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_C DATA FIRST_RESID 793 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 793 Q HA 0.000 nan 4.340 nan 0.000 0.214 793 Q C 0.000 175.996 176.000 -0.006 0.000 1.003 793 Q CA 0.000 55.800 55.803 -0.004 0.000 1.022 793 Q CB 0.000 28.735 28.738 -0.004 0.000 1.108 794 M N 0.953 120.548 119.600 -0.008 0.000 2.472 794 M HA 0.825 5.302 4.480 -0.005 0.000 0.331 794 M C -2.103 174.188 176.300 -0.015 0.000 1.170 794 M CA -1.839 53.454 55.300 -0.011 0.000 1.009 794 M CB 0.276 32.870 32.600 -0.010 0.000 1.672 794 M HN 0.174 nan 8.290 nan 0.000 0.453 795 P HA 0.305 nan 4.420 nan 0.000 0.269 795 P C -0.959 176.324 177.300 -0.029 0.000 1.215 795 P CA -0.222 62.862 63.100 -0.028 0.000 0.780 795 P CB 0.757 32.434 31.700 -0.038 0.000 0.898 796 S N 0.130 115.811 115.700 -0.031 0.000 2.543 796 S HA 0.280 4.746 4.470 -0.005 0.000 0.274 796 S C 0.114 174.697 174.600 -0.030 0.000 1.149 796 S CA -0.681 57.502 58.200 -0.028 0.000 0.866 796 S CB 0.456 63.645 63.200 -0.017 0.000 1.111 796 S HN 0.301 nan 8.310 nan 0.000 0.457 797 L N 3.017 124.223 121.223 -0.030 0.000 2.558 797 L HA 0.242 4.579 4.340 -0.005 0.000 0.225 797 L C 2.528 179.391 176.870 -0.011 0.000 1.128 797 L CA 0.770 55.595 54.840 -0.025 0.000 0.868 797 L CB -0.524 41.519 42.059 -0.027 0.000 1.006 797 L HN 0.824 nan 8.230 nan 0.000 0.454 798 A N 1.237 124.052 122.820 -0.009 0.000 1.940 798 A HA -0.118 4.198 4.320 -0.005 0.000 0.219 798 A C -0.122 177.462 177.584 -0.001 0.000 1.176 798 A CA 1.526 53.562 52.037 -0.003 0.000 0.631 798 A CB -1.464 17.535 19.000 -0.002 0.000 0.814 798 A HN 0.258 nan 8.150 nan 0.000 0.446 799 P HA -0.147 nan 4.420 nan 0.000 0.217 799 P C 1.688 178.989 177.300 0.000 0.000 1.150 799 P CA 1.767 64.866 63.100 -0.001 0.000 0.832 799 P CB -0.143 31.555 31.700 -0.003 0.000 0.787 800 M N -2.924 116.676 119.600 -0.000 0.000 2.394 800 M HA 0.078 4.555 4.480 -0.005 0.000 0.266 800 M C 1.693 177.996 176.300 0.005 0.000 1.098 800 M CA 1.780 57.082 55.300 0.003 0.000 1.149 800 M CB -1.674 30.928 32.600 0.003 0.000 1.369 800 M HN -0.233 nan 8.290 nan 0.000 0.450 801 L N 0.495 121.721 121.223 0.005 0.000 2.127 801 L HA -0.160 4.177 4.340 -0.005 0.000 0.211 801 L C 2.284 179.159 176.870 0.009 0.000 1.089 801 L CA 1.568 56.413 54.840 0.008 0.000 0.757 801 L CB -0.877 41.187 42.059 0.008 0.000 0.899 801 L HN 0.481 nan 8.230 nan 0.000 0.434 802 E N 0.047 120.252 120.200 0.007 0.000 2.204 802 E HA -0.185 4.162 4.350 -0.005 0.000 0.194 802 E C 1.843 178.448 176.600 0.008 0.000 0.989 802 E CA 0.799 57.204 56.400 0.008 0.000 0.824 802 E CB 0.112 29.816 29.700 0.007 0.000 0.756 802 E HN 0.457 nan 8.360 nan 0.000 0.477 803 K N -0.018 120.386 120.400 0.007 0.000 2.426 803 K HA 0.049 4.366 4.320 -0.005 0.000 0.193 803 K C 1.601 178.206 176.600 0.008 0.000 1.028 803 K CA 0.195 56.487 56.287 0.007 0.000 1.047 803 K CB 0.757 33.261 32.500 0.006 0.000 0.821 803 K HN -0.026 nan 8.250 nan 0.000 0.513 804 V N 0.739 120.658 119.914 0.009 0.000 2.690 804 V HA -0.101 4.015 4.120 -0.005 0.000 0.240 804 V C 2.038 178.139 176.094 0.012 0.000 1.078 804 V CA 0.698 63.004 62.300 0.011 0.000 1.102 804 V CB -0.100 31.731 31.823 0.012 0.000 0.800 804 V HN 0.218 nan 8.190 nan 0.000 0.479 805 M N 0.162 119.770 119.600 0.013 0.000 2.146 805 M HA -0.172 4.304 4.480 -0.005 0.000 0.256 805 M C -0.124 176.186 176.300 0.016 0.000 1.075 805 M CA 2.171 57.481 55.300 0.016 0.000 1.082 805 M CB -2.508 30.103 32.600 0.018 0.000 1.355 805 M HN 0.265 nan 8.290 nan 0.000 0.402 806 P HA -0.047 nan 4.420 nan 0.000 0.225 806 P C 1.159 178.464 177.300 0.007 0.000 1.148 806 P CA 1.083 64.192 63.100 0.014 0.000 0.779 806 P CB -0.056 31.651 31.700 0.012 0.000 0.780 807 S N -1.560 114.144 115.700 0.006 0.000 2.524 807 S HA 0.066 4.533 4.470 -0.005 0.000 0.216 807 S C 0.816 175.418 174.600 0.004 0.000 0.987 807 S CA 0.083 58.283 58.200 0.001 0.000 0.909 807 S CB -0.088 63.114 63.200 0.002 0.000 0.781 807 S HN -0.063 nan 8.310 nan 0.000 0.521 808 V N 3.391 123.311 119.914 0.011 0.000 2.465 808 V HA 0.467 4.583 4.120 -0.005 0.000 0.279 808 V C 0.184 176.289 176.094 0.018 0.000 1.045 808 V CA -0.566 61.742 62.300 0.014 0.000 0.938 808 V CB 1.202 33.036 31.823 0.018 0.000 0.986 808 V HN 0.242 nan 8.190 nan 0.000 0.467 809 V N 2.615 122.539 119.914 0.017 0.000 3.103 809 V HA 0.842 4.959 4.120 -0.005 0.000 0.318 809 V C -0.124 175.987 176.094 0.028 0.000 1.114 809 V CA -0.491 61.824 62.300 0.026 0.000 1.020 809 V CB 2.392 34.227 31.823 0.019 0.000 1.085 809 V HN 0.733 nan 8.190 nan 0.000 0.446 810 S N 1.542 117.265 115.700 0.038 0.000 2.638 810 S HA 0.829 5.296 4.470 -0.005 0.000 0.298 810 S C -0.513 174.109 174.600 0.038 0.000 1.111 810 S CA -0.559 57.662 58.200 0.036 0.000 1.027 810 S CB 1.319 64.543 63.200 0.041 0.000 1.064 810 S HN 0.721 nan 8.310 nan 0.000 0.525 811 I N 2.017 122.606 120.570 0.032 0.000 2.534 811 I HA 0.363 4.530 4.170 -0.005 0.000 0.288 811 I C -1.240 174.897 176.117 0.034 0.000 1.077 811 I CA -0.617 60.702 61.300 0.032 0.000 1.051 811 I CB 2.182 40.193 38.000 0.020 0.000 1.234 811 I HN 0.473 nan 8.210 nan 0.000 0.425 812 N N 4.519 123.240 118.700 0.035 0.000 2.442 812 N HA 0.543 5.280 4.740 -0.005 0.000 0.274 812 N C -1.127 174.398 175.510 0.024 0.000 1.002 812 N CA -0.276 52.792 53.050 0.031 0.000 0.910 812 N CB 2.268 40.770 38.487 0.025 0.000 1.244 812 N HN 0.169 nan 8.380 nan 0.000 0.492 813 V N 1.361 121.292 119.914 0.029 0.000 2.630 813 V HA 0.509 4.626 4.120 -0.005 0.000 0.305 813 V C -0.108 175.942 176.094 -0.074 0.000 1.046 813 V CA -0.717 61.591 62.300 0.014 0.000 0.934 813 V CB 1.829 33.702 31.823 0.083 0.000 1.003 813 V HN 0.605 nan 8.190 nan 0.000 0.451 814 E N 1.793 121.902 120.200 -0.150 0.000 2.256 814 E HA 0.729 5.075 4.350 -0.005 0.000 0.268 814 E C -0.465 175.896 176.600 -0.398 0.000 0.877 814 E CA -0.324 55.896 56.400 -0.301 0.000 0.757 814 E CB 2.195 31.796 29.700 -0.165 0.000 1.183 814 E HN 0.923 nan 8.360 nan 0.000 0.418 815 G N 1.379 109.694 108.800 -0.809 0.000 2.495 815 G HA2 0.467 4.424 3.960 -0.005 0.000 0.294 815 G HA3 0.467 4.424 3.960 -0.005 0.000 0.294 815 G C -1.199 173.420 174.900 -0.469 0.000 1.397 815 G CA -0.158 44.630 45.100 -0.519 0.000 0.790 815 G HN 0.641 nan 8.290 nan 0.000 0.486 816 S N -1.834 113.943 115.700 0.127 0.000 2.740 816 S HA 0.923 5.390 4.470 -0.005 0.000 0.300 816 S C -0.435 174.403 174.600 0.397 0.000 1.147 816 S CA 0.102 58.474 58.200 0.287 0.000 0.871 816 S CB 2.101 65.380 63.200 0.133 0.000 1.173 816 S HN 1.827 nan 8.310 nan 0.000 0.510 817 T N -0.705 114.008 114.554 0.265 0.000 2.718 817 T HA 0.509 4.856 4.350 -0.005 0.000 0.306 817 T C -1.543 173.219 174.700 0.103 0.000 1.485 817 T CA -0.415 61.779 62.100 0.155 0.000 0.997 817 T CB 1.333 70.253 68.868 0.087 0.000 1.504 817 T HN 0.723 nan 8.240 nan 0.000 0.497 818 T N 1.953 116.546 114.554 0.065 0.000 2.743 818 T HA 0.611 4.957 4.350 -0.005 0.000 0.293 818 T C -0.398 174.328 174.700 0.043 0.000 0.945 818 T CA -0.288 61.843 62.100 0.053 0.000 1.030 818 T CB 0.808 69.701 68.868 0.041 0.000 0.912 818 T HN 0.588 nan 8.240 nan 0.000 0.483 819 V N 4.712 124.656 119.914 0.049 0.000 2.919 819 V HA 0.551 4.668 4.120 -0.005 0.000 0.316 819 V C -0.490 175.633 176.094 0.047 0.000 1.077 819 V CA -1.075 61.253 62.300 0.047 0.000 0.977 819 V CB 2.063 33.919 31.823 0.055 0.000 1.039 819 V HN 0.796 nan 8.190 nan 0.000 0.441 820 N N 1.842 120.573 118.700 0.052 0.000 2.513 820 N HA 0.260 4.997 4.740 -0.005 0.000 0.274 820 N C -0.408 175.136 175.510 0.057 0.000 1.189 820 N CA -0.124 52.960 53.050 0.055 0.000 0.975 820 N CB 0.965 39.494 38.487 0.070 0.000 1.157 820 N HN 0.724 nan 8.380 nan 0.000 0.465 821 T N 2.996 117.581 114.554 0.052 0.000 2.752 821 T HA 0.219 4.566 4.350 -0.005 0.000 0.295 821 T C -2.106 172.625 174.700 0.052 0.000 0.923 821 T CA -0.770 61.358 62.100 0.046 0.000 1.112 821 T CB 0.309 69.200 68.868 0.038 0.000 0.884 821 T HN 0.252 nan 8.240 nan 0.000 0.525 822 P HA 0.108 nan 4.420 nan 0.000 0.264 822 P C -0.159 177.159 177.300 0.029 0.000 1.193 822 P CA -0.193 62.928 63.100 0.034 0.000 0.763 822 P CB 0.479 32.191 31.700 0.019 0.000 0.810 823 R N 3.280 123.797 120.500 0.028 0.000 2.294 823 R HA 0.536 4.873 4.340 -0.005 0.000 0.319 823 R C -0.168 176.130 176.300 -0.002 0.000 0.984 823 R CA -0.671 55.444 56.100 0.024 0.000 0.861 823 R CB 1.111 31.441 30.300 0.049 0.000 1.104 823 R HN 0.474 nan 8.270 nan 0.000 0.451 824 M N 2.121 121.719 119.600 -0.003 0.000 2.644 824 M HA 0.425 4.901 4.480 -0.005 0.000 0.316 824 M C -1.768 174.524 176.300 -0.013 0.000 1.200 824 M CA -1.729 53.564 55.300 -0.013 0.000 0.944 824 M CB 1.019 33.614 32.600 -0.007 0.000 1.691 824 M HN 0.394 nan 8.290 nan 0.000 0.471 825 P HA 0.382 nan 4.420 nan 0.000 0.288 825 P C -1.197 176.079 177.300 -0.040 0.000 1.291 825 P CA -0.474 62.611 63.100 -0.026 0.000 0.766 825 P CB 0.524 32.207 31.700 -0.028 0.000 1.242 826 R N 1.366 121.843 120.500 -0.038 0.000 2.310 826 R HA 0.375 4.711 4.340 -0.005 0.000 0.324 826 R C -0.535 175.732 176.300 -0.055 0.000 0.955 826 R CA -0.521 55.547 56.100 -0.053 0.000 0.830 826 R CB -0.110 30.172 30.300 -0.031 0.000 1.154 826 R HN 0.359 nan 8.270 nan 0.000 0.458 827 N N 3.758 122.395 118.700 -0.105 0.000 2.511 827 N HA 0.051 4.787 4.740 -0.005 0.000 0.249 827 N C 0.370 175.778 175.510 -0.170 0.000 0.971 827 N CA -0.275 52.669 53.050 -0.176 0.000 0.938 827 N CB 0.600 38.967 38.487 -0.201 0.000 1.131 827 N HN 0.439 nan 8.380 nan 0.000 0.505 828 F N 2.613 122.505 119.950 -0.097 0.000 2.771 828 F HA 0.084 4.614 4.527 0.005 0.000 0.299 828 F C 1.018 176.768 175.800 -0.084 0.000 1.177 828 F CA 0.151 58.100 58.000 -0.085 0.000 1.450 828 F CB -0.086 38.881 39.000 -0.055 0.000 1.114 828 F HN 0.458 nan 8.300 nan 0.000 0.587 829 Q N 1.127 120.662 119.800 -0.441 0.000 2.211 829 Q HA 0.219 4.556 4.340 -0.005 0.000 0.301 829 Q C -0.380 175.366 176.000 -0.424 0.000 0.884 829 Q CA -0.330 55.267 55.803 -0.343 0.000 1.115 829 Q CB 0.218 28.689 28.738 -0.445 0.000 1.217 829 Q HN 0.683 nan 8.270 nan 0.000 0.451 830 Q N 1.361 120.907 119.800 -0.422 0.000 3.147 830 Q HA 0.219 4.556 4.340 -0.005 0.000 0.224 830 Q C -1.511 174.267 176.000 -0.370 0.000 0.901 830 Q CA -0.761 54.728 55.803 -0.523 0.000 0.729 830 Q CB 0.579 29.137 28.738 -0.299 0.000 1.363 830 Q HN 0.400 nan 8.270 nan 0.000 0.467 831 F N 3.672 123.677 119.950 0.091 0.000 2.556 831 F HA 0.287 4.810 4.527 -0.006 0.000 0.344 831 F C 0.310 176.284 175.800 0.289 0.000 1.255 831 F CA -1.225 56.886 58.000 0.185 0.000 1.091 831 F CB -1.084 37.998 39.000 0.137 0.000 1.325 831 F HN 0.316 nan 8.300 nan 0.000 0.627 832 F N 1.177 121.203 119.950 0.126 0.000 2.290 832 F HA 0.620 5.141 4.527 -0.010 0.000 0.282 832 F C 0.954 176.816 175.800 0.103 0.000 1.251 832 F CA -0.527 57.526 58.000 0.089 0.000 1.269 832 F CB -0.411 38.615 39.000 0.043 0.000 1.455 832 F HN 0.880 nan 8.300 nan 0.000 0.501 833 G N -0.270 108.360 108.800 -0.284 0.000 3.277 833 G HA2 0.346 4.303 3.960 -0.005 0.000 0.684 833 G HA3 0.346 4.303 3.960 -0.005 0.000 0.684 833 G C -0.646 174.174 174.900 -0.134 0.000 0.923 833 G CA -0.489 44.367 45.100 -0.406 0.000 0.779 833 G HN 1.676 nan 8.290 nan 0.000 0.508 834 G N 1.753 110.572 108.800 0.031 0.000 2.741 834 G HA2 0.930 4.887 3.960 -0.005 0.000 0.293 834 G HA3 0.930 4.887 3.960 -0.005 0.000 0.293 834 G C -0.643 174.278 174.900 0.035 0.000 1.457 834 G CA 0.225 45.345 45.100 0.032 0.000 1.098 834 G HN 1.475 nan 8.290 nan 0.000 0.536 835 Q N 1.262 121.086 119.800 0.040 0.000 2.386 835 Q HA 0.456 4.793 4.340 -0.005 0.000 0.274 835 Q C -1.286 174.745 176.000 0.052 0.000 1.011 835 Q CA -1.238 54.590 55.803 0.042 0.000 0.867 835 Q CB 1.812 30.574 28.738 0.039 0.000 1.409 835 Q HN 0.310 nan 8.270 nan 0.000 0.395 836 Q N 1.426 121.259 119.800 0.056 0.000 2.373 836 Q HA 0.304 4.641 4.340 -0.005 0.000 0.255 836 Q C -0.966 175.079 176.000 0.076 0.000 0.980 836 Q CA 0.239 56.086 55.803 0.072 0.000 0.882 836 Q CB 1.212 29.993 28.738 0.072 0.000 1.249 836 Q HN 0.566 nan 8.270 nan 0.000 0.438 837 Q N 0.906 120.769 119.800 0.104 0.000 2.305 837 Q HA 0.337 4.674 4.340 -0.005 0.000 0.271 837 Q C -1.214 174.880 176.000 0.157 0.000 1.046 837 Q CA -0.349 55.521 55.803 0.111 0.000 0.798 837 Q CB 1.711 30.517 28.738 0.112 0.000 1.286 837 Q HN 0.268 nan 8.270 nan 0.000 0.435 838 K N 2.349 122.807 120.400 0.097 0.000 2.237 838 K HA 0.568 4.885 4.320 -0.005 0.000 0.270 838 K C -0.428 176.233 176.600 0.102 0.000 1.015 838 K CA -0.196 56.110 56.287 0.032 0.000 0.949 838 K CB 0.590 33.068 32.500 -0.038 0.000 0.976 838 K HN 0.561 nan 8.250 nan 0.000 0.472 839 F N -1.221 118.748 119.950 0.032 0.000 2.685 839 F HA 0.618 5.141 4.527 -0.005 0.000 0.315 839 F C -1.147 174.672 175.800 0.032 0.000 1.126 839 F CA -1.421 56.598 58.000 0.032 0.000 0.950 839 F CB 1.261 40.282 39.000 0.035 0.000 1.360 839 F HN 0.212 nan 8.300 nan 0.000 0.469 840 M N 2.082 121.761 119.600 0.132 0.000 2.393 840 M HA 0.772 5.249 4.480 -0.005 0.000 0.299 840 M C -1.031 175.420 176.300 0.251 0.000 1.103 840 M CA -0.809 54.517 55.300 0.045 0.000 0.910 840 M CB 2.367 34.983 32.600 0.028 0.000 1.659 840 M HN 0.988 nan 8.290 nan 0.000 0.445 841 A N 3.393 126.341 122.820 0.212 0.000 2.469 841 A HA 1.019 5.335 4.320 -0.005 0.000 0.299 841 A C -1.655 175.999 177.584 0.117 0.000 1.098 841 A CA -0.769 51.397 52.037 0.215 0.000 0.737 841 A CB 1.948 21.122 19.000 0.289 0.000 1.312 841 A HN 0.968 nan 8.150 nan 0.000 0.414 842 L N 0.207 121.486 121.223 0.092 0.000 2.472 842 L HA 0.947 5.284 4.340 -0.005 0.000 0.260 842 L C -0.438 176.456 176.870 0.040 0.000 0.963 842 L CA -0.105 54.770 54.840 0.059 0.000 0.829 842 L CB 1.900 43.993 42.059 0.057 0.000 1.348 842 L HN 1.257 nan 8.230 nan 0.000 0.408 843 G N 1.476 110.287 108.800 0.018 0.000 2.682 843 G HA2 0.614 4.571 3.960 -0.005 0.000 0.303 843 G HA3 0.614 4.571 3.960 -0.005 0.000 0.303 843 G C -1.761 173.139 174.900 -0.000 0.000 1.341 843 G CA -0.459 44.639 45.100 -0.003 0.000 0.784 843 G HN 0.665 nan 8.290 nan 0.000 