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_K DATA FIRST_RESID 3911 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 3911 Q HA 0.000 nan 4.340 nan 0.000 0.214 3911 Q C 0.000 175.996 176.000 -0.006 0.000 1.003 3911 Q CA 0.000 55.800 55.803 -0.004 0.000 1.022 3911 Q CB 0.000 28.735 28.738 -0.004 0.000 1.108 3912 M N 0.951 120.546 119.600 -0.008 0.000 2.472 3912 M HA 0.825 5.305 4.480 -0.001 0.000 0.331 3912 M C -2.105 174.187 176.300 -0.015 0.000 1.170 3912 M CA -1.840 53.453 55.300 -0.011 0.000 1.009 3912 M CB 0.281 32.875 32.600 -0.010 0.000 1.672 3912 M HN 0.174 nan 8.290 nan 0.000 0.453 3913 P HA 0.305 nan 4.420 nan 0.000 0.269 3913 P C -0.959 176.324 177.300 -0.029 0.000 1.215 3913 P CA -0.222 62.861 63.100 -0.028 0.000 0.780 3913 P CB 0.757 32.434 31.700 -0.038 0.000 0.898 3914 S N 0.123 115.805 115.700 -0.031 0.000 2.543 3914 S HA 0.279 4.748 4.470 -0.001 0.000 0.274 3914 S C 0.114 174.696 174.600 -0.030 0.000 1.149 3914 S CA -0.680 57.502 58.200 -0.028 0.000 0.866 3914 S CB 0.453 63.643 63.200 -0.017 0.000 1.111 3914 S HN 0.301 nan 8.310 nan 0.000 0.457 3915 L N 3.021 124.226 121.223 -0.030 0.000 2.558 3915 L HA 0.242 4.581 4.340 -0.001 0.000 0.225 3915 L C 2.528 179.392 176.870 -0.011 0.000 1.128 3915 L CA 0.771 55.596 54.840 -0.025 0.000 0.868 3915 L CB -0.524 41.519 42.059 -0.027 0.000 1.006 3915 L HN 0.824 nan 8.230 nan 0.000 0.454 3916 A N 1.237 124.052 122.820 -0.009 0.000 1.940 3916 A HA -0.119 4.201 4.320 -0.001 0.000 0.219 3916 A C -0.121 177.462 177.584 -0.001 0.000 1.176 3916 A CA 1.527 53.562 52.037 -0.003 0.000 0.631 3916 A CB -1.465 17.534 19.000 -0.002 0.000 0.814 3916 A HN 0.258 nan 8.150 nan 0.000 0.446 3917 P HA -0.147 nan 4.420 nan 0.000 0.217 3917 P C 1.688 178.988 177.300 0.000 0.000 1.150 3917 P CA 1.767 64.866 63.100 -0.001 0.000 0.832 3917 P CB -0.143 31.555 31.700 -0.003 0.000 0.787 3918 M N -2.923 116.677 119.600 -0.000 0.000 2.394 3918 M HA 0.078 4.558 4.480 -0.001 0.000 0.266 3918 M C 1.692 177.995 176.300 0.005 0.000 1.098 3918 M CA 1.780 57.081 55.300 0.003 0.000 1.149 3918 M CB -1.673 30.929 32.600 0.003 0.000 1.369 3918 M HN -0.232 nan 8.290 nan 0.000 0.450 3919 L N 0.495 121.721 121.223 0.005 0.000 2.127 3919 L HA -0.160 4.179 4.340 -0.001 0.000 0.211 3919 L C 2.284 179.159 176.870 0.009 0.000 1.089 3919 L CA 1.568 56.413 54.840 0.008 0.000 0.757 3919 L CB -0.877 41.187 42.059 0.008 0.000 0.899 3919 L HN 0.481 nan 8.230 nan 0.000 0.434 3920 E N 0.047 120.252 120.200 0.007 0.000 2.204 3920 E HA -0.185 4.164 4.350 -0.001 0.000 0.194 3920 E C 1.843 178.448 176.600 0.008 0.000 0.989 3920 E CA 0.799 57.204 56.400 0.008 0.000 0.824 3920 E CB 0.112 29.817 29.700 0.007 0.000 0.756 3920 E HN 0.457 nan 8.360 nan 0.000 0.477 3921 K N -0.019 120.385 120.400 0.007 0.000 2.426 3921 K HA 0.049 4.368 4.320 -0.001 0.000 0.193 3921 K C 1.601 178.206 176.600 0.008 0.000 1.028 3921 K CA 0.196 56.487 56.287 0.007 0.000 1.047 3921 K CB 0.757 33.261 32.500 0.006 0.000 0.821 3921 K HN -0.025 nan 8.250 nan 0.000 0.513 3922 V N 0.739 120.658 119.914 0.009 0.000 2.690 3922 V HA -0.101 4.018 4.120 -0.001 0.000 0.240 3922 V C 2.038 178.139 176.094 0.012 0.000 1.078 3922 V CA 0.697 63.004 62.300 0.011 0.000 1.102 3922 V CB -0.100 31.730 31.823 0.012 0.000 0.800 3922 V HN 0.218 nan 8.190 nan 0.000 0.479 3923 M N 0.162 119.770 119.600 0.013 0.000 2.146 3923 M HA -0.172 4.307 4.480 -0.001 0.000 0.256 3923 M C -0.124 176.186 176.300 0.016 0.000 1.075 3923 M CA 2.171 57.480 55.300 0.016 0.000 1.082 3923 M CB -2.509 30.102 32.600 0.018 0.000 1.355 3923 M HN 0.265 nan 8.290 nan 0.000 0.402 3924 P HA -0.048 nan 4.420 nan 0.000 0.223 3924 P C 1.159 178.464 177.300 0.007 0.000 1.144 3924 P CA 1.084 64.193 63.100 0.014 0.000 0.783 3924 P CB -0.057 31.650 31.700 0.012 0.000 0.771 3925 S N -1.560 114.144 115.700 0.006 0.000 2.524 3925 S HA 0.066 4.535 4.470 -0.001 0.000 0.216 3925 S C 0.815 175.418 174.600 0.004 0.000 0.987 3925 S CA 0.082 58.283 58.200 0.001 0.000 0.909 3925 S CB -0.089 63.113 63.200 0.003 0.000 0.781 3925 S HN -0.063 nan 8.310 nan 0.000 0.521 3926 V N 3.390 123.310 119.914 0.011 0.000 2.465 3926 V HA 0.467 4.586 4.120 -0.001 0.000 0.279 3926 V C 0.184 176.289 176.094 0.018 0.000 1.045 3926 V CA -0.566 61.742 62.300 0.014 0.000 0.938 3926 V CB 1.201 33.035 31.823 0.018 0.000 0.986 3926 V HN 0.242 nan 8.190 nan 0.000 0.467 3927 V N 2.613 122.537 119.914 0.017 0.000 3.103 3927 V HA 0.843 4.962 4.120 -0.001 0.000 0.318 3927 V C -0.125 175.986 176.094 0.028 0.000 1.114 3927 V CA -0.491 61.824 62.300 0.026 0.000 1.020 3927 V CB 2.393 34.227 31.823 0.019 0.000 1.085 3927 V HN 0.733 nan 8.190 nan 0.000 0.446 3928 S N 1.536 117.259 115.700 0.038 0.000 2.638 3928 S HA 0.830 5.299 4.470 -0.001 0.000 0.298 3928 S C -0.515 174.108 174.600 0.038 0.000 1.111 3928 S CA -0.559 57.663 58.200 0.036 0.000 1.027 3928 S CB 1.320 64.544 63.200 0.041 0.000 1.064 3928 S HN 0.721 nan 8.310 nan 0.000 0.525 3929 I N 2.019 122.608 120.570 0.032 0.000 2.534 3929 I HA 0.363 4.532 4.170 -0.001 0.000 0.288 3929 I C -1.239 174.898 176.117 0.034 0.000 1.077 3929 I CA -0.617 60.702 61.300 0.032 0.000 1.051 3929 I CB 2.182 40.194 38.000 0.020 0.000 1.234 3929 I HN 0.473 nan 8.210 nan 0.000 0.425 3930 N N 4.517 123.238 118.700 0.035 0.000 2.442 3930 N HA 0.543 5.283 4.740 -0.001 0.000 0.274 3930 N C -1.127 174.397 175.510 0.024 0.000 1.002 3930 N CA -0.276 52.792 53.050 0.031 0.000 0.910 3930 N CB 2.268 40.770 38.487 0.025 0.000 1.244 3930 N HN 0.169 nan 8.380 nan 0.000 0.492 3931 V N 1.361 121.293 119.914 0.029 0.000 2.630 3931 V HA 0.509 4.628 4.120 -0.001 0.000 0.305 3931 V C -0.107 175.943 176.094 -0.074 0.000 1.046 3931 V CA -0.717 61.592 62.300 0.014 0.000 0.934 3931 V CB 1.828 33.701 31.823 0.083 0.000 1.003 3931 V HN 0.605 nan 8.190 nan 0.000 0.451 3932 E N 1.792 121.902 120.200 -0.150 0.000 2.256 3932 E HA 0.729 5.078 4.350 -0.001 0.000 0.268 3932 E C -0.465 175.896 176.600 -0.398 0.000 0.877 3932 E CA -0.324 55.896 56.400 -0.301 0.000 0.757 3932 E CB 2.196 31.797 29.700 -0.165 0.000 1.183 3932 E HN 0.923 nan 8.360 nan 0.000 0.418 3933 G N 1.378 109.692 108.800 -0.809 0.000 2.495 3933 G HA2 0.467 4.426 3.960 -0.001 0.000 0.294 3933 G HA3 0.467 4.426 3.960 -0.001 0.000 0.294 3933 G C -1.199 173.419 174.900 -0.470 0.000 1.397 3933 G CA -0.158 44.631 45.100 -0.520 0.000 0.790 3933 G HN 0.641 nan 8.290 nan 0.000 0.486 3934 S N -1.834 113.942 115.700 0.127 0.000 2.740 3934 S HA 0.923 5.392 4.470 -0.001 0.000 0.300 3934 S C -0.437 174.402 174.600 0.397 0.000 1.147 3934 S CA 0.101 58.474 58.200 0.287 0.000 0.871 3934 S CB 2.100 65.379 63.200 0.133 0.000 1.173 3934 S HN 1.828 nan 8.310 nan 0.000 0.510 3935 T N -0.704 114.009 114.554 0.265 0.000 2.718 3935 T HA 0.509 4.858 4.350 -0.001 0.000 0.306 3935 T C -1.543 173.219 174.700 0.103 0.000 1.485 3935 T CA -0.414 61.779 62.100 0.155 0.000 0.997 3935 T CB 1.333 70.254 68.868 0.087 0.000 1.504 3935 T HN 0.723 nan 8.240 nan 0.000 0.497 3936 T N 1.955 116.548 114.554 0.065 0.000 2.743 3936 T HA 0.611 4.960 4.350 -0.001 0.000 0.293 3936 T C -0.398 174.328 174.700 0.043 0.000 0.945 3936 T CA -0.288 61.843 62.100 0.053 0.000 1.030 3936 T CB 0.807 69.700 68.868 0.041 0.000 0.912 3936 T HN 0.588 nan 8.240 nan 0.000 0.483 3937 V N 4.713 124.657 119.914 0.049 0.000 2.919 3937 V HA 0.551 4.670 4.120 -0.001 0.000 0.316 3937 V C -0.490 175.632 176.094 0.047 0.000 1.077 3937 V CA -1.075 61.253 62.300 0.047 0.000 0.977 3937 V CB 2.064 33.920 31.823 0.055 0.000 1.039 3937 V HN 0.796 nan 8.190 nan 0.000 0.441 3938 N N 1.841 120.572 118.700 0.052 0.000 2.513 3938 N HA 0.260 5.000 4.740 -0.001 0.000 0.274 3938 N C -0.408 175.136 175.510 0.057 0.000 1.189 3938 N CA -0.123 52.960 53.050 0.055 0.000 0.975 3938 N CB 0.963 39.493 38.487 0.070 0.000 1.157 3938 N HN 0.724 nan 8.380 nan 0.000 0.465 3939 T N 2.992 117.578 114.554 0.052 0.000 2.752 3939 T HA 0.220 4.569 4.350 -0.001 0.000 0.295 3939 T C -2.107 172.624 174.700 0.052 0.000 0.923 3939 T CA -0.771 61.357 62.100 0.046 0.000 1.112 3939 T CB 0.313 69.204 68.868 0.038 0.000 0.884 3939 T HN 0.252 nan 8.240 nan 0.000 0.525 3940 P HA 0.109 nan 4.420 nan 0.000 0.264 3940 P C -0.159 177.158 177.300 0.029 0.000 1.193 3940 P CA -0.196 62.925 63.100 0.034 0.000 0.763 3940 P CB 0.480 32.191 31.700 0.019 0.000 0.810 3941 R N 3.280 123.796 120.500 0.028 0.000 2.294 3941 R HA 0.536 4.875 4.340 -0.001 0.000 0.319 3941 R C -0.167 176.132 176.300 -0.002 0.000 0.984 3941 R CA -0.669 55.445 56.100 0.024 0.000 0.861 3941 R CB 1.109 31.438 30.300 0.049 0.000 1.104 3941 R HN 0.475 nan 8.270 nan 0.000 0.451 3942 M N 2.119 121.717 119.600 -0.003 0.000 2.644 3942 M HA 0.425 4.904 4.480 -0.001 0.000 0.316 3942 M C -1.767 174.524 176.300 -0.013 0.000 1.200 3942 M CA -1.729 53.563 55.300 -0.013 0.000 0.944 3942 M CB 1.018 33.613 32.600 -0.007 0.000 1.691 3942 M HN 0.394 nan 8.290 nan 0.000 0.471 3943 P HA 0.382 nan 4.420 nan 0.000 0.288 3943 P C -1.197 176.079 177.300 -0.040 0.000 1.291 3943 P CA -0.474 62.611 63.100 -0.026 0.000 0.766 3943 P CB 0.524 32.207 31.700 -0.028 0.000 1.242 3944 R N 1.368 121.845 120.500 -0.038 0.000 2.310 3944 R HA 0.375 4.714 4.340 -0.001 0.000 0.324 3944 R C -0.535 175.733 176.300 -0.055 0.000 0.955 3944 R CA -0.522 55.547 56.100 -0.053 0.000 0.830 3944 R CB -0.108 30.174 30.300 -0.031 0.000 1.154 3944 R HN 0.359 nan 8.270 nan 0.000 0.458 3945 N N 3.757 122.394 118.700 -0.105 0.000 2.511 3945 N HA 0.051 4.790 4.740 -0.001 0.000 0.249 3945 N C 0.373 175.781 175.510 -0.170 0.000 0.971 3945 N CA -0.276 52.668 53.050 -0.176 0.000 0.938 3945 N CB 0.600 38.967 38.487 -0.201 0.000 1.131 3945 N HN 0.440 nan 8.380 nan 0.000 0.505 3946 F N 2.616 122.507 119.950 -0.097 0.000 2.771 3946 F HA 0.082 4.609 4.527 -0.001 0.000 0.299 3946 F C 1.021 176.770 175.800 -0.084 0.000 1.177 3946 F CA 0.158 58.107 58.000 -0.085 0.000 1.450 3946 F CB -0.086 38.881 39.000 -0.055 0.000 1.114 3946 F HN 0.458 nan 8.300 nan 0.000 0.587 3947 Q N 1.126 120.661 119.800 -0.441 0.000 2.211 3947 Q HA 0.219 4.558 4.340 -0.001 0.000 0.301 3947 Q C -0.376 175.369 176.000 -0.424 0.000 0.884 3947 Q CA -0.329 55.268 55.803 -0.343 0.000 1.115 3947 Q CB 0.216 28.687 28.738 -0.445 0.000 1.217 3947 Q HN 0.683 nan 8.270 nan 0.000 0.451 3948 Q N 1.361 120.907 119.800 -0.422 0.000 3.147 3948 Q HA 0.219 4.558 4.340 -0.001 0.000 0.224 3948 Q C -1.508 174.270 176.000 -0.370 0.000 0.901 3948 Q CA -0.763 54.726 55.803 -0.523 0.000 0.729 3948 Q CB 0.576 29.135 28.738 -0.299 0.000 1.363 3948 Q HN 0.400 nan 8.270 nan 0.000 0.467 3949 F N 3.662 123.667 119.950 0.091 0.000 2.556 3949 F HA 0.286 4.812 4.527 -0.000 0.000 0.344 3949 F C 0.309 176.283 175.800 0.289 0.000 1.255 3949 F CA -1.223 56.888 58.000 0.185 0.000 1.091 3949 F CB -1.089 37.994 39.000 0.137 0.000 1.325 3949 F HN 0.316 nan 8.300 nan 0.000 0.627 3950 F N 1.178 121.204 119.950 0.126 0.000 2.290 3950 F HA 0.620 5.146 4.527 -0.001 0.000 0.282 3950 F C 0.954 176.816 175.800 0.103 0.000 1.251 3950 F CA -0.528 57.525 58.000 0.088 0.000 1.269 3950 F CB -0.410 38.616 39.000 0.043 0.000 1.455 3950 F HN 0.880 nan 8.300 nan 0.000 0.501 3951 G N -0.269 108.360 108.800 -0.284 0.000 3.277 3951 G HA2 0.346 4.306 3.960 -0.001 0.000 0.684 3951 G HA3 0.346 4.306 3.960 -0.001 0.000 0.684 3951 G C -0.646 174.174 174.900 -0.134 0.000 0.923 3951 G CA -0.489 44.367 45.100 -0.406 0.000 0.779 3951 G HN 1.675 nan 8.290 nan 0.000 0.508 3952 G N 1.753 110.571 108.800 0.031 0.000 2.741 3952 G HA2 0.930 4.890 3.960 -0.001 0.000 0.293 3952 G HA3 0.930 4.890 3.960 -0.001 0.000 0.293 3952 G C -0.643 174.278 174.900 0.035 0.000 1.457 3952 G CA 0.226 45.345 45.100 0.032 0.000 1.098 3952 G HN 1.476 nan 8.290 nan 0.000 0.536 3953 Q N 1.261 121.085 119.800 0.040 0.000 2.386 3953 Q HA 0.455 4.794 4.340 -0.001 0.000 0.274 3953 Q C -1.288 174.743 176.000 0.052 0.000 1.011 3953 Q CA -1.238 54.590 55.803 0.042 0.000 0.867 3953 Q CB 1.808 30.570 28.738 0.039 0.000 1.409 3953 Q HN 0.310 nan 8.270 nan 0.000 0.395 3954 Q N 1.426 121.260 119.800 0.056 0.000 2.373 3954 Q HA 0.305 4.644 4.340 -0.001 0.000 0.255 3954 Q C -0.966 175.079 176.000 0.076 0.000 0.980 3954 Q CA 0.240 56.086 55.803 0.072 0.000 0.882 3954 Q CB 1.213 29.994 28.738 0.072 0.000 1.249 3954 Q HN 0.566 nan 8.270 nan 0.000 0.438 3955 Q N 0.908 120.770 119.800 0.104 0.000 2.305 3955 Q HA 0.337 4.676 4.340 -0.001 0.000 0.271 3955 Q C -1.215 174.879 176.000 0.157 0.000 1.046 3955 Q CA -0.349 55.521 55.803 0.111 0.000 0.798 3955 Q CB 1.712 30.517 28.738 0.112 0.000 1.286 3955 Q HN 0.268 nan 8.270 nan 0.000 0.435 3956 K N 2.352 122.810 120.400 0.097 0.000 2.237 3956 K HA 0.568 4.887 4.320 -0.001 0.000 0.270 3956 K C -0.429 176.232 176.600 0.102 0.000 1.015 3956 K CA -0.197 56.109 56.287 0.032 0.000 0.949 3956 K CB 0.591 33.068 32.500 -0.038 0.000 0.976 3956 K HN 0.561 nan 8.250 nan 0.000 0.472 3957 F N -1.214 118.755 119.950 0.032 0.000 2.685 3957 F HA 0.618 5.144 4.527 -0.001 0.000 0.315 3957 F C -1.147 174.673 175.800 0.032 0.000 1.126 3957 F CA -1.421 56.598 58.000 0.032 0.000 0.950 3957 F CB 1.261 40.282 39.000 0.035 0.000 1.360 3957 F HN 0.212 nan 8.300 nan 0.000 0.469 3958 M N 2.080 121.759 119.600 0.132 0.000 2.393 3958 M HA 0.772 5.251 4.480 -0.001 0.000 0.299 3958 M C -1.033 175.418 176.300 0.251 0.000 1.103 3958 M CA -0.809 54.518 55.300 0.044 0.000 0.910 3958 M CB 2.368 34.984 32.600 0.028 0.000 1.659 3958 M HN 0.988 nan 8.290 nan 0.000 0.445 3959 A N 3.395 126.343 122.820 0.212 0.000 2.469 3959 A HA 1.019 5.338 4.320 -0.001 0.000 0.299 3959 A C -1.654 176.000 177.584 0.117 0.000 1.098 3959 A CA -0.769 51.397 52.037 0.215 0.000 0.737 3959 A CB 1.947 21.120 19.000 0.289 0.000 1.312 3959 A HN 0.968 nan 8.150 nan 0.000 0.414 3960 L N 0.204 121.483 121.223 0.092 0.000 2.472 3960 L HA 0.947 5.286 4.340 -0.001 0.000 0.260 3960 L C -0.439 176.455 176.870 0.040 0.000 0.963 3960 L CA -0.105 54.770 54.840 0.059 0.000 0.829 3960 L CB 1.898 43.992 42.059 0.057 0.000 1.348 3960 L HN 1.257 nan 8.230 nan 0.000 0.408 3961 G N 1.475 110.286 108.800 0.018 0.000 2.682 3961 G HA2 0.615 4.574 3.960 -0.001 0.000 0.303 3961 G HA3 0.615 4.574 3.960 -0.001 0.000 0.303 3961 G C -1.761 