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 2ib8_1_C DATA FIRST_RESID 36 DATA SEQUENCE KPTLKEVVIV SATRTPIGSF LGSLSLLPAT KLGSIAIQGA IEKAGIPKEE DATA SEQUENCE VKEAYMGNVL QGGEGQAPTR QAVLGAGLPI STPCTTINKV CASGMKAIMM DATA SEQUENCE ASQSLMCGHQ DVMVAGGMES MSNVPYVMNR GSTPYGGVKL EDLIVKDGLT DATA SEQUENCE DVYNKIHMGS CAENTAKKLN IARNEQDAYA INSYTRSKAA WEAGKFGNEV DATA SEQUENCE IPVTVTVKGQ PDVVVKEDEE YKRVDFSKVP KLKTVFQKEN GTVTAANAST DATA SEQUENCE LNDGAAALVL MTADAAKRLN VTPLARIVAF ADAAVEPIDF PIAPVYAASM DATA SEQUENCE VLKDVGLKKE DIAMWEVNEA FSLVVLANIK MLEIDPQKVN INGGAVSLGH DATA SEQUENCE PIGMSGARIV GHLTHALKQG EYGLASICNG GGGASAMLIQ KL 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 36 K HA 0.000 nan 4.320 nan 0.000 0.191 36 K C 0.000 176.591 176.600 -0.016 0.000 0.988 36 K CA 0.000 56.278 56.287 -0.016 0.000 0.838 36 K CB 0.000 32.488 32.500 -0.020 0.000 1.064 37 P HA 0.019 nan 4.420 nan 0.000 0.266 37 P C -0.954 176.334 177.300 -0.019 0.000 1.193 37 P CA -0.037 63.053 63.100 -0.016 0.000 0.770 37 P CB 0.507 32.196 31.700 -0.018 0.000 0.836 38 T N 0.775 115.319 114.554 -0.017 0.000 2.743 38 T HA 0.633 4.982 4.350 -0.000 0.000 0.292 38 T C -0.229 174.459 174.700 -0.020 0.000 0.972 38 T CA -0.801 61.289 62.100 -0.017 0.000 0.967 38 T CB 0.056 68.916 68.868 -0.013 0.000 0.926 38 T HN 0.168 nan 8.240 nan 0.000 0.459 39 L N 2.387 123.597 121.223 -0.022 0.000 2.333 39 L HA 0.604 4.944 4.340 -0.000 0.000 0.269 39 L C 0.342 177.201 176.870 -0.018 0.000 1.010 39 L CA -1.638 53.188 54.840 -0.024 0.000 0.818 39 L CB 1.485 43.529 42.059 -0.025 0.000 1.306 39 L HN 0.380 nan 8.230 nan 0.000 0.430 40 K N 1.699 122.088 120.400 -0.019 0.000 2.414 40 K HA 0.045 4.365 4.320 -0.000 0.000 0.272 40 K C -0.187 176.411 176.600 -0.003 0.000 0.993 40 K CA 0.144 56.424 56.287 -0.012 0.000 0.964 40 K CB 0.589 33.081 32.500 -0.013 0.000 0.925 40 K HN 0.549 nan 8.250 nan 0.000 0.487 41 E N 1.540 121.739 120.200 -0.002 0.000 2.313 41 E HA 0.181 4.531 4.350 -0.000 0.000 0.276 41 E C -1.019 175.586 176.600 0.010 0.000 1.031 41 E CA -0.571 55.831 56.400 0.003 0.000 0.857 41 E CB 0.867 30.566 29.700 -0.002 0.000 1.040 41 E HN 0.122 nan 8.360 nan 0.000 0.408 42 V N 5.712 125.640 119.914 0.023 0.000 2.417 42 V HA 0.339 4.459 4.120 -0.000 0.000 0.291 42 V C -0.095 176.012 176.094 0.022 0.000 1.024 42 V CA -0.691 61.626 62.300 0.029 0.000 0.861 42 V CB 1.203 33.065 31.823 0.063 0.000 0.985 42 V HN 0.589 nan 8.190 nan 0.000 0.436 43 V N 3.096 123.014 119.914 0.005 0.000 2.864 43 V HA 0.697 4.817 4.120 -0.000 0.000 0.314 43 V C -0.497 175.589 176.094 -0.014 0.000 1.073 43 V CA -0.943 61.353 62.300 -0.006 0.000 0.956 43 V CB 2.050 33.864 31.823 -0.016 0.000 1.023 43 V HN 0.640 nan 8.190 nan 0.000 0.435 44 I N 3.142 123.698 120.570 -0.025 0.000 2.325 44 I HA 0.322 4.492 4.170 -0.000 0.000 0.291 44 I C 0.841 176.929 176.117 -0.047 0.000 1.019 44 I CA -0.181 61.098 61.300 -0.036 0.000 1.302 44 I CB 1.785 39.756 38.000 -0.049 0.000 1.401 44 I HN 0.529 nan 8.210 nan 0.000 0.485 45 V N 3.831 123.723 119.914 -0.036 0.000 3.125 45 V HA 0.076 4.195 4.120 -0.000 0.000 0.249 45 V C 0.643 176.718 176.094 -0.032 0.000 1.113 45 V CA 0.730 63.010 62.300 -0.034 0.000 1.106 45 V CB 0.051 31.862 31.823 -0.020 0.000 0.768 45 V HN 0.864 nan 8.190 nan 0.000 0.468 46 S N -0.717 114.969 115.700 -0.023 0.000 2.570 46 S HA 0.850 5.320 4.470 -0.000 0.000 0.270 46 S C -0.978 173.633 174.600 0.019 0.000 1.149 46 S CA -0.087 58.115 58.200 0.004 0.000 0.837 46 S CB 2.429 65.649 63.200 0.034 0.000 1.124 46 S HN 0.791 nan 8.310 nan 0.000 0.465 47 A N 1.448 124.326 122.820 0.095 0.000 2.466 47 A HA 0.801 5.121 4.320 -0.000 0.000 0.284 47 A C -0.336 177.396 177.584 0.246 0.000 1.049 47 A CA -0.297 51.826 52.037 0.144 0.000 0.760 47 A CB 0.894 19.957 19.000 0.105 0.000 1.274 47 A HN 1.762 nan 8.150 nan 0.000 0.412 48 T N -0.124 114.515 114.554 0.141 0.000 2.906 48 T HA 0.892 5.242 4.350 -0.000 0.000 0.295 48 T C -0.465 174.285 174.700 0.083 0.000 1.061 48 T CA -0.868 61.297 62.100 0.108 0.000 1.000 48 T CB 1.779 70.695 68.868 0.080 0.000 1.103 48 T HN 1.261 nan 8.240 nan 0.000 0.486 49 R N -0.414 120.127 120.500 0.070 0.000 2.774 49 R HA 0.733 5.073 4.340 -0.000 0.000 0.272 49 R C -0.280 176.054 176.300 0.057 0.000 1.000 49 R CA -0.974 55.162 56.100 0.060 0.000 0.906 49 R CB 0.879 31.214 30.300 0.058 0.000 1.227 49 R HN 0.792 nan 8.270 nan 0.000 0.468 50 T N -0.818 113.766 114.554 0.050 0.000 2.766 50 T HA 0.358 4.708 4.350 -0.000 0.000 0.295 50 T C -2.101 172.634 174.700 0.058 0.000 1.024 50 T CA -1.351 60.779 62.100 0.049 0.000 1.018 50 T CB 0.622 69.512 68.868 0.036 0.000 1.002 50 T HN 0.401 nan 8.240 nan 0.000 0.532 51 P HA 0.326 nan 4.420 nan 0.000 0.272 51 P C -0.490 176.831 177.300 0.035 0.000 1.230 51 P CA -0.469 62.667 63.100 0.061 0.000 0.788 51 P CB 0.246 31.959 31.700 0.022 0.000 0.949 52 I N 0.882 121.472 120.570 0.033 0.000 2.325 52 I HA 0.355 4.525 4.170 -0.000 0.000 0.291 52 I C 1.152 177.281 176.117 0.021 0.000 1.019 52 I CA 0.022 61.341 61.300 0.031 0.000 1.302 52 I CB 0.760 38.783 38.000 0.039 0.000 1.401 52 I HN 0.311 nan 8.210 nan 0.000 0.485 53 G N 3.954 112.768 108.800 0.023 0.000 2.389 53 G HA2 0.440 4.399 3.960 -0.000 0.000 0.317 53 G HA3 0.440 4.399 3.960 -0.000 0.000 0.317 53 G C -0.417 174.509 174.900 0.044 0.000 1.137 53 G CA -0.333 44.776 45.100 0.017 0.000 0.870 53 G HN 0.552 nan 8.290 nan 0.000 0.496 54 S N -0.137 115.588 115.700 0.042 0.000 2.603 54 S HA 0.262 4.732 4.470 -0.000 0.000 0.268 54 S C -0.100 174.578 174.600 0.130 0.000 1.317 54 S CA -0.399 57.853 58.200 0.087 0.000 1.012 54 S CB 0.717 63.955 63.200 0.064 0.000 0.926 54 S HN 0.433 nan 8.310 nan 0.000 0.539 55 F N 2.858 122.812 119.950 0.006 0.000 2.590 55 F HA 0.089 4.616 4.527 -0.000 0.000 0.389 55 F C 1.033 176.834 175.800 0.002 0.000 1.049 55 F CA -0.144 57.859 58.000 0.004 0.000 1.199 55 F CB -0.787 38.221 39.000 0.014 0.000 1.058 55 F HN 0.509 nan 8.300 nan 0.000 0.556 56 L N 4.456 125.402 121.223 -0.461 0.000 4.001 56 L HA -0.299 4.041 4.340 -0.000 0.000 0.413 56 L C 0.967 177.738 176.870 -0.164 0.000 1.185 56 L CA 0.482 55.089 54.840 -0.387 0.000 0.963 56 L CB -2.320 39.444 42.059 -0.493 0.000 1.976 56 L HN 0.829 nan 8.230 nan 0.000 0.939 57 G N -0.277 108.469 108.800 -0.091 0.000 2.945 57 G HA2 0.381 4.341 3.960 -0.000 0.000 0.156 57 G HA3 0.381 4.341 3.960 -0.000 0.000 0.156 57 G C 1.029 175.901 174.900 -0.046 0.000 1.375 57 G CA 0.445 45.517 45.100 -0.048 0.000 1.039 57 G HN 0.288 nan 8.290 nan 0.000 0.586 58 S N -0.702 114.976 115.700 -0.036 0.000 2.419 58 S HA 0.014 4.484 4.470 -0.000 0.000 0.233 58 S C 1.784 176.365 174.600 -0.031 0.000 1.016 58 S CA 0.955 59.133 58.200 -0.037 0.000 0.974 58 S CB -0.215 62.960 63.200 -0.042 0.000 0.786 58 S HN 0.259 nan 8.310 nan 0.000 0.492 59 L N 1.936 123.144 121.223 -0.024 0.000 2.857 59 L HA 0.278 4.618 4.340 -0.000 0.000 0.249 59 L C 2.074 178.931 176.870 -0.023 0.000 1.172 59 L CA 0.365 55.194 54.840 -0.018 0.000 0.980 59 L CB 0.007 42.063 42.059 -0.006 0.000 1.299 59 L HN 0.415 nan 8.230 nan 0.000 0.535 60 S N -0.246 115.430 115.700 -0.040 0.000 2.474 60 S HA -0.083 4.387 4.470 -0.000 0.000 0.235 60 S C 1.656 176.226 174.600 -0.050 0.000 0.997 60 S CA 0.705 58.870 58.200 -0.059 0.000 0.949 60 S CB -0.279 62.858 63.200 -0.106 0.000 0.766 60 S HN 0.470 nan 8.310 nan 0.000 0.517 61 L N 0.464 121.664 121.223 -0.038 0.000 2.478 61 L HA 0.290 4.630 4.340 -0.000 0.000 0.223 61 L C 0.392 177.250 176.870 -0.020 0.000 1.140 61 L CA 0.277 55.099 54.840 -0.030 0.000 0.842 61 L CB -0.233 41.811 42.059 -0.026 0.000 0.953 61 L HN 0.291 nan 8.230 nan 0.000 0.452 62 L N 1.045 122.258 121.223 -0.017 0.000 2.264 62 L HA 0.355 4.695 4.340 -0.000 0.000 0.289 62 L C -2.168 174.698 176.870 -0.007 0.000 1.044 62 L CA -2.046 52.788 54.840 -0.009 0.000 0.807 62 L CB 0.909 42.965 42.059 -0.005 0.000 1.192 62 L HN -0.231 nan 8.230 nan 0.000 0.425 63 P HA 0.024 nan 4.420 nan 0.000 0.269 63 P C 0.427 177.727 177.300 0.000 0.000 1.209 63 P CA -0.065 63.033 63.100 -0.003 0.000 0.776 63 P CB 0.910 32.608 31.700 -0.002 0.000 0.876 64 A N 2.716 125.536 122.820 0.001 0.000 1.927 64 A HA -0.239 4.081 4.320 -0.000 0.000 0.220 64 A C 2.021 179.609 177.584 0.006 0.000 1.185 64 A CA 2.758 54.797 52.037 0.003 0.000 0.639 64 A CB -2.121 16.880 19.000 0.000 0.000 0.820 64 A HN 0.656 nan 8.150 nan 0.000 0.451 65 T N -2.170 112.387 114.554 0.005 0.000 2.833 65 T HA -0.165 4.185 4.350 -0.000 0.000 0.269 65 T C 1.807 176.512 174.700 0.009 0.000 1.054 65 T CA 1.766 63.871 62.100 0.008 0.000 1.135 65 T CB -0.194 68.678 68.868 0.006 0.000 0.869 65 T HN 0.399 nan 8.240 nan 0.000 0.466 66 K N 1.384 121.788 120.400 0.007 0.000 2.057 66 K HA 0.187 4.506 4.320 -0.000 0.000 0.206 66 K C 2.199 178.805 176.600 0.011 0.000 1.050 66 K CA 0.998 57.290 56.287 0.008 0.000 0.935 66 K CB -0.844 31.659 32.500 0.005 0.000 0.715 66 K HN 0.457 nan 8.250 nan 0.000 0.439 67 L N -0.298 120.931 121.223 0.011 0.000 2.042 67 L HA -0.110 4.230 4.340 -0.000 0.000 0.210 67 L C 2.447 179.328 176.870 0.019 0.000 1.076 67 L CA 1.534 56.383 54.840 0.015 0.000 0.749 67 L CB -1.032 41.036 42.059 0.015 0.000 0.893 67 L HN 0.443 nan 8.230 nan 0.000 0.432 68 G N -0.856 107.954 108.800 0.018 0.000 2.440 68 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.218 68 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.218 68 G C 1.752 176.664 174.900 0.020 0.000 1.154 68 G CA 1.032 46.144 45.100 0.020 0.000 0.767 68 G HN 0.347 nan 8.290 nan 0.000 0.552 69 S N 0.371 116.081 115.700 0.017 0.000 2.368 69 S HA -0.035 4.435 4.470 -0.000 0.000 0.225 69 S C 2.288 176.899 174.600 0.018 0.000 1.030 69 S CA 0.875 59.084 58.200 0.016 0.000 0.999 69 S CB -0.200 63.008 63.200 0.013 0.000 0.844 69 S HN 0.386 nan 8.310 nan 0.000 0.459 70 I N 1.615 122.197 120.570 0.019 0.000 2.179 70 I HA -0.225 3.945 4.170 -0.000 0.000 0.242 70 I C 2.648 178.781 176.117 0.027 0.000 1.088 70 I CA 1.211 62.524 61.300 0.022 0.000 1.357 70 I CB -0.430 37.582 38.000 0.021 0.000 1.051 70 I HN 0.262 nan 8.210 nan 0.000 0.409 71 A N 0.763 123.601 122.820 0.029 0.000 1.902 71 A HA -0.149 4.170 4.320 -0.000 0.000 0.217 71 A C 2.306 179.910 177.584 0.033 0.000 1.181 71 A CA 1.436 53.494 52.037 0.035 0.000 0.623 71 A CB -0.786 18.236 19.000 0.037 0.000 0.818 71 A HN 0.376 nan 8.150 nan 0.000 0.443 72 I N -0.866 119.721 120.570 0.027 0.000 2.142 72 I HA -0.303 3.867 4.170 -0.000 0.000 0.240 72 I C 2.826 178.956 176.117 0.021 0.000 1.078 72 I CA 1.840 63.154 61.300 0.023 0.000 1.343 72 I CB -0.397 37.614 38.000 0.019 0.000 1.046 72 I HN 0.500 nan 8.210 nan 0.000 0.405 73 Q N 0.868 120.680 119.800 0.020 0.000 2.096 73 Q HA -0.194 4.145 4.340 -0.000 0.000 0.204 73 Q C 2.227 178.241 176.000 0.023 0.000 0.982 73 Q CA 2.043 57.857 55.803 0.019 0.000 0.850 73 Q CB -0.328 28.421 28.738 0.018 0.000 0.901 73 Q HN 0.578 nan 8.270 nan 0.000 0.422 74 G N 0.093 108.910 108.800 0.028 0.000 2.418 74 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.217 74 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.217 74 G C 1.423 176.346 174.900 0.038 0.000 1.158 74 G CA 0.902 46.022 45.100 0.034 0.000 0.771 74 G HN 0.502 nan 8.290 nan 0.000 0.545 75 A N 0.630 123.473 122.820 0.039 0.000 1.898 75 A HA 0.110 4.430 4.320 -0.000 0.000 0.216 75 A C 2.395 179.996 177.584 0.029 0.000 1.181 75 A CA 1.183 53.244 52.037 0.041 0.000 0.620 75 A CB -0.311 18.713 19.000 0.039 0.000 0.819 75 A HN 0.375 nan 8.150 nan 0.000 0.442 76 I N -0.482 120.101 120.570 0.021 0.000 2.226 76 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 76 I C 2.480 178.607 176.117 0.016 0.000 1.100 76 I CA 1.561 62.870 61.300 0.015 0.000 1.374 76 I CB -0.426 37.580 38.000 0.010 0.000 1.057 76 I HN 0.407 nan 8.210 nan 0.000 0.413 77 E N 0.819 121.031 120.200 0.020 0.000 2.058 77 E HA -0.268 4.082 4.350 -0.000 0.000 0.194 77 E C 2.140 178.754 176.600 0.023 0.000 0.997 77 E CA 1.346 57.758 56.400 0.020 0.000 0.801 77 E CB 0.009 29.723 29.700 0.022 0.000 0.746 77 E HN 0.229 nan 8.360 nan 0.000 0.450 78 K N 0.400 120.819 120.400 0.032 0.000 2.097 78 K HA -0.094 4.226 4.320 -0.000 0.000 0.206 78 K C 1.809 178.427 176.600 0.030 0.000 1.049 78 K CA 1.147 57.458 56.287 0.039 0.000 0.933 78 K CB -0.233 32.303 32.500 0.061 0.000 0.717 78 K HN 0.121 nan 8.250 nan 0.000 0.442 79 A N -0.150 122.683 122.820 0.023 0.000 2.070 79 A HA 0.052 4.371 4.320 -0.000 0.000 0.220 79 A C 1.490 179.079 177.584 0.008 0.000 1.159 79 A CA 1.303 53.347 52.037 0.012 0.000 0.656 79 A CB -0.848 18.156 19.000 0.007 0.000 0.800 79 A HN 0.414 nan 8.150 nan 0.000 0.453 80 G N -0.564 108.242 108.800 0.010 0.000 2.246 80 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.273 80 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.273 80 G C 0.104 175.007 174.900 0.004 0.000 1.055 80 G CA 0.579 45.683 45.100 0.007 0.000 0.851 80 G HN 1.490 nan 8.290 nan 0.000 0.500 81 I N -3.142 117.430 120.570 0.003 0.000 2.797 81 I HA 0.839 5.009 4.170 -0.000 0.000 0.307 81 I C -2.261 173.857 176.117 0.002 0.000 1.033 81 I CA -3.371 57.930 61.300 0.001 0.000 1.071 81 I CB 1.735 39.734 38.000 -0.002 0.000 1.255 81 I HN -0.124 nan 8.210 nan 0.000 0.445 82 P HA 0.228 nan 4.420 nan 0.000 0.271 82 P C -0.188 177.112 177.300 0.000 0.000 1.218 82 P CA -0.372 62.729 63.100 0.001 0.000 0.780 82 P CB 0.738 32.438 31.700 0.000 0.000 0.901 83 K N 1.162 121.563 120.400 0.001 0.000 2.147 83 K HA -0.182 4.138 4.320 -0.000 0.000 0.205 83 K C 1.302 177.901 176.600 -0.002 0.000 1.049 83 K CA 1.472 57.759 56.287 0.001 0.000 0.936 83 K CB -0.053 32.448 32.500 0.003 0.000 0.722 83 K HN 0.460 nan 8.250 nan 0.000 0.446 84 E N 0.661 120.860 120.200 -0.001 0.000 2.338 84 E HA -0.123 4.227 4.350 -0.000 0.000 0.197 84 E C 1.461 178.058 176.600 -0.005 0.000 1.007 84 E CA 