.002 0.000 0.357 4867 S C 1.411 176.071 174.600 0.100 0.000 1.159 4867 S CA 0.127 58.355 58.200 0.046 0.000 1.423 4867 S CB -0.666 62.561 63.200 0.045 0.000 1.115 4867 S HN 0.598 nan 8.310 nan 0.000 0.563 4868 G N 2.407 111.233 108.800 0.044 0.000 2.355 4868 G HA2 0.429 4.390 3.960 0.002 0.000 0.175 4868 G HA3 0.429 4.390 3.960 0.002 0.000 0.175 4868 G C 1.050 175.983 174.900 0.055 0.000 1.624 4868 G CA 0.823 45.944 45.100 0.035 0.000 1.021 4868 G HN 1.180 nan 8.290 nan 0.000 0.465 4869 G N -0.913 107.911 108.800 0.041 0.000 2.509 4869 G HA2 0.508 4.469 3.960 0.002 0.000 0.168 4869 G HA3 0.508 4.469 3.960 0.002 0.000 0.168 4869 G C 0.391 175.316 174.900 0.042 0.000 1.415 4869 G CA 0.833 45.958 45.100 0.041 0.000 0.686 4869 G HN 1.119 nan 8.290 nan 0.000 0.677 4870 A N 0.486 123.325 122.820 0.032 0.000 2.363 4870 A HA 0.682 5.003 4.320 0.002 0.000 0.270 4870 A C -0.623 176.981 177.584 0.034 0.000 1.121 4870 A CA -0.111 51.944 52.037 0.031 0.000 0.800 4870 A CB 0.503 19.517 19.000 0.024 0.000 1.052 4870 A HN 0.452 nan 8.150 nan 0.000 0.493 4871 L N 4.047 125.291 121.223 0.035 0.000 2.349 4871 L HA 0.593 4.934 4.340 0.002 0.000 0.278 4871 L C -1.238 175.650 176.870 0.030 0.000 0.996 4871 L CA -0.445 54.416 54.840 0.036 0.000 0.825 4871 L CB 1.525 43.608 42.059 0.040 0.000 1.243 4871 L HN 0.516 nan 8.230 nan 0.000 0.412 4872 V N 4.251 124.183 119.914 0.031 0.000 2.823 4872 V HA 0.393 4.514 4.120 0.002 0.000 0.312 4872 V C -0.255 175.861 176.094 0.036 0.000 1.072 4872 V CA -0.798 61.519 62.300 0.029 0.000 0.937 4872 V CB 2.544 34.383 31.823 0.025 0.000 1.013 4872 V HN 0.945 nan 8.190 nan 0.000 0.430 4873 N N 3.384 122.105 118.700 0.035 0.000 2.418 4873 N HA 0.217 4.958 4.740 0.002 0.000 0.283 4873 N C 0.463 176.002 175.510 0.048 0.000 1.267 4873 N CA -0.555 52.523 53.050 0.047 0.000 0.975 4873 N CB 0.292 38.803 38.487 0.040 0.000 1.167 4873 N HN 0.319 nan 8.380 nan 0.000 0.581 4874 L N -0.722 120.538 121.223 0.063 0.000 2.549 4874 L HA 0.067 4.408 4.340 0.002 0.000 0.229 4874 L C 0.867 177.755 176.870 0.030 0.000 1.158 4874 L CA 1.098 55.967 54.840 0.048 0.000 0.842 4874 L CB -1.382 40.718 42.059 0.069 0.000 0.952 4874 L HN 0.559 nan 8.230 nan 0.000 0.452 4875 N N -0.588 118.129 118.700 0.029 0.000 2.236 4875 N HA 0.148 4.889 4.740 0.002 0.000 0.196 4875 N C 1.324 176.844 175.510 0.016 0.000 1.114 4875 N CA 0.791 53.853 53.050 0.020 0.000 0.859 4875 N CB 0.594 39.092 38.487 0.019 0.000 0.982 4875 N HN 0.252 nan 8.380 nan 0.000 0.493 4876 G N 0.710 109.521 108.800 0.018 0.000 2.143 4876 G HA2 -0.263 3.699 3.960 0.002 0.000 0.249 4876 G HA3 -0.263 3.699 3.960 0.002 0.000 0.249 4876 G C -0.246 174.663 174.900 0.015 0.000 0.981 4876 G CA -0.009 45.100 45.100 0.015 0.000 0.665 4876 G HN 0.421 nan 8.290 nan 0.000 0.528 4877 E N -0.541 119.669 120.200 0.016 0.000 2.231 4877 E HA 0.552 4.903 4.350 0.002 0.000 0.277 4877 E C 0.051 176.660 176.600 0.014 0.000 0.999 4877 E CA -1.081 55.327 56.400 0.013 0.000 0.827 4877 E CB 1.901 31.608 29.700 0.012 0.000 1.101 4877 E HN 0.184 nan 8.360 nan 0.000 0.393 4878 L N 4.302 125.532 121.223 0.012 0.000 2.418 4878 L HA 0.070 4.412 4.340 0.002 0.000 0.274 4878 L C 0.477 177.354 176.870 0.011 0.000 1.135 4878 L CA 0.661 55.508 54.840 0.013 0.000 0.870 4878 L CB 0.193 42.258 42.059 0.010 0.000 1.154 4878 L HN 0.672 nan 8.230 nan 0.000 0.462 4879 I N 1.452 122.030 120.570 0.014 0.000 4.187 4879 I HA 0.614 4.785 4.170 0.002 0.000 0.326 4879 I C 0.608 176.731 176.117 0.011 0.000 1.302 4879 I CA 0.226 61.532 61.300 0.011 0.000 1.196 4879 I CB 0.360 38.368 38.000 0.013 0.000 1.095 4879 I HN 0.625 nan 8.210 nan 0.000 0.411 4880 G N 1.457 110.268 108.800 0.019 0.000 2.519 4880 G HA2 0.532 4.494 3.960 0.002 0.000 0.292 4880 G HA3 0.532 4.494 3.960 0.002 0.000 0.292 4880 G C -2.143 172.779 174.900 0.037 0.000 1.507 4880 G CA -0.467 44.648 45.100 0.026 0.000 0.806 4880 G HN -0.023 nan 8.290 nan 0.000 0.523 4881 I N 1.039 121.637 120.570 0.046 0.000 2.362 4881 I HA 0.304 4.475 4.170 0.002 0.000 0.289 4881 I C 0.140 176.315 176.117 0.096 0.000 0.994 4881 I CA -1.031 60.303 61.300 0.057 0.000 1.158 4881 I CB 1.396 39.422 38.000 0.044 0.000 1.315 4881 I HN 0.448 nan 8.210 nan 0.000 0.451 4882 N N 3.343 122.103 118.700 0.099 0.000 2.492 4882 N HA 0.314 5.055 4.740 0.002 0.000 0.262 4882 N C -0.010 175.600 175.510 0.166 0.000 1.202 4882 N CA 0.228 53.358 53.050 0.134 0.000 0.926 4882 N CB 0.655 39.204 38.487 0.103 0.000 1.078 4882 N HN 0.628 nan 8.380 nan 0.000 0.454 4883 T N -0.152 114.528 114.554 0.210 0.000 2.858 4883 T HA 0.764 5.115 4.350 0.002 0.000 0.285 4883 T C -1.548 173.222 174.700 0.117 0.000 1.052 4883 T CA -0.799 61.432 62.100 0.218 0.000 1.009 4883 T CB 0.969 70.009 68.868 0.287 0.000 1.241 4883 T HN 0.426 nan 8.240 nan 0.000 0.542 4884 A N 2.145 124.979 122.820 0.023 0.000 2.285 4884 A HA 0.593 4.914 4.320 0.002 0.000 0.310 4884 A C 0.651 178.120 177.584 -0.191 0.000 1.266 4884 A CA -0.786 51.150 52.037 -0.169 0.000 0.832 4884 A CB -0.242 18.484 19.000 -0.456 0.000 1.163 4884 A HN 0.891 nan 8.150 nan 0.000 0.499 4885 I N 0.324 120.720 120.570 -0.290 0.000 3.862 4885 I HA 0.382 4.553 4.170 0.002 0.000 0.328 4885 I C -0.682 175.265 176.117 -0.284 0.000 1.474 4885 I CA 0.318 61.404 61.300 -0.356 0.000 1.215 4885 I CB -0.282 37.308 38.000 -0.683 0.000 1.183 4885 I HN 0.418 nan 8.210 nan 0.000 0.413 4886 L N 2.376 123.465 121.223 -0.222 0.000 2.861 4886 L HA 0.526 4.868 4.340 0.002 0.000 0.290 4886 L C 0.742 177.523 176.870 -0.148 0.000 1.346 4886 L CA -0.473 54.262 54.840 -0.175 0.000 0.779 4886 L CB 0.883 42.843 42.059 -0.164 0.000 1.143 4886 L HN 0.408 nan 8.230 nan 0.000 0.548 4887 A N 0.869 123.612 122.820 -0.128 0.000 2.561 4887 A HA 0.383 4.704 4.320 0.002 0.000 0.234 4887 A C -1.655 175.884 177.584 -0.075 0.000 1.055 4887 A CA -0.018 51.961 52.037 -0.097 0.000 0.756 4887 A CB -0.456 18.508 19.000 -0.061 0.000 0.986 4887 A HN 0.574 nan 8.150 nan 0.000 0.505 4888 P HA -0.099 nan 4.420 nan 0.000 0.014 4888 P C -0.250 177.008 177.300 -0.070 0.000 0.569 4888 P CA 1.415 64.479 63.100 -0.060 0.000 1.035 4888 P CB -0.417 31.255 31.700 -0.047 0.000 1.909 4889 D N -0.992 119.349 120.400 -0.098 0.000 3.084 4889 D HA 0.278 4.919 4.640 0.002 0.000 0.294 4889 D C 0.859 177.077 176.300 -0.137 0.000 1.165 4889 D CA 1.643 55.585 54.000 -0.097 0.000 1.008 4889 D CB 0.760 41.507 40.800 -0.087 0.000 1.266 4889 D HN 0.298 nan 8.370 nan 0.000 0.449 4890 G N -0.012 108.640 108.800 -0.246 0.000 2.767 4890 G HA2 0.377 4.338 3.960 0.002 0.000 0.686 4890 G HA3 0.377 4.338 3.960 0.002 0.000 0.686 4890 G C 0.239 175.041 174.900 -0.164 0.000 1.213 4890 G CA -0.315 44.593 45.100 -0.321 0.000 0.803 4890 G HN 0.948 nan 8.290 nan 0.000 0.603 4891 G N 1.397 110.112 108.800 -0.140 0.000 2.592 4891 G HA2 0.457 4.418 3.960 0.002 0.000 0.685 4891 G HA3 0.457 4.418 3.960 0.002 0.000 0.685 4891 G C -0.415 174.431 174.900 -0.091 0.000 1.278 4891 G CA 0.260 45.308 45.100 -0.087 0.000 0.822 4891 G HN 2.112 nan 8.290 nan 0.000 0.652 4892 N N 0.612 119.280 118.700 -0.054 0.000 2.485 4892 N HA 0.482 5.223 4.740 0.002 0.000 0.280 4892 N C 1.325 176.810 175.510 -0.042 0.000 1.205 4892 N CA -0.580 52.443 53.050 -0.046 0.000 0.959 4892 N CB 2.388 40.882 38.487 0.012 0.000 1.206 4892 N HN 0.739 nan 8.380 nan 0.000 0.545 4893 I N -1.840 118.701 120.570 -0.048 0.000 3.226 4893 I HA 0.115 4.286 4.170 0.002 0.000 0.277 4893 I C 0.796 176.928 176.117 0.024 0.000 1.243 4893 I CA 0.994 62.272 61.300 -0.036 0.000 1.459 4893 I CB -0.207 37.741 38.000 -0.085 0.000 1.093 4893 I HN 0.891 nan 8.210 nan 0.000 0.453 4894 G N 1.316 110.150 108.800 0.056 0.000 3.110 4894 G HA2 -0.024 3.937 3.960 0.002 0.000 0.205 4894 G HA3 -0.024 3.937 3.960 0.002 0.000 0.205 4894 G C -0.029 174.918 174.900 0.077 0.000 1.019 4894 G CA 0.054 45.189 45.100 0.059 0.000 0.826 4894 G HN 0.305 nan 8.290 nan 0.000 0.481 4895 I N 0.643 121.290 120.570 0.128 0.000 3.264 4895 I HA 0.722 4.893 4.170 0.002 0.000 0.315 4895 I C -0.010 176.219 176.117 0.187 0.000 1.154 4895 I CA -0.880 60.486 61.300 0.109 0.000 0.962 4895 I CB 2.131 40.163 38.000 0.054 0.000 1.265 4895 I HN 0.162 nan 8.210 nan 0.000 0.463 4896 G N 2.264 111.116 108.800 0.087 0.000 2.356 4896 G HA2 0.592 4.553 3.960 0.002 0.000 0.322 4896 G