173.139 174.900 -0.000 0.000 1.341 3961 G CA -0.459 44.639 45.100 -0.003 0.000 0.784 3961 G HN 0.665 nan 8.290 nan 0.000 0.497 3962 S N -1.954 113.742 115.700 -0.006 0.000 2.704 3962 S HA 0.918 5.387 4.470 -0.001 0.000 0.305 3962 S C 0.093 174.691 174.600 -0.003 0.000 1.107 3962 S CA 0.038 58.240 58.200 0.004 0.000 0.993 3962 S CB 1.731 64.937 63.200 0.010 0.000 1.110 3962 S HN 1.394 nan 8.310 nan 0.000 0.534 3963 G N -0.340 108.463 108.800 0.005 0.000 2.684 3963 G HA2 0.617 4.577 3.960 -0.001 0.000 0.290 3963 G HA3 0.617 4.577 3.960 -0.001 0.000 0.290 3963 G C -2.002 172.903 174.900 0.008 0.000 1.425 3963 G CA -0.447 44.655 45.100 0.003 0.000 0.822 3963 G HN 0.611 nan 8.290 nan 0.000 0.482 3964 V N 0.990 120.908 119.914 0.008 0.000 2.531 3964 V HA 0.382 4.501 4.120 -0.001 0.000 0.301 3964 V C 0.077 176.177 176.094 0.009 0.000 1.034 3964 V CA -0.615 61.690 62.300 0.008 0.000 0.865 3964 V CB 1.647 33.476 31.823 0.011 0.000 0.995 3964 V HN 0.665 nan 8.190 nan 0.000 0.424 3965 I N 5.038 125.609 120.570 0.002 0.000 2.587 3965 I HA 0.076 4.246 4.170 -0.001 0.000 0.284 3965 I C 0.682 176.808 176.117 0.014 0.000 1.134 3965 I CA 0.459 61.758 61.300 -0.000 0.000 1.410 3965 I CB 0.781 38.766 38.000 -0.025 0.000 1.392 3965 I HN 0.567 nan 8.210 nan 0.000 0.545 3966 I N 4.193 124.786 120.570 0.039 0.000 4.323 3966 I HA 0.152 4.321 4.170 -0.001 0.000 0.328 3966 I C 0.053 176.209 176.117 0.066 0.000 1.310 3966 I CA 0.755 62.082 61.300 0.045 0.000 1.186 3966 I CB 0.252 38.275 38.000 0.037 0.000 1.130 3966 I HN 0.475 nan 8.210 nan 0.000 0.411 3967 D N -0.244 120.206 120.400 0.083 0.000 2.386 3967 D HA 0.406 5.045 4.640 -0.001 0.000 0.247 3967 D C 0.805 177.084 176.300 -0.035 0.000 1.336 3967 D CA 0.130 54.165 54.000 0.058 0.000 0.976 3967 D CB 1.560 42.463 40.800 0.172 0.000 1.257 3967 D HN 0.034 nan 8.370 nan 0.000 0.570 3968 A N 3.405 126.199 122.820 -0.043 0.000 1.933 3968 A HA -0.154 4.165 4.320 -0.001 0.000 0.218 3968 A C 1.612 179.132 177.584 -0.107 0.000 1.175 3968 A CA 1.540 53.534 52.037 -0.073 0.000 0.628 3968 A CB -0.094 18.875 19.000 -0.050 0.000 0.814 3968 A HN 0.530 nan 8.150 nan 0.000 0.444 3969 D N -0.631 119.707 120.400 -0.104 0.000 2.103 3969 D HA -0.044 4.596 4.640 -0.001 0.000 0.199 3969 D C 1.840 178.020 176.300 -0.199 0.000 0.978 3969 D CA 0.969 54.896 54.000 -0.122 0.000 0.829 3969 D CB 0.026 40.771 40.800 -0.091 0.000 0.981 3969 D HN 0.135 nan 8.370 nan 0.000 0.464 3970 K N -0.265 119.947 120.400 -0.313 0.000 2.459 3970 K HA 0.140 4.459 4.320 -0.001 0.000 0.193 3970 K C 0.883 177.135 176.600 -0.581 0.000 1.030 3970 K CA 0.597 56.542 56.287 -0.571 0.000 1.026 3970 K CB 0.375 32.212 32.500 -1.105 0.000 0.809 3970 K HN 0.218 nan 8.250 nan 0.000 0.504 3971 G N 1.782 110.368 108.800 -0.356 0.000 2.272 3971 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.280 3971 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.280 3971 G C -0.413 174.403 174.900 -0.139 0.000 1.067 3971 G CA -0.037 44.916 45.100 -0.246 0.000 0.902 3971 G HN 0.394 nan 8.290 nan 0.000 0.500 3972 Y N -0.820 119.442 120.300 -0.064 0.000 2.404 3972 Y HA 0.439 4.988 4.550 -0.001 0.000 0.344 3972 Y C 0.674 176.546 175.900 -0.048 0.000 0.995 3972 Y CA -1.146 56.924 58.100 -0.049 0.000 1.201 3972 Y CB 1.455 39.891 38.460 -0.041 0.000 1.151 3972 Y HN 0.065 nan 8.280 nan 0.000 0.517 3973 V N 5.796 125.790 119.914 0.134 0.000 2.448 3973 V HA 0.217 4.336 4.120 -0.001 0.000 0.295 3973 V C -0.382 175.729 176.094 0.028 0.000 1.025 3973 V CA -0.886 61.445 62.300 0.052 0.000 0.859 3973 V CB 1.787 33.623 31.823 0.023 0.000 0.988 3973 V HN 0.498 nan 8.190 nan 0.000 0.431 3974 V N 5.326 125.247 119.914 0.012 0.000 2.607 3974 V HA 0.786 4.905 4.120 -0.001 0.000 0.289 3974 V C 0.199 176.291 176.094 -0.005 0.000 1.053 3974 V CA 0.776 63.073 62.300 -0.005 0.000 0.996 3974 V CB 1.755 33.573 31.823 -0.010 0.000 0.995 3974 V HN 1.105 nan 8.190 nan 0.000 0.476 3975 T N 4.007 118.553 114.554 -0.013 0.000 2.665 3975 T HA 0.412 4.762 4.350 -0.001 0.000 0.303 3975 T C -0.982 173.694 174.700 -0.040 0.000 1.334 3975 T CA -0.721 61.364 62.100 -0.025 0.000 1.011 3975 T CB 1.246 70.096 68.868 -0.031 0.000 1.573 3975 T HN 0.745 nan 8.240 nan 0.000 0.492 3976 N N 2.389 121.032 118.700 -0.095 0.000 2.529 3976 N HA 0.268 5.008 4.740 -0.001 0.000 0.278 3976 N C 1.133 176.557 175.510 -0.144 0.000 1.146 3976 N CA -0.570 52.405 53.050 -0.125 0.000 0.980 3976 N CB 0.646 38.944 38.487 -0.315 0.000 1.124 3976 N HN 0.616 nan 8.380 nan 0.000 0.458 3977 N N 1.868 120.550 118.700 -0.030 0.000 2.381 3977 N HA -0.202 4.537 4.740 -0.001 0.000 0.182 3977 N C 0.905 176.423 175.510 0.013 0.000 1.025 3977 N CA 0.866 53.916 53.050 0.000 0.000 0.888 3977 N CB -0.014 38.498 38.487 0.041 0.000 0.965 3977 N HN 0.724 nan 8.380 nan 0.000 0.438 3978 H N -0.779 118.304 119.070 0.021 0.000 2.555 3978 H HA 0.065 4.620 4.556 -0.001 0.000 0.269 3978 H C 1.522 176.862 175.328 0.020 0.000 0.988 3978 H CA 0.414 56.467 56.048 0.008 0.000 1.178 3978 H CB 0.083 29.844 29.762 -0.002 0.000 1.373 3978 H HN 0.069 nan 8.280 nan 0.000 0.588 3979 V N 1.374 121.136 119.914 -0.254 0.000 2.521 3979 V HA -0.128 3.991 4.120 -0.001 0.000 0.239 3979 V C 2.877 178.985 176.094 0.024 0.000 1.053 3979 V CA 1.021 63.250 62.300 -0.117 0.000 1.073 3979 V CB 0.006 31.721 31.823 -0.181 0.000 0.746 3979 V HN 0.453 nan 8.190 nan 0.000 0.476 3980 V N -1.813 118.104 119.914 0.006 0.000 3.306 3980 V HA 0.111 4.230 4.120 -0.001 0.000 0.264 3980 V C 0.897 177.046 176.094 0.092 0.000 1.149 3980 V CA 0.403 62.738 62.300 0.058 0.000 1.143 3980 V CB -0.536 31.306 31.823 0.031 0.000 0.767 3980 V HN 0.458 nan 8.190 nan 0.000 0.476 3981 D N 2.219 122.663 120.400 0.073 0.000 2.533 3981 D HA -0.044 4.595 4.640 -0.001 0.000 0.236 3981 D C 0.872 177.252 176.300 0.132 0.000 1.137 3981 D CA 1.171 55.215 54.000 0.072 0.000 0.867 3981 D CB -0.054 40.769 40.800 0.038 0.000 1.170 3981 D HN 0.492 nan 8.370 nan 0.000 0.474 3982 N N 0.508 119.286 118.700 0.130 0.000 2.800 3982 N HA -0.201 4.538 4.740 -0.001 0.000 0.250 3982 N C -0.541 175.149 175.510 0.301 0.000 1.078 3982 N CA 0.956 54.129 53.050 0.205 0.000 0.804 3982 N CB -1.356 37.255 38.487 0.207 0.000 1.135 3982 N HN 0.528 nan 8.380 nan 0.000 0.565 3983 A N -0.241 122.711 122.820 0.219 0.000 2.407 3983 A HA 0.448 4.768 4.320 -0.001 0.000 0.248 3983 A C 1.321 178.971 177.584 0.109 0.000 1.082 3983 A CA 0.895 53.024 52.037 0.153 0.000 0.785 3983 A CB 0.452 19.518 19.000 0.110 0.000 1.020 3983 A HN 0.229 nan 8.150 nan 0.000 0.489 3984 T N 0.364 114.956 114.554 0.063 0.000 3.056 3984 T HA 0.235 4.585 4.350 -0.001 0.000 0.243 3984 T C 0.025 174.769 174.700 0.073 0.000 0.995 3984 T CA 0.619 62.779 62.100 0.100 0.000 1.091 3984 T CB 0.271 69.177 68.868 0.063 0.000 0.990 3984 T HN 0.378 nan 8.240 nan 0.000 0.464 3985 V N 2.833 122.756 119.914 0.016 0.000 2.525 3985 V HA 0.610 4.730 4.120 -0.001 0.000 0.299 3985 V C -1.371 174.730 176.094 0.012 0.000 1.034 3985 V CA -1.205 61.104 62.300 0.014 0.000 0.863 3985 V CB 1.794 33.609 31.823 -0.014 0.000 0.999 3985 V HN 0.430 nan 8.190 nan 0.000 0.423 3986 I N 4.152 124.742 120.570 0.034 0.000 2.410 3986 I HA 0.623 4.792 4.170 -0.001 0.000 0.286 3986 I C -0.481 175.662 176.117 0.044 0.000 1.009 3986 I CA -0.087 61.235 61.300 0.037 0.000 1.111 3986 I CB 1.170 39.197 38.000 0.046 0.000 1.262 3986 I HN 0.480 nan 8.210 nan 0.000 0.443 3987 K N 5.298 125.722 120.400 0.040 0.000 2.123 3987 K HA 0.796 5.115 4.320 -0.001 0.000 0.259 3987 K C -1.290 175.350 176.600 0.067 0.000 0.960 3987 K CA -0.938 55.382 56.287 0.055 0.000 0.872 3987 K CB 2.357 34.880 32.500 0.039 0.000 1.079 3987 K HN 0.493 nan 8.250 nan 0.000 0.440 3988 V N 2.373 122.348 119.914 0.101 0.000 2.656 3988 V HA 0.278 4.397 4.120 -0.001 0.000 0.307 3988 V C -0.892 175.296 176.094 0.156 0.000 1.051 3988 V CA -0.797 61.568 62.300 0.109 0.000 0.893 3988 V CB 1.727 33.607 31.823 0.095 0.000 0.999 3988 V HN 0.721 nan 8.190 nan 0.000 0.426 3989 Q N 3.837 123.708 119.800 0.119 0.000 2.327 3989 Q HA 0.608 4.947 4.340 -0.001 0.000 0.270 3989 Q C -1.026 175.045 176.000 0.119 0.000 1.022 3989 Q CA -0.581 55.300 55.803 0.129 0.000 0.773 3989 Q CB 1.644 30.428 28.738 0.077 0.000 1.251 3989 Q HN 0.719 nan 8.270 nan 0.000 0.457 3990 L N 1.424 122.746 121.223 0.165 0.000 2.473 3990 L HA 0.047 4.386 4.340 -0.001 0.000 0.265 3990 L C 1.605 178.522 176.870 0.079 0.000 1.243 3990 L CA 0.344 55.254 54.840 0.116 0.000 0.822 3990 L CB 0.371 42.529 42.059 0.165 0.000 1.101 3990 L HN 0.852 nan 8.230 nan 0.000 0.507 3991 S N -0.959 114.775 115.700 0.057 0.000 2.515 3991 S HA -0.120 4.349 4.470 -0.001 0.000 0.231 3991 S C 1.061 175.688 174.600 0.044 0.000 0.987 3991 S CA 0.702 58.929 58.200 0.044 0.000 0.936 3991 S CB -0.325 62.895 63.200 0.034 0.000 0.766 3991 S HN 0.835 nan 8.310 nan 0.000 0.528 3992 D N -0.003 120.429 120.400 0.053 0.000 2.340 3992 D HA 0.253 4.892 4.640 -0.001 0.000 0.220 3992 D C 1.454 177.780 176.300 0.044 0.000 1.039 3992 D CA 0.687 54.715 54.000 0.046 0.000 0.866 3992 D CB -0.479 40.350 40.800 0.049 0.000 0.913 3992 D HN 0.584 nan 8.370 nan 0.000 0.523 3993 G N 0.169 109.001 108.800 0.053 0.000 2.195 3993 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.224 3993 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.224 3993 G C 0.260 175.178 174.900 0.030 0.000 0.990 3993 G CA -0.217 44.906 45.100 0.038 0.000 0.639 3993 G HN 0.430 nan 8.290 nan 0.000 0.514 3994 R N 0.889 121.425 120.500 0.059 0.000 2.543 3994 R HA 0.526 4.865 4.340 -0.001 0.000 0.277 3994 R C 0.363 176.661 176.300 -0.004 0.000 1.074 3994 R CA 0.333 56.430 56.100 -0.005 0.000 1.076 3994 R CB 0.527 30.884 30.300 0.096 0.000 0.993 3994 R HN 0.241 nan 8.270 nan 0.000 0.459 3995 K N 2.453 122.714 120.400 -0.232 0.000 2.164 3995 K HA 0.444 4.764 4.320 -0.001 0.000 0.258 3995 K C -0.944 175.421 176.600 -0.392 0.000 0.951 3995 K CA -0.434 55.771 56.287 -0.136 0.000 0.844 3995 K CB 1.273 33.717 32.500 -0.093 0.000 1.099 3995 K HN 0.247 nan 8.250 nan 0.000 0.435 3996 F N -0.158 119.794 119.950 0.003 0.000 2.675 3996 F HA 0.333 4.859 4.527 -0.001 0.000 0.324 3996 F C -0.071 175.731 175.800 0.005 0.000 1.106 3996 F CA -0.950 57.051 58.000 0.002 0.000 0.970 3996 F CB 1.565 40.566 39.000 0.002 0.000 1.385 3996 F HN 0.342 nan 8.300 nan 0.000 0.489 3997 D N 0.262 120.799 120.400 0.229 0.000 2.272 3997 D HA 0.737 5.376 4.640 -0.001 0.000 0.247 3997 D C -0.925 175.446 176.300 0.118 0.000 0.990 3997 D CA -0.174 53.902 54.000 0.127 0.000 0.931 3997 D CB 2.064 42.916 40.800 0.086 0.000 1.195 3997 D HN 0.669 nan 8.370 nan 0.000 0.477 3998 A N 0.911 123.781 122.820 0.083 0.000 2.515 3998 A HA 0.700 5.019 4.320 -0.001 0.000 0.296 3998 A C -0.980 176.642 177.584 0.063 0.000 1.094 3998 A CA -0.751 51.326 52.037 0.067 0.000 0.718 3998 A CB 1.885 20.919 19.000 0.057 0.000 1.307 3998 A HN 0.364 nan 8.150 nan 0.000 0.408 3999 K N 1.265 121.702 120.400 0.062 0.000 2.426 3999 K HA 0.477 4.796 4.320 -0.001 0.000 0.251 3999 K C -0.976 175.660 176.600 0.060 0.000 0.941 3999 K CA -1.011 55.314 56.287 0.063 0.000 0.808 3999 K CB 1.707 34.246 32.500 0.064 0.000 1.265 3999 K HN 0.661 nan 8.250 nan 0.000 0.432 4000 M N 2.243 121.874 119.600 0.051 0.000 2.252 4000 M HA -0.023 4.457 4.480 -0.001 0.000 0.348 4000 M C 1.008 177.331 176.300 0.037 0.000 1.334 4000 M CA 0.416 55.739 55.300 0.039 0.000 1.071 4000 M CB 0.797 33.415 32.600 0.031 0.000 1.763 4000 M HN 0.666 nan 8.290 nan 0.000 0.452 4001 V N 2.724 122.654 119.914 0.026 0.000 3.539 4001 V HA 0.567 4.687 4.120 -0.001 0.000 0.262 4001 V C 0.364 176.449 176.094 -0.015 0.000 1.381 4001 V CA 1.180 63.489 62.300 0.015 0.000 1.060 4001 V CB 1.068 32.902 31.823 0.019 0.000 0.842 4001 V HN 0.888 nan 8.190 nan 0.000 0.445 4002 G N 0.633 109.421 108.800 -0.020 0.000 2.579 4002 G HA2 0.579 4.538 3.960 -0.001 0.000 0.292 4002 G HA3 0.579 4.538 3.960 -0.001 0.000 0.292 4002 G C -1.579 173.312 174.900 -0.015 0.000 1.484 4002 G CA -0.294 44.793 45.100 -0.022 0.000 0.813 4002 G HN 0.656 nan 8.290 nan 0.000 0.515 4003 K N -0.362 120.034 120.400 -0.007 0.000 2.587 4003 K HA 0.684 5.003 4.320 -0.001 0.000 0.276 4003 K C -2.389 174.214 176.600 0.004 0.000 0.956 4003 K CA -0.974 55.313 56.287 -0.000 0.000 0.857 4003 K CB 2.691 35.196 32.500 0.008 0.000 1.431 4003 K HN 0.490 nan 8.250 nan 0.000 0.420 4004 D N 2.282 122.688 120.400 0.009 0.000 2.337 4004 D HA 0.322 4.961 4.640 -0.001 0.000 0.238 4004 D C -2.184 174.131 176.300 0.024 0.000 1.331 4004 D CA -1.806 52.201 54.000 0.011 0.000 0.967 4004 D CB 1.990 42.792 40.800 0.003 0.000 1.382 4004 D HN 0.275 nan 8.370 nan 0.000 0.549 4005 P HA -0.195 nan 4.420 nan 0.000 0.217 4005 P C 1.511 178.842 177.300 0.052 0.000 1.148 4005 P CA 0.718 63.843 63.100 0.042 0.000 0.834 4005 P CB 0.280 32.000 31.700 0.033 0.000 0.783 4006 R N 0.022 120.546 120.500 0.041 0.000 2.088 4006 R HA -0.102 4.238 4.340 -0.001 0.000 0.232 4006 R C 2.384 178.730 176.300 0.077 0.000 1.136 4006 R CA 2.363 58.493 56.100 0.051 0.000 0.926 4006 R CB -1.560 28.754 30.300 0.025 0.000 0.837 4006 R HN 0.316 nan 8.270 nan 0.000 0.429 4007 S N 0.281 116.007 115.700 0.044 0.000 2.522 4007 S HA -0.107 4.363 4.470 -0.001 0.000 0.227 4007 S C 0.423 175.081 174.600 0.098 0.000 0.986 4007 S CA 0.931 59.152 58.200 0.034 0.000 0.929 4007 S CB -0.049 63.135 63.200 -0.027 0.000 0.769 4007 S HN 0.416 nan 8.310 nan 0.000 0.529 4008 D N -0.041 120.419 120.400 0.099 0.000 2.800 4008 D HA -0.150 4.489 4.640 -0.001 0.000 0.232 4008 D C -0.762 175.596 176.300 0.097 0.000 1.137 4008 D CA 0.603 54.679 54.000 0.126 0.000 0.718 4008 D CB -1.693 39.222 40.800 0.192 0.000 1.084 4008 D HN 0.526 nan 8.370 nan 0.000 0.432 4009 I N 0.094 120.694 120.570 0.050 0.000 2.474 4009 I HA 0.738 4.907 4.170 -0.001 0.000 0.294 4009 I C 0.537 176.656 176.117 0.004 0.000 1.005 4009 I CA -0.680 60.634 61.300 0.022 0.000 1.113 4009 I CB 1.514 39.517 38.000 0.006 0.000 1.289 4009 I HN 0.214 nan 8.210 nan 0.000 0.436 4010 A N 6.900 129.715 122.820 -0.009 0.000 2.498 4010 A HA 0.797 5.116 4.320 -0.001 0.000 0.298 4010 A C -1.546 176.023 177.584 -0.025 0.000 1.075 4010 A CA -0.567 51.460 52.037 -0.015 0.000 0.714 4010 A CB 2.279 21.273 19.000 -0.011 0.000 1.299 4010 A HN 0.668 nan 8.150 nan 0.000 0.407 4011 L N 2.532 123.734 121.223 -0.034 0.000 2.346 4011 L HA 0.760 5.099 4.340 -0.001 0.000 0.276 4011 L C -0.786 176.077 176.870 -0.012 0.000 1.006 4011 L CA -0.789 54.023 54.840 -0.048 0.000 0.817 4011 L CB 1.501 43.487 42.059 -0.123 0.000 1.272 4011 L HN 0.850 nan 8.230 nan 0.000 0.421 4012 I N 0.501 121.087 120.570 0.025 0.000 3.174 4012 I HA 0.548 4.718 4.170 -0.001 0.000 0.313 4012 I C -1.378 174.821 176.117 0.137 0.000 1.155 4012 I CA -0.828 60.510 61.300 0.063 0.000 0.977 4012 I CB 2.441 40.468 38.000 0.045 0.000 1.248 4012 I HN 0.575 nan 8.210 nan 0.000 0.453 4013 Q N 2.496 122.371 119.800 0.126 0.000 2.292 4013 Q HA 0.552 4.891 4.340 -0.001 0.000 0.270 4013 Q C -1.342 174.677 176.000 0.032 0.000 1.024 4013 Q CA -0.807 55.069 55.803 0.121 0.000 0.768 4013 Q CB 2.536 31.363 28.738 0.149 0.000 1.250 4013 Q HN 0.662 nan 8.270 nan 0.000 0.447 4014 I N 3.616 124.166 120.570 -0.034 0.000 2.598 4014 I HA -0.052 4.118 4.170 -0.001 0.000 0.284 4014 I C 0.256 176.353 176.117 -0.034 0.000 1.140 4014 I CA 0.074 61.334 61.300 -0.068 0.000 1.420 4014 I CB 0.547 38.397 38.000 -0.251 0.000 1.387 4014 I HN 0.366 nan 8.210 nan 0.000 0.553 4015 Q N 6.652 126.480 119.800 0.047 0.000 2.295 4015 Q HA 0.142 4.481 4.340 -0.001 0.000 0.259 4015 Q C -0.194 175.874 176.000 0.114 0.000 0.976 4015 Q CA 0.055 55.897 55.803 0.065 0.000 0.923 4015 Q CB 0.614 29.401 28.738 0.081 0.000 1.185 4015 Q HN 0.552 nan 8.270 nan 0.000 0.410 4016 N N 1.099 119.839 118.700 0.066 0.000 2.806 4016 N HA -0.103 4.636 4.740 -0.001 0.000 0.248 4016 N C -2.472 173.123 175.510 0.141 0.000 1.081 4016 N CA 0.188 53.300 53.050 0.104 0.000 0.680 4016 N CB -1.181 37.393 38.487 0.145 0.000 0.941 4016 N HN 0.442 nan 8.380 nan 0.000 0.554 4017 P HA 0.247 nan 4.420 nan 0.000 0.272 4017 P C -0.162 177.134 177.300 -0.006 0.000 1.223 4017 P CA 0.305 63.306 63.100 -0.165 0.000 0.784 4017 P CB 1.031 32.594 31.700 -0.229 0.000 0.923 4018 K N 1.832 122.250 120.400 0.029 0.000 2.535 4018 K HA 0.233 4.552 4.320 -0.001 0.000 0.251 4018 K C -0.667 175.966 176.600 0.055 0.000 0.942 4018 K CA -0.523 55.813 56.287 0.082 0.000 0.798 4018 K CB 0.573 33.173 32.500 0.167 0.000 1.267 4018 K HN 0.356 nan 8.250 nan 0.000 0.434 4019 N N 2.828 121.539 118.700 0.019 0.000 2.650 4019 N HA -0.225 4.514 4.740 -0.001 0.000 0.272 4019 N C -1.187 174.319 175.510 -0.006 0.000 1.058 4019 N CA 0.767 53.824 53.050 0.012 0.000 0.765 4019 N CB -0.766 37.741 38.487 0.034 0.000 0.902 4019 N HN 0.345 nan 8.380 nan 0.000 0.551 4020 L N 0.516 121.712 121.223 -0.045 0.000 2.332 4020 L HA 0.548 4.887 4.340 -0.001 0.000 0.269 4020 L C 0.784 177.629 176.870 -0.042 0.000 1.016 4020 L CA -0.151 54.649 54.840 -0.066 0.000 0.809 4020 L CB 1.798 43.781 42.059 -0.125 0.000 1.280 4020 L HN 0.162 nan 8.230 nan 0.000 0.447 4021 T N 1.460 115.993 114.554 -0.035 0.000 2.824 4021 T HA 0.805 5.154 4.350 -0.001 0.000 0.282 4021 T C -0.658 174.030 174.700 -0.020 0.000 0.993 4021 T CA -0.548 61.540 62.100 -0.021 0.000 0.967 4021 T CB 1.600 70.463 68.868 -0.009 0.000 0.960 4021 T HN 0.684 nan 8.240 nan 0.000 0.441 4022 A N 3.103 125.914 122.820 -0.015 0.000 2.325 4022 A HA 0.814 5.133 4.320 -0.001 0.000 0.333 4022 A C -0.136 177.448 177.584 -0.001 0.000 1.155 4022 A CA -0.781 51.251 52.037 -0.007 0.000 0.814 4022 A CB 0.550 19.547 19.000 -0.004 0.000 1.206 4022 A HN 0.942 nan 8.150 nan 0.000 0.482 4023 I N 0.877 121.449 120.570 0.003 0.000 2.823 4023 I HA 0.233 4.403 4.170 -0.001 0.000 0.290 4023 I C 0.591 176.712 176.117 0.006 0.000 1.091 4023 I CA -0.335 60.968 61.300 0.005 0.000 1.365 4023 I CB 0.722 38.727 38.000 0.008 0.000 1.427 4023 I HN 0.704 nan 8.210 nan 0.000 0.583 4024 K N 7.085 127.488 120.400 0.006 0.000 2.172 4024 K HA 0.365 4.684 4.320 -0.001 0.000 0.276 4024 K C -1.034 175.570 176.600 0.006 0.000 1.013 4024 K CA -0.562 55.728 56.287 0.005 0.000 0.913 4024 K CB 1.035 33.538 32.500 0.005 0.000 1.055 4024 K HN 0.622 nan 8.250 nan 0.000 0.461 4025 M N 3.338 122.940 119.600 0.004 0.000 2.188 4025 M HA 0.264 4.743 4.480 -0.001 0.000 0.357 4025 M C -0.142 176.159 176.300 0.002 0.000 1.204 4025 M CA -0.439 54.863 55.300 0.003 0.000 1.095 4025 M CB 1.711 34.311 32.600 -0.000 0.000 1.604 4025 M HN 0.776 nan 8.290 nan 0.000 0.464 4026 A N 1.837 124.659 122.820 0.003 0.000 2.242 4026 A HA 0.345 4.665 4.320 -0.001 0.000 0.304 4026 A C -0.572 177.012 177.584 -0.001 0.000 1.100 4026 A CA -0.578 51.461 52.037 0.003 0.000 0.860 4026 A CB 0.501 19.505 19.000 0.006 0.000 1.168 4026 A HN 0.713 nan 8.150 nan 0.000 0.503 4027 D N 0.244 120.643 120.400 -0.002 0.000 2.393 4027 D HA 0.293 4.932 4.640 -0.001 0.000 0.232 4027 D C 1.034 177.330 176.300 -0.007 0.000 1.192 4027 D CA 0.300 54.297 54.000 -0.005 0.000 0.882 4027 D CB 0.384 41.181 40.800 -0.005 0.000 1.038 4027 D HN 0.273 nan 8.370 nan 0.000 0.499 4028 S N 2.749 118.444 115.700 -0.009 0.000 2.400 4028 S HA -0.208 4.262 4.470 -0.001 0.000 0.234 4028 S C 1.200 175.792 174.600 -0.013 0.000 1.049 4028 S CA 1.128 59.321 58.200 -0.011 0.000 1.039 4028 S CB -0.051 63.139 63.200 -0.017 0.000 0.856 4028 S HN 0.601 nan 8.310 nan 0.000 0.465 4029 D N 1.345 121.737 120.400 -0.013 0.000 2.311 4029 D HA -0.014 4.625 4.640 -0.001 0.000 0.212 4029 D C 1.528 177.821 176.300 -0.012 0.000 0.972 4029 D CA 0.950 54.942 54.000 -0.013 0.000 0.887 4029 D CB -0.210 40.583 40.800 -0.012 0.000 0.915 4029 D HN 0.477 nan 8.370 nan 0.000 0.497 4030 A N 0.073 122.887 122.820 -0.010 0.000 2.337 4030 A HA 0.175 4.494 4.320 -0.001 0.000 0.227 4030 A C 0.917 178.493 177.584 -0.013 0.000 1.259 4030 A CA -0.240 51.791 52.037 -0.010 0.000 0.870 4030 A CB -0.151 18.845 19.000 -0.007 0.000 0.927 4030 A HN 0.111 nan 8.150 nan 0.000 0.497 4031 L N 0.643 121.857 121.223 -0.014 0.000 2.417 4031 L HA 0.340 4.680 4.340 -0.001 0.000 0.268 4031 L C 0.462 177.316 176.870 -0.026 0.000 1.158 4031 L CA 0.033 54.862 54.840 -0.019 0.000 0.819 4031 L CB 0.624 42.673 42.059 -0.018 0.000 1.112 4031 L HN 0.344 nan 8.230 nan 0.000 0.458 4032 R N 1.366 121.845 120.500 -0.036 0.000 2.725 4032 R HA 0.280 4.619 4.340 -0.001 0.000 0.277 4032 R C 0.632 176.895 176.300 -0.061 0.000 0.987 4032 R CA -0.849 55.224 56.100 -0.044 0.000 0.901 4032 R CB 2.065 32.339 30.300 -0.044 0.000 1.207 4032 R HN 0.314 nan 8.270 nan 0.000 0.463 4033 V N 1.213 121.090 119.914 -0.061 0.000 2.282 4033 V HA -0.229 3.891 4.120 -0.001 0.000 0.249 4033 V C 1.962 177.991 176.094 -0.107 0.000 1.057 4033 V CA 2.593 64.849 62.300 -0.073 0.000 1.032 4033 V CB -0.482 31.305 31.823 -0.060 0.000 0.645 4033 V HN 1.085 nan 8.190 nan 0.000 0.447 4034 G N -0.686 108.039 108.800 -0.126 0.000 2.776 4034 G HA2 -0.075 3.884 3.960 -0.001 0.000 0.209 4034 G HA3 -0.075 3.884 3.960 -0.001 0.000 0.209 4034 G C 0.236 174.943 174.900 -0.322 0.000 1.145 4034 G CA -0.084 44.896 45.100 -0.199 0.000 0.791 4034 G HN 0.456 nan 8.290 nan 0.000 0.530 4035 D N -0.056 120.210 120.400 -0.224 0.000 2.443 4035 D HA 0.116 4.755 4.640 -0.001 0.000 0.239 4035 D C -0.032 176.126 176.300 -0.236 0.000 1.136 4035 D CA 0.144 54.013 54.000 -0.219 0.000 0.879 4035 D CB 0.565 41.312 40.800 -0.089 0.000 1.195 4035 D HN 0.256 nan 8.370 nan 0.000 0.443 4036 Y N 0.487 120.786 120.300 -0.003 0.000 2.346 4036 Y HA 0.221 4.771 4.550 -0.001 0.000 0.330 4036 Y C 1.303 177.203 175.900 -0.001 0.000 1.178 4036 Y CA 0.253 58.352 58.100 -0.001 0.000 1.331 4036 Y CB 1.072 39.533 38.460 0.001 0.000 1.253 4036 Y HN 0.078 nan 8.280 nan 0.000 0.529 4037 T N 2.846 117.521 114.554 0.202 0.000 2.900 4037 T HA 0.519 4.868 4.350 -0.001 0.000 0.295 4037 T C -1.699 173.053 174.700 0.087 0.000 1.044 4037 T CA -0.663 61.501 62.100 0.106 0.000 0.995 4037 T CB 1.590 70.497 68.868 0.065 0.000 1.072 4037 T HN 0.395 nan 8.240 nan 0.000 0.473 4038 V N 2.511 122.460 119.914 0.059 0.000 2.623 4038 V HA 0.873 4.992 4.120 -0.001 0.000 0.304 4038 V C -0.831 175.285 176.094 0.037 0.000 1.054 4038 V CA -0.507 61.819 62.300 0.044 0.000 0.882 4038 V CB 1.247 33.089 31.823 0.032 0.000 1.002 4038 V HN 1.108 nan 8.190 nan 0.000 0.424 4039 A N 7.417 130.258 122.820 0.036 0.000 2.325 4039 A HA 0.936 5.255 4.320 -0.001 0.000 0.333 4039 A C -0.760 176.842 177.584 0.029 0.000 1.155 4039 A CA -0.661 51.396 52.037 0.034 0.000 0.814 4039 A CB 0.976 19.997 19.000 0.035 0.000 1.206 4039 A HN 0.879 nan 8.150 nan 0.000 0.482 4040 I N 1.442 122.028 120.570 0.027 0.000 2.499 4040 I HA 0.670 4.839 4.170 -0.001 0.000 0.288 4040 I C 0.463 176.593 176.117 0.021 0.000 1.048 4040 I CA -0.276 61.038 61.300 0.024 0.000 1.062 4040 I CB 2.316 40.330 38.000 0.023 0.000 1.238 4040 I HN 0.852 nan 8.210 nan 0.000 0.426 4041 G N 3.639 112.448 108.800 0.016 0.000 2.619 4041 G HA2 0.255 4.214 3.960 -0.001 0.000 0.305 4041 G HA3 0.255 4.214 3.960 -0.001 0.000 0.305 4041 G C -1.807 173.093 174.900 0.000 0.000 1.330 4041 G CA -0.708 44.396 45.100 0.007 0.000 0.789 4041 G HN 0.630 nan 8.290 nan 0.000 0.487 4042 N N 0.595 119.288 118.700 -0.013 0.000 2.918 4042 N HA 0.393 5.132 4.740 -0.001 0.000 0.270 4042 N C -1.545 173.919 175.510 -0.076 0.000 1.536 4042 N CA -1.673 51.370 53.050 -0.011 0.000 0.877 4042 N CB 1.613 40.108 38.487 0.013 0.000 1.190 4042 N HN 0.085 nan 8.380 nan 0.000 0.492 4043 P HA -0.186 nan 4.420 nan 0.000 0.216 4043 P C -0.183 176.658 177.300 -0.766 0.000 1.167 4043 P CA 1.699 64.465 63.100 -0.555 0.000 0.933 4043 P CB 0.098 31.413 31.700 -0.642 0.000 0.793 4044 F N -3.905 116.068 119.950 0.037 0.000 2.735 4044 F HA 0.493 5.019 4.527 -0.001 0.000 0.308 4044 F C 1.648 177.469 175.800 0.035 0.000 1.112 4044 F CA 0.313 58.334 58.000 0.035 0.000 1.235 4044 F CB 0.259 39.276 39.000 0.028 0.000 1.027 4044 F HN 0.065 nan 8.300 nan 0.000 0.528 4045 G N 0.895 109.775 108.800 0.133 0.000 2.383 4045 G HA2 -0.347 3.612 3.960 -0.001 0.000 0.229 4045 G HA3 -0.347 3.612 3.960 -0.001 0.000 0.229 4045 G C 1.077 176.040 174.900 0.106 0.000 1.089 4045 G CA 0.278 45.442 45.100 0.106 0.000 0.640 4045 G HN 0.326 nan 8.290 nan 0.000 0.510 4046 L N 1.548 122.856 121.223 0.143 0.000 2.661 4046 L HA 0.364 4.703 4.340 -0.001 0.000 0.236 4046 L C 1.661 178.584 176.870 0.089 0.000 1.176 4046 L CA 1.090 55.996 54.840 0.110 0.000 0.836 4046 L CB -1.282 40.849 42.059 0.120 0.000 0.960 4046 L HN 1.456 nan 8.230 nan 0.000 0.455 4047 G N -0.480 108.369 108.800 0.083 0.000 2.270 4047 G HA2 -0.057 3.903 3.960 -0.001 0.000 0.268 4047 G HA3 -0.057 3.903 3.960 -0.001 0.000 0.268 4047 G C -1.339 173.594 174.900 0.056 0.000 1.312 4047 G CA -0.856 44.281 45.100 0.063 0.000 1.050 4047 G HN -0.025 nan 8.290 nan 0.000 0.474 4048 E N 1.452 121.681 120.200 0.048 0.000 2.035 4048 E HA 0.507 4.856 4.350 -0.001 0.000 0.271 4048 E C -0.381 176.245 176.600 0.043 0.000 0.953 4048 E CA -0.166 56.258 56.400 0.040 0.000 0.777 4048 E CB 1.087 30.807 29.700 0.034 0.000 1.104 4048 E HN 0.504 nan 8.360 nan 0.000 0.408 4049 T N 1.160 115.741 114.554 0.045 0.000 2.829 4049 T HA 0.389 4.738 4.350 -0.001 0.000 0.282 4049 T C 0.155 174.878 174.700 0.038 0.000 0.990 4049 T CA -0.688 61.443 62.100 0.051 0.000 1.028 4049 T CB 1.631 70.540 68.868 0.068 0.000 0.951 4049 T HN 0.254 nan 8.240 nan 0.000 0.460 4050 V N 1.921 121.857 119.914 0.037 0.000 2.628 4050 V HA 0.889 5.009 4.120 -0.001 0.000 0.306 4050 V C -0.464 175.651 176.094 0.034 0.000 1.045 4050 V CA -0.188 62.131 62.300 0.031 0.000 0.905 4050 V CB 1.981 33.819 31.823 0.025 0.000 0.997 4050 V HN 0.925 nan 8.190 nan 0.000 0.436 4051 T N 3.734 118.308 114.554 0.033 0.000 2.909 4051 T HA 0.712 5.062 4.350 -0.001 0.000 0.299 4051 T C -0.460 174.260 174.700 0.033 0.000 1.073 4051 T CA 0.216 62.337 62.100 0.036 0.000 0.999 4051 T CB 1.635 70.528 68.868 0.041 0.000 1.098 4051 T HN 1.554 nan 8.240 nan 0.000 0.477 4052 S N 2.036 117.755 115.700 0.033 0.000 2.726 4052 S HA 1.033 5.502 4.470 -0.001 0.000 0.308 4052 S C 0.273 174.907 174.600 0.057 0.000 1.115 4052 S CA 0.225 58.448 58.200 0.038 0.000 0.965 4052 S CB 1.699 64.908 63.200 0.015 0.000 1.145 4052 S HN 1.430 nan 8.310 nan 0.000 0.532 4053 G N 0.231 109.086 108.800 0.091 0.000 2.512 4053 G HA2 0.402 4.361 3.960 -0.001 0.000 0.181 4053 G HA3 0.402 4.361 3.960 -0.001 0.000 0.181 4053 G C -1.294 173.716 174.900 0.183 0.000 1.173 4053 G CA -0.191 44.981 45.100 0.119 0.000 0.988 4053 G HN 1.698 nan 8.290 nan 0.000 0.485 4054 I N -2.450 118.176 120.570 0.094 0.000 3.279 4054 I HA 0.786 4.955 4.170 -0.001 0.000 0.315 4054 I C -0.762 175.344 176.117 -0.018 0.000 1.225 4054 I CA -1.424 59.892 61.300 0.027 0.000 0.947 4054 I CB 1.933 39.897 38.000 -0.060 0.000 1.293 4054 I HN 0.379 nan 8.210 nan 0.000 0.468 4055 V N 3.000 122.882 119.914 -0.054 0.000 2.397 4055 V HA 0.094 4.213 4.120 -0.001 0.000 0.262 4055 V C 1.077 177.131 176.094 -0.067 0.000 1.047 4055 V CA 0.471 62.737 62.300 -0.056 0.000 1.003 4055 V CB 0.362 32.150 31.823 -0.059 0.000 1.037 4055 V HN 0.892 nan 8.190 nan 0.000 0.480 4056 S N 3.499 119.156 115.700 -0.072 0.000 2.406 4056 S HA 0.312 4.781 4.470 -0.001 0.000 0.224 4056 S C 0.699 175.253 174.600 -0.078 0.000 1.030 4056 S CA 0.837 58.992 58.200 -0.076 0.000 0.958 4056 S CB 0.262 63.411 63.200 -0.086 0.000 0.811 4056 S HN 0.958 nan 8.310 nan 0.000 0.489 4057 A N 0.596 123.361 122.820 -0.092 0.000 2.513 4057 A HA 0.638 4.958 4.320 -0.001 0.000 0.296 4057 A C -1.445 176.097 177.584 -0.069 0.000 1.052 4057 A CA -0.472 51.517 52.037 -0.079 0.000 0.714 4057 A CB 0.936 19.874 19.000 -0.102 0.000 1.279 4057 A HN 0.131 nan 8.150 nan 0.000 0.397 4058 L N 3.474 124.673 121.223 -0.041 0.000 2.956 4058 L HA 0.419 4.758 4.340 -0.001 0.000 0.232 4058 L C 1.602 178.470 176.870 -0.003 0.000 1.291 4058 L CA 1.164 55.990 54.840 -0.024 0.000 1.122 4058 L CB -0.682 41.363 42.059 -0.023 0.000 1.461 4058 L HN 1.352 nan 8.230 nan 0.000 0.470 4059 G N 1.570 110.376 108.800 0.011 0.000 2.999 4059 G HA2 -0.479 3.480 3.960 -0.001 0.000 0.335 4059 G HA3 -0.479 3.480 3.960 -0.001 0.000 0.335 4059 G C 0.977 175.895 174.900 0.030 0.000 1.346 4059 G CA 1.084 46.212 45.100 0.046 0.000 1.351 4059 G HN 0.595 nan 8.290 nan 0.000 0.902 4060 R N -0.099 120.415 120.500 0.023 0.000 3.418 4060 R HA -0.124 4.215 4.340 -0.001 0.000 0.274 4060 R C 0.626 176.936 