0.497 844 S N -1.953 113.743 115.700 -0.006 0.000 2.704 844 S HA 0.918 5.385 4.470 -0.005 0.000 0.305 844 S C 0.094 174.693 174.600 -0.003 0.000 1.107 844 S CA 0.038 58.240 58.200 0.004 0.000 0.993 844 S CB 1.729 64.935 63.200 0.010 0.000 1.110 844 S HN 1.394 nan 8.310 nan 0.000 0.534 845 G N -0.343 108.460 108.800 0.005 0.000 2.684 845 G HA2 0.617 4.574 3.960 -0.005 0.000 0.290 845 G HA3 0.617 4.574 3.960 -0.005 0.000 0.290 845 G C -2.002 172.902 174.900 0.008 0.000 1.425 845 G CA -0.447 44.655 45.100 0.003 0.000 0.822 845 G HN 0.611 nan 8.290 nan 0.000 0.482 846 V N 0.985 120.904 119.914 0.008 0.000 2.531 846 V HA 0.382 4.499 4.120 -0.005 0.000 0.301 846 V C 0.075 176.175 176.094 0.009 0.000 1.034 846 V CA -0.615 61.691 62.300 0.008 0.000 0.865 846 V CB 1.649 33.478 31.823 0.011 0.000 0.995 846 V HN 0.665 nan 8.190 nan 0.000 0.424 847 I N 5.038 125.610 120.570 0.002 0.000 2.587 847 I HA 0.076 4.243 4.170 -0.005 0.000 0.284 847 I C 0.682 176.808 176.117 0.014 0.000 1.134 847 I CA 0.459 61.759 61.300 -0.000 0.000 1.410 847 I CB 0.781 38.766 38.000 -0.025 0.000 1.392 847 I HN 0.567 nan 8.210 nan 0.000 0.545 848 I N 4.193 124.787 120.570 0.039 0.000 4.323 848 I HA 0.152 4.318 4.170 -0.005 0.000 0.328 848 I C 0.055 176.211 176.117 0.066 0.000 1.310 848 I CA 0.756 62.083 61.300 0.045 0.000 1.186 848 I CB 0.253 38.276 38.000 0.037 0.000 1.130 848 I HN 0.475 nan 8.210 nan 0.000 0.411 849 D N -0.243 120.207 120.400 0.083 0.000 2.386 849 D HA 0.406 5.043 4.640 -0.005 0.000 0.247 849 D C 0.806 177.085 176.300 -0.036 0.000 1.336 849 D CA 0.130 54.165 54.000 0.058 0.000 0.976 849 D CB 1.561 42.464 40.800 0.172 0.000 1.257 849 D HN 0.035 nan 8.370 nan 0.000 0.570 850 A N 3.405 126.199 122.820 -0.043 0.000 1.933 850 A HA -0.155 4.162 4.320 -0.005 0.000 0.218 850 A C 1.613 179.133 177.584 -0.107 0.000 1.175 850 A CA 1.541 53.534 52.037 -0.073 0.000 0.628 850 A CB -0.095 18.875 19.000 -0.050 0.000 0.814 850 A HN 0.530 nan 8.150 nan 0.000 0.444 851 D N -0.635 119.702 120.400 -0.104 0.000 2.103 851 D HA -0.043 4.593 4.640 -0.005 0.000 0.199 851 D C 1.842 178.022 176.300 -0.199 0.000 0.978 851 D CA 0.968 54.894 54.000 -0.122 0.000 0.829 851 D CB 0.026 40.772 40.800 -0.092 0.000 0.981 851 D HN 0.135 nan 8.370 nan 0.000 0.464 852 K N -0.269 119.943 120.400 -0.313 0.000 2.459 852 K HA 0.140 4.457 4.320 -0.005 0.000 0.193 852 K C 0.885 177.136 176.600 -0.581 0.000 1.030 852 K CA 0.598 56.542 56.287 -0.571 0.000 1.026 852 K CB 0.377 32.214 32.500 -1.105 0.000 0.809 852 K HN 0.217 nan 8.250 nan 0.000 0.504 853 G N 1.785 110.371 108.800 -0.357 0.000 2.272 853 G HA2 -0.290 3.667 3.960 -0.005 0.000 0.280 853 G HA3 -0.290 3.667 3.960 -0.005 0.000 0.280 853 G C -0.413 174.403 174.900 -0.140 0.000 1.067 853 G CA -0.036 44.916 45.100 -0.246 0.000 0.902 853 G HN 0.393 nan 8.290 nan 0.000 0.500 854 Y N -0.822 119.440 120.300 -0.064 0.000 2.404 854 Y HA 0.439 4.985 4.550 -0.005 0.000 0.344 854 Y C 0.675 176.546 175.900 -0.048 0.000 0.995 854 Y CA -1.144 56.926 58.100 -0.049 0.000 1.201 854 Y CB 1.455 39.891 38.460 -0.041 0.000 1.151 854 Y HN 0.065 nan 8.280 nan 0.000 0.517 855 V N 5.800 125.794 119.914 0.134 0.000 2.448 855 V HA 0.216 4.333 4.120 -0.005 0.000 0.295 855 V C -0.382 175.729 176.094 0.028 0.000 1.025 855 V CA -0.886 61.445 62.300 0.052 0.000 0.859 855 V CB 1.784 33.621 31.823 0.023 0.000 0.988 855 V HN 0.498 nan 8.190 nan 0.000 0.431 856 V N 5.329 125.250 119.914 0.012 0.000 2.607 856 V HA 0.785 4.902 4.120 -0.005 0.000 0.289 856 V C 0.201 176.292 176.094 -0.005 0.000 1.053 856 V CA 0.778 63.075 62.300 -0.005 0.000 0.996 856 V CB 1.755 33.572 31.823 -0.010 0.000 0.995 856 V HN 1.105 nan 8.190 nan 0.000 0.476 857 T N 4.009 118.555 114.554 -0.013 0.000 2.665 857 T HA 0.413 4.760 4.350 -0.005 0.000 0.303 857 T C -0.982 173.694 174.700 -0.040 0.000 1.334 857 T CA -0.721 61.364 62.100 -0.025 0.000 1.011 857 T CB 1.248 70.097 68.868 -0.031 0.000 1.573 857 T HN 0.745 nan 8.240 nan 0.000 0.492 858 N N 2.387 121.030 118.700 -0.095 0.000 2.518 858 N HA 0.269 5.006 4.740 -0.005 0.000 0.283 858 N C 1.134 176.557 175.510 -0.144 0.000 1.119 858 N CA -0.572 52.403 53.050 -0.125 0.000 0.983 858 N CB 0.650 38.947 38.487 -0.316 0.000 1.139 858 N HN 0.616 nan 8.380 nan 0.000 0.465 859 N N 1.869 120.551 118.700 -0.030 0.000 2.381 859 N HA -0.203 4.534 4.740 -0.005 0.000 0.182 859 N C 0.908 176.426 175.510 0.013 0.000 1.025 859 N CA 0.873 53.923 53.050 0.000 0.000 0.888 859 N CB -0.014 38.497 38.487 0.041 0.000 0.965 859 N HN 0.724 nan 8.380 nan 0.000 0.438 860 H N -0.775 118.308 119.070 0.021 0.000 2.555 860 H HA 0.064 4.617 4.556 -0.005 0.000 0.269 860 H C 1.524 176.864 175.328 0.020 0.000 0.988 860 H CA 0.416 56.469 56.048 0.008 0.000 1.178 860 H CB 0.082 29.843 29.762 -0.002 0.000 1.373 860 H HN 0.069 nan 8.280 nan 0.000 0.588 861 V N 1.373 121.135 119.914 -0.254 0.000 2.521 861 V HA -0.128 3.989 4.120 -0.005 0.000 0.239 861 V C 2.878 178.986 176.094 0.024 0.000 1.053 861 V CA 1.021 63.251 62.300 -0.118 0.000 1.073 861 V CB 0.003 31.717 31.823 -0.182 0.000 0.746 861 V HN 0.453 nan 8.190 nan 0.000 0.476 862 V N -1.807 118.111 119.914 0.006 0.000 3.306 862 V HA 0.110 4.227 4.120 -0.005 0.000 0.264 862 V C 0.897 177.047 176.094 0.092 0.000 1.149 862 V CA 0.407 62.742 62.300 0.058 0.000 1.143 862 V CB -0.537 31.304 31.823 0.031 0.000 0.767 862 V HN 0.458 nan 8.190 nan 0.000 0.476 863 D N 2.217 122.661 120.400 0.073 0.000 2.533 863 D HA -0.044 4.593 4.640 -0.005 0.000 0.236 863 D C 0.871 177.251 176.300 0.132 0.000 1.137 863 D CA 1.169 55.212 54.000 0.072 0.000 0.867 863 D CB -0.054 40.769 40.800 0.038 0.000 1.170 863 D HN 0.491 nan 8.370 nan 0.000 0.474 864 N N 0.511 119.289 118.700 0.130 0.000 2.800 864 N HA -0.201 4.536 4.740 -0.005 0.000 0.250 864 N C -0.543 175.148 175.510 0.301 0.000 1.078 864 N CA 0.956 54.129 53.050 0.204 0.000 0.804 864 N CB -1.356 37.255 38.487 0.207 0.000 1.135 864 N HN 0.528 nan 8.380 nan 0.000 0.565 865 A N -0.243 122.709 122.820 0.219 0.000 2.407 865 A HA 0.449 4.766 4.320 -0.005 0.000 0.248 865 A C 1.321 178.971 177.584 0.109 0.000 1.082 865 A CA 0.893 53.022 52.037 0.153 0.000 0.785 865 A CB 0.453 19.519 19.000 0.110 0.000 1.020 865 A HN 0.229 nan 8.150 nan 0.000 0.489 866 T N 0.364 114.956 114.554 0.063 0.000 3.056 866 T HA 0.235 4.582 4.350 -0.005 0.000 0.243 866 T C 0.025 174.769 174.700 0.073 0.000 0.995 866 T CA 0.620 62.780 62.100 0.100 0.000 1.091 866 T CB 0.270 69.176 68.868 0.063 0.000 0.990 866 T HN 0.378 nan 8.240 nan 0.000 0.464 867 V N 2.830 122.754 119.914 0.016 0.000 2.525 867 V HA 0.610 4.727 4.120 -0.005 0.000 0.299 867 V C -1.373 174.729 176.094 0.012 0.000 1.034 867 V CA -1.204 61.104 62.300 0.014 0.000 0.863 867 V CB 1.795 33.609 31.823 -0.014 0.000 0.999 867 V HN 0.430 nan 8.190 nan 0.000 0.423 868 I N 4.152 124.742 120.570 0.034 0.000 2.410 868 I HA 0.623 4.790 4.170 -0.005 0.000 0.286 868 I C -0.481 175.662 176.117 0.044 0.000 1.009 868 I CA -0.087 61.236 61.300 0.037 0.000 1.111 868 I CB 1.170 39.197 38.000 0.046 0.000 1.262 868 I HN 0.479 nan 8.210 nan 0.000 0.443 869 K N 5.298 125.722 120.400 0.040 0.000 2.123 869 K HA 0.795 5.112 4.320 -0.005 0.000 0.259 869 K C -1.289 175.351 176.600 0.067 0.000 0.960 869 K CA -0.938 55.382 56.287 0.055 0.000 0.872 869 K CB 2.356 34.879 32.500 0.039 0.000 1.079 869 K HN 0.493 nan 8.250 nan 0.000 0.440 870 V N 2.375 122.349 119.914 0.101 0.000 2.656 870 V HA 0.278 4.395 4.120 -0.005 0.000 0.307 870 V C -0.890 175.298 176.094 0.156 0.000 1.051 870 V CA -0.797 61.569 62.300 0.109 0.000 0.893 870 V CB 1.725 33.606 31.823 0.095 0.000 0.999 870 V HN 0.721 nan 8.190 nan 0.000 0.426 871 Q N 3.835 123.706 119.800 0.119 0.000 2.327 871 Q HA 0.608 4.944 4.340 -0.005 0.000 0.270 871 Q C -1.023 175.048 176.000 0.119 0.000 1.022 871 Q CA -0.581 55.300 55.803 0.129 0.000 0.773 871 Q CB 1.643 30.427 28.738 0.077 0.000 1.251 871 Q HN 0.719 nan 8.270 nan 0.000 0.457 872 L N 1.423 122.745 121.223 0.165 0.000 2.473 872 L HA 0.045 4.382 4.340 -0.005 0.000 0.265 872 L C 1.605 178.522 176.870 0.079 0.000 1.243 872 L CA 0.347 55.257 54.840 0.116 0.000 0.822 872 L CB 0.369 42.527 42.059 0.165 0.000 1.101 872 L HN 0.851 nan 8.230 nan 0.000 0.507 873 S N -0.956 114.778 115.700 0.057 0.000 2.515 873 S HA -0.120 4.346 4.470 -0.005 0.000 0.231 873 S C 1.061 175.687 174.600 0.044 0.000 0.987 873 S CA 0.703 58.929 58.200 0.044 0.000 0.936 873 S CB -0.325 62.895 63.200 0.034 0.000 0.766 873 S HN 0.835 nan 8.310 nan 0.000 0.528 874 D N -0.008 120.423 120.400 0.053 0.000 2.340 874 D HA 0.254 4.891 4.640 -0.005 0.000 0.220 874 D C 1.454 177.780 176.300 0.044 0.000 1.039 874 D CA 0.686 54.713 54.000 0.046 0.000 0.866 874 D CB -0.479 40.350 40.800 0.049 0.000 0.913 874 D HN 0.584 nan 8.370 nan 0.000 0.523 875 G N 0.170 109.002 108.800 0.053 0.000 2.194 875 G HA2 -0.290 3.667 3.960 -0.005 0.000 0.236 875 G HA3 -0.290 3.667 3.960 -0.005 0.000 0.236 875 G C 0.260 175.178 174.900 0.030 0.000 0.987 875 G CA -0.217 44.906 45.100 0.038 0.000 0.635 875 G HN 0.430 nan 8.290 nan 0.000 0.520 876 R N 0.888 121.424 120.500 0.059 0.000 2.543 876 R HA 0.525 4.862 4.340 -0.005 0.000 0.277 876 R C 0.364 176.662 176.300 -0.004 0.000 1.074 876 R CA 0.334 56.431 56.100 -0.005 0.000 1.076 876 R CB 0.526 30.884 30.300 0.096 0.000 0.993 876 R HN 0.241 nan 8.270 nan 0.000 0.459 877 K N 2.452 122.713 120.400 -0.232 0.000 2.164 877 K HA 0.444 4.761 4.320 -0.005 0.000 0.258 877 K C -0.943 175.421 176.600 -0.393 0.000 0.951 877 K CA -0.434 55.771 56.287 -0.136 0.000 0.844 877 K CB 1.273 33.717 32.500 -0.093 0.000 1.099 877 K HN 0.247 nan 8.250 nan 0.000 0.435 878 F N -0.158 119.793 119.950 0.003 0.000 2.675 878 F HA 0.333 4.857 4.527 -0.006 0.000 0.324 878 F C -0.070 175.733 175.800 0.005 0.000 1.106 878 F CA -0.950 57.051 58.000 0.002 0.000 0.970 878 F CB 1.565 40.566 39.000 0.002 0.000 1.385 878 F HN 0.342 nan 8.300 nan 0.000 0.489 879 D N 0.259 120.797 120.400 0.229 0.000 2.272 879 D HA 0.737 5.374 4.640 -0.005 0.000 0.247 879 D C -0.926 175.445 176.300 0.118 0.000 0.990 879 D CA -0.175 53.901 54.000 0.127 0.000 0.931 879 D CB 2.065 42.916 40.800 0.086 0.000 1.195 879 D HN 0.669 nan 8.370 nan 0.000 0.477 880 A N 0.909 123.778 122.820 0.083 0.000 2.515 880 A HA 0.700 5.016 4.320 -0.005 0.000 0.296 880 A C -0.980 176.641 177.584 0.063 0.000 1.094 880 A CA -0.751 51.326 52.037 0.067 0.000 0.718 880 A CB 1.885 20.919 19.000 0.057 0.000 1.307 880 A HN 0.364 nan 8.150 nan 0.000 0.408 881 K N 1.266 121.703 120.400 0.063 0.000 2.426 881 K HA 0.477 4.794 4.320 -0.005 0.000 0.251 881 K C -0.977 175.658 176.600 0.060 0.000 0.941 881 K CA -1.010 55.315 56.287 0.063 0.000 0.808 881 K CB 1.708 34.247 32.500 0.064 0.000 1.265 881 K HN 0.661 nan 8.250 nan 0.000 0.432 882 M N 2.243 121.873 119.600 0.051 0.000 2.252 882 M HA -0.022 4.455 4.480 -0.005 0.000 0.348 882 M C 1.008 177.330 176.300 0.037 0.000 1.334 882 M CA 0.413 55.737 55.300 0.039 0.000 1.071 882 M CB 0.802 33.421 32.600 0.031 0.000 1.763 882 M HN 0.666 nan 8.290 nan 0.000 0.452 883 V N 2.722 122.652 119.914 0.026 0.000 3.539 883 V HA 0.567 4.684 4.120 -0.005 0.000 0.262 883 V C 0.365 176.450 176.094 -0.015 0.000 1.381 883 V CA 1.180 63.489 62.300 0.015 0.000 1.060 883 V CB 1.068 32.902 31.823 0.019 0.000 0.842 883 V HN 0.888 nan 8.190 nan 0.000 0.445 884 G N 0.630 109.418 108.800 -0.020 0.000 2.579 884 G HA2 0.580 4.536 3.960 -0.005 0.000 0.292 884 G HA3 0.580 4.536 3.960 -0.005 0.000 0.292 884 G C -1.579 173.312 174.900 -0.015 0.000 1.484 884 G CA -0.294 44.793 45.100 -0.022 0.000 0.813 884 G HN 0.656 nan 8.290 nan 0.000 0.515 885 K N -0.365 120.031 120.400 -0.007 0.000 2.587 885 K HA 0.683 5.000 4.320 -0.005 0.000 0.276 885 K C -2.390 174.212 176.600 0.004 0.000 0.956 885 K CA -0.973 55.314 56.287 -0.000 0.000 0.857 885 K CB 2.688 35.192 32.500 0.008 0.000 1.431 885 K HN 0.490 nan 8.250 nan 0.000 0.420 886 D N 2.285 122.690 120.400 0.009 0.000 2.337 886 D HA 0.322 4.959 4.640 -0.005 0.000 0.238 886 D C -2.184 174.131 176.300 0.024 0.000 1.331 886 D CA -1.807 52.200 54.000 0.011 0.000 0.967 886 D CB 1.991 42.793 40.800 0.002 0.000 1.382 886 D HN 0.275 nan 8.370 nan 0.000 0.549 887 P HA -0.194 nan 4.420 nan 0.000 0.217 887 P C 1.511 178.842 177.300 0.052 0.000 1.148 887 P CA 0.717 63.842 63.100 0.042 0.000 0.834 887 P CB 0.280 32.000 31.700 0.033 0.000 0.783 888 R N 0.021 120.546 120.500 0.041 0.000 2.088 888 R HA -0.101 4.235 4.340 -0.005 0.000 0.232 888 R C 2.384 178.730 176.300 0.077 0.000 1.136 888 R CA 2.362 58.493 56.100 0.051 0.000 0.926 888 R CB -1.561 28.754 30.300 0.025 0.000 0.837 888 R HN 0.315 nan 8.270 nan 0.000 0.429 889 S N 0.285 116.011 115.700 0.044 0.000 2.522 889 S HA -0.107 4.360 4.470 -0.005 0.000 0.227 889 S C 0.422 175.080 174.600 0.098 0.000 0.986 889 S CA 0.931 59.152 58.200 0.034 0.000 0.929 889 S CB -0.050 63.134 63.200 -0.027 0.000 0.769 889 S HN 0.416 nan 8.310 nan 0.000 0.529 890 D N -0.037 120.422 120.400 0.099 0.000 2.800 890 D HA -0.150 4.487 4.640 -0.005 0.000 0.232 890 D C -0.763 175.595 176.300 0.097 0.000 1.137 890 D CA 0.603 54.679 54.000 0.126 0.000 0.718 890 D CB -1.692 39.223 40.800 0.192 0.000 1.084 890 D HN 0.526 nan 8.370 nan 0.000 0.432 891 I N 0.095 120.695 120.570 0.050 0.000 2.474 891 I HA 0.737 4.904 4.170 -0.005 0.000 0.294 891 I C 0.538 176.657 176.117 0.004 0.000 1.005 891 I CA -0.680 60.633 61.300 0.022 0.000 1.113 891 I CB 1.512 39.515 38.000 0.006 0.000 1.289 891 I HN 0.214 nan 8.210 nan 0.000 0.436 892 A N 6.904 129.718 122.820 -0.009 0.000 2.498 892 A HA 0.798 5.114 4.320 -0.005 0.000 0.298 892 A C -1.546 176.023 177.584 -0.025 0.000 1.075 892 A CA -0.568 51.460 52.037 -0.015 0.000 0.714 892 A CB 2.281 21.274 19.000 -0.011 0.000 1.299 892 A HN 0.668 nan 8.150 nan 0.000 0.407 893 L N 2.528 123.731 121.223 -0.034 0.000 2.346 893 L HA 0.761 5.097 4.340 -0.005 0.000 0.276 893 L C -0.788 176.074 176.870 -0.012 0.000 1.006 893 L CA -0.789 54.022 54.840 -0.048 0.000 0.817 893 L CB 1.502 43.487 42.059 -0.123 