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 2ogw_1_B DATA FIRST_RESID 27 DATA SEQUENCE AVVASLKPVG FIASAIADGV TETEVLLPDG ASEHDYSLRP SDVKRLQNAD DATA SEQUENCE LVVWVGPEXE AFXQKPVSKL PGAKQVTIAQ LEDVKPLLXK XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXDFNXHLWL SPEIARATAV AIHGKLVELX PQSRAKLDAN DATA SEQUENCE LKDFEAQLAS TETQVGNELA PLKGKGYFVF HDAYGYFEKQ FGLTPLGHFT DATA SEQUENCE VNPEIQPGAQ RLHEIRTQLV EQKATcVFAE PQFRPAVVES VARGTSVRXG DATA SEQUENCE TLDPLGTNIK LGKTSYSEFL SQLANQYASc LK 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 27 A HA 0.000 nan 4.320 nan 0.000 0.244 27 A C 0.000 177.567 177.584 -0.028 0.000 1.274 27 A CA 0.000 52.024 52.037 -0.022 0.000 0.836 27 A CB 0.000 18.987 19.000 -0.021 0.000 0.831 28 V N 0.877 120.774 119.914 -0.028 0.000 2.439 28 V HA 0.511 4.631 4.120 -0.000 0.000 0.282 28 V C -0.202 175.869 176.094 -0.038 0.000 1.039 28 V CA -0.434 61.845 62.300 -0.034 0.000 0.913 28 V CB 1.401 33.204 31.823 -0.034 0.000 0.983 28 V HN 0.721 nan 8.190 nan 0.000 0.460 29 V N 4.678 124.566 119.914 -0.043 0.000 2.357 29 V HA 0.728 4.848 4.120 -0.000 0.000 0.284 29 V C 0.395 176.457 176.094 -0.053 0.000 1.018 29 V CA -0.428 61.842 62.300 -0.050 0.000 0.841 29 V CB 1.416 33.208 31.823 -0.052 0.000 0.991 29 V HN 0.980 nan 8.190 nan 0.000 0.437 30 A N 3.506 126.286 122.820 -0.066 0.000 2.324 30 A HA 0.656 4.976 4.320 -0.000 0.000 0.330 30 A C 1.189 178.720 177.584 -0.089 0.000 1.165 30 A CA 0.138 52.129 52.037 -0.077 0.000 0.813 30 A CB 1.349 20.280 19.000 -0.116 0.000 1.197 30 A HN 0.985 nan 8.150 nan 0.000 0.484 31 S N 2.356 118.022 115.700 -0.056 0.000 2.348 31 S HA -0.013 4.457 4.470 -0.000 0.000 0.221 31 S C 0.619 175.127 174.600 -0.153 0.000 1.033 31 S CA 0.944 59.121 58.200 -0.038 0.000 1.010 31 S CB -0.683 62.544 63.200 0.045 0.000 0.891 31 S HN 0.574 nan 8.310 nan 0.000 0.442 32 L N 0.520 121.566 121.223 -0.294 0.000 2.341 32 L HA 0.490 4.830 4.340 -0.000 0.000 0.267 32 L C 1.239 177.767 176.870 -0.571 0.000 1.009 32 L CA -0.866 53.690 54.840 -0.474 0.000 0.819 32 L CB 1.685 43.295 42.059 -0.749 0.000 1.323 32 L HN -0.014 nan 8.230 nan 0.000 0.425 33 K N 1.454 121.473 120.400 -0.634 0.000 2.032 33 K HA -0.119 4.201 4.320 -0.000 0.000 0.209 33 K C -0.916 174.888 176.600 -1.327 0.000 1.048 33 K CA 1.756 57.555 56.287 -0.813 0.000 0.927 33 K CB -0.495 31.581 32.500 -0.707 0.000 0.712 33 K HN 0.428 nan 8.250 nan 0.000 0.441 34 P HA -0.104 nan 4.420 nan 0.000 0.220 34 P C 1.160 178.205 177.300 -0.424 0.000 1.148 34 P CA 0.803 63.258 63.100 -1.076 0.000 0.803 34 P CB 0.165 31.372 31.700 -0.823 0.000 0.782 35 V N -0.029 119.609 119.914 -0.461 0.000 2.358 35 V HA -0.135 3.985 4.120 -0.000 0.000 0.246 35 V C 2.611 178.585 176.094 -0.199 0.000 1.047 35 V CA 2.437 64.597 62.300 -0.234 0.000 1.035 35 V CB -1.863 29.823 31.823 -0.228 0.000 0.658 35 V HN 0.156 nan 8.190 nan 0.000 0.452 36 G N -0.187 108.439 108.800 -0.289 0.000 2.442 36 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.219 36 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.219 36 G C 