0.673 57.072 56.400 -0.002 0.000 0.849 84 E CB 0.074 29.774 29.700 -0.001 0.000 0.774 84 E HN 0.189 nan 8.360 nan 0.000 0.506 85 E N 0.101 120.298 120.200 -0.005 0.000 2.208 85 E HA -0.028 4.321 4.350 -0.000 0.000 0.193 85 E C 0.108 176.700 176.600 -0.013 0.000 0.988 85 E CA 0.219 56.614 56.400 -0.008 0.000 0.828 85 E CB 0.159 29.855 29.700 -0.007 0.000 0.763 85 E HN 0.070 nan 8.360 nan 0.000 0.478 86 V N 3.506 123.411 119.914 -0.014 0.000 2.450 86 V HA -0.058 4.062 4.120 -0.000 0.000 0.281 86 V C 1.383 177.462 176.094 -0.025 0.000 1.019 86 V CA 0.395 62.682 62.300 -0.022 0.000 1.062 86 V CB 0.727 32.538 31.823 -0.020 0.000 0.979 86 V HN 0.027 nan 8.190 nan 0.000 0.477 87 K N 3.377 123.756 120.400 -0.035 0.000 2.211 87 K HA 0.209 4.528 4.320 -0.000 0.000 0.201 87 K C 0.653 177.228 176.600 -0.042 0.000 1.052 87 K CA 0.565 56.833 56.287 -0.032 0.000 0.973 87 K CB 0.569 33.052 32.500 -0.028 0.000 0.766 87 K HN 0.807 nan 8.250 nan 0.000 0.466 88 E N -1.278 118.877 120.200 -0.075 0.000 2.407 88 E HA 0.550 4.900 4.350 -0.000 0.000 0.279 88 E C -1.997 174.514 176.600 -0.149 0.000 1.012 88 E CA -0.639 55.701 56.400 -0.100 0.000 0.800 88 E CB 2.078 31.696 29.700 -0.136 0.000 1.276 88 E HN 0.009 nan 8.360 nan 0.000 0.452 89 A N 2.283 125.039 122.820 -0.106 0.000 2.427 89 A HA 0.655 4.975 4.320 -0.000 0.000 0.298 89 A C -2.058 175.595 177.584 0.116 0.000 1.036 89 A CA -0.520 51.485 52.037 -0.054 0.000 0.701 89 A CB 0.886 19.889 19.000 0.006 0.000 1.250 89 A HN 0.415 nan 8.150 nan 0.000 0.412 90 Y N 2.051 122.349 120.300 -0.004 0.000 2.350 90 Y HA 0.688 5.238 4.550 -0.000 0.000 0.338 90 Y C -0.087 175.807 175.900 -0.010 0.000 0.961 90 Y CA -1.888 56.207 58.100 -0.009 0.000 1.100 90 Y CB 1.947 40.397 38.460 -0.016 0.000 1.179 90 Y HN 0.535 nan 8.280 nan 0.000 0.454 91 M N 2.542 122.224 119.600 0.137 0.000 2.263 91 M HA 0.414 4.894 4.480 -0.000 0.000 0.295 91 M C 0.357 176.676 176.300 0.032 0.000 1.028 91 M CA -0.766 54.576 55.300 0.070 0.000 0.921 91 M CB 1.935 34.566 32.600 0.051 0.000 1.601 91 M HN 0.776 nan 8.290 nan 0.000 0.440 92 G N 2.290 111.104 108.800 0.022 0.000 2.442 92 G HA2 0.343 4.303 3.960 -0.000 0.000 0.249 92 G HA3 0.343 4.303 3.960 -0.000 0.000 0.249 92 G C -0.282 174.616 174.900 -0.003 0.000 1.263 92 G CA -0.240 44.861 45.100 0.001 0.000 0.846 92 G HN 0.880 nan 8.290 nan 0.000 0.555 93 N N 1.592 120.282 118.700 -0.017 0.000 3.127 93 N HA 0.026 4.765 4.740 -0.000 0.000 0.239 93 N C 0.242 175.732 175.510 -0.033 0.000 1.200 93 N CA -0.676 52.361 53.050 -0.021 0.000 0.924 93 N CB 1.349 39.829 38.487 -0.012 0.000 1.583 93 N HN 0.141 nan 8.380 nan 0.000 0.645 94 V N 2.988 122.875 119.914 -0.046 0.000 2.599 94 V HA 0.109 4.229 4.120 -0.000 0.000 0.245 94 V C 0.837 176.898 176.094 -0.055 0.000 1.046 94 V CA 0.916 63.182 62.300 -0.057 0.000 1.065 94 V CB -0.050 31.725 31.823 -0.080 0.000 0.703 94 V HN 0.586 nan 8.190 nan 0.000 0.464 95 L N 0.786 121.977 121.223 -0.053 0.000 2.426 95 L HA 0.362 4.702 4.340 -0.000 0.000 0.255 95 L C 0.770 177.618 176.870 -0.037 0.000 1.080 95 L CA 0.090 54.900 54.840 -0.050 0.000 0.960 95 L CB 0.919 42.942 42.059 -0.059 0.000 1.326 95 L HN 0.191 nan 8.230 nan 0.000 0.441 96 Q N 1.132 120.913 119.800 -0.032 0.000 2.392 96 Q HA 0.132 4.471 4.340 -0.000 0.000 0.203 96 Q C 1.268 177.257 176.000 -0.019 0.000 0.917 96 Q CA -0.114 55.675 55.803 -0.023 0.000 0.939 96 Q CB 0.680 29.405 28.738 -0.021 0.000 1.063 96 Q HN 0.721 nan 8.270 nan 0.000 0.516 97 G N 0.035 108.821 108.800 -0.022 0.000 2.313 97 G HA2 0.313 4.273 3.960 -0.000 0.000 0.250 97 G HA3 0.313 4.273 3.960 -0.000 0.000 0.250 97 G C 0.839 175.731 174.900 -0.013 0.000 1.281 97 G CA 0.281 45.371 45.100 -0.017 0.000 0.917 97 G HN 0.329 nan 8.290 nan 0.000 0.501 98 G N 1.855 110.651 108.800 -0.006 0.000 2.159 98 G HA2 -0.263 3.696 3.960 -0.000 0.000 0.256 98 G HA3 -0.263 3.696 3.960 -0.000 0.000 0.256 98 G C 0.815 175.713 174.900 -0.003 0.000 0.977 98 G CA 0.617 45.715 45.100 -0.002 0.000 0.652 98 G HN 0.688 nan 8.290 nan 0.000 0.531 99 E N 0.127 120.324 120.200 -0.005 0.000 2.442 99 E HA 0.397 4.747 4.350 -0.000 0.000 0.195 99 E C 1.532 178.131 176.600 -0.001 0.000 1.030 99 E CA 0.455 56.852 56.400 -0.004 0.000 0.869 99 E CB 0.203 29.900 29.700 -0.006 0.000 0.857 99 E HN 1.547 nan 8.360 nan 0.000 0.505 100 G N 1.592 110.391 108.800 -0.001 0.000 2.655 100 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.680 100 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.680 100 G C -0.743 174.158 174.900 0.001 0.000 1.302 100 G CA -0.740 44.360 45.100 0.001 0.000 0.872 100 G HN 0.161 nan 8.290 nan 0.000 0.540 101 Q N 0.093 119.895 119.800 0.002 0.000 2.337 101 Q HA 0.477 4.817 4.340 -0.000 0.000 0.270 101 Q C 0.986 176.988 176.000 0.003 0.000 1.002 101 Q CA 0.801 56.605 55.803 0.002 0.000 0.888 101 Q CB 0.420 29.160 28.738 0.003 0.000 1.222 101 Q HN 2.470 nan 8.270 nan 0.000 0.400 102 A N 4.737 127.559 122.820 0.003 0.000 2.183 102 A HA -0.134 4.186 4.320 -0.000 0.000 0.278 102 A C -1.977 175.611 177.584 0.008 0.000 1.404 102 A CA 0.120 52.160 52.037 0.006 0.000 0.737 102 A CB -1.259 17.747 19.000 0.009 0.000 1.172 102 A HN 0.799 nan 8.150 nan 0.000 0.338 103 P HA -0.193 nan 4.420 nan 0.000 0.216 103 P C 1.816 179.124 177.300 0.014 0.000 1.157 103 P CA 2.190 65.294 63.100 0.007 0.000 0.880 103 P CB -0.031 31.670 31.700 0.002 0.000 0.791 104 T N -0.934 113.632 114.554 0.020 0.000 2.746 104 T HA -0.171 4.179 4.350 -0.000 0.000 0.267 104 T C 1.888 176.605 174.700 0.029 0.000 1.039 104 T CA 1.467 63.586 62.100 0.031 0.000 1.142 104 T CB -0.517 68.381 68.868 0.050 0.000 0.866 104 T HN 0.021 nan 8.240 nan 0.000 0.444 105 R N 1.366 121.881 120.500 0.026 0.000 2.091 105 R HA -0.075 4.265 4.340 -0.000 0.000 0.238 105 R C 2.434 178.744 176.300 0.016 0.000 1.136 105 R CA 1.618 57.731 56.100 0.022 0.000 0.959 105 R CB -0.429 29.882 30.300 0.019 0.000 0.856 105 R HN 0.496 nan 8.270 nan 0.000 0.437 106 Q N -0.907 118.902 119.800 0.014 0.000 2.084 106 Q HA -0.096 4.244 4.340 -0.000 0.000 0.202 106 Q C 2.103 178.110 176.000 0.012 0.000 0.978 106 Q CA 1.600 57.409 55.803 0.011 0.000 0.844 106 Q CB -0.175 28.568 28.738 0.009 0.000 0.898 106 Q HN 0.475 nan 8.270 nan 0.000 0.426 107 A N 0.286 123.115 122.820 0.015 0.000 1.898 107 A HA -0.109 4.210 4.320 -0.000 0.000 0.216 107 A C 2.321 179.914 177.584 0.016 0.000 1.181 107 A CA 1.148 53.194 52.037 0.016 0.000 0.620 107 A CB -0.574 18.437 19.000 0.019 0.000 0.819 107 A HN 0.191 nan 8.150 nan 0.000 0.442 108 V N 0.206 120.130 119.914 0.017 0.000 2.270 108 V HA -0.218 3.902 4.120 -0.000 0.000 0.245 108 V C 2.552 178.653 176.094 0.012 0.000 1.043 108 V CA 1.898 64.207 62.300 0.015 0.000 1.014 108 V CB -0.730 31.104 31.823 0.017 0.000 0.645 108 V HN 0.566 nan 8.190 nan 0.000 0.447 109 L N 0.406 121.636 121.223 0.012 0.000 2.131 109 L HA -0.075 4.265 4.340 -0.000 0.000 0.210 109 L C 2.545 179.420 176.870 0.009 0.000 1.092 109 L CA 1.553 56.399 54.840 0.009 0.000 0.759 109 L CB -1.071 40.993 42.059 0.009 0.000 0.903 109 L HN 0.496 nan 8.230 nan 0.000 0.435 110 G N -0.423 108.383 108.800 0.009 0.000 2.443 110 G HA2 -0.126 3.833 3.960 -0.000 0.000 0.219 110 G HA3 -0.126 3.833 3.960 -0.000 0.000 0.219 110 G C 1.574 176.480 174.900 0.010 0.000 1.131 110 G CA 0.625 45.731 45.100 0.009 0.000 0.775 110 G HN 0.450 nan 8.290 nan 0.000 0.547 111 A N -0.222 122.604 122.820 0.011 0.000 2.238 111 A HA 0.467 4.787 4.320 -0.000 0.000 0.208 111 A C 1.966 179.556 177.584 0.009 0.000 1.177 111 A CA 1.219 53.263 52.037 0.011 0.000 0.804 111 A CB -0.462 18.546 19.000 0.012 0.000 0.823 111 A HN 1.518 nan 8.150 nan 0.000 0.482 112 G N -1.486 107.319 108.800 0.008 0.000 2.147 112 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.244 112 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.244 112 G C -0.098 174.805 174.900 0.006 0.000 1.005 112 G CA 0.280 45.384 45.100 0.007 0.000 0.713 112 G HN 0.332 nan 8.290 nan 0.000 0.515 113 L N 0.782 122.009 121.223 0.006 0.000 2.453 113 L HA 0.537 4.877 4.340 -0.000 0.000 0.261 113 L C -1.427 175.445 176.870 0.004 0.000 1.179 113 L CA -1.790 53.052 54.840 0.004 0.000 0.813 113 L CB 0.117 42.178 42.059 0.004 0.000 1.110 113 L HN -0.075 nan 8.230 nan 0.000 0.466 114 P HA 0.042 nan 4.420 nan 0.000 0.269 114 P C 0.940 178.243 177.300 0.004 0.000 1.209 114 P CA -0.317 62.785 63.100 0.003 0.000 0.776 114 P CB 0.309 32.010 31.700 0.001 0.000 0.876 115 I N 0.366 120.938 120.570 0.004 0.000 3.010 115 I HA -0.131 4.039 4.170 -0.000 0.000 0.271 115 I C 0.919 177.039 176.117 0.006 0.000 1.293 115 I CA 1.704 63.008 61.300 0.005 0.000 1.452 115 I CB -1.951 36.052 38.000 0.005 0.000 1.082 115 I HN 0.220 nan 8.210 nan 0.000 0.484 116 S N -0.069 115.633 115.700 0.004 0.000 2.631 116 S HA 0.103 4.573 4.470 -0.000 0.000 0.217 116 S C 0.729 175.331 174.600 0.004 0.000 0.958 116 S CA -0.404 57.798 58.200 0.004 0.000 0.920 116 S CB -0.974 62.228 63.200 0.002 0.000 0.776 116 S HN 0.463 nan 8.310 nan 0.000 0.517 117 T N 5.300 119.857 114.554 0.005 0.000 2.723 117 T HA 0.394 4.744 4.350 -0.000 0.000 0.297 117 T C -2.653 172.055 174.700 0.013 0.000 0.925 117 T CA -1.104 60.999 62.100 0.004 0.000 1.030 117 T CB 0.817 69.687 68.868 0.002 0.000 0.905 117 T HN 0.225 nan 8.240 nan 0.000 0.502 118 P HA 0.355 nan 4.420 nan 0.000 0.271 118 P C -0.827 176.508 177.300 0.057 0.000 1.218 118 P CA -0.493 62.629 63.100 0.036 0.000 0.780 118 P CB 0.429 32.154 31.700 0.041 0.000 0.901 119 C N 1.531 120.877 119.300 0.077 0.000 2.609 119 C HA 0.673 5.133 4.460 -0.000 0.000 0.313 119 C C -0.404 174.655 174.990 0.115 0.000 1.175 119 C CA -0.193 58.886 59.018 0.102 0.000 1.434 119 C CB 1.682 29.459 27.740 0.063 0.000 2.005 119 C HN 0.500 nan 8.230 nan 0.000 0.471 120 T N 1.855 116.507 114.554 0.162 0.000 2.916 120 T HA 0.517 4.867 4.350 -0.000 0.000 0.298 120 T C -0.497 174.213 174.700 0.017 0.000 1.031 120 T CA -0.309 61.821 62.100 0.049 0.000 0.993 120 T CB 1.734 70.561 68.868 -0.069 0.000 1.045 120 T HN 0.639 nan 8.240 nan 0.000 0.454 121 T N 3.975 118.518 114.554 -0.020 0.000 2.795 121 T HA 0.549 4.899 4.350 -0.000 0.000 0.282 121 T C -0.174 174.490 174.700 -0.060 0.000 0.980 121 T CA -0.686 61.401 62.100 -0.022 0.000 1.012 121 T CB 0.410 69.271 68.868 -0.011 0.000 0.936 121 T HN 0.310 nan 8.240 nan 0.000 0.457 122 I N 3.710 124.244 120.570 -0.060 0.000 2.441 122 I HA 0.435 4.605 4.170 -0.000 0.000 0.295 122 I C 0.054 176.139 176.117 -0.053 0.000 0.994 122 I CA -1.012 60.238 61.300 -0.082 0.000 1.144 122 I CB 1.589 39.533 38.000 -0.094 0.000 1.314 122 I HN 0.554 nan 8.210 nan 0.000 0.445 123 N N 5.357 124.026 118.700 -0.052 0.000 2.617 123 N HA 0.203 4.943 4.740 -0.000 0.000 0.263 123 N C -0.548 174.941 175.510 -0.035 0.000 1.074 123 N CA -0.246 52.779 53.050 -0.041 0.000 0.841 123 N CB 1.032 39.496 38.487 -0.039 0.000 1.221 123 N HN 0.575 nan 8.380 nan 0.000 0.529 124 K N 4.089 124.472 120.400 -0.029 0.000 3.010 124 K HA 0.228 4.548 4.320 -0.000 0.000 0.211 124 K C 0.147 176.735 176.600 -0.020 0.000 1.146 124 K CA -0.408 55.868 56.287 -0.018 0.000 1.070 124 K CB -0.133 32.362 32.500 -0.009 0.000 0.908 124 K HN 0.328 nan 8.250 nan 0.000 0.463 125 V N -1.355 118.537 119.914 -0.036 0.000 0.690 125 V HA -0.577 3.542 4.120 -0.000 0.000 0.092 125 V C 1.704 177.771 176.094 -0.046 0.000 0.781 125 V CA 1.717 63.984 62.300 -0.056 0.000 3.099 125 V CB -1.779 30.000 31.823 -0.073 0.000 0.189 125 V HN 0.623 nan 8.190 nan 0.000 0.087 126 C N 1.063 120.337 119.300 -0.043 0.000 2.410 126 C HA 0.200 4.660 4.460 -0.000 0.000 0.281 126 C C 2.701 177.725 174.990 0.057 0.000 1.318 126 C CA 0.906 59.934 59.018 0.017 0.000 1.776 126 C CB -2.055 25.721 27.740 0.060 0.000 1.942 126 C HN 1.163 nan 8.230 nan 0.000 0.508 127 A N 0.821 123.660 122.820 0.032 0.000 2.238 127 A HA 0.064 4.384 4.320 -0.000 0.000 0.208 127 A C 2.126 179.722 177.584 0.020 0.000 1.177 127 A CA 1.091 53.151 52.037 0.037 0.000 0.804 127 A CB -0.491 18.531 19.000 0.037 0.000 0.823 127 A HN 0.518 nan 8.150 nan 0.000 0.482 128 S N 0.197 115.901 115.700 0.007 0.000 2.372 128 S HA -0.185 4.285 4.470 -0.000 0.000 0.227 128 S C 2.061 176.662 174.600 0.002 0.000 1.044 128 S CA 1.565 59.762 58.200 -0.005 0.000 1.050 128 S CB -0.602 62.589 63.200 -0.015 0.000 0.901 128 S HN 0.774 nan 8.310 nan 0.000 0.447 129 G N 0.657 109.468 108.800 0.017 0.000 2.432 129 G HA2 -0.172 3.787 3.960 -0.000 0.000 0.219 129 G HA3 -0.172 3.787 3.960 -0.000 0.000 0.219 129 G C 1.351 176.261 174.900 0.017 0.000 1.135 129 G CA 0.810 45.925 45.100 0.024 0.000 0.767 129 G HN 0.443 nan 8.290 nan 0.000 0.550 130 M N -0.451 119.157 119.600 0.014 0.000 2.193 130 M HA 0.151 4.631 4.480 -0.000 0.000 0.265 130 M C 2.472 178.746 176.300 -0.044 0.000 1.071 130 M CA 1.348 56.646 55.300 -0.004 0.000 1.140 130 M CB 0.080 32.690 32.600 0.017 0.000 1.369 130 M HN 0.142 nan 8.290 nan 0.000 0.423 131 K N 0.960 121.340 120.400 -0.034 0.000 2.147 131 K HA -0.030 4.290 4.320 -0.000 0.000 0.205 131 K C 1.655 178.216 176.600 -0.065 0.000 1.049 131 K CA 1.732 57.983 56.287 -0.060 0.000 0.936 131 K CB -0.605 31.873 32.500 -0.037 0.000 0.722 131 K HN 0.405 nan 8.250 nan 0.000 0.446 132 A N 0.742 123.548 122.820 -0.024 0.000 1.883 132 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 132 A C 2.245 179.866 177.584 0.061 0.000 1.186 132 A CA 1.900 53.962 52.037 0.042 0.000 0.624 132 A CB -0.722 18.315 19.000 0.062 0.000 0.822 132 A HN 0.339 nan 8.150 nan 0.000 0.444 133 I N -0.947 119.613 120.570 -0.018 0.000 2.226 133 I HA -0.323 3.847 4.170 -0.000 0.000 0.245 133 I C 2.736 178.736 176.117 -0.195 0.000 1.100 133 I CA 1.714 62.974 61.300 -0.067 0.000 1.374 133 I CB -0.377 37.587 38.000 -0.061 0.000 1.057 133 I HN 0.339 nan 8.210 nan 0.000 0.413 134 M N -0.332 119.057 119.600 -0.351 0.000 2.086 134 M HA -0.237 