0.000 1.272 893 L HN 0.850 nan 8.230 nan 0.000 0.421 894 I N 0.500 121.085 120.570 0.025 0.000 3.174 894 I HA 0.548 4.715 4.170 -0.005 0.000 0.313 894 I C -1.380 174.819 176.117 0.137 0.000 1.155 894 I CA -0.828 60.509 61.300 0.063 0.000 0.977 894 I CB 2.441 40.468 38.000 0.045 0.000 1.248 894 I HN 0.575 nan 8.210 nan 0.000 0.453 895 Q N 2.495 122.371 119.800 0.126 0.000 2.292 895 Q HA 0.552 4.889 4.340 -0.005 0.000 0.270 895 Q C -1.342 174.677 176.000 0.032 0.000 1.024 895 Q CA -0.807 55.068 55.803 0.121 0.000 0.768 895 Q CB 2.536 31.364 28.738 0.150 0.000 1.250 895 Q HN 0.662 nan 8.270 nan 0.000 0.447 896 I N 3.614 124.164 120.570 -0.034 0.000 2.598 896 I HA -0.051 4.115 4.170 -0.005 0.000 0.284 896 I C 0.257 176.353 176.117 -0.034 0.000 1.140 896 I CA 0.074 61.333 61.300 -0.068 0.000 1.420 896 I CB 0.548 38.397 38.000 -0.251 0.000 1.387 896 I HN 0.366 nan 8.210 nan 0.000 0.553 897 Q N 6.651 126.479 119.800 0.047 0.000 2.295 897 Q HA 0.142 4.479 4.340 -0.005 0.000 0.259 897 Q C -0.196 175.873 176.000 0.115 0.000 0.976 897 Q CA 0.054 55.896 55.803 0.065 0.000 0.923 897 Q CB 0.617 29.403 28.738 0.081 0.000 1.185 897 Q HN 0.552 nan 8.270 nan 0.000 0.410 898 N N 1.099 119.839 118.700 0.067 0.000 2.806 898 N HA -0.103 4.634 4.740 -0.005 0.000 0.248 898 N C -2.472 173.123 175.510 0.141 0.000 1.081 898 N CA 0.188 53.300 53.050 0.104 0.000 0.680 898 N CB -1.181 37.393 38.487 0.145 0.000 0.941 898 N HN 0.442 nan 8.380 nan 0.000 0.554 899 P HA 0.247 nan 4.420 nan 0.000 0.272 899 P C -0.162 177.134 177.300 -0.006 0.000 1.223 899 P CA 0.307 63.308 63.100 -0.165 0.000 0.784 899 P CB 1.031 32.593 31.700 -0.229 0.000 0.923 900 K N 1.838 122.255 120.400 0.029 0.000 2.535 900 K HA 0.233 4.550 4.320 -0.005 0.000 0.251 900 K C -0.666 175.966 176.600 0.055 0.000 0.942 900 K CA -0.524 55.812 56.287 0.082 0.000 0.798 900 K CB 0.574 33.174 32.500 0.167 0.000 1.267 900 K HN 0.356 nan 8.250 nan 0.000 0.434 901 N N 2.829 121.541 118.700 0.019 0.000 2.650 901 N HA -0.225 4.512 4.740 -0.005 0.000 0.272 901 N C -1.187 174.319 175.510 -0.006 0.000 1.058 901 N CA 0.767 53.824 53.050 0.011 0.000 0.765 901 N CB -0.766 37.741 38.487 0.034 0.000 0.902 901 N HN 0.345 nan 8.380 nan 0.000 0.551 902 L N 0.519 121.715 121.223 -0.045 0.000 2.332 902 L HA 0.548 4.884 4.340 -0.005 0.000 0.269 902 L C 0.785 177.630 176.870 -0.042 0.000 1.016 902 L CA -0.151 54.649 54.840 -0.067 0.000 0.809 902 L CB 1.798 43.782 42.059 -0.125 0.000 1.280 902 L HN 0.162 nan 8.230 nan 0.000 0.447 903 T N 1.463 115.996 114.554 -0.035 0.000 2.824 903 T HA 0.805 5.152 4.350 -0.005 0.000 0.282 903 T C -0.656 174.032 174.700 -0.020 0.000 0.993 903 T CA -0.548 61.540 62.100 -0.021 0.000 0.967 903 T CB 1.602 70.464 68.868 -0.009 0.000 0.960 903 T HN 0.684 nan 8.240 nan 0.000 0.441 904 A N 3.101 125.913 122.820 -0.015 0.000 2.325 904 A HA 0.814 5.131 4.320 -0.005 0.000 0.333 904 A C -0.138 177.446 177.584 -0.001 0.000 1.155 904 A CA -0.781 51.252 52.037 -0.007 0.000 0.814 904 A CB 0.550 19.547 19.000 -0.004 0.000 1.206 904 A HN 0.942 nan 8.150 nan 0.000 0.482 905 I N 0.874 121.446 120.570 0.003 0.000 2.823 905 I HA 0.235 4.402 4.170 -0.005 0.000 0.290 905 I C 0.589 176.710 176.117 0.006 0.000 1.091 905 I CA -0.340 60.963 61.300 0.005 0.000 1.365 905 I CB 0.725 38.730 38.000 0.008 0.000 1.427 905 I HN 0.704 nan 8.210 nan 0.000 0.583 906 K N 7.081 127.484 120.400 0.006 0.000 2.172 906 K HA 0.365 4.682 4.320 -0.005 0.000 0.276 906 K C -1.034 175.569 176.600 0.006 0.000 1.013 906 K CA -0.562 55.728 56.287 0.005 0.000 0.913 906 K CB 1.036 33.539 32.500 0.005 0.000 1.055 906 K HN 0.622 nan 8.250 nan 0.000 0.461 907 M N 3.336 122.938 119.600 0.004 0.000 2.188 907 M HA 0.265 4.741 4.480 -0.005 0.000 0.357 907 M C -0.143 176.159 176.300 0.002 0.000 1.204 907 M CA -0.440 54.862 55.300 0.003 0.000 1.095 907 M CB 1.712 34.312 32.600 -0.000 0.000 1.604 907 M HN 0.777 nan 8.290 nan 0.000 0.464 908 A N 1.835 124.656 122.820 0.003 0.000 2.242 908 A HA 0.345 4.662 4.320 -0.005 0.000 0.304 908 A C -0.572 177.011 177.584 -0.001 0.000 1.100 908 A CA -0.577 51.461 52.037 0.003 0.000 0.860 908 A CB 0.500 19.504 19.000 0.006 0.000 1.168 908 A HN 0.713 nan 8.150 nan 0.000 0.503 909 D N 0.239 120.638 120.400 -0.002 0.000 2.393 909 D HA 0.294 4.931 4.640 -0.005 0.000 0.232 909 D C 1.034 177.330 176.300 -0.007 0.000 1.192 909 D CA 0.299 54.296 54.000 -0.005 0.000 0.882 909 D CB 0.385 41.182 40.800 -0.005 0.000 1.038 909 D HN 0.273 nan 8.370 nan 0.000 0.499 910 S N 2.750 118.445 115.700 -0.009 0.000 2.400 910 S HA -0.208 4.259 4.470 -0.005 0.000 0.234 910 S C 1.200 175.792 174.600 -0.013 0.000 1.049 910 S CA 1.130 59.323 58.200 -0.011 0.000 1.039 910 S CB -0.052 63.138 63.200 -0.017 0.000 0.856 910 S HN 0.601 nan 8.310 nan 0.000 0.465 911 D N 1.346 121.738 120.400 -0.013 0.000 2.311 911 D HA -0.014 4.622 4.640 -0.005 0.000 0.212 911 D C 1.526 177.819 176.300 -0.012 0.000 0.972 911 D CA 0.951 54.943 54.000 -0.013 0.000 0.887 911 D CB -0.210 40.582 40.800 -0.012 0.000 0.915 911 D HN 0.477 nan 8.370 nan 0.000 0.497 912 A N 0.072 122.886 122.820 -0.010 0.000 2.337 912 A HA 0.176 4.492 4.320 -0.005 0.000 0.227 912 A C 0.915 178.491 177.584 -0.013 0.000 1.259 912 A CA -0.241 51.790 52.037 -0.010 0.000 0.870 912 A CB -0.150 18.846 19.000 -0.007 0.000 0.927 912 A HN 0.110 nan 8.150 nan 0.000 0.497 913 L N 0.640 121.855 121.223 -0.014 0.000 2.417 913 L HA 0.342 4.679 4.340 -0.005 0.000 0.268 913 L C 0.461 177.316 176.870 -0.026 0.000 1.158 913 L CA 0.029 54.857 54.840 -0.019 0.000 0.819 913 L CB 0.629 42.677 42.059 -0.018 0.000 1.112 913 L HN 0.343 nan 8.230 nan 0.000 0.458 914 R N 1.363 121.841 120.500 -0.036 0.000 2.725 914 R HA 0.280 4.617 4.340 -0.005 0.000 0.277 914 R C 0.632 176.895 176.300 -0.061 0.000 0.987 914 R CA -0.849 55.225 56.100 -0.044 0.000 0.901 914 R CB 2.066 32.340 30.300 -0.044 0.000 1.207 914 R HN 0.314 nan 8.270 nan 0.000 0.463 915 V N 1.215 121.092 119.914 -0.061 0.000 2.282 915 V HA -0.229 3.887 4.120 -0.005 0.000 0.249 915 V C 1.963 177.992 176.094 -0.107 0.000 1.057 915 V CA 2.593 64.850 62.300 -0.073 0.000 1.032 915 V CB -0.483 31.304 31.823 -0.060 0.000 0.645 915 V HN 1.085 nan 8.190 nan 0.000 0.447 916 G N -0.684 108.041 108.800 -0.126 0.000 2.776 916 G HA2 -0.075 3.881 3.960 -0.005 0.000 0.209 916 G HA3 -0.075 3.881 3.960 -0.005 0.000 0.209 916 G C 0.237 174.944 174.900 -0.322 0.000 1.145 916 G CA -0.083 44.898 45.100 -0.199 0.000 0.791 916 G HN 0.457 nan 8.290 nan 0.000 0.530 917 D N -0.059 120.207 120.400 -0.224 0.000 2.443 917 D HA 0.116 4.752 4.640 -0.005 0.000 0.239 917 D C -0.033 176.126 176.300 -0.236 0.000 1.136 917 D CA 0.145 54.013 54.000 -0.219 0.000 0.879 917 D CB 0.564 41.311 40.800 -0.089 0.000 1.195 917 D HN 0.256 nan 8.370 nan 0.000 0.443 918 Y N 0.485 120.783 120.300 -0.003 0.000 2.346 918 Y HA 0.222 4.769 4.550 -0.006 0.000 0.330 918 Y C 1.302 177.202 175.900 -0.001 0.000 1.178 918 Y CA 0.252 58.352 58.100 -0.001 0.000 1.331 918 Y CB 1.074 39.534 38.460 0.001 0.000 1.253 918 Y HN 0.078 nan 8.280 nan 0.000 0.529 919 T N 2.847 117.522 114.554 0.202 0.000 2.900 919 T HA 0.519 4.866 4.350 -0.005 0.000 0.295 919 T C -1.699 173.053 174.700 0.087 0.000 1.044 919 T CA -0.663 61.501 62.100 0.106 0.000 0.995 919 T CB 1.589 70.496 68.868 0.065 0.000 1.072 919 T HN 0.395 nan 8.240 nan 0.000 0.473 920 V N 2.512 122.461 119.914 0.059 0.000 2.623 920 V HA 0.873 4.990 4.120 -0.005 0.000 0.304 920 V C -0.830 175.286 176.094 0.037 0.000 1.054 920 V CA -0.507 61.819 62.300 0.044 0.000 0.882 920 V CB 1.247 33.090 31.823 0.032 0.000 1.002 920 V HN 1.108 nan 8.190 nan 0.000 0.424 921 A N 7.417 130.258 122.820 0.036 0.000 2.325 921 A HA 0.936 5.253 4.320 -0.005 0.000 0.333 921 A C -0.760 176.842 177.584 0.029 0.000 1.155 921 A CA -0.661 51.396 52.037 0.034 0.000 0.814 921 A CB 0.975 19.997 19.000 0.035 0.000 1.206 921 A HN 0.879 nan 8.150 nan 0.000 0.482 922 I N 1.440 122.027 120.570 0.027 0.000 2.499 922 I HA 0.669 4.836 4.170 -0.005 0.000 0.288 922 I C 0.462 176.591 176.117 0.021 0.000 1.048 922 I CA -0.276 61.038 61.300 0.024 0.000 1.062 922 I CB 2.316 40.330 38.000 0.023 0.000 1.238 922 I HN 0.852 nan 8.210 nan 0.000 0.426 923 G N 3.637 112.446 108.800 0.016 0.000 2.619 923 G HA2 0.255 4.212 3.960 -0.005 0.000 0.305 923 G HA3 0.255 4.212 3.960 -0.005 0.000 0.305 923 G C -1.806 173.094 174.900 0.000 0.000 1.330 923 G CA -0.708 44.396 45.100 0.007 0.000 0.789 923 G HN 0.630 nan 8.290 nan 0.000 0.487 924 N N 0.597 119.290 118.700 -0.013 0.000 2.918 924 N HA 0.393 5.130 4.740 -0.005 0.000 0.270 924 N C -1.544 173.921 175.510 -0.076 0.000 1.536 924 N CA -1.674 51.369 53.050 -0.011 0.000 0.877 924 N CB 1.608 40.103 38.487 0.013 0.000 1.190 924 N HN 0.085 nan 8.380 nan 0.000 0.492 925 P HA -0.186 nan 4.420 nan 0.000 0.216 925 P C -0.183 176.658 177.300 -0.766 0.000 1.167 925 P CA 1.699 64.466 63.100 -0.556 0.000 0.933 925 P CB 0.098 31.412 31.700 -0.644 0.000 0.793 926 F N -3.897 116.076 119.950 0.037 0.000 2.735 926 F HA 0.493 5.017 4.527 -0.006 0.000 0.308 926 F C 1.648 177.469 175.800 0.035 0.000 1.112 926 F CA 0.312 58.333 58.000 0.035 0.000 1.235 926 F CB 0.259 39.275 39.000 0.028 0.000 1.027 926 F HN 0.066 nan 8.300 nan 0.000 0.528 927 G N 0.894 109.774 108.800 0.133 0.000 2.383 927 G HA2 -0.347 3.609 3.960 -0.005 0.000 0.229 927 G HA3 -0.347 3.609 3.960 -0.005 0.000 0.229 927 G C 1.078 176.041 174.900 0.106 0.000 1.089 927 G CA 0.281 45.444 45.100 0.106 0.000 0.640 927 G HN 0.327 nan 8.290 nan 0.000 0.510 928 L N 1.546 122.855 121.223 0.143 0.000 2.661 928 L HA 0.363 4.700 4.340 -0.005 0.000 0.236 928 L C 1.662 178.585 176.870 0.089 0.000 1.176 928 L CA 1.091 55.997 54.840 0.110 0.000 0.836 928 L CB -1.281 40.850 42.059 0.120 0.000 0.960 928 L HN 1.456 nan 8.230 nan 0.000 0.455 929 G N -0.481 108.368 108.800 0.083 0.000 2.270 929 G HA2 -0.057 3.900 3.960 -0.005 0.000 0.268 929 G HA3 -0.057 3.900 3.960 -0.005 0.000 0.268 929 G C -1.339 173.594 174.900 0.056 0.000 1.312 929 G CA -0.856 44.282 45.100 0.063 0.000 1.050 929 G HN -0.025 nan 8.290 nan 0.000 0.474 930 E N 1.453 121.682 120.200 0.048 0.000 2.035 930 E HA 0.507 4.854 4.350 -0.005 0.000 0.271 930 E C -0.382 176.244 176.600 0.043 0.000 0.953 930 E CA -0.166 56.258 56.400 0.040 0.000 0.777 930 E CB 1.087 30.807 29.700 0.034 0.000 1.104 930 E HN 0.504 nan 8.360 nan 0.000 0.408 931 T N 1.160 115.741 114.554 0.045 0.000 2.829 931 T HA 0.390 4.736 4.350 -0.005 0.000 0.282 931 T C 0.156 174.879 174.700 0.038 0.000 0.990 931 T CA -0.687 61.443 62.100 0.051 0.000 1.028 931 T CB 1.630 70.539 68.868 0.068 0.000 0.951 931 T HN 0.254 nan 8.240 nan 0.000 0.460 932 V N 1.917 121.854 119.914 0.037 0.000 2.628 932 V HA 0.890 5.007 4.120 -0.005 0.000 0.306 932 V C -0.465 175.649 176.094 0.034 0.000 1.045 932 V CA -0.189 62.130 62.300 0.031 0.000 0.905 932 V CB 1.985 33.823 31.823 0.025 0.000 0.997 932 V HN 0.925 nan 8.190 nan 0.000 0.436 933 T N 3.726 118.300 114.554 0.033 0.000 2.909 933 T HA 0.713 5.059 4.350 -0.005 0.000 0.299 933 T C -0.462 174.258 174.700 0.033 0.000 1.073 933 T CA 0.216 62.338 62.100 0.036 0.000 0.999 933 T CB 1.635 70.528 68.868 0.041 0.000 1.098 933 T HN 1.556 nan 8.240 nan 0.000 0.477 934 S N 2.033 117.752 115.700 0.033 0.000 2.726 934 S HA 1.033 5.500 4.470 -0.005 0.000 0.308 934 S C 0.272 174.906 174.600 0.057 0.000 1.115 934 S CA 0.225 58.447 58.200 0.038 0.000 0.965 934 S CB 1.700 64.908 63.200 0.015 0.000 1.145 934 S HN 1.431 nan 8.310 nan 0.000 0.532 935 G N 0.228 109.083 108.800 0.092 0.000 2.512 935 G HA2 0.402 4.359 3.960 -0.005 0.000 0.181 935 G HA3 0.402 4.359 3.960 -0.005 0.000 0.181 935 G C -1.295 173.714 174.900 0.183 0.000 1.173 935 G CA -0.191 44.981 45.100 0.119 0.000 0.988 935 G HN 1.698 nan 8.290 nan 0.000 0.485 936 I N -2.453 118.174 120.570 0.094 0.000 3.279 936 I HA 0.786 4.952 4.170 -0.005 0.000 0.315 936 I C -0.762 175.345 176.117 -0.018 0.000 1.225 936 I CA -1.425 59.892 61.300 0.027 0.000 0.947 936 I CB 1.932 39.897 38.000 -0.060 0.000 1.293 936 I HN 0.379 nan 8.210 nan 0.000 0.468 937 V N 2.999 122.881 119.914 -0.054 0.000 2.397 937 V HA 0.094 4.211 4.120 -0.005 0.000 0.262 937 V C 1.077 177.130 176.094 -0.067 0.000 1.047 937 V CA 0.471 62.737 62.300 -0.056 0.000 1.003 937 V CB 0.364 32.152 31.823 -0.059 0.000 1.037 937 V HN 0.892 nan 8.190 nan 0.000 0.480 938 S N 3.500 119.156 115.700 -0.072 0.000 2.406 938 S HA 0.312 4.779 4.470 -0.005 0.000 0.224 938 S C 0.699 175.252 174.600 -0.078 0.000 1.030 938 S CA 0.837 58.991 58.200 -0.076 0.000 0.958 938 S CB 0.263 63.411 63.200 -0.086 0.000 0.811 938 S HN 0.957 nan 8.310 nan 0.000 0.489 939 A N 0.597 123.362 122.820 -0.092 0.000 2.513 939 A HA 0.638 4.955 4.320 -0.005 0.000 0.296 939 A C -1.446 176.097 177.584 -0.069 0.000 1.052 939 A CA -0.472 51.518 52.037 -0.079 0.000 0.714 939 A CB 0.936 19.875 19.000 -0.102 0.000 1.279 939 A HN 0.131 nan 8.150 nan 0.000 0.397 940 L N 3.475 124.673 121.223 -0.041 0.000 2.956 940 L HA 0.419 4.755 4.340 -0.005 0.000 0.232 940 L C 1.602 178.470 176.870 -0.003 0.000 1.291 940 L CA 1.164 55.989 54.840 -0.024 0.000 1.122 940 L CB -0.682 41.363 42.059 -0.023 0.000 1.461 940 L HN 1.352 nan 8.230 nan 0.000 0.470 941 G N 1.571 110.377 108.800 0.011 0.000 2.999 941 G HA2 -0.479 3.478 3.960 -0.005 0.000 0.335 941 G HA3 -0.479 3.478 3.960 -0.005 0.000 0.335 941 G C 0.976 175.894 174.900 0.030 0.000 1.346 941 G CA 1.084 46.212 45.100 0.046 0.000 1.351 941 G HN 0.595 nan 8.290 nan 0.000 0.902 942 R N -0.102 120.412 120.500 0.023 0.000 3.418 942 R HA -0.124 4.213 4.340 -0.005 0.000 0.274 942 R C 0.624 176.935 176.300 0.018 0.000 1.108 942 R CA 1.320 57.428 56.100 0.012 0.000 0.741 942 R CB -1.986 28.317 30.300 0.004 0.000 1.223 942 R HN 1.027 nan 8.270 nan 0.000 0.434 943 E N -0.328 119.912 120.200 0.066 0.000 2.481 943 E HA -0.139 4.208 4.350 -0.005 0.000 0.263 943 E C 0.133 176.742 176.600 0.014 0.000 0.992 943 E CA 0.057 56.453 56.400 -0.007 0.000 0.938 943 E CB 0.317 29.954 29.700 -0.106 0.000 0.933 943 E HN 