HA3 0.592 4.553 3.960 0.002 0.000 0.322 4896 G C -1.638 173.281 174.900 0.032 0.000 1.125 4896 G CA -0.202 44.983 45.100 0.143 0.000 0.885 4896 G HN 0.256 nan 8.290 nan 0.000 0.467 4897 F N 1.278 121.227 119.950 -0.002 0.000 2.402 4897 F HA 0.657 5.185 4.527 0.002 0.000 0.355 4897 F C 0.561 176.460 175.800 0.164 0.000 1.123 4897 F CA -0.905 57.113 58.000 0.030 0.000 1.021 4897 F CB 2.129 41.029 39.000 -0.165 0.000 1.160 4897 F HN 0.623 nan 8.300 nan 0.000 0.451 4898 A N 4.161 127.170 122.820 0.315 0.000 2.374 4898 A HA 0.808 5.129 4.320 0.002 0.000 0.317 4898 A C -0.684 177.050 177.584 0.250 0.000 1.094 4898 A CA -0.731 51.465 52.037 0.265 0.000 0.765 4898 A CB 0.991 20.070 19.000 0.132 0.000 1.268 4898 A HN 0.543 nan 8.150 nan 0.000 0.438 4899 I N 2.767 123.420 120.570 0.138 0.000 2.529 4899 I HA 0.238 4.410 4.170 0.002 0.000 0.284 4899 I C -2.007 174.096 176.117 -0.022 0.000 1.082 4899 I CA -1.840 59.435 61.300 -0.042 0.000 1.406 4899 I CB 0.672 38.634 38.000 -0.063 0.000 1.405 4899 I HN 0.406 nan 8.210 nan 0.000 0.548 4900 P HA 0.066 nan 4.420 nan 0.000 0.271 4900 P C 0.819 178.102 177.300 -0.028 0.000 1.218 4900 P CA -0.179 62.903 63.100 -0.031 0.000 0.780 4900 P CB 0.690 32.366 31.700 -0.040 0.000 0.901 4901 S N 2.448 118.140 115.700 -0.014 0.000 2.380 4901 S HA -0.287 4.184 4.470 0.002 0.000 0.229 4901 S C 1.487 176.075 174.600 -0.020 0.000 1.043 4901 S CA 1.817 60.009 58.200 -0.012 0.000 1.038 4901 S CB -1.538 61.659 63.200 -0.005 0.000 0.872 4901 S HN 0.512 nan 8.310 nan 0.000 0.456 4902 N N 0.647 119.333 118.700 -0.023 0.000 2.166 4902 N HA -0.073 4.668 4.740 0.002 0.000 0.186 4902 N C 1.795 177.285 175.510 -0.033 0.000 1.019 4902 N CA 1.517 54.552 53.050 -0.025 0.000 0.856 4902 N CB -0.247 38.226 38.487 -0.023 0.000 0.993 4902 N HN 0.401 nan 8.380 nan 0.000 0.426 4903 M N 0.907 120.480 119.600 -0.045 0.000 2.200 4903 M HA -0.028 4.454 4.480 0.002 0.000 0.265 4903 M C 1.668 177.938 176.300 -0.050 0.000 1.066 4903 M CA 1.185 56.451 55.300 -0.057 0.000 1.127 4903 M CB -0.085 32.461 32.600 -0.089 0.000 1.379 4903 M HN -0.125 nan 8.290 nan 0.000 0.420 4904 V N 0.551 120.439 119.914 -0.043 0.000 2.343 4904 V HA -0.296 3.825 4.120 0.002 0.000 0.247 4904 V C 2.439 178.512 176.094 -0.036 0.000 1.051 4904 V CA 2.234 64.513 62.300 -0.035 0.000 1.036 4904 V CB -1.213 30.597 31.823 -0.023 0.000 0.654 4904 V HN 0.578 nan 8.190 nan 0.000 0.451 4905 K N 0.776 121.157 120.400 -0.032 0.000 2.032 4905 K HA -0.292 4.029 4.320 0.002 0.000 0.209 4905 K C 2.077 178.654 176.600 -0.037 0.000 1.048 4905 K CA 2.331 58.599 56.287 -0.032 0.000 0.927 4905 K CB -0.314 32.171 32.500 -0.024 0.000 0.712 4905 K HN 0.515 nan 8.250 nan 0.000 0.441 4906 N N 0.301 118.982 118.700 -0.032 0.000 2.084 4906 N HA -0.149 4.592 4.740 0.002 0.000 0.190 4906 N C 1.883 177.379 175.510 -0.023 0.000 1.030 4906 N CA 1.396 54.431 53.050 -0.025 0.000 0.849 4906 N CB -0.087 38.387 38.487 -0.021 0.000 1.012 4906 N HN 0.172 nan 8.380 nan 0.000 0.423 4907 L N -0.810 120.395 121.223 -0.030 0.000 2.141 4907 L HA -0.095 4.246 4.340 0.002 0.000 0.209 4907 L C 2.429 179.276 176.870 -0.039 0.000 1.094 4907 L CA 1.094 55.919 54.840 -0.026 0.000 0.763 4907 L CB -0.691 41.349 42.059 -0.033 0.000 0.908 4907 L HN 0.277 nan 8.230 nan 0.000 0.437 4908 T N -1.177 113.342 114.554 -0.059 0.000 2.777 4908 T HA -0.142 4.209 4.350 0.002 0.000 0.266 4908 T C 2.115 176.736 174.700 -0.131 0.000 1.040 4908 T CA 1.687 63.729 62.100 -0.096 0.000 1.141 4908 T CB 0.020 68.832 68.868 -0.093 0.000 0.868 4908 T HN 0.301 nan 8.240 nan 0.000 0.444 4909 S N 1.223 116.859 115.700 -0.107 0.000 2.382 4909 S HA -0.119 4.352 4.470 0.002 0.000 0.228 4909 S C 2.111 176.624 174.600 -0.145 0.000 1.027 4909 S CA 1.031 59.153 58.200 -0.131 0.000 0.991 4909 S CB -0.318 62.825 63.200 -0.095 0.000 0.823 4909 S HN 0.571 nan 8.310 nan 0.000 0.469 4910 Q N 0.669 120.433 119.800 -0.059 0.000 2.061 4910 Q HA -0.087 4.254 4.340 0.002 0.000 0.204 4910 Q C 2.300 178.303 176.000 0.004 0.000 0.984 4910 Q CA 1.444 57.270 55.803 0.038 0.000 0.846 4910 Q CB -0.358 28.471 28.738 0.152 0.000 0.902 4910 Q HN 0.593 nan 8.270 nan 0.000 0.421 4911 M N -0.273 119.304 119.600 -0.038 0.000 2.108 4911 M HA -0.180 4.301 4.480 0.002 0.000 0.261 4911 M C 2.249 178.487 176.300 -0.103 0.000 1.066 4911 M CA 1.171 56.440 55.300 -0.051 0.000 1.107 4911 M CB -0.596 31.955 32.600 -0.081 0.000 1.356 4911 M HN 0.060 nan 8.290 nan 0.000 0.406 4912 V N 1.140 120.940 119.914 -0.189 0.000 2.216 4912 V HA -0.249 3.872 4.120 0.002 0.000 0.243 4912 V C 1.753 177.743 176.094 -0.173 0.000 1.044 4912 V CA 2.115 64.287 62.300 -0.213 0.000 0.995 4912 V CB -0.720 30.938 31.823 -0.274 0.000 0.633 4912 V HN 0.507 nan 8.190 nan 0.000 0.446 4913 E N -1.868 118.158 120.200 -0.289 0.000 2.485 4913 E HA -0.029 4.322 4.350 0.002 0.000 0.194 4913 E C 0.701 176.942 176.600 -0.598 0.000 1.098 4913 E CA 0.622 56.754 56.400 -0.448 0.000 0.878 4913 E CB -0.017 29.310 29.700 -0.622 0.000 0.939 4913 E HN 0.832 nan 8.360 nan 0.000 0.503 4914 Y N -2.519 117.767 120.300 -0.024 0.000 2.463 4914 Y HA 0.229 4.780 4.550 0.002 0.000 0.288 4914 Y C 1.651 177.540 175.900 -0.018 0.000 1.041 4914 Y CA -0.289 57.800 58.100 -0.019 0.000 1.054 4914 Y CB 1.457 39.904 38.460 -0.022 0.000 1.380 4914 Y HN 0.131 nan 8.280 nan 0.000 0.581 4915 G N 1.000 109.864 108.800 0.105 0.000 2.284 4915 G HA2 -0.191 3.771 3.960 0.002 0.000 0.216 4915 G HA3 -0.191 3.771 3.960 0.002 0.000 0.216 4915 G C 0.029 174.959 174.900 0.049 0.000 1.009 4915 G CA 0.241 45.376 45.100 0.059 0.000 0.625 4915 G HN 0.421 nan 8.290 nan 0.000 0.501 4916 Q N -0.862 118.988 119.800 0.084 0.000 2.738 4916 Q HA 0.621 4.962 4.340 0.002 0.000 0.301 4916 Q C -0.542 175.506 176.000 0.081 0.000 0.901 4916 Q CA -0.558 55.277 55.803 0.053 0.000 0.756 4916 Q CB 1.777 30.530 28.738 0.026 0.000 1.463 4916 Q HN 1.181 nan 8.270 nan 0.000 0.432 4917 V N -0.545 119.394 119.914 0.041 0.000 2.498 4917 V HA 0.464 4.585 4.120 0.002 0.000 0.279 4917 V C -0.178 175.914 176.094 -0.003 0.000 1.048 4917 V CA -0.793 61.530 62.300 0.038 0.000 0.967 4917 V CB 0.825 32.657 31.823 0.015 0.000 0.988 4917 V HN 0.674 nan 8.190 nan 0.000 0.473 4918 K N 4.826 125.210 120.400 -0.027 0.000 2.081 4918 K HA 0.189 4.511 4.320 0.002 0.000 0.230 4918 K C 0.375 176.941 176.600 -0.057 0.000 1.199 4918 K CA 0.337 56.572 56.287 -0.086 0.000 1.130 4918 K CB -0.446 31.960 32.500 -0.158 0.000 1.386 4918 K HN 0.915 nan 8.250 nan 0.000 0.280 4919 R N 0.298 120.772 120.500 -0.044 0.000 2.409 4919 R HA 0.551 4.892 4.340 0.002 0.000 0.313 4919 R C -0.044 176.233 176.300 -0.039 0.000 0.953 4919 R CA -0.897 55.180 56.100 -0.038 0.000 0.849 4919 R CB 1.245 31.528 30.300 -0.029 0.000 1.171 4919 R HN 0.300 nan 8.270 nan 0.000 0.458 4920 G N 2.604 111.379 108.800 -0.041 0.000 2.415 4920 G HA2 0.260 4.221 3.960 0.002 0.000 0.269 4920 G HA3 0.260 4.221 3.960 0.002 0.000 0.269 4920 G C -0.572 174.308 174.900 -0.034 0.000 1.209 4920 G CA -0.664 44.413 45.100 -0.038 0.000 0.835 4920 G HN 0.792 nan 8.290 nan 0.000 0.534 4921 E N 1.218 121.402 120.200 -0.028 0.000 2.207 4921 E HA 0.373 4.724 4.350 0.002 0.000 0.270 4921 E C -0.078 176.509 176.600 -0.021 0.000 0.927 4921 E CA -0.998 55.387 56.400 -0.024 0.000 0.799 4921 E CB 1.846 31.538 29.700 -0.014 0.000 1.172 4921 E HN 0.259 nan 8.360 nan 0.000 0.404 4922 L N 2.599 123.810 121.223 -0.021 0.000 2.591 4922 L HA 0.257 4.598 4.340 0.002 0.000 0.228 4922 L C 1.366 178.236 176.870 0.000 0.000 1.133 4922 L CA 1.503 56.335 54.840 -0.014 0.000 0.880 4922 L CB -0.526 41.522 42.059 -0.019 0.000 1.033 4922 L HN 1.065 nan 8.230 nan 0.000 0.450 4923 G N 0.409 109.212 108.800 0.005 0.000 2.212 4923 G HA2 -0.348 3.613 3.960 0.002 0.000 0.267 4923 G HA3 -0.348 3.613 3.960 0.002 0.000 0.267 4923 G C 0.461 175.375 174.900 0.024 0.000 1.002 4923 G CA 0.930 46.038 45.100 0.012 0.000 0.729 4923 G HN 0.604 nan 8.290 nan 0.000 0.517 4924 I N -2.460 118.138 120.570 0.048 0.000 2.934 4924 I HA 0.887 5.058 4.170 0.002 0.000 0.315 4924 I C 0.292 176.476 176.117 0.111 0.000 0.997 4924 I CA -1.430 59.907 61.300 0.062 0.000 1.184 4924 I CB 1.123 39.179 38.000 0.094 0.000 1.400 4924 I HN 0.024 nan 8.210 nan 0.000 0.549 4925 M N 2.623 122.260 119.600 0.062 0.000 2.433 4925 M HA 0.735 5.217 