4.243 4.480 -0.000 0.000 0.261 134 M C 2.420 178.450 176.300 -0.449 0.000 1.067 134 M CA 2.042 56.858 55.300 -0.807 0.000 1.116 134 M CB -0.329 31.814 32.600 -0.761 0.000 1.348 134 M HN 0.192 nan 8.290 nan 0.000 0.407 135 M N -0.564 118.954 119.600 -0.137 0.000 2.175 135 M HA -0.094 4.386 4.480 -0.000 0.000 0.264 135 M C 2.450 178.896 176.300 0.244 0.000 1.063 135 M CA 1.468 56.807 55.300 0.065 0.000 1.119 135 M CB -0.527 32.091 32.600 0.030 0.000 1.377 135 M HN 0.365 nan 8.290 nan 0.000 0.415 136 A N 0.002 122.954 122.820 0.220 0.000 1.877 136 A HA -0.151 4.168 4.320 -0.000 0.000 0.216 136 A C 2.288 179.864 177.584 -0.014 0.000 1.186 136 A CA 2.172 54.208 52.037 -0.001 0.000 0.620 136 A CB -0.892 18.047 19.000 -0.102 0.000 0.822 136 A HN 0.435 nan 8.150 nan 0.000 0.443 137 S N -0.257 115.428 115.700 -0.026 0.000 2.387 137 S HA -0.258 4.212 4.470 -0.000 0.000 0.230 137 S C 2.075 176.744 174.600 0.114 0.000 1.035 137 S CA 1.761 59.986 58.200 0.041 0.000 1.014 137 S CB -0.368 62.873 63.200 0.068 0.000 0.836 137 S HN 0.707 nan 8.310 nan 0.000 0.466 138 Q N 0.399 120.276 119.800 0.128 0.000 2.119 138 Q HA -0.069 4.271 4.340 -0.000 0.000 0.201 138 Q C 2.483 178.527 176.000 0.073 0.000 0.972 138 Q CA 1.409 57.303 55.803 0.152 0.000 0.847 138 Q CB -0.249 28.591 28.738 0.170 0.000 0.903 138 Q HN 0.522 nan 8.270 nan 0.000 0.433 139 S N 0.171 115.920 115.700 0.081 0.000 2.355 139 S HA -0.126 4.343 4.470 -0.000 0.000 0.222 139 S C 1.832 176.426 174.600 -0.011 0.000 1.031 139 S CA 0.728 58.966 58.200 0.063 0.000 0.993 139 S CB -0.054 63.200 63.200 0.091 0.000 0.859 139 S HN 0.199 nan 8.310 nan 0.000 0.453 140 L N 1.450 122.669 121.223 -0.006 0.000 2.042 140 L HA 0.016 4.356 4.340 -0.000 0.000 0.210 140 L C 2.613 179.468 176.870 -0.025 0.000 1.076 140 L CA 1.843 56.675 54.840 -0.014 0.000 0.749 140 L CB -0.769 41.286 42.059 -0.006 0.000 0.893 140 L HN 0.407 nan 8.230 nan 0.000 0.432 141 M N -2.279 117.315 119.600 -0.010 0.000 2.159 141 M HA -0.261 4.219 4.480 -0.000 0.000 0.263 141 M C 2.272 178.522 176.300 -0.083 0.000 1.063 141 M CA 1.398 56.686 55.300 -0.020 0.000 1.110 141 M CB -0.603 32.009 32.600 0.020 0.000 1.374 141 M HN 0.280 nan 8.290 nan 0.000 0.411 142 C N 0.318 119.511 119.300 -0.177 0.000 2.472 142 C HA 0.109 4.568 4.460 -0.000 0.000 0.278 142 C C 1.800 176.586 174.990 -0.340 0.000 1.447 142 C CA 0.716 59.510 59.018 -0.373 0.000 1.773 142 C CB -1.644 25.597 27.740 -0.832 0.000 1.793 142 C HN 0.877 nan 8.230 nan 0.000 0.544 143 G N -0.265 108.435 108.800 -0.166 0.000 2.153 143 G HA2 -0.292 3.667 3.960 -0.000 0.000 0.252 143 G HA3 -0.292 3.667 3.960 -0.000 0.000 0.252 143 G C 0.330 175.267 174.900 0.062 0.000 0.994 143 G CA 0.750 45.825 45.100 -0.041 0.000 0.698 143 G HN 0.744 nan 8.290 nan 0.000 0.521 144 H N -0.783 118.294 119.070 0.012 0.000 2.470 144 H HA 0.153 4.708 4.556 -0.000 0.000 0.289 144 H C 1.224 176.550 175.328 -0.003 0.000 1.033 144 H CA 1.074 57.129 56.048 0.010 0.000 1.331 144 H CB 0.285 30.060 29.762 0.022 0.000 1.414 144 H HN 0.388 nan 8.280 nan 0.000 0.545 145 Q N 0.150 120.008 119.800 0.096 0.000 2.456 145 Q HA 0.051 4.391 4.340 -0.000 0.000 0.284 145 Q C -0.325 175.680 176.000 0.008 0.000 1.061 145 Q CA -0.311 55.510 55.803 0.031 0.000 0.799 145 Q CB 2.107 30.839 28.738 -0.010 0.000 1.445 145 Q HN 0.340 nan 8.270 nan 0.000 0.411 146 D N -1.189 119.209 120.400 -0.003 0.000 2.423 146 D HA 0.106 4.745 4.640 -0.000 0.000 0.212 146 D C 0.189 176.478 176.300 -0.019 0.000 1.060 146 D CA 0.333 54.328 54.000 -0.008 0.000 0.872 146 D CB 0.864 41.662 40.800 -0.003 0.000 1.012 146 D HN 0.134 nan 8.370 nan 0.000 0.503 147 V N 1.053 120.951 119.914 -0.028 0.000 2.668 147 V HA 0.469 4.589 4.120 -0.000 0.000 0.304 147 V C -0.555 175.505 176.094 -0.056 0.000 1.071 147 V CA -0.584 61.695 62.300 -0.035 0.000 0.894 147 V CB 1.940 33.748 31.823 -0.025 0.000 1.008 147 V HN 0.073 nan 8.190 nan 0.000 0.425 148 M N 3.549 123.106 119.600 -0.071 0.000 2.619 148 M HA 0.689 5.169 4.480 -0.000 0.000 0.297 148 M C -1.335 174.915 176.300 -0.083 0.000 1.229 148 M CA -0.939 54.295 55.300 -0.110 0.000 0.860 148 M CB 2.789 35.275 32.600 -0.191 0.000 1.741 148 M HN 0.357 nan 8.290 nan 0.000 0.462 149 V N 1.317 121.180 119.914 -0.084 0.000 2.513 149 V HA 0.894 5.014 4.120 -0.000 0.000 0.299 149 V C -0.583 175.483 176.094 -0.046 0.000 1.035 149 V CA -0.490 61.782 62.300 -0.046 0.000 0.889 149 V CB 1.625 33.435 31.823 -0.021 0.000 0.988 149 V HN 0.921 nan 8.190 nan 0.000 0.440 150 A N 3.054 125.865 122.820 -0.014 0.000 2.455 150 A HA 1.012 5.332 4.320 -0.000 0.000 0.300 150 A C -0.062 177.541 177.584 0.031 0.000 1.040 150 A CA 0.185 52.235 52.037 0.021 0.000 0.697 150 A CB 2.030 21.038 19.000 0.012 0.000 1.265 150 A HN 1.354 nan 8.150 nan 0.000 0.407 151 G N -0.278 108.550 108.800 0.047 0.000 2.474 151 G HA2 0.765 4.725 3.960 -0.000 0.000 0.234 151 G HA3 0.765 4.725 3.960 -0.000 0.000 0.234 151 G C -0.281 174.642 174.900 0.040 0.000 1.204 151 G CA 0.378 45.502 45.100 0.040 0.000 0.939 151 G HN 1.953 nan 8.290 nan 0.000 0.491 152 G N -0.644 108.178 108.800 0.036 0.000 2.698 152 G HA2 0.738 4.698 3.960 -0.000 0.000 0.293 152 G HA3 0.738 4.698 3.960 -0.000 0.000 0.293 152 G C -0.804 174.111 174.900 0.025 0.000 1.437 152 G CA -0.046 45.071 45.100 0.028 0.000 0.852 152 G HN 1.437 nan 8.290 nan 0.000 0.499 153 M N -0.290 119.320 119.600 0.016 0.000 2.465 153 M HA 0.902 5.381 4.480 -0.000 0.000 0.284 153 M C -1.805 174.496 176.300 0.001 0.000 1.212 153 M CA -0.958 54.350 55.300 0.012 0.000 0.910 153 M CB 2.777 35.385 32.600 0.014 0.000 1.725 153 M HN 0.468 nan 8.290 nan 0.000 0.477 154 E N 0.755 120.955 120.200 0.000 0.000 2.354 154 E HA 0.491 4.841 4.350 -0.000 0.000 0.283 154 E C -1.924 174.677 176.600 0.003 0.000 0.938 154 E CA -0.177 56.216 56.400 -0.010 0.000 0.777 154 E CB 2.554 32.235 29.700 -0.033 0.000 1.222 154 E HN 0.711 nan 8.360 nan 0.000 0.423 155 S N 4.858 120.561 115.700 0.005 0.000 2.406 155 S HA 0.287 4.757 4.470 -0.000 0.000 0.224 155 S C 0.626 175.249 174.600 0.038 0.000 1.426 155 S CA -0.356 57.855 58.200 0.019 0.000 1.179 155 S CB 0.082 63.286 63.200 0.008 0.000 1.042 155 S HN 0.702 nan 8.310 nan 0.000 0.479 156 M N 1.856 121.502 119.600 0.077 0.000 2.296 156 M HA -0.041 4.439 4.480 -0.000 0.000 0.265 156 M C 2.214 178.683 176.300 0.282 0.000 1.064 156 M CA 0.971 56.352 55.300 0.135 0.000 1.109 156 M CB -0.349 32.310 32.600 0.099 0.000 1.396 156 M HN 0.539 nan 8.290 nan 0.000 0.430 157 S N 0.954 116.773 115.700 0.197 0.000 2.387 157 S HA -0.107 4.363 4.470 -0.000 0.000 0.230 157 S C 1.415 175.986 174.600 -0.047 0.000 1.035 157 S CA 1.181 59.347 58.200 -0.057 0.000 1.014 157 S CB -0.352 62.764 63.200 -0.141 0.000 0.836 157 S HN 0.505 nan 8.310 nan 0.000 0.466 158 N N 0.925 119.622 118.700 -0.005 0.000 2.270 158 N HA 0.139 4.879 4.740 -0.000 0.000 0.198 158 N C -0.426 175.073 175.510 -0.019 0.000 1.117 158 N CA 0.073 53.112 53.050 -0.018 0.000 0.845 158 N CB 0.417 38.894 38.487 -0.017 0.000 0.980 158 N HN 0.161 nan 8.380 nan 0.000 0.486 159 V N 4.448 124.354 119.914 -0.012 0.000 2.529 159 V HA 0.078 4.198 4.120 -0.000 0.000 0.292 159 V C -1.449 174.570 176.094 -0.126 0.000 1.028 159 V CA -0.712 61.556 62.300 -0.053 0.000 1.074 159 V CB 0.614 32.408 31.823 -0.050 0.000 0.958 159 V HN 0.138 nan 8.190 nan 0.000 0.481 160 P HA 0.350 nan 4.420 nan 0.000 0.282 160 P C -1.239 175.921 177.300 -0.235 0.000 1.287 160 P CA -0.541 62.489 63.100 -0.117 0.000 0.792 160 P CB 0.795 32.490 31.700 -0.010 0.000 1.163 161 Y N -1.164 119.149 120.300 0.022 0.000 2.403 161 Y HA 0.425 4.975 4.550 -0.000 0.000 0.323 161 Y C 0.779 176.685 175.900 0.010 0.000 1.226 161 Y CA -0.530 57.581 58.100 0.018 0.000 1.235 161 Y CB 1.206 39.678 38.460 0.019 0.000 1.248 161 Y HN 0.115 nan 8.280 nan 0.000 0.489 162 V N 0.475 120.488 119.914 0.165 0.000 2.769 162 V HA 0.652 4.772 4.120 -0.000 0.000 0.312 162 V C -0.665 175.475 176.094 0.077 0.000 1.061 162 V CA -1.182 61.173 62.300 0.091 0.000 0.931 162 V CB 1.970 33.822 31.823 0.049 0.000 1.010 162 V HN 0.863 nan 8.190 nan 0.000 0.433 163 M N 3.431 123.061 119.600 0.050 0.000 2.321 163 M HA 0.565 5.045 4.480 -0.000 0.000 0.315 163 M C -0.738 175.576 176.300 0.023 0.000 1.052 163 M CA -0.509 54.811 55.300 0.033 0.000 0.936 163 M CB 1.643 34.258 32.600 0.024 0.000 1.639 163 M HN 0.893 nan 8.290 nan 0.000 0.433 164 N N 3.466 122.177 118.700 0.019 0.000 2.374 164 N HA 0.045 4.785 4.740 -0.000 0.000 0.241 164 N C -0.483 175.035 175.510 0.013 0.000 1.262 164 N CA 0.180 53.239 53.050 0.014 0.000 0.880 164 N CB 0.407 38.901 38.487 0.012 0.000 1.105 164 N HN 0.637 nan 8.380 nan 0.000 0.438 165 R N 0.260 120.767 120.500 0.011 0.000 2.543 165 R HA 0.429 4.769 4.340 -0.000 0.000 0.277 165 R C 0.620 176.926 176.300 0.010 0.000 1.074 165 R CA 0.475 56.580 56.100 0.010 0.000 1.076 165 R CB -0.017 30.288 30.300 0.008 0.000 0.993 165 R HN 0.768 nan 8.270 nan 0.000 0.459 166 G N 1.224 110.030 108.800 0.010 0.000 2.280 166 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.277 166 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.277 166 G C -1.284 173.624 174.900 0.013 0.000 1.288 166 G CA -0.283 44.824 45.100 0.011 0.000 1.075 166 G HN 0.787 nan 8.290 nan 0.000 0.480 167 S N -0.382 115.327 115.700 0.015 0.000 2.489 167 S HA 0.643 5.113 4.470 -0.000 0.000 0.291 167 S C 0.454 175.066 174.600 0.021 0.000 1.151 167 S CA 0.658 58.869 58.200 0.018 0.000 1.082 167 S CB 1.249 64.461 63.200 0.021 0.000 1.019 167 S HN 2.070 nan 8.310 nan 0.000 0.492 168 T N 1.417 115.983 114.554 0.020 0.000 2.867 168 T HA 0.338 4.688 4.350 -0.000 0.000 0.297 168 T C -2.172 172.546 174.700 0.031 0.000 0.989 168 T CA -1.053 61.058 62.100 0.017 0.000 1.159 168 T CB -0.652 68.222 68.868 0.010 0.000 0.928 168 T HN 0.607 nan 8.240 nan 0.000 0.538 169 P HA 0.152 nan 4.420 nan 0.000 0.275 169 P C -0.467 176.872 177.300 0.066 0.000 1.228 169 P CA -0.748 62.385 63.100 0.055 0.000 0.786 169 P CB 0.292 32.017 31.700 0.042 0.000 0.927 170 Y N 1.719 122.020 120.300 0.001 0.000 2.810 170 Y HA 0.217 4.767 4.550 -0.000 0.000 0.332 170 Y C 1.655 177.555 175.900 0.000 0.000 1.243 170 Y CA 2.161 60.261 58.100 0.000 0.000 1.537 170 Y CB -0.191 38.269 38.460 0.001 0.000 1.265 170 Y HN 0.859 nan 8.280 nan 0.000 0.572 171 G N 2.099 110.466 108.800 -0.722 0.000 2.213 171 G HA2 0.131 4.091 3.960 -0.000 0.000 0.236 171 G HA3 0.131 4.091 3.960 -0.000 0.000 0.236 171 G C 0.640 175.396 174.900 -0.241 0.000 0.991 171 G CA 0.214 45.009 45.100 -0.510 0.000 0.629 171 G HN 2.164 nan 8.290 nan 0.000 0.517 172 G N -2.307 106.392 108.800 -0.169 0.000 2.409 172 G HA2 0.460 4.420 3.960 -0.000 0.000 0.421 172 G HA3 0.460 4.420 3.960 -0.000 0.000 0.421 172 G C -0.625 174.241 174.900 -0.056 0.000 1.259 172 G CA 0.596 45.636 45.100 -0.101 0.000 1.011 172 G HN 1.884 nan 8.290 nan 0.000 0.497 173 V N -0.360 119.528 119.914 -0.043 0.000 3.098 173 V HA 0.692 4.812 4.120 -0.000 0.000 0.294 173 V C -0.674 175.405 176.094 -0.023 0.000 1.351 173 V CA -0.507 61.778 62.300 -0.024 0.000 0.999 173 V CB 2.015 33.831 31.823 -0.012 0.000 1.104 173 V HN 1.091 nan 8.190 nan 0.000 0.438 174 K N 4.950 125.343 120.400 -0.012 0.000 2.248 174 K HA 0.579 4.898 4.320 -0.000 0.000 0.281 174 K C -0.845 175.758 176.600 0.006 0.000 1.054 174 K CA -0.546 55.736 56.287 -0.009 0.000 0.903 174 K CB 0.805 33.307 32.500 0.004 0.000 1.077 174 K HN 0.636 nan 8.250 nan 0.000 0.474 175 L N 4.287 125.509 121.223 -0.002 0.000 2.319 175 L HA 0.215 4.554 4.340 -0.000 0.000 0.280 175 L C 0.381 177.313 176.870 0.104 0.000 1.099 175 L CA -0.243 54.619 54.840 0.036 0.000 0.828 175 L CB 0.733 42.800 42.059 0.013 0.000 1.150 175 L HN 0.596 nan 8.230 nan 0.000 0.442 176 E N 1.709 121.986 120.200 0.127 0.000 2.349 176 E HA 0.092 4.442 4.350 -0.000 0.000 0.265 176 E C -0.716 176.026 176.600 0.236 0.000 1.064 176 E CA -0.605 55.885 56.400 0.150 0.000 0.886 176 E CB 1.272 31.018 29.700 0.077 0.000 1.036 176 E HN 0.409 nan 8.360 nan 0.000 0.413 177 D N 2.443 122.965 120.400 0.202 0.000 2.295 177 D HA 0.057 4.697 4.640 -0.000 0.000 0.248 177 D C 0.753 177.021 176.300 -0.053 0.000 1.154 177 D CA -0.032 53.984 54.000 0.027 0.000 0.857 177 D CB 1.019 41.859 40.800 0.067 0.000 1.117 177 D HN 0.425 nan 8.370 nan 0.000 0.468 178 L N 4.098 125.251 121.223 -0.118 0.000 2.275 178 L HA -0.108 4.231 4.340 -0.000 0.000 0.215 178 L C 2.239 179.056 176.870 -0.090 0.000 1.119 178 L CA 0.452 55.243 54.840 -0.082 0.000 0.790 178 L CB -0.096 41.916 42.059 -0.079 0.000 0.919 178 L HN 0.552 nan 8.230 nan 0.000 0.443 179 I N -0.978 119.527 120.570 -0.109 0.000 2.179 179 I HA -0.271 3.898 4.170 -0.000 0.000 0.242 179 I C 2.401 178.464 176.117 -0.089 0.000 1.088 179 I CA 1.153 62.392 61.300 -0.103 0.000 1.357 179 I CB -0.316 37.614 38.000 -0.116 0.000 1.051 179 I HN 0.023 nan 8.210 nan 0.000 0.409 180 V N 0.912 120.794 119.914 -0.053 0.000 2.283 180 V HA -0.265 3.855 4.120 -0.000 0.000 0.243 180 V C 2.506 178.568 176.094 -0.052 0.000 1.039 180 V CA 2.011 64.296 62.300 -0.025 0.000 1.016 180 V CB -0.640 31.210 31.823 0.045 0.000 0.650 180 V HN 0.391 nan 8.190 nan 0.000 0.449 181 K N -0.102 120.274 120.400 -0.040 0.000 2.031 181 K HA -0.174 4.146 4.320 -0.000 0.000 0.205 181 K C 1.706 178.262 176.600 -0.072 0.000 1.049 181 K CA 1.941 58.202 56.287 -0.044 0.000 0.939 181 K CB -0.120 32.366 32.500 -0.023 0.000 0.717 181 K HN 0.405 nan 8.250 nan 0.000 0.438 182 D N -1.130 119.225 120.400 -0.075 0.000 2.301 182 D HA 0.034 4.674 4.640 -0.000 0.000 0.206 182 D C 1.633 177.870 176.300 -0.105 0.000 0.979 182 D CA 0.977 54.928 54.000 -0.083 0.000 0.874 182 D CB 0.303 41.062 40.800 -0.069 0.000 0.968 182 D HN 0.435 nan 8.370 nan 0.000 0.510 183 G N -0.114 108.614 108.800 -0.120 0.000 2.490 183 G HA2 0.056 4.016 3.960 -0.000 0.000 0.211 183 