0.280 nan 8.360 nan 0.000 0.453 944 N N 2.768 121.448 118.700 -0.033 0.000 3.063 944 N HA -0.059 4.678 4.740 -0.005 0.000 0.327 944 N C -1.098 174.414 175.510 0.003 0.000 1.225 944 N CA -0.023 53.024 53.050 -0.005 0.000 1.184 944 N CB -1.238 37.233 38.487 -0.026 0.000 1.438 944 N HN 0.349 nan 8.380 nan 0.000 0.555 945 F N 0.720 120.689 119.950 0.032 0.000 2.572 945 F HA 0.098 4.622 4.527 -0.005 0.000 0.370 945 F C 1.231 177.015 175.800 -0.028 0.000 1.103 945 F CA -0.073 57.956 58.000 0.049 0.000 1.286 945 F CB 0.496 39.587 39.000 0.152 0.000 1.105 945 F HN 0.102 nan 8.300 nan 0.000 0.583 946 I N 3.663 124.333 120.570 0.167 0.000 2.440 946 I HA 0.185 4.352 4.170 -0.005 0.000 0.294 946 I C -0.248 175.808 176.117 -0.101 0.000 0.995 946 I CA -0.516 60.797 61.300 0.022 0.000 1.306 946 I CB 1.430 39.440 38.000 0.016 0.000 1.407 946 I HN 0.514 nan 8.210 nan 0.000 0.501 947 Q N 3.447 123.126 119.800 -0.202 0.000 2.316 947 Q HA 0.491 4.828 4.340 -0.005 0.000 0.264 947 Q C -0.857 175.025 176.000 -0.197 0.000 0.987 947 Q CA -0.350 55.228 55.803 -0.374 0.000 0.852 947 Q CB 2.280 30.763 28.738 -0.425 0.000 1.287 947 Q HN 0.658 nan 8.270 nan 0.000 0.448 948 T N 0.515 114.971 114.554 -0.163 0.000 2.894 948 T HA 0.179 4.526 4.350 -0.005 0.000 0.309 948 T C -0.631 174.045 174.700 -0.039 0.000 1.208 948 T CA -0.681 61.377 62.100 -0.071 0.000 1.016 948 T CB 0.945 69.796 68.868 -0.028 0.000 1.192 948 T HN 0.709 nan 8.240 nan 0.000 0.491 949 D N 1.805 122.197 120.400 -0.013 0.000 2.328 949 D HA 0.229 4.866 4.640 -0.005 0.000 0.226 949 D C 0.796 177.112 176.300 0.027 0.000 1.066 949 D CA -0.164 53.841 54.000 0.008 0.000 0.861 949 D CB -0.101 40.706 40.800 0.013 0.000 0.912 949 D HN 0.514 nan 8.370 nan 0.000 0.521 950 A N 0.149 122.986 122.820 0.029 0.000 3.004 950 A HA 0.653 4.970 4.320 -0.005 0.000 0.286 950 A C 0.531 178.138 177.584 0.038 0.000 1.632 950 A CA -0.114 51.946 52.037 0.038 0.000 1.339 950 A CB -0.517 18.509 19.000 0.043 0.000 1.136 950 A HN 0.354 nan 8.150 nan 0.000 0.577 951 A N 1.404 124.248 122.820 0.040 0.000 3.907 951 A HA 0.946 5.263 4.320 -0.005 0.000 0.166 951 A C -0.777 176.828 177.584 0.036 0.000 0.948 951 A CA -0.314 51.747 52.037 0.041 0.000 1.077 951 A CB 0.423 19.453 19.000 0.051 0.000 1.553 951 A HN 1.053 nan 8.150 nan 0.000 0.740 952 I N -1.232 119.359 120.570 0.035 0.000 2.731 952 I HA 0.250 4.417 4.170 -0.005 0.000 0.286 952 I C -0.964 175.192 176.117 0.065 0.000 1.421 952 I CA -0.853 60.475 61.300 0.047 0.000 1.071 952 I CB 0.973 38.969 38.000 -0.007 0.000 1.375 952 I HN 0.415 nan 8.210 nan 0.000 0.425 953 N N 5.801 124.566 118.700 0.107 0.000 2.429 953 N HA 0.191 4.928 4.740 -0.005 0.000 0.271 953 N C 0.664 176.271 175.510 0.161 0.000 1.272 953 N CA 0.625 53.741 53.050 0.110 0.000 0.921 953 N CB 0.204 38.751 38.487 0.099 0.000 1.128 953 N HN 0.671 nan 8.380 nan 0.000 0.481 954 R N 0.099 120.664 120.500 0.109 0.000 3.840 954 R HA -0.135 4.201 4.340 -0.005 0.000 0.464 954 R C 0.590 176.955 176.300 0.109 0.000 0.986 954 R CA 1.110 57.285 56.100 0.125 0.000 1.305 954 R CB -2.079 28.325 30.300 0.174 0.000 1.950 954 R HN 0.604 nan 8.270 nan 0.000 0.526 955 G N 0.388 109.176 108.800 -0.021 0.000 2.502 955 G HA2 0.435 4.392 3.960 -0.005 0.000 0.305 955 G HA3 0.435 4.392 3.960 -0.005 0.000 0.305 955 G C -0.205 174.577 174.900 -0.197 0.000 1.190 955 G CA -0.592 44.317 45.100 -0.318 0.000 0.933 955 G HN 0.034 nan 8.290 nan 0.000 0.503 956 N N 0.307 118.872 118.700 -0.224 0.000 2.497 956 N HA 0.336 5.073 4.740 -0.005 0.000 0.271 956 N C 0.755 176.234 175.510 -0.052 0.000 1.142 956 N CA 0.193 53.186 53.050 -0.096 0.000 0.965 956 N CB 1.197 39.662 38.487 -0.037 0.000 1.077 956 N HN 0.732 nan 8.380 nan 0.000 0.462 957 S N 1.067 116.761 115.700 -0.009 0.000 2.973 957 S HA 0.166 4.633 4.470 -0.005 0.000 0.357 957 S C 1.411 176.071 174.600 0.100 0.000 1.159 957 S CA 0.127 58.355 58.200 0.046 0.000 1.423 957 S CB -0.667 62.560 63.200 0.045 0.000 1.115 957 S HN 0.598 nan 8.310 nan 0.000 0.563 958 G N 2.407 111.234 108.800 0.044 0.000 2.355 958 G HA2 0.429 4.386 3.960 -0.005 0.000 0.175 958 G HA3 0.429 4.386 3.960 -0.005 0.000 0.175 958 G C 1.050 175.983 174.900 0.055 0.000 1.624 958 G CA 0.823 45.943 45.100 0.035 0.000 1.021 958 G HN 1.179 nan 8.290 nan 0.000 0.465 959 G N -0.913 107.912 108.800 0.041 0.000 2.509 959 G HA2 0.508 4.465 3.960 -0.005 0.000 0.168 959 G HA3 0.508 4.465 3.960 -0.005 0.000 0.168 959 G C 0.392 175.317 174.900 0.042 0.000 1.415 959 G CA 0.832 45.957 45.100 0.041 0.000 0.686 959 G HN 1.120 nan 8.290 nan 0.000 0.677 960 A N 0.485 123.324 122.820 0.032 0.000 2.363 960 A HA 0.681 4.998 4.320 -0.005 0.000 0.270 960 A C -0.622 176.983 177.584 0.034 0.000 1.121 960 A CA -0.109 51.946 52.037 0.031 0.000 0.800 960 A CB 0.500 19.515 19.000 0.024 0.000 1.052 960 A HN 0.452 nan 8.150 nan 0.000 0.493 961 L N 4.047 125.291 121.223 0.035 0.000 2.349 961 L HA 0.593 4.930 4.340 -0.005 0.000 0.278 961 L C -1.237 175.651 176.870 0.030 0.000 0.996 961 L CA -0.446 54.416 54.840 0.036 0.000 0.825 961 L CB 1.526 43.609 42.059 0.040 0.000 1.243 961 L HN 0.516 nan 8.230 nan 0.000 0.412 962 V N 4.251 124.183 119.914 0.031 0.000 2.823 962 V HA 0.393 4.509 4.120 -0.005 0.000 0.312 962 V C -0.254 175.861 176.094 0.036 0.000 1.072 962 V CA -0.798 61.519 62.300 0.029 0.000 0.937 962 V CB 2.544 34.382 31.823 0.025 0.000 1.013 962 V HN 0.945 nan 8.190 nan 0.000 0.430 963 N N 3.385 122.106 118.700 0.035 0.000 2.418 963 N HA 0.217 4.954 4.740 -0.005 0.000 0.283 963 N C 0.463 176.002 175.510 0.048 0.000 1.267 963 N CA -0.555 52.523 53.050 0.047 0.000 0.975 963 N CB 0.293 38.804 38.487 0.040 0.000 1.167 963 N HN 0.319 nan 8.380 nan 0.000 0.581 964 L N -0.722 120.539 121.223 0.063 0.000 2.549 964 L HA 0.067 4.404 4.340 -0.005 0.000 0.229 964 L C 0.867 177.755 176.870 0.030 0.000 1.158 964 L CA 1.098 55.967 54.840 0.048 0.000 0.842 964 L CB -1.381 40.719 42.059 0.069 0.000 0.952 964 L HN 0.558 nan 8.230 nan 0.000 0.452 965 N N -0.588 118.129 118.700 0.029 0.000 2.236 965 N HA 0.148 4.884 4.740 -0.005 0.000 0.196 965 N C 1.325 176.844 175.510 0.016 0.000 1.114 965 N CA 0.792 53.854 53.050 0.020 0.000 0.859 965 N CB 0.594 39.092 38.487 0.019 0.000 0.982 965 N HN 0.252 nan 8.380 nan 0.000 0.493 966 G N 0.711 109.522 108.800 0.018 0.000 2.143 966 G HA2 -0.262 3.694 3.960 -0.005 0.000 0.249 966 G HA3 -0.262 3.694 3.960 -0.005 0.000 0.249 966 G C -0.246 174.663 174.900 0.015 0.000 0.981 966 G CA -0.009 45.100 45.100 0.015 0.000 0.665 966 G HN 0.421 nan 8.290 nan 0.000 0.528 967 E N -0.540 119.669 120.200 0.016 0.000 2.231 967 E HA 0.552 4.899 4.350 -0.005 0.000 0.277 967 E C 0.052 176.660 176.600 0.014 0.000 0.999 967 E CA -1.081 55.327 56.400 0.013 0.000 0.827 967 E CB 1.901 31.608 29.700 0.012 0.000 1.101 967 E HN 0.184 nan 8.360 nan 0.000 0.393 968 L N 4.305 125.536 121.223 0.012 0.000 2.418 968 L HA 0.070 4.407 4.340 -0.005 0.000 0.274 968 L C 0.479 177.355 176.870 0.011 0.000 1.135 968 L CA 0.661 55.509 54.840 0.013 0.000 0.870 968 L CB 0.192 42.257 42.059 0.010 0.000 1.154 968 L HN 0.672 nan 8.230 nan 0.000 0.462 969 I N 1.453 122.031 120.570 0.014 0.000 4.187 969 I HA 0.614 4.781 4.170 -0.005 0.000 0.326 969 I C 0.609 176.732 176.117 0.011 0.000 1.302 969 I CA 0.227 61.534 61.300 0.011 0.000 1.196 969 I CB 0.361 38.368 38.000 0.013 0.000 1.095 969 I HN 0.624 nan 8.210 nan 0.000 0.411 970 G N 1.456 110.268 108.800 0.019 0.000 2.519 970 G HA2 0.533 4.490 3.960 -0.005 0.000 0.292 970 G HA3 0.533 4.490 3.960 -0.005 0.000 0.292 970 G C -2.143 172.779 174.900 0.037 0.000 1.507 970 G CA -0.467 44.649 45.100 0.026 0.000 0.806 970 G HN -0.023 nan 8.290 nan 0.000 0.523 971 I N 1.038 121.636 120.570 0.046 0.000 2.362 971 I HA 0.304 4.470 4.170 -0.005 0.000 0.289 971 I C 0.140 176.315 176.117 0.096 0.000 0.994 971 I CA -1.032 60.302 61.300 0.057 0.000 1.158 971 I CB 1.396 39.423 38.000 0.044 0.000 1.315 971 I HN 0.448 nan 8.210 nan 0.000 0.451 972 N N 3.340 122.100 118.700 0.099 0.000 2.492 972 N HA 0.315 5.052 4.740 -0.005 0.000 0.262 972 N C -0.011 175.599 175.510 0.166 0.000 1.202 972 N CA 0.226 53.356 53.050 0.134 0.000 0.926 972 N CB 0.656 39.205 38.487 0.103 0.000 1.078 972 N HN 0.628 nan 8.380 nan 0.000 0.454 973 T N -0.156 114.524 114.554 0.210 0.000 2.858 973 T HA 0.763 5.110 4.350 -0.005 0.000 0.285 973 T C -1.550 173.220 174.700 0.117 0.000 1.052 973 T CA -0.798 61.432 62.100 0.218 0.000 1.009 973 T CB 0.970 70.010 68.868 0.287 0.000 1.241 973 T HN 0.426 nan 8.240 nan 0.000 0.542 974 A N 2.148 124.982 122.820 0.023 0.000 2.285 974 A HA 0.593 4.910 4.320 -0.005 0.000 0.310 974 A C 0.650 178.119 177.584 -0.191 0.000 1.266 974 A CA -0.786 51.150 52.037 -0.169 0.000 0.832 974 A CB -0.243 18.484 19.000 -0.456 0.000 1.163 974 A HN 0.891 nan 8.150 nan 0.000 0.499 975 I N 0.325 120.721 120.570 -0.290 0.000 3.862 975 I HA 0.382 4.549 4.170 -0.005 0.000 0.328 975 I C -0.682 175.265 176.117 -0.284 0.000 1.474 975 I CA 0.318 61.404 61.300 -0.357 0.000 1.215 975 I CB -0.283 37.307 38.000 -0.683 0.000 1.183 975 I HN 0.418 nan 8.210 nan 0.000 0.413 976 L N 2.375 123.464 121.223 -0.223 0.000 2.861 976 L HA 0.526 4.863 4.340 -0.005 0.000 0.290 976 L C 0.742 177.524 176.870 -0.148 0.000 1.346 976 L CA -0.472 54.263 54.840 -0.175 0.000 0.779 976 L CB 0.883 42.843 42.059 -0.164 0.000 1.143 976 L HN 0.408 nan 8.230 nan 0.000 0.548 977 A N 0.793 123.535 122.820 -0.129 0.000 2.561 977 A HA 0.370 4.687 4.320 -0.005 0.000 0.234 977 A C -1.604 175.935 177.584 -0.075 0.000 1.055 977 A CA -0.050 51.929 52.037 -0.097 0.000 0.756 977 A CB -0.483 18.480 19.000 -0.061 0.000 0.986 977 A HN 0.573 nan 8.150 nan 0.000 0.505 978 P HA -0.112 nan 4.420 nan 0.000 0.014 978 P C -0.206 177.052 177.300 -0.070 0.000 0.569 978 P CA 1.513 64.577 63.100 -0.060 0.000 1.035 978 P CB -0.385 31.287 31.700 -0.047 0.000 1.909 979 D N -1.103 119.238 120.400 -0.098 0.000 3.084 979 D HA 0.268 4.905 4.640 -0.005 0.000 0.294 979 D C 0.867 177.084 176.300 -0.137 0.000 1.165 979 D CA 1.617 55.559 54.000 -0.097 0.000 1.008 979 D CB 0.752 41.499 40.800 -0.087 0.000 1.266 979 D HN 0.298 nan 8.370 nan 0.000 0.449 980 G N -0.013 108.640 108.800 -0.246 0.000 2.767 980 G HA2 0.377 4.334 3.960 -0.005 0.000 0.686 980 G HA3 0.377 4.334 3.960 -0.005 0.000 0.686 980 G C 0.239 175.041 174.900 -0.164 0.000 1.213 980 G CA -0.315 44.592 45.100 -0.321 0.000 0.803 980 G HN 0.948 nan 8.290 nan 0.000 0.603 981 G N 1.395 110.111 108.800 -0.140 0.000 2.592 981 G HA2 0.457 4.413 3.960 -0.005 0.000 0.685 981 G HA3 0.457 4.413 3.960 -0.005 0.000 0.685 981 G C -0.416 174.430 174.900 -0.091 0.000 1.278 981 G CA 0.260 45.308 45.100 -0.087 0.000 0.822 981 G HN 2.112 nan 8.290 nan 0.000 0.652 982 N N 0.610 119.278 118.700 -0.054 0.000 2.485 982 N HA 0.482 5.219 4.740 -0.005 0.000 0.280 982 N C 1.324 176.809 175.510 -0.042 0.000 1.205 982 N CA -0.580 52.442 53.050 -0.046 0.000 0.959 982 N CB 2.388 40.883 38.487 0.012 0.000 1.206 982 N HN 0.738 nan 8.380 nan 0.000 0.545 983 I N -1.838 118.703 120.570 -0.048 0.000 3.226 983 I HA 0.115 4.282 4.170 -0.005 0.000 0.277 983 I C 0.796 176.927 176.117 0.024 0.000 1.243 983 I CA 0.993 62.272 61.300 -0.036 0.000 1.459 983 I CB -0.208 37.741 38.000 -0.085 0.000 1.093 983 I HN 0.891 nan 8.210 nan 0.000 0.453 984 G N 1.317 110.150 108.800 0.056 0.000 3.110 984 G HA2 -0.025 3.932 3.960 -0.005 0.000 0.205 984 G HA3 -0.025 3.932 3.960 -0.005 0.000 0.205 984 G C -0.029 174.918 174.900 0.077 0.000 1.019 984 G CA 0.053 45.189 45.100 0.059 0.000 0.826 984 G HN 0.305 nan 8.290 nan 0.000 0.481 985 I N 0.646 121.293 120.570 0.128 0.000 3.264 985 I HA 0.722 4.889 4.170 -0.005 0.000 0.315 985 I C -0.006 176.223 176.117 0.187 0.000 1.154 985 I CA -0.879 60.486 61.300 0.109 0.000 0.962 985 I CB 2.130 40.163 38.000 0.054 0.000 1.265 985 I HN 0.162 nan 8.210 nan 0.000 0.463 986 G N 2.271 111.123 108.800 0.087 0.000 2.356 986 G HA2 0.591 4.548 3.960 -0.005 0.000 0.322 986 G HA3 0.591 4.548 3.960 -0.005 0.000 0.322 986 G C -1.637 173.282 174.900 0.032 0.000 1.125 986 G CA -0.202 44.983 45.100 0.143 0.000 0.885 986 G HN 0.256 nan 8.290 nan 0.000 0.467 987 F N 1.277 121.226 119.950 -0.002 0.000 2.402 987 F HA 0.657 5.181 4.527 -0.005 0.000 0.355 987 F C 0.561 176.460 175.800 0.164 0.000 1.123 987 F CA -0.903 57.114 58.000 0.030 0.000 1.021 987 F CB 2.129 41.030 39.000 -0.165 0.000 1.160 987 F HN 0.623 nan 8.300 nan 0.000 0.451 988 A N 4.159 127.168 122.820 0.315 0.000 2.374 988 A HA 0.808 5.125 4.320 -0.005 0.000 0.317 988 A C -0.686 177.048 177.584 0.250 0.000 1.094 988 A CA -0.731 51.465 52.037 0.266 0.000 0.765 988 A CB 0.993 20.072 19.000 0.132 0.000 1.268 988 A HN 0.543 nan 8.150 nan 0.000 0.438 989 I N 2.763 123.415 120.570 0.138 0.000 2.529 989 I HA 0.239 4.405 4.170 -0.005 0.000 0.284 989 I C -2.008 174.095 176.117 -0.022 0.000 1.082 989 I CA -1.839 59.436 61.300 -0.042 0.000 1.406 989 I CB 0.670 38.633 38.000 -0.063 0.000 1.405 989 I HN 0.406 nan 8.210 nan 0.000 0.548 990 P HA 0.067 nan 4.420 nan 0.000 0.271 990 P C 0.819 178.102 177.300 -0.028 0.000 1.218 990 P CA -0.180 62.901 63.100 -0.031 0.000 0.780 990 P CB 0.691 32.367 31.700 -0.040 0.000 0.901 991 S N 2.444 118.136 115.700 -0.014 0.000 2.380 991 S HA -0.287 4.180 4.470 -0.005 0.000 0.229 991 S C 1.487 176.075 174.600 -0.020 0.000 1.043 991 S CA 1.817 60.010 58.200 -0.012 0.000 1.038 991 S CB -1.537 61.660 63.200 -0.005 0.000 0.872 991 S HN 0.512 nan 8.310 nan 0.000 0.456 992 N N 0.644 119.330 118.700 -0.023 0.000 2.166 992 N HA -0.072 4.665 4.740 -0.005 0.000 0.186 992 N C 1.795 177.285 175.510 -0.033 0.000 1.019 992 N CA 1.515 54.550 53.050 -0.025 0.000 0.856 992 N CB -0.246 38.227 38.487 -0.023 0.000 0.993 992 N HN 0.401 nan 8.380 nan 0.000 0.426 993 M N 0.908 120.481 119.600 -0.045 0.000 2.200 993 M HA -0.028 4.449 4.480 -0.005 0.000 0.265 993 M C 1.668 177.939 176.300 -0.050 0.000 1.066 993 M CA 1.187 56.453 55.300 -0.057 0.000 1.127 993 M CB -0.086 32.460 32.600 -0.089 0.000 1.379 993 M HN -0.125 nan 8.290 nan 