4.480 0.002 0.000 0.290 4925 M C -0.280 175.924 176.300 -0.159 0.000 1.173 4925 M CA -0.396 54.923 55.300 0.033 0.000 0.905 4925 M CB 2.084 34.673 32.600 -0.018 0.000 1.692 4925 M HN 1.105 nan 8.290 nan 0.000 0.462 4926 G N 1.025 109.537 108.800 -0.479 0.000 2.335 4926 G HA2 0.649 4.611 3.960 0.002 0.000 0.291 4926 G HA3 0.649 4.611 3.960 0.002 0.000 0.291 4926 G C -1.081 173.093 174.900 -1.210 0.000 1.261 4926 G CA 0.211 44.910 45.100 -0.668 0.000 0.871 4926 G HN 0.827 nan 8.290 nan 0.000 0.491 4927 T N -3.083 111.010 114.554 -0.769 0.000 2.611 4927 T HA 0.681 5.032 4.350 0.002 0.000 0.269 4927 T C -0.808 173.843 174.700 -0.081 0.000 1.032 4927 T CA -0.541 61.223 62.100 -0.560 0.000 1.178 4927 T CB 1.359 70.064 68.868 -0.271 0.000 1.651 4927 T HN 0.533 nan 8.240 nan 0.000 0.456 4928 E N 0.346 120.562 120.200 0.026 0.000 2.405 4928 E HA 0.407 4.758 4.350 0.002 0.000 0.253 4928 E C 0.600 177.254 176.600 0.090 0.000 1.257 4928 E CA -0.515 55.940 56.400 0.091 0.000 0.960 4928 E CB 0.348 30.085 29.700 0.063 0.000 1.077 4928 E HN 0.552 nan 8.360 nan 0.000 0.512 4929 L N 1.576 122.818 121.223 0.030 0.000 2.653 4929 L HA 0.105 4.446 4.340 0.002 0.000 0.232 4929 L C 1.140 177.966 176.870 -0.073 0.000 1.169 4929 L CA 0.038 54.838 54.840 -0.067 0.000 0.951 4929 L CB -0.175 41.839 42.059 -0.075 0.000 1.181 4929 L HN 0.184 nan 8.230 nan 0.000 0.460 4930 N N -0.818 117.866 118.700 -0.027 0.000 2.407 4930 N HA 0.013 4.754 4.740 0.002 0.000 0.182 4930 N C 0.856 176.354 175.510 -0.019 0.000 1.079 4930 N CA 0.268 53.302 53.050 -0.027 0.000 0.882 4930 N CB 0.309 38.789 38.487 -0.011 0.000 1.106 4930 N HN 0.256 nan 8.380 nan 0.000 0.461 4931 S N 1.432 117.136 115.700 0.007 0.000 2.542 4931 S HA -0.074 4.398 4.470 0.002 0.000 0.287 4931 S C 1.156 175.766 174.600 0.016 0.000 1.315 4931 S CA 0.053 58.267 58.200 0.025 0.000 1.037 4931 S CB 0.647 63.894 63.200 0.078 0.000 0.822 4931 S HN 0.222 nan 8.310 nan 0.000 0.513 4932 E N 1.002 121.211 120.200 0.014 0.000 2.209 4932 E HA -0.137 4.214 4.350 0.002 0.000 0.196 4932 E C 1.624 178.241 176.600 0.028 0.000 0.993 4932 E CA 1.248 57.652 56.400 0.008 0.000 0.819 4932 E CB -0.427 29.274 29.700 0.002 0.000 0.745 4932 E HN 0.638 nan 8.360 nan 0.000 0.477 4933 L N 0.145 121.419 121.223 0.084 0.000 2.313 4933 L HA 0.003 4.345 4.340 0.002 0.000 0.214 4933 L C 2.373 179.347 176.870 0.173 0.000 1.119 4933 L CA 0.420 55.360 54.840 0.166 0.000 0.809 4933 L CB -0.218 41.983 42.059 0.238 0.000 0.933 4933 L HN 0.131 nan 8.230 nan 0.000 0.449 4934 A N -0.072 122.744 122.820 -0.007 0.000 2.067 4934 A HA -0.086 4.236 4.320 0.002 0.000 0.217 4934 A C 2.260 179.694 177.584 -0.250 0.000 1.156 4934 A CA 0.917 52.685 52.037 -0.448 0.000 0.683 4934 A CB -0.008 18.703 19.000 -0.481 0.000 0.808 4934 A HN 0.278 nan 8.150 nan 0.000 0.455 4935 K N -0.561 119.771 120.400 -0.113 0.000 2.121 4935 K HA 0.216 4.537 4.320 0.002 0.000 0.203 4935 K C 2.112 178.683 176.600 -0.049 0.000 1.041 4935 K CA 0.752 56.992 56.287 -0.079 0.000 0.969 4935 K CB -0.188 32.281 32.500 -0.052 0.000 0.799 4935 K HN 0.298 nan 8.250 nan 0.000 0.456 4936 A N 0.950 123.757 122.820 -0.021 0.000 2.234 4936 A HA -0.083 4.238 4.320 0.002 0.000 0.216 4936 A C 1.691 179.277 177.584 0.003 0.000 1.167 4936 A CA 1.341 53.376 52.037 -0.004 0.000 0.698 4936 A CB -0.421 18.585 19.000 0.011 0.000 0.779 4936 A HN 0.240 nan 8.150 nan 0.000 0.475 4937 M N -1.054 118.543 119.600 -0.006 0.000 2.300 4937 M HA 0.135 4.616 4.480 0.002 0.000 0.313 4937 M C -0.757 175.519 176.300 -0.040 0.000 0.988 4937 M CA -0.192 55.112 55.300 0.006 0.000 1.012 4937 M CB 0.533 33.181 32.600 0.080 0.000 1.586 4937 M HN 0.194 nan 8.290 nan 0.000 0.562 4938 K N 2.117 122.474 120.400 -0.072 0.000 5.530 4938 K HA -0.120 4.201 4.320 0.002 0.000 0.493 4938 K C -0.504 176.029 176.600 -0.111 0.000 1.192 4938 K CA 0.230 56.466 56.287 -0.086 0.000 1.270 4938 K CB -1.606 30.864 32.500 -0.051 0.000 1.888 4938 K HN 0.330 nan 8.250 nan 0.000 0.326 4939 V N -0.354 119.454 119.914 -0.178 0.000 2.407 4939 V HA 0.301 4.422 4.120 0.002 0.000 0.278 4939 V C 0.469 176.491 176.094 -0.121 0.000 1.037 4939 V CA -0.945 61.240 62.300 -0.191 0.000 0.900 4939 V CB 1.559 33.158 31.823 -0.373 0.000 0.983 4939 V HN 0.410 nan 8.190 nan 0.000 0.459 4940 D N 3.700 124.054 120.400 -0.075 0.000 2.341 4940 D HA 0.469 5.110 4.640 0.002 0.000 0.245 4940 D C 0.828 177.101 176.300 -0.045 0.000 1.106 4940 D CA 1.057 55.027 54.000 -0.049 0.000 0.905 4940 D CB 1.513 42.296 40.800 -0.029 0.000 1.202 4940 D HN 1.505 nan 8.370 nan 0.000 0.426 4941 A N 2.544 125.343 122.820 -0.035 0.000 1.786 4941 A HA -0.251 4.070 4.320 0.002 0.000 0.237 4941 A C -0.102 177.463 177.584 -0.033 0.000 1.309 4941 A CA 0.533 52.554 52.037 -0.026 0.000 0.713 4941 A CB -1.535 17.456 19.000 -0.014 0.000 1.194 4941 A HN 0.537 nan 8.150 nan 0.000 0.252 4942 Q N 0.695 120.472 119.800 -0.040 0.000 2.398 4942 Q HA 0.570 4.911 4.340 0.002 0.000 0.251 4942 Q C 0.200 176.188 176.000 -0.020 0.000 0.999 4942 Q CA -0.244 55.532 55.803 -0.045 0.000 0.874 4942 Q CB 0.836 29.533 28.738 -0.069 0.000 1.215 4942 Q HN 0.818 nan 8.270 nan 0.000 0.470 4943 R N 0.405 120.902 120.500 -0.004 0.000 2.812 4943 R HA 0.496 4.837 4.340 0.002 0.000 0.179 4943 R C -0.570 175.747 176.300 0.028 0.000 1.407 4943 R CA -0.350 55.757 56.100 0.011 0.000 1.031 4943 R CB -0.247 30.057 30.300 0.007 0.000 1.491 4943 R HN 0.643 nan 8.270 nan 0.000 0.619 4944 G N -0.110 108.719 108.800 0.047 0.000 2.348 4944 G HA2 0.603 4.565 3.960 0.002 0.000 0.296 4944 G HA3 0.603 4.565 3.960 0.002 0.000 0.296 4944 G C -1.599 173.376 174.900 0.124 0.000 1.258 4944 G CA -0.356 44.788 45.100 0.074 0.000 0.868 4944 G HN 0.544 nan 8.290 nan 0.000 0.488 4945 A N -0.176 122.743 122.820 0.165 0.000 2.260 4945 A HA 0.681 5.002 4.320 0.002 0.000 0.308 4945 A C -0.696 177.064 177.584 0.293 0.000 1.254 4945 A CA -0.496 51.701 52.037 0.266 0.000 0.874 4945 A CB 0.238 19.428 19.000 0.317 0.000 1.153 4945 A HN 1.118 nan 8.150 nan 0.000 0.527 4946 F N 3.830 123.818 119.950 0.063 0.000 2.445 4946 F HA 0.402 4.930 4.527 0.002 0.000 0.359 4946 F C -0.094 175.697 175.800 -0.016 0.000 1.101 4946 F CA -0.695 57.307 58.000 0.004 0.000 1.177 4946 F CB 0.897 39.873 39.000 -0.040 0.000 1.110 4946 F HN 0.305 nan 8.300 nan 0.000 0.522 4947 V N 6.839 126.655 119.914 -0.163 0.000 2.356 4947 V HA -0.019 4.102 4.120 0.002 0.000 0.258 4947 V C 0.778 176.449 176.094 -0.704 0.000 1.065 4947 V CA 0.220 62.336 62.300 -0.307 0.000 0.935 4947 V CB 0.642 32.412 31.823 -0.088 0.000 1.061 4947 V HN 0.951 nan 8.190 nan 0.000 0.484 4948 S N 4.138 119.421 115.700 -0.695 0.000 2.436 4948 S HA 0.026 4.497 4.470 0.002 0.000 0.228 4948 S C 0.603 175.007 174.600 -0.326 0.000 1.014 4948 S CA 0.913 58.739 58.200 -0.624 0.000 0.950 4948 S CB 0.057 62.979 63.200 -0.464 0.000 0.784 4948 S HN 0.947 nan 8.310 nan 0.000 0.504 4949 Q N -0.778 118.883 119.800 -0.231 0.000 2.617 4949 Q HA 0.519 4.860 4.340 0.002 0.000 0.270 4949 Q C -1.611 174.338 176.000 -0.084 0.000 0.967 4949 Q CA -0.833 54.890 55.803 -0.133 0.000 0.887 4949 Q CB 1.447 30.120 28.738 -0.108 0.000 1.516 4949 Q HN -0.015 nan 8.270 nan 0.000 0.395 4950 V N 3.413 123.293 119.914 -0.056 0.000 2.370 4950 V HA 0.436 4.557 4.120 0.002 0.000 0.279 4950 V C -0.352 175.727 176.094 -0.024 0.000 1.029 4950 V CA -0.706 61.576 62.300 -0.030 0.000 0.870 4950 V CB 1.050 32.860 31.823 -0.022 0.000 0.984 4950 V HN 0.812 nan 8.190 nan 0.000 0.451 4951 L N 9.042 130.256 121.223 -0.014 0.000 2.485 4951 L HA 0.258 4.599 4.340 0.002 0.000 0.275 4951 L C -1.923 174.939 176.870 -0.012 0.000 1.207 4951 L CA -1.225 53.608 54.840 -0.012 0.000 0.855 4951 L CB 0.850 42.907 42.059 -0.004 0.000 1.114 4951 L HN 0.534 nan 8.230 nan 0.000 0.485 4952 P HA -0.002 nan 4.420 nan 0.000 0.269 4952 P C -0.243 177.051 177.300 -0.011 0.000 1.215 4952 P CA 0.042 63.134 63.100 -0.012 0.000 0.780 4952 P CB 0.235 31.927 31.700 -0.013 0.000 0.898 4953 N N -2.027 116.666 118.700 -0.010 0.000 2.666 4953 N HA -0.194 4.547 4.740 0.002 0.000 0.248 4953 N C -0.093 175.411 175.510 -0.010 0.000 1.118 4953 N CA 0.428 53.472 53.050 -0.010 0.000 0.722 4953 N CB -0.962 37.519 38.487 -0.011 0.000 1.050 4953 N HN 0.550 nan 8.380 nan 0.000 0.550 4954 S N -2.106 113.588 115.700 -0.009 0.000 