G HA3 0.056 4.016 3.960 -0.000 0.000 0.211 183 G C 1.363 176.149 174.900 -0.192 0.000 1.159 183 G CA -0.000 45.011 45.100 -0.147 0.000 0.819 183 G HN 0.201 nan 8.290 nan 0.000 0.539 184 L N 0.639 121.729 121.223 -0.222 0.000 2.817 184 L HA 0.264 4.604 4.340 -0.000 0.000 0.248 184 L C 0.065 176.681 176.870 -0.423 0.000 1.133 184 L CA 0.120 54.736 54.840 -0.374 0.000 0.935 184 L CB 0.988 42.766 42.059 -0.468 0.000 1.266 184 L HN -0.044 nan 8.230 nan 0.000 0.535 185 T N -0.058 114.352 114.554 -0.241 0.000 2.749 185 T HA 0.155 4.505 4.350 -0.000 0.000 0.287 185 T C -0.495 174.124 174.700 -0.135 0.000 0.970 185 T CA -0.378 61.624 62.100 -0.163 0.000 0.980 185 T CB 1.813 70.626 68.868 -0.091 0.000 0.924 185 T HN -0.040 nan 8.240 nan 0.000 0.456 186 D N 2.493 122.839 120.400 -0.089 0.000 2.417 186 D HA 0.085 4.725 4.640 -0.000 0.000 0.250 186 D C 1.266 177.478 176.300 -0.148 0.000 1.166 186 D CA -0.082 53.882 54.000 -0.060 0.000 0.881 186 D CB 0.827 41.661 40.800 0.058 0.000 1.164 186 D HN 0.169 nan 8.370 nan 0.000 0.467 187 V N 4.100 123.801 119.914 -0.356 0.000 2.343 187 V HA -0.286 3.834 4.120 -0.000 0.000 0.247 187 V C 1.311 177.091 176.094 -0.525 0.000 1.051 187 V CA 1.652 63.608 62.300 -0.573 0.000 1.036 187 V CB -0.879 30.398 31.823 -0.909 0.000 0.654 187 V HN 0.683 nan 8.190 nan 0.000 0.451 188 Y N -0.165 120.141 120.300 0.010 0.000 2.314 188 Y HA 0.087 4.636 4.550 -0.000 0.000 0.294 188 Y C 2.316 178.227 175.900 0.017 0.000 1.119 188 Y CA 0.750 58.858 58.100 0.013 0.000 1.179 188 Y CB -0.438 38.031 38.460 0.016 0.000 1.025 188 Y HN 0.245 nan 8.280 nan 0.000 0.541 189 N N 0.305 119.087 118.700 0.136 0.000 2.373 189 N HA -0.038 4.702 4.740 -0.000 0.000 0.181 189 N C -0.087 175.452 175.510 0.048 0.000 1.082 189 N CA 0.327 53.433 53.050 0.092 0.000 0.885 189 N CB 0.212 38.758 38.487 0.099 0.000 0.977 189 N HN 0.167 nan 8.380 nan 0.000 0.462 190 K N 0.958 121.366 120.400 0.013 0.000 3.077 190 K HA -0.174 4.146 4.320 -0.000 0.000 0.264 190 K C -0.128 176.491 176.600 0.031 0.000 1.008 190 K CA 0.684 56.973 56.287 0.003 0.000 0.740 190 K CB -2.111 30.394 32.500 0.008 0.000 1.273 190 K HN 0.518 nan 8.250 nan 0.000 0.477 191 I N -4.461 116.134 120.570 0.042 0.000 3.074 191 I HA 0.419 4.589 4.170 -0.000 0.000 0.310 191 I C 0.590 176.758 176.117 0.086 0.000 1.153 191 I CA -1.286 60.062 61.300 0.080 0.000 0.993 191 I CB 1.866 39.916 38.000 0.082 0.000 1.237 191 I HN -0.029 nan 8.210 nan 0.000 0.443 192 H N 3.423 122.513 119.070 0.033 0.000 2.757 192 H HA 0.200 4.756 4.556 -0.000 0.000 0.370 192 H C 0.707 175.990 175.328 -0.075 0.000 1.172 192 H CA 0.150 56.196 56.048 -0.003 0.000 1.426 192 H CB 1.370 31.168 29.762 0.060 0.000 1.438 192 H HN 0.691 nan 8.280 nan 0.000 0.612 193 M N 2.898 122.427 119.600 -0.118 0.000 2.149 193 M HA -0.127 4.353 4.480 -0.000 0.000 0.261 193 M C 2.316 178.572 176.300 -0.073 0.000 1.064 193 M CA 1.522 56.866 55.300 0.073 0.000 1.102 193 M CB -1.429 31.212 32.600 0.068 0.000 1.369 193 M HN 0.780 nan 8.290 nan 0.000 0.408 194 G N -0.514 108.100 108.800 -0.310 0.000 2.432 194 G HA2 -0.163 3.796 3.960 -0.000 0.000 0.219 194 G HA3 -0.163 3.796 3.960 -0.000 0.000 0.219 194 G C 1.713 176.218 174.900 -0.659 0.000 1.135 194 G CA 1.156 45.505 45.100 -1.251 0.000 0.767 194 G HN 0.489 nan 8.290 nan 0.000 0.550 195 S N -0.360 115.170 115.700 -0.284 0.000 2.387 195 S HA -0.113 4.357 4.470 -0.000 0.000 0.226 195 S C 2.429 176.977 174.600 -0.086 0.000 1.026 195 S CA 0.940 59.104 58.200 -0.060 0.000 0.972 195 S CB -0.365 62.874 63.200 0.065 0.000 0.814 195 S HN 0.527 nan 8.310 nan 0.000 0.477 196 C N 2.076 121.337 119.300 -0.065 0.000 2.413 196 C HA -0.039 4.421 4.460 -0.000 0.000 0.276 196 C C 3.062 177.905 174.990 -0.245 0.000 1.248 196 C CA 0.584 59.566 59.018 -0.060 0.000 1.742 196 C CB -1.537 26.297 27.740 0.157 0.000 2.017 196 C HN 0.675 nan 8.230 nan 0.000 0.481 197 A N 0.550 123.138 122.820 -0.387 0.000 1.933 197 A HA -0.169 4.150 4.320 -0.000 0.000 0.218 197 A C 2.087 179.488 177.584 -0.304 0.000 1.175 197 A CA 1.542 53.280 52.037 -0.499 0.000 0.628 197 A CB -0.462 18.053 19.000 -0.808 0.000 0.814 197 A HN 0.615 nan 8.150 nan 0.000 0.444 198 E N 0.190 120.258 120.200 -0.220 0.000 2.171 198 E HA -0.221 4.128 4.350 -0.000 0.000 0.197 198 E C 1.822 178.361 176.600 -0.102 0.000 0.997 198 E CA 1.043 57.374 56.400 -0.114 0.000 0.810 198 E CB -0.522 29.148 29.700 -0.049 0.000 0.738 198 E HN 0.744 nan 8.360 nan 0.000 0.467 199 N N 0.420 119.050 118.700 -0.116 0.000 2.069 199 N HA -0.129 4.610 4.740 -0.000 0.000 0.191 199 N C 1.621 177.066 175.510 -0.109 0.000 1.031 199 N CA 1.765 54.757 53.050 -0.096 0.000 0.852 199 N CB 0.076 38.508 38.487 -0.092 0.000 1.018 199 N HN 0.063 nan 8.380 nan 0.000 0.423 200 T N 0.848 115.306 114.554 -0.160 0.000 2.821 200 T HA 0.011 4.360 4.350 -0.000 0.000 0.267 200 T C 1.933 176.562 174.700 -0.118 0.000 1.046 200 T CA 1.047 63.055 62.100 -0.153 0.000 1.139 200 T CB -0.310 68.427 68.868 -0.219 0.000 0.871 200 T HN 0.408 nan 8.240 nan 0.000 0.454 201 A N 2.165 124.916 122.820 -0.116 0.000 1.883 201 A HA -0.181 4.138 4.320 -0.000 0.000 0.217 201 A C 2.281 179.830 177.584 -0.059 0.000 1.186 201 A CA 1.528 53.517 52.037 -0.080 0.000 0.624 201 A CB -0.422 18.537 19.000 -0.068 0.000 0.822 201 A HN 0.385 nan 8.150 nan 0.000 0.444 202 K N -0.167 120.199 120.400 -0.055 0.000 1.991 202 K HA -0.184 4.136 4.320 -0.000 0.000 0.212 202 K C 2.097 178.672 176.600 -0.041 0.000 1.049 202 K CA 1.851 58.114 56.287 -0.041 0.000 0.932 202 K CB -0.346 32.133 32.500 -0.036 0.000 0.717 202 K HN 0.467 nan 8.250 nan 0.000 0.441 203 K N 0.667 121.038 120.400 -0.049 0.000 2.103 203 K HA -0.086 4.234 4.320 -0.000 0.000 0.207 203 K C 1.924 178.498 176.600 -0.043 0.000 1.048 203 K CA 1.056 57.317 56.287 -0.043 0.000 0.930 203 K CB -0.052 32.420 32.500 -0.047 0.000 0.716 203 K HN 0.130 nan 8.250 nan 0.000 0.444 204 L N 0.323 121.514 121.223 -0.054 0.000 2.667 204 L HA 0.102 4.442 4.340 -0.000 0.000 0.232 204 L C -0.022 176.821 176.870 -0.046 0.000 1.138 204 L CA -0.318 54.489 54.840 -0.054 0.000 0.921 204 L CB -0.312 41.705 42.059 -0.070 0.000 1.180 204 L HN 0.258 nan 8.230 nan 0.000 0.487 205 N N 1.494 120.171 118.700 -0.040 0.000 2.725 205 N HA -0.225 4.515 4.740 -0.000 0.000 0.251 205 N C -0.606 174.885 175.510 -0.031 0.000 1.031 205 N CA 0.407 53.439 53.050 -0.031 0.000 0.720 205 N CB -1.109 37.362 38.487 -0.026 0.000 0.930 205 N HN 0.351 nan 8.380 nan 0.000 0.543 206 I N 0.479 121.027 120.570 -0.037 0.000 2.307 206 I HA 0.468 4.638 4.170 -0.000 0.000 0.287 206 I C 0.995 177.100 176.117 -0.020 0.000 1.054 206 I CA -0.497 60.783 61.300 -0.034 0.000 1.218 206 I CB 1.005 38.974 38.000 -0.051 0.000 1.398 206 I HN 0.327 nan 8.210 nan 0.000 0.475 207 A N 5.172 127.987 122.820 -0.009 0.000 2.257 207 A HA 0.427 4.747 4.320 -0.000 0.000 0.289 207 A C 1.419 179.011 177.584 0.013 0.000 1.095 207 A CA -0.439 51.598 52.037 0.000 0.000 0.836 207 A CB 0.561 19.561 19.000 0.001 0.000 1.111 207 A HN 0.807 nan 8.150 nan 0.000 0.497 208 R N 0.851 121.362 120.500 0.018 0.000 2.103 208 R HA -0.214 4.126 4.340 -0.000 0.000 0.242 208 R C 1.745 178.065 176.300 0.035 0.000 1.142 208 R CA 2.820 58.939 56.100 0.031 0.000 0.960 208 R CB -0.640 29.677 30.300 0.028 0.000 0.858 208 R HN 0.903 nan 8.270 nan 0.000 0.439 209 N N 0.759 119.473 118.700 0.024 0.000 2.069 209 N HA -0.229 4.511 4.740 -0.000 0.000 0.191 209 N C 1.280 176.808 175.510 0.029 0.000 1.031 209 N CA 2.272 55.335 53.050 0.021 0.000 0.852 209 N CB -0.633 37.861 38.487 0.012 0.000 1.018 209 N HN 0.577 nan 8.380 nan 0.000 0.423 210 E N 0.566 120.784 120.200 0.031 0.000 2.077 210 E HA -0.149 4.201 4.350 -0.000 0.000 0.193 210 E C 2.191 178.839 176.600 0.080 0.000 0.989 210 E CA 1.087 57.514 56.400 0.043 0.000 0.800 210 E CB -0.215 29.501 29.700 0.026 0.000 0.746 210 E HN 0.555 nan 8.360 nan 0.000 0.452 211 Q N 0.683 120.527 119.800 0.074 0.000 2.084 211 Q HA -0.180 4.160 4.340 -0.000 0.000 0.202 211 Q C 1.678 177.764 176.000 0.144 0.000 0.978 211 Q CA 1.270 57.141 55.803 0.113 0.000 0.844 211 Q CB -0.018 28.774 28.738 0.091 0.000 0.898 211 Q HN 0.238 nan 8.270 nan 0.000 0.426 212 D N 0.387 120.843 120.400 0.093 0.000 2.144 212 D HA -0.092 4.547 4.640 -0.000 0.000 0.200 212 D C 1.768 178.088 176.300 0.033 0.000 0.978 212 D CA 1.243 55.284 54.000 0.069 0.000 0.833 212 D CB -0.175 40.647 40.800 0.037 0.000 0.961 212 D HN 0.247 nan 8.370 nan 0.000 0.470 213 A N 0.022 122.860 122.820 0.031 0.000 1.902 213 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 213 A C 2.193 179.779 177.584 0.004 0.000 1.181 213 A CA 1.234 53.268 52.037 -0.006 0.000 0.623 213 A CB -1.059 17.946 19.000 0.008 0.000 0.818 213 A HN 0.342 nan 8.150 nan 0.000 0.443 214 Y N 0.601 120.899 120.300 -0.005 0.000 2.145 214 Y HA -0.122 4.428 4.550 -0.000 0.000 0.286 214 Y C 2.673 178.589 175.900 0.028 0.000 1.145 214 Y CA 1.445 59.549 58.100 0.008 0.000 1.148 214 Y CB -0.472 37.997 38.460 0.015 0.000 0.981 214 Y HN 0.321 nan 8.280 nan 0.000 0.507 215 A N 0.499 123.409 122.820 0.151 0.000 1.883 215 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 215 A C 2.280 179.935 177.584 0.118 0.000 1.186 215 A CA 2.149 54.284 52.037 0.163 0.000 0.624 215 A CB -1.227 17.927 19.000 0.256 0.000 0.822 215 A HN 0.585 nan 8.150 nan 0.000 0.444 216 I N -0.001 120.533 120.570 -0.061 0.000 2.208 216 I HA -0.302 3.867 4.170 -0.000 0.000 0.245 216 I C 2.424 178.426 176.117 -0.193 0.000 1.097 216 I CA 1.765 62.858 61.300 -0.345 0.000 1.363 216 I CB -0.495 37.091 38.000 -0.690 0.000 1.051 216 I HN 0.579 nan 8.210 nan 0.000 0.413 217 N N 0.352 118.933 118.700 -0.199 0.000 2.104 217 N HA -0.256 4.484 4.740 -0.000 0.000 0.190 217 N C 1.953 177.360 175.510 -0.172 0.000 1.024 217 N CA 1.995 54.927 53.050 -0.197 0.000 0.853 217 N CB -0.159 38.150 38.487 -0.298 0.000 1.008 217 N HN 0.223 nan 8.380 nan 0.000 0.424 218 S N -1.316 114.227 115.700 -0.263 0.000 2.356 218 S HA -0.157 4.313 4.470 -0.000 0.000 0.223 218 S C 1.800 176.379 174.600 -0.035 0.000 1.032 218 S CA 1.057 59.137 58.200 -0.200 0.000 1.005 218 S CB -0.734 62.324 63.200 -0.237 0.000 0.867 218 S HN 0.506 nan 8.310 nan 0.000 0.449 219 Y N 1.953 122.313 120.300 0.101 0.000 2.165 219 Y HA -0.100 4.450 4.550 -0.000 0.000 0.286 219 Y C 3.034 179.109 175.900 0.291 0.000 1.155 219 Y CA 1.860 60.120 58.100 0.267 0.000 1.164 219 Y CB -1.109 37.625 38.460 0.456 0.000 0.978 219 Y HN 0.288 nan 8.280 nan 0.000 0.513 220 T N -0.252 114.544 114.554 0.404 0.000 2.708 220 T HA -0.183 4.167 4.350 -0.000 0.000 0.266 220 T C 1.944 176.745 174.700 0.168 0.000 1.037 220 T CA 1.596 63.875 62.100 0.297 0.000 1.146 220 T CB -0.221 68.766 68.868 0.198 0.000 0.865 220 T HN 0.279 nan 8.240 nan 0.000 0.435 221 R N 0.896 121.448 120.500 0.087 0.000 2.096 221 R HA -0.022 4.318 4.340 -0.000 0.000 0.235 221 R C 2.936 179.260 176.300 0.041 0.000 1.127 221 R CA 1.440 57.563 56.100 0.039 0.000 0.968 221 R CB -0.354 29.943 30.300 -0.006 0.000 0.861 221 R HN 0.243 nan 8.270 nan 0.000 0.440 222 S N 0.854 116.582 115.700 0.047 0.000 2.356 222 S HA -0.178 4.292 4.470 -0.000 0.000 0.223 222 S C 1.786 176.336 174.600 -0.084 0.000 1.032 222 S CA 1.257 59.459 58.200 0.003 0.000 1.005 222 S CB -0.121 63.059 63.200 -0.032 0.000 0.867 222 S HN 0.300 nan 8.310 nan 0.000 0.449 223 K N 1.325 121.728 120.400 0.005 0.000 2.009 223 K HA -0.108 4.212 4.320 -0.000 0.000 0.210 223 K C 2.283 178.968 176.600 0.141 0.000 1.049 223 K CA 1.288 57.650 56.287 0.124 0.000 0.929 223 K CB -0.399 32.308 32.500 0.344 0.000 0.714 223 K HN 0.294 nan 8.250 nan 0.000 0.440 224 A N 0.939 123.824 122.820 0.108 0.000 1.908 224 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 224 A C 2.312 179.908 177.584 0.021 0.000 1.181 224 A CA 2.055 54.135 52.037 0.071 0.000 0.627 224 A CB -0.854 18.176 19.000 0.050 0.000 0.818 224 A HN 0.513 nan 8.150 nan 0.000 0.445 225 A N -1.570 121.232 122.820 -0.030 0.000 1.877 225 A HA -0.146 4.174 4.320 -0.000 0.000 0.216 225 A C 2.002 179.464 177.584 -0.204 0.000 1.186 225 A CA 1.347 53.259 52.037 -0.209 0.000 0.620 225 A CB -0.908 17.892 19.000 -0.334 0.000 0.822 225 A HN 0.738 nan 8.150 nan 0.000 0.443 226 W N 0.055 121.389 121.300 0.057 0.000 2.355 226 W HA -0.126 4.534 4.660 -0.000 0.000 0.309 226 W C 2.407 178.973 176.519 0.079 0.000 1.206 226 W CA 1.510 58.935 57.345 0.133 0.000 1.284 226 W CB -0.133 29.328 29.460 0.002 0.000 1.145 226 W HN 0.430 nan 8.180 nan 0.000 0.502 227 E N -0.398 119.973 120.200 0.284 0.000 2.110 227 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 227 E C 2.145 178.805 176.600 0.100 0.000 0.988 227 E CA 1.233 57.745 56.400 0.186 0.000 0.804 227 E CB -0.413 29.377 29.700 0.150 0.000 0.745 227 E HN 0.210 nan 8.360 nan 0.000 0.458 228 A N 0.192 123.033 122.820 0.034 0.000 2.239 228 A HA 0.153 4.473 4.320 -0.000 0.000 0.209 228 A C 1.693 179.245 177.584 -0.054 0.000 1.171 228 A CA 0.866 52.889 52.037 -0.023 0.000 0.768 228 A CB -0.496 18.464 19.000 -0.066 0.000 0.790 228 A HN 0.347 nan 8.150 nan 0.000 0.478 229 G N -0.388 108.391 108.800 -0.035 0.000 2.160 229 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.251 229 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.251 229 G C 0.784 175.560 174.900 -0.206 0.000 1.008 229 G CA 0.585 45.654 45.100 -0.051 0.000 0.724 229 G HN 0.415 nan 8.290 nan 0.000 0.514 230 K N -0.814 119.335 120.400 -0.419 0.000 2.442 230 K HA 0.085 4.405 4.320 -0.000 0.000 0.198 230 K C 1.124 177.240 176.600 -0.806 0.000 1.042 230 K CA 0.786 56.695 56.287 -0.631 0.000 0.958 230 K CB -0.126 31.879 32.500 -0.826 0.000 0.766 230 K HN 0.541 nan 8.250 nan 0.000 0.474 231 F N -0.621 119.070 119.950 -0.432 0.000 2.654 231 F HA 0.238 4.765 4.527 -0.000 0.000 0.303 231 F C 1.927 177.547 175.800 -0.300 0.000 1.099 231 F CA -0.528 