0.000 0.420 994 V N 0.550 120.438 119.914 -0.043 0.000 2.343 994 V HA -0.296 3.821 4.120 -0.005 0.000 0.247 994 V C 2.439 178.512 176.094 -0.036 0.000 1.051 994 V CA 2.233 64.512 62.300 -0.035 0.000 1.036 994 V CB -1.212 30.597 31.823 -0.023 0.000 0.654 994 V HN 0.578 nan 8.190 nan 0.000 0.451 995 K N 0.777 121.158 120.400 -0.032 0.000 2.032 995 K HA -0.292 4.025 4.320 -0.005 0.000 0.209 995 K C 2.077 178.654 176.600 -0.037 0.000 1.048 995 K CA 2.331 58.599 56.287 -0.032 0.000 0.927 995 K CB -0.314 32.171 32.500 -0.024 0.000 0.712 995 K HN 0.515 nan 8.250 nan 0.000 0.441 996 N N 0.301 118.982 118.700 -0.032 0.000 2.084 996 N HA -0.149 4.588 4.740 -0.005 0.000 0.190 996 N C 1.883 177.379 175.510 -0.023 0.000 1.030 996 N CA 1.399 54.434 53.050 -0.025 0.000 0.849 996 N CB -0.088 38.386 38.487 -0.021 0.000 1.012 996 N HN 0.172 nan 8.380 nan 0.000 0.423 997 L N -0.809 120.396 121.223 -0.030 0.000 2.141 997 L HA -0.095 4.242 4.340 -0.005 0.000 0.209 997 L C 2.430 179.276 176.870 -0.039 0.000 1.094 997 L CA 1.094 55.918 54.840 -0.026 0.000 0.763 997 L CB -0.691 41.349 42.059 -0.033 0.000 0.908 997 L HN 0.277 nan 8.230 nan 0.000 0.437 998 T N -1.175 113.344 114.554 -0.059 0.000 2.777 998 T HA -0.143 4.204 4.350 -0.005 0.000 0.266 998 T C 2.114 176.736 174.700 -0.131 0.000 1.040 998 T CA 1.690 63.732 62.100 -0.096 0.000 1.141 998 T CB 0.020 68.832 68.868 -0.093 0.000 0.868 998 T HN 0.302 nan 8.240 nan 0.000 0.444 999 S N 1.223 116.859 115.700 -0.107 0.000 2.382 999 S HA -0.120 4.347 4.470 -0.005 0.000 0.228 999 S C 2.111 176.624 174.600 -0.145 0.000 1.027 999 S CA 1.032 59.154 58.200 -0.131 0.000 0.991 999 S CB -0.319 62.825 63.200 -0.095 0.000 0.823 999 S HN 0.571 nan 8.310 nan 0.000 0.469 1000 Q N 0.670 120.434 119.800 -0.059 0.000 2.061 1000 Q HA -0.087 4.250 4.340 -0.005 0.000 0.204 1000 Q C 2.301 178.303 176.000 0.005 0.000 0.984 1000 Q CA 1.445 57.271 55.803 0.038 0.000 0.846 1000 Q CB -0.358 28.471 28.738 0.152 0.000 0.902 1000 Q HN 0.593 nan 8.270 nan 0.000 0.421 1001 M N -0.272 119.305 119.600 -0.038 0.000 2.108 1001 M HA -0.180 4.296 4.480 -0.005 0.000 0.261 1001 M C 2.249 178.487 176.300 -0.103 0.000 1.066 1001 M CA 1.172 56.441 55.300 -0.051 0.000 1.107 1001 M CB -0.597 31.954 32.600 -0.081 0.000 1.356 1001 M HN 0.060 nan 8.290 nan 0.000 0.406 1002 V N 1.138 120.939 119.914 -0.189 0.000 2.216 1002 V HA -0.249 3.868 4.120 -0.005 0.000 0.243 1002 V C 1.753 177.743 176.094 -0.173 0.000 1.044 1002 V CA 2.114 64.286 62.300 -0.213 0.000 0.995 1002 V CB -0.720 30.938 31.823 -0.274 0.000 0.633 1002 V HN 0.507 nan 8.190 nan 0.000 0.446 1003 E N -1.866 118.161 120.200 -0.289 0.000 2.485 1003 E HA -0.029 4.317 4.350 -0.005 0.000 0.194 1003 E C 0.701 176.942 176.600 -0.597 0.000 1.098 1003 E CA 0.624 56.756 56.400 -0.448 0.000 0.878 1003 E CB -0.017 29.310 29.700 -0.622 0.000 0.939 1003 E HN 0.832 nan 8.360 nan 0.000 0.503 1004 Y N -2.521 117.765 120.300 -0.024 0.000 2.463 1004 Y HA 0.229 4.775 4.550 -0.005 0.000 0.288 1004 Y C 1.651 177.540 175.900 -0.018 0.000 1.041 1004 Y CA -0.289 57.800 58.100 -0.019 0.000 1.054 1004 Y CB 1.457 39.904 38.460 -0.022 0.000 1.380 1004 Y HN 0.130 nan 8.280 nan 0.000 0.581 1005 G N 1.001 109.864 108.800 0.106 0.000 2.284 1005 G HA2 -0.191 3.766 3.960 -0.005 0.000 0.216 1005 G HA3 -0.191 3.766 3.960 -0.005 0.000 0.216 1005 G C 0.030 174.959 174.900 0.049 0.000 1.009 1005 G CA 0.242 45.377 45.100 0.059 0.000 0.625 1005 G HN 0.421 nan 8.290 nan 0.000 0.501 1006 Q N -0.862 118.988 119.800 0.084 0.000 2.738 1006 Q HA 0.622 4.958 4.340 -0.005 0.000 0.301 1006 Q C -0.542 175.506 176.000 0.081 0.000 0.901 1006 Q CA -0.557 55.277 55.803 0.053 0.000 0.756 1006 Q CB 1.778 30.531 28.738 0.026 0.000 1.463 1006 Q HN 1.180 nan 8.270 nan 0.000 0.432 1007 V N -0.546 119.393 119.914 0.041 0.000 2.498 1007 V HA 0.464 4.581 4.120 -0.005 0.000 0.279 1007 V C -0.179 175.913 176.094 -0.003 0.000 1.048 1007 V CA -0.794 61.529 62.300 0.038 0.000 0.967 1007 V CB 0.826 32.657 31.823 0.015 0.000 0.988 1007 V HN 0.674 nan 8.190 nan 0.000 0.473 1008 K N 4.827 125.210 120.400 -0.028 0.000 2.081 1008 K HA 0.189 4.506 4.320 -0.005 0.000 0.230 1008 K C 0.375 176.941 176.600 -0.057 0.000 1.199 1008 K CA 0.337 56.572 56.287 -0.087 0.000 1.130 1008 K CB -0.446 31.960 32.500 -0.158 0.000 1.386 1008 K HN 0.915 nan 8.250 nan 0.000 0.280 1009 R N 0.297 120.771 120.500 -0.044 0.000 2.409 1009 R HA 0.552 4.888 4.340 -0.005 0.000 0.313 1009 R C -0.044 176.233 176.300 -0.039 0.000 0.953 1009 R CA -0.897 55.180 56.100 -0.038 0.000 0.849 1009 R CB 1.247 31.529 30.300 -0.029 0.000 1.171 1009 R HN 0.300 nan 8.270 nan 0.000 0.458 1010 G N 2.602 111.378 108.800 -0.041 0.000 2.415 1010 G HA2 0.260 4.217 3.960 -0.005 0.000 0.269 1010 G HA3 0.260 4.217 3.960 -0.005 0.000 0.269 1010 G C -0.573 174.307 174.900 -0.034 0.000 1.209 1010 G CA -0.665 44.413 45.100 -0.038 0.000 0.835 1010 G HN 0.791 nan 8.290 nan 0.000 0.534 1011 E N 1.221 121.405 120.200 -0.028 0.000 2.207 1011 E HA 0.373 4.720 4.350 -0.005 0.000 0.270 1011 E C -0.077 176.511 176.600 -0.021 0.000 0.927 1011 E CA -0.998 55.387 56.400 -0.024 0.000 0.799 1011 E CB 1.847 31.538 29.700 -0.014 0.000 1.172 1011 E HN 0.259 nan 8.360 nan 0.000 0.404 1012 L N 2.606 123.816 121.223 -0.021 0.000 2.591 1012 L HA 0.256 4.593 4.340 -0.005 0.000 0.228 1012 L C 1.367 178.237 176.870 0.000 0.000 1.133 1012 L CA 1.504 56.336 54.840 -0.014 0.000 0.880 1012 L CB -0.527 41.521 42.059 -0.019 0.000 1.033 1012 L HN 1.065 nan 8.230 nan 0.000 0.450 1013 G N 0.408 109.211 108.800 0.005 0.000 2.212 1013 G HA2 -0.348 3.609 3.960 -0.005 0.000 0.267 1013 G HA3 -0.348 3.609 3.960 -0.005 0.000 0.267 1013 G C 0.461 175.375 174.900 0.024 0.000 1.002 1013 G CA 0.930 46.037 45.100 0.012 0.000 0.729 1013 G HN 0.604 nan 8.290 nan 0.000 0.517 1014 I N -2.462 118.137 120.570 0.048 0.000 2.934 1014 I HA 0.887 5.054 4.170 -0.005 0.000 0.315 1014 I C 0.292 176.476 176.117 0.111 0.000 0.997 1014 I CA -1.430 59.907 61.300 0.062 0.000 1.184 1014 I CB 1.123 39.179 38.000 0.094 0.000 1.400 1014 I HN 0.024 nan 8.210 nan 0.000 0.549 1015 M N 2.620 122.257 119.600 0.062 0.000 2.433 1015 M HA 0.736 5.212 4.480 -0.005 0.000 0.290 1015 M C -0.280 175.925 176.300 -0.159 0.000 1.173 1015 M CA -0.396 54.924 55.300 0.033 0.000 0.905 1015 M CB 2.084 34.673 32.600 -0.018 0.000 1.692 1015 M HN 1.105 nan 8.290 nan 0.000 0.462 1016 G N 1.025 109.537 108.800 -0.479 0.000 2.335 1016 G HA2 0.649 4.605 3.960 -0.005 0.000 0.291 1016 G HA3 0.649 4.605 3.960 -0.005 0.000 0.291 1016 G C -1.081 173.093 174.900 -1.209 0.000 1.261 1016 G CA 0.211 44.910 45.100 -0.668 0.000 0.871 1016 G HN 0.827 nan 8.290 nan 0.000 0.491 1017 T N -3.082 111.011 114.554 -0.768 0.000 2.611 1017 T HA 0.681 5.028 4.350 -0.005 0.000 0.269 1017 T C -0.808 173.844 174.700 -0.081 0.000 1.032 1017 T CA -0.541 61.223 62.100 -0.560 0.000 1.178 1017 T CB 1.361 70.066 68.868 -0.271 0.000 1.651 1017 T HN 0.533 nan 8.240 nan 0.000 0.456 1018 E N 0.346 120.561 120.200 0.026 0.000 2.405 1018 E HA 0.407 4.754 4.350 -0.005 0.000 0.253 1018 E C 0.603 177.257 176.600 0.090 0.000 1.257 1018 E CA -0.515 55.940 56.400 0.091 0.000 0.960 1018 E CB 0.347 30.085 29.700 0.063 0.000 1.077 1018 E HN 0.552 nan 8.360 nan 0.000 0.512 1019 L N 1.574 122.816 121.223 0.031 0.000 2.653 1019 L HA 0.104 4.441 4.340 -0.005 0.000 0.232 1019 L C 1.142 177.968 176.870 -0.073 0.000 1.169 1019 L CA 0.039 54.839 54.840 -0.067 0.000 0.951 1019 L CB -0.176 41.838 42.059 -0.075 0.000 1.181 1019 L HN 0.184 nan 8.230 nan 0.000 0.460 1020 N N -0.817 117.867 118.700 -0.027 0.000 2.407 1020 N HA 0.013 4.749 4.740 -0.005 0.000 0.182 1020 N C 0.856 176.354 175.510 -0.019 0.000 1.079 1020 N CA 0.269 53.303 53.050 -0.027 0.000 0.882 1020 N CB 0.308 38.789 38.487 -0.011 0.000 1.106 1020 N HN 0.256 nan 8.380 nan 0.000 0.461 1021 S N 1.432 117.136 115.700 0.007 0.000 2.542 1021 S HA -0.073 4.393 4.470 -0.005 0.000 0.287 1021 S C 1.156 175.766 174.600 0.016 0.000 1.315 1021 S CA 0.052 58.267 58.200 0.025 0.000 1.037 1021 S CB 0.647 63.894 63.200 0.078 0.000 0.822 1021 S HN 0.222 nan 8.310 nan 0.000 0.513 1022 E N 1.003 121.211 120.200 0.015 0.000 2.209 1022 E HA -0.137 4.210 4.350 -0.005 0.000 0.196 1022 E C 1.624 178.241 176.600 0.028 0.000 0.993 1022 E CA 1.248 57.652 56.400 0.008 0.000 0.819 1022 E CB -0.428 29.273 29.700 0.002 0.000 0.745 1022 E HN 0.638 nan 8.360 nan 0.000 0.477 1023 L N 0.145 121.419 121.223 0.084 0.000 2.313 1023 L HA 0.003 4.340 4.340 -0.005 0.000 0.214 1023 L C 2.373 179.347 176.870 0.173 0.000 1.119 1023 L CA 0.421 55.360 54.840 0.166 0.000 0.809 1023 L CB -0.219 41.983 42.059 0.238 0.000 0.933 1023 L HN 0.132 nan 8.230 nan 0.000 0.449 1024 A N -0.071 122.745 122.820 -0.007 0.000 2.067 1024 A HA -0.086 4.231 4.320 -0.005 0.000 0.217 1024 A C 2.260 179.694 177.584 -0.250 0.000 1.156 1024 A CA 0.917 52.685 52.037 -0.448 0.000 0.683 1024 A CB -0.008 18.703 19.000 -0.481 0.000 0.808 1024 A HN 0.278 nan 8.150 nan 0.000 0.455 1025 K N -0.559 119.773 120.400 -0.113 0.000 2.121 1025 K HA 0.216 4.532 4.320 -0.005 0.000 0.203 1025 K C 2.113 178.683 176.600 -0.049 0.000 1.041 1025 K CA 0.752 56.992 56.287 -0.079 0.000 0.969 1025 K CB -0.188 32.280 32.500 -0.052 0.000 0.799 1025 K HN 0.298 nan 8.250 nan 0.000 0.456 1026 A N 0.950 123.757 122.820 -0.021 0.000 2.234 1026 A HA -0.083 4.234 4.320 -0.005 0.000 0.216 1026 A C 1.691 179.277 177.584 0.003 0.000 1.167 1026 A CA 1.342 53.376 52.037 -0.004 0.000 0.698 1026 A CB -0.421 18.585 19.000 0.011 0.000 0.779 1026 A HN 0.240 nan 8.150 nan 0.000 0.475 1027 M N -1.053 118.544 119.600 -0.006 0.000 2.300 1027 M HA 0.135 4.612 4.480 -0.005 0.000 0.313 1027 M C -0.758 175.517 176.300 -0.040 0.000 0.988 1027 M CA -0.192 55.112 55.300 0.006 0.000 1.012 1027 M CB 0.534 33.182 32.600 0.080 0.000 1.586 1027 M HN 0.194 nan 8.290 nan 0.000 0.562 1028 K N 2.114 122.470 120.400 -0.072 0.000 5.530 1028 K HA -0.120 4.196 4.320 -0.005 0.000 0.493 1028 K C -0.505 176.029 176.600 -0.111 0.000 1.192 1028 K CA 0.230 56.466 56.287 -0.086 0.000 1.270 1028 K CB -1.606 30.863 32.500 -0.051 0.000 1.888 1028 K HN 0.330 nan 8.250 nan 0.000 0.326 1029 V N -0.355 119.452 119.914 -0.178 0.000 2.407 1029 V HA 0.301 4.418 4.120 -0.005 0.000 0.278 1029 V C 0.468 176.490 176.094 -0.121 0.000 1.037 1029 V CA -0.946 61.240 62.300 -0.191 0.000 0.900 1029 V CB 1.560 33.159 31.823 -0.373 0.000 0.983 1029 V HN 0.410 nan 8.190 nan 0.000 0.459 1030 D N 3.698 124.052 120.400 -0.075 0.000 2.341 1030 D HA 0.469 5.106 4.640 -0.005 0.000 0.245 1030 D C 0.827 177.100 176.300 -0.045 0.000 1.106 1030 D CA 1.056 55.027 54.000 -0.049 0.000 0.905 1030 D CB 1.515 42.297 40.800 -0.029 0.000 1.202 1030 D HN 1.505 nan 8.370 nan 0.000 0.426 1031 A N 2.542 125.341 122.820 -0.035 0.000 1.786 1031 A HA -0.251 4.065 4.320 -0.005 0.000 0.237 1031 A C -0.102 177.462 177.584 -0.033 0.000 1.309 1031 A CA 0.532 52.554 52.037 -0.026 0.000 0.713 1031 A CB -1.535 17.456 19.000 -0.014 0.000 1.194 1031 A HN 0.537 nan 8.150 nan 0.000 0.252 1032 Q N 0.696 120.472 119.800 -0.040 0.000 2.398 1032 Q HA 0.570 4.907 4.340 -0.005 0.000 0.251 1032 Q C 0.200 176.188 176.000 -0.020 0.000 0.999 1032 Q CA -0.245 55.531 55.803 -0.045 0.000 0.874 1032 Q CB 0.836 29.533 28.738 -0.069 0.000 1.215 1032 Q HN 0.819 nan 8.270 nan 0.000 0.470 1033 R N 0.403 120.900 120.500 -0.004 0.000 2.812 1033 R HA 0.497 4.833 4.340 -0.005 0.000 0.179 1033 R C -0.570 175.747 176.300 0.028 0.000 1.407 1033 R CA -0.350 55.756 56.100 0.011 0.000 1.031 1033 R CB -0.245 30.059 30.300 0.007 0.000 1.491 1033 R HN 0.642 nan 8.270 nan 0.000 0.619 1034 G N -0.109 108.719 108.800 0.047 0.000 2.348 1034 G HA2 0.603 4.560 3.960 -0.005 0.000 0.296 1034 G HA3 0.603 4.560 3.960 -0.005 0.000 0.296 1034 G C -1.599 173.376 174.900 0.124 0.000 1.258 1034 G CA -0.356 44.789 45.100 0.074 0.000 0.868 1034 G HN 0.544 nan 8.290 nan 0.000 0.488 1035 A N -0.176 122.743 122.820 0.165 0.000 2.260 1035 A HA 0.681 4.998 4.320 -0.005 0.000 0.308 1035 A C -0.697 177.063 177.584 0.293 0.000 1.254 1035 A CA -0.496 51.701 52.037 0.266 0.000 0.874 1035 A CB 0.239 19.429 19.000 0.317 0.000 1.153 1035 A HN 1.118 nan 8.150 nan 0.000 0.527 1036 F N 3.830 123.817 119.950 0.063 0.000 2.445 1036 F HA 0.403 4.926 4.527 -0.006 0.000 0.359 1036 F C -0.094 175.696 175.800 -0.016 0.000 1.101 1036 F CA -0.695 57.307 58.000 0.004 0.000 1.177 1036 F CB 0.897 39.873 39.000 -0.040 0.000 1.110 1036 F HN 0.305 nan 8.300 nan 0.000 0.522 1037 V N 6.839 126.656 119.914 -0.162 0.000 2.356 1037 V HA -0.019 4.097 4.120 -0.005 0.000 0.258 1037 V C 0.778 176.449 176.094 -0.704 0.000 1.065 1037 V CA 0.220 62.336 62.300 -0.307 0.000 0.935 1037 V CB 0.642 32.412 31.823 -0.088 0.000 1.061 1037 V HN 0.951 nan 8.190 nan 0.000 0.484 1038 S N 4.139 119.422 115.700 -0.695 0.000 2.436 1038 S HA 0.026 4.493 4.470 -0.005 0.000 0.228 1038 S C 0.603 175.007 174.600 -0.326 0.000 1.014 1038 S CA 0.914 58.740 58.200 -0.624 0.000 0.950 1038 S CB 0.057 62.979 63.200 -0.464 0.000 0.784 1038 S HN 0.947 nan 8.310 nan 0.000 0.504 1039 Q N -0.778 118.883 119.800 -0.231 0.000 2.617 1039 Q HA 0.519 4.856 4.340 -0.005 0.000 0.270 1039 Q C -1.611 174.338 176.000 -0.084 0.000 0.967 1039 Q CA -0.833 54.890 55.803 -0.133 0.000 0.887 1039 Q CB 1.447 30.120 28.738 -0.108 0.000 1.516 1039 Q HN -0.015 nan 8.270 nan 0.000 0.395 1040 V N 3.409 123.289 119.914 -0.056 0.000 2.370 1040 V HA 0.436 4.553 4.120 -0.005 0.000 0.279 1040 V C -0.353 175.727 176.094 -0.024 0.000 1.029 1040 V CA -0.707 61.575 62.300 -0.030 0.000 0.870 1040 V CB 1.053 32.862 31.823 -0.022 0.000 0.984 1040 V HN 0.812 nan 8.190 nan 0.000 0.451 1041 L N 9.039 130.253 121.223 -0.014 0.000 2.485 1041 L HA 0.258 4.595 4.340 -0.005 0.000 0.275 1041 L C -1.924 174.939 176.870 -0.012 0.000 1.207 1041 L CA -1.226 53.606 54.840 -0.012 0.000 0.855 1041 L CB 0.854 42.911 42.059 -0.004 0.000 1.114 1041 L HN 0.535 nan 8.230 nan 0.000 0.485 1042 P HA -0.001 nan 4.420 nan 0.000 0.269 1042 P C -0.244 177.050 