176.300 0.018 0.000 1.108 4060 R CA 1.320 57.428 56.100 0.012 0.000 0.741 4060 R CB -1.985 28.317 30.300 0.004 0.000 1.223 4060 R HN 1.027 nan 8.270 nan 0.000 0.434 4061 E N -0.328 119.912 120.200 0.066 0.000 2.481 4061 E HA -0.139 4.210 4.350 -0.001 0.000 0.263 4061 E C 0.132 176.740 176.600 0.014 0.000 0.992 4061 E CA 0.059 56.455 56.400 -0.007 0.000 0.938 4061 E CB 0.317 29.954 29.700 -0.106 0.000 0.933 4061 E HN 0.280 nan 8.360 nan 0.000 0.453 4062 N N 2.773 121.453 118.700 -0.033 0.000 3.063 4062 N HA -0.058 4.681 4.740 -0.001 0.000 0.327 4062 N C -1.099 174.413 175.510 0.003 0.000 1.225 4062 N CA -0.023 53.023 53.050 -0.005 0.000 1.184 4062 N CB -1.237 37.234 38.487 -0.026 0.000 1.438 4062 N HN 0.350 nan 8.380 nan 0.000 0.555 4063 F N 0.721 120.690 119.950 0.032 0.000 2.572 4063 F HA 0.099 4.625 4.527 -0.001 0.000 0.370 4063 F C 1.231 177.014 175.800 -0.028 0.000 1.103 4063 F CA -0.074 57.956 58.000 0.049 0.000 1.286 4063 F CB 0.497 39.589 39.000 0.152 0.000 1.105 4063 F HN 0.102 nan 8.300 nan 0.000 0.583 4064 I N 3.653 124.324 120.570 0.167 0.000 2.440 4064 I HA 0.186 4.355 4.170 -0.001 0.000 0.294 4064 I C -0.251 175.805 176.117 -0.101 0.000 0.995 4064 I CA -0.519 60.794 61.300 0.022 0.000 1.306 4064 I CB 1.434 39.444 38.000 0.016 0.000 1.407 4064 I HN 0.513 nan 8.210 nan 0.000 0.501 4065 Q N 3.443 123.122 119.800 -0.202 0.000 2.316 4065 Q HA 0.491 4.830 4.340 -0.001 0.000 0.264 4065 Q C -0.858 175.024 176.000 -0.196 0.000 0.987 4065 Q CA -0.350 55.229 55.803 -0.374 0.000 0.852 4065 Q CB 2.280 30.764 28.738 -0.425 0.000 1.287 4065 Q HN 0.658 nan 8.270 nan 0.000 0.448 4066 T N 0.515 114.971 114.554 -0.163 0.000 2.894 4066 T HA 0.178 4.528 4.350 -0.001 0.000 0.309 4066 T C -0.628 174.048 174.700 -0.039 0.000 1.208 4066 T CA -0.681 61.377 62.100 -0.071 0.000 1.016 4066 T CB 0.945 69.797 68.868 -0.028 0.000 1.192 4066 T HN 0.709 nan 8.240 nan 0.000 0.491 4067 D N 1.808 122.201 120.400 -0.013 0.000 2.328 4067 D HA 0.229 4.868 4.640 -0.001 0.000 0.226 4067 D C 0.797 177.113 176.300 0.027 0.000 1.066 4067 D CA -0.163 53.842 54.000 0.008 0.000 0.861 4067 D CB -0.102 40.705 40.800 0.012 0.000 0.912 4067 D HN 0.514 nan 8.370 nan 0.000 0.521 4068 A N 0.148 122.985 122.820 0.029 0.000 3.004 4068 A HA 0.653 4.972 4.320 -0.001 0.000 0.286 4068 A C 0.533 178.139 177.584 0.038 0.000 1.632 4068 A CA -0.114 51.946 52.037 0.038 0.000 1.339 4068 A CB -0.518 18.508 19.000 0.043 0.000 1.136 4068 A HN 0.354 nan 8.150 nan 0.000 0.577 4069 A N 1.404 124.247 122.820 0.040 0.000 3.934 4069 A HA 0.946 5.265 4.320 -0.001 0.000 0.163 4069 A C -0.774 176.831 177.584 0.036 0.000 1.103 4069 A CA -0.313 51.749 52.037 0.041 0.000 1.170 4069 A CB 0.421 19.451 19.000 0.051 0.000 1.564 4069 A HN 1.053 nan 8.150 nan 0.000 0.705 4070 I N -1.236 119.355 120.570 0.035 0.000 2.731 4070 I HA 0.250 4.419 4.170 -0.001 0.000 0.286 4070 I C -0.964 175.192 176.117 0.065 0.000 1.421 4070 I CA -0.855 60.473 61.300 0.047 0.000 1.071 4070 I CB 0.970 38.966 38.000 -0.007 0.000 1.375 4070 I HN 0.415 nan 8.210 nan 0.000 0.425 4071 N N 5.800 124.564 118.700 0.107 0.000 2.429 4071 N HA 0.191 4.930 4.740 -0.001 0.000 0.271 4071 N C 0.665 176.272 175.510 0.161 0.000 1.272 4071 N CA 0.626 53.742 53.050 0.110 0.000 0.921 4071 N CB 0.205 38.751 38.487 0.099 0.000 1.128 4071 N HN 0.671 nan 8.380 nan 0.000 0.481 4072 R N 0.100 120.666 120.500 0.109 0.000 3.840 4072 R HA -0.136 4.203 4.340 -0.001 0.000 0.464 4072 R C 0.590 176.956 176.300 0.109 0.000 0.986 4072 R CA 1.111 57.286 56.100 0.125 0.000 1.305 4072 R CB -2.080 28.324 30.300 0.174 0.000 1.950 4072 R HN 0.604 nan 8.270 nan 0.000 0.526 4073 G N 0.388 109.176 108.800 -0.021 0.000 2.502 4073 G HA2 0.434 4.393 3.960 -0.001 0.000 0.305 4073 G HA3 0.434 4.393 3.960 -0.001 0.000 0.305 4073 G C -0.203 174.579 174.900 -0.197 0.000 1.190 4073 G CA -0.592 44.317 45.100 -0.318 0.000 0.933 4073 G HN 0.034 nan 8.290 nan 0.000 0.503 4074 N N 0.307 118.872 118.700 -0.224 0.000 2.497 4074 N HA 0.336 5.075 4.740 -0.001 0.000 0.271 4074 N C 0.756 176.234 175.510 -0.052 0.000 1.142 4074 N CA 0.194 53.186 53.050 -0.096 0.000 0.965 4074 N CB 1.197 39.662 38.487 -0.037 0.000 1.077 4074 N HN 0.732 nan 8.380 nan 0.000 0.462 4075 S N 1.070 116.764 115.700 -0.009 0.000 2.973 4075 S HA 0.166 4.635 4.470 -0.001 0.000 0.357 4075 S C 1.412 176.072 174.600 0.100 0.000 1.159 4075 S CA 0.128 58.355 58.200 0.046 0.000 1.423 4075 S CB -0.669 62.558 63.200 0.045 0.000 1.115 4075 S HN 0.598 nan 8.310 nan 0.000 0.563 4076 G N 2.406 111.232 108.800 0.044 0.000 2.355 4076 G HA2 0.428 4.388 3.960 -0.001 0.000 0.175 4076 G HA3 0.428 4.388 3.960 -0.001 0.000 0.175 4076 G C 1.050 175.983 174.900 0.055 0.000 1.624 4076 G CA 0.824 45.944 45.100 0.035 0.000 1.021 4076 G HN 1.179 nan 8.290 nan 0.000 0.465 4077 G N -0.913 107.911 108.800 0.041 0.000 2.509 4077 G HA2 0.508 4.468 3.960 -0.001 0.000 0.168 4077 G HA3 0.508 4.468 3.960 -0.001 0.000 0.168 4077 G C 0.392 175.317 174.900 0.042 0.000 1.415 4077 G CA 0.832 45.957 45.100 0.041 0.000 0.686 4077 G HN 1.120 nan 8.290 nan 0.000 0.677 4078 A N 0.485 123.325 122.820 0.032 0.000 2.363 4078 A HA 0.681 5.000 4.320 -0.001 0.000 0.270 4078 A C -0.621 176.983 177.584 0.034 0.000 1.121 4078 A CA -0.110 51.946 52.037 0.031 0.000 0.800 4078 A CB 0.500 19.514 19.000 0.024 0.000 1.052 4078 A HN 0.452 nan 8.150 nan 0.000 0.493 4079 L N 4.048 125.292 121.223 0.035 0.000 2.349 4079 L HA 0.593 4.932 4.340 -0.001 0.000 0.278 4079 L C -1.235 175.653 176.870 0.030 0.000 0.996 4079 L CA -0.445 54.416 54.840 0.036 0.000 0.825 4079 L CB 1.525 43.608 42.059 0.040 0.000 1.243 4079 L HN 0.516 nan 8.230 nan 0.000 0.412 4080 V N 4.248 124.181 119.914 0.031 0.000 2.823 4080 V HA 0.393 4.513 4.120 -0.001 0.000 0.312 4080 V C -0.256 175.859 176.094 0.036 0.000 1.072 4080 V CA -0.798 61.520 62.300 0.029 0.000 0.937 4080 V CB 2.545 34.383 31.823 0.025 0.000 1.013 4080 V HN 0.945 nan 8.190 nan 0.000 0.430 4081 N N 3.372 122.093 118.700 0.035 0.000 2.418 4081 N HA 0.218 4.957 4.740 -0.001 0.000 0.283 4081 N C 0.462 176.000 175.510 0.048 0.000 1.267 4081 N CA -0.557 52.521 53.050 0.047 0.000 0.975 4081 N CB 0.293 38.804 38.487 0.040 0.000 1.167 4081 N HN 0.319 nan 8.380 nan 0.000 0.581 4082 L N -0.720 120.541 121.223 0.063 0.000 2.549 4082 L HA 0.067 4.406 4.340 -0.001 0.000 0.229 4082 L C 0.867 177.755 176.870 0.030 0.000 1.158 4082 L CA 1.099 55.968 54.840 0.048 0.000 0.842 4082 L CB -1.381 40.719 42.059 0.069 0.000 0.952 4082 L HN 0.559 nan 8.230 nan 0.000 0.452 4083 N N -0.590 118.127 118.700 0.029 0.000 2.236 4083 N HA 0.148 4.887 4.740 -0.001 0.000 0.196 4083 N C 1.324 176.843 175.510 0.016 0.000 1.114 4083 N CA 0.792 53.854 53.050 0.020 0.000 0.859 4083 N CB 0.595 39.094 38.487 0.019 0.000 0.982 4083 N HN 0.252 nan 8.380 nan 0.000 0.493 4084 G N 0.712 109.523 108.800 0.018 0.000 2.143 4084 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.249 4084 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.249 4084 G C -0.246 174.663 174.900 0.015 0.000 0.981 4084 G CA -0.011 45.099 45.100 0.015 0.000 0.665 4084 G HN 0.421 nan 8.290 nan 0.000 0.528 4085 E N -0.539 119.671 120.200 0.016 0.000 2.231 4085 E HA 0.552 4.901 4.350 -0.001 0.000 0.277 4085 E C 0.051 176.660 176.600 0.014 0.000 0.999 4085 E CA -1.081 55.327 56.400 0.013 0.000 0.827 4085 E CB 1.902 31.609 29.700 0.012 0.000 1.101 4085 E HN 0.184 nan 8.360 nan 0.000 0.393 4086 L N 4.308 125.539 121.223 0.012 0.000 2.418 4086 L HA 0.070 4.409 4.340 -0.001 0.000 0.274 4086 L C 0.478 177.355 176.870 0.011 0.000 1.135 4086 L CA 0.662 55.510 54.840 0.013 0.000 0.870 4086 L CB 0.192 42.257 42.059 0.010 0.000 1.154 4086 L HN 0.672 nan 8.230 nan 0.000 0.462 4087 I N 1.452 122.031 120.570 0.014 0.000 4.187 4087 I HA 0.614 4.783 4.170 -0.001 0.000 0.326 4087 I C 0.609 176.733 176.117 0.012 0.000 1.302 4087 I CA 0.228 61.534 61.300 0.011 0.000 1.196 4087 I CB 0.361 38.369 38.000 0.013 0.000 1.095 4087 I HN 0.624 nan 8.210 nan 0.000 0.411 4088 G N 1.457 110.268 108.800 0.019 0.000 2.519 4088 G HA2 0.533 4.492 3.960 -0.001 0.000 0.292 4088 G HA3 0.533 4.492 3.960 -0.001 0.000 0.292 4088 G C -2.143 172.779 174.900 0.037 0.000 1.507 4088 G CA -0.467 44.649 45.100 0.026 0.000 0.806 4088 G HN -0.023 nan 8.290 nan 0.000 0.523 4089 I N 1.039 121.637 120.570 0.047 0.000 2.362 4089 I HA 0.304 4.473 4.170 -0.001 0.000 0.289 4089 I C 0.139 176.314 176.117 0.096 0.000 0.994 4089 I CA -1.034 60.300 61.300 0.057 0.000 1.158 4089 I CB 1.394 39.420 38.000 0.044 0.000 1.315 4089 I HN 0.448 nan 8.210 nan 0.000 0.451 4090 N N 3.342 122.101 118.700 0.099 0.000 2.492 4090 N HA 0.315 5.054 4.740 -0.001 0.000 0.262 4090 N C -0.010 175.600 175.510 0.166 0.000 1.202 4090 N CA 0.226 53.356 53.050 0.134 0.000 0.926 4090 N CB 0.656 39.205 38.487 0.103 0.000 1.078 4090 N HN 0.628 nan 8.380 nan 0.000 0.454 4091 T N -0.154 114.526 114.554 0.210 0.000 2.858 4091 T HA 0.763 5.113 4.350 -0.001 0.000 0.285 4091 T C -1.547 173.223 174.700 0.116 0.000 1.052 4091 T CA -0.799 61.432 62.100 0.217 0.000 1.009 4091 T CB 0.969 70.008 68.868 0.286 0.000 1.241 4091 T HN 0.426 nan 8.240 nan 0.000 0.542 4092 A N 2.147 124.980 122.820 0.023 0.000 2.285 4092 A HA 0.593 4.912 4.320 -0.001 0.000 0.310 4092 A C 0.653 178.122 177.584 -0.191 0.000 1.266 4092 A CA -0.786 51.150 52.037 -0.169 0.000 0.832 4092 A CB -0.244 18.483 19.000 -0.455 0.000 1.163 4092 A HN 0.891 nan 8.150 nan 0.000 0.499 4093 I N 0.324 120.720 120.570 -0.290 0.000 3.862 4093 I HA 0.382 4.551 4.170 -0.001 0.000 0.328 4093 I C -0.681 175.265 176.117 -0.284 0.000 1.474 4093 I CA 0.319 61.405 61.300 -0.357 0.000 1.215 4093 I CB -0.282 37.308 38.000 -0.683 0.000 1.183 4093 I HN 0.418 nan 8.210 nan 0.000 0.413 4094 L N 2.375 123.465 121.223 -0.223 0.000 2.861 4094 L HA 0.526 4.865 4.340 -0.001 0.000 0.290 4094 L C 0.743 177.524 176.870 -0.148 0.000 1.346 4094 L CA -0.474 54.262 54.840 -0.175 0.000 0.779 4094 L CB 0.882 42.843 42.059 -0.164 0.000 1.143 4094 L HN 0.408 nan 8.230 nan 0.000 0.548 4095 A N 0.849 123.592 122.820 -0.128 0.000 2.561 4095 A HA 0.377 4.697 4.320 -0.001 0.000 0.234 4095 A C -1.640 175.899 177.584 -0.075 0.000 1.055 4095 A CA -0.023 51.955 52.037 -0.097 0.000 0.756 4095 A CB -0.465 18.498 19.000 -0.061 0.000 0.986 4095 A HN 0.574 nan 8.150 nan 0.000 0.505 4096 P HA -0.102 nan 4.420 nan 0.000 0.014 4096 P C -0.238 177.020 177.300 -0.070 0.000 0.569 4096 P CA 1.443 64.508 63.100 -0.060 0.000 1.035 4096 P CB -0.409 31.263 31.700 -0.047 0.000 1.909 4097 D N -1.023 119.319 120.400 -0.098 0.000 3.084 4097 D HA 0.275 4.915 4.640 -0.001 0.000 0.294 4097 D C 0.861 177.079 176.300 -0.137 0.000 1.165 4097 D CA 1.636 55.577 54.000 -0.097 0.000 1.008 4097 D CB 0.757 41.505 40.800 -0.087 0.000 1.266 4097 D HN 0.298 nan 8.370 nan 0.000 0.449 4098 G N -0.012 108.641 108.800 -0.246 0.000 2.767 4098 G HA2 0.377 4.336 3.960 -0.001 0.000 0.686 4098 G HA3 0.377 4.336 3.960 -0.001 0.000 0.686 4098 G C 0.240 175.041 174.900 -0.164 0.000 1.213 4098 G CA -0.314 44.593 45.100 -0.321 0.000 0.803 4098 G HN 0.949 nan 8.290 nan 0.000 0.603 4099 G N 1.398 110.113 108.800 -0.140 0.000 2.592 4099 G HA2 0.457 4.416 3.960 -0.001 0.000 0.685 4099 G HA3 0.457 4.416 3.960 -0.001 0.000 0.685 4099 G C -0.415 174.430 174.900 -0.090 0.000 1.278 4099 G CA 0.260 45.307 45.100 -0.087 0.000 0.822 4099 G HN 2.110 nan 8.290 nan 0.000 0.652 4100 N N 0.615 119.282 118.700 -0.054 0.000 2.485 4100 N HA 0.482 5.221 4.740 -0.001 0.000 0.280 4100 N C 1.324 176.809 175.510 -0.042 0.000 1.205 4100 N CA -0.581 52.442 53.050 -0.046 0.000 0.959 4100 N CB 2.387 40.882 38.487 0.012 0.000 1.206 4100 N HN 0.738 nan 8.380 nan 0.000 0.545 4101 I N -1.842 118.700 120.570 -0.048 0.000 3.226 4101 I HA 0.116 4.285 4.170 -0.001 0.000 0.277 4101 I C 0.795 176.927 176.117 0.024 0.000 1.243 4101 I CA 0.991 62.270 61.300 -0.036 0.000 1.459 4101 I CB -0.207 37.741 38.000 -0.085 0.000 1.093 4101 I HN 0.890 nan 8.210 nan 0.000 0.453 4102 G N 1.318 110.151 108.800 0.056 0.000 3.110 4102 G HA2 -0.024 3.935 3.960 -0.001 0.000 0.205 4102 G HA3 -0.024 3.935 3.960 -0.001 0.000 0.205 4102 G C -0.029 174.918 174.900 0.077 0.000 1.019 4102 G CA 0.053 45.189 45.100 0.059 0.000 0.826 4102 G HN 0.305 nan 8.290 nan 0.000 0.481 4103 I N 0.646 121.293 120.570 0.128 0.000 3.264 4103 I HA 0.722 4.891 4.170 -0.001 0.000 0.315 4103 I C -0.006 176.223 176.117 0.187 0.000 1.154 4103 I CA -0.880 60.486 61.300 0.109 0.000 0.962 4103 I CB 2.131 40.163 38.000 0.054 0.000 1.265 4103 I HN 0.162 nan 8.210 nan 0.000 0.463 4104 G N 2.266 111.118 108.800 0.087 0.000 2.356 4104 G HA2 0.591 4.550 3.960 -0.001 0.000 0.322 4104 G HA3 0.591 4.550 3.960 -0.001 0.000 0.322 4104 G C -1.637 173.282 174.900 0.032 0.000 1.125 4104 G CA -0.202 44.983 45.100 0.142 0.000 0.885 4104 G HN 0.256 nan 8.290 nan 0.000 0.467 4105 F N 1.278 121.227 119.950 -0.002 0.000 2.402 4105 F HA 0.657 5.183 4.527 -0.001 0.000 0.355 4105 F C 0.562 176.460 175.800 0.164 0.000 1.123 4105 F CA -0.903 57.114 58.000 0.030 0.000 1.021 4105 F CB 2.128 41.028 39.000 -0.166 0.000 1.160 4105 F HN 0.623 nan 8.300 nan 0.000 0.451 4106 A N 4.159 127.168 122.820 0.315 0.000 2.374 4106 A HA 0.808 5.127 4.320 -0.001 0.000 0.317 4106 A C -0.686 177.049 177.584 0.251 0.000 1.094 4106 A CA -0.731 51.466 52.037 0.266 0.000 0.765 4106 A CB 0.993 20.073 19.000 0.132 0.000 1.268 4106 A HN 0.543 nan 8.150 nan 0.000 0.438 4107 I N 2.760 123.413 120.570 0.138 0.000 2.529 4107 I HA 0.239 4.408 4.170 -0.001 0.000 0.284 4107 I C -2.008 174.096 176.117 -0.022 0.000 1.082 4107 I CA -1.839 59.436 61.300 -0.041 0.000 1.406 4107 I CB 0.676 38.638 38.000 -0.062 0.000 1.405 4107 I HN 0.406 nan 8.210 nan 0.000 0.548 4108 P HA 0.067 nan 4.420 nan 0.000 0.271 4108 P C 0.817 178.100 177.300 -0.028 0.000 1.218 4108 P CA -0.181 62.900 63.100 -0.031 0.000 0.780 4108 P CB 0.691 32.367 31.700 -0.040 0.000 0.901 4109 S N 2.438 118.129 115.700 -0.014 0.000 2.380 4109 S HA -0.287 4.183 4.470 -0.001 0.000 0.229 4109 S C 1.487 176.075 174.600 -0.020 0.000 1.043 4109 S CA 1.814 60.007 58.200 -0.012 0.000 1.038 4109 S CB -1.536 61.661 63.200 -0.005 0.000 0.872 4109 S HN 0.512 nan 8.310 nan 0.000 0.456 4110 N