57.177 58.000 -0.492 0.000 1.270 231 F CB -0.164 38.218 39.000 -1.029 0.000 1.024 231 F HN -0.042 nan 8.300 nan 0.000 0.548 232 G N 0.727 109.471 108.800 -0.094 0.000 2.505 232 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.220 232 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.220 232 G C 1.527 176.400 174.900 -0.045 0.000 1.145 232 G CA 1.347 46.430 45.100 -0.029 0.000 0.761 232 G HN 0.303 nan 8.290 nan 0.000 0.571 233 N N -0.789 117.832 118.700 -0.132 0.000 2.392 233 N HA 0.112 4.852 4.740 -0.000 0.000 0.177 233 N C 1.820 177.163 175.510 -0.279 0.000 1.066 233 N CA 0.693 53.646 53.050 -0.161 0.000 0.895 233 N CB 0.285 38.691 38.487 -0.135 0.000 0.988 233 N HN 0.595 nan 8.380 nan 0.000 0.457 234 E N -0.229 119.766 120.200 -0.341 0.000 2.127 234 E HA 0.065 4.415 4.350 -0.000 0.000 0.191 234 E C -0.364 176.215 176.600 -0.035 0.000 0.964 234 E CA 0.381 56.605 56.400 -0.293 0.000 0.832 234 E CB 0.496 30.064 29.700 -0.221 0.000 0.790 234 E HN -0.111 nan 8.360 nan 0.000 0.465 235 V N 3.368 123.294 119.914 0.019 0.000 2.509 235 V HA 0.267 4.387 4.120 -0.000 0.000 0.284 235 V C 0.277 176.427 176.094 0.093 0.000 1.047 235 V CA -0.509 61.844 62.300 0.089 0.000 0.952 235 V CB 1.138 33.081 31.823 0.200 0.000 0.988 235 V HN 0.228 nan 8.190 nan 0.000 0.469 236 I N 3.683 124.302 120.570 0.083 0.000 2.493 236 I HA 0.689 4.859 4.170 -0.000 0.000 0.298 236 I C -2.488 173.673 176.117 0.073 0.000 0.998 236 I CA -2.518 58.826 61.300 0.073 0.000 1.137 236 I CB 2.086 40.118 38.000 0.053 0.000 1.310 236 I HN 0.371 nan 8.210 nan 0.000 0.445 237 P HA 0.117 nan 4.420 nan 0.000 0.274 237 P C -0.727 176.594 177.300 0.035 0.000 1.231 237 P CA -0.202 62.929 63.100 0.053 0.000 0.790 237 P CB 1.935 33.664 31.700 0.048 0.000 0.951 238 V N 1.080 121.008 119.914 0.024 0.000 2.540 238 V HA 0.484 4.603 4.120 -0.000 0.000 0.302 238 V C -0.636 175.462 176.094 0.007 0.000 1.035 238 V CA -0.302 62.008 62.300 0.015 0.000 0.873 238 V CB 1.802 33.633 31.823 0.014 0.000 0.992 238 V HN 0.502 nan 8.190 nan 0.000 0.428 239 T N 6.330 120.888 114.554 0.007 0.000 2.744 239 T HA 0.513 4.863 4.350 -0.000 0.000 0.291 239 T C -0.209 174.490 174.700 -0.001 0.000 0.957 239 T CA -0.197 61.904 62.100 0.002 0.000 1.002 239 T CB 1.056 69.927 68.868 0.004 0.000 0.919 239 T HN 0.693 nan 8.240 nan 0.000 0.468 240 V N 4.429 124.339 119.914 -0.006 0.000 2.383 240 V HA 0.393 4.513 4.120 -0.000 0.000 0.275 240 V C 0.523 176.612 176.094 -0.009 0.000 1.036 240 V CA -0.513 61.782 62.300 -0.009 0.000 0.889 240 V CB 1.296 33.110 31.823 -0.014 0.000 0.985 240 V HN 0.905 nan 8.190 nan 0.000 0.459 241 T N 4.782 119.332 114.554 -0.007 0.000 2.786 241 T HA 0.584 4.933 4.350 -0.000 0.000 0.283 241 T C -0.528 174.167 174.700 -0.008 0.000 0.992 241 T CA -0.312 61.784 62.100 -0.007 0.000 0.954 241 T CB 1.487 70.352 68.868 -0.004 0.000 0.934 241 T HN 0.356 nan 8.240 nan 0.000 0.440 242 V N 4.426 124.335 119.914 -0.009 0.000 2.483 242 V HA 0.367 4.487 4.120 -0.000 0.000 0.297 242 V C 0.274 176.363 176.094 -0.009 0.000 1.027 242 V CA -1.139 61.155 62.300 -0.010 0.000 0.855 242 V CB 1.853 33.669 31.823 -0.013 0.000 0.995 242 V HN 0.760 nan 8.190 nan 0.000 0.424 243 K N 3.003 123.399 120.400 -0.007 0.000 2.473 243 K HA 0.214 4.534 4.320 -0.000 0.000 0.277 243 K C 1.289 177.884 176.600 -0.007 0.000 1.052 243 K CA 1.328 57.611 56.287 -0.006 0.000 1.114 243 K CB 0.087 32.584 32.500 -0.006 0.000 0.869 243 K HN 1.188 nan 8.250 nan 0.000 0.481 244 G N 2.660 111.456 108.800 -0.006 0.000 2.179 244 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.260 244 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.260 244 G C -0.123 174.772 174.900 -0.008 0.000 0.977 244 G CA 0.128 45.224 45.100 -0.007 0.000 0.641 244 G HN 0.557 nan 8.290 nan 0.000 0.533 245 Q N 0.345 120.140 119.800 -0.009 0.000 2.399 245 Q HA 0.626 4.966 4.340 -0.000 0.000 0.276 245 Q C -2.277 173.717 176.000 -0.009 0.000 1.098 245 Q CA -1.726 54.071 55.803 -0.010 0.000 0.827 245 Q CB 2.477 31.207 28.738 -0.012 0.000 1.386 245 Q HN 0.228 nan 8.270 nan 0.000 0.443 246 P HA 0.086 nan 4.420 nan 0.000 0.272 246 P C -0.905 176.389 177.300 -0.010 0.000 1.223 246 P CA -0.309 62.785 63.100 -0.009 0.000 0.784 246 P CB 0.594 32.288 31.700 -0.010 0.000 0.923 247 D N 0.188 120.583 120.400 -0.008 0.000 2.400 247 D HA 0.181 4.820 4.640 -0.000 0.000 0.238 247 D C -0.205 176.088 176.300 -0.011 0.000 1.157 247 D CA 0.276 54.271 54.000 -0.008 0.000 0.889 247 D CB 0.366 41.163 40.800 -0.005 0.000 1.199 247 D HN -0.017 nan 8.370 nan 0.000 0.436 248 V N 2.004 121.910 119.914 -0.012 0.000 2.444 248 V HA 0.217 4.336 4.120 -0.000 0.000 0.294 248 V C -0.045 176.041 176.094 -0.013 0.000 1.022 248 V CA -0.898 61.392 62.300 -0.016 0.000 0.850 248 V CB 1.909 33.719 31.823 -0.021 0.000 0.992 248 V HN 0.230 nan 8.190 nan 0.000 0.426 249 V N 5.936 125.842 119.914 -0.012 0.000 2.368 249 V HA 0.261 4.381 4.120 -0.000 0.000 0.266 249 V C 0.130 176.215 176.094 -0.017 0.000 1.045 249 V CA -0.407 61.888 62.300 -0.008 0.000 0.899 249 V CB 1.533 33.356 31.823 -0.000 0.000 1.006 249 V HN 0.639 nan 8.190 nan 0.000 0.470 250 V N 6.960 126.864 119.914 -0.017 0.000 2.353 250 V HA 0.257 4.377 4.120 -0.000 0.000 0.264 250 V C 0.988 177.069 176.094 -0.021 0.000 1.049 250 V CA -0.348 61.934 62.300 -0.031 0.000 0.896 250 V CB 0.744 32.549 31.823 -0.031 0.000 1.025 250 V HN 1.034 nan 8.190 nan 0.000 0.475 251 K N 3.453 123.830 120.400 -0.039 0.000 2.402 251 K HA 0.330 4.649 4.320 -0.000 0.000 0.203 251 K C 0.284 176.849 176.600 -0.058 0.000 1.077 251 K CA -0.249 56.036 56.287 -0.002 0.000 1.051 251 K CB 0.881 33.397 32.500 0.026 0.000 0.907 251 K HN 0.762 nan 8.250 nan 0.000 0.554 252 E N 0.472 120.523 120.200 -0.249 0.000 2.429 252 E HA 0.256 4.606 4.350 -0.000 0.000 0.276 252 E C -1.485 174.817 176.600 -0.496 0.000 0.953 252 E CA -1.095 54.875 56.400 -0.717 0.000 0.787 252 E CB 0.826 29.803 29.700 -1.204 0.000 1.307 252 E HN -0.136 nan 8.360 nan 0.000 0.458 253 D N 1.286 121.349 120.400 -0.561 0.000 2.493 253 D HA -0.050 4.590 4.640 -0.000 0.000 0.240 253 D C 0.413 176.633 176.300 -0.133 0.000 1.142 253 D CA 0.497 54.408 54.000 -0.149 0.000 0.872 253 D CB 1.274 42.122 40.800 0.080 0.000 1.173 253 D HN 0.661 nan 8.370 nan 0.000 0.467 254 E N 1.787 121.937 120.200 -0.083 0.000 2.122 254 E HA -0.162 4.188 4.350 -0.000 0.000 0.190 254 E C 1.229 177.770 176.600 -0.098 0.000 0.977 254 E CA 0.462 56.792 56.400 -0.116 0.000 0.820 254 E CB 0.293 29.952 29.700 -0.069 0.000 0.770 254 E HN 0.283 nan 8.360 nan 0.000 0.462 255 E N -0.055 120.153 120.200 0.014 0.000 2.106 255 E HA -0.203 4.147 4.350 -0.000 0.000 0.192 255 E C 1.804 178.489 176.600 0.141 0.000 0.984 255 E CA 1.451 57.896 56.400 0.076 0.000 0.806 255 E CB -0.414 29.350 29.700 0.106 0.000 0.750 255 E HN 0.580 nan 8.360 nan 0.000 0.458 256 Y N -0.437 119.917 120.300 0.089 0.000 2.497 256 Y HA 0.122 4.672 4.550 -0.000 0.000 0.292 256 Y C 1.329 177.382 175.900 0.255 0.000 1.137 256 Y CA 0.782 59.015 58.100 0.220 0.000 1.285 256 Y CB -0.124 38.425 38.460 0.149 0.000 0.991 256 Y HN -0.130 nan 8.280 nan 0.000 0.556 257 K N 0.746 120.862 120.400 -0.473 0.000 2.426 257 K HA 0.157 4.477 4.320 -0.000 0.000 0.193 257 K C 0.323 176.812 176.600 -0.185 0.000 1.028 257 K CA 0.048 56.095 56.287 -0.400 0.000 1.047 257 K CB 0.132 32.319 32.500 -0.521 0.000 0.821 257 K HN 0.250 nan 8.250 nan 0.000 0.513 258 R N 1.579 122.040 120.500 -0.065 0.000 4.071 258 R HA 0.195 4.534 4.340 -0.000 0.000 0.220 258 R C -0.902 175.366 176.300 -0.053 0.000 1.614 258 R CA -0.067 56.011 56.100 -0.037 0.000 1.505 258 R CB 0.460 30.772 30.300 0.020 0.000 1.384 258 R HN -0.102 nan 8.270 nan 0.000 0.758 259 V N 0.538 120.344 119.914 -0.180 0.000 3.120 259 V HA 0.312 4.432 4.120 -0.000 0.000 0.303 259 V C -1.751 174.191 176.094 -0.254 0.000 1.238 259 V CA -0.806 61.313 62.300 -0.303 0.000 1.008 259 V CB 2.829 34.191 31.823 -0.768 0.000 1.064 259 V HN 0.350 nan 8.190 nan 0.000 0.434 260 D N 4.066 124.375 120.400 -0.152 0.000 2.402 260 D HA 0.299 4.939 4.640 -0.000 0.000 0.252 260 D C 0.467 176.803 176.300 0.061 0.000 1.294 260 D CA -0.357 53.581 54.000 -0.103 0.000 0.948 260 D CB 1.106 41.869 40.800 -0.062 0.000 1.202 260 D HN 0.311 nan 8.370 nan 0.000 0.561 261 F N 1.638 121.525 119.950 -0.104 0.000 2.202 261 F HA -0.177 4.350 4.527 -0.000 0.000 0.301 261 F C 2.657 178.431 175.800 -0.043 0.000 1.082 261 F CA 1.191 59.145 58.000 -0.075 0.000 1.313 261 F CB -1.114 37.856 39.000 -0.049 0.000 1.024 261 F HN 0.409 nan 8.300 nan 0.000 0.495 262 S N -0.258 115.531 115.700 0.149 0.000 2.402 262 S HA -0.157 4.313 4.470 -0.000 0.000 0.229 262 S C 1.793 176.424 174.600 0.050 0.000 1.021 262 S CA 0.869 59.116 58.200 0.077 0.000 0.974 262 S CB -0.428 62.799 63.200 0.045 0.000 0.800 262 S HN 0.410 nan 8.310 nan 0.000 0.484 263 K N 0.724 121.151 120.400 0.044 0.000 2.305 263 K HA 0.202 4.522 4.320 -0.000 0.000 0.199 263 K C 1.951 178.570 176.600 0.032 0.000 1.047 263 K CA 0.637 56.940 56.287 0.027 0.000 0.976 263 K CB -0.345 32.163 32.500 0.013 0.000 0.765 263 K HN 0.193 nan 8.250 nan 0.000 0.474 264 V N 2.664 122.606 119.914 0.047 0.000 2.233 264 V HA -0.244 3.876 4.120 -0.000 0.000 0.252 264 V C -0.900 175.214 176.094 0.033 0.000 1.063 264 V CA 2.139 64.464 62.300 0.043 0.000 1.032 264 V CB -1.117 30.728 31.823 0.037 0.000 0.645 264 V HN 0.301 nan 8.190 nan 0.000 0.446 265 P HA -0.055 nan 4.420 nan 0.000 0.245 265 P C 0.926 178.237 177.300 0.018 0.000 1.212 265 P CA 1.099 64.211 63.100 0.020 0.000 0.774 265 P CB -0.028 31.681 31.700 0.014 0.000 0.999 266 K N -1.187 119.224 120.400 0.018 0.000 2.354 266 K HA 0.140 4.460 4.320 -0.000 0.000 0.194 266 K C 0.542 177.148 176.600 0.009 0.000 1.038 266 K CA -0.456 55.838 56.287 0.012 0.000 1.052 266 K CB 0.087 32.593 32.500 0.011 0.000 0.861 266 K HN 0.064 nan 8.250 nan 0.000 0.535 267 L N 2.243 123.474 121.223 0.013 0.000 2.483 267 L HA -0.031 4.309 4.340 -0.000 0.000 0.276 267 L C 0.430 177.300 176.870 0.001 0.000 1.213 267 L CA 0.777 55.622 54.840 0.008 0.000 0.843 267 L CB 0.199 42.270 42.059 0.019 0.000 1.107 267 L HN -0.082 nan 8.230 nan 0.000 0.487 268 K N 0.747 121.139 120.400 -0.014 0.000 2.118 268 K HA 0.316 4.636 4.320 -0.000 0.000 0.264 268 K C -0.093 176.483 176.600 -0.040 0.000 1.000 268 K CA -0.399 55.873 56.287 -0.024 0.000 0.929 268 K CB 0.645 33.125 32.500 -0.032 0.000 1.021 268 K HN 0.689 nan 8.250 nan 0.000 0.463 269 T N -1.411 113.122 114.554 -0.035 0.000 2.782 269 T HA 0.170 4.520 4.350 -0.000 0.000 0.298 269 T C 1.412 176.046 174.700 -0.109 0.000 0.944 269 T CA -0.807 61.270 62.100 -0.039 0.000 1.001 269 T CB -0.111 68.760 68.868 0.005 0.000 0.932 269 T HN 0.291 nan 8.240 nan 0.000 0.524 270 V N 0.350 120.107 119.914 -0.262 0.000 2.548 270 V HA 0.054 4.174 4.120 -0.000 0.000 0.249 270 V C 1.758 177.590 176.094 -0.438 0.000 1.055 270 V CA 0.863 62.906 62.300 -0.429 0.000 1.065 270 V CB -1.302 30.136 31.823 -0.642 0.000 0.681 270 V HN 0.738 nan 8.190 nan 0.000 0.462 271 F N 0.648 120.569 119.950 -0.048 0.000 2.743 271 F HA 0.381 4.908 4.527 -0.000 0.000 0.297 271 F C 1.349 177.132 175.800 -0.028 0.000 1.131 271 F CA 0.353 58.319 58.000 -0.057 0.000 1.426 271 F CB -0.005 38.952 39.000 -0.073 0.000 1.116 271 F HN 0.259 nan 8.300 nan 0.000 0.583 272 Q N 0.033 119.895 119.800 0.102 0.000 2.334 272 Q HA 0.184 4.524 4.340 -0.000 0.000 0.249 272 Q C 0.218 176.232 176.000 0.023 0.000 0.909 272 Q CA -0.261 55.578 55.803 0.061 0.000 0.823 272 Q CB 1.403 30.179 28.738 0.063 0.000 1.353 272 Q HN 0.111 nan 8.270 nan 0.000 0.433 273 K N 0.924 121.330 120.400 0.010 0.000 2.057 273 K HA -0.002 4.318 4.320 -0.000 0.000 0.206 273 K C 0.328 176.931 176.600 0.005 0.000 1.050 273 K CA 0.727 57.014 56.287 0.000 0.000 0.935 273 K CB 0.330 32.828 32.500 -0.003 0.000 0.715 273 K HN 0.379 nan 8.250 nan 0.000 0.439 274 E N 1.880 122.086 120.200 0.009 0.000 2.105 274 E HA 0.019 4.369 4.350 -0.000 0.000 0.285 274 E C -0.746 175.859 176.600 0.009 0.000 1.055 274 E CA -0.059 56.346 56.400 0.008 0.000 0.843 274 E CB 0.463 30.169 29.700 0.008 0.000 1.067 274 E HN 0.157 nan 8.360 nan 0.000 0.398 275 N N 2.035 120.740 118.700 0.007 0.000 2.740 275 N HA -0.164 4.576 4.740 -0.000 0.000 0.248 275 N C -0.092 175.425 175.510 0.010 0.000 1.062 275 N CA 1.081 54.135 53.050 0.007 0.000 0.704 275 N CB -1.154 37.335 38.487 0.003 0.000 0.968 275 N HN 0.587 nan 8.380 nan 0.000 0.547 276 G N -1.279 107.530 108.800 0.015 0.000 2.572 276 G HA2 0.454 4.414 3.960 -0.000 0.000 0.261 276 G HA3 0.454 4.414 3.960 -0.000 0.000 0.261 276 G C 0.989 175.906 174.900 0.028 0.000 1.197 276 G CA 0.448 45.563 45.100 0.026 0.000 0.870 276 G HN 0.349 nan 8.290 nan 0.000 0.548 277 T N -3.659 110.920 114.554 0.042 0.000 3.051 277 T HA 0.161 4.511 4.350 -0.000 0.000 0.254 277 T C 0.410 175.159 174.700 0.081 0.000 0.916 277 T CA 0.037 62.164 62.100 0.045 0.000 0.894 277 T CB 0.059 68.942 68.868 0.025 0.000 1.251 277 T HN 0.314 nan 8.240 nan 0.000 0.517 278 V N 3.940 123.925 119.914 0.118 0.000 2.465 278 V HA 0.663 4.783 4.120 -0.000 0.000 0.279 278 V C 0.631 176.859 176.094 0.222 0.000 1.045 278 V CA -0.050 62.377 62.300 0.212 0.000 0.938 278 V CB 0.958 32.934 31.823 0.255 0.000 0.986 278 V HN 0.796 nan 8.190 nan 0.000 0.467 279 T N 1.423 116.106 114.554 0.215 0.000 2.864 279 T HA 0.682 5.032 4.350 -0.000 0.000 0.289 279 T C 1.072 175.871 174.700 0.165 0.000 1.082 279 T CA -0.034 62.137 62.100 0.118 0.000 1.009 279 T CB 1.930 70.848 68.868 0.084 0.000 1.234 279 T HN 0.643 nan 8.240 nan 0.000 0.526 280 A N 0.494 123.358 122.820 0.074 0.000 1.940 280 A HA 0.186 4.506 4.320 -0.000 0.000 0.219 280 A C 2.520 180.202 177.584 0.164 0.000 1.176 280 A CA 2.230 54.330 52.037 0.105 0.000 0.631 280 A CB -1.545 17.480 19.000 0.042 0.000 0.814 280 A HN 1.314 nan 