2.730 4954 S HA 0.449 4.920 4.470 0.002 0.000 0.284 4954 S C 1.141 175.735 174.600 -0.009 0.000 1.153 4954 S CA -0.214 57.981 58.200 -0.009 0.000 0.995 4954 S CB 1.999 65.195 63.200 -0.007 0.000 1.058 4954 S HN 0.081 nan 8.310 nan 0.000 0.552 4955 S N -0.123 115.571 115.700 -0.009 0.000 2.425 4955 S HA 0.083 4.554 4.470 0.002 0.000 0.225 4955 S C 1.972 176.568 174.600 -0.007 0.000 1.024 4955 S CA 0.776 58.970 58.200 -0.009 0.000 0.951 4955 S CB -1.107 62.086 63.200 -0.012 0.000 0.796 4955 S HN 0.891 nan 8.310 nan 0.000 0.498 4956 A N 1.432 124.249 122.820 -0.005 0.000 1.898 4956 A HA 0.235 4.556 4.320 0.002 0.000 0.216 4956 A C 2.398 179.980 177.584 -0.003 0.000 1.181 4956 A CA 1.748 53.784 52.037 -0.002 0.000 0.620 4956 A CB -1.304 17.698 19.000 0.003 0.000 0.819 4956 A HN 0.673 nan 8.150 nan 0.000 0.442 4957 A N -0.194 122.623 122.820 -0.005 0.000 1.841 4957 A HA -0.129 4.192 4.320 0.002 0.000 0.214 4957 A C 2.188 179.769 177.584 -0.006 0.000 1.195 4957 A CA 1.999 54.032 52.037 -0.007 0.000 0.611 4957 A CB -0.536 18.459 19.000 -0.009 0.000 0.835 4957 A HN 0.343 nan 8.150 nan 0.000 0.443 4958 K N 0.250 120.646 120.400 -0.007 0.000 1.987 4958 K HA -0.180 4.142 4.320 0.002 0.000 0.216 4958 K C 2.165 178.761 176.600 -0.006 0.000 1.051 4958 K CA 2.082 58.365 56.287 -0.007 0.000 0.942 4958 K CB -0.908 31.587 32.500 -0.008 0.000 0.722 4958 K HN 0.363 nan 8.250 nan 0.000 0.444 4959 A N -0.076 122.741 122.820 -0.005 0.000 1.972 4959 A HA 0.082 4.403 4.320 0.002 0.000 0.219 4959 A C 0.866 178.448 177.584 -0.002 0.000 1.169 4959 A CA 1.728 53.762 52.037 -0.004 0.000 0.635 4959 A CB -0.520 18.477 19.000 -0.004 0.000 0.810 4959 A HN 0.630 nan 8.150 nan 0.000 0.446 4960 G N -1.743 107.056 108.800 -0.002 0.000 2.957 4960 G HA2 0.366 4.328 3.960 0.002 0.000 0.636 4960 G HA3 0.366 4.328 3.960 0.002 0.000 0.636 4960 G C -0.949 173.952 174.900 0.002 0.000 1.401 4960 G CA -0.267 44.833 45.100 0.000 0.000 0.941 4960 G HN 0.848 nan 8.290 nan 0.000 0.610 4961 I N 0.462 121.034 120.570 0.002 0.000 2.397 4961 I HA 0.278 4.449 4.170 0.002 0.000 0.311 4961 I C -1.097 175.020 176.117 0.000 0.000 2.151 4961 I CA -0.944 60.359 61.300 0.005 0.000 0.931 4961 I CB 2.178 40.181 38.000 0.006 0.000 1.653 4961 I HN 0.641 nan 8.210 nan 0.000 0.634 4962 K N 3.107 123.508 120.400 0.002 0.000 2.523 4962 K HA 0.729 5.050 4.320 0.002 0.000 0.257 4962 K C -0.643 175.950 176.600 -0.011 0.000 0.932 4962 K CA -0.709 55.574 56.287 -0.006 0.000 0.812 4962 K CB 2.372 34.871 32.500 -0.000 0.000 1.326 4962 K HN 0.662 nan 8.250 nan 0.000 0.433 4963 A N 0.932 123.727 122.820 -0.040 0.000 2.609 4963 A HA 0.322 4.643 4.320 0.002 0.000 0.232 4963 A C 1.224 178.800 177.584 -0.013 0.000 1.041 4963 A CA 1.801 53.787 52.037 -0.085 0.000 0.753 4963 A CB -0.671 18.258 19.000 -0.118 0.000 0.966 4963 A HN 1.033 nan 8.150 nan 0.000 0.510 4964 G N 1.509 110.318 108.800 0.015 0.000 2.604 4964 G HA2 -0.191 3.771 3.960 0.002 0.000 0.205 4964 G HA3 -0.191 3.771 3.960 0.002 0.000 0.205 4964 G C -0.010 175.070 174.900 0.300 0.000 1.186 4964 G CA 0.182 45.459 45.100 0.294 0.000 0.753 4964 G HN 0.933 nan 8.290 nan 0.000 0.526 4965 D N 1.314 121.803 120.400 0.148 0.000 2.548 4965 D HA 0.333 4.974 4.640 0.002 0.000 0.231 4965 D C 0.398 176.800 176.300 0.171 0.000 1.142 4965 D CA 0.715 54.789 54.000 0.122 0.000 0.866 4965 D CB 1.693 42.537 40.800 0.072 0.000 1.190 4965 D HN 0.363 nan 8.370 nan 0.000 0.469 4966 V N 3.598 123.600 119.914 0.145 0.000 2.334 4966 V HA 0.154 4.275 4.120 0.002 0.000 0.281 4966 V C 0.490 176.646 176.094 0.104 0.000 1.016 4966 V CA -0.919 61.476 62.300 0.159 0.000 0.832 4966 V CB 1.026 32.920 31.823 0.119 0.000 0.999 4966 V HN 0.299 nan 8.190 nan 0.000 0.439 4967 I N 4.383 125.017 120.570 0.107 0.000 2.710 4967 I HA 0.074 4.245 4.170 0.002 0.000 0.286 4967 I C 1.463 177.616 176.117 0.061 0.000 1.181 4967 I CA 1.116 62.459 61.300 0.073 0.000 1.430 4967 I CB 0.876 38.916 38.000 0.067 0.000 1.367 4967 I HN 0.690 nan 8.210 nan 0.000 0.577 4968 T N 2.321 116.900 114.554 0.042 0.000 2.969 4968 T HA 0.190 4.541 4.350 0.002 0.000 0.250 4968 T C 0.292 175.006 174.700 0.023 0.000 1.021 4968 T CA 0.357 62.476 62.100 0.032 0.000 1.003 4968 T CB 0.109 68.992 68.868 0.025 0.000 1.040 4968 T HN 0.731 nan 8.240 nan 0.000 0.492 4969 S N 0.396 116.107 115.700 0.019 0.000 2.625 4969 S HA 0.729 5.201 4.470 0.002 0.000 0.271 4969 S C -1.806 172.798 174.600 0.006 0.000 1.161 4969 S CA -0.978 57.229 58.200 0.010 0.000 0.820 4969 S CB 1.846 65.050 63.200 0.008 0.000 1.137 4969 S HN 0.166 nan 8.310 nan 0.000 0.470 4970 L N 1.736 122.959 121.223 -0.001 0.000 2.504 4970 L HA 0.479 4.820 4.340 0.002 0.000 0.265 4970 L C -1.130 175.736 176.870 -0.007 0.000 0.975 4970 L CA -0.332 54.504 54.840 -0.006 0.000 0.864 4970 L CB 0.867 42.918 42.059 -0.015 0.000 1.212 4970 L HN 0.949 nan 8.230 nan 0.000 0.416 4971 N N 3.668 122.364 118.700 -0.006 0.000 2.746 4971 N HA -0.186 4.555 4.740 0.002 0.000 0.250 4971 N C 0.876 176.384 175.510 -0.004 0.000 1.055 4971 N CA 1.382 54.428 53.050 -0.006 0.000 0.699 4971 N CB -1.031 37.451 38.487 -0.009 0.000 0.919 4971 N HN 1.128 nan 8.380 nan 0.000 0.548 4972 G N -1.702 107.097 108.800 -0.002 0.000 2.458 4972 G HA2 -0.405 3.556 3.960 0.002 0.000 0.237 4972 G HA3 -0.405 3.556 3.960 0.002 0.000 0.237 4972 G C 0.185 175.085 174.900 0.000 0.000 1.113 4972 G CA 0.890 45.989 45.100 -0.001 0.000 0.655 4972 G HN 0.529 nan 8.290 nan 0.000 0.513 4973 K N 2.260 122.659 120.400 -0.001 0.000 2.298 4973 K HA 0.508 4.830 4.320 0.002 0.000 0.280 4973 K C -2.374 174.227 176.600 0.002 0.000 1.032 4973 K CA -1.551 54.736 56.287 -0.001 0.000 0.958 4973 K CB 0.721 33.219 32.500 -0.003 0.000 0.978 4973 K HN 0.151 nan 8.250 nan 0.000 0.472 4974 P HA -0.002 nan 4.420 nan 0.000 0.265 4974 P C -0.693 176.612 177.300 0.009 0.000 1.193 4974 P CA 0.195 63.300 63.100 0.007 0.000 0.765 4974 P CB 0.437 32.142 31.700 0.008 0.000 0.823 4975 I N 2.754 123.333 120.570 0.015 0.000 2.437 4975 I HA 0.082 4.253 4.170 0.002 0.000 0.279 4975 I C 0.988 177.124 176.117 0.031 0.000 1.028 4975 I CA -0.086 61.225 61.300 0.018 0.000 1.142 4975 I CB 0.876 38.888 38.000 0.020 0.000 1.266 4975 I HN 0.317 nan 8.210 nan 0.000 0.461 4976 S N 2.843 118.561 115.700 0.030 0.000 2.548 4976 S HA 0.180 4.651 4.470 0.002 0.000 0.215 4976 S C 0.569 175.201 174.600 0.054 0.000 0.976 4976 S CA -0.255 57.967 58.200 0.036 0.000 0.908 4976 S CB 0.023 63.239 63.200 0.026 0.000 0.781 4976 S HN 0.654 nan 8.310 nan 0.000 0.519 4977 S N -0.441 115.299 115.700 0.067 0.000 2.543 4977 S HA 0.540 5.012 4.470 0.002 0.000 0.274 4977 S C -0.043 174.641 174.600 0.141 0.000 1.149 4977 S CA -0.832 57.432 58.200 0.106 0.000 0.866 4977 S CB 0.291 63.543 63.200 0.086 0.000 1.111 4977 S HN -0.025 nan 8.310 nan 0.000 0.457 4978 F N 2.624 122.596 119.950 0.037 0.000 2.087 4978 F HA -0.131 4.398 4.527 0.002 0.000 0.299 4978 F C 2.568 178.383 175.800 0.025 0.000 1.100 4978 F CA 2.634 60.653 58.000 0.032 0.000 1.226 4978 F CB -0.991 38.029 39.000 0.034 0.000 0.983 4978 F HN 0.932 nan 8.300 nan 0.000 0.479 4979 A N 0.522 123.412 122.820 0.117 0.000 1.870 4979 A HA -0.296 4.025 4.320 0.002 0.000 0.219 4979 A C 2.509 180.064 177.584 -0.048 0.000 1.224 4979 A CA 3.097 55.148 52.037 0.025 0.000 0.650 4979 A CB -1.816 17.224 19.000 0.067 0.000 0.836 4979 A HN 0.644 nan 8.150 nan 0.000 0.454 4980 A N -0.862 121.949 122.820 -0.015 0.000 1.903 4980 A HA -0.203 4.118 4.320 0.002 0.000 0.219 4980 A C 2.314 179.855 177.584 -0.071 0.000 1.191 4980 A CA 1.942 53.964 52.037 -0.025 0.000 0.638 4980 A CB -0.753 18.245 19.000 -0.003 0.000 0.823 4980 A HN 0.664 nan 8.150 nan 0.000 0.451 4981 L N -1.435 119.718 121.223 -0.117 0.000 2.027 4981 L HA -0.166 4.175 4.340 0.002 0.000 0.206 4981 L C 2.817 179.534 176.870 -0.255 0.000 1.074 4981 L CA 1.860 56.596 54.840 -0.172 0.000 0.745 4981 L CB -0.349 41.597 42.059 -0.190 0.000 0.898 4981 L HN 0.472 nan 8.230 nan 0.000 0.433 4982 R N -0.473 119.778 120.500 -0.415 0.000 2.105 4982 R HA -0.203 4.138 4.340 0.002 0.000 0.239 4982 R C 2.158 178.350 176.300 -0.180 0.000 1.135 4982 R CA 1.564 57.431 56.100 -0.388 0.000 0.967 4982 R CB -0.232 29.793 30.300 -0.459 0.000 0.861 4982 R HN 0.512 nan 8.270 nan 0.000 0.442 4983 A N 0.108 122.854 122.820 -0.124 0.000 