N 0.646 119.332 118.700 -0.023 0.000 2.166 4110 N HA -0.073 4.666 4.740 -0.001 0.000 0.186 4110 N C 1.795 177.285 175.510 -0.033 0.000 1.019 4110 N CA 1.517 54.552 53.050 -0.025 0.000 0.856 4110 N CB -0.247 38.226 38.487 -0.023 0.000 0.993 4110 N HN 0.400 nan 8.380 nan 0.000 0.426 4111 M N 0.910 120.483 119.600 -0.045 0.000 2.200 4111 M HA -0.028 4.451 4.480 -0.001 0.000 0.265 4111 M C 1.669 177.939 176.300 -0.050 0.000 1.066 4111 M CA 1.187 56.453 55.300 -0.057 0.000 1.127 4111 M CB -0.087 32.459 32.600 -0.089 0.000 1.379 4111 M HN -0.125 nan 8.290 nan 0.000 0.420 4112 V N 0.549 120.438 119.914 -0.043 0.000 2.343 4112 V HA -0.296 3.823 4.120 -0.001 0.000 0.247 4112 V C 2.439 178.512 176.094 -0.036 0.000 1.051 4112 V CA 2.234 64.513 62.300 -0.035 0.000 1.036 4112 V CB -1.212 30.597 31.823 -0.023 0.000 0.654 4112 V HN 0.578 nan 8.190 nan 0.000 0.451 4113 K N 0.777 121.158 120.400 -0.032 0.000 2.032 4113 K HA -0.292 4.027 4.320 -0.001 0.000 0.209 4113 K C 2.077 178.655 176.600 -0.037 0.000 1.048 4113 K CA 2.333 58.601 56.287 -0.032 0.000 0.927 4113 K CB -0.315 32.171 32.500 -0.024 0.000 0.712 4113 K HN 0.515 nan 8.250 nan 0.000 0.441 4114 N N 0.300 118.981 118.700 -0.032 0.000 2.084 4114 N HA -0.149 4.590 4.740 -0.001 0.000 0.190 4114 N C 1.883 177.379 175.510 -0.023 0.000 1.030 4114 N CA 1.397 54.432 53.050 -0.025 0.000 0.849 4114 N CB -0.087 38.387 38.487 -0.021 0.000 1.012 4114 N HN 0.172 nan 8.380 nan 0.000 0.423 4115 L N -0.808 120.397 121.223 -0.030 0.000 2.093 4115 L HA -0.095 4.244 4.340 -0.001 0.000 0.208 4115 L C 2.430 179.277 176.870 -0.039 0.000 1.085 4115 L CA 1.096 55.920 54.840 -0.026 0.000 0.755 4115 L CB -0.692 41.347 42.059 -0.033 0.000 0.904 4115 L HN 0.277 nan 8.230 nan 0.000 0.435 4116 T N -1.173 113.346 114.554 -0.059 0.000 2.777 4116 T HA -0.143 4.206 4.350 -0.001 0.000 0.266 4116 T C 2.114 176.735 174.700 -0.131 0.000 1.040 4116 T CA 1.692 63.734 62.100 -0.096 0.000 1.141 4116 T CB 0.019 68.831 68.868 -0.093 0.000 0.868 4116 T HN 0.302 nan 8.240 nan 0.000 0.444 4117 S N 1.222 116.858 115.700 -0.107 0.000 2.382 4117 S HA -0.120 4.349 4.470 -0.001 0.000 0.228 4117 S C 2.111 176.624 174.600 -0.145 0.000 1.027 4117 S CA 1.032 59.153 58.200 -0.131 0.000 0.991 4117 S CB -0.318 62.825 63.200 -0.095 0.000 0.823 4117 S HN 0.572 nan 8.310 nan 0.000 0.469 4118 Q N 0.670 120.434 119.800 -0.059 0.000 2.061 4118 Q HA -0.086 4.253 4.340 -0.001 0.000 0.204 4118 Q C 2.301 178.304 176.000 0.005 0.000 0.984 4118 Q CA 1.442 57.267 55.803 0.038 0.000 0.846 4118 Q CB -0.358 28.471 28.738 0.152 0.000 0.902 4118 Q HN 0.593 nan 8.270 nan 0.000 0.421 4119 M N -0.269 119.308 119.600 -0.038 0.000 2.108 4119 M HA -0.181 4.298 4.480 -0.001 0.000 0.261 4119 M C 2.250 178.488 176.300 -0.103 0.000 1.066 4119 M CA 1.176 56.445 55.300 -0.051 0.000 1.107 4119 M CB -0.602 31.950 32.600 -0.081 0.000 1.356 4119 M HN 0.060 nan 8.290 nan 0.000 0.406 4120 V N 1.138 120.938 119.914 -0.189 0.000 2.216 4120 V HA -0.249 3.870 4.120 -0.001 0.000 0.243 4120 V C 1.755 177.745 176.094 -0.173 0.000 1.044 4120 V CA 2.118 64.290 62.300 -0.213 0.000 0.995 4120 V CB -0.722 30.936 31.823 -0.274 0.000 0.633 4120 V HN 0.508 nan 8.190 nan 0.000 0.446 4121 E N -1.867 118.159 120.200 -0.289 0.000 2.485 4121 E HA -0.030 4.319 4.350 -0.001 0.000 0.194 4121 E C 0.704 176.945 176.600 -0.598 0.000 1.098 4121 E CA 0.626 56.757 56.400 -0.448 0.000 0.878 4121 E CB -0.017 29.309 29.700 -0.622 0.000 0.939 4121 E HN 0.833 nan 8.360 nan 0.000 0.503 4122 Y N -2.521 117.765 120.300 -0.024 0.000 2.463 4122 Y HA 0.229 4.778 4.550 -0.001 0.000 0.288 4122 Y C 1.651 177.540 175.900 -0.018 0.000 1.041 4122 Y CA -0.289 57.800 58.100 -0.019 0.000 1.054 4122 Y CB 1.457 39.904 38.460 -0.022 0.000 1.380 4122 Y HN 0.130 nan 8.280 nan 0.000 0.581 4123 G N 1.002 109.865 108.800 0.106 0.000 2.284 4123 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.216 4123 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.216 4123 G C 0.029 174.959 174.900 0.049 0.000 1.009 4123 G CA 0.241 45.376 45.100 0.059 0.000 0.625 4123 G HN 0.421 nan 8.290 nan 0.000 0.501 4124 Q N -0.863 118.987 119.800 0.084 0.000 2.738 4124 Q HA 0.621 4.961 4.340 -0.001 0.000 0.301 4124 Q C -0.542 175.506 176.000 0.081 0.000 0.901 4124 Q CA -0.558 55.277 55.803 0.053 0.000 0.756 4124 Q CB 1.777 30.530 28.738 0.026 0.000 1.463 4124 Q HN 1.181 nan 8.270 nan 0.000 0.432 4125 V N -0.544 119.394 119.914 0.041 0.000 2.498 4125 V HA 0.464 4.583 4.120 -0.001 0.000 0.279 4125 V C -0.178 175.914 176.094 -0.003 0.000 1.048 4125 V CA -0.793 61.530 62.300 0.038 0.000 0.967 4125 V CB 0.825 32.657 31.823 0.015 0.000 0.988 4125 V HN 0.674 nan 8.190 nan 0.000 0.473 4126 K N 4.825 125.208 120.400 -0.027 0.000 2.081 4126 K HA 0.189 4.508 4.320 -0.001 0.000 0.230 4126 K C 0.376 176.941 176.600 -0.057 0.000 1.199 4126 K CA 0.338 56.573 56.287 -0.086 0.000 1.130 4126 K CB -0.447 31.958 32.500 -0.158 0.000 1.386 4126 K HN 0.915 nan 8.250 nan 0.000 0.280 4127 R N 0.297 120.770 120.500 -0.044 0.000 2.409 4127 R HA 0.551 4.890 4.340 -0.001 0.000 0.313 4127 R C -0.043 176.234 176.300 -0.039 0.000 0.953 4127 R CA -0.897 55.181 56.100 -0.038 0.000 0.849 4127 R CB 1.245 31.528 30.300 -0.029 0.000 1.171 4127 R HN 0.300 nan 8.270 nan 0.000 0.458 4128 G N 2.603 111.379 108.800 -0.041 0.000 2.415 4128 G HA2 0.260 4.219 3.960 -0.001 0.000 0.269 4128 G HA3 0.260 4.219 3.960 -0.001 0.000 0.269 4128 G C -0.572 174.307 174.900 -0.034 0.000 1.209 4128 G CA -0.664 44.413 45.100 -0.038 0.000 0.835 4128 G HN 0.791 nan 8.290 nan 0.000 0.534 4129 E N 1.222 121.405 120.200 -0.028 0.000 2.207 4129 E HA 0.373 4.722 4.350 -0.001 0.000 0.270 4129 E C -0.077 176.511 176.600 -0.021 0.000 0.927 4129 E CA -0.998 55.387 56.400 -0.024 0.000 0.799 4129 E CB 1.846 31.538 29.700 -0.014 0.000 1.172 4129 E HN 0.259 nan 8.360 nan 0.000 0.404 4130 L N 2.607 123.818 121.223 -0.021 0.000 2.591 4130 L HA 0.256 4.596 4.340 -0.001 0.000 0.228 4130 L C 1.367 178.238 176.870 0.000 0.000 1.133 4130 L CA 1.508 56.340 54.840 -0.014 0.000 0.880 4130 L CB -0.525 41.522 42.059 -0.019 0.000 1.033 4130 L HN 1.065 nan 8.230 nan 0.000 0.450 4131 G N 0.401 109.204 108.800 0.005 0.000 2.212 4131 G HA2 -0.348 3.611 3.960 -0.001 0.000 0.267 4131 G HA3 -0.348 3.611 3.960 -0.001 0.000 0.267 4131 G C 0.461 175.375 174.900 0.024 0.000 1.002 4131 G CA 0.926 46.034 45.100 0.012 0.000 0.729 4131 G HN 0.604 nan 8.290 nan 0.000 0.517 4132 I N -2.450 118.148 120.570 0.048 0.000 2.934 4132 I HA 0.887 5.056 4.170 -0.001 0.000 0.315 4132 I C 0.293 176.477 176.117 0.111 0.000 0.997 4132 I CA -1.427 59.910 61.300 0.062 0.000 1.184 4132 I CB 1.119 39.175 38.000 0.094 0.000 1.400 4132 I HN 0.025 nan 8.210 nan 0.000 0.549 4133 M N 2.622 122.259 119.600 0.062 0.000 2.433 4133 M HA 0.735 5.214 4.480 -0.001 0.000 0.290 4133 M C -0.280 175.925 176.300 -0.159 0.000 1.173 4133 M CA -0.396 54.924 55.300 0.033 0.000 0.905 4133 M CB 2.083 34.672 32.600 -0.019 0.000 1.692 4133 M HN 1.105 nan 8.290 nan 0.000 0.462 4134 G N 1.026 109.538 108.800 -0.479 0.000 2.335 4134 G HA2 0.649 4.608 3.960 -0.001 0.000 0.291 4134 G HA3 0.649 4.608 3.960 -0.001 0.000 0.291 4134 G C -1.081 173.093 174.900 -1.210 0.000 1.261 4134 G CA 0.211 44.910 45.100 -0.668 0.000 0.871 4134 G HN 0.827 nan 8.290 nan 0.000 0.491 4135 T N -3.083 111.010 114.554 -0.768 0.000 2.611 4135 T HA 0.681 5.030 4.350 -0.001 0.000 0.269 4135 T C -0.808 173.844 174.700 -0.081 0.000 1.032 4135 T CA -0.541 61.223 62.100 -0.560 0.000 1.178 4135 T CB 1.361 70.066 68.868 -0.271 0.000 1.651 4135 T HN 0.533 nan 8.240 nan 0.000 0.456 4136 E N 0.346 120.562 120.200 0.026 0.000 2.405 4136 E HA 0.407 4.756 4.350 -0.001 0.000 0.253 4136 E C 0.605 177.259 176.600 0.090 0.000 1.257 4136 E CA -0.516 55.939 56.400 0.091 0.000 0.960 4136 E CB 0.346 30.084 29.700 0.063 0.000 1.077 4136 E HN 0.552 nan 8.360 nan 0.000 0.512 4137 L N 1.574 122.816 121.223 0.030 0.000 2.653 4137 L HA 0.104 4.443 4.340 -0.001 0.000 0.232 4137 L C 1.141 177.967 176.870 -0.073 0.000 1.169 4137 L CA 0.039 54.839 54.840 -0.067 0.000 0.951 4137 L CB -0.176 41.838 42.059 -0.075 0.000 1.181 4137 L HN 0.184 nan 8.230 nan 0.000 0.460 4138 N N -0.817 117.867 118.700 -0.027 0.000 2.407 4138 N HA 0.013 4.752 4.740 -0.001 0.000 0.182 4138 N C 0.855 176.353 175.510 -0.019 0.000 1.079 4138 N CA 0.269 53.303 53.050 -0.027 0.000 0.882 4138 N CB 0.309 38.789 38.487 -0.011 0.000 1.106 4138 N HN 0.256 nan 8.380 nan 0.000 0.461 4139 S N 1.433 117.137 115.700 0.007 0.000 2.542 4139 S HA -0.074 4.395 4.470 -0.001 0.000 0.287 4139 S C 1.156 175.766 174.600 0.016 0.000 1.315 4139 S CA 0.053 58.268 58.200 0.025 0.000 1.037 4139 S CB 0.646 63.893 63.200 0.078 0.000 0.822 4139 S HN 0.222 nan 8.310 nan 0.000 0.513 4140 E N 1.008 121.217 120.200 0.015 0.000 2.209 4140 E HA -0.138 4.212 4.350 -0.001 0.000 0.196 4140 E C 1.625 178.241 176.600 0.028 0.000 0.993 4140 E CA 1.250 57.655 56.400 0.008 0.000 0.819 4140 E CB -0.428 29.273 29.700 0.002 0.000 0.745 4140 E HN 0.638 nan 8.360 nan 0.000 0.477 4141 L N 0.145 121.419 121.223 0.084 0.000 2.313 4141 L HA 0.003 4.342 4.340 -0.001 0.000 0.214 4141 L C 2.373 179.347 176.870 0.173 0.000 1.119 4141 L CA 0.423 55.362 54.840 0.166 0.000 0.809 4141 L CB -0.219 41.983 42.059 0.238 0.000 0.933 4141 L HN 0.132 nan 8.230 nan 0.000 0.449 4142 A N -0.073 122.742 122.820 -0.007 0.000 2.067 4142 A HA -0.086 4.234 4.320 -0.001 0.000 0.217 4142 A C 2.260 179.694 177.584 -0.250 0.000 1.156 4142 A CA 0.916 52.684 52.037 -0.449 0.000 0.683 4142 A CB -0.008 18.703 19.000 -0.482 0.000 0.808 4142 A HN 0.278 nan 8.150 nan 0.000 0.455 4143 K N -0.559 119.773 120.400 -0.113 0.000 2.121 4143 K HA 0.215 4.535 4.320 -0.001 0.000 0.203 4143 K C 2.113 178.683 176.600 -0.049 0.000 1.041 4143 K CA 0.753 56.992 56.287 -0.079 0.000 0.969 4143 K CB -0.188 32.281 32.500 -0.052 0.000 0.799 4143 K HN 0.298 nan 8.250 nan 0.000 0.456 4144 A N 0.950 123.757 122.820 -0.021 0.000 2.234 4144 A HA -0.083 4.236 4.320 -0.001 0.000 0.216 4144 A C 1.693 179.278 177.584 0.003 0.000 1.167 4144 A CA 1.341 53.376 52.037 -0.004 0.000 0.698 4144 A CB -0.421 18.585 19.000 0.011 0.000 0.779 4144 A HN 0.240 nan 8.150 nan 0.000 0.475 4145 M N -1.054 118.543 119.600 -0.006 0.000 2.300 4145 M HA 0.135 4.614 4.480 -0.001 0.000 0.313 4145 M C -0.757 175.519 176.300 -0.040 0.000 0.988 4145 M CA -0.191 55.113 55.300 0.006 0.000 1.012 4145 M CB 0.532 33.180 32.600 0.080 0.000 1.586 4145 M HN 0.193 nan 8.290 nan 0.000 0.562 4146 K N 2.118 122.475 120.400 -0.072 0.000 5.530 4146 K HA -0.120 4.199 4.320 -0.001 0.000 0.493 4146 K C -0.506 176.028 176.600 -0.111 0.000 1.192 4146 K CA 0.230 56.466 56.287 -0.086 0.000 1.270 4146 K CB -1.603 30.867 32.500 -0.051 0.000 1.888 4146 K HN 0.330 nan 8.250 nan 0.000 0.326 4147 V N -0.351 119.457 119.914 -0.178 0.000 2.407 4147 V HA 0.301 4.420 4.120 -0.001 0.000 0.278 4147 V C 0.468 176.490 176.094 -0.121 0.000 1.037 4147 V CA -0.946 61.240 62.300 -0.191 0.000 0.900 4147 V CB 1.561 33.160 31.823 -0.373 0.000 0.983 4147 V HN 0.411 nan 8.190 nan 0.000 0.459 4148 D N 3.698 124.053 120.400 -0.075 0.000 2.341 4148 D HA 0.469 5.108 4.640 -0.001 0.000 0.245 4148 D C 0.827 177.100 176.300 -0.045 0.000 1.106 4148 D CA 1.055 55.026 54.000 -0.049 0.000 0.905 4148 D CB 1.515 42.297 40.800 -0.029 0.000 1.202 4148 D HN 1.505 nan 8.370 nan 0.000 0.426 4149 A N 2.544 125.342 122.820 -0.035 0.000 1.786 4149 A HA -0.251 4.068 4.320 -0.001 0.000 0.237 4149 A C -0.102 177.462 177.584 -0.033 0.000 1.309 4149 A CA 0.532 52.553 52.037 -0.026 0.000 0.713 4149 A CB -1.536 17.456 19.000 -0.014 0.000 1.194 4149 A HN 0.537 nan 8.150 nan 0.000 0.252 4150 Q N 0.698 120.474 119.800 -0.040 0.000 2.398 4150 Q HA 0.570 4.909 4.340 -0.001 0.000 0.251 4150 Q C 0.201 176.189 176.000 -0.020 0.000 0.999 4150 Q CA -0.243 55.533 55.803 -0.045 0.000 0.874 4150 Q CB 0.833 29.530 28.738 -0.069 0.000 1.215 4150 Q HN 0.818 nan 8.270 nan 0.000 0.470 4151 R N 0.403 120.900 120.500 -0.004 0.000 2.812 4151 R HA 0.496 4.835 4.340 -0.001 0.000 0.179 4151 R C -0.570 175.748 176.300 0.028 0.000 1.407 4151 R CA -0.350 55.757 56.100 0.011 0.000 1.031 4151 R CB -0.246 30.058 30.300 0.007 0.000 1.491 4151 R HN 0.642 nan 8.270 nan 0.000 0.619 4152 G N -0.110 108.718 108.800 0.047 0.000 2.348 4152 G HA2 0.603 4.563 3.960 -0.001 0.000 0.296 4152 G HA3 0.603 4.563 3.960 -0.001 0.000 0.296 4152 G C -1.599 173.376 174.900 0.124 0.000 1.258 4152 G CA -0.356 44.789 45.100 0.074 0.000 0.868 4152 G HN 0.544 nan 8.290 nan 0.000 0.488 4153 A N -0.176 122.743 122.820 0.165 0.000 2.260 4153 A HA 0.681 5.000 4.320 -0.001 0.000 0.308 4153 A C -0.696 177.064 177.584 0.293 0.000 1.254 4153 A CA -0.496 51.700 52.037 0.266 0.000 0.874 4153 A CB 0.239 19.429 19.000 0.317 0.000 1.153 4153 A HN 1.118 nan 8.150 nan 0.000 0.527 4154 F N 3.832 123.819 119.950 0.063 0.000 2.445 4154 F HA 0.402 4.928 4.527 -0.002 0.000 0.359 4154 F C -0.093 175.698 175.800 -0.016 0.000 1.101 4154 F CA -0.694 57.308 58.000 0.004 0.000 1.177 4154 F CB 0.894 39.871 39.000 -0.040 0.000 1.110 4154 F HN 0.305 nan 8.300 nan 0.000 0.522 4155 V N 6.843 126.660 119.914 -0.163 0.000 2.356 4155 V HA -0.020 4.099 4.120 -0.001 0.000 0.258 4155 V C 0.779 176.451 176.094 -0.705 0.000 1.065 4155 V CA 0.221 62.337 62.300 -0.307 0.000 0.935 4155 V CB 0.640 32.410 31.823 -0.088 0.000 1.061 4155 V HN 0.951 nan 8.190 nan 0.000 0.484 4156 S N 4.140 119.422 115.700 -0.696 0.000 2.436 4156 S HA 0.025 4.494 4.470 -0.001 0.000 0.228 4156 S C 0.604 175.008 174.600 -0.326 0.000 1.014 4156 S CA 0.918 58.744 58.200 -0.624 0.000 0.950 4156 S CB 0.058 62.979 63.200 -0.464 0.000 0.784 4156 S HN 0.947 nan 8.310 nan 0.000 0.504 4157 Q N -0.778 118.883 119.800 -0.231 0.000 2.617 4157 Q HA 0.520 4.859 4.340 -0.001 0.000 0.270 4157 Q C -1.610 174.339 176.000 -0.084 0.000 0.967 4157 Q CA -0.833 54.890 55.803 -0.133 0.000 0.887 4157 Q CB 1.451 30.123 28.738 -0.108 0.000 1.516 4157 Q HN -0.015 nan 8.270 nan 0.000 0.395 4158 V N 3.411 123.292 119.914 -0.056 0.000 2.370 4158 V HA 0.435 4.554 4.120 -0.001 0.000 0.279 4158 V C -0.352 175.728 176.094 -0.024 0.000 1.029 4158 V CA -0.706 61.577 62.300 -0.030 0.000 0.870 