177.300 -0.011 0.000 1.215 1042 P CA 0.041 63.134 63.100 -0.012 0.000 0.780 1042 P CB 0.235 31.927 31.700 -0.013 0.000 0.898 1043 N N -2.027 116.666 118.700 -0.010 0.000 2.666 1043 N HA -0.194 4.542 4.740 -0.005 0.000 0.248 1043 N C -0.093 175.411 175.510 -0.010 0.000 1.118 1043 N CA 0.427 53.471 53.050 -0.010 0.000 0.722 1043 N CB -0.961 37.520 38.487 -0.011 0.000 1.050 1043 N HN 0.550 nan 8.380 nan 0.000 0.550 1044 S N -2.107 113.588 115.700 -0.009 0.000 2.730 1044 S HA 0.449 4.916 4.470 -0.005 0.000 0.284 1044 S C 1.141 175.736 174.600 -0.009 0.000 1.153 1044 S CA -0.214 57.981 58.200 -0.009 0.000 0.995 1044 S CB 1.999 65.195 63.200 -0.007 0.000 1.058 1044 S HN 0.081 nan 8.310 nan 0.000 0.552 1045 S N -0.123 115.571 115.700 -0.009 0.000 2.425 1045 S HA 0.082 4.549 4.470 -0.005 0.000 0.225 1045 S C 1.972 176.568 174.600 -0.007 0.000 1.024 1045 S CA 0.776 58.971 58.200 -0.009 0.000 0.951 1045 S CB -1.109 62.084 63.200 -0.012 0.000 0.796 1045 S HN 0.891 nan 8.310 nan 0.000 0.498 1046 A N 1.435 124.253 122.820 -0.005 0.000 1.898 1046 A HA 0.233 4.550 4.320 -0.005 0.000 0.216 1046 A C 2.399 179.981 177.584 -0.003 0.000 1.181 1046 A CA 1.751 53.787 52.037 -0.002 0.000 0.620 1046 A CB -1.306 17.695 19.000 0.003 0.000 0.819 1046 A HN 0.674 nan 8.150 nan 0.000 0.442 1047 A N -0.197 122.620 122.820 -0.005 0.000 1.841 1047 A HA -0.129 4.187 4.320 -0.005 0.000 0.214 1047 A C 2.188 179.769 177.584 -0.006 0.000 1.195 1047 A CA 2.000 54.033 52.037 -0.007 0.000 0.611 1047 A CB -0.536 18.459 19.000 -0.009 0.000 0.835 1047 A HN 0.343 nan 8.150 nan 0.000 0.443 1048 K N 0.250 120.646 120.400 -0.007 0.000 1.987 1048 K HA -0.180 4.137 4.320 -0.005 0.000 0.216 1048 K C 2.164 178.760 176.600 -0.006 0.000 1.051 1048 K CA 2.083 58.366 56.287 -0.007 0.000 0.942 1048 K CB -0.908 31.587 32.500 -0.008 0.000 0.722 1048 K HN 0.363 nan 8.250 nan 0.000 0.444 1049 A N -0.076 122.741 122.820 -0.005 0.000 1.972 1049 A HA 0.083 4.399 4.320 -0.005 0.000 0.219 1049 A C 0.865 178.447 177.584 -0.002 0.000 1.169 1049 A CA 1.725 53.759 52.037 -0.004 0.000 0.635 1049 A CB -0.519 18.479 19.000 -0.004 0.000 0.810 1049 A HN 0.630 nan 8.150 nan 0.000 0.446 1050 G N -1.741 107.058 108.800 -0.002 0.000 2.957 1050 G HA2 0.366 4.323 3.960 -0.005 0.000 0.636 1050 G HA3 0.366 4.323 3.960 -0.005 0.000 0.636 1050 G C -0.949 173.952 174.900 0.002 0.000 1.401 1050 G CA -0.267 44.833 45.100 0.000 0.000 0.941 1050 G HN 0.847 nan 8.290 nan 0.000 0.610 1051 I N 0.462 121.034 120.570 0.002 0.000 2.397 1051 I HA 0.278 4.445 4.170 -0.005 0.000 0.311 1051 I C -1.097 175.020 176.117 0.000 0.000 2.151 1051 I CA -0.944 60.359 61.300 0.005 0.000 0.931 1051 I CB 2.178 40.182 38.000 0.006 0.000 1.653 1051 I HN 0.642 nan 8.210 nan 0.000 0.634 1052 K N 3.105 123.506 120.400 0.002 0.000 2.523 1052 K HA 0.729 5.046 4.320 -0.005 0.000 0.257 1052 K C -0.644 175.950 176.600 -0.011 0.000 0.932 1052 K CA -0.709 55.574 56.287 -0.006 0.000 0.812 1052 K CB 2.371 34.871 32.500 -0.000 0.000 1.326 1052 K HN 0.662 nan 8.250 nan 0.000 0.433 1053 A N 0.930 123.726 122.820 -0.040 0.000 2.609 1053 A HA 0.322 4.638 4.320 -0.005 0.000 0.232 1053 A C 1.225 178.801 177.584 -0.013 0.000 1.041 1053 A CA 1.801 53.788 52.037 -0.085 0.000 0.753 1053 A CB -0.671 18.258 19.000 -0.118 0.000 0.966 1053 A HN 1.034 nan 8.150 nan 0.000 0.510 1054 G N 1.505 110.314 108.800 0.015 0.000 2.604 1054 G HA2 -0.191 3.766 3.960 -0.005 0.000 0.205 1054 G HA3 -0.191 3.766 3.960 -0.005 0.000 0.205 1054 G C -0.009 175.071 174.900 0.300 0.000 1.186 1054 G CA 0.183 45.460 45.100 0.295 0.000 0.753 1054 G HN 0.933 nan 8.290 nan 0.000 0.526 1055 D N 1.312 121.801 120.400 0.148 0.000 2.548 1055 D HA 0.333 4.970 4.640 -0.005 0.000 0.231 1055 D C 0.397 176.800 176.300 0.171 0.000 1.142 1055 D CA 0.715 54.788 54.000 0.122 0.000 0.866 1055 D CB 1.693 42.537 40.800 0.072 0.000 1.190 1055 D HN 0.362 nan 8.370 nan 0.000 0.469 1056 V N 3.600 123.601 119.914 0.145 0.000 2.334 1056 V HA 0.154 4.271 4.120 -0.005 0.000 0.281 1056 V C 0.489 176.646 176.094 0.104 0.000 1.016 1056 V CA -0.919 61.477 62.300 0.159 0.000 0.832 1056 V CB 1.025 32.919 31.823 0.119 0.000 0.999 1056 V HN 0.299 nan 8.190 nan 0.000 0.439 1057 I N 4.384 125.018 120.570 0.106 0.000 2.710 1057 I HA 0.073 4.240 4.170 -0.005 0.000 0.286 1057 I C 1.463 177.617 176.117 0.061 0.000 1.181 1057 I CA 1.117 62.460 61.300 0.073 0.000 1.430 1057 I CB 0.873 38.914 38.000 0.067 0.000 1.367 1057 I HN 0.689 nan 8.210 nan 0.000 0.577 1058 T N 2.323 116.902 114.554 0.042 0.000 2.969 1058 T HA 0.190 4.537 4.350 -0.005 0.000 0.250 1058 T C 0.292 175.006 174.700 0.023 0.000 1.021 1058 T CA 0.359 62.478 62.100 0.032 0.000 1.003 1058 T CB 0.110 68.993 68.868 0.025 0.000 1.040 1058 T HN 0.731 nan 8.240 nan 0.000 0.492 1059 S N 0.394 116.105 115.700 0.019 0.000 2.625 1059 S HA 0.729 5.196 4.470 -0.005 0.000 0.271 1059 S C -1.806 172.797 174.600 0.006 0.000 1.161 1059 S CA -0.978 57.228 58.200 0.010 0.000 0.820 1059 S CB 1.845 65.050 63.200 0.008 0.000 1.137 1059 S HN 0.166 nan 8.310 nan 0.000 0.470 1060 L N 1.735 122.957 121.223 -0.001 0.000 2.504 1060 L HA 0.479 4.816 4.340 -0.005 0.000 0.265 1060 L C -1.130 175.736 176.870 -0.007 0.000 0.975 1060 L CA -0.332 54.504 54.840 -0.006 0.000 0.864 1060 L CB 0.870 42.920 42.059 -0.015 0.000 1.212 1060 L HN 0.949 nan 8.230 nan 0.000 0.416 1061 N N 3.668 122.364 118.700 -0.006 0.000 2.746 1061 N HA -0.186 4.551 4.740 -0.005 0.000 0.250 1061 N C 0.876 176.384 175.510 -0.004 0.000 1.055 1061 N CA 1.382 54.429 53.050 -0.006 0.000 0.699 1061 N CB -1.031 37.450 38.487 -0.009 0.000 0.919 1061 N HN 1.128 nan 8.380 nan 0.000 0.548 1062 G N -1.704 107.095 108.800 -0.002 0.000 2.458 1062 G HA2 -0.405 3.551 3.960 -0.005 0.000 0.237 1062 G HA3 -0.405 3.551 3.960 -0.005 0.000 0.237 1062 G C 0.185 175.085 174.900 0.000 0.000 1.113 1062 G CA 0.890 45.990 45.100 -0.001 0.000 0.655 1062 G HN 0.529 nan 8.290 nan 0.000 0.513 1063 K N 2.258 122.657 120.400 -0.001 0.000 2.298 1063 K HA 0.509 4.825 4.320 -0.005 0.000 0.280 1063 K C -2.374 174.227 176.600 0.002 0.000 1.032 1063 K CA -1.554 54.733 56.287 -0.001 0.000 0.958 1063 K CB 0.722 33.220 32.500 -0.003 0.000 0.978 1063 K HN 0.151 nan 8.250 nan 0.000 0.472 1064 P HA -0.003 nan 4.420 nan 0.000 0.265 1064 P C -0.693 176.612 177.300 0.009 0.000 1.193 1064 P CA 0.196 63.300 63.100 0.007 0.000 0.765 1064 P CB 0.437 32.141 31.700 0.008 0.000 0.823 1065 I N 2.755 123.334 120.570 0.015 0.000 2.437 1065 I HA 0.082 4.249 4.170 -0.005 0.000 0.279 1065 I C 0.989 177.125 176.117 0.031 0.000 1.028 1065 I CA -0.086 61.225 61.300 0.018 0.000 1.142 1065 I CB 0.876 38.888 38.000 0.020 0.000 1.266 1065 I HN 0.317 nan 8.210 nan 0.000 0.461 1066 S N 2.844 118.562 115.700 0.030 0.000 2.548 1066 S HA 0.180 4.647 4.470 -0.005 0.000 0.215 1066 S C 0.569 175.202 174.600 0.054 0.000 0.976 1066 S CA -0.255 57.967 58.200 0.036 0.000 0.908 1066 S CB 0.023 63.239 63.200 0.026 0.000 0.781 1066 S HN 0.654 nan 8.310 nan 0.000 0.519 1067 S N -0.442 115.298 115.700 0.067 0.000 2.543 1067 S HA 0.541 5.007 4.470 -0.005 0.000 0.274 1067 S C -0.043 174.641 174.600 0.141 0.000 1.149 1067 S CA -0.831 57.432 58.200 0.106 0.000 0.866 1067 S CB 0.292 63.544 63.200 0.086 0.000 1.111 1067 S HN -0.025 nan 8.310 nan 0.000 0.457 1068 F N 2.622 122.595 119.950 0.037 0.000 2.087 1068 F HA -0.131 4.394 4.527 -0.005 0.000 0.299 1068 F C 2.568 178.383 175.800 0.025 0.000 1.100 1068 F CA 2.632 60.651 58.000 0.032 0.000 1.226 1068 F CB -0.991 38.029 39.000 0.034 0.000 0.983 1068 F HN 0.932 nan 8.300 nan 0.000 0.479 1069 A N 0.522 123.412 122.820 0.117 0.000 1.870 1069 A HA -0.296 4.021 4.320 -0.005 0.000 0.219 1069 A C 2.509 180.065 177.584 -0.048 0.000 1.224 1069 A CA 3.096 55.147 52.037 0.025 0.000 0.650 1069 A CB -1.816 17.225 19.000 0.067 0.000 0.836 1069 A HN 0.643 nan 8.150 nan 0.000 0.454 1070 A N -0.861 121.950 122.820 -0.015 0.000 1.903 1070 A HA -0.204 4.113 4.320 -0.005 0.000 0.219 1070 A C 2.314 179.855 177.584 -0.071 0.000 1.191 1070 A CA 1.945 53.967 52.037 -0.025 0.000 0.638 1070 A CB -0.755 18.244 19.000 -0.003 0.000 0.823 1070 A HN 0.665 nan 8.150 nan 0.000 0.451 1071 L N -1.436 119.717 121.223 -0.117 0.000 2.027 1071 L HA -0.166 4.170 4.340 -0.005 0.000 0.206 1071 L C 2.817 179.534 176.870 -0.255 0.000 1.074 1071 L CA 1.861 56.598 54.840 -0.172 0.000 0.745 1071 L CB -0.349 41.596 42.059 -0.190 0.000 0.898 1071 L HN 0.472 nan 8.230 nan 0.000 0.433 1072 R N -0.472 119.779 120.500 -0.415 0.000 2.105 1072 R HA -0.204 4.133 4.340 -0.005 0.000 0.239 1072 R C 2.158 178.350 176.300 -0.180 0.000 1.135 1072 R CA 1.568 57.435 56.100 -0.388 0.000 0.967 1072 R CB -0.233 29.791 30.300 -0.459 0.000 0.861 1072 R HN 0.513 nan 8.270 nan 0.000 0.442 1073 A N 0.109 122.855 122.820 -0.124 0.000 1.929 1073 A HA -0.137 4.180 4.320 -0.005 0.000 0.216 1073 A C 1.966 179.514 177.584 -0.059 0.000 1.176 1073 A CA 0.978 52.979 52.037 -0.061 0.000 0.628 1073 A CB -0.271 18.713 19.000 -0.026 0.000 0.816 1073 A HN 0.398 nan 8.150 nan 0.000 0.444 1074 Q N -0.149 119.610 119.800 -0.068 0.000 2.119 1074 Q HA -0.111 4.226 4.340 -0.005 0.000 0.201 1074 Q C 2.084 178.049 176.000 -0.058 0.000 0.972 1074 Q CA 1.868 57.639 55.803 -0.054 0.000 0.847 1074 Q CB -0.369 28.339 28.738 -0.050 0.000 0.903 1074 Q HN 0.707 nan 8.270 nan 0.000 0.433 1075 V N -2.884 116.983 119.914 -0.077 0.000 3.141 1075 V HA 0.046 4.163 4.120 -0.005 0.000 0.265 1075 V C 1.714 177.773 176.094 -0.059 0.000 1.126 1075 V CA 1.582 63.840 62.300 -0.069 0.000 1.141 1075 V CB -0.874 30.898 31.823 -0.086 0.000 0.743 1075 V HN 0.267 nan 8.190 nan 0.000 0.492 1076 G N -0.253 108.511 108.800 -0.059 0.000 2.985 1076 G HA2 0.085 4.042 3.960 -0.005 0.000 0.209 1076 G HA3 0.085 4.042 3.960 -0.005 0.000 0.209 1076 G C 0.916 175.791 174.900 -0.041 0.000 1.165 1076 G CA 0.717 45.788 45.100 -0.048 0.000 0.776 1076 G HN 0.503 nan 8.290 nan 0.000 0.541 1077 T N 1.133 115.663 114.554 -0.039 0.000 3.269 1077 T HA 0.469 4.816 4.350 -0.005 0.000 0.269 1077 T C -0.092 174.589 174.700 -0.032 0.000 0.993 1077 T CA 0.014 62.093 62.100 -0.034 0.000 0.909 1077 T CB -0.171 68.679 68.868 -0.030 0.000 1.115 1077 T HN 0.096 nan 8.240 nan 0.000 0.543 1078 M N 1.915 121.494 119.600 -0.035 0.000 2.182 1078 M HA 0.352 4.829 4.480 -0.005 0.000 0.266 1078 M C -2.996 173.281 176.300 -0.038 0.000 0.989 1078 M CA -1.606 53.673 55.300 -0.034 0.000 1.003 1078 M CB 2.820 35.400 32.600 -0.034 0.000 1.812 1078 M HN -0.193 nan 8.290 nan 0.000 0.472 1079 P HA 0.250 nan 4.420 nan 0.000 0.274 1079 P C -0.415 176.852 177.300 -0.055 0.000 1.231 1079 P CA -0.537 62.532 63.100 -0.051 0.000 0.790 1079 P CB 0.543 32.211 31.700 -0.053 0.000 0.951 1080 V N 1.532 121.407 119.914 -0.066 0.000 3.212 1080 V HA -0.039 4.077 4.120 -0.005 0.000 0.280 1080 V C 1.924 177.985 176.094 -0.056 0.000 1.369 1080 V CA 1.695 63.957 62.300 -0.063 0.000 1.428 1080 V CB -1.291 30.484 31.823 -0.080 0.000 0.980 1080 V HN 1.058 nan 8.190 nan 0.000 0.527 1081 G N 2.195 110.967 108.800 -0.046 0.000 2.228 1081 G HA2 -0.307 3.650 3.960 -0.005 0.000 0.270 1081 G HA3 -0.307 3.650 3.960 -0.005 0.000 0.270 1081 G C 0.445 175.325 174.900 -0.033 0.000 0.976 1081 G CA 0.520 45.596 45.100 -0.039 0.000 0.636 1081 G HN 0.946 nan 8.290 nan 0.000 0.542 1082 S N 0.053 115.733 115.700 -0.033 0.000 2.589 1082 S HA 0.470 4.937 4.470 -0.005 0.000 0.265 1082 S C 0.460 175.046 174.600 -0.024 0.000 1.342 1082 S CA 0.182 58.365 58.200 -0.028 0.000 1.005 1082 S CB 0.927 64.109 63.200 -0.029 0.000 0.909 1082 S HN 0.453 nan 8.310 nan 0.000 0.555 1083 K N 1.864 122.252 120.400 -0.020 0.000 2.413 1083 K HA 0.487 4.804 4.320 -0.005 0.000 0.257 1083 K C -1.044 175.547 176.600 -0.016 0.000 0.946 1083 K CA -0.399 55.878 56.287 -0.017 0.000 0.823 1083 K CB 1.164 33.656 32.500 -0.014 0.000 1.109 1083 K HN 0.525 nan 8.250 nan 0.000 0.427 1084 L N 0.110 121.324 121.223 -0.015 0.000 2.446 1084 L HA 0.475 4.812 4.340 -0.005 0.000 0.268 1084 L C -0.520 176.344 176.870 -0.011 0.000 0.975 1084 L CA -0.716 54.116 54.840 -0.014 0.000 0.848 1084 L CB 1.878 43.926 42.059 -0.018 0.000 1.225 1084 L HN 0.365 nan 8.230 nan 0.000 0.410 1085 T N 5.126 119.676 114.554 -0.008 0.000 2.749 1085 T HA 0.664 5.011 4.350 -0.005 0.000 0.295 1085 T C -0.380 174.318 174.700 -0.003 0.000 0.936 1085 T CA -0.206 61.891 62.100 -0.005 0.000 1.060 1085 T CB 0.161 69.026 68.868 -0.004 0.000 0.904 1085 T HN 0.491 nan 8.240 nan 0.000 0.500 1086 L N 4.056 125.279 121.223 0.000 0.000 2.341 1086 L HA 0.847 5.184 4.340 -0.005 0.000 0.267 1086 L C 0.518 177.394 176.870 0.009 0.000 1.009 1086 L CA -1.244 53.599 54.840 0.004 0.000 0.819 1086 L CB 0.905 42.966 42.059 0.004 0.000 1.323 1086 L HN 0.607 nan 8.230 nan 0.000 0.425 1087 G N 1.688 110.495 108.800 0.012 0.000 2.325 1087 G HA2 0.645 4.601 3.960 -0.005 0.000 0.298 1087 G HA3 0.645 4.601 3.960 -0.005 0.000 0.298 1087 G C -0.530 174.384 174.900 0.023 0.000 1.134 1087 G CA -0.413 44.697 45.100 0.015 0.000 0.876 1087 G HN 0.515 nan 8.290 nan 0.000 0.452 1088 L N 0.942 122.180 121.223 0.025 0.000 2.376 1088 L HA 0.682 5.019 4.340 -0.005 0.000 0.267 1088 L C -0.255 176.636 176.870 0.034 0.000 1.035 1088 L CA -1.051 53.810 54.840 0.035 0.000 0.800 1088 L CB 2.027 44.107 42.059 0.034 0.000 1.290 1088 L HN 0.340 nan 8.230 nan 0.000 0.462 1089 L N 0.602 121.851 121.223 0.043 0.000 2.482 1089 L HA 0.429 4.765 4.340 -0.005 0.000 0.269 1089 L C -0.134 176.761 176.870 0.041 0.000 0.967 1089 L CA -0.088 54.774 54.840 0.036 0.000 0.851 1089 L CB 1.550 43.629 42.059 0.034 0.000 1.242 1089 L HN 0.638 nan 8.230 nan 0.000 0.404 1090 R N 1.117 121.636 120.500 0.030 0.000 2.716 1090 R HA 0.233 4.570 4.340 -0.005 0.000 0.186 1090 R C -0.149 176.162 176.300 0.019 0.000 0.830 1090 R CA 0.544 56.662 56.100 0.030 0.000 1.059 1090 R CB 0.791 31.108 30.300 0.029 0.000 1.531 1090 R HN 0.728 nan 8.270 nan 0.000 0.633 1091 D N -2.429 117.980 120.400 0.015 0.000 2.153 1091 D HA 0.146 4.783 4.640 -0.005 0.000 0.388 1091 D C 0.209 176.514 176.300 0.009 