1.929 4983 A HA -0.136 4.185 4.320 0.002 0.000 0.216 4983 A C 1.965 179.514 177.584 -0.059 0.000 1.176 4983 A CA 0.977 52.977 52.037 -0.061 0.000 0.628 4983 A CB -0.271 18.714 19.000 -0.026 0.000 0.816 4983 A HN 0.397 nan 8.150 nan 0.000 0.444 4984 Q N -0.148 119.610 119.800 -0.068 0.000 2.119 4984 Q HA -0.111 4.230 4.340 0.002 0.000 0.201 4984 Q C 2.083 178.049 176.000 -0.058 0.000 0.972 4984 Q CA 1.867 57.638 55.803 -0.054 0.000 0.847 4984 Q CB -0.368 28.340 28.738 -0.050 0.000 0.903 4984 Q HN 0.707 nan 8.270 nan 0.000 0.433 4985 V N -2.886 116.982 119.914 -0.077 0.000 3.141 4985 V HA 0.046 4.167 4.120 0.002 0.000 0.265 4985 V C 1.714 177.772 176.094 -0.059 0.000 1.126 4985 V CA 1.581 63.840 62.300 -0.069 0.000 1.141 4985 V CB -0.873 30.898 31.823 -0.086 0.000 0.743 4985 V HN 0.267 nan 8.190 nan 0.000 0.492 4986 G N -0.254 108.511 108.800 -0.059 0.000 2.985 4986 G HA2 0.085 4.046 3.960 0.002 0.000 0.209 4986 G HA3 0.085 4.046 3.960 0.002 0.000 0.209 4986 G C 0.916 175.791 174.900 -0.041 0.000 1.165 4986 G CA 0.716 45.788 45.100 -0.048 0.000 0.776 4986 G HN 0.503 nan 8.290 nan 0.000 0.541 4987 T N 1.132 115.663 114.554 -0.039 0.000 3.269 4987 T HA 0.469 4.820 4.350 0.002 0.000 0.269 4987 T C -0.091 174.590 174.700 -0.032 0.000 0.993 4987 T CA 0.013 62.093 62.100 -0.034 0.000 0.909 4987 T CB -0.171 68.679 68.868 -0.030 0.000 1.115 4987 T HN 0.096 nan 8.240 nan 0.000 0.543 4988 M N 1.917 121.496 119.600 -0.035 0.000 2.182 4988 M HA 0.352 4.833 4.480 0.002 0.000 0.266 4988 M C -2.995 173.282 176.300 -0.038 0.000 0.989 4988 M CA -1.607 53.673 55.300 -0.034 0.000 1.003 4988 M CB 2.819 35.398 32.600 -0.034 0.000 1.812 4988 M HN -0.193 nan 8.290 nan 0.000 0.472 4989 P HA 0.249 nan 4.420 nan 0.000 0.274 4989 P C -0.415 176.852 177.300 -0.055 0.000 1.231 4989 P CA -0.537 62.532 63.100 -0.051 0.000 0.790 4989 P CB 0.541 32.209 31.700 -0.053 0.000 0.951 4990 V N 1.526 121.401 119.914 -0.066 0.000 3.212 4990 V HA -0.039 4.082 4.120 0.002 0.000 0.280 4990 V C 1.925 177.985 176.094 -0.056 0.000 1.369 4990 V CA 1.695 63.957 62.300 -0.063 0.000 1.428 4990 V CB -1.291 30.485 31.823 -0.080 0.000 0.980 4990 V HN 1.058 nan 8.190 nan 0.000 0.527 4991 G N 2.197 110.969 108.800 -0.046 0.000 2.228 4991 G HA2 -0.307 3.654 3.960 0.002 0.000 0.270 4991 G HA3 -0.307 3.654 3.960 0.002 0.000 0.270 4991 G C 0.445 175.325 174.900 -0.033 0.000 0.976 4991 G CA 0.520 45.597 45.100 -0.039 0.000 0.636 4991 G HN 0.946 nan 8.290 nan 0.000 0.542 4992 S N 0.052 115.732 115.700 -0.033 0.000 2.589 4992 S HA 0.470 4.941 4.470 0.002 0.000 0.265 4992 S C 0.461 175.047 174.600 -0.024 0.000 1.342 4992 S CA 0.182 58.365 58.200 -0.028 0.000 1.005 4992 S CB 0.926 64.109 63.200 -0.029 0.000 0.909 4992 S HN 0.453 nan 8.310 nan 0.000 0.555 4993 K N 1.863 122.251 120.400 -0.020 0.000 2.413 4993 K HA 0.487 4.808 4.320 0.002 0.000 0.257 4993 K C -1.044 175.547 176.600 -0.016 0.000 0.946 4993 K CA -0.399 55.878 56.287 -0.017 0.000 0.823 4993 K CB 1.164 33.656 32.500 -0.014 0.000 1.109 4993 K HN 0.525 nan 8.250 nan 0.000 0.427 4994 L N 0.110 121.324 121.223 -0.015 0.000 2.446 4994 L HA 0.475 4.816 4.340 0.002 0.000 0.268 4994 L C -0.521 176.343 176.870 -0.011 0.000 0.975 4994 L CA -0.715 54.116 54.840 -0.014 0.000 0.848 4994 L CB 1.878 43.926 42.059 -0.018 0.000 1.225 4994 L HN 0.365 nan 8.230 nan 0.000 0.410 4995 T N 5.126 119.676 114.554 -0.008 0.000 2.749 4995 T HA 0.665 5.016 4.350 0.002 0.000 0.295 4995 T C -0.381 174.318 174.700 -0.003 0.000 0.936 4995 T CA -0.207 61.890 62.100 -0.005 0.000 1.060 4995 T CB 0.162 69.028 68.868 -0.004 0.000 0.904 4995 T HN 0.491 nan 8.240 nan 0.000 0.500 4996 L N 4.056 125.279 121.223 0.000 0.000 2.341 4996 L HA 0.847 5.189 4.340 0.002 0.000 0.267 4996 L C 0.519 177.395 176.870 0.009 0.000 1.009 4996 L CA -1.243 53.599 54.840 0.004 0.000 0.819 4996 L CB 0.904 42.966 42.059 0.004 0.000 1.323 4996 L HN 0.607 nan 8.230 nan 0.000 0.425 4997 G N 1.682 110.489 108.800 0.012 0.000 2.325 4997 G HA2 0.645 4.606 3.960 0.002 0.000 0.298 4997 G HA3 0.645 4.606 3.960 0.002 0.000 0.298 4997 G C -0.530 174.384 174.900 0.023 0.000 1.134 4997 G CA -0.413 44.696 45.100 0.015 0.000 0.876 4997 G HN 0.514 nan 8.290 nan 0.000 0.452 4998 L N 0.940 122.178 121.223 0.025 0.000 2.376 4998 L HA 0.682 5.023 4.340 0.002 0.000 0.267 4998 L C -0.254 176.636 176.870 0.034 0.000 1.035 4998 L CA -1.050 53.811 54.840 0.035 0.000 0.800 4998 L CB 2.026 44.106 42.059 0.034 0.000 1.290 4998 L HN 0.340 nan 8.230 nan 0.000 0.462 4999 L N 0.604 121.853 121.223 0.043 0.000 2.482 4999 L HA 0.428 4.769 4.340 0.002 0.000 0.269 4999 L C -0.134 176.760 176.870 0.041 0.000 0.967 4999 L CA -0.088 54.773 54.840 0.036 0.000 0.851 4999 L CB 1.549 43.628 42.059 0.034 0.000 1.242 4999 L HN 0.638 nan 8.230 nan 0.000 0.404 5000 R N 1.118 121.636 120.500 0.030 0.000 2.716 5000 R HA 0.234 4.575 4.340 0.002 0.000 0.186 5000 R C -0.149 176.162 176.300 0.019 0.000 0.830 5000 R CA 0.545 56.663 56.100 0.030 0.000 1.059 5000 R CB 0.791 31.108 30.300 0.029 0.000 1.531 5000 R HN 0.728 nan 8.270 nan 0.000 0.633 5001 D N -2.431 117.978 120.400 0.015 0.000 2.153 5001 D HA 0.146 4.787 4.640 0.002 0.000 0.388 5001 D C 0.209 176.514 176.300 0.009 0.000 1.014 5001 D CA 0.764 54.770 54.000 0.010 0.000 0.906 5001 D CB 1.821 42.626 40.800 0.009 0.000 1.552 5001 D HN 0.312 nan 8.370 nan 0.000 0.522 5002 G N 1.810 110.617 108.800 0.012 0.000 2.885 5002 G HA2 -0.031 3.930 3.960 0.002 0.000 0.233 5002 G HA3 -0.031 3.930 3.960 0.002 0.000 0.233 5002 G C -0.634 174.273 174.900 0.012 0.000 2.964 5002 G CA -0.717 44.390 45.100 0.011 0.000 0.824 5002 G HN -0.157 nan 8.290 nan 0.000 0.441 5003 K N 0.525 120.934 120.400 0.015 0.000 2.130 5003 K HA 0.724 5.045 4.320 0.002 0.000 0.268 5003 K C -0.123 176.486 176.600 0.015 0.000 0.983 5003 K CA -0.583 55.713 56.287 0.014 0.000 0.893 5003 K CB 2.441 34.952 32.500 0.017 0.000 1.066 5003 K HN 0.550 nan 8.250 nan 0.000 0.450 5004 Q N 1.099 120.906 119.800 0.012 0.000 2.353 5004 Q HA 0.502 4.843 4.340 0.002 0.000 0.275 5004 Q C -1.626 174.379 176.000 0.008 0.000 1.029 5004 Q CA -0.646 55.163 55.803 0.011 0.000 0.848 5004 Q CB 1.938 30.681 28.738 0.009 0.000 1.390 5004 Q HN 0.372 nan 8.270 nan 0.000 0.401 5005 V N 1.892 121.810 119.914 0.007 0.000 3.167 5005 V HA 0.657 4.778 4.120 0.002 0.000 0.310 5005 V C -1.104 174.992 176.094 0.002 0.000 1.207 5005 V CA -1.044 61.259 62.300 0.004 0.000 1.059 5005 V CB 2.251 34.076 31.823 0.004 0.000 1.079 5005 V HN 0.944 nan 8.190 nan 0.000 0.446 5006 N N 0.904 119.604 118.700 -0.000 0.000 2.225 5006 N HA 0.815 5.556 4.740 0.002 0.000 0.298 5006 N C -1.046 174.462 175.510 -0.004 0.000 1.076 5006 N CA -0.453 52.595 53.050 -0.003 0.000 0.792 5006 N CB 2.378 40.863 38.487 -0.003 0.000 1.498 5006 N HN 1.073 nan 8.380 nan 0.000 0.474 5007 V N -1.586 118.324 119.914 -0.006 0.000 3.282 5007 V HA 0.619 4.740 4.120 0.002 0.000 0.295 5007 V C -1.423 174.664 176.094 -0.011 0.000 1.451 5007 V CA -1.162 61.133 62.300 -0.008 0.000 1.062 5007 V CB 1.752 33.571 31.823 -0.007 0.000 1.128 5007 V HN 0.956 nan 8.190 nan 0.000 0.456 5008 N N 1.864 120.556 118.700 -0.013 0.000 2.372 5008 N HA 0.533 5.275 4.740 0.002 0.000 0.285 5008 N C -0.973 174.526 175.510 -0.019 0.000 1.008 5008 N CA -0.457 52.583 53.050 -0.017 0.000 0.880 5008 N CB 1.849 40.326 38.487 -0.017 0.000 1.239 5008 N HN 0.914 nan 8.380 nan 0.000 0.484 5009 L N 0.836 122.046 121.223 -0.022 0.000 2.399 5009 L HA 0.636 4.977 4.340 0.002 0.000 0.265 5009 L C 0.651 177.504 176.870 -0.028 0.000 1.089 5009 L CA -0.512 54.313 54.840 -0.023 0.000 0.802 5009 L CB 0.185 42.228 42.059 -0.025 0.000 1.180 5009 L HN 0.549 nan 8.230 nan 0.000 0.454 5010 E N 0.959 121.143 120.200 -0.027 0.000 2.316 5010 E HA 0.354 4.705 4.350 0.002 0.000 0.258 5010 E C -0.687 175.893 176.600 -0.033 0.000 0.952 5010 E CA -1.098 55.283 56.400 -0.031 0.000 0.818 5010 E CB 1.408 31.092 29.700 -0.027 0.000 1.260 5010 E HN 0.543 nan 8.360 nan 0.000 0.416 5011 L N 1.842 123.042 121.223 -0.039 0.000 2.593 5011 L HA -0.073 4.269 4.340 0.002 0.000 0.287 5011 L C 0.821 177.675 176.870 -0.027 0.000 1.243 5011 L CA 0.995 55.812 54.840 -0.038 0.000 0.890 5011 L CB 0.105 42.139 42.059 -0.042 0.000 1.134 5011 L HN 0.824 nan 8.230 nan 0.000 0.502 5012 Q N 3.175 122.960 