1.396 176.299 174.900 0.005 0.000 1.141 36 G CA 0.899 45.895 45.100 -0.173 0.000 0.763 36 G HN 0.412 nan 8.290 nan 0.000 0.554 37 F N 1.072 121.008 119.950 -0.024 0.000 2.095 37 F HA -0.001 4.526 4.527 -0.000 0.000 0.298 37 F C 2.680 178.530 175.800 0.083 0.000 1.104 37 F CA 0.147 58.201 58.000 0.090 0.000 1.232 37 F CB -1.044 38.092 39.000 0.226 0.000 0.987 37 F HN 0.099 nan 8.300 nan 0.000 0.475 38 I N 0.046 120.714 120.570 0.163 0.000 2.142 38 I HA -0.310 3.860 4.170 -0.000 0.000 0.240 38 I C 2.669 178.655 176.117 -0.217 0.000 1.078 38 I CA 1.409 62.615 61.300 -0.157 0.000 1.343 38 I CB -0.943 36.877 38.000 -0.300 0.000 1.046 38 I HN 0.080 nan 8.210 nan 0.000 0.405 39 A N 0.848 123.596 122.820 -0.120 0.000 1.908 39 A HA -0.259 4.061 4.320 -0.000 0.000 0.218 39 A C 2.497 180.047 177.584 -0.058 0.000 1.181 39 A CA 2.471 54.448 52.037 -0.100 0.000 0.627 39 A CB -0.977 17.983 19.000 -0.067 0.000 0.818 39 A HN 0.554 nan 8.150 nan 0.000 0.445 40 S N -0.124 115.580 115.700 0.008 0.000 2.423 40 S HA 0.131 4.600 4.470 -0.000 0.000 0.231 40 S C 1.995 176.622 174.600 0.046 0.000 1.014 40 S CA 1.179 59.406 58.200 0.044 0.000 0.965 40 S CB -0.523 62.738 63.200 0.101 0.000 0.785 40 S HN 0.881 nan 8.310 nan 0.000 0.495 41 A N 2.061 124.903 122.820 0.036 0.000 1.930 41 A HA 0.099 4.419 4.320 -0.000 0.000 0.217 41 A C 2.147 179.729 177.584 -0.002 0.000 1.175 41 A CA 1.399 53.472 52.037 0.060 0.000 0.627 41 A CB -0.546 18.528 19.000 0.122 0.000 0.815 41 A HN 0.535 nan 8.150 nan 0.000 0.443 42 I N -0.456 120.058 120.570 -0.093 0.000 2.406 42 I HA -0.041 4.128 4.170 -0.000 0.000 0.249 42 I C 2.548 178.662 176.117 -0.005 0.000 1.122 42 I CA 1.200 62.469 61.300 -0.052 0.000 1.431 42 I CB -1.550 36.393 38.000 -0.095 0.000 1.087 42 I HN 0.310 nan 8.210 nan 0.000 0.424 43 A N 0.044 122.855 122.820 -0.015 0.000 2.251 43 A HA -0.052 4.268 4.320 -0.000 0.000 0.209 43 A C 0.686 178.276 177.584 0.010 0.000 1.187 43 A CA -0.094 51.940 52.037 -0.006 0.000 0.823 43 A CB -0.822 18.169 19.000 -0.015 0.000 0.846 43 A HN 0.334 nan 8.150 nan 0.000 0.486 44 D N -0.601 119.813 120.400 0.024 0.000 2.450 44 D HA 0.362 5.002 4.640 -0.000 0.000 0.247 44 D C 1.416 177.733 176.300 0.028 0.000 1.162 44 D CA 1.636 55.655 54.000 0.032 0.000 0.879 44 D CB 0.220 41.048 40.800 0.048 0.000 1.163 44 D HN 0.431 nan 8.370 nan 0.000 0.472 45 G N 1.912 110.725 108.800 0.022 0.000 2.168 45 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.263 45 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.263 45 G C 0.855 175.762 174.900 0.012 0.000 0.977 45 G CA 0.517 45.627 45.100 0.018 0.000 0.659 45 G HN 0.478 nan 8.290 nan 0.000 0.533 46 V N -1.394 118.525 119.914 0.008 0.000 2.948 46 V HA 0.501 4.621 4.120 -0.000 0.000 0.234 46 V C 1.156 177.247 176.094 -0.004 0.000 1.205 46 V CA 1.914 64.214 62.300 0.001 0.000 1.234 46 V CB 1.090 32.911 31.823 -0.003 0.000 1.020 46 V HN 0.627 nan 8.190 nan 0.000 0.491 47 T N -0.867 113.684 114.554 -0.005 0.000 2.816 47 T HA 0.373 4.723 4.350 -0.000 0.000 0.299 47 T C -1.518 173.180 174.700 -0.004 0.000 1.230 47 T CA -0.583 61.512 62.100 -0.007 0.000 1.007 47 T CB 1.914 70.774 68.868 -0.015 0.000 1.289 47 T HN 0.180 nan 8.240 nan 0.000 0.508 48 E N 1.415 121.612 120.200 -0.005 0.000 2.349 48 E HA 0.405 4.755 4.350 -0.000 0.000 0.262 48 E C -0.473 176.123 176.600 -0.007 0.000 1.088 48 E CA -0.179 56.219 56.400 -0.002 0.000 0.899 48 E CB 1.181 30.879 29.700 -0.003 0.000 1.044 48 E HN 0.576 nan 8.360 nan 0.000 0.420 49 T N 2.146 116.699 114.554 -0.002 0.000 2.797 49 T HA 0.348 4.698 4.350 -0.000 0.000 0.279 49 T C -0.295 174.396 174.700 -0.015 0.000 0.991 49 T CA -0.676 61.418 62.100 -0.010 0.000 0.979 49 T CB 1.062 69.930 68.868 -0.000 0.000 0.943 49 T HN 0.242 nan 8.240 nan 0.000 0.444 50 E N 1.426 121.608 120.200 -0.030 0.000 2.227 50 E HA 0.645 4.994 4.350 -0.000 0.000 0.268 50 E C -1.035 175.528 176.600 -0.062 0.000 0.907 50 E CA -0.977 55.400 56.400 -0.038 0.000 0.786 50 E CB 2.260 31.940 29.700 -0.034 0.000 1.191 50 E HN 0.234 nan 8.360 nan 0.000 0.411 51 V N 3.477 123.345 119.914 -0.077 0.000 2.555 51 V HA 0.165 4.285 4.120 -0.000 0.000 0.302 51 V C 0.980 177.009 176.094 -0.108 0.000 1.038 51 V CA -0.407 61.821 62.300 -0.119 0.000 0.887 51 V CB 1.481 33.202 31.823 -0.171 0.000 0.991 51 V HN 0.727 nan 8.190 nan 0.000 0.434 52 L N 3.126 124.286 121.223 -0.106 0.000 2.049 52 L HA 0.091 4.430 4.340 -0.000 0.000 0.203 52 L C 1.061 177.825 176.870 -0.178 0.000 1.074 52 L CA 1.023 55.818 54.840 -0.076 0.000 0.749 52 L CB 0.021 42.084 42.059 0.008 0.000 0.907 52 L HN 0.463 nan 8.230 nan 0.000 0.439 53 L N 2.306 123.346 121.223 -0.305 0.000 2.385 53 L HA 0.247 4.587 4.340 -0.000 0.000 0.281 53 L C -2.137 174.502 176.870 -0.386 0.000 1.106 53 L CA -1.558 52.940 54.840 -0.570 0.000 0.856 53 L CB 0.097 41.828 42.059 -0.547 0.000 1.186 53 L HN -0.181 nan 8.230 nan 0.000 0.453 54 P HA 0.019 nan 4.420 nan 0.000 0.268 54 P C -1.002 176.194 177.300 -0.173 0.000 1.208 54 P CA -0.157 62.835 63.100 -0.180 0.000 0.777 54 P CB 0.339 31.979 31.700 -0.099 0.000 0.875 55 D N 1.067 121.397 120.400 -0.117 0.000 2.493 55 D HA 0.215 4.855 4.640 -0.000 0.000 0.240 55 D C 1.644 177.895 176.300 -0.082 0.000 1.142 55 D CA 1.948 55.894 54.000 -0.089 0.000 0.872 55 D CB 0.047 40.818 40.800 -0.049 0.000 1.173 55 D HN 0.672 nan 8.370 nan 0.000 0.467 56 G N 1.131 109.881 108.800 -0.083 0.000 2.241 56 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.244 56 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.244 56 G C 0.519 175.343 174.900 -0.127 0.000 0.998 56 G CA 0.325 45.370 45.100 -0.092 0.000 0.621 56 G HN 0.867 nan 8.290 nan 0.000 0.519 57 A N -0.138 122.601 122.820 -0.136 0.000 2.304 57 A HA 0.812 5.132 4.320 -0.000 0.000 0.271 57 A C 0.570 178.067 177.584 -0.145 0.000 1.091 57 A CA 0.969 52.917 52.037 -0.148 0.000 0.812 57 A CB 1.155 20.029 19.000 -0.210 0.000 1.056 57 A HN 1.637 nan 8.150 nan 0.000 0.489 58 S N -0.446 115.204 115.700 -0.083 0.000 2.502 58 S HA 0.349 4.819 4.470 -0.000 0.000 0.304 58 S C 0.805 175.421 174.600 0.027 0.000 1.097 58 S CA -0.260 57.964 58.200 0.040 