0.000 1.014 1091 D CA 0.764 54.770 54.000 0.010 0.000 0.906 1091 D CB 1.822 42.628 40.800 0.009 0.000 1.552 1091 D HN 0.312 nan 8.370 nan 0.000 0.522 1092 G N 1.810 110.617 108.800 0.012 0.000 2.885 1092 G HA2 -0.031 3.926 3.960 -0.005 0.000 0.233 1092 G HA3 -0.031 3.926 3.960 -0.005 0.000 0.233 1092 G C -0.633 174.274 174.900 0.012 0.000 2.964 1092 G CA -0.717 44.390 45.100 0.011 0.000 0.824 1092 G HN -0.157 nan 8.290 nan 0.000 0.441 1093 K N 0.525 120.934 120.400 0.015 0.000 2.130 1093 K HA 0.724 5.040 4.320 -0.005 0.000 0.268 1093 K C -0.123 176.486 176.600 0.015 0.000 0.983 1093 K CA -0.582 55.713 56.287 0.014 0.000 0.893 1093 K CB 2.441 34.951 32.500 0.017 0.000 1.066 1093 K HN 0.550 nan 8.250 nan 0.000 0.450 1094 Q N 1.100 120.907 119.800 0.012 0.000 2.353 1094 Q HA 0.501 4.838 4.340 -0.005 0.000 0.275 1094 Q C -1.626 174.379 176.000 0.008 0.000 1.029 1094 Q CA -0.645 55.164 55.803 0.011 0.000 0.848 1094 Q CB 1.937 30.680 28.738 0.009 0.000 1.390 1094 Q HN 0.372 nan 8.270 nan 0.000 0.401 1095 V N 1.894 121.812 119.914 0.007 0.000 3.167 1095 V HA 0.658 4.774 4.120 -0.005 0.000 0.310 1095 V C -1.102 174.993 176.094 0.002 0.000 1.207 1095 V CA -1.043 61.259 62.300 0.004 0.000 1.059 1095 V CB 2.251 34.076 31.823 0.004 0.000 1.079 1095 V HN 0.944 nan 8.190 nan 0.000 0.446 1096 N N 0.903 119.602 118.700 -0.000 0.000 2.225 1096 N HA 0.815 5.552 4.740 -0.005 0.000 0.298 1096 N C -1.046 174.461 175.510 -0.004 0.000 1.076 1096 N CA -0.453 52.596 53.050 -0.003 0.000 0.792 1096 N CB 2.378 40.863 38.487 -0.003 0.000 1.498 1096 N HN 1.073 nan 8.380 nan 0.000 0.474 1097 V N -1.586 118.324 119.914 -0.006 0.000 3.282 1097 V HA 0.619 4.736 4.120 -0.005 0.000 0.295 1097 V C -1.424 174.663 176.094 -0.011 0.000 1.451 1097 V CA -1.161 61.134 62.300 -0.008 0.000 1.062 1097 V CB 1.753 33.571 31.823 -0.007 0.000 1.128 1097 V HN 0.956 nan 8.190 nan 0.000 0.456 1098 N N 1.864 120.556 118.700 -0.013 0.000 2.372 1098 N HA 0.534 5.270 4.740 -0.005 0.000 0.285 1098 N C -0.974 174.525 175.510 -0.019 0.000 1.008 1098 N CA -0.457 52.583 53.050 -0.017 0.000 0.880 1098 N CB 1.850 40.327 38.487 -0.017 0.000 1.239 1098 N HN 0.915 nan 8.380 nan 0.000 0.484 1099 L N 0.835 122.045 121.223 -0.022 0.000 2.399 1099 L HA 0.636 4.973 4.340 -0.005 0.000 0.265 1099 L C 0.651 177.504 176.870 -0.028 0.000 1.089 1099 L CA -0.513 54.313 54.840 -0.023 0.000 0.802 1099 L CB 0.185 42.229 42.059 -0.025 0.000 1.180 1099 L HN 0.549 nan 8.230 nan 0.000 0.454 1100 E N 0.959 121.143 120.200 -0.027 0.000 2.316 1100 E HA 0.354 4.701 4.350 -0.005 0.000 0.258 1100 E C -0.688 175.893 176.600 -0.033 0.000 0.952 1100 E CA -1.098 55.284 56.400 -0.031 0.000 0.818 1100 E CB 1.409 31.093 29.700 -0.027 0.000 1.260 1100 E HN 0.543 nan 8.360 nan 0.000 0.416 1101 L N 1.842 123.042 121.223 -0.039 0.000 2.593 1101 L HA -0.072 4.265 4.340 -0.005 0.000 0.287 1101 L C 0.821 177.675 176.870 -0.027 0.000 1.243 1101 L CA 0.993 55.810 54.840 -0.038 0.000 0.890 1101 L CB 0.108 42.141 42.059 -0.042 0.000 1.134 1101 L HN 0.824 nan 8.230 nan 0.000 0.502 1102 Q N 3.172 122.958 119.800 -0.024 0.000 2.651 1102 Q HA -0.030 4.306 4.340 -0.005 0.000 0.224 1102 Q C 0.695 176.688 176.000 -0.011 0.000 1.094 1102 Q CA 0.146 55.940 55.803 -0.015 0.000 1.018 1102 Q CB 0.608 29.338 28.738 -0.014 0.000 1.292 1102 Q HN 0.698 nan 8.270 nan 0.000 0.588 1103 Q N 0.393 120.190 119.800 -0.006 0.000 2.281 1103 Q HA 0.098 4.435 4.340 -0.005 0.000 0.215 1103 Q C 1.044 177.044 176.000 -0.001 0.000 0.867 1103 Q CA 0.582 56.383 55.803 -0.004 0.000 0.940 1103 Q CB 0.344 29.080 28.738 -0.004 0.000 1.111 1103 Q HN 0.600 nan 8.270 nan 0.000 0.513 1104 S N 2.130 117.831 115.700 0.002 0.000 2.356 1104 S HA -0.046 4.421 4.470 -0.005 0.000 0.223 1104 S C 0.963 175.567 174.600 0.006 0.000 1.032 1104 S CA 1.121 59.325 58.200 0.007 0.000 1.005 1104 S CB -0.098 63.109 63.200 0.011 0.000 0.867 1104 S HN 0.669 nan 8.310 nan 0.000 0.449 1105 S N 1.972 117.673 115.700 0.003 0.000 2.411 1105 S HA 0.572 5.039 4.470 -0.005 0.000 0.304 1105 S C -0.533 174.067 174.600 0.001 0.000 1.098 1105 S CA -0.702 57.500 58.200 0.003 0.000 1.068 1105 S CB 0.715 63.917 63.200 0.002 0.000 1.032 1105 S HN 0.348 nan 8.310 nan 0.000 0.511 1106 Q N 2.298 122.099 119.800 0.001 0.000 2.605 1106 Q HA 0.528 4.864 4.340 -0.005 0.000 0.296 1106 Q C -0.751 175.248 176.000 -0.003 0.000 1.056 1106 Q CA -1.157 54.645 55.803 -0.002 0.000 0.778 1106 Q CB 1.407 30.141 28.738 -0.005 0.000 1.497 1106 Q HN 0.675 nan 8.270 nan 0.000 0.443 1107 N N -0.116 118.580 118.700 -0.007 0.000 2.525 1107 N HA 0.383 5.119 4.740 -0.005 0.000 0.288 1107 N C -0.398 175.096 175.510 -0.027 0.000 1.242 1107 N CA -0.256 52.787 53.050 -0.012 0.000 0.905 1107 N CB 1.825 40.308 38.487 -0.007 0.000 1.258 1107 N HN 0.501 nan 8.380 nan 0.000 0.551 1108 Q N -0.433 119.342 119.800 -0.042 0.000 1.734 1108 Q HA 0.163 4.500 4.340 -0.005 0.000 0.147 1108 Q C 0.849 176.774 176.000 -0.126 0.000 0.447 1108 Q CA -0.178 55.578 55.803 -0.078 0.000 0.734 1108 Q CB 0.177 28.867 28.738 -0.080 0.000 0.855 1108 Q HN 0.449 nan 8.270 nan 0.000 0.259 1109 V N -0.581 119.230 119.914 -0.171 0.000 3.271 1109 V HA 0.288 4.405 4.120 -0.005 0.000 0.327 1109 V C -0.005 176.028 176.094 -0.103 0.000 1.389 1109 V CA 0.870 63.020 62.300 -0.250 0.000 1.156 1109 V CB -0.051 31.424 31.823 -0.579 0.000 1.103 1109 V HN 0.590 nan 8.190 nan 0.000 0.453 1110 D N -1.195 119.176 120.400 -0.049 0.000 2.433 1110 D HA 0.117 4.754 4.640 -0.005 0.000 0.211 1110 D C 1.625 177.929 176.300 0.007 0.000 1.114 1110 D CA 0.758 54.757 54.000 -0.002 0.000 0.837 1110 D CB 0.605 41.412 40.800 0.011 0.000 0.984 1110 D HN 0.276 nan 8.370 nan 0.000 0.505 1111 S N -0.494 115.203 115.700 -0.006 0.000 2.348 1111 S HA 0.049 4.516 4.470 -0.005 0.000 0.219 1111 S C 0.791 175.399 174.600 0.013 0.000 1.033 1111 S CA 0.262 58.465 58.200 0.005 0.000 0.974 1111 S CB -0.045 63.154 63.200 -0.002 0.000 0.868 1111 S HN 0.202 nan 8.310 nan 0.000 0.459 1112 S N 2.201 117.906 115.700 0.009 0.000 2.410 1112 S HA 0.205 4.672 4.470 -0.005 0.000 0.304 1112 S C 1.155 175.776 174.600 0.036 0.000 1.095 1112 S CA -0.450 57.764 58.200 0.022 0.000 1.089 1112 S CB 1.351 64.563 63.200 0.021 0.000 0.968 1112 S HN 0.540 nan 8.310 nan 0.000 0.480 1113 S N 2.996 118.722 115.700 0.042 0.000 2.462 1113 S HA -0.215 4.252 4.470 -0.005 0.000 0.251 1113 S C 1.301 175.947 174.600 0.078 0.000 1.018 1113 S CA 0.946 59.178 58.200 0.055 0.000 0.988 1113 S CB -0.595 62.633 63.200 0.046 0.000 0.766 1113 S HN 0.656 nan 8.310 nan 0.000 0.504 1114 I N 0.175 120.794 120.570 0.082 0.000 3.252 1114 I HA 0.444 4.611 4.170 -0.005 0.000 0.151 1114 I C 0.282 176.531 176.117 0.220 0.000 1.031 1114 I CA 0.759 62.132 61.300 0.120 0.000 1.364 1114 I CB -0.011 38.048 38.000 0.099 0.000 1.211 1114 I HN 0.398 nan 8.210 nan 0.000 0.436 1115 F N -0.597 119.363 119.950 0.017 0.000 2.765 1115 F HA 0.257 4.780 4.527 -0.006 0.000 0.313 1115 F C -0.643 175.167 175.800 0.017 0.000 1.136 1115 F CA -0.570 57.440 58.000 0.017 0.000 0.952 1115 F CB 0.192 39.201 39.000 0.015 0.000 1.268 1115 F HN 0.482 nan 8.300 nan 0.000 0.441 1116 N N 1.198 119.470 118.700 -0.715 0.000 2.448 1116 N HA 0.339 5.076 4.740 -0.005 0.000 0.203 1116 N C -1.884 173.300 175.510 -0.543 0.000 1.794 1116 N CA -0.592 52.246 53.050 -0.354 0.000 1.445 1116 N CB 0.660 39.042 38.487 -0.174 0.000 1.055 1116 N HN 0.546 nan 8.380 nan 0.000 0.859 1117 E N 0.010 120.183 120.200 -0.044 0.000 2.956 1117 E HA 0.269 4.616 4.350 -0.005 0.000 0.353 1117 E C -1.195 175.392 176.600 -0.023 0.000 1.131 1117 E CA -0.053 56.327 56.400 -0.033 0.000 0.851 1117 E CB 0.750 30.434 29.700 -0.026 0.000 1.500 1117 E HN 0.212 nan 8.360 nan 0.000 0.384 1118 M N 0.730 120.317 119.600 -0.021 0.000 2.278 1118 M HA 0.530 5.007 4.480 -0.005 0.000 0.227 1118 M C 0.485 176.779 176.300 -0.010 0.000 1.138 1118 M CA -0.208 55.083 55.300 -0.014 0.000 1.014 1118 M CB 0.808 33.402 32.600 -0.011 0.000 1.289 1118 M HN 0.300 nan 8.290 nan 0.000 0.567 1119 S N -1.983 113.713 115.700 -0.007 0.000 2.663 1119 S HA 0.474 4.941 4.470 -0.005 0.000 0.264 1119 S C -1.556 173.040 174.600 -0.006 0.000 1.112 1119 S CA -1.329 56.867 58.200 -0.005 0.000 0.823 1119 S CB 0.488 63.682 63.200 -0.009 0.000 1.111 1119 S HN 0.567 nan 8.310 nan 0.000 0.476 1120 N N 0.734 119.428 118.700 -0.010 0.000 2.483 1120 N HA 0.527 5.264 4.740 -0.005 0.000 0.269 1120 N C -0.796 174.698 175.510 -0.027 0.000 1.209 1120 N CA -0.264 52.775 53.050 -0.018 0.000 0.969 1120 N CB 1.015 39.483 38.487 -0.032 0.000 1.173 1120 N HN 0.627 nan 8.380 nan 0.000 0.475 1121 K N 0.385 120.768 120.400 -0.028 0.000 2.413 1121 K HA 0.469 4.786 4.320 -0.005 0.000 0.257 1121 K C 0.490 177.067 176.600 -0.038 0.000 0.946 1121 K CA -0.301 55.968 56.287 -0.029 0.000 0.823 1121 K CB 0.807 33.295 32.500 -0.020 0.000 1.109 1121 K HN 0.686 nan 8.250 nan 0.000 0.427 1122 G N 3.782 112.556 108.800 -0.044 0.000 2.568 1122 G HA2 -0.374 3.583 3.960 -0.005 0.000 0.334 1122 G HA3 -0.374 3.583 3.960 -0.005 0.000 0.334 1122 G C -0.118 174.742 174.900 -0.067 0.000 1.348 1122 G CA 0.591 45.661 45.100 -0.050 0.000 0.949 1122 G HN 0.736 nan 8.290 nan 0.000 0.532 1123 K N 0.641 121.004 120.400 -0.060 0.000 2.797 1123 K HA 0.106 4.422 4.320 -0.005 0.000 0.307 1123 K C 0.530 177.096 176.600 -0.058 0.000 1.072 1123 K CA 0.643 56.888 56.287 -0.071 0.000 0.981 1123 K CB -0.725 31.745 32.500 -0.048 0.000 1.078 1123 K HN 0.443 nan 8.250 nan 0.000 0.459 1124 D N 1.225 121.603 120.400 -0.037 0.000 2.941 1124 D HA 0.012 4.649 4.640 -0.005 0.000 0.236 1124 D C -0.298 176.000 176.300 -0.004 0.000 1.147 1124 D CA 0.421 54.415 54.000 -0.010 0.000 0.975 1124 D CB -0.486 40.322 40.800 0.015 0.000 1.162 1124 D HN 0.231 nan 8.370 nan 0.000 0.444 1125 Q N 0.731 120.524 119.800 -0.012 0.000 2.819 1125 Q HA 0.384 4.720 4.340 -0.005 0.000 0.392 1125 Q C 0.814 176.812 176.000 -0.003 0.000 1.088 1125 Q CA -0.619 55.180 55.803 -0.007 0.000 1.062 1125 Q CB 0.865 29.596 28.738 -0.012 0.000 1.369 1125 Q HN 0.426 nan 8.270 nan 0.000 0.434 1126 G N -0.235 108.567 108.800 0.005 0.000 2.750 1126 G HA2 -0.247 3.710 3.960 -0.005 0.000 0.228 1126 G HA3 -0.247 3.710 3.960 -0.005 0.000 0.228 1126 G C -0.638 174.265 174.900 0.005 0.000 1.367 1126 G CA -0.740 44.365 45.100 0.009 0.000 0.871 1126 G HN 0.260 nan 8.290 nan 0.000 0.560 1127 V N 0.169 120.087 119.914 0.007 0.000 2.349 1127 V HA 0.499 4.616 4.120 -0.005 0.000 0.284 1127 V C 0.637 176.730 176.094 -0.002 0.000 1.014 1127 V CA -0.655 61.648 62.300 0.004 0.000 0.826 1127 V CB 1.346 33.175 31.823 0.011 0.000 1.009 1127 V HN 0.844 nan 8.190 nan 0.000 0.431 1128 V N 5.898 125.808 119.914 -0.007 0.000 2.488 1128 V HA 0.250 4.366 4.120 -0.005 0.000 0.277 1128 V C 0.317 176.405 176.094 -0.011 0.000 1.046 1128 V CA -0.010 62.284 62.300 -0.010 0.000 0.986 1128 V CB 1.813 33.628 31.823 -0.013 0.000 0.989 1128 V HN 0.653 nan 8.190 nan 0.000 0.475 1129 V N 7.684 127.591 119.914 -0.012 0.000 2.607 1129 V HA 0.447 4.564 4.120 -0.005 0.000 0.289 1129 V C 0.373 176.458 176.094 -0.013 0.000 1.053 1129 V CA -0.272 62.021 62.300 -0.013 0.000 0.996 1129 V CB 1.402 33.217 31.823 -0.013 0.000 0.995 1129 V HN 0.973 nan 8.190 nan 0.000 0.476 1130 N N 3.774 122.466 118.700 -0.014 0.000 2.752 1130 N HA 0.292 5.029 4.740 -0.005 0.000 0.316 1130 N C -0.335 175.168 175.510 -0.012 0.000 1.343 1130 N CA -0.732 52.310 53.050 -0.013 0.000 0.875 1130 N CB -0.001 38.478 38.487 -0.012 0.000 1.120 1130 N HN 0.687 nan 8.380 nan 0.000 0.562 1131 N N 1.741 120.435 118.700 -0.011 0.000 2.291 1131 N HA -0.046 4.690 4.740 -0.005 0.000 0.281 1131 N C 0.043 175.547 175.510 -0.010 0.000 1.388 1131 N CA 0.224 53.268 53.050 -0.009 0.000 0.920 1131 N CB -0.228 38.255 38.487 -0.008 0.000 1.276 1131 N HN 0.272 nan 8.380 nan 0.000 0.493 1132 V N 0.536 120.445 119.914 -0.009 0.000 3.185 1132 V HA 0.306 4.422 4.120 -0.005 0.000 0.305 1132 V C 0.973 177.064 176.094 -0.005 0.000 1.090 1132 V CA -0.342 61.952 62.300 -0.009 0.000 1.107 1132 V CB 1.027 32.846 31.823 -0.007 0.000 1.061 1132 V HN 0.297 nan 8.190 nan 0.000 0.480 1133 K N 1.143 121.541 120.400 -0.003 0.000 2.642 1133 K HA 0.510 4.827 4.320 -0.005 0.000 0.273 1133 K C 1.267 177.873 176.600 0.009 0.000 1.029 1133 K CA -0.007 56.283 56.287 0.004 0.000 1.071 1133 K CB 0.597 33.100 32.500 0.006 0.000 1.451 1133 K HN 0.830 nan 8.250 nan 0.000 0.559 1134 T N -0.228 114.335 114.554 0.015 0.000 3.010 1134 T HA 0.012 4.358 4.350 -0.005 0.000 0.252 1134 T C 1.652 176.367 174.700 0.024 0.000 1.047 1134 T CA 1.014 63.125 62.100 0.018 0.000 1.140 1134 T CB -0.205 68.675 68.868 0.020 0.000 0.885 1134 T HN 0.700 nan 8.240 nan 0.000 0.464 1135 G N 1.946 110.765 108.800 0.032 0.000 2.448 1135 G HA2 -0.150 3.807 3.960 -0.005 0.000 0.219 1135 G HA3 -0.150 3.807 3.960 -0.005 0.000 0.219 1135 G C 1.059 175.981 174.900 0.037 0.000 1.127 1135 G CA 1.638 46.763 45.100 0.042 0.000 0.766 1135 G HN 0.700 nan 8.290 nan 0.000 0.552 1136 T N -2.686 111.885 114.554 0.028 0.000 3.996 1136 T HA -0.193 4.154 4.350 -0.005 0.000 0.348 1136 T C -0.740 173.976 174.700 0.027 0.000 0.757 1136 T CA 1.118 63.231 62.100 0.021 0.000 1.898 1136 T CB -2.251 66.628 68.868 0.017 0.000 1.861 1136 T HN 0.423 nan 8.240 nan 0.000 0.821 1137 P HA 0.150 nan 4.420 nan 0.000 0.218 1137 P C 1.752 179.071 177.300 0.032 0.000 1.149 1137 P CA 1.447 64.577 63.100 0.051 0.000 0.817 1137 P CB -0.255 31.498 31.700 0.089 0.000 0.785 1138 A N -0.657 122.171 122.820 0.013 0.000 2.044 1138 A HA 0.279 4.596 4.320 -0.005 0.000 0.213 1138 A C 2.166 179.752 177.584 0.003 0.000 1.169 1138 A CA 1.075 53.114 52.037 0.003 0.000 0.724 1138 A CB -1.168 17.822 19.000 -0.016 0.000 0.840 1138 A HN 0.139 nan 8.150 nan 0.000 0.463 1139 A N -0.468 122.354 122.820 0.004 0.000 1.929 1139 A HA -0.138 4.179 4.320 -0.005 0.000 0.216 1139 A C 1.988 179.576 177.584 0.006 0.000 1.176 1139 A CA 1.414 53.452 52.037 0.002 0.000 0.628 1139 A CB -0.509 18.492 19.000 0.002 0.000 0.816 1139 A HN 0.558 nan 8.150 nan 0.000 0.444 1140 Q N -1.462 118.346 119.800 0.012 0.000 2.368 1140 Q HA -0.104 4.233 4.340 -0.005 0.000 0.210 1140 Q C 0.865 176.874 176.000 0.015 0.000 0.982 1140 Q CA 0.824 56.636 55.803 0.015 0.000 0.884 1140 Q CB -0.139 28.612 28.738 0.022 0.000 0.933 1140 Q HN 0.604 nan 8.270 nan 0.000 0.460 1141 I N -0.538 120.040 120.570 0.014 0.000 3.858 1141 I HA 0.156 4.323 4.170 -0.005 0.000 0.325 1141 I C 0.631 176.753 176.117 0.008 0.000 1.403 1141 I CA 0.479 61.788 61.300 0.015 0.000 1.169 1141 I CB 0.037 38.049 38.000 0.019 0.000 1.077 1141 I HN 0.206 nan 8.210 nan 0.000 0.403 1142 G N 0.970 109.771 108.800 0.003 0.000 2.160 1142 G HA2 -0.221 3.736 3.960 -0.005 0.000 0.244 1142 G HA3 -0.221 3.736 3.960 -0.005 0.000 0.244 1142 G C -0.251 174.641 174.900 -0.013 0.000 1.022 1142 G CA -0.007 45.089 45.100 -0.006 0.000 0.741 1142 G HN 0.208 nan 8.290 nan 0.000 0.508 1143 L N 0.513 121.731 121.223 -0.009 0.000 2.294 1143 L HA 0.566 4.903 4.340 -0.005 0.000 0.283 1143 L C 0.805 177.668 176.870 -0.012 0.000 1.015 1143 L CA -0.503 54.329 54.840 -0.013 0.000 0.831 1143 L CB 1.393 43.446 42.059 -0.010 0.000 1.217 1143 L HN 0.291 nan 8.230 nan 0.000 0.420 1144 K N 2.039 122.430 120.400 -0.016 0.000 3.015 1144 K HA 0.237 4.553 4.320 -0.005 0.000 0.340 1144 K C 0.883 177.475 176.600 -0.013 0.000 1.002 1144 K CA -0.011 56.268 56.287 -0.014 0.000 1.190 1144 K CB 0.533 33.023 32.500 -0.017 0.000 1.241 1144 K HN 0.454 nan 8.250 nan 0.000 0.507 1145 K N -1.003 119.389 120.400 -0.013 0.000 2.262 1145 K HA 0.096 4.413 4.320 -0.005 0.000 0.200 1145 K C 0.505 177.096 176.600 -0.014 0.000 1.049 1145 K CA 0.748 57.027 56.287 -0.012 0.000 0.979 1145 K CB 0.595 33.088 32.500 -0.011 0.000 0.773 1145 K HN 0.552 nan 8.250 nan 0.000 0.474 1146 G N 2.092 110.883 108.800 -0.015 0.000 4.713 1146 G HA2 0.165 4.122 3.960 -0.005 0.000 0.318 1146 G HA3 0.165 4.122 3.960 -0.005 0.000 0.318 1146 G C -1.615 173.274 174.900 -0.018 0.000 1.435 1146 G CA -0.463 44.627 45.100 -0.016 0.000 0.965 1146 G HN -0.029 nan 8.290 nan 0.000 0.542 1147 D N 1.007 121.396 120.400 -0.019 0.000 2.414 1147 D HA 0.428 5.065 4.640 -0.005 0.000 0.232 1147 D C 0.562 176.851 176.300 -0.018 0.000 1.070 1147 D CA -0.268 53.719 54.000 -0.022 0.000 0.839 1147 D CB 2.389 43.175 40.800 -0.024 0.000 1.079 1147 D HN 0.095 nan 8.370 nan 0.000 0.521 1148 V N 2.259 122.162 119.914 -0.018 0.000 3.214 1148 V HA 0.406 4.523 4.120 -0.005 0.000 0.306 1148 V C 0.644 176.734 176.094 -0.007 0.000 1.078 1148 V CA -0.580 61.713 62.300 -0.011 0.000 1.077 1148 V CB 0.993 32.810 31.823 -0.010 0.000 1.121 1148 V HN 0.486 nan 8.190 nan 0.000 0.468 1149 I N 2.621 123.193 120.570 0.003 0.000 2.719 1149 I HA 0.246 4.413 4.170 -0.005 0.000 0.275 1149 I C 0.165 176.295 176.117 0.022 0.000 1.228 1149 I CA -0.180 61.128 61.300 0.013 0.000 1.035 1149 I CB 1.285 39.294 38.000 0.015 0.000 1.286 1149 I HN 0.462 nan 8.210 nan 0.000 0.531 1150 I N 1.900 122.486 120.570 0.026 0.000 3.419 1150 I HA 0.134 4.301 4.170 -0.005 0.000 0.286 1150 I C 1.450 177.592 176.117 0.042 0.000 1.268 1150 I CA 0.627 61.945 61.300 0.030 0.000 1.414 1150 I CB -0.701 37.316 38.000 0.028 0.000 1.074 1150 I HN 0.428 nan 8.210 nan 0.000 0.457 1151 G N 1.528 110.362 108.800 0.056 0.000 2.350 1151 G HA2 0.465 4.422 3.960 -0.005 0.000 0.306 1151 G HA3 0.465 4.422 3.960 -0.005 0.000 0.306 1151 G C 0.458 175.392 174.900 0.056 0.000 1.094 1151 G CA -0.251 44.890 45.100 0.068 0.000 0.953 1151 G HN 0.281 nan 8.290 nan 0.000 0.420 1152 A N 3.480 126.325 122.820 0.042 0.000 3.004 1152 A HA 0.264 4.581 4.320 -0.005 0.000 0.252 1152 A C 1.410 179.014 177.584 0.033 0.000 1.802 1152 A CA 0.276 52.333 52.037 0.034 0.000 1.424 1152 A CB -1.033 17.983 19.000 0.027 0.000 1.005 1152 A HN 1.397 nan 8.150 nan 0.000 0.631 1153 N N -0.231 118.495 118.700 0.043 0.000 2.815 1153 N HA -0.339 4.398 4.740 -0.005 0.000 0.247 1153 N C 0.888 176.412 175.510 0.023 0.000 1.030 1153 N CA 2.774 55.848 53.050 0.040 0.000 0.881 1153 N CB -0.685 37.820 38.487 0.030 0.000 1.134 1153 N HN 0.915 nan 8.380 nan 0.000 0.582 1154 Q N -5.438 114.375 119.800 0.021 0.000 7.202 1154 Q HA -0.054 4.283 4.340 -0.005 0.000 0.338 1154 Q C -0.012 175.993 176.000 0.009 0.000 0.933 1154 Q CA -0.159 55.644 55.803 0.001 0.000 0.563 1154 Q CB -0.382 28.351 28.738 -0.008 0.000 0.472 1154 Q HN 0.403 nan 8.270 nan 0.000 0.823 1155 Q N 0.960 120.770 119.800 0.017 0.000 2.665 1155 Q HA 0.785 5.122 4.340 -0.005 0.000 0.176 1155 Q C -0.580 175.435 176.000 0.026 0.000 1.025 1155 Q CA 0.026 55.840 55.803 0.018 0.000 0.953 1155 Q CB 1.403 30.150 28.738 0.015 0.000 2.143 1155 Q HN 0.360 nan 8.270 nan 0.000 0.464 1156 A N 0.609 123.443 122.820 0.024 0.000 2.320 1156 A HA 0.415 4.732 4.320 -0.005 0.000 0.287 1156 A C -0.636 176.965 177.584 0.029 0.000 1.181 1156 A CA -0.268 51.785 52.037 0.026 0.000 0.831 1156 A CB 0.338 19.352 19.000 0.023 0.000 1.102 1156 A HN 0.317 nan 8.150 nan 0.000 0.513 1157 V N 5.357 125.290 119.914 0.031 0.000 2.320 1157 V HA 0.091 4.208 4.120 -0.005 0.000 0.257 1157 V C 1.216 177.329 176.094 0.031 0.000 0.996 1157 V CA -0.353 61.966 62.300 0.032 0.000 0.928 1157 V CB 0.450 32.292 31.823 0.031 0.000 1.169 1157 V HN 1.110 nan 8.190 nan 0.000 0.475 1158 K N 1.451 121.872 120.400 0.035 0.000 2.365 1158 K HA -0.001 4.316 4.320 -0.005 0.000 0.199 1158 K C 0.379 177.002 176.600 0.040 0.000 1.045 1158 K CA 0.921 57.228 56.287 0.033 0.000 0.962 1158 K CB 0.101 32.624 32.500 0.038 0.000 0.759 1158 K HN 0.696 nan 8.250 nan 0.000 0.469 1159 N N -1.068 117.663 118.700 0.052 0.000 2.961 1159 N HA 0.154 4.890 4.740 -0.005 0.000 0.245 1159 N C 0.216 175.761 175.510 0.058 0.000 1.404 1159 N CA -0.830 52.259 53.050 0.064 0.000 0.880 1159 N CB 0.171 38.731 38.487 0.123 0.000 1.461 1159 N HN -0.124 nan 8.380 nan 0.000 0.510 1160 I N -0.233 120.371 120.570 0.056 0.000 2.423 1160 I HA -0.205 3.962 4.170 -0.005 0.000 0.254 1160 I C 2.202 178.344 176.117 0.043 0.000 1.151 1160 I CA 1.645 62.971 61.300 0.043 0.000 1.421 1160 I CB -0.572 37.450 38.000 0.037 0.000 1.079 1160 I HN 0.753 nan 8.210 nan 0.000 0.431 1161 A N 0.727 123.580 122.820 0.054 0.000 1.855 1161 A HA -0.200 4.117 4.320 -0.005 0.000 0.215 1161 A C 2.281 179.882 177.584 0.029 0.000 1.191 1161 A CA 1.547 53.603 52.037 0.032 0.000 0.613 1161 A CB -0.505 18.500 19.000 0.009 0.000 0.829 1161 A HN 0.397 nan 8.150 nan 0.000 0.442 1162 E N -0.387 119.835 120.200 0.036 0.000 2.017 1162 E HA -0.166 4.181 4.350 -0.005 0.000 0.193 1162 E C 2.081 178.699 176.600 0.029 0.000 0.997 1162 E CA 1.031 57.450 56.400 0.031 0.000 0.804 1162 E CB -0.312 29.410 29.700 0.036 0.000 0.757 1162 E HN 0.489 nan 8.360 nan 0.000 0.448 1163 L N 1.602 122.844 121.223 0.032 0.000 1.978 1163 L HA -0.274 4.063 4.340 -0.005 0.000 0.218 1163 L C 2.398 179.284 176.870 0.027 0.000 1.075 1163 L CA 2.020 56.877 54.840 0.028 0.000 0.767 1163 L CB -0.641 41.435 42.059 0.027 0.000 0.890 1163 L HN 0.098 nan 8.230 nan 0.000 0.434 1164 R N 0.034 120.550 120.500 0.027 0.000 2.193 1164 R HA -0.226 4.111 4.340 -0.005 0.000 0.229 1164 R C 2.272 178.589 176.300 0.028 0.000 1.110 1164 R CA 1.575 57.691 56.100 0.027 0.000 0.988 1164 R CB -0.077 30.240 30.300 0.028 0.000 0.871 1164 R HN 0.363 nan 8.270 nan 0.000 0.458 1165 K N -0.573 119.843 120.400 0.027 0.000 2.288 1165 K HA -0.030 4.286 4.320 -0.005 0.000 0.201 1165 K C 1.325 177.938 176.600 0.021 0.000 1.048 1165 K CA 0.965 57.266 56.287 0.024 0.000 0.956 1165 K CB 0.392 32.905 32.500 0.021 0.000 0.746 1165 K HN 0.050 nan 8.250 nan 0.000 0.461 1166 V N 0.490 120.417 119.914 0.022 0.000 2.795 1166 V HA -0.002 4.115 4.120 -0.005 0.000 0.243 1166 V C 1.563 177.670 176.094 0.021 0.000 1.069 1166 V CA 0.628 62.940 62.300 0.020 0.000 1.089 1166 V CB -0.133 31.703 31.823 0.021 0.000 0.756 1166 V HN 0.216 nan 8.190 nan 0.000 0.471 1167 L N 0.950 122.187 121.223 0.024 0.000 2.737 1167 L HA 0.043 4.380 4.340 -0.005 0.000 0.246 1167 L C 1.472 178.358 176.870 0.026 0.000 1.153 1167 L CA 1.087 55.943 54.840 0.026 0.000 0.920 1167 L CB -0.498 41.577 42.059 0.027 0.000 1.090 1167 L HN 0.443 nan 8.230 nan 0.000 0.430 1168 D N -1.429 118.985 120.400 0.024 0.000 2.415 1168 D HA -0.074 4.563 4.640 -0.005 0.000 0.269 1168 D C 2.011 178.322 176.300 0.018 0.000 1.099 1168 D CA 0.862 54.876 54.000 0.023 0.000 0.865 1168 D CB 0.418 41.233 40.800 0.025 0.000 1.359 1168 D HN 0.093 nan 8.370 nan 0.000 0.506 1169 S N 0.022 115.731 115.700 0.016 0.000 2.387 1169 S HA -0.036 4.431 4.470 -0.005 0.000 0.221 1169 S C 0.994 175.601 174.600 0.012 0.000 1.041 1169 S CA 0.196 58.404 58.200 0.012 0.000 0.959 1169 S CB -0.470 62.737 63.200 0.011 0.000 0.843 1169 S HN 0.276 nan 8.310 nan 0.000 0.488 1170 K N 1.539 121.947 120.400 0.014 0.000 2.533 1170 K HA 0.509 4.826 4.320 -0.005 0.000 0.207 1170 K C -2.846 173.764 176.600 0.016 0.000 1.052 1170 K CA -1.661 54.633 56.287 0.013 0.000 1.030 1170 K CB 1.114 33.621 32.500 0.011 0.000 1.522 1170 K HN 0.070 nan 8.250 nan 0.000 0.543 1171 P HA -0.088 nan 4.420 nan 0.000 0.252 1171 P C 0.449 177.760 177.300 0.018 0.000 1.265 1171 P CA 0.371 63.483 63.100 0.020 0.000 0.775 1171 P CB 0.348 32.060 31.700 0.021 0.000 1.128 1172 S N -1.734 113.976 115.700 0.015 0.000 2.288 1172 S HA 0.033 4.500 4.470 -0.005 0.000 0.191 1172 S C 0.771 175.380 174.600 0.015 0.000 1.028 1172 S CA 0.374 58.582 58.200 0.013 0.000 1.030 1172 S CB -0.868 62.338 63.200 0.010 0.000 0.932 1172 S HN -0.110 nan 8.310 nan 0.000 0.463 1173 V N 2.672 122.594 119.914 0.013 0.000 2.427 1173 V HA 0.667 4.784 4.120 -0.005 0.000 0.286 1173 V C -0.769 175.335 176.094 0.017 0.000 1.034 1173 V CA -0.613 61.695 62.300 0.014 0.000 0.893 1173 V CB 1.012 32.840 31.823 0.008 0.000 0.982 1173 V HN 0.568 nan 8.190 nan 0.000 0.452 1174 L N 5.143 126.379 121.223 0.023 0.000 2.404 1174 L HA 0.880 5.216 4.340 -0.005 0.000 0.272 1174 L C -0.186 176.707 176.870 0.037 0.000 0.980 1174 L CA -0.339 54.518 54.840 0.029 0.000 0.836 1174 L CB 1.505 43.582 42.059 0.031 0.000 1.238 1174 L HN 0.706 nan 8.230 nan 0.000 0.408 1175 A N 5.989 128.835 122.820 0.044 0.000 2.409 1175 A HA 0.618 4.935 4.320 -0.005 0.000 0.300 1175 A C -1.256 176.385 177.584 0.095 0.000 1.273 1175 A CA -0.517 51.562 52.037 0.071 0.000 0.774 1175 A CB 0.525 19.559 19.000 0.057 0.000 1.144 1175 A HN 0.516 nan 8.150 nan 0.000 0.472 1176 L N 2.812 124.091 121.223 0.094 0.000 2.433 1176 L HA 0.116 4.453 4.340 -0.005 0.000 0.284 1176 L C -0.112 176.836 176.870 0.130 0.000 1.120 1176 L CA 0.078 54.971 54.840 0.087 0.000 0.879 1176 L CB -0.815 41.274 42.059 0.050 0.000 1.232 1176 L HN 0.609 nan 8.230 nan 0.000 0.454 1177 N N 4.398 123.203 118.700 0.175 0.000 2.950 1177 N HA 0.083 4.819 4.740 -0.005 0.000 0.313 1177 N C 0.325 175.881 175.510 0.077 0.000 1.213 1177 N CA 0.088 53.292 53.050 0.258 0.000 1.184 1177 N CB -0.415 38.227 38.487 0.258 0.000 1.454 1177 N HN 0.618 nan 8.380 nan 0.000 0.532 1178 I N -1.625 118.938 120.570 -0.012 0.000 2.499 1178 I HA 0.376 4.543 4.170 -0.005 0.000 0.296 1178 I C -0.451 175.604 176.117 -0.103 0.000 0.992 1178 I CA -0.800 60.474 61.300 -0.043 0.000 1.297 1178 I CB 1.334 39.312 38.000 -0.037 0.000 1.410 1178 I HN 0.116 nan 8.210 nan 0.000 0.507 1179 Q N 6.484 126.243 119.800 -0.067 0.000 2.589 1179 Q HA 0.266 4.602 4.340 -0.005 0.000 0.245 1179 Q C -1.064 174.907 176.000 -0.047 0.000 0.931 1179 Q CA -0.672 55.086 55.803 -0.075 0.000 0.730 1179 Q CB 0.897 29.600 28.738 -0.058 0.000 1.315 1179 Q HN 0.980 nan 8.270 nan 0.000 0.469 1180 R N 0.903 121.374 120.500 -0.049 0.000 4.902 1180 R HA 0.429 4.766 4.340 -0.005 0.000 0.201 1180 R C 0.627 176.909 176.300 -0.030 0.000 2.020 1180 R CA 0.567 56.647 56.100 -0.035 0.000 1.674 1180 R CB -0.639 29.641 30.300 -0.034 0.000 1.349 1180 R HN 0.880 nan 8.270 nan 0.000 0.813 1181 G N 0.780 109.564 108.800 -0.027 0.000 3.922 1181 G HA2 -0.300 3.656 3.960 -0.005 0.000 0.208 1181 G HA3 -0.300 3.656 3.960 -0.005 0.000 0.208 1181 G C 0.343 175.229 174.900 -0.023 0.000 1.491 1181 G CA 0.321 45.407 45.100 -0.022 0.000 1.017 1181 G HN 0.474 nan 8.290 nan 0.000 0.603 1182 D N 0.697 121.080 120.400 -0.029 0.000 3.161 1182 D HA 0.193 4.830 4.640 -0.005 0.000 0.287 1182 D C 1.685 177.959 176.300 -0.043 0.000 1.343 1182 D CA 1.007 54.989 54.000 -0.029 0.000 1.070 1182 D CB -0.549 40.237 40.800 -0.023 0.000 1.188 1182 D HN 0.797 nan 8.370 nan 0.000 0.409 1183 S N 1.072 116.741 115.700 -0.051 0.000 2.673 1183 S HA 0.071 4.538 4.470 -0.005 0.000 0.308 1183 S C 0.092 174.623 174.600 -0.115 0.000 1.246 1183 S CA 0.066 58.221 58.200 -0.075 0.000 1.077 1183 S CB 0.176 63.335 63.200 -0.069 0.000 0.814 1183 S HN 0.051 nan 8.310 nan 0.000 0.503 1184 T N 5.461 119.917 114.554 -0.163 0.000 3.331 1184 T HA 0.403 4.750 4.350 -0.005 0.000 0.381 1184 T C 0.465 174.828 174.700 -0.562 0.000 1.656 1184 T CA -0.634 61.301 62.100 -0.275 0.000 1.453 1184 T CB -0.690 68.075 68.868 -0.172 0.000 1.066 1184 T HN 0.734 nan 8.240 nan 0.000 0.655 1185 I N -1.272 118.994 120.570 -0.508 0.000 3.078 1185 I HA 0.670 4.837 4.170 -0.005 0.000 0.318 1185 I C -1.041 174.609 176.117 -0.779 0.000 1.016 1185 I CA -1.378 59.591 61.300 -0.551 0.000 1.130 1185 I CB 1.007 38.877 38.000 -0.217 0.000 1.397 1185 I HN 0.220 nan 8.210 nan 0.000 0.570 1186 Y N 2.942 123.244 120.300 0.005 0.000 2.609 1186 Y HA 0.474 5.021 4.550 -0.005 0.000 0.350 1186 Y C -0.517 175.386 175.900 0.006 0.000 1.050 1186 Y CA -0.831 57.272 58.100 0.005 0.000 1.290 1186 Y CB 0.646 39.109 38.460 0.005 0.000 1.094 1186 Y HN 0.253 nan 8.280 nan 0.000 0.583 1187 L N 2.780 124.059 121.223 0.092 0.000 2.454 1187 L HA 0.472 4.809 4.340 -0.005 0.000 0.256 1187 L C 0.484 177.395 176.870 0.070 0.000 1.136 1187 L CA -0.721 54.158 54.840 0.064 0.000 0.804 1187 L CB 0.793 42.870 42.059 0.029 0.000 1.181 1187 L HN 0.517 nan 8.230 nan 0.000 0.469 1188 L N 0.000 121.254 121.223 0.052 0.000 2.949 1188 L HA 0.000 4.337 4.340 -0.005 0.000 0.249 1188 L CA 0.000 54.867 54.840 0.045 0.000 0.813 1188 L CB 0.000 42.082 42.059 0.038 0.000 0.961 1188 L HN 0.000 nan 8.230 nan 0.000 0.502