119.800 -0.024 0.000 2.651 5012 Q HA -0.031 4.311 4.340 0.002 0.000 0.224 5012 Q C 0.695 176.688 176.000 -0.011 0.000 1.094 5012 Q CA 0.146 55.940 55.803 -0.015 0.000 1.018 5012 Q CB 0.608 29.338 28.738 -0.014 0.000 1.292 5012 Q HN 0.698 nan 8.270 nan 0.000 0.588 5013 Q N 0.396 120.192 119.800 -0.006 0.000 2.281 5013 Q HA 0.098 4.439 4.340 0.002 0.000 0.215 5013 Q C 1.045 177.044 176.000 -0.001 0.000 0.867 5013 Q CA 0.583 56.384 55.803 -0.004 0.000 0.940 5013 Q CB 0.343 29.079 28.738 -0.004 0.000 1.111 5013 Q HN 0.600 nan 8.270 nan 0.000 0.513 5014 S N 2.129 117.831 115.700 0.002 0.000 2.356 5014 S HA -0.046 4.426 4.470 0.002 0.000 0.223 5014 S C 0.963 175.567 174.600 0.006 0.000 1.032 5014 S CA 1.119 59.323 58.200 0.007 0.000 1.005 5014 S CB -0.097 63.109 63.200 0.011 0.000 0.867 5014 S HN 0.669 nan 8.310 nan 0.000 0.449 5015 S N 1.970 117.672 115.700 0.003 0.000 2.411 5015 S HA 0.572 5.043 4.470 0.002 0.000 0.304 5015 S C -0.533 174.067 174.600 0.001 0.000 1.098 5015 S CA -0.701 57.501 58.200 0.003 0.000 1.068 5015 S CB 0.715 63.916 63.200 0.002 0.000 1.032 5015 S HN 0.348 nan 8.310 nan 0.000 0.511 5016 Q N 2.298 122.098 119.800 0.001 0.000 2.605 5016 Q HA 0.528 4.869 4.340 0.002 0.000 0.296 5016 Q C -0.751 175.247 176.000 -0.003 0.000 1.056 5016 Q CA -1.157 54.645 55.803 -0.002 0.000 0.778 5016 Q CB 1.408 30.143 28.738 -0.005 0.000 1.497 5016 Q HN 0.675 nan 8.270 nan 0.000 0.443 5017 N N -0.116 118.580 118.700 -0.007 0.000 2.525 5017 N HA 0.383 5.124 4.740 0.002 0.000 0.288 5017 N C -0.398 175.096 175.510 -0.027 0.000 1.242 5017 N CA -0.256 52.787 53.050 -0.012 0.000 0.905 5017 N CB 1.824 40.306 38.487 -0.007 0.000 1.258 5017 N HN 0.501 nan 8.380 nan 0.000 0.551 5018 Q N -0.433 119.341 119.800 -0.042 0.000 1.734 5018 Q HA 0.163 4.504 4.340 0.002 0.000 0.147 5018 Q C 0.848 176.773 176.000 -0.126 0.000 0.447 5018 Q CA -0.178 55.578 55.803 -0.078 0.000 0.734 5018 Q CB 0.177 28.867 28.738 -0.080 0.000 0.855 5018 Q HN 0.449 nan 8.270 nan 0.000 0.259 5019 V N -0.580 119.232 119.914 -0.171 0.000 3.271 5019 V HA 0.289 4.410 4.120 0.002 0.000 0.327 5019 V C -0.006 176.026 176.094 -0.103 0.000 1.389 5019 V CA 0.871 63.021 62.300 -0.250 0.000 1.156 5019 V CB -0.052 31.423 31.823 -0.579 0.000 1.103 5019 V HN 0.590 nan 8.190 nan 0.000 0.453 5020 D N -1.198 119.173 120.400 -0.049 0.000 2.433 5020 D HA 0.117 4.758 4.640 0.002 0.000 0.211 5020 D C 1.624 177.928 176.300 0.007 0.000 1.114 5020 D CA 0.757 54.756 54.000 -0.002 0.000 0.837 5020 D CB 0.606 41.413 40.800 0.011 0.000 0.984 5020 D HN 0.276 nan 8.370 nan 0.000 0.505 5021 S N -0.495 115.202 115.700 -0.006 0.000 2.348 5021 S HA 0.049 4.521 4.470 0.002 0.000 0.219 5021 S C 0.791 175.399 174.600 0.013 0.000 1.033 5021 S CA 0.260 58.463 58.200 0.005 0.000 0.974 5021 S CB -0.044 63.154 63.200 -0.002 0.000 0.868 5021 S HN 0.202 nan 8.310 nan 0.000 0.459 5022 S N 2.204 117.909 115.700 0.009 0.000 2.410 5022 S HA 0.205 4.676 4.470 0.002 0.000 0.304 5022 S C 1.155 175.776 174.600 0.036 0.000 1.095 5022 S CA -0.450 57.764 58.200 0.022 0.000 1.089 5022 S CB 1.350 64.563 63.200 0.021 0.000 0.968 5022 S HN 0.540 nan 8.310 nan 0.000 0.480 5023 S N 2.996 118.722 115.700 0.042 0.000 2.462 5023 S HA -0.214 4.257 4.470 0.002 0.000 0.251 5023 S C 1.301 175.947 174.600 0.078 0.000 1.018 5023 S CA 0.944 59.177 58.200 0.055 0.000 0.988 5023 S CB -0.595 62.633 63.200 0.046 0.000 0.766 5023 S HN 0.656 nan 8.310 nan 0.000 0.504 5024 I N 0.176 120.795 120.570 0.082 0.000 3.252 5024 I HA 0.444 4.615 4.170 0.002 0.000 0.151 5024 I C 0.282 176.532 176.117 0.220 0.000 1.031 5024 I CA 0.759 62.132 61.300 0.120 0.000 1.364 5024 I CB -0.011 38.048 38.000 0.099 0.000 1.211 5024 I HN 0.398 nan 8.210 nan 0.000 0.436 5025 F N -0.597 119.363 119.950 0.017 0.000 2.765 5025 F HA 0.257 4.785 4.527 0.002 0.000 0.313 5025 F C -0.643 175.167 175.800 0.017 0.000 1.136 5025 F CA -0.571 57.439 58.000 0.017 0.000 0.952 5025 F CB 0.192 39.200 39.000 0.015 0.000 1.268 5025 F HN 0.482 nan 8.300 nan 0.000 0.441 5026 N N 1.197 119.468 118.700 -0.715 0.000 2.448 5026 N HA 0.339 5.081 4.740 0.002 0.000 0.203 5026 N C -1.885 173.299 175.510 -0.543 0.000 1.794 5026 N CA -0.591 52.246 53.050 -0.354 0.000 1.445 5026 N CB 0.660 39.042 38.487 -0.175 0.000 1.055 5026 N HN 0.546 nan 8.380 nan 0.000 0.859 5027 E N 0.009 120.182 120.200 -0.044 0.000 2.956 5027 E HA 0.269 4.621 4.350 0.002 0.000 0.353 5027 E C -1.194 175.392 176.600 -0.023 0.000 1.131 5027 E CA -0.053 56.327 56.400 -0.033 0.000 0.851 5027 E CB 0.749 30.433 29.700 -0.026 0.000 1.500 5027 E HN 0.212 nan 8.360 nan 0.000 0.384 5028 M N 0.730 120.317 119.600 -0.021 0.000 2.278 5028 M HA 0.531 5.012 4.480 0.002 0.000 0.227 5028 M C 0.485 176.779 176.300 -0.010 0.000 1.138 5028 M CA -0.209 55.082 55.300 -0.014 0.000 1.014 5028 M CB 0.808 33.401 32.600 -0.011 0.000 1.289 5028 M HN 0.300 nan 8.290 nan 0.000 0.567 5029 S N -1.982 113.713 115.700 -0.007 0.000 2.663 5029 S HA 0.475 4.946 4.470 0.002 0.000 0.264 5029 S C -1.557 173.039 174.600 -0.006 0.000 1.112 5029 S CA -1.329 56.867 58.200 -0.005 0.000 0.823 5029 S CB 0.488 63.682 63.200 -0.009 0.000 1.111 5029 S HN 0.567 nan 8.310 nan 0.000 0.476 5030 N N 0.733 119.427 118.700 -0.010 0.000 2.483 5030 N HA 0.528 5.269 4.740 0.002 0.000 0.269 5030 N C -0.797 174.697 175.510 -0.027 0.000 1.209 5030 N CA -0.265 52.774 53.050 -0.018 0.000 0.969 5030 N CB 1.018 39.485 38.487 -0.032 0.000 1.173 5030 N HN 0.628 nan 8.380 nan 0.000 0.475 5031 K N 0.382 120.765 120.400 -0.028 0.000 2.413 5031 K HA 0.469 4.790 4.320 0.002 0.000 0.257 5031 K C 0.489 177.066 176.600 -0.038 0.000 0.946 5031 K CA -0.301 55.968 56.287 -0.029 0.000 0.823 5031 K CB 0.808 33.296 32.500 -0.020 0.000 1.109 5031 K HN 0.686 nan 8.250 nan 0.000 0.427 5032 G N 3.780 112.554 108.800 -0.044 0.000 2.568 5032 G HA2 -0.374 3.588 3.960 0.002 0.000 0.334 5032 G HA3 -0.374 3.588 3.960 0.002 0.000 0.334 5032 G C -0.118 174.741 174.900 -0.067 0.000 1.348 5032 G CA 0.590 45.660 45.100 -0.050 0.000 0.949 5032 G HN 0.737 nan 8.290 nan 0.000 0.532 5033 K N 0.640 121.003 120.400 -0.061 0.000 2.797 5033 K HA 0.105 4.426 4.320 0.002 0.000 0.307 5033 K C 0.531 177.096 176.600 -0.058 0.000 1.072 5033 K CA 0.646 56.891 56.287 -0.071 0.000 0.981 5033 K CB -0.726 31.745 32.500 -0.048 0.000 1.078 5033 K HN 0.443 nan 8.250 nan 0.000 0.459 5034 D N 1.224 121.601 120.400 -0.037 0.000 2.941 5034 D HA 0.012 4.653 4.640 0.002 0.000 0.236 5034 D C -0.299 175.999 176.300 -0.004 0.000 1.147 5034 D CA 0.422 54.416 54.000 -0.010 0.000 0.975 5034 D CB -0.486 40.322 40.800 0.015 0.000 1.162 5034 D HN 0.231 nan 8.370 nan 0.000 0.444 5035 Q N 0.731 120.524 119.800 -0.012 0.000 2.819 5035 Q HA 0.384 4.725 4.340 0.002 0.000 0.392 5035 Q C 0.814 176.812 176.000 -0.003 0.000 1.088 5035 Q CA -0.619 55.179 55.803 -0.007 0.000 1.062 5035 Q CB 0.868 29.599 28.738 -0.012 0.000 1.369 5035 Q HN 0.426 nan 8.270 nan 0.000 0.434 5036 G N -0.235 108.567 108.800 0.005 0.000 2.750 5036 G HA2 -0.247 3.714 3.960 0.002 0.000 0.228 5036 G HA3 -0.247 3.714 3.960 0.002 0.000 0.228 5036 G C -0.638 174.265 174.900 0.005 0.000 1.367 5036 G CA -0.741 44.365 45.100 0.009 0.000 0.871 5036 G HN 0.261 nan 8.290 nan 0.000 0.560 5037 V N 0.168 120.086 119.914 0.007 0.000 2.349 5037 V HA 0.499 4.620 4.120 0.002 0.000 0.284 5037 V C 0.638 176.730 176.094 -0.002 0.000 1.014 5037 V CA -0.655 61.647 62.300 0.004 0.000 0.826 5037 V CB 1.348 33.177 31.823 0.011 0.000 1.009 5037 V HN 0.844 nan 8.190 nan 0.000 0.431 5038 V N 5.903 125.813 119.914 -0.007 0.000 2.488 5038 V HA 0.249 4.370 4.120 0.002 0.000 0.277 5038 V C 0.318 176.405 176.094 -0.011 0.000 1.046 5038 V CA -0.009 62.285 62.300 -0.010 0.000 0.986 5038 V CB 1.811 33.626 31.823 -0.013 0.000 0.989 5038 V HN 0.653 nan 8.190 nan 0.000 0.475 5039 V N 7.685 127.592 119.914 -0.012 0.000 2.607 5039 V HA 0.447 4.568 4.120 0.002 0.000 0.289 5039 V C 0.373 176.459 176.094 -0.013 0.000 1.053 5039 V CA -0.272 62.021 62.300 -0.013 0.000 0.996 5039 V CB 1.403 33.218 31.823 -0.013 0.000 0.995 5039 V HN 0.973 nan 8.190 nan 0.000 0.476 5040 N N 3.771 122.463 118.700 -0.014 0.000 2.752 5040 N HA 0.292 5.033 4.740 0.002 0.000 0.316 5040 N C -0.336 175.167 175.510 -0.012 0.000 1.343 5040 N CA -0.732 52.310 53.050 -0.013 0.000 0.875 