4158 V CB 1.049 32.859 31.823 -0.022 0.000 0.984 4158 V HN 0.812 nan 8.190 nan 0.000 0.451 4159 L N 9.043 130.258 121.223 -0.014 0.000 2.485 4159 L HA 0.258 4.597 4.340 -0.001 0.000 0.275 4159 L C -1.923 174.940 176.870 -0.012 0.000 1.207 4159 L CA -1.225 53.608 54.840 -0.012 0.000 0.855 4159 L CB 0.854 42.910 42.059 -0.004 0.000 1.114 4159 L HN 0.534 nan 8.230 nan 0.000 0.485 4160 P HA -0.001 nan 4.420 nan 0.000 0.269 4160 P C -0.244 177.050 177.300 -0.011 0.000 1.215 4160 P CA 0.041 63.133 63.100 -0.012 0.000 0.780 4160 P CB 0.235 31.927 31.700 -0.013 0.000 0.898 4161 N N -2.030 116.664 118.700 -0.010 0.000 2.666 4161 N HA -0.194 4.545 4.740 -0.001 0.000 0.248 4161 N C -0.093 175.411 175.510 -0.010 0.000 1.118 4161 N CA 0.427 53.471 53.050 -0.010 0.000 0.722 4161 N CB -0.961 37.520 38.487 -0.011 0.000 1.050 4161 N HN 0.550 nan 8.380 nan 0.000 0.550 4162 S N -2.108 113.586 115.700 -0.009 0.000 2.730 4162 S HA 0.449 4.918 4.470 -0.001 0.000 0.284 4162 S C 1.141 175.735 174.600 -0.009 0.000 1.153 4162 S CA -0.214 57.980 58.200 -0.009 0.000 0.995 4162 S CB 1.999 65.195 63.200 -0.007 0.000 1.058 4162 S HN 0.081 nan 8.310 nan 0.000 0.552 4163 S N -0.121 115.573 115.700 -0.009 0.000 2.425 4163 S HA 0.082 4.551 4.470 -0.001 0.000 0.225 4163 S C 1.973 176.569 174.600 -0.007 0.000 1.024 4163 S CA 0.777 58.971 58.200 -0.009 0.000 0.951 4163 S CB -1.109 62.084 63.200 -0.012 0.000 0.796 4163 S HN 0.892 nan 8.310 nan 0.000 0.498 4164 A N 1.435 124.252 122.820 -0.005 0.000 1.898 4164 A HA 0.233 4.552 4.320 -0.001 0.000 0.216 4164 A C 2.399 179.981 177.584 -0.003 0.000 1.181 4164 A CA 1.751 53.788 52.037 -0.002 0.000 0.620 4164 A CB -1.306 17.696 19.000 0.003 0.000 0.819 4164 A HN 0.674 nan 8.150 nan 0.000 0.442 4165 A N -0.196 122.621 122.820 -0.005 0.000 1.841 4165 A HA -0.130 4.190 4.320 -0.001 0.000 0.214 4165 A C 2.188 179.769 177.584 -0.006 0.000 1.195 4165 A CA 2.001 54.033 52.037 -0.007 0.000 0.611 4165 A CB -0.536 18.459 19.000 -0.009 0.000 0.835 4165 A HN 0.343 nan 8.150 nan 0.000 0.443 4166 K N 0.251 120.647 120.400 -0.007 0.000 1.987 4166 K HA -0.180 4.139 4.320 -0.001 0.000 0.216 4166 K C 2.165 178.762 176.600 -0.006 0.000 1.051 4166 K CA 2.084 58.367 56.287 -0.007 0.000 0.942 4166 K CB -0.911 31.584 32.500 -0.008 0.000 0.722 4166 K HN 0.363 nan 8.250 nan 0.000 0.444 4167 A N -0.077 122.740 122.820 -0.005 0.000 1.972 4167 A HA 0.081 4.400 4.320 -0.001 0.000 0.219 4167 A C 0.867 178.449 177.584 -0.002 0.000 1.169 4167 A CA 1.732 53.767 52.037 -0.004 0.000 0.635 4167 A CB -0.523 18.475 19.000 -0.004 0.000 0.810 4167 A HN 0.631 nan 8.150 nan 0.000 0.446 4168 G N -1.743 107.056 108.800 -0.002 0.000 3.088 4168 G HA2 0.367 4.326 3.960 -0.001 0.000 0.620 4168 G HA3 0.367 4.326 3.960 -0.001 0.000 0.620 4168 G C -0.949 173.952 174.900 0.002 0.000 1.375 4168 G CA -0.267 44.834 45.100 0.000 0.000 1.016 4168 G HN 0.848 nan 8.290 nan 0.000 0.590 4169 I N 0.463 121.034 120.570 0.002 0.000 2.397 4169 I HA 0.278 4.447 4.170 -0.001 0.000 0.311 4169 I C -1.098 175.019 176.117 0.000 0.000 2.151 4169 I CA -0.944 60.359 61.300 0.005 0.000 0.931 4169 I CB 2.179 40.183 38.000 0.006 0.000 1.653 4169 I HN 0.640 nan 8.210 nan 0.000 0.634 4170 K N 3.106 123.507 120.400 0.002 0.000 2.523 4170 K HA 0.730 5.049 4.320 -0.001 0.000 0.257 4170 K C -0.643 175.950 176.600 -0.011 0.000 0.932 4170 K CA -0.709 55.574 56.287 -0.006 0.000 0.812 4170 K CB 2.371 34.871 32.500 -0.000 0.000 1.326 4170 K HN 0.661 nan 8.250 nan 0.000 0.433 4171 A N 0.930 123.726 122.820 -0.040 0.000 2.609 4171 A HA 0.322 4.641 4.320 -0.001 0.000 0.232 4171 A C 1.224 178.800 177.584 -0.013 0.000 1.041 4171 A CA 1.800 53.786 52.037 -0.085 0.000 0.753 4171 A CB -0.671 18.258 19.000 -0.119 0.000 0.966 4171 A HN 1.033 nan 8.150 nan 0.000 0.510 4172 G N 1.507 110.316 108.800 0.015 0.000 2.604 4172 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.205 4172 G HA3 -0.191 3.769 3.960 -0.001 0.000 0.205 4172 G C -0.010 175.070 174.900 0.300 0.000 1.186 4172 G CA 0.182 45.459 45.100 0.295 0.000 0.753 4172 G HN 0.933 nan 8.290 nan 0.000 0.526 4173 D N 1.313 121.802 120.400 0.148 0.000 2.548 4173 D HA 0.333 4.972 4.640 -0.001 0.000 0.231 4173 D C 0.397 176.800 176.300 0.171 0.000 1.142 4173 D CA 0.715 54.788 54.000 0.122 0.000 0.866 4173 D CB 1.694 42.538 40.800 0.072 0.000 1.190 4173 D HN 0.362 nan 8.370 nan 0.000 0.469 4174 V N 3.602 123.603 119.914 0.146 0.000 2.334 4174 V HA 0.154 4.273 4.120 -0.001 0.000 0.281 4174 V C 0.489 176.646 176.094 0.104 0.000 1.016 4174 V CA -0.918 61.477 62.300 0.159 0.000 0.832 4174 V CB 1.021 32.915 31.823 0.119 0.000 0.999 4174 V HN 0.299 nan 8.190 nan 0.000 0.439 4175 I N 4.385 125.018 120.570 0.107 0.000 2.710 4175 I HA 0.073 4.242 4.170 -0.001 0.000 0.286 4175 I C 1.464 177.618 176.117 0.061 0.000 1.181 4175 I CA 1.116 62.460 61.300 0.073 0.000 1.430 4175 I CB 0.874 38.915 38.000 0.067 0.000 1.367 4175 I HN 0.689 nan 8.210 nan 0.000 0.577 4176 T N 2.325 116.904 114.554 0.042 0.000 2.969 4176 T HA 0.190 4.539 4.350 -0.001 0.000 0.250 4176 T C 0.294 175.008 174.700 0.023 0.000 1.021 4176 T CA 0.359 62.478 62.100 0.032 0.000 1.003 4176 T CB 0.109 68.992 68.868 0.025 0.000 1.040 4176 T HN 0.731 nan 8.240 nan 0.000 0.492 4177 S N 0.393 116.104 115.700 0.019 0.000 2.625 4177 S HA 0.730 5.199 4.470 -0.001 0.000 0.271 4177 S C -1.806 172.798 174.600 0.006 0.000 1.161 4177 S CA -0.978 57.228 58.200 0.010 0.000 0.820 4177 S CB 1.846 65.050 63.200 0.008 0.000 1.137 4177 S HN 0.166 nan 8.310 nan 0.000 0.470 4178 L N 1.732 122.955 121.223 -0.001 0.000 2.504 4178 L HA 0.479 4.818 4.340 -0.001 0.000 0.265 4178 L C -1.133 175.733 176.870 -0.007 0.000 0.975 4178 L CA -0.331 54.505 54.840 -0.006 0.000 0.864 4178 L CB 0.867 42.917 42.059 -0.015 0.000 1.212 4178 L HN 0.949 nan 8.230 nan 0.000 0.416 4179 N N 3.667 122.363 118.700 -0.006 0.000 2.746 4179 N HA -0.186 4.553 4.740 -0.001 0.000 0.250 4179 N C 0.877 176.384 175.510 -0.004 0.000 1.055 4179 N CA 1.382 54.428 53.050 -0.006 0.000 0.699 4179 N CB -1.031 37.451 38.487 -0.009 0.000 0.919 4179 N HN 1.128 nan 8.380 nan 0.000 0.548 4180 G N -1.700 107.099 108.800 -0.002 0.000 2.458 4180 G HA2 -0.406 3.553 3.960 -0.001 0.000 0.237 4180 G HA3 -0.406 3.553 3.960 -0.001 0.000 0.237 4180 G C 0.186 175.086 174.900 0.000 0.000 1.113 4180 G CA 0.894 45.993 45.100 -0.001 0.000 0.655 4180 G HN 0.529 nan 8.290 nan 0.000 0.513 4181 K N 2.257 122.656 120.400 -0.001 0.000 2.298 4181 K HA 0.509 4.828 4.320 -0.001 0.000 0.280 4181 K C -2.375 174.226 176.600 0.002 0.000 1.032 4181 K CA -1.554 54.732 56.287 -0.001 0.000 0.958 4181 K CB 0.723 33.221 32.500 -0.003 0.000 0.978 4181 K HN 0.151 nan 8.250 nan 0.000 0.472 4182 P HA -0.002 nan 4.420 nan 0.000 0.265 4182 P C -0.693 176.612 177.300 0.009 0.000 1.193 4182 P CA 0.194 63.299 63.100 0.007 0.000 0.765 4182 P CB 0.437 32.142 31.700 0.008 0.000 0.823 4183 I N 2.758 123.337 120.570 0.015 0.000 2.437 4183 I HA 0.082 4.251 4.170 -0.001 0.000 0.279 4183 I C 0.991 177.126 176.117 0.031 0.000 1.028 4183 I CA -0.086 61.225 61.300 0.018 0.000 1.142 4183 I CB 0.874 38.886 38.000 0.020 0.000 1.266 4183 I HN 0.317 nan 8.210 nan 0.000 0.461 4184 S N 2.845 118.563 115.700 0.030 0.000 2.548 4184 S HA 0.180 4.649 4.470 -0.001 0.000 0.215 4184 S C 0.569 175.201 174.600 0.054 0.000 0.976 4184 S CA -0.255 57.967 58.200 0.036 0.000 0.908 4184 S CB 0.022 63.238 63.200 0.026 0.000 0.781 4184 S HN 0.654 nan 8.310 nan 0.000 0.519 4185 S N -0.442 115.298 115.700 0.067 0.000 2.543 4185 S HA 0.540 5.009 4.470 -0.001 0.000 0.274 4185 S C -0.044 174.641 174.600 0.141 0.000 1.149 4185 S CA -0.832 57.432 58.200 0.106 0.000 0.866 4185 S CB 0.290 63.542 63.200 0.086 0.000 1.111 4185 S HN -0.025 nan 8.310 nan 0.000 0.457 4186 F N 2.623 122.596 119.950 0.037 0.000 2.087 4186 F HA -0.130 4.397 4.527 -0.001 0.000 0.299 4186 F C 2.567 178.381 175.800 0.025 0.000 1.100 4186 F CA 2.630 60.650 58.000 0.032 0.000 1.226 4186 F CB -0.989 38.031 39.000 0.034 0.000 0.983 4186 F HN 0.932 nan 8.300 nan 0.000 0.479 4187 A N 0.524 123.414 122.820 0.117 0.000 1.870 4187 A HA -0.295 4.024 4.320 -0.001 0.000 0.219 4187 A C 2.509 180.065 177.584 -0.048 0.000 1.224 4187 A CA 3.091 55.142 52.037 0.025 0.000 0.650 4187 A CB -1.815 17.225 19.000 0.067 0.000 0.836 4187 A HN 0.642 nan 8.150 nan 0.000 0.454 4188 A N -0.861 121.950 122.820 -0.015 0.000 1.903 4188 A HA -0.203 4.116 4.320 -0.001 0.000 0.219 4188 A C 2.314 179.855 177.584 -0.071 0.000 1.191 4188 A CA 1.942 53.964 52.037 -0.025 0.000 0.638 4188 A CB -0.753 18.246 19.000 -0.003 0.000 0.823 4188 A HN 0.664 nan 8.150 nan 0.000 0.451 4189 L N -1.438 119.715 121.223 -0.116 0.000 2.027 4189 L HA -0.165 4.174 4.340 -0.001 0.000 0.206 4189 L C 2.816 179.534 176.870 -0.255 0.000 1.074 4189 L CA 1.857 56.594 54.840 -0.172 0.000 0.745 4189 L CB -0.349 41.597 42.059 -0.189 0.000 0.898 4189 L HN 0.471 nan 8.230 nan 0.000 0.433 4190 R N -0.471 119.780 120.500 -0.415 0.000 2.105 4190 R HA -0.203 4.136 4.340 -0.001 0.000 0.239 4190 R C 2.157 178.350 176.300 -0.180 0.000 1.135 4190 R CA 1.566 57.433 56.100 -0.388 0.000 0.967 4190 R CB -0.233 29.792 30.300 -0.459 0.000 0.861 4190 R HN 0.512 nan 8.270 nan 0.000 0.442 4191 A N 0.108 122.854 122.820 -0.124 0.000 1.929 4191 A HA -0.136 4.183 4.320 -0.001 0.000 0.216 4191 A C 1.965 179.514 177.584 -0.059 0.000 1.176 4191 A CA 0.976 52.976 52.037 -0.061 0.000 0.628 4191 A CB -0.270 18.715 19.000 -0.026 0.000 0.816 4191 A HN 0.398 nan 8.150 nan 0.000 0.444 4192 Q N -0.148 119.611 119.800 -0.068 0.000 2.119 4192 Q HA -0.111 4.228 4.340 -0.001 0.000 0.201 4192 Q C 2.083 178.048 176.000 -0.058 0.000 0.972 4192 Q CA 1.869 57.639 55.803 -0.054 0.000 0.847 4192 Q CB -0.369 28.339 28.738 -0.050 0.000 0.903 4192 Q HN 0.707 nan 8.270 nan 0.000 0.433 4193 V N -2.888 116.980 119.914 -0.077 0.000 3.141 4193 V HA 0.047 4.167 4.120 -0.001 0.000 0.265 4193 V C 1.713 177.772 176.094 -0.059 0.000 1.126 4193 V CA 1.578 63.837 62.300 -0.069 0.000 1.141 4193 V CB -0.870 30.902 31.823 -0.086 0.000 0.743 4193 V HN 0.267 nan 8.190 nan 0.000 0.492 4194 G N -0.252 108.512 108.800 -0.059 0.000 2.985 4194 G HA2 0.085 4.045 3.960 -0.001 0.000 0.209 4194 G HA3 0.085 4.045 3.960 -0.001 0.000 0.209 4194 G C 0.914 175.790 174.900 -0.041 0.000 1.165 4194 G CA 0.716 45.787 45.100 -0.048 0.000 0.776 4194 G HN 0.503 nan 8.290 nan 0.000 0.541 4195 T N 1.135 115.665 114.554 -0.039 0.000 3.269 4195 T HA 0.469 4.819 4.350 -0.001 0.000 0.269 4195 T C -0.093 174.588 174.700 -0.032 0.000 0.993 4195 T CA 0.013 62.093 62.100 -0.034 0.000 0.909 4195 T CB -0.171 68.679 68.868 -0.030 0.000 1.115 4195 T HN 0.096 nan 8.240 nan 0.000 0.543 4196 M N 1.917 121.496 119.600 -0.035 0.000 2.182 4196 M HA 0.352 4.831 4.480 -0.001 0.000 0.266 4196 M C -2.995 173.282 176.300 -0.038 0.000 0.989 4196 M CA -1.607 53.672 55.300 -0.034 0.000 1.003 4196 M CB 2.818 35.398 32.600 -0.034 0.000 1.812 4196 M HN -0.193 nan 8.290 nan 0.000 0.472 4197 P HA 0.250 nan 4.420 nan 0.000 0.274 4197 P C -0.415 176.852 177.300 -0.055 0.000 1.231 4197 P CA -0.538 62.532 63.100 -0.051 0.000 0.790 4197 P CB 0.541 32.209 31.700 -0.053 0.000 0.951 4198 V N 1.524 121.399 119.914 -0.066 0.000 3.212 4198 V HA -0.038 4.081 4.120 -0.001 0.000 0.280 4198 V C 1.924 177.985 176.094 -0.056 0.000 1.369 4198 V CA 1.693 63.955 62.300 -0.063 0.000 1.428 4198 V CB -1.290 30.485 31.823 -0.080 0.000 0.980 4198 V HN 1.058 nan 8.190 nan 0.000 0.527 4199 G N 2.195 110.967 108.800 -0.046 0.000 2.228 4199 G HA2 -0.307 3.653 3.960 -0.001 0.000 0.270 4199 G HA3 -0.307 3.653 3.960 -0.001 0.000 0.270 4199 G C 0.445 175.325 174.900 -0.033 0.000 0.976 4199 G CA 0.519 45.596 45.100 -0.039 0.000 0.636 4199 G HN 0.946 nan 8.290 nan 0.000 0.542 4200 S N 0.053 115.733 115.700 -0.033 0.000 2.589 4200 S HA 0.470 4.939 4.470 -0.001 0.000 0.265 4200 S C 0.460 175.046 174.600 -0.024 0.000 1.342 4200 S CA 0.182 58.365 58.200 -0.028 0.000 1.005 4200 S CB 0.927 64.110 63.200 -0.029 0.000 0.909 4200 S HN 0.453 nan 8.310 nan 0.000 0.555 4201 K N 1.865 122.253 120.400 -0.020 0.000 2.413 4201 K HA 0.487 4.806 4.320 -0.001 0.000 0.257 4201 K C -1.043 175.547 176.600 -0.016 0.000 0.946 4201 K CA -0.399 55.878 56.287 -0.017 0.000 0.823 4201 K CB 1.164 33.656 32.500 -0.014 0.000 1.109 4201 K HN 0.525 nan 8.250 nan 0.000 0.427 4202 L N 0.113 121.327 121.223 -0.015 0.000 2.446 4202 L HA 0.475 4.814 4.340 -0.001 0.000 0.268 4202 L C -0.520 176.344 176.870 -0.011 0.000 0.975 4202 L CA -0.715 54.116 54.840 -0.014 0.000 0.848 4202 L CB 1.876 43.924 42.059 -0.018 0.000 1.225 4202 L HN 0.365 nan 8.230 nan 0.000 0.410 4203 T N 5.128 119.677 114.554 -0.008 0.000 2.749 4203 T HA 0.664 5.013 4.350 -0.001 0.000 0.295 4203 T C -0.379 174.319 174.700 -0.003 0.000 0.936 4203 T CA -0.206 61.891 62.100 -0.005 0.000 1.060 4203 T CB 0.160 69.026 68.868 -0.004 0.000 0.904 4203 T HN 0.491 nan 8.240 nan 0.000 0.500 4204 L N 4.055 125.279 121.223 0.000 0.000 2.341 4204 L HA 0.848 5.187 4.340 -0.001 0.000 0.267 4204 L C 0.519 177.394 176.870 0.009 0.000 1.009 4204 L CA -1.243 53.599 54.840 0.004 0.000 0.819 4204 L CB 0.903 42.965 42.059 0.004 0.000 1.323 4204 L HN 0.606 nan 8.230 nan 0.000 0.425 4205 G N 1.681 110.488 108.800 0.012 0.000 2.325 4205 G HA2 0.645 4.604 3.960 -0.001 0.000 0.298 4205 G HA3 0.645 4.604 3.960 -0.001 0.000 0.298 4205 G C -0.533 174.381 174.900 0.023 0.000 1.134 4205 G CA -0.413 44.696 45.100 0.015 0.000 0.876 4205 G HN 0.515 nan 8.290 nan 0.000 0.452 4206 L N 0.940 122.178 121.223 0.025 0.000 2.376 4206 L HA 0.682 5.021 4.340 -0.001 0.000 0.267 4206 L C -0.258 176.633 176.870 0.034 0.000 1.035 4206 L CA -1.051 53.810 54.840 0.035 0.000 0.800 4206 L CB 2.032 44.111 42.059 0.034 0.000 1.290 4206 L HN 0.340 nan 8.230 nan 0.000 0.462 4207 L N 0.609 121.858 121.223 0.043 0.000 2.482 4207 L HA 0.429 4.768 4.340 -0.001 0.000 0.269 4207 L C -0.133 176.762 176.870 0.041 0.000 0.967 4207 L CA -0.087 54.774 54.840 0.036 0.000 0.851 4207 L CB 1.547 43.626 42.059 0.034 0.000 1.242 4207 L HN 0.638 nan 8.230 nan 0.000 0.404 4208 R N 1.119 121.638 120.500 0.030 0.000 2.716 4208 R HA 0.234 4.573 4.340 -0.001 0.000 0.186 4208 R C -0.148 176.163 176.300 0.019 