8.150 nan 0.000 0.446 281 A N 1.095 124.009 122.820 0.157 0.000 1.897 281 A HA -0.145 4.175 4.320 -0.000 0.000 0.215 281 A C 1.695 179.445 177.584 0.276 0.000 1.181 281 A CA 1.783 53.944 52.037 0.208 0.000 0.620 281 A CB -0.614 18.472 19.000 0.143 0.000 0.821 281 A HN 0.763 nan 8.150 nan 0.000 0.443 282 N N -0.319 118.525 118.700 0.240 0.000 2.336 282 N HA 0.363 5.102 4.740 -0.000 0.000 0.189 282 N C 0.254 175.933 175.510 0.281 0.000 1.113 282 N CA 0.662 53.867 53.050 0.259 0.000 0.858 282 N CB -0.151 38.468 38.487 0.221 0.000 0.970 282 N HN 0.403 nan 8.380 nan 0.000 0.471 283 A N 0.164 123.160 122.820 0.294 0.000 2.281 283 A HA 0.686 5.006 4.320 -0.000 0.000 0.329 283 A C 0.388 178.012 177.584 0.065 0.000 1.122 283 A CA -0.493 51.696 52.037 0.252 0.000 0.850 283 A CB 0.494 19.783 19.000 0.482 0.000 1.207 283 A HN 0.391 nan 8.150 nan 0.000 0.495 284 S N -0.026 115.581 115.700 -0.154 0.000 2.596 284 S HA 0.510 4.980 4.470 -0.000 0.000 0.260 284 S C 0.447 175.051 174.600 0.007 0.000 1.336 284 S CA 0.282 58.433 58.200 -0.082 0.000 0.993 284 S CB 0.385 63.504 63.200 -0.135 0.000 0.923 284 S HN 1.335 nan 8.310 nan 0.000 0.567 285 T N -1.288 113.293 114.554 0.045 0.000 2.938 285 T HA 0.627 4.977 4.350 -0.000 0.000 0.285 285 T C -0.167 174.540 174.700 0.012 0.000 1.028 285 T CA -1.161 60.968 62.100 0.049 0.000 1.005 285 T CB 0.289 69.205 68.868 0.081 0.000 1.157 285 T HN 0.559 nan 8.240 nan 0.000 0.550 286 L N 1.814 123.007 121.223 -0.050 0.000 2.305 286 L HA 0.554 4.894 4.340 -0.000 0.000 0.281 286 L C -0.156 176.741 176.870 0.045 0.000 1.085 286 L CA -0.557 54.214 54.840 -0.116 0.000 0.813 286 L CB 0.296 42.067 42.059 -0.480 0.000 1.157 286 L HN 0.746 nan 8.230 nan 0.000 0.436 287 N N 0.752 119.491 118.700 0.065 0.000 2.825 287 N HA 0.448 5.188 4.740 -0.000 0.000 0.253 287 N C -1.912 173.647 175.510 0.082 0.000 1.426 287 N CA -0.886 52.225 53.050 0.101 0.000 0.851 287 N CB 1.676 40.208 38.487 0.075 0.000 1.470 287 N HN 0.398 nan 8.380 nan 0.000 0.517 288 D N -0.286 120.156 120.400 0.070 0.000 2.362 288 D HA 0.739 5.378 4.640 -0.000 0.000 0.247 288 D C -0.206 176.115 176.300 0.034 0.000 1.050 288 D CA -0.277 53.750 54.000 0.045 0.000 0.839 288 D CB 1.816 42.638 40.800 0.036 0.000 1.283 288 D HN 0.656 nan 8.370 nan 0.000 0.477 289 G N -0.572 108.244 108.800 0.027 0.000 2.356 289 G HA2 0.635 4.594 3.960 -0.000 0.000 0.294 289 G HA3 0.635 4.594 3.960 -0.000 0.000 0.294 289 G C -1.969 172.947 174.900 0.027 0.000 1.423 289 G CA -0.393 44.724 45.100 0.028 0.000 0.806 289 G HN 0.598 nan 8.290 nan 0.000 0.527 290 A N -1.129 121.709 122.820 0.030 0.000 2.539 290 A HA 1.093 5.412 4.320 -0.000 0.000 0.296 290 A C -0.274 177.334 177.584 0.039 0.000 1.073 290 A CA 0.190 52.246 52.037 0.031 0.000 0.700 290 A CB 1.616 20.632 19.000 0.027 0.000 1.296 290 A HN 2.522 nan 8.150 nan 0.000 0.405 291 A N -0.019 122.826 122.820 0.042 0.000 2.498 291 A HA 1.007 5.327 4.320 -0.000 0.000 0.298 291 A C -0.429 177.183 177.584 0.047 0.000 1.075 291 A CA -0.060 52.008 52.037 0.050 0.000 0.714 291 A CB 1.588 20.623 19.000 0.059 0.000 1.299 291 A HN 2.608 nan 8.150 nan 0.000 0.407 292 A N 0.761 123.611 122.820 0.050 0.000 2.488 292 A HA 0.716 5.036 4.320 -0.000 0.000 0.298 292 A C -1.858 175.752 177.584 0.043 0.000 1.044 292 A CA -0.332 51.730 52.037 0.041 0.000 0.693 292 A CB 0.999 20.020 19.000 0.035 0.000 1.272 292 A HN 0.883 nan 8.150 nan 0.000 0.402 293 L N 1.568 122.809 121.223 0.029 0.000 2.365 293 L HA 0.577 4.917 4.340 -0.000 0.000 0.273 293 L C -0.216 176.656 176.870 0.004 0.000 1.000 293 L CA -0.553 54.299 54.840 0.021 0.000 0.819 293 L CB 1.989 44.056 42.059 0.013 0.000 1.284 293 L HN 0.451 nan 8.230 nan 0.000 0.418 294 V N 4.652 124.567 119.914 0.002 0.000 2.432 294 V HA 0.402 4.522 4.120 -0.000 0.000 0.271 294 V C 0.042 176.126 176.094 -0.017 0.000 1.046 294 V CA -0.329 61.965 62.300 -0.009 0.000 0.945 294 V CB 0.970 32.790 31.823 -0.005 0.000 0.992 294 V HN 0.469 nan 8.190 nan 0.000 0.471 295 L N 7.008 128.216 121.223 -0.026 0.000 2.346 295 L HA 0.822 5.162 4.340 -0.000 0.000 0.274 295 L C -0.217 176.636 176.870 -0.027 0.000 1.007 295 L CA -0.525 54.300 54.840 -0.026 0.000 0.818 295 L CB 1.805 43.845 42.059 -0.032 0.000 1.284 295 L HN 0.728 nan 8.230 nan 0.000 0.424 296 M N -0.138 119.450 119.600 -0.020 0.000 2.721 296 M HA 0.518 4.998 4.480 -0.000 0.000 0.271 296 M C -0.524 175.770 176.300 -0.011 0.000 1.259 296 M CA -0.803 54.486 55.300 -0.018 0.000 0.835 296 M CB 2.093 34.682 32.600 -0.017 0.000 1.689 296 M HN 0.478 nan 8.290 nan 0.000 0.470 297 T N -0.482 114.066 114.554 -0.010 0.000 2.898 297 T HA 0.509 4.859 4.350 -0.000 0.000 0.301 297 T C 1.217 175.912 174.700 -0.008 0.000 1.049 297 T CA -0.065 62.031 62.100 -0.006 0.000 1.095 297 T CB 1.108 69.973 68.868 -0.006 0.000 0.976 297 T HN 0.865 nan 8.240 nan 0.000 0.539 298 A N 1.880 124.696 122.820 -0.007 0.000 1.917 298 A HA -0.172 4.148 4.320 -0.000 0.000 0.219 298 A C 2.075 179.654 177.584 -0.009 0.000 1.182 298 A CA 1.954 53.985 52.037 -0.009 0.000 0.633 298 A CB -1.003 17.991 19.000 -0.009 0.000 0.819 298 A HN 0.929 nan 8.150 nan 0.000 0.448 299 D N -0.048 120.347 120.400 -0.008 0.000 2.104 299 D HA -0.106 4.533 4.640 -0.000 0.000 0.194 299 D C 2.271 178.567 176.300 -0.007 0.000 0.994 299 D CA 1.711 55.707 54.000 -0.007 0.000 0.830 299 D CB -0.560 40.237 40.800 -0.005 0.000 0.959 299 D HN 0.447 nan 8.370 nan 0.000 0.452 300 A N 1.026 123.842 122.820 -0.007 0.000 1.933 300 A HA -0.075 4.244 4.320 -0.000 0.000 0.218 300 A C 2.318 179.897 177.584 -0.009 0.000 1.175 300 A CA 2.266 54.299 52.037 -0.007 0.000 0.628 300 A CB -0.652 18.343 19.000 -0.009 0.000 0.814 300 A HN 0.247 nan 8.150 nan 0.000 0.444 301 A N -0.186 122.628 122.820 -0.010 0.000 1.902 301 A HA -0.164 4.155 4.320 -0.000 0.000 0.217 301 A C 2.103 179.681 177.584 -0.010 0.000 1.181 301 A CA 1.884 53.914 52.037 -0.011 0.000 0.623 301 A CB -0.401 18.590 19.000 -0.014 0.000 0.818 301 A HN 0.555 nan 8.150 nan 0.000 0.443 302 K N -0.765 119.629 120.400 -0.010 0.000 2.026 302 K HA -0.149 4.170 4.320 -0.000 0.000 0.208 302 K C 2.379 178.975 176.600 -0.007 0.000 1.048 302 K CA 1.558 57.840 56.287 -0.009 0.000 0.929 302 K CB -0.215 32.280 32.500 -0.009 0.000 0.713 302 K HN 0.486 nan 8.250 nan 0.000 0.439 303 R N 1.161 121.658 120.500 -0.006 0.000 2.091 303 R HA -0.123 4.217 4.340 -0.000 0.000 0.238 303 R C 1.707 178.004 176.300 -0.005 0.000 1.136 303 R CA 1.392 57.489 56.100 -0.005 0.000 0.959 303 R CB -0.176 30.122 30.300 -0.004 0.000 0.856 303 R HN 0.152 nan 8.270 nan 0.000 0.437 304 L N 0.833 122.053 121.223 -0.006 0.000 2.591 304 L HA 0.074 4.414 4.340 -0.000 0.000 0.228 304 L C 0.247 177.114 176.870 -0.005 0.000 1.133 304 L CA -0.066 54.771 54.840 -0.005 0.000 0.880 304 L CB -0.316 41.739 42.059 -0.006 0.000 1.033 304 L HN 0.337 nan 8.230 nan 0.000 0.450 305 N N 0.728 119.424 118.700 -0.006 0.000 2.714 305 N HA -0.170 4.569 4.740 -0.000 0.000 0.253 305 N C -0.719 174.787 175.510 -0.007 0.000 1.024 305 N CA 0.778 53.824 53.050 -0.007 0.000 0.726 305 N CB -0.739 37.745 38.487 -0.005 0.000 0.908 305 N HN 0.226 nan 8.380 nan 0.000 0.542 306 V N -1.888 118.021 119.914 -0.009 0.000 2.680 306 V HA 0.816 4.935 4.120 -0.000 0.000 0.309 306 V C 0.608 176.694 176.094 -0.014 0.000 1.052 306 V CA -0.272 62.022 62.300 -0.010 0.000 0.908 306 V CB 1.867 33.685 31.823 -0.009 0.000 1.001 306 V HN 0.340 nan 8.190 nan 0.000 0.431 307 T N 2.362 116.907 114.554 -0.015 0.000 2.727 307 T HA 0.555 4.905 4.350 -0.000 0.000 0.298 307 T C -2.002 172.682 174.700 -0.028 0.000 0.942 307 T CA -1.419 60.669 62.100 -0.021 0.000 0.997 307 T CB 0.712 69.567 68.868 -0.021 0.000 0.917 307 T HN 0.812 nan 8.240 nan 0.000 0.487 308 P HA 0.201 nan 4.420 nan 0.000 0.271 308 P C 0.627 177.895 177.300 -0.054 0.000 1.218 308 P CA -0.566 62.511 63.100 -0.039 0.000 0.780 308 P CB 1.220 32.900 31.700 -0.035 0.000 0.901 309 L N 0.770 121.950 121.223 -0.072 0.000 2.127 309 L HA 0.210 4.550 4.340 -0.000 0.000 0.203 309 L C 1.246 178.057 176.870 -0.098 0.000 1.080 309 L CA 1.038 55.817 54.840 -0.100 0.000 0.768 309 L CB -0.316 41.648 42.059 -0.158 0.000 0.924 309 L HN 0.479 nan 8.230 nan 0.000 0.444 310 A N -0.432 122.338 122.820 -0.083 0.000 2.609 310 A HA 0.609 4.929 4.320 -0.000 0.000 0.291 310 A C -1.137 176.420 177.584 -0.044 0.000 1.096 310 A CA -0.585 51.409 52.037 -0.072 0.000 0.684 310 A CB 1.425 20.377 19.000 -0.080 0.000 1.282 310 A HN 0.078 nan 8.150 nan 0.000 0.412 311 R N 1.108 121.588 120.500 -0.032 0.000 2.460 311 R HA 0.672 5.012 4.340 -0.000 0.000 0.303 311 R C -1.327 174.988 176.300 0.025 0.000 0.968 311 R CA -0.564 55.533 56.100 -0.005 0.000 0.889 311 R CB 0.696 30.990 30.300 -0.010 0.000 1.123 311 R HN 0.648 nan 8.270 nan 0.000 0.455 312 I N 5.571 126.171 120.570 0.050 0.000 2.337 312 I HA 0.044 4.214 4.170 -0.000 0.000 0.291 312 I C 0.867 177.040 176.117 0.093 0.000 1.046 312 I CA -0.328 61.032 61.300 0.099 0.000 1.324 312 I CB 1.670 39.760 38.000 0.150 0.000 1.409 312 I HN 0.586 nan 8.210 nan 0.000 0.494 313 V N 6.073 126.035 119.914 0.079 0.000 2.436 313 V HA 0.293 4.412 4.120 -0.000 0.000 0.240 313 V C 0.786 176.839 176.094 -0.067 0.000 1.040 313 V CA 1.040 63.357 62.300 0.028 0.000 1.052 313 V CB -0.039 31.825 31.823 0.069 0.000 0.707 313 V HN 0.849 nan 8.190 nan 0.000 0.469 314 A N -0.128 122.645 122.820 -0.079 0.000 2.586 314 A HA 0.807 5.127 4.320 -0.000 0.000 0.290 314 A C -1.703 175.809 177.584 -0.119 0.000 1.086 314 A CA -0.447 51.419 52.037 -0.285 0.000 0.665 314 A CB 1.497 20.367 19.000 -0.217 0.000 1.279 314 A HN 0.532 nan 8.150 nan 0.000 0.423 315 F N -2.896 117.056 119.950 0.003 0.000 2.719 315 F HA 0.919 5.445 4.527 -0.000 0.000 0.309 315 F C -0.410 175.401 175.800 0.018 0.000 1.138 315 F CA -0.615 57.392 58.000 0.012 0.000 0.943 315 F CB 1.090 40.101 39.000 0.020 0.000 1.304 315 F HN 1.647 nan 8.300 nan 0.000 0.445 316 A N 0.528 123.519 122.820 0.285 0.000 2.612 316 A HA 0.695 5.015 4.320 -0.000 0.000 0.293 316 A C -2.215 175.466 177.584 0.162 0.000 1.075 316 A CA -0.784 51.363 52.037 0.184 0.000 0.680 316 A CB 1.751 20.809 19.000 0.098 0.000 1.279 316 A HN 0.771 nan 8.150 nan 0.000 0.411 317 D N 0.096 120.572 120.400 0.128 0.000 2.342 317 D HA 0.703 5.343 4.640 -0.000 0.000 0.243 317 D C -0.317 176.039 176.300 0.093 0.000 1.019 317 D CA 0.111 54.173 54.000 0.104 0.000 0.864 317 D CB 2.260 43.111 40.800 0.085 0.000 1.315 317 D HN 0.915 nan 8.370 nan 0.000 0.468 318 A N 0.336 123.215 122.820 0.100 0.000 2.515 318 A HA 0.865 5.185 4.320 -0.000 0.000 0.296 318 A C -1.523 176.117 177.584 0.093 0.000 1.094 318 A CA -0.580 51.517 52.037 0.099 0.000 0.718 318 A CB 2.100 21.194 19.000 0.156 0.000 1.307 318 A HN 0.598 nan 8.150 nan 0.000 0.408 319 A N 0.025 122.884 122.820 0.064 0.000 2.515 319 A HA 0.857 5.177 4.320 -0.000 0.000 0.298 319 A C -0.355 177.249 177.584 0.034 0.000 1.059 319 A CA 0.042 52.115 52.037 0.060 0.000 0.698 319 A CB 1.135 20.157 19.000 0.036 0.000 1.289 319 A HN 2.341 nan 8.150 nan 0.000 0.404 320 V N -1.831 118.116 119.914 0.055 0.000 3.105 320 V HA 0.689 4.809 4.120 -0.000 0.000 0.311 320 V C -0.232 175.873 176.094 0.017 0.000 1.282 320 V CA -1.092 61.226 62.300 0.030 0.000 1.065 320 V CB 0.896 32.771 31.823 0.087 0.000 1.136 320 V HN 0.797 nan 8.190 nan 0.000 0.469 321 E N 1.489 121.691 120.200 0.004 0.000 2.502 321 E HA 0.103 4.452 4.350 -0.000 0.000 0.261 321 E C -1.818 174.803 176.600 0.035 0.000 0.974 321 E CA -1.027 55.367 56.400 -0.010 0.000 0.936 321 E CB 1.017 30.711 29.700 -0.010 0.000 0.926 321 E HN 0.488 nan 8.360 nan 0.000 0.459 322 P HA -0.194 nan 4.420 nan 0.000 0.216 322 P C 1.541 178.970 177.300 0.215 0.000 1.154 322 P CA 1.080 64.260 63.100 0.135 0.000 0.865 322 P CB 0.092 31.888 31.700 0.161 0.000 0.789 323 I N -0.764 119.888 120.570 0.137 0.000 2.454 323 I HA -0.191 3.979 4.170 -0.000 0.000 0.254 323 I C 0.510 176.619 176.117 -0.013 0.000 1.156 323 I CA 1.603 62.962 61.300 0.098 0.000 1.433 323 I CB -0.105 37.919 38.000 0.041 0.000 1.082 323 I HN -0.137 nan 8.210 nan 0.000 0.432 324 D N 0.478 120.874 120.400 -0.008 0.000 2.370 324 D HA -0.024 4.616 4.640 -0.000 0.000 0.230 324 D C 1.632 177.878 176.300 -0.090 0.000 1.143 324 D CA 0.052 53.999 54.000 -0.088 0.000 0.834 324 D CB -0.192 40.598 40.800 -0.017 0.000 0.944 324 D HN 0.457 nan 8.370 nan 0.000 0.504 325 F N 0.791 120.760 119.950 0.031 0.000 2.192 325 F HA -0.035 4.492 4.527 -0.000 0.000 0.301 325 F C -1.080 174.746 175.800 0.043 0.000 1.079 325 F CA 0.432 58.461 58.000 0.048 0.000 1.303 325 F CB -2.001 37.034 39.000 0.058 0.000 1.024 325 F HN -0.036 nan 8.300 nan 0.000 0.494 326 P HA -0.166 nan 4.420 nan 0.000 0.219 326 P C 1.769 179.003 177.300 -0.110 0.000 1.146 326 P CA 2.094 65.019 63.100 -0.291 0.000 0.808 326 P CB -0.313 31.124 31.700 -0.438 0.000 0.779 327 I N -5.736 114.774 120.570 -0.100 0.000 3.860 327 I HA 0.297 4.466 4.170 -0.000 0.000 0.319 327 I C 1.811 177.900 176.117 -0.046 0.000 1.279 327 I CA 0.254 61.496 61.300 -0.097 0.000 1.220 327 I CB -0.468 37.472 38.000 -0.100 0.000 1.027 327 I HN -0.245 nan 8.210 nan 0.000 0.428 328 A N 2.718 125.593 122.820 0.092 0.000 1.917 328 A HA -0.049 4.271 4.320 -0.000 0.000 0.219 328 A C 0.158 177.813 177.584 0.119 0.000 1.182 328 A CA 1.798 53.947 52.037 0.186 0.000 0.633 328 A CB -1.960 17.157 19.000 0.195 0.000 0.819 328 A HN 0.408 nan 8.150 nan 0.000 0.448 329 P HA -0.108 nan 4.420 nan 0.000 0.219 329 P C 1.543 178.845 177.300 0.004 0.000 1.146 329 P CA 1.193 64.329 63.100 0.061 0.000 0.808 329 P CB -0.155 31.581 31.700 0.060 0.000 0.779 330 V N -1.430 118.400 119.914 -0.139 0.000 2.255 330 V HA -0.284 3.836 4.120 -0.000 0.000 0.247 330 V C 2.140 178.116 176.094 -0.197 0.000 1.051 330 V CA 1.951 64.094 62.300 -0.262 0.000 1.018 330 V CB -1.559 29.945 31.823 -0.533 0.000 0.641 330 V HN 0.035 nan 8.190 nan 0.000 0.445 331 Y N 0.844 121.168 120.300 0.040 0.000 2.145 331 Y HA -0.119 4.431 4.550 -0.000 0.000 0.286 331 Y C 2.577 178.508 175.900 0.051 0.000 1.145 331 Y CA 1.043 59.166 58.100 0.038 0.000 1.148 331 Y CB -1.396 37.080 38.460 0.028 0.000 0.981 331 Y HN 0.175 nan 8.280 nan 0.000 0.507 332 A N 0.308 123.248 122.820 0.200 0.000 1.883 332 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 332 A C 2.508 180.168 177.584 0.126 0.000 1.186 332 A CA 2.166 54.292 52.037 0.148 0.000 0.624 332 A CB -1.320 17.762 19.000 0.136 0.000 0.822 332 A HN 0.414 nan 8.150 nan 0.000 0.444 333 A N -0.652 122.246 122.820 0.130 0.000 1.933 333 A HA -0.075 4.245 4.320 -0.000 0.000 0.218 333 A C 2.440 180.099 177.584 0.124 0.000 1.175 333 A CA 2.133 54.260 52.037 0.150 0.000 0.628 333 A CB -0.814 18.343 19.000 0.262 0.000 0.814 333 A HN 0.470 nan 8.150 nan 0.000 0.444 334 S N -0.490 115.281 115.700 0.117 0.000 2.368 334 S HA -0.133 4.337 4.470 -0.000 0.000 0.224 334 S C 2.002 176.647 174.600 0.075 0.000 1.029 334 S CA 1.660 59.920 58.200 0.100 0.000 0.988 334 S CB -0.406 62.862 63.200 0.113 0.000 0.838 334 S HN 0.574 nan 8.310 nan 0.000 0.462 335 M N 0.822 120.472 119.600 0.084 0.000 2.082 335 M HA -0.135 4.345 4.480 -0.000 0.000 0.258 335 M C 2.150 178.461 176.300 0.018 0.000 1.069 335 M CA 1.388 56.720 55.300 0.053 0.000 1.102 335 M CB -0.737 31.902 32.600 0.065 0.000 1.336 335 M HN 0.154 nan 8.290 nan 0.000 0.404 336 V N 0.581 120.507 119.914 0.020 0.000 2.343 336 V HA -0.261 3.859 4.120 -0.000 0.000 0.247 336 V C 2.271 178.331 176.094 -0.057 0.000 1.051 336 V CA 1.688 63.975 62.300 -0.022 0.000 1.036 336 V CB -0.663 31.156 31.823 -0.008 0.000 0.654 336 V HN 0.453 nan 8.190 nan 0.000 0.451 337 L N -0.292 120.907 121.223 -0.040 0.000 2.017 337 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 337 L C 2.624 179.461 176.870 -0.055 0.000 1.073 337 L CA 1.984 56.786 54.840 -0.065 0.000 0.745 337 L CB -0.635 41.414 42.059 -0.017 0.000 0.894 337 L HN 0.286 nan 8.230 nan 0.000 0.432 338 K N 0.046 120.433 120.400 -0.023 0.000 2.057 338 K HA -0.258 4.062 4.320 -0.000 0.000 0.207 338 K C 1.832 178.410 176.600 -0.036 0.000 1.049 338 K CA 1.989 58.264 56.287 -0.020 0.000 0.931 338 K CB -0.104 32.396 32.500 0.001 0.000 0.714 338 K HN 0.168 nan 8.250 nan 0.000 0.440 339 D N -0.029 120.344 120.400 -0.044 0.000 2.104 339 D HA -0.139 4.501 4.640 -0.000 0.000 0.194 339 D C 1.618 177.873 176.300 -0.074 0.000 0.994 339 D CA 1.191 55.155 54.000 -0.060 0.000 0.830 339 D CB 0.143 40.897 40.800 -0.076 0.000 0.959 339 D HN 0.051 nan 8.370 nan 0.000 0.452 340 V N -0.677 119.182 119.914 -0.092 0.000 3.406 340 V HA 0.201 4.321 4.120 -0.000 0.000 0.263 340 V C 1.601 177.638 176.094 -0.095 0.000 1.172 340 V CA 0.744 62.980 62.300 -0.106 0.000 1.140 340 V CB -0.270 31.460 31.823 -0.156 0.000 0.784 340 V HN 0.488 nan 8.190 nan 0.000 0.467 341 G N 0.945 109.696 108.800 -0.081 0.000 2.225 341 G HA2 -0.236 3.723 3.960 -0.000 0.000 0.264 341 G HA3 -0.236 3.723 3.960 -0.000 0.000 0.264 341 G C -0.155 174.697 174.900 -0.081 0.000 1.060 341 G CA 0.422 45.484 45.100 -0.064 0.000 0.833 341 G HN 0.440 nan 8.290 nan 0.000 0.498 342 L N -1.407 119.745 121.223 -0.118 0.000 2.331 342 L HA 0.741 5.081 4.340 -0.000 0.000 0.268 342 L C 0.735 177.560 176.870 -0.076 0.000 1.015 342 L CA -1.126 53.631 54.840 -0.139 0.000 0.807 342 L CB 1.357 43.244 42.059 -0.287 0.000 1.293 342 L HN 0.060 nan 8.230 nan 0.000 0.451 343 K N -0.149 120.222 120.400 -0.049 0.000 2.238 343 K HA 0.277 4.597 4.320 -0.000 0.000 0.239 343 K C 0.532 177.159 176.600 0.045 0.000 0.987 343 K CA -0.842 55.449 56.287 0.007 0.000 0.857 343 K CB 1.911 34.422 32.500 0.018 0.000 1.154 343 K HN 0.442 nan 8.250 nan 0.000 0.439 344 K N 0.482 120.955 120.400 0.121 0.000 2.103 344 K HA -0.219 4.101 4.320 -0.000 0.000 0.207 344 K C 0.761 177.519 176.600 0.264 0.000 1.048 344 K CA 1.776 58.230 56.287 0.278 0.000 0.930 344 K CB -0.043 32.637 32.500 0.301 0.000 0.716 344 K HN 0.427 nan 8.250 nan 0.000 0.444 345 E N 1.447 121.739 120.200 0.154 0.000 2.265 345 E HA -0.128 4.222 4.350 -0.000 0.000 0.196 345 E C 1.404 178.069 176.600 0.108 0.000 0.996 345 E CA 1.191 57.670 56.400 0.132 0.000 0.832 345 E CB -0.115 29.635 29.700 0.084 0.000 0.756 345 E HN 0.375 nan 8.360 nan 0.000 0.491 346 D N 0.064 120.505 120.400 0.068 0.000 2.312 346 D HA -0.079 4.561 4.640 -0.000 0.000 0.211 346 D C 0.252 176.586 176.300 0.057 0.000 0.964 346 D CA 0.540 54.571 54.000 0.052 0.000 0.877 346 D CB 0.155 40.943 40.800 -0.020 0.000 0.924 346 D HN 0.149 nan 8.370 nan 0.000 0.515 347 I N 1.260 121.827 120.570 -0.005 0.000 2.396 347 I HA 0.077 4.247 4.170 -0.000 0.000 0.289 347 I C 1.439 177.543 176.117 -0.022 0.000 1.056 347 I CA -0.445 60.767 61.300 -0.146 0.000 1.365 347 I CB 0.835 38.445 38.000 -0.650 0.000 1.407 347 I HN -0.190 nan 8.210 nan 0.000 0.509 348 A N 7.032 129.842 122.820 -0.017 0.000 1.930 348 A HA 0.109 4.429 4.320 -0.000 0.000 0.215 348 A C 1.031 178.648 177.584 0.055 0.000 1.176 348 A CA 0.766 52.822 52.037 0.033 0.000 0.632 348 A CB 0.208 19.215 19.000 0.011 0.000 0.819 348 A HN 0.700 nan 8.150 nan 0.000 0.445 349 M N -0.970 118.614 119.600 -0.026 0.000 2.324 349 M HA 0.485 4.965 4.480 -0.000 0.000 0.288 349 M C -2.424 173.857 176.300 -0.031 0.000 1.097 349 M CA -0.473 54.858 55.300 0.052 0.000 0.928 349 M CB 1.533 34.150 32.600 0.029 0.000 1.648 349 M HN 0.302 nan 8.290 nan 0.000 0.460 350 W N 3.165 124.499 121.300 0.057 0.000 2.573 350 W HA 0.477 5.137 4.660 -0.000 0.000 0.326 350 W C -0.373 176.189 176.519 0.071 0.000 1.049 350 W CA -0.330 57.049 57.345 0.057 0.000 1.220 350 W CB 1.232 30.719 29.460 0.044 0.000 1.373 350 W HN 0.374 nan 8.180 nan 0.000 0.507 351 E N 2.897 123.265 120.200 0.279 0.000 2.149 351 E HA 0.299 4.649 4.350 -0.000 0.000 0.255 351 E C -1.138 175.580 176.600 0.196 0.000 0.888 351 E CA -0.605 55.922 56.400 0.212 0.000 0.742 351 E CB 1.735 31.535 29.700 0.166 0.000 1.164 351 E HN 0.157 nan 8.360 nan 0.000 0.422 352 V N 3.643 123.662 119.914 0.176 0.000 2.328 352 V HA 0.121 4.241 4.120 -0.000 0.000 0.278 352 V C 0.430 176.563 176.094 0.064 0.000 1.021 352 V CA -1.001 61.370 62.300 0.119 0.000 0.838 352 V CB 0.991 32.859 31.823 0.076 0.000 0.999 352 V HN 0.486 nan 8.190 nan 0.000 0.447 353 N N 3.838 122.562 118.700 0.040 0.000 2.359 353 N HA -0.059 4.681 4.740 -0.000 0.000 0.261 353 N C 0.529 176.003 175.510 -0.060 0.000 1.267 353 N CA 0.455 53.489 53.050 -0.027 0.000 0.864 353 N CB 0.477 38.925 38.487 -0.064 0.000 1.063 353 N HN 0.684 nan 8.380 nan 0.000 0.474 354 E N 2.891 123.039 120.200 -0.086 0.000 2.515 354 E HA 0.092 4.442 4.350 -0.000 0.000 0.315 354 E C 0.746 177.238 176.600 -0.180 0.000 1.523 354 E CA -0.336 56.025 56.400 -0.065 0.000 1.704 354 E CB -0.086 29.633 29.700 0.031 0.000 1.395 354 E HN 0.664 nan 8.360 nan 0.000 0.490 355 A N 1.494 124.191 122.820 -0.203 0.000 1.908 355 A HA -0.109 4.211 4.320 -0.000 0.000 0.218 355 A C 0.433 177.632 177.584 -0.642 0.000 1.181 355 A CA 1.251 53.082 52.037 -0.345 0.000 0.627 355 A CB -0.005 18.972 19.000 -0.037 0.000 0.818 355 A HN 0.353 nan 8.150 nan 0.000 0.445 356 F N -3.324 116.660 119.950 0.057 0.000 2.601 356 F HA 0.394 4.921 4.527 -0.000 0.000 0.309 356 F C 1.287 177.082 175.800 -0.008 0.000 1.089 356 F CA -0.417 57.619 58.000 0.061 0.000 0.940 356 F CB 1.593 40.633 39.000 0.068 0.000 1.273 356 F HN -0.119 nan 8.300 nan 0.000 0.450 357 S N 1.365 117.180 115.700 0.192 0.000 2.374 357 S HA -0.167 4.303 4.470 -0.000 0.000 0.227 357 S C 2.121 176.642 174.600 -0.131 0.000 1.037 357 S CA 1.127 59.339 58.200 0.019 0.000 1.024 357 S CB -0.238 63.098 63.200 0.226 0.000 0.861 357 S HN 0.667 nan 8.310 nan 0.000 0.456 358 L N 2.240 123.473 121.223 0.017 0.000 2.034 358 L HA -0.167 4.173 4.340 -0.000 0.000 0.217 358 L C 2.140 178.956 176.870 -0.091 0.000 1.077 358 L CA 1.981 56.796 54.840 -0.043 0.000 0.769 358 L CB -1.206 40.832 42.059 -0.034 0.000 0.890 358 L HN 0.217 nan 8.230 nan 0.000 0.435 359 V N -0.179 119.723 119.914 -0.020 0.000 2.255 359 V HA -0.303 3.817 4.120 -0.000 0.000 0.247 359 V C 2.767 178.782 176.094 -0.131 0.000 1.051 359 V CA 1.828 64.106 62.300 -0.037 0.000 1.018 359 V CB -0.592 31.291 31.823 0.100 0.000 0.641 359 V HN 0.374 nan 8.190 nan 0.000 0.445 360 V N -0.230 119.544 119.914 -0.234 0.000 2.343 360 V HA -0.254 3.866 4.120 -0.000 0.000 0.247 360 V C 2.296 178.190 176.094 -0.333 0.000 1.051 360 V CA 1.952 64.052 62.300 -0.335 0.000 1.036 360 V CB -0.676 30.785 31.823 -0.605 0.000 0.654 360 V HN 0.444 nan 8.190 nan 0.000 0.451 361 L N 0.324 121.328 121.223 -0.365 0.000 2.083 361 L HA -0.150 4.190 4.340 -0.000 0.000 0.209 361 L C 2.779 179.549 176.870 -0.167 0.000 1.083 361 L CA 1.524 56.227 54.840 -0.228 0.000 0.752 361 L CB -0.882 41.074 42.059 -0.172 0.000 0.899 361 L HN 0.357 nan 8.230 nan 0.000 0.433 362 A N 0.123 122.847 122.820 -0.160 0.000 1.908 362 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 362 A C 2.120 179.610 177.584 -0.158 0.000 1.181 362 A CA 1.912 53.862 52.037 -0.144 0.000 0.627 362 A CB -0.629 18.285 19.000 -0.143 0.000 0.818 362 A HN 0.486 nan 8.150 nan 0.000 0.445 363 N N -0.306 118.294 118.700 -0.168 0.000 2.171 363 N HA -0.066 4.674 4.740 -0.000 0.000 0.184 363 N C 1.790 177.166 175.510 -0.223 0.000 1.021 363 N CA 1.476 54.415 53.050 -0.186 0.000 0.854 363 N CB -0.237 38.155 38.487 -0.158 0.000 0.994 363 N HN 0.506 nan 8.380 nan 0.000 0.426 364 I N 1.715 122.156 120.570 -0.216 0.000 2.163 364 I HA -0.296 3.873 4.170 -0.000 0.000 0.243 364 I C 2.630 178.640 176.117 -0.178 0.000 1.085 364 I CA 1.221 62.390 61.300 -0.219 0.000 1.347 364 I CB -0.191 37.711 38.000 -0.164 0.000 1.044 364 I HN 0.145 nan 8.210 nan 0.000 0.408 365 K N 1.069 121.382 120.400 -0.145 0.000 2.002 365 K HA -0.193 4.127 4.320 -0.000 0.000 0.209 365 K C 2.217 178.746 176.600 -0.118 0.000 1.048 365 K CA 1.656 57.875 56.287 -0.114 0.000 0.930 365 K CB -0.070 32.372 32.500 -0.098 0.000 0.714 365 K HN 0.189 nan 8.250 nan 0.000 0.438 366 M N 0.482 120.000 119.600 -0.137 0.000 2.200 366 M HA -0.103 4.377 4.480 -0.000 0.000 0.265 366 M C 2.079 178.296 176.300 -0.138 0.000 1.066 366 M CA 1.285 56.503 55.300 -0.136 0.000 1.127 366 M CB -0.046 32.451 32.600 -0.172 0.000 1.379 366 M HN 0.157 nan 8.290 nan 0.000 0.420 367 L N -0.254 120.863 121.223 -0.177 0.000 2.270 367 L HA -0.024 4.315 4.340 -0.000 0.000 0.210 367 L C 0.213 176.989 176.870 -0.156 0.000 1.104 367 L CA 0.347 55.079 54.840 -0.181 0.000 0.804 367 L CB -0.214 41.670 42.059 -0.292 0.000 0.937 367 L HN 0.326 nan 8.230 nan 0.000 0.450 368 E N 1.072 121.177 120.200 -0.157 0.000 2.287 368 E HA -0.216 4.134 4.350 -0.000 0.000 0.229 368 E C -0.346 176.171 176.600 -0.138 0.000 1.194 368 E CA 0.313 56.640 56.400 -0.121 0.000 0.704 368 E CB -1.798 27.858 29.700 -0.074 0.000 1.216 368 E HN 0.585 nan 8.360 nan 0.000 0.381 369 I N -2.915 117.520 120.570 -0.225 0.000 2.822 369 I HA 0.481 4.651 4.170 -0.000 0.000 0.312 369 I C 0.457 176.465 176.117 -0.182 0.000 1.011 369 I CA -1.115 60.031 61.300 -0.257 0.000 1.105 369 I CB 1.170 38.800 38.000 -0.617 0.000 1.291 369 I HN -0.222 nan 8.210 nan 0.000 0.474 370 D N 4.782 125.117 120.400 -0.108 0.000 2.346 370 D HA 0.174 4.814 4.640 -0.000 0.000 0.260 370 D C -1.484 174.789 176.300 -0.044 0.000 1.252 370 D CA -2.294 51.681 54.000 -0.042 0.000 0.895 370 D CB 1.120 41.932 40.800 0.020 0.000 1.097 370 D HN 0.324 nan 8.370 nan 0.000 0.489 371 P HA -0.168 nan 4.420 nan 0.000 0.221 371 P C 0.904 178.226 177.300 0.037 0.000 1.145 371 P CA 0.853 63.953 63.100 0.001 0.000 0.795 371 P CB 0.390 32.103 31.700 0.022 0.000 0.775 372 Q N -0.136 119.684 119.800 0.034 0.000 2.436 372 Q HA -0.025 4.315 4.340 -0.000 0.000 0.209 372 Q C 1.423 177.467 176.000 0.074 0.000 0.965 372 Q CA 0.958 56.789 55.803 0.046 0.000 0.910 372 Q CB -0.205 28.554 28.738 0.036 0.000 0.980 372 Q HN 0.438 nan 8.270 nan 0.000 0.491 373 K N 0.069 120.529 120.400 0.101 0.000 2.372 373 K HA 0.204 4.524 4.320 -0.000 0.000 0.200 373 K C -0.323 176.422 176.600 0.243 0.000 1.022 373 K CA -0.046 56.351 56.287 0.183 0.000 1.125 373 K CB 1.213 33.877 32.500 0.272 0.000 0.855 373 K HN -0.130 nan 8.250 nan 0.000 0.524 374 V N 2.569 122.579 119.914 0.159 0.000 2.384 374 V HA 0.131 4.251 4.120 -0.000 0.000 0.287 374 V C -0.279 175.918 176.094 0.172 0.000 1.020 374 V CA -1.091 61.314 62.300 0.176 0.000 0.850 374 V CB 1.279 33.151 31.823 0.080 0.000 0.987 374 V HN 0.425 nan 8.190 nan 0.000 0.436 375 N N 2.904 121.717 118.700 0.189 0.000 2.705 375 N HA -0.220 4.520 4.740 -0.000 0.000 0.255 375 N C 0.928 176.499 175.510 0.101 0.000 1.008 375 N CA 1.190 54.330 53.050 0.151 0.000 0.742 375 N CB -0.673 37.918 38.487 0.173 0.000 0.906 375 N HN 0.931 nan 8.380 nan 0.000 0.541 376 I N -3.655 116.983 120.570 0.114 0.000 2.493 376 I HA -0.074 4.095 4.170 -0.000 0.000 0.254 376 I C 0.740 176.883 176.117 0.044 0.000 1.160 376 I CA 1.299 62.644 61.300 0.075 0.000 1.445 376 I CB -0.008 38.041 38.000 0.081 0.000 1.086 376 I HN -0.000 nan 8.210 nan 0.000 0.433 377 N N 1.795 120.527 118.700 0.052 0.000 2.389 377 N HA 0.336 5.076 4.740 -0.000 0.000 0.260 377 N C 0.502 176.014 175.510 0.002 0.000 1.191 377 N CA 0.806 53.856 53.050 -0.000 0.000 0.885 377 N CB 1.055 39.524 38.487 -0.030 0.000 1.162 377 N HN 0.645 nan 8.380 nan 0.000 0.512 378 G N -0.769 108.027 108.800 -0.006 0.000 2.660 378 G HA2 0.204 4.164 3.960 -0.000 0.000 0.247 378 G HA3 0.204 4.164 3.960 -0.000 0.000 0.247 378 G C -0.273 174.610 174.900 -0.029 0.000 1.328 378 G CA -0.548 44.536 45.100 -0.026 0.000 0.884 378 G HN 0.589 nan 8.290 nan 0.000 0.531 379 G N -3.112 105.660 108.800 -0.047 0.000 2.427 379 G HA2 0.731 4.691 3.960 -0.000 0.000 0.306 379 G HA3 0.731 4.691 3.960 -0.000 