5040 N CB -0.002 38.478 38.487 -0.012 0.000 1.120 5040 N HN 0.687 nan 8.380 nan 0.000 0.562 5041 N N 1.742 120.436 118.700 -0.011 0.000 2.291 5041 N HA -0.047 4.695 4.740 0.002 0.000 0.281 5041 N C 0.043 175.547 175.510 -0.010 0.000 1.388 5041 N CA 0.224 53.268 53.050 -0.009 0.000 0.920 5041 N CB -0.228 38.254 38.487 -0.008 0.000 1.276 5041 N HN 0.272 nan 8.380 nan 0.000 0.493 5042 V N 0.536 120.444 119.914 -0.009 0.000 3.185 5042 V HA 0.306 4.427 4.120 0.002 0.000 0.305 5042 V C 0.973 177.064 176.094 -0.005 0.000 1.090 5042 V CA -0.344 61.951 62.300 -0.009 0.000 1.107 5042 V CB 1.029 32.848 31.823 -0.007 0.000 1.061 5042 V HN 0.297 nan 8.190 nan 0.000 0.480 5043 K N 1.147 121.546 120.400 -0.003 0.000 2.642 5043 K HA 0.510 4.831 4.320 0.002 0.000 0.273 5043 K C 1.268 177.874 176.600 0.009 0.000 1.029 5043 K CA -0.007 56.283 56.287 0.004 0.000 1.071 5043 K CB 0.596 33.100 32.500 0.006 0.000 1.451 5043 K HN 0.830 nan 8.250 nan 0.000 0.559 5044 T N -0.227 114.337 114.554 0.015 0.000 3.010 5044 T HA 0.011 4.363 4.350 0.002 0.000 0.252 5044 T C 1.653 176.367 174.700 0.024 0.000 1.047 5044 T CA 1.015 63.127 62.100 0.018 0.000 1.140 5044 T CB -0.205 68.675 68.868 0.020 0.000 0.885 5044 T HN 0.700 nan 8.240 nan 0.000 0.464 5045 G N 1.945 110.764 108.800 0.032 0.000 2.448 5045 G HA2 -0.150 3.811 3.960 0.002 0.000 0.219 5045 G HA3 -0.150 3.811 3.960 0.002 0.000 0.219 5045 G C 1.059 175.982 174.900 0.037 0.000 1.127 5045 G CA 1.637 46.762 45.100 0.042 0.000 0.766 5045 G HN 0.700 nan 8.290 nan 0.000 0.552 5046 T N -2.689 111.882 114.554 0.028 0.000 3.996 5046 T HA -0.193 4.158 4.350 0.002 0.000 0.348 5046 T C -0.740 173.976 174.700 0.027 0.000 0.757 5046 T CA 1.118 63.231 62.100 0.021 0.000 1.898 5046 T CB -2.252 66.627 68.868 0.017 0.000 1.861 5046 T HN 0.423 nan 8.240 nan 0.000 0.821 5047 P HA 0.151 nan 4.420 nan 0.000 0.218 5047 P C 1.752 179.071 177.300 0.032 0.000 1.149 5047 P CA 1.446 64.577 63.100 0.051 0.000 0.817 5047 P CB -0.255 31.499 31.700 0.089 0.000 0.785 5048 A N -0.657 122.171 122.820 0.013 0.000 2.044 5048 A HA 0.279 4.600 4.320 0.002 0.000 0.213 5048 A C 2.166 179.752 177.584 0.003 0.000 1.169 5048 A CA 1.075 53.113 52.037 0.003 0.000 0.724 5048 A CB -1.168 17.822 19.000 -0.016 0.000 0.840 5048 A HN 0.139 nan 8.150 nan 0.000 0.463 5049 A N -0.467 122.355 122.820 0.004 0.000 1.929 5049 A HA -0.138 4.183 4.320 0.002 0.000 0.216 5049 A C 1.988 179.576 177.584 0.006 0.000 1.176 5049 A CA 1.414 53.452 52.037 0.002 0.000 0.628 5049 A CB -0.510 18.491 19.000 0.002 0.000 0.816 5049 A HN 0.558 nan 8.150 nan 0.000 0.444 5050 Q N -1.463 118.345 119.800 0.012 0.000 2.368 5050 Q HA -0.105 4.236 4.340 0.002 0.000 0.210 5050 Q C 0.867 176.876 176.000 0.015 0.000 0.982 5050 Q CA 0.828 56.640 55.803 0.015 0.000 0.884 5050 Q CB -0.140 28.611 28.738 0.022 0.000 0.933 5050 Q HN 0.604 nan 8.270 nan 0.000 0.460 5051 I N -0.542 120.036 120.570 0.014 0.000 3.858 5051 I HA 0.157 4.328 4.170 0.002 0.000 0.325 5051 I C 0.631 176.752 176.117 0.008 0.000 1.403 5051 I CA 0.479 61.788 61.300 0.015 0.000 1.169 5051 I CB 0.040 38.051 38.000 0.019 0.000 1.077 5051 I HN 0.206 nan 8.210 nan 0.000 0.403 5052 G N 0.969 109.771 108.800 0.003 0.000 2.160 5052 G HA2 -0.221 3.741 3.960 0.002 0.000 0.244 5052 G HA3 -0.221 3.741 3.960 0.002 0.000 0.244 5052 G C -0.251 174.641 174.900 -0.013 0.000 1.022 5052 G CA -0.006 45.090 45.100 -0.006 0.000 0.741 5052 G HN 0.208 nan 8.290 nan 0.000 0.508 5053 L N 0.516 121.734 121.223 -0.009 0.000 2.294 5053 L HA 0.566 4.907 4.340 0.002 0.000 0.283 5053 L C 0.806 177.668 176.870 -0.012 0.000 1.015 5053 L CA -0.503 54.329 54.840 -0.013 0.000 0.831 5053 L CB 1.392 43.446 42.059 -0.010 0.000 1.217 5053 L HN 0.291 nan 8.230 nan 0.000 0.420 5054 K N 2.040 122.430 120.400 -0.016 0.000 3.015 5054 K HA 0.236 4.558 4.320 0.002 0.000 0.340 5054 K C 0.883 177.475 176.600 -0.013 0.000 1.002 5054 K CA -0.010 56.268 56.287 -0.014 0.000 1.190 5054 K CB 0.533 33.023 32.500 -0.017 0.000 1.241 5054 K HN 0.454 nan 8.250 nan 0.000 0.507 5055 K N -1.003 119.389 120.400 -0.013 0.000 2.262 5055 K HA 0.096 4.418 4.320 0.002 0.000 0.200 5055 K C 0.504 177.096 176.600 -0.014 0.000 1.049 5055 K CA 0.747 57.027 56.287 -0.012 0.000 0.979 5055 K CB 0.595 33.089 32.500 -0.011 0.000 0.773 5055 K HN 0.552 nan 8.250 nan 0.000 0.474 5056 G N 2.093 110.884 108.800 -0.015 0.000 4.713 5056 G HA2 0.165 4.126 3.960 0.002 0.000 0.318 5056 G HA3 0.165 4.126 3.960 0.002 0.000 0.318 5056 G C -1.616 173.273 174.900 -0.018 0.000 1.435 5056 G CA -0.463 44.627 45.100 -0.016 0.000 0.965 5056 G HN -0.030 nan 8.290 nan 0.000 0.542 5057 D N 1.007 121.396 120.400 -0.019 0.000 2.414 5057 D HA 0.429 5.070 4.640 0.002 0.000 0.232 5057 D C 0.560 176.849 176.300 -0.018 0.000 1.070 5057 D CA -0.268 53.719 54.000 -0.022 0.000 0.839 5057 D CB 2.390 43.175 40.800 -0.024 0.000 1.079 5057 D HN 0.095 nan 8.370 nan 0.000 0.521 5058 V N 2.258 122.161 119.914 -0.018 0.000 3.214 5058 V HA 0.407 4.528 4.120 0.002 0.000 0.306 5058 V C 0.643 176.733 176.094 -0.007 0.000 1.078 5058 V CA -0.582 61.712 62.300 -0.011 0.000 1.077 5058 V CB 0.996 32.813 31.823 -0.010 0.000 1.121 5058 V HN 0.486 nan 8.190 nan 0.000 0.468 5059 I N 2.621 123.193 120.570 0.003 0.000 2.719 5059 I HA 0.246 4.418 4.170 0.002 0.000 0.275 5059 I C 0.164 176.294 176.117 0.022 0.000 1.228 5059 I CA -0.180 61.128 61.300 0.013 0.000 1.035 5059 I CB 1.286 39.295 38.000 0.015 0.000 1.286 5059 I HN 0.462 nan 8.210 nan 0.000 0.531 5060 I N 1.902 122.487 120.570 0.026 0.000 3.419 5060 I HA 0.134 4.305 4.170 0.002 0.000 0.286 5060 I C 1.450 177.592 176.117 0.042 0.000 1.268 5060 I CA 0.627 61.945 61.300 0.030 0.000 1.414 5060 I CB -0.700 37.316 38.000 0.028 0.000 1.074 5060 I HN 0.428 nan 8.210 nan 0.000 0.457 5061 G N 1.528 110.362 108.800 0.056 0.000 2.350 5061 G HA2 0.465 4.427 3.960 0.002 0.000 0.306 5061 G HA3 0.465 4.427 3.960 0.002 0.000 0.306 5061 G C 0.457 175.390 174.900 0.056 0.000 1.094 5061 G CA -0.251 44.890 45.100 0.068 0.000 0.953 5061 G HN 0.281 nan 8.290 nan 0.000 0.420 5062 A N 3.481 126.326 122.820 0.042 0.000 3.004 5062 A HA 0.265 4.586 4.320 0.002 0.000 0.252 5062 A C 1.409 179.013 177.584 0.033 0.000 1.802 5062 A CA 0.274 52.331 52.037 0.034 0.000 1.424 5062 A CB -1.032 17.984 19.000 0.027 0.000 1.005 5062 A HN 1.397 nan 8.150 nan 0.000 0.631 5063 N N -0.228 118.498 118.700 0.043 0.000 2.815 5063 N HA -0.339 4.403 4.740 0.002 0.000 0.247 5063 N C 0.888 176.411 175.510 0.023 0.000 1.030 5063 N CA 2.774 55.848 53.050 0.040 0.000 0.881 5063 N CB -0.686 37.819 38.487 0.030 0.000 1.134 5063 N HN 0.915 nan 8.380 nan 0.000 0.582 5064 Q N -5.437 114.376 119.800 0.021 0.000 7.202 5064 Q HA -0.054 4.287 4.340 0.002 0.000 0.338 5064 Q C -0.012 175.993 176.000 0.009 0.000 0.933 5064 Q CA -0.159 55.645 55.803 0.001 0.000 0.563 5064 Q CB -0.383 28.350 28.738 -0.008 0.000 0.472 5064 Q HN 0.403 nan 8.270 nan 0.000 0.823 5065 Q N 0.960 120.770 119.800 0.017 0.000 2.665 5065 Q HA 0.785 5.127 4.340 0.002 0.000 0.176 5065 Q C -0.580 175.435 176.000 0.026 0.000 1.025 5065 Q CA 0.025 55.839 55.803 0.018 0.000 0.953 5065 Q CB 1.404 30.151 28.738 0.015 0.000 2.143 5065 Q HN 0.359 nan 8.270 nan 0.000 0.464 5066 A N 0.608 123.442 122.820 0.024 0.000 2.320 5066 A HA 0.415 4.736 4.320 0.002 0.000 0.287 5066 A C -0.636 176.965 177.584 0.029 0.000 1.181 5066 A CA -0.268 51.784 52.037 0.026 0.000 0.831 5066 A CB 0.339 19.353 19.000 0.023 0.000 1.102 5066 A HN 0.318 nan 8.150 nan 0.000 0.513 5067 V N 5.355 125.287 119.914 0.031 0.000 2.320 5067 V HA 0.091 4.212 4.120 0.002 0.000 0.257 5067 V C 1.217 177.329 176.094 0.031 0.000 0.996 5067 V CA -0.353 61.966 62.300 0.032 0.000 0.928 5067 V CB 0.448 32.290 31.823 0.031 0.000 1.169 5067 V HN 1.110 nan 8.190 nan 0.000 0.475 5068 K N 1.451 121.872 120.400 0.035 0.000 2.365 5068 K HA -0.001 4.320 4.320 0.002 0.000 0.199 5068 K C 0.378 177.002 176.600 0.040 0.000 1.045 5068 K CA 0.921 57.228 56.287 0.033 0.000 0.962 5068 K CB 0.101 32.624 32.500 0.038 0.000 0.759 5068 K HN 0.696 nan 8.250 nan 0.000 0.469 5069 N N -1.068 117.663 118.700 0.052 0.000 2.961 5069 N HA 0.154 4.895 4.740 0.002 0.000 0.245 5069 N C 0.215 175.760 175.510 0.058 0.000 1.404 5069 N CA -0.830 52.259 53.050 0.064 0.000 0.880 5069 N CB 0.172 