0.000 0.830 4208 R CA 0.545 56.663 56.100 0.030 0.000 1.059 4208 R CB 0.791 31.108 30.300 0.029 0.000 1.531 4208 R HN 0.727 nan 8.270 nan 0.000 0.633 4209 D N -2.432 117.977 120.400 0.015 0.000 2.153 4209 D HA 0.146 4.785 4.640 -0.001 0.000 0.388 4209 D C 0.209 176.515 176.300 0.009 0.000 1.014 4209 D CA 0.763 54.769 54.000 0.010 0.000 0.906 4209 D CB 1.822 42.627 40.800 0.009 0.000 1.552 4209 D HN 0.312 nan 8.370 nan 0.000 0.522 4210 G N 1.808 110.616 108.800 0.012 0.000 2.885 4210 G HA2 -0.031 3.928 3.960 -0.001 0.000 0.233 4210 G HA3 -0.031 3.928 3.960 -0.001 0.000 0.233 4210 G C -0.633 174.274 174.900 0.012 0.000 2.964 4210 G CA -0.716 44.391 45.100 0.011 0.000 0.824 4210 G HN -0.157 nan 8.290 nan 0.000 0.441 4211 K N 0.526 120.935 120.400 0.015 0.000 2.130 4211 K HA 0.724 5.043 4.320 -0.001 0.000 0.268 4211 K C -0.123 176.486 176.600 0.015 0.000 0.983 4211 K CA -0.582 55.714 56.287 0.014 0.000 0.893 4211 K CB 2.441 34.951 32.500 0.017 0.000 1.066 4211 K HN 0.550 nan 8.250 nan 0.000 0.450 4212 Q N 1.102 120.909 119.800 0.012 0.000 2.353 4212 Q HA 0.501 4.840 4.340 -0.001 0.000 0.275 4212 Q C -1.626 174.379 176.000 0.008 0.000 1.029 4212 Q CA -0.645 55.164 55.803 0.011 0.000 0.848 4212 Q CB 1.937 30.680 28.738 0.009 0.000 1.390 4212 Q HN 0.371 nan 8.270 nan 0.000 0.401 4213 V N 1.895 121.814 119.914 0.007 0.000 3.167 4213 V HA 0.657 4.776 4.120 -0.001 0.000 0.310 4213 V C -1.102 174.993 176.094 0.002 0.000 1.207 4213 V CA -1.043 61.260 62.300 0.004 0.000 1.059 4213 V CB 2.251 34.076 31.823 0.004 0.000 1.079 4213 V HN 0.944 nan 8.190 nan 0.000 0.446 4214 N N 0.904 119.604 118.700 -0.000 0.000 2.225 4214 N HA 0.815 5.554 4.740 -0.001 0.000 0.298 4214 N C -1.046 174.461 175.510 -0.004 0.000 1.076 4214 N CA -0.452 52.597 53.050 -0.003 0.000 0.792 4214 N CB 2.378 40.863 38.487 -0.003 0.000 1.498 4214 N HN 1.072 nan 8.380 nan 0.000 0.474 4215 V N -1.584 118.326 119.914 -0.006 0.000 3.282 4215 V HA 0.619 4.738 4.120 -0.001 0.000 0.295 4215 V C -1.425 174.662 176.094 -0.011 0.000 1.451 4215 V CA -1.162 61.133 62.300 -0.008 0.000 1.062 4215 V CB 1.751 33.570 31.823 -0.007 0.000 1.128 4215 V HN 0.956 nan 8.190 nan 0.000 0.456 4216 N N 1.853 120.546 118.700 -0.013 0.000 2.372 4216 N HA 0.534 5.273 4.740 -0.001 0.000 0.285 4216 N C -0.977 174.522 175.510 -0.019 0.000 1.008 4216 N CA -0.458 52.582 53.050 -0.017 0.000 0.880 4216 N CB 1.853 40.330 38.487 -0.017 0.000 1.239 4216 N HN 0.915 nan 8.380 nan 0.000 0.484 4217 L N 0.833 122.042 121.223 -0.022 0.000 2.399 4217 L HA 0.637 4.976 4.340 -0.001 0.000 0.265 4217 L C 0.651 177.504 176.870 -0.028 0.000 1.089 4217 L CA -0.513 54.313 54.840 -0.023 0.000 0.802 4217 L CB 0.185 42.229 42.059 -0.025 0.000 1.180 4217 L HN 0.549 nan 8.230 nan 0.000 0.454 4218 E N 0.959 121.142 120.200 -0.027 0.000 2.316 4218 E HA 0.354 4.703 4.350 -0.001 0.000 0.258 4218 E C -0.687 175.893 176.600 -0.033 0.000 0.952 4218 E CA -1.098 55.284 56.400 -0.031 0.000 0.818 4218 E CB 1.409 31.093 29.700 -0.027 0.000 1.260 4218 E HN 0.543 nan 8.360 nan 0.000 0.416 4219 L N 1.842 123.042 121.223 -0.039 0.000 2.593 4219 L HA -0.073 4.267 4.340 -0.001 0.000 0.287 4219 L C 0.821 177.675 176.870 -0.027 0.000 1.243 4219 L CA 0.994 55.811 54.840 -0.038 0.000 0.890 4219 L CB 0.106 42.140 42.059 -0.042 0.000 1.134 4219 L HN 0.825 nan 8.230 nan 0.000 0.502 4220 Q N 3.172 122.957 119.800 -0.024 0.000 2.651 4220 Q HA -0.031 4.309 4.340 -0.001 0.000 0.224 4220 Q C 0.695 176.688 176.000 -0.011 0.000 1.094 4220 Q CA 0.147 55.941 55.803 -0.015 0.000 1.018 4220 Q CB 0.608 29.337 28.738 -0.014 0.000 1.292 4220 Q HN 0.698 nan 8.270 nan 0.000 0.588 4221 Q N 0.388 120.185 119.800 -0.006 0.000 2.281 4221 Q HA 0.098 4.438 4.340 -0.001 0.000 0.215 4221 Q C 1.046 177.045 176.000 -0.001 0.000 0.867 4221 Q CA 0.582 56.383 55.803 -0.004 0.000 0.940 4221 Q CB 0.344 29.079 28.738 -0.004 0.000 1.111 4221 Q HN 0.600 nan 8.270 nan 0.000 0.513 4222 S N 2.129 117.831 115.700 0.002 0.000 2.356 4222 S HA -0.045 4.424 4.470 -0.001 0.000 0.223 4222 S C 0.963 175.566 174.600 0.006 0.000 1.032 4222 S CA 1.119 59.323 58.200 0.007 0.000 1.005 4222 S CB -0.097 63.110 63.200 0.011 0.000 0.867 4222 S HN 0.669 nan 8.310 nan 0.000 0.449 4223 S N 1.969 117.670 115.700 0.003 0.000 2.411 4223 S HA 0.573 5.042 4.470 -0.001 0.000 0.304 4223 S C -0.534 174.067 174.600 0.001 0.000 1.098 4223 S CA -0.702 57.500 58.200 0.003 0.000 1.068 4223 S CB 0.719 63.921 63.200 0.002 0.000 1.032 4223 S HN 0.348 nan 8.310 nan 0.000 0.511 4224 Q N 2.298 122.099 119.800 0.001 0.000 2.605 4224 Q HA 0.528 4.867 4.340 -0.001 0.000 0.296 4224 Q C -0.752 175.246 176.000 -0.003 0.000 1.056 4224 Q CA -1.157 54.645 55.803 -0.002 0.000 0.778 4224 Q CB 1.407 30.142 28.738 -0.005 0.000 1.497 4224 Q HN 0.675 nan 8.270 nan 0.000 0.443 4225 N N -0.116 118.580 118.700 -0.007 0.000 2.525 4225 N HA 0.383 5.122 4.740 -0.001 0.000 0.288 4225 N C -0.398 175.096 175.510 -0.027 0.000 1.242 4225 N CA -0.256 52.787 53.050 -0.012 0.000 0.905 4225 N CB 1.826 40.309 38.487 -0.007 0.000 1.258 4225 N HN 0.501 nan 8.380 nan 0.000 0.551 4226 Q N -0.433 119.342 119.800 -0.042 0.000 1.734 4226 Q HA 0.163 4.502 4.340 -0.001 0.000 0.147 4226 Q C 0.851 176.776 176.000 -0.126 0.000 0.447 4226 Q CA -0.178 55.578 55.803 -0.078 0.000 0.734 4226 Q CB 0.177 28.866 28.738 -0.080 0.000 0.855 4226 Q HN 0.449 nan 8.270 nan 0.000 0.259 4227 V N -0.581 119.230 119.914 -0.171 0.000 3.271 4227 V HA 0.288 4.407 4.120 -0.001 0.000 0.327 4227 V C -0.003 176.029 176.094 -0.103 0.000 1.389 4227 V CA 0.873 63.023 62.300 -0.250 0.000 1.156 4227 V CB -0.053 31.423 31.823 -0.579 0.000 1.103 4227 V HN 0.590 nan 8.190 nan 0.000 0.453 4228 D N -1.197 119.174 120.400 -0.049 0.000 2.433 4228 D HA 0.117 4.756 4.640 -0.001 0.000 0.211 4228 D C 1.625 177.928 176.300 0.007 0.000 1.114 4228 D CA 0.756 54.755 54.000 -0.002 0.000 0.837 4228 D CB 0.604 41.411 40.800 0.011 0.000 0.984 4228 D HN 0.276 nan 8.370 nan 0.000 0.505 4229 S N -0.493 115.203 115.700 -0.006 0.000 2.348 4229 S HA 0.049 4.518 4.470 -0.001 0.000 0.219 4229 S C 0.792 175.399 174.600 0.013 0.000 1.033 4229 S CA 0.264 58.467 58.200 0.005 0.000 0.974 4229 S CB -0.046 63.153 63.200 -0.002 0.000 0.868 4229 S HN 0.203 nan 8.310 nan 0.000 0.459 4230 S N 2.197 117.902 115.700 0.009 0.000 2.410 4230 S HA 0.206 4.675 4.470 -0.001 0.000 0.304 4230 S C 1.154 175.776 174.600 0.036 0.000 1.095 4230 S CA -0.450 57.763 58.200 0.022 0.000 1.089 4230 S CB 1.352 64.564 63.200 0.021 0.000 0.968 4230 S HN 0.540 nan 8.310 nan 0.000 0.480 4231 S N 2.996 118.722 115.700 0.042 0.000 2.462 4231 S HA -0.214 4.255 4.470 -0.001 0.000 0.251 4231 S C 1.301 175.947 174.600 0.078 0.000 1.018 4231 S CA 0.945 59.178 58.200 0.054 0.000 0.988 4231 S CB -0.595 62.633 63.200 0.046 0.000 0.766 4231 S HN 0.656 nan 8.310 nan 0.000 0.504 4232 I N 0.175 120.794 120.570 0.082 0.000 3.252 4232 I HA 0.444 4.614 4.170 -0.001 0.000 0.151 4232 I C 0.283 176.532 176.117 0.220 0.000 1.031 4232 I CA 0.760 62.133 61.300 0.120 0.000 1.364 4232 I CB -0.011 38.049 38.000 0.099 0.000 1.211 4232 I HN 0.398 nan 8.210 nan 0.000 0.436 4233 F N -0.598 119.362 119.950 0.017 0.000 2.765 4233 F HA 0.256 4.783 4.527 -0.001 0.000 0.313 4233 F C -0.643 175.167 175.800 0.017 0.000 1.136 4233 F CA -0.571 57.439 58.000 0.017 0.000 0.952 4233 F CB 0.192 39.201 39.000 0.015 0.000 1.268 4233 F HN 0.482 nan 8.300 nan 0.000 0.441 4234 N N 1.198 119.469 118.700 -0.714 0.000 2.448 4234 N HA 0.340 5.079 4.740 -0.001 0.000 0.203 4234 N C -1.885 173.299 175.510 -0.543 0.000 1.794 4234 N CA -0.593 52.245 53.050 -0.353 0.000 1.445 4234 N CB 0.660 39.043 38.487 -0.174 0.000 1.055 4234 N HN 0.546 nan 8.380 nan 0.000 0.859 4235 E N 0.009 120.183 120.200 -0.044 0.000 2.956 4235 E HA 0.269 4.619 4.350 -0.001 0.000 0.353 4235 E C -1.195 175.392 176.600 -0.022 0.000 1.131 4235 E CA -0.053 56.327 56.400 -0.033 0.000 0.851 4235 E CB 0.750 30.434 29.700 -0.026 0.000 1.500 4235 E HN 0.212 nan 8.360 nan 0.000 0.384 4236 M N 0.729 120.317 119.600 -0.021 0.000 2.278 4236 M HA 0.531 5.010 4.480 -0.001 0.000 0.227 4236 M C 0.485 176.779 176.300 -0.010 0.000 1.138 4236 M CA -0.209 55.083 55.300 -0.014 0.000 1.014 4236 M CB 0.808 33.402 32.600 -0.011 0.000 1.289 4236 M HN 0.301 nan 8.290 nan 0.000 0.567 4237 S N -1.983 113.712 115.700 -0.007 0.000 2.663 4237 S HA 0.474 4.943 4.470 -0.001 0.000 0.264 4237 S C -1.558 173.038 174.600 -0.006 0.000 1.112 4237 S CA -1.329 56.867 58.200 -0.005 0.000 0.823 4237 S CB 0.487 63.682 63.200 -0.009 0.000 1.111 4237 S HN 0.567 nan 8.310 nan 0.000 0.476 4238 N N 0.732 119.426 118.700 -0.010 0.000 2.483 4238 N HA 0.528 5.268 4.740 -0.001 0.000 0.269 4238 N C -0.798 174.696 175.510 -0.027 0.000 1.209 4238 N CA -0.267 52.772 53.050 -0.018 0.000 0.969 4238 N CB 1.020 39.488 38.487 -0.032 0.000 1.173 4238 N HN 0.628 nan 8.380 nan 0.000 0.475 4239 K N 0.384 120.767 120.400 -0.028 0.000 2.413 4239 K HA 0.469 4.788 4.320 -0.001 0.000 0.257 4239 K C 0.489 177.066 176.600 -0.038 0.000 0.946 4239 K CA -0.301 55.968 56.287 -0.029 0.000 0.823 4239 K CB 0.806 33.294 32.500 -0.020 0.000 1.109 4239 K HN 0.686 nan 8.250 nan 0.000 0.427 4240 G N 3.781 112.555 108.800 -0.044 0.000 2.568 4240 G HA2 -0.374 3.586 3.960 -0.001 0.000 0.334 4240 G HA3 -0.374 3.586 3.960 -0.001 0.000 0.334 4240 G C -0.119 174.741 174.900 -0.067 0.000 1.348 4240 G CA 0.588 45.658 45.100 -0.050 0.000 0.949 4240 G HN 0.737 nan 8.290 nan 0.000 0.532 4241 K N 0.638 121.002 120.400 -0.060 0.000 2.797 4241 K HA 0.104 4.423 4.320 -0.001 0.000 0.307 4241 K C 0.530 177.095 176.600 -0.058 0.000 1.072 4241 K CA 0.647 56.892 56.287 -0.071 0.000 0.981 4241 K CB -0.725 31.746 32.500 -0.048 0.000 1.078 4241 K HN 0.444 nan 8.250 nan 0.000 0.459 4242 D N 1.223 121.601 120.400 -0.037 0.000 2.941 4242 D HA 0.012 4.652 4.640 -0.001 0.000 0.236 4242 D C -0.299 175.999 176.300 -0.004 0.000 1.147 4242 D CA 0.422 54.416 54.000 -0.010 0.000 0.975 4242 D CB -0.486 40.322 40.800 0.015 0.000 1.162 4242 D HN 0.231 nan 8.370 nan 0.000 0.444 4243 Q N 0.732 120.524 119.800 -0.012 0.000 2.819 4243 Q HA 0.384 4.723 4.340 -0.001 0.000 0.392 4243 Q C 0.814 176.812 176.000 -0.003 0.000 1.088 4243 Q CA -0.620 55.179 55.803 -0.007 0.000 1.062 4243 Q CB 0.869 29.600 28.738 -0.012 0.000 1.369 4243 Q HN 0.426 nan 8.270 nan 0.000 0.434 4244 G N -0.234 108.569 108.800 0.005 0.000 2.750 4244 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.228 4244 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.228 4244 G C -0.637 174.266 174.900 0.005 0.000 1.367 4244 G CA -0.740 44.365 45.100 0.009 0.000 0.871 4244 G HN 0.261 nan 8.290 nan 0.000 0.560 4245 V N 0.166 120.084 119.914 0.007 0.000 2.349 4245 V HA 0.499 4.619 4.120 -0.001 0.000 0.284 4245 V C 0.637 176.730 176.094 -0.002 0.000 1.014 4245 V CA -0.656 61.647 62.300 0.004 0.000 0.826 4245 V CB 1.349 33.178 31.823 0.011 0.000 1.009 4245 V HN 0.844 nan 8.190 nan 0.000 0.431 4246 V N 5.901 125.811 119.914 -0.007 0.000 2.488 4246 V HA 0.249 4.369 4.120 -0.001 0.000 0.277 4246 V C 0.317 176.404 176.094 -0.011 0.000 1.046 4246 V CA -0.011 62.283 62.300 -0.010 0.000 0.986 4246 V CB 1.812 33.627 31.823 -0.013 0.000 0.989 4246 V HN 0.653 nan 8.190 nan 0.000 0.475 4247 V N 7.686 127.593 119.914 -0.012 0.000 2.607 4247 V HA 0.447 4.566 4.120 -0.001 0.000 0.289 4247 V C 0.373 176.459 176.094 -0.013 0.000 1.053 4247 V CA -0.272 62.021 62.300 -0.013 0.000 0.996 4247 V CB 1.400 33.215 31.823 -0.013 0.000 0.995 4247 V HN 0.973 nan 8.190 nan 0.000 0.476 4248 N N 3.780 122.471 118.700 -0.014 0.000 2.752 4248 N HA 0.292 5.031 4.740 -0.001 0.000 0.316 4248 N C -0.334 175.169 175.510 -0.012 0.000 1.343 4248 N CA -0.732 52.310 53.050 -0.013 0.000 0.875 4248 N CB -0.001 38.479 38.487 -0.012 0.000 1.120 4248 N HN 0.687 nan 8.380 nan 0.000 0.562 4249 N N 1.743 120.436 118.700 -0.011 0.000 2.291 4249 N HA -0.046 4.693 4.740 -0.001 0.000 0.281 4249 N C 0.042 175.546 175.510 -0.010 0.000 1.388 4249 N CA 0.224 53.268 53.050 -0.009 0.000 0.920 4249 N CB -0.228 38.255 38.487 -0.008 0.000 1.276 4249 N HN 0.272 nan 8.380 nan 0.000 0.493 4250 V N 0.537 120.446 119.914 -0.009 0.000 3.185 4250 V HA 0.306 4.425 4.120 -0.001 0.000 0.305 4250 V C 0.973 177.064 176.094 -0.005 0.000 1.090 4250 V CA -0.343 61.952 62.300 -0.009 0.000 1.107 4250 V CB 1.029 32.847 31.823 -0.007 0.000 1.061 4250 V HN 0.297 nan 8.190 nan 0.000 0.480 4251 K N 1.150 121.548 120.400 -0.003 0.000 2.642 4251 K HA 0.510 4.829 4.320 -0.001 0.000 0.273 4251 K C 1.268 177.874 176.600 0.009 0.000 1.029 4251 K CA -0.006 56.283 56.287 0.004 0.000 1.071 4251 K CB 0.596 33.099 32.500 0.006 0.000 1.451 4251 K HN 0.830 nan 8.250 nan 0.000 0.559 4252 T N -0.228 114.335 114.554 0.015 0.000 3.010 4252 T HA 0.011 4.361 4.350 -0.001 0.000 0.252 4252 T C 1.653 176.367 174.700 0.024 0.000 1.047 4252 T CA 1.015 63.126 62.100 0.018 0.000 1.140 4252 T CB -0.206 68.674 68.868 0.020 0.000 0.885 4252 T HN 0.700 nan 8.240 nan 0.000 0.464 4253 G N 1.944 110.763 108.800 0.032 0.000 2.448 4253 G HA2 -0.150 3.809 3.960 -0.001 0.000 0.219 4253 G HA3 -0.150 3.809 3.960 -0.001 0.000 0.219 4253 G C 1.059 175.982 174.900 0.037 0.000 1.127 4253 G CA 1.638 46.764 45.100 0.042 0.000 0.766 4253 G HN 0.700 nan 8.290 nan 0.000 0.552 4254 T N -2.691 111.879 114.554 0.028 0.000 3.996 4254 T HA -0.193 4.156 4.350 -0.001 0.000 0.348 4254 T C -0.740 173.977 174.700 0.027 0.000 0.757 4254 T CA 1.119 63.232 62.100 0.022 0.000 1.898 4254 T CB -2.253 66.625 68.868 0.017 0.000 1.861 4254 T HN 0.423 nan 8.240 nan 0.000 0.821 4255 P HA 0.150 nan 4.420 nan 0.000 0.218 4255 P C 1.752 179.072 177.300 0.033 0.000 1.149 4255 P CA 1.446 64.577 63.100 0.051 0.000 0.817 4255 P CB -0.255 31.498 31.700 0.089 0.000 0.785 4256 A N -0.657 122.171 122.820 0.013 0.000 2.044 4256 A HA 0.279 4.598 4.320 -0.001 0.000 0.213 4256 A C 2.166 179.752 177.584 0.003 0.000 1.169 4256 A CA 1.076 53.114 52.037 0.003 0.000 0.724 4256 A CB -1.168 17.822 19.000 -0.016 0.000 0.840 4256 A HN 0.139 nan 8.150 nan 0.000 0.463 4257 A N -0.470 122.352 122.820 0.004 0.000 1.929 4257 A HA -0.137 4.182 4.320 -0.001 0.000 0.216 4257 A C 1.988 179.575 177.584 0.006 0.000 1.176 4257 A CA 1.412 