0.000 0.306 379 G C 0.925 175.785 174.900 -0.066 0.000 1.280 379 G CA 1.152 46.229 45.100 -0.039 0.000 0.837 379 G HN 2.161 nan 8.290 nan 0.000 0.482 380 A N -0.796 121.978 122.820 -0.078 0.000 2.076 380 A HA 0.135 4.455 4.320 -0.000 0.000 0.220 380 A C 2.434 179.963 177.584 -0.092 0.000 1.160 380 A CA 2.486 54.459 52.037 -0.107 0.000 0.653 380 A CB -0.518 18.327 19.000 -0.259 0.000 0.801 380 A HN 1.064 nan 8.150 nan 0.000 0.455 381 V N 0.432 120.297 119.914 -0.082 0.000 2.515 381 V HA -0.195 3.925 4.120 -0.000 0.000 0.250 381 V C 2.697 178.640 176.094 -0.252 0.000 1.058 381 V CA 2.321 64.577 62.300 -0.073 0.000 1.064 381 V CB -0.369 31.480 31.823 0.044 0.000 0.675 381 V HN 0.831 nan 8.190 nan 0.000 0.461 382 S N -1.790 113.671 115.700 -0.399 0.000 2.539 382 S HA 0.218 4.688 4.470 -0.000 0.000 0.226 382 S C 1.585 176.079 174.600 -0.176 0.000 1.054 382 S CA -0.004 57.765 58.200 -0.717 0.000 0.910 382 S CB 0.002 62.646 63.200 -0.927 0.000 0.818 382 S HN 0.426 nan 8.310 nan 0.000 0.490 383 L N 1.535 122.711 121.223 -0.078 0.000 2.477 383 L HA 0.408 4.748 4.340 -0.000 0.000 0.220 383 L C 1.351 178.241 176.870 0.033 0.000 1.106 383 L CA 0.451 55.304 54.840 0.021 0.000 0.851 383 L CB -0.657 41.395 42.059 -0.013 0.000 0.994 383 L HN 0.641 nan 8.230 nan 0.000 0.462 384 G N -0.066 108.744 108.800 0.018 0.000 2.661 384 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.685 384 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.685 384 G C -0.963 173.998 174.900 0.100 0.000 1.298 384 G CA -0.600 44.535 45.100 0.059 0.000 0.855 384 G HN 0.312 nan 8.290 nan 0.000 0.560 385 H N 0.817 119.871 119.070 -0.026 0.000 2.538 385 H HA 0.542 5.098 4.556 -0.000 0.000 0.239 385 H C -2.621 172.688 175.328 -0.032 0.000 1.401 385 H CA -1.980 54.043 56.048 -0.041 0.000 1.499 385 H CB 1.059 30.772 29.762 -0.082 0.000 1.624 385 H HN 0.382 nan 8.280 nan 0.000 0.524 386 P HA 0.085 nan 4.420 nan 0.000 0.274 386 P C 1.651 178.887 177.300 -0.106 0.000 1.291 386 P CA -0.176 62.898 63.100 -0.043 0.000 0.815 386 P CB 0.132 31.840 31.700 0.013 0.000 0.897 387 I N 1.065 121.467 120.570 -0.279 0.000 2.208 387 I HA -0.146 4.023 4.170 -0.000 0.000 0.245 387 I C 1.894 177.941 176.117 -0.118 0.000 1.097 387 I CA 1.912 62.975 61.300 -0.394 0.000 1.363 387 I CB -1.328 36.397 38.000 -0.457 0.000 1.051 387 I HN 0.240 nan 8.210 nan 0.000 0.413 388 G N 1.675 110.429 108.800 -0.076 0.000 2.598 388 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.215 388 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.215 388 G C 1.558 176.462 174.900 0.007 0.000 1.131 388 G CA 0.955 46.038 45.100 -0.028 0.000 0.785 388 G HN 0.653 nan 8.290 nan 0.000 0.539 389 M N -1.303 118.309 119.600 0.021 0.000 2.567 389 M HA 0.423 4.903 4.480 -0.000 0.000 0.261 389 M C 2.095 178.436 176.300 0.067 0.000 1.180 389 M CA 1.228 56.553 55.300 0.042 0.000 1.143 389 M CB 0.211 32.834 32.600 0.037 0.000 1.319 389 M HN -0.112 nan 8.290 nan 0.000 0.490 390 S N 1.459 117.224 115.700 0.107 0.000 2.370 390 S HA -0.017 4.453 4.470 -0.000 0.000 0.226 390 S C 2.031 176.680 174.600 0.082 0.000 1.033 390 S CA 1.577 59.849 58.200 0.120 0.000 1.011 390 S CB -1.211 62.118 63.200 0.216 0.000 0.852 390 S HN 0.784 nan 8.310 nan 0.000 0.457 391 G N 1.235 110.083 108.800 0.080 0.000 2.442 391 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.219 391 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.219 391 G C 1.508 176.440 174.900 0.054 0.000 1.141 391 G CA 1.006 46.142 45.100 0.061 0.000 0.763 391 G HN 0.591 nan 8.290 nan 0.000 0.554 392 A N 0.525 123.377 122.820 0.052 0.000 1.897 392 A HA 0.100 4.420 4.320 -0.000 0.000 0.215 392 A C 2.294 179.920 177.584 0.069 0.000 1.181 392 A CA 1.643 53.711 52.037 0.052 0.000 0.620 392 A CB -0.470 18.558 19.000 0.046 0.000 0.821 392 A HN 0.343 nan 8.150 nan 0.000 0.443 393 R N 0.583 121.127 120.500 0.073 0.000 2.096 393 R HA -0.197 4.143 4.340 -0.000 0.000 0.240 393 R C 2.109 178.478 176.300 0.116 0.000 1.139 393 R CA 2.285 58.436 56.100 0.086 0.000 0.952 393 R CB -0.668 29.669 30.300 0.061 0.000 0.854 393 R HN 0.707 nan 8.270 nan 0.000 0.436 394 I N -1.900 118.730 120.570 0.100 0.000 2.394 394 I HA -0.124 4.046 4.170 -0.000 0.000 0.251 394 I C 1.870 178.069 176.117 0.136 0.000 1.136 394 I CA 0.995 62.370 61.300 0.126 0.000 1.425 394 I CB -0.325 37.732 38.000 0.096 0.000 1.079 394 I HN -0.053 nan 8.210 nan 0.000 0.425 395 V N 2.471 122.444 119.914 0.098 0.000 2.307 395 V HA -0.121 3.999 4.120 -0.000 0.000 0.245 395 V C 2.939 179.079 176.094 0.078 0.000 1.045 395 V CA 2.140 64.484 62.300 0.074 0.000 1.024 395 V CB -1.521 30.331 31.823 0.049 0.000 0.651 395 V HN 0.627 nan 8.190 nan 0.000 0.449 396 G N -0.881 107.982 108.800 0.105 0.000 2.469 396 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.220 396 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.220 396 G C 1.470 176.509 174.900 0.232 0.000 1.136 396 G CA 1.505 46.693 45.100 0.145 0.000 0.759 396 G HN 0.645 nan 8.290 nan 0.000 0.562 397 H N 0.286 119.444 119.070 0.145 0.000 2.357 397 H HA 0.152 4.708 4.556 -0.000 0.000 0.301 397 H C 2.570 177.962 175.328 0.106 0.000 1.082 397 H CA 1.148 57.292 56.048 0.160 0.000 1.342 397 H CB -0.248 29.600 29.762 0.144 0.000 1.389 397 H HN 0.263 nan 8.280 nan 0.000 0.511 398 L N -0.490 120.744 121.223 0.018 0.000 2.012 398 L HA -0.235 4.105 4.340 -0.000 0.000 0.210 398 L C 2.420 179.223 176.870 -0.112 0.000 1.073 398 L CA 1.899 56.704 54.840 -0.059 0.000 0.748 398 L CB -0.765 41.293 42.059 -0.001 0.000 0.891 398 L HN 0.373 nan 8.230 nan 0.000 0.431 399 T N -1.837 112.656 114.554 -0.102 0.000 2.685 399 T HA -0.253 4.097 4.350 -0.000 0.000 0.268 399 T C 1.747 176.278 174.700 -0.281 0.000 1.034 399 T CA 1.550 63.532 62.100 -0.197 0.000 1.149 399 T CB -0.353 68.363 68.868 -0.254 0.000 0.860 399 T HN 0.411 nan 8.240 nan 0.000 0.449 400 H N 0.038 119.024 119.070 -0.139 0.000 2.384 400 H HA 0.334 4.890 4.556 -0.000 0.000 0.300 400 H C 2.571 177.770 175.328 -0.214 0.000 1.057 400 H CA 1.166 57.121 56.048 -0.156 0.000 1.370 400 H CB -0.238 29.444 29.762 -0.133 0.000 1.417 400 H HN 0.413 nan 8.280 nan 0.000 0.527 401 A N 1.282 123.972 122.820 -0.217 0.000 2.021 401 A HA 0.092 4.412 4.320 -0.000 0.000 0.216 401 A C 1.391 178.884 177.584 -0.153 0.000 1.163 401 A CA -0.082 51.803 52.037 -0.254 0.000 0.676 401 A CB -0.493 18.233 19.000 -0.455 0.000 0.818 401 A HN 0.122 nan 8.150 nan 0.000 0.453 402 L N 0.688 121.830 121.223 -0.136 0.000 2.483 402 L HA 0.063 4.402 4.340 -0.000 0.000 0.276 402 L C 0.288 177.102 176.870 -0.093 0.000 1.213 402 L CA 0.133 54.913 54.840 -0.101 0.000 0.843 402 L CB 0.469 42.468 42.059 -0.100 0.000 1.107 402 L HN 0.245 nan 8.230 nan 0.000 0.487 403 K N 1.905 122.257 120.400 -0.081 0.000 2.098 403 K HA 0.196 4.515 4.320 -0.000 0.000 0.261 403 K C -0.370 176.177 176.600 -0.088 0.000 0.987 403 K CA -0.700 55.542 56.287 -0.075 0.000 0.916 403 K CB 1.058 33.522 32.500 -0.059 0.000 1.039 403 K HN 0.462 nan 8.250 nan 0.000 0.455 404 Q N 0.636 120.386 119.800 -0.083 0.000 2.398 404 Q HA -0.162 4.178 4.340 -0.000 0.000 0.329 404 Q C 0.672 176.604 176.000 -0.114 0.000 1.079 404 Q CA 1.641 57.388 55.803 -0.093 0.000 1.041 404 Q CB -0.043 28.651 28.738 -0.074 0.000 1.084 404 Q HN 0.875 nan 8.270 nan 0.000 0.386 405 G N 3.069 111.777 108.800 -0.154 0.000 2.268 405 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.240 405 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.240 405 G C -0.185 174.536 174.900 -0.299 0.000 1.010 405 G CA 0.275 45.250 45.100 -0.208 0.000 0.618 405 G HN 0.661 nan 8.290 nan 0.000 0.516 406 E N -0.114 119.953 120.200 -0.221 0.000 2.383 406 E HA 0.458 4.808 4.350 -0.000 0.000 0.264 406 E C -0.623 175.827 176.600 -0.250 0.000 1.050 406 E CA -0.425 55.858 56.400 -0.195 0.000 0.896 406 E CB 0.516 30.157 29.700 -0.098 0.000 0.982 406 E HN 0.321 nan 8.360 nan 0.000 0.424 407 Y N 0.148 120.393 120.300 -0.092 0.000 2.320 407 Y HA 0.430 4.979 4.550 -0.000 0.000 0.334 407 Y C 0.757 176.555 175.900 -0.170 0.000 1.055 407 Y CA -0.385 57.641 58.100 -0.123 0.000 1.143 407 Y CB 1.861 40.240 38.460 -0.134 0.000 1.193 407 Y HN 0.486 nan 8.280 nan 0.000 0.477 408 G N 3.763 112.567 108.800 0.006 0.000 2.513 408 G HA2 0.585 4.545 3.960 -0.000 0.000 0.317 408 G HA3 0.585 4.545 3.960 -0.000 0.000 0.317 408 G C -1.950 172.859 174.900 -0.151 0.000 1.277 408 G CA -0.715 44.324 45.100 -0.102 0.000 0.955 408 G HN 0.629 nan 8.290 nan 0.000 0.484 409 L N 2.230 123.270 121.223 -0.305 0.000 2.325 409 L HA 0.777 5.117 4.340 -0.000 0.000 0.281 409 L C 0.197 177.025 176.870 -0.070 0.000 1.004 409 L CA -0.730 53.942 54.840 -0.279 0.000 0.823 409 L CB 1.536 43.214 42.059 -0.636 0.000 1.236 409 L HN 0.618 nan 8.230 nan 0.000 0.415 410 A N 3.361 126.194 122.820 0.021 0.000 2.330 410 A HA 0.828 5.148 4.320 -0.000 0.000 0.327 410 A C -0.603 177.046 177.584 0.108 0.000 1.155 410 A CA -0.318 51.773 52.037 0.088 0.000 0.803 410 A CB 1.415 20.462 19.000 0.079 0.000 1.208 410 A HN 0.680 nan 8.150 nan 0.000 0.477 411 S N 1.211 116.991 115.700 0.133 0.000 2.564 411 S HA 0.795 5.264 4.470 -0.000 0.000 0.274 411 S C -0.900 173.761 174.600 0.102 0.000 1.124 411 S CA -0.544 57.731 58.200 0.124 0.000 0.869 411 S CB 1.406 64.697 63.200 0.152 0.000 1.105 411 S HN 1.304 nan 8.310 nan 0.000 0.472 412 I N 2.082 122.709 120.570 0.094 0.000 2.611 412 I HA 0.410 4.580 4.170 -0.000 0.000 0.287 412 I C -0.290 175.887 176.117 0.101 0.000 1.184 412 I CA -0.691 60.659 61.300 0.083 0.000 1.054 412 I CB 0.924 38.965 38.000 0.069 0.000 1.257 412 I HN 1.221 nan 8.210 nan 0.000 0.435 413 C N 5.579 124.956 119.300 0.128 0.000 2.656 413 C HA 0.598 5.058 4.460 -0.000 0.000 0.391 413 C C -0.076 174.982 174.990 0.113 0.000 1.300 413 C CA -0.304 58.822 59.018 0.179 0.000 2.302 413 C CB 0.163 28.109 27.740 0.344 0.000 2.655 413 C HN 0.873 nan 8.230 nan 0.000 0.656 414 N N 0.660 119.406 118.700 0.076 0.000 2.277 414 N HA 0.423 5.163 4.740 -0.000 0.000 0.286 414 N C -0.293 175.139 175.510 -0.130 0.000 1.140 414 N CA -0.266 52.765 53.050 -0.032 0.000 0.799 414 N CB 1.752 40.241 38.487 0.003 0.000 1.596 414 N HN 1.095 nan 8.380 nan 0.000 0.473 415 G N -0.929 107.735 108.800 -0.227 0.000 2.224 415 G HA2 0.333 4.293 3.960 -0.000 0.000 0.239 415 G HA3 0.333 4.293 3.960 -0.000 0.000 0.239 415 G C 1.158 176.027 174.900 -0.051 0.000 1.240 415 G CA 0.561 45.521 45.100 -0.233 0.000 0.896 415 G HN 1.378 nan 8.290 nan 0.000 0.496 416 G N 0.482 109.306 108.800 0.039 0.000 2.218 416 G HA2 0.240 4.200 3.960 -0.000 0.000 0.216 416 G HA3 0.240 4.200 3.960 -0.000 0.000 0.216 416 G C 1.280 176.264 174.900 0.141 0.000 0.994 416 G CA 0.839 46.033 45.100 0.157 0.000 0.637 416 G HN 2.640 nan 8.290 nan 0.000 0.505 417 G N -1.070 107.829 108.800 0.165 0.000 2.154 417 G HA2 0.355 4.315 3.960 -0.000 0.000 0.186 417 G HA3 0.355 4.315 3.960 -0.000 0.000 0.186 417 G C 1.056 176.049 174.900 0.155 0.000 1.000 417 G CA 0.856 46.068 45.100 0.186 0.000 0.664 417 G HN 1.983 nan 8.290 nan 0.000 0.513 418 G N -0.754 108.127 108.800 0.134 0.000 2.488 418 G HA2 0.997 4.957 3.960 -0.000 0.000 0.318 418 G HA3 0.997 4.957 3.960 -0.000 0.000 0.318 418 G C -0.177 174.803 174.900 0.133 0.000 1.188 418 G CA 0.061 45.229 45.100 0.113 0.000 0.944 418 G HN 1.670 nan 8.290 nan 0.000 0.495 419 A N -0.454 122.437 122.820 0.118 0.000 2.604 419 A HA 0.782 5.102 4.320 -0.000 0.000 0.295 419 A C -0.498 177.147 177.584 0.102 0.000 1.067 419 A CA -0.496 51.610 52.037 0.116 0.000 0.683 419 A CB 1.491 20.571 19.000 0.132 0.000 1.281 419 A HN 0.920 nan 8.150 nan 0.000 0.407 420 S N -0.388 115.368 115.700 0.094 0.000 2.532 420 S HA 0.901 5.371 4.470 -0.000 0.000 0.301 420 S C -0.172 174.490 174.600 0.104 0.000 1.083 420 S CA 0.081 58.336 58.200 0.093 0.000 1.025 420 S CB 1.732 64.971 63.200 0.065 0.000 1.056 420 S HN 1.864 nan 8.310 nan 0.000 0.494 421 A N 2.198 125.091 122.820 0.122 0.000 2.556 421 A HA 0.901 5.221 4.320 -0.000 0.000 0.294 421 A C -1.179 176.494 177.584 0.149 0.000 1.091 421 A CA -0.693 51.417 52.037 0.122 0.000 0.704 421 A CB 1.685 20.756 19.000 0.119 0.000 1.300 421 A HN 0.813 nan 8.150 nan 0.000 0.406 422 M N 1.589 121.261 119.600 0.121 0.000 2.371 422 M HA 0.621 5.101 4.480 -0.000 0.000 0.287 422 M C -2.381 173.960 176.300 0.069 0.000 1.149 422 M CA -0.763 54.626 55.300 0.148 0.000 0.929 422 M CB 1.791 34.473 32.600 0.137 0.000 1.683 422 M HN 0.758 nan 8.290 nan 0.000 0.470 423 L N 6.852 128.111 121.223 0.059 0.000 2.296 423 L HA 0.775 5.115 4.340 -0.000 0.000 0.286 423 L C -1.171 175.737 176.870 0.063 0.000 1.023 423 L CA -0.386 54.457 54.840 0.006 0.000 0.812 423 L CB 1.419 43.442 42.059 -0.059 0.000 1.223 423 L HN 0.725 nan 8.230 nan 0.000 0.421 424 I N 1.316 121.925 120.570 0.064 0.000 2.846 424 I HA 0.646 4.816 4.170 -0.000 0.000 0.307 424 I C -1.084 175.087 176.117 0.090 0.000 1.053 424 I CA -0.756 60.585 61.300 0.068 0.000 1.050 424 I CB 2.020 40.036 38.000 0.026 0.000 1.239 424 I HN 0.750 nan 8.210 nan 0.000 0.439 425 Q N 3.356 123.169 119.800 0.021 0.000 2.330 425 Q HA 0.355 4.694 4.340 -0.000 0.000 0.269 425 Q C -1.127 174.792 176.000 -0.135 0.000 1.022 425 Q CA -0.954 54.772 55.803 -0.128 0.000 0.796 425 Q CB 1.752 30.327 28.738 -0.273 0.000 1.271 425 Q HN 0.530 nan 8.270 nan 0.000 0.450 426 K N 2.724 123.029 120.400 -0.159 0.000 2.436 426 K HA 0.102 4.422 4.320 -0.000 0.000 0.275 426 K C -0.278 176.243 176.600 -0.131 0.000 0.999 426 K CA 0.089 56.296 56.287 -0.134 0.000 0.980 426 K CB 0.393 32.814 32.500 -0.130 0.000 0.919 426 K HN 0.496 nan 8.250 nan 0.000 0.484 427 L N 0.000 121.161 121.223 -0.103 0.000 2.949 427 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 427 L CA 0.000 54.788 54.840 -0.087 0.000 0.813 427 L CB 0.000 42.017 42.059 -0.070 0.000 0.961 427 L HN 0.000 nan 8.230 nan 0.000 0.502