38.733 38.487 0.123 0.000 1.461 5069 N HN -0.124 nan 8.380 nan 0.000 0.510 5070 I N -0.231 120.373 120.570 0.056 0.000 2.423 5070 I HA -0.206 3.965 4.170 0.002 0.000 0.254 5070 I C 2.202 178.345 176.117 0.043 0.000 1.151 5070 I CA 1.648 62.974 61.300 0.043 0.000 1.421 5070 I CB -0.572 37.450 38.000 0.037 0.000 1.079 5070 I HN 0.754 nan 8.210 nan 0.000 0.431 5071 A N 0.725 123.578 122.820 0.054 0.000 1.855 5071 A HA -0.200 4.121 4.320 0.002 0.000 0.215 5071 A C 2.281 179.882 177.584 0.029 0.000 1.191 5071 A CA 1.547 53.603 52.037 0.031 0.000 0.613 5071 A CB -0.506 18.500 19.000 0.009 0.000 0.829 5071 A HN 0.397 nan 8.150 nan 0.000 0.442 5072 E N -0.387 119.835 120.200 0.036 0.000 2.017 5072 E HA -0.166 4.185 4.350 0.002 0.000 0.193 5072 E C 2.081 178.698 176.600 0.029 0.000 0.997 5072 E CA 1.031 57.450 56.400 0.031 0.000 0.804 5072 E CB -0.312 29.410 29.700 0.036 0.000 0.757 5072 E HN 0.489 nan 8.360 nan 0.000 0.448 5073 L N 1.603 122.845 121.223 0.032 0.000 1.978 5073 L HA -0.274 4.067 4.340 0.002 0.000 0.218 5073 L C 2.398 179.284 176.870 0.027 0.000 1.075 5073 L CA 2.020 56.877 54.840 0.028 0.000 0.767 5073 L CB -0.641 41.434 42.059 0.027 0.000 0.890 5073 L HN 0.099 nan 8.230 nan 0.000 0.434 5074 R N 0.033 120.550 120.500 0.027 0.000 2.193 5074 R HA -0.226 4.115 4.340 0.002 0.000 0.229 5074 R C 2.272 178.589 176.300 0.028 0.000 1.110 5074 R CA 1.578 57.695 56.100 0.027 0.000 0.988 5074 R CB -0.078 30.239 30.300 0.028 0.000 0.871 5074 R HN 0.363 nan 8.270 nan 0.000 0.458 5075 K N -0.573 119.843 120.400 0.027 0.000 2.288 5075 K HA -0.030 4.291 4.320 0.002 0.000 0.201 5075 K C 1.325 177.938 176.600 0.021 0.000 1.048 5075 K CA 0.964 57.265 56.287 0.024 0.000 0.956 5075 K CB 0.393 32.905 32.500 0.021 0.000 0.746 5075 K HN 0.050 nan 8.250 nan 0.000 0.461 5076 V N 0.490 120.417 119.914 0.022 0.000 2.795 5076 V HA -0.002 4.119 4.120 0.002 0.000 0.243 5076 V C 1.563 177.670 176.094 0.021 0.000 1.069 5076 V CA 0.628 62.940 62.300 0.020 0.000 1.089 5076 V CB -0.133 31.703 31.823 0.021 0.000 0.756 5076 V HN 0.216 nan 8.190 nan 0.000 0.471 5077 L N 0.950 122.188 121.223 0.024 0.000 2.737 5077 L HA 0.043 4.384 4.340 0.002 0.000 0.246 5077 L C 1.471 178.357 176.870 0.026 0.000 1.153 5077 L CA 1.087 55.942 54.840 0.026 0.000 0.920 5077 L CB -0.499 41.576 42.059 0.027 0.000 1.090 5077 L HN 0.443 nan 8.230 nan 0.000 0.430 5078 D N -1.430 118.985 120.400 0.024 0.000 2.415 5078 D HA -0.074 4.567 4.640 0.002 0.000 0.269 5078 D C 2.012 178.323 176.300 0.018 0.000 1.099 5078 D CA 0.862 54.876 54.000 0.023 0.000 0.865 5078 D CB 0.417 41.232 40.800 0.025 0.000 1.359 5078 D HN 0.092 nan 8.370 nan 0.000 0.506 5079 S N 0.022 115.731 115.700 0.016 0.000 2.387 5079 S HA -0.036 4.435 4.470 0.002 0.000 0.221 5079 S C 0.994 175.601 174.600 0.012 0.000 1.041 5079 S CA 0.197 58.404 58.200 0.012 0.000 0.959 5079 S CB -0.470 62.737 63.200 0.011 0.000 0.843 5079 S HN 0.276 nan 8.310 nan 0.000 0.488 5080 K N 1.537 121.945 120.400 0.014 0.000 2.533 5080 K HA 0.509 4.831 4.320 0.002 0.000 0.207 5080 K C -2.846 173.763 176.600 0.016 0.000 1.052 5080 K CA -1.660 54.635 56.287 0.013 0.000 1.030 5080 K CB 1.114 33.621 32.500 0.011 0.000 1.522 5080 K HN 0.070 nan 8.250 nan 0.000 0.543 5081 P HA -0.087 nan 4.420 nan 0.000 0.252 5081 P C 0.447 177.759 177.300 0.018 0.000 1.265 5081 P CA 0.369 63.481 63.100 0.020 0.000 0.775 5081 P CB 0.349 32.062 31.700 0.021 0.000 1.128 5082 S N -1.735 113.974 115.700 0.015 0.000 2.288 5082 S HA 0.034 4.505 4.470 0.002 0.000 0.191 5082 S C 0.771 175.380 174.600 0.015 0.000 1.028 5082 S CA 0.373 58.581 58.200 0.013 0.000 1.030 5082 S CB -0.868 62.338 63.200 0.010 0.000 0.932 5082 S HN -0.110 nan 8.310 nan 0.000 0.463 5083 V N 2.674 122.595 119.914 0.013 0.000 2.427 5083 V HA 0.667 4.788 4.120 0.002 0.000 0.286 5083 V C -0.768 175.336 176.094 0.017 0.000 1.034 5083 V CA -0.613 61.696 62.300 0.014 0.000 0.893 5083 V CB 1.011 32.839 31.823 0.008 0.000 0.982 5083 V HN 0.568 nan 8.190 nan 0.000 0.452 5084 L N 5.143 126.380 121.223 0.023 0.000 2.404 5084 L HA 0.879 5.221 4.340 0.002 0.000 0.272 5084 L C -0.186 176.706 176.870 0.037 0.000 0.980 5084 L CA -0.340 54.517 54.840 0.029 0.000 0.836 5084 L CB 1.505 43.582 42.059 0.031 0.000 1.238 5084 L HN 0.706 nan 8.230 nan 0.000 0.408 5085 A N 5.989 128.835 122.820 0.044 0.000 2.409 5085 A HA 0.619 4.940 4.320 0.002 0.000 0.300 5085 A C -1.256 176.385 177.584 0.095 0.000 1.273 5085 A CA -0.517 51.562 52.037 0.071 0.000 0.774 5085 A CB 0.525 19.560 19.000 0.057 0.000 1.144 5085 A HN 0.516 nan 8.150 nan 0.000 0.472 5086 L N 2.812 124.091 121.223 0.094 0.000 2.433 5086 L HA 0.116 4.457 4.340 0.002 0.000 0.284 5086 L C -0.112 176.836 176.870 0.130 0.000 1.120 5086 L CA 0.078 54.970 54.840 0.087 0.000 0.879 5086 L CB -0.814 41.276 42.059 0.050 0.000 1.232 5086 L HN 0.609 nan 8.230 nan 0.000 0.454 5087 N N 4.399 123.204 118.700 0.175 0.000 2.950 5087 N HA 0.083 4.824 4.740 0.002 0.000 0.313 5087 N C 0.325 175.881 175.510 0.077 0.000 1.213 5087 N CA 0.088 53.293 53.050 0.258 0.000 1.184 5087 N CB -0.415 38.227 38.487 0.258 0.000 1.454 5087 N HN 0.618 nan 8.380 nan 0.000 0.532 5088 I N -1.626 118.937 120.570 -0.012 0.000 2.499 5088 I HA 0.377 4.548 4.170 0.002 0.000 0.296 5088 I C -0.452 175.603 176.117 -0.103 0.000 0.992 5088 I CA -0.801 60.473 61.300 -0.043 0.000 1.297 5088 I CB 1.336 39.314 38.000 -0.037 0.000 1.410 5088 I HN 0.115 nan 8.210 nan 0.000 0.507 5089 Q N 6.481 126.241 119.800 -0.067 0.000 2.589 5089 Q HA 0.266 4.607 4.340 0.002 0.000 0.245 5089 Q C -1.066 174.906 176.000 -0.047 0.000 0.931 5089 Q CA -0.672 55.086 55.803 -0.075 0.000 0.730 5089 Q CB 0.898 29.601 28.738 -0.058 0.000 1.315 5089 Q HN 0.980 nan 8.270 nan 0.000 0.469 5090 R N 0.903 121.374 120.500 -0.049 0.000 4.902 5090 R HA 0.430 4.771 4.340 0.002 0.000 0.201 5090 R C 0.627 176.909 176.300 -0.030 0.000 2.020 5090 R CA 0.565 56.644 56.100 -0.035 0.000 1.674 5090 R CB -0.637 29.643 30.300 -0.034 0.000 1.349 5090 R HN 0.881 nan 8.270 nan 0.000 0.813 5091 G N 0.782 109.566 108.800 -0.027 0.000 3.922 5091 G HA2 -0.301 3.661 3.960 0.002 0.000 0.208 5091 G HA3 -0.301 3.661 3.960 0.002 0.000 0.208 5091 G C 0.343 175.229 174.900 -0.023 0.000 1.491 5091 G CA 0.321 45.408 45.100 -0.022 0.000 1.017 5091 G HN 0.474 nan 8.290 nan 0.000 0.603 5092 D N 0.696 121.079 120.400 -0.029 0.000 3.161 5092 D HA 0.193 4.834 4.640 0.002 0.000 0.287 5092 D C 1.685 177.959 176.300 -0.043 0.000 1.343 5092 D CA 1.006 54.989 54.000 -0.029 0.000 1.070 5092 D CB -0.549 40.237 40.800 -0.023 0.000 1.188 5092 D HN 0.797 nan 8.370 nan 0.000 0.409 5093 S N 1.072 116.741 115.700 -0.051 0.000 2.673 5093 S HA 0.071 4.543 4.470 0.002 0.000 0.308 5093 S C 0.092 174.623 174.600 -0.115 0.000 1.246 5093 S CA 0.065 58.221 58.200 -0.075 0.000 1.077 5093 S CB 0.178 63.337 63.200 -0.069 0.000 0.814 5093 S HN 0.051 nan 8.310 nan 0.000 0.503 5094 T N 5.461 119.917 114.554 -0.163 0.000 3.331 5094 T HA 0.403 4.754 4.350 0.002 0.000 0.381 5094 T C 0.465 174.828 174.700 -0.562 0.000 1.656 5094 T CA -0.634 61.301 62.100 -0.276 0.000 1.453 5094 T CB -0.690 68.075 68.868 -0.172 0.000 1.066 5094 T HN 0.734 nan 8.240 nan 0.000 0.655 5095 I N -1.270 118.995 120.570 -0.508 0.000 3.078 5095 I HA 0.670 4.841 4.170 0.002 0.000 0.318 5095 I C -1.041 174.608 176.117 -0.779 0.000 1.016 5095 I CA -1.377 59.592 61.300 -0.551 0.000 1.130 5095 I CB 1.007 38.877 38.000 -0.217 0.000 1.397 5095 I HN 0.220 nan 8.210 nan 0.000 0.570 5096 Y N 2.940 123.243 120.300 0.005 0.000 2.609 5096 Y HA 0.474 5.025 4.550 0.002 0.000 0.350 5096 Y C -0.518 175.386 175.900 0.006 0.000 1.050 5096 Y CA -0.831 57.272 58.100 0.005 0.000 1.290 5096 Y CB 0.648 39.111 38.460 0.005 0.000 1.094 5096 Y HN 0.253 nan 8.280 nan 0.000 0.583 5097 L N 2.784 124.062 121.223 0.092 0.000 2.454 5097 L HA 0.472 4.813 4.340 0.002 0.000 0.256 5097 L C 0.484 177.396 176.870 0.070 0.000 1.136 5097 L CA -0.722 54.157 54.840 0.064 0.000 0.804 5097 L CB 0.795 42.872 42.059 0.029 0.000 1.181 5097 L HN 0.517 nan 8.230 nan 0.000 0.469 5098 L N 0.000 121.254 121.223 0.052 0.000 2.949 5098 L HA 0.000 4.341 4.340 0.002 0.000 0.249 5098 L CA 0.000 54.867 54.840 0.045 0.000 0.813 5098 L CB 0.000 42.082 42.059 0.038 0.000 0.961 5098 L HN 0.000 nan 8.230 nan 0.000 0.502