53.450 52.037 0.002 0.000 0.628 4257 A CB -0.509 18.492 19.000 0.002 0.000 0.816 4257 A HN 0.558 nan 8.150 nan 0.000 0.444 4258 Q N -1.461 118.346 119.800 0.012 0.000 2.368 4258 Q HA -0.104 4.235 4.340 -0.001 0.000 0.210 4258 Q C 0.865 176.874 176.000 0.015 0.000 0.982 4258 Q CA 0.824 56.636 55.803 0.015 0.000 0.884 4258 Q CB -0.140 28.612 28.738 0.022 0.000 0.933 4258 Q HN 0.604 nan 8.270 nan 0.000 0.460 4259 I N -0.542 120.036 120.570 0.014 0.000 3.858 4259 I HA 0.157 4.326 4.170 -0.001 0.000 0.325 4259 I C 0.630 176.752 176.117 0.008 0.000 1.403 4259 I CA 0.479 61.788 61.300 0.015 0.000 1.169 4259 I CB 0.040 38.051 38.000 0.019 0.000 1.077 4259 I HN 0.206 nan 8.210 nan 0.000 0.403 4260 G N 0.971 109.773 108.800 0.003 0.000 2.160 4260 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.244 4260 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.244 4260 G C -0.252 174.640 174.900 -0.013 0.000 1.022 4260 G CA -0.007 45.089 45.100 -0.006 0.000 0.741 4260 G HN 0.208 nan 8.290 nan 0.000 0.508 4261 L N 0.516 121.734 121.223 -0.009 0.000 2.294 4261 L HA 0.566 4.905 4.340 -0.001 0.000 0.283 4261 L C 0.807 177.669 176.870 -0.012 0.000 1.015 4261 L CA -0.502 54.330 54.840 -0.013 0.000 0.831 4261 L CB 1.392 43.445 42.059 -0.010 0.000 1.217 4261 L HN 0.291 nan 8.230 nan 0.000 0.420 4262 K N 2.040 122.431 120.400 -0.016 0.000 3.015 4262 K HA 0.236 4.555 4.320 -0.001 0.000 0.340 4262 K C 0.883 177.475 176.600 -0.013 0.000 1.002 4262 K CA -0.009 56.270 56.287 -0.014 0.000 1.190 4262 K CB 0.533 33.023 32.500 -0.017 0.000 1.241 4262 K HN 0.454 nan 8.250 nan 0.000 0.507 4263 K N -1.004 119.388 120.400 -0.013 0.000 2.262 4263 K HA 0.096 4.416 4.320 -0.001 0.000 0.200 4263 K C 0.503 177.095 176.600 -0.014 0.000 1.049 4263 K CA 0.747 57.026 56.287 -0.012 0.000 0.979 4263 K CB 0.596 33.090 32.500 -0.011 0.000 0.773 4263 K HN 0.552 nan 8.250 nan 0.000 0.474 4264 G N 2.094 110.885 108.800 -0.015 0.000 4.713 4264 G HA2 0.165 4.125 3.960 -0.001 0.000 0.318 4264 G HA3 0.165 4.125 3.960 -0.001 0.000 0.318 4264 G C -1.616 173.273 174.900 -0.018 0.000 1.435 4264 G CA -0.463 44.628 45.100 -0.016 0.000 0.965 4264 G HN -0.030 nan 8.290 nan 0.000 0.542 4265 D N 1.006 121.395 120.400 -0.019 0.000 2.381 4265 D HA 0.429 5.068 4.640 -0.001 0.000 0.235 4265 D C 0.560 176.849 176.300 -0.018 0.000 1.068 4265 D CA -0.269 53.718 54.000 -0.022 0.000 0.832 4265 D CB 2.390 43.176 40.800 -0.024 0.000 1.101 4265 D HN 0.095 nan 8.370 nan 0.000 0.515 4266 V N 2.259 122.162 119.914 -0.018 0.000 3.214 4266 V HA 0.406 4.525 4.120 -0.001 0.000 0.306 4266 V C 0.643 176.733 176.094 -0.007 0.000 1.078 4266 V CA -0.579 61.714 62.300 -0.011 0.000 1.077 4266 V CB 0.992 32.809 31.823 -0.010 0.000 1.121 4266 V HN 0.486 nan 8.190 nan 0.000 0.468 4267 I N 2.624 123.196 120.570 0.003 0.000 2.719 4267 I HA 0.246 4.415 4.170 -0.001 0.000 0.275 4267 I C 0.165 176.296 176.117 0.022 0.000 1.228 4267 I CA -0.181 61.127 61.300 0.013 0.000 1.035 4267 I CB 1.288 39.297 38.000 0.015 0.000 1.286 4267 I HN 0.462 nan 8.210 nan 0.000 0.531 4268 I N 1.900 122.486 120.570 0.026 0.000 3.226 4268 I HA 0.133 4.303 4.170 -0.001 0.000 0.277 4268 I C 1.452 177.594 176.117 0.042 0.000 1.243 4268 I CA 0.629 61.947 61.300 0.030 0.000 1.459 4268 I CB -0.702 37.315 38.000 0.028 0.000 1.093 4268 I HN 0.428 nan 8.210 nan 0.000 0.453 4269 G N 1.528 110.362 108.800 0.056 0.000 2.350 4269 G HA2 0.465 4.424 3.960 -0.001 0.000 0.306 4269 G HA3 0.465 4.424 3.960 -0.001 0.000 0.306 4269 G C 0.458 175.391 174.900 0.056 0.000 1.094 4269 G CA -0.250 44.891 45.100 0.068 0.000 0.953 4269 G HN 0.281 nan 8.290 nan 0.000 0.420 4270 A N 3.481 126.326 122.820 0.042 0.000 3.004 4270 A HA 0.265 4.584 4.320 -0.001 0.000 0.252 4270 A C 1.410 179.014 177.584 0.033 0.000 1.802 4270 A CA 0.274 52.332 52.037 0.034 0.000 1.424 4270 A CB -1.033 17.984 19.000 0.027 0.000 1.005 4270 A HN 1.396 nan 8.150 nan 0.000 0.631 4271 N N -0.230 118.496 118.700 0.043 0.000 2.815 4271 N HA -0.339 4.401 4.740 -0.001 0.000 0.247 4271 N C 0.888 176.412 175.510 0.023 0.000 1.030 4271 N CA 2.774 55.848 53.050 0.040 0.000 0.881 4271 N CB -0.684 37.821 38.487 0.030 0.000 1.134 4271 N HN 0.915 nan 8.380 nan 0.000 0.582 4272 Q N -5.439 114.374 119.800 0.021 0.000 7.202 4272 Q HA -0.054 4.285 4.340 -0.001 0.000 0.338 4272 Q C -0.013 175.993 176.000 0.009 0.000 0.933 4272 Q CA -0.159 55.644 55.803 0.001 0.000 0.563 4272 Q CB -0.381 28.353 28.738 -0.008 0.000 0.472 4272 Q HN 0.403 nan 8.270 nan 0.000 0.823 4273 Q N 0.959 120.769 119.800 0.017 0.000 2.665 4273 Q HA 0.785 5.125 4.340 -0.001 0.000 0.176 4273 Q C -0.581 175.435 176.000 0.026 0.000 1.025 4273 Q CA 0.024 55.838 55.803 0.018 0.000 0.953 4273 Q CB 1.407 30.154 28.738 0.015 0.000 2.143 4273 Q HN 0.360 nan 8.270 nan 0.000 0.464 4274 A N 0.609 123.443 122.820 0.024 0.000 2.320 4274 A HA 0.414 4.734 4.320 -0.001 0.000 0.287 4274 A C -0.634 176.967 177.584 0.029 0.000 1.181 4274 A CA -0.266 51.787 52.037 0.026 0.000 0.831 4274 A CB 0.335 19.349 19.000 0.023 0.000 1.102 4274 A HN 0.317 nan 8.150 nan 0.000 0.513 4275 V N 5.358 125.291 119.914 0.031 0.000 2.320 4275 V HA 0.091 4.211 4.120 -0.001 0.000 0.257 4275 V C 1.216 177.328 176.094 0.031 0.000 0.996 4275 V CA -0.354 61.965 62.300 0.032 0.000 0.928 4275 V CB 0.452 32.294 31.823 0.031 0.000 1.169 4275 V HN 1.110 nan 8.190 nan 0.000 0.475 4276 K N 1.452 121.872 120.400 0.035 0.000 2.365 4276 K HA -0.000 4.319 4.320 -0.001 0.000 0.199 4276 K C 0.378 177.002 176.600 0.040 0.000 1.045 4276 K CA 0.920 57.227 56.287 0.033 0.000 0.962 4276 K CB 0.102 32.624 32.500 0.038 0.000 0.759 4276 K HN 0.696 nan 8.250 nan 0.000 0.469 4277 N N -1.069 117.663 118.700 0.052 0.000 2.961 4277 N HA 0.154 4.893 4.740 -0.001 0.000 0.245 4277 N C 0.215 175.760 175.510 0.058 0.000 1.404 4277 N CA -0.830 52.259 53.050 0.064 0.000 0.880 4277 N CB 0.171 38.732 38.487 0.123 0.000 1.461 4277 N HN -0.124 nan 8.380 nan 0.000 0.510 4278 I N -0.231 120.373 120.570 0.056 0.000 2.423 4278 I HA -0.205 3.964 4.170 -0.001 0.000 0.254 4278 I C 2.202 178.345 176.117 0.043 0.000 1.151 4278 I CA 1.645 62.971 61.300 0.043 0.000 1.421 4278 I CB -0.573 37.450 38.000 0.037 0.000 1.079 4278 I HN 0.754 nan 8.210 nan 0.000 0.431 4279 A N 0.729 123.582 122.820 0.054 0.000 1.855 4279 A HA -0.200 4.119 4.320 -0.001 0.000 0.215 4279 A C 2.281 179.883 177.584 0.029 0.000 1.191 4279 A CA 1.551 53.607 52.037 0.032 0.000 0.613 4279 A CB -0.507 18.499 19.000 0.009 0.000 0.829 4279 A HN 0.397 nan 8.150 nan 0.000 0.442 4280 E N -0.389 119.833 120.200 0.036 0.000 2.017 4280 E HA -0.166 4.183 4.350 -0.001 0.000 0.193 4280 E C 2.081 178.699 176.600 0.029 0.000 0.997 4280 E CA 1.029 57.448 56.400 0.031 0.000 0.804 4280 E CB -0.312 29.410 29.700 0.036 0.000 0.757 4280 E HN 0.489 nan 8.360 nan 0.000 0.448 4281 L N 1.604 122.846 121.223 0.032 0.000 1.978 4281 L HA -0.274 4.065 4.340 -0.001 0.000 0.218 4281 L C 2.398 179.284 176.870 0.027 0.000 1.075 4281 L CA 2.020 56.877 54.840 0.028 0.000 0.767 4281 L CB -0.642 41.434 42.059 0.027 0.000 0.890 4281 L HN 0.099 nan 8.230 nan 0.000 0.434 4282 R N 0.034 120.550 120.500 0.027 0.000 2.193 4282 R HA -0.226 4.113 4.340 -0.001 0.000 0.229 4282 R C 2.273 178.589 176.300 0.028 0.000 1.110 4282 R CA 1.581 57.697 56.100 0.027 0.000 0.988 4282 R CB -0.078 30.239 30.300 0.028 0.000 0.871 4282 R HN 0.363 nan 8.270 nan 0.000 0.458 4283 K N -0.572 119.844 120.400 0.027 0.000 2.288 4283 K HA -0.031 4.288 4.320 -0.001 0.000 0.201 4283 K C 1.326 177.939 176.600 0.021 0.000 1.048 4283 K CA 0.966 57.267 56.287 0.024 0.000 0.956 4283 K CB 0.392 32.904 32.500 0.021 0.000 0.746 4283 K HN 0.050 nan 8.250 nan 0.000 0.461 4284 V N 0.491 120.418 119.914 0.022 0.000 2.795 4284 V HA -0.002 4.117 4.120 -0.001 0.000 0.243 4284 V C 1.564 177.671 176.094 0.021 0.000 1.069 4284 V CA 0.629 62.942 62.300 0.020 0.000 1.089 4284 V CB -0.134 31.701 31.823 0.021 0.000 0.756 4284 V HN 0.216 nan 8.190 nan 0.000 0.471 4285 L N 0.952 122.189 121.223 0.024 0.000 2.737 4285 L HA 0.043 4.382 4.340 -0.001 0.000 0.246 4285 L C 1.472 178.357 176.870 0.026 0.000 1.153 4285 L CA 1.088 55.944 54.840 0.026 0.000 0.920 4285 L CB -0.500 41.575 42.059 0.027 0.000 1.090 4285 L HN 0.443 nan 8.230 nan 0.000 0.430 4286 D N -1.430 118.985 120.400 0.024 0.000 2.415 4286 D HA -0.074 4.565 4.640 -0.001 0.000 0.269 4286 D C 2.011 178.322 176.300 0.018 0.000 1.099 4286 D CA 0.862 54.876 54.000 0.023 0.000 0.865 4286 D CB 0.417 41.231 40.800 0.025 0.000 1.359 4286 D HN 0.092 nan 8.370 nan 0.000 0.506 4287 S N 0.025 115.735 115.700 0.016 0.000 2.387 4287 S HA -0.036 4.433 4.470 -0.001 0.000 0.221 4287 S C 0.996 175.604 174.600 0.012 0.000 1.041 4287 S CA 0.200 58.407 58.200 0.012 0.000 0.959 4287 S CB -0.471 62.736 63.200 0.011 0.000 0.843 4287 S HN 0.276 nan 8.310 nan 0.000 0.488 4288 K N 1.539 121.947 120.400 0.014 0.000 2.602 4288 K HA 0.509 4.828 4.320 -0.001 0.000 0.201 4288 K C -2.844 173.766 176.600 0.016 0.000 1.070 4288 K CA -1.660 54.635 56.287 0.013 0.000 1.026 4288 K CB 1.108 33.614 32.500 0.011 0.000 1.534 4288 K HN 0.071 nan 8.250 nan 0.000 0.560 4289 P HA -0.088 nan 4.420 nan 0.000 0.252 4289 P C 0.448 177.759 177.300 0.018 0.000 1.265 4289 P CA 0.372 63.484 63.100 0.020 0.000 0.775 4289 P CB 0.346 32.059 31.700 0.021 0.000 1.128 4290 S N -1.738 113.972 115.700 0.015 0.000 2.288 4290 S HA 0.034 4.503 4.470 -0.001 0.000 0.191 4290 S C 0.771 175.379 174.600 0.015 0.000 1.028 4290 S CA 0.372 58.580 58.200 0.013 0.000 1.030 4290 S CB -0.867 62.339 63.200 0.010 0.000 0.932 4290 S HN -0.110 nan 8.310 nan 0.000 0.463 4291 V N 2.676 122.597 119.914 0.013 0.000 2.427 4291 V HA 0.667 4.786 4.120 -0.001 0.000 0.286 4291 V C -0.768 175.336 176.094 0.017 0.000 1.034 4291 V CA -0.613 61.695 62.300 0.014 0.000 0.893 4291 V CB 1.011 32.839 31.823 0.008 0.000 0.982 4291 V HN 0.568 nan 8.190 nan 0.000 0.452 4292 L N 5.143 126.380 121.223 0.023 0.000 2.404 4292 L HA 0.880 5.219 4.340 -0.001 0.000 0.272 4292 L C -0.185 176.707 176.870 0.037 0.000 0.980 4292 L CA -0.341 54.517 54.840 0.029 0.000 0.836 4292 L CB 1.506 43.583 42.059 0.031 0.000 1.238 4292 L HN 0.706 nan 8.230 nan 0.000 0.408 4293 A N 5.989 128.835 122.820 0.044 0.000 2.363 4293 A HA 0.619 4.938 4.320 -0.001 0.000 0.296 4293 A C -1.258 176.383 177.584 0.095 0.000 1.237 4293 A CA -0.517 51.562 52.037 0.071 0.000 0.773 4293 A CB 0.526 19.560 19.000 0.057 0.000 1.153 4293 A HN 0.516 nan 8.150 nan 0.000 0.473 4294 L N 2.812 124.091 121.223 0.094 0.000 2.433 4294 L HA 0.117 4.456 4.340 -0.001 0.000 0.284 4294 L C -0.114 176.835 176.870 0.131 0.000 1.120 4294 L CA 0.077 54.969 54.840 0.087 0.000 0.879 4294 L CB -0.807 41.282 42.059 0.050 0.000 1.232 4294 L HN 0.609 nan 8.230 nan 0.000 0.454 4295 N N 4.404 123.209 118.700 0.175 0.000 2.950 4295 N HA 0.084 4.823 4.740 -0.001 0.000 0.313 4295 N C 0.323 175.880 175.510 0.077 0.000 1.213 4295 N CA 0.086 53.292 53.050 0.259 0.000 1.184 4295 N CB -0.412 38.230 38.487 0.258 0.000 1.454 4295 N HN 0.617 nan 8.380 nan 0.000 0.532 4296 I N -1.622 118.941 120.570 -0.012 0.000 2.499 4296 I HA 0.377 4.546 4.170 -0.001 0.000 0.296 4296 I C -0.453 175.602 176.117 -0.103 0.000 0.992 4296 I CA -0.800 60.473 61.300 -0.044 0.000 1.297 4296 I CB 1.337 39.314 38.000 -0.037 0.000 1.410 4296 I HN 0.116 nan 8.210 nan 0.000 0.507 4297 Q N 6.486 126.246 119.800 -0.067 0.000 2.589 4297 Q HA 0.266 4.605 4.340 -0.001 0.000 0.245 4297 Q C -1.066 174.906 176.000 -0.047 0.000 0.931 4297 Q CA -0.672 55.086 55.803 -0.075 0.000 0.730 4297 Q CB 0.898 29.601 28.738 -0.058 0.000 1.315 4297 Q HN 0.981 nan 8.270 nan 0.000 0.469 4298 R N 0.903 121.373 120.500 -0.049 0.000 4.902 4298 R HA 0.431 4.770 4.340 -0.001 0.000 0.201 4298 R C 0.627 176.909 176.300 -0.030 0.000 2.020 4298 R CA 0.565 56.644 56.100 -0.035 0.000 1.674 4298 R CB -0.636 29.644 30.300 -0.034 0.000 1.349 4298 R HN 0.880 nan 8.270 nan 0.000 0.813 4299 G N 0.782 109.565 108.800 -0.027 0.000 3.400 4299 G HA2 -0.301 3.659 3.960 -0.001 0.000 0.209 4299 G HA3 -0.301 3.659 3.960 -0.001 0.000 0.209 4299 G C 0.344 175.230 174.900 -0.023 0.000 1.411 4299 G CA 0.322 45.408 45.100 -0.022 0.000 0.917 4299 G HN 0.474 nan 8.290 nan 0.000 0.570 4300 D N 0.696 121.079 120.400 -0.029 0.000 3.161 4300 D HA 0.193 4.832 4.640 -0.001 0.000 0.287 4300 D C 1.685 177.959 176.300 -0.043 0.000 1.343 4300 D CA 1.006 54.989 54.000 -0.029 0.000 1.070 4300 D CB -0.549 40.237 40.800 -0.023 0.000 1.188 4300 D HN 0.797 nan 8.370 nan 0.000 0.409 4301 S N 1.074 116.744 115.700 -0.051 0.000 2.673 4301 S HA 0.071 4.540 4.470 -0.001 0.000 0.308 4301 S C 0.092 174.623 174.600 -0.115 0.000 1.246 4301 S CA 0.065 58.220 58.200 -0.075 0.000 1.077 4301 S CB 0.175 63.334 63.200 -0.069 0.000 0.814 4301 S HN 0.050 nan 8.310 nan 0.000 0.503 4302 T N 5.468 119.924 114.554 -0.163 0.000 3.331 4302 T HA 0.403 4.752 4.350 -0.001 0.000 0.381 4302 T C 0.466 174.829 174.700 -0.562 0.000 1.656 4302 T CA -0.634 61.300 62.100 -0.276 0.000 1.453 4302 T CB -0.690 68.075 68.868 -0.172 0.000 1.066 4302 T HN 0.734 nan 8.240 nan 0.000 0.655 4303 I N -1.268 118.997 120.570 -0.508 0.000 3.078 4303 I HA 0.670 4.839 4.170 -0.001 0.000 0.318 4303 I C -1.040 174.609 176.117 -0.780 0.000 1.016 4303 I CA -1.378 59.591 61.300 -0.552 0.000 1.130 4303 I CB 1.005 38.874 38.000 -0.218 0.000 1.397 4303 I HN 0.220 nan 8.210 nan 0.000 0.570 4304 Y N 2.934 123.237 120.300 0.005 0.000 2.609 4304 Y HA 0.474 5.023 4.550 -0.001 0.000 0.350 4304 Y C -0.518 175.386 175.900 0.006 0.000 1.050 4304 Y CA -0.831 57.272 58.100 0.005 0.000 1.290 4304 Y CB 0.646 39.109 38.460 0.005 0.000 1.094 4304 Y HN 0.252 nan 8.280 nan 0.000 0.583 4305 L N 2.782 124.060 121.223 0.092 0.000 2.454 4305 L HA 0.472 4.812 4.340 -0.001 0.000 0.256 4305 L C 0.484 177.396 176.870 0.070 0.000 1.136 4305 L CA -0.722 54.156 54.840 0.064 0.000 0.804 4305 L CB 0.796 42.873 42.059 0.029 0.000 1.181 4305 L HN 0.517 nan 8.230 nan 0.000 0.469 4306 L N 0.000 121.254 121.223 0.052 0.000 2.949 4306 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 4306 L CA 0.000 54.867 54.840 0.045 0.000 0.813 4306 L CB 0.000 42.082 42.059 0.038 0.000 0.961 4306 L HN 0.000 nan 8.230 nan 0.000 0.502