0.000 1.045 58 S CB 1.045 64.373 63.200 0.213 0.000 1.019 58 S HN 0.753 nan 8.310 nan 0.000 0.481 59 E N 4.043 124.234 120.200 -0.016 0.000 2.515 59 E HA -0.143 4.207 4.350 -0.000 0.000 0.201 59 E C 0.302 176.948 176.600 0.076 0.000 1.071 59 E CA 1.001 57.439 56.400 0.064 0.000 0.880 59 E CB -0.456 29.314 29.700 0.116 0.000 0.828 59 E HN 0.805 nan 8.360 nan 0.000 0.540 60 H N 0.268 119.508 119.070 0.285 0.000 2.551 60 H HA 0.125 4.681 4.556 -0.000 0.000 0.266 60 H C -0.134 175.336 175.328 0.237 0.000 0.977 60 H CA 0.946 57.150 56.048 0.259 0.000 1.163 60 H CB 0.424 30.316 29.762 0.216 0.000 1.381 60 H HN 0.214 nan 8.280 nan 0.000 0.581 61 D N -0.236 120.338 120.400 0.290 0.000 2.714 61 D HA 0.105 4.745 4.640 -0.000 0.000 0.264 61 D C -1.596 174.798 176.300 0.157 0.000 1.231 61 D CA -0.319 53.810 54.000 0.215 0.000 0.802 61 D CB -0.138 40.800 40.800 0.230 0.000 1.319 61 D HN -0.012 nan 8.370 nan 0.000 0.528 62 Y N 0.228 120.460 120.300 -0.114 0.000 2.544 62 Y HA 0.651 5.201 4.550 -0.000 0.000 0.342 62 Y C -1.400 174.269 175.900 -0.385 0.000 1.062 62 Y CA -0.701 57.179 58.100 -0.366 0.000 1.023 62 Y CB 2.189 40.210 38.460 -0.732 0.000 1.308 62 Y HN 0.035 nan 8.280 nan 0.000 0.457 63 S N 4.606 119.700 115.700 -1.010 0.000 2.538 63 S HA 0.558 5.028 4.470 -0.000 0.000 0.288 63 S C -1.170 172.881 174.600 -0.914 0.000 1.108 63 S CA -0.830 56.976 58.200 -0.658 0.000 0.971 63 S CB 1.286 64.280 63.200 -0.343 0.000 1.041 63 S HN 0.628 nan 8.310 nan 0.000 0.483 64 L N 2.995 123.985 121.223 -0.389 0.000 2.514 64 L HA 0.147 4.487 4.340 -0.000 0.000 0.280 64 L C 1.005 177.749 176.870 -0.211 0.000 1.223 64 L CA 0.080 54.806 54.840 -0.190 0.000 0.864 64 L CB 0.148 42.227 42.059 0.033 0.000 1.118 64 L HN 0.523 nan 8.230 nan 0.000 0.494 65 R N 3.562 123.982 120.500 -0.133 0.000 2.643 65 R HA 0.038 4.378 4.340 -0.000 0.000 0.270 65 R C -1.469 174.798 176.300 -0.056 0.000 1.061 65 R CA -1.350 54.697 56.100 -0.088 0.000 1.107 65 R CB -0.053 30.227 30.300 -0.033 0.000 0.999 65 R HN 0.401 nan 8.270 nan 0.000 0.460 66 P HA -0.241 nan 4.420 nan 0.000 0.217 66 P C 1.011 178.295 177.300 -0.027 0.000 1.148 66 P CA 1.603 64.681 63.100 -0.037 0.000 0.834 66 P CB 0.159 31.838 31.700 -0.035 0.000 0.783 67 S N -1.776 113.910 115.700 -0.023 0.000 2.453 67 S HA -0.116 4.354 4.470 -0.000 0.000 0.231 67 S C 1.596 176.187 174.600 -0.016 0.000 1.005 67 S CA 0.937 59.126 58.200 -0.018 0.000 0.949 67 S CB -1.055 62.136 63.200 -0.015 0.000 0.774 67 S HN 0.071 nan 8.310 nan 0.000 0.510 68 D N 2.189 122.584 120.400 -0.009 0.000 2.182 68 D HA -0.103 4.537 4.640 -0.000 0.000 0.201 68 D C 2.244 178.535 176.300 -0.016 0.000 0.986 68 D CA 1.463 55.463 54.000 -0.000 0.000 0.847 68 D CB -0.543 40.275 40.800 0.030 0.000 0.942 68 D HN 0.545 nan 8.370 nan 0.000 0.467 69 V N -0.472 119.429 119.914 -0.023 0.000 2.307 69 V HA -0.181 3.939 4.120 -0.000 0.000 0.245 69 V C 2.284 178.355 176.094 -0.038 0.000 1.045 69 V CA 1.530 63.809 62.300 -0.036 0.000 1.024 69 V CB -0.674 31.128 31.823 -0.035 0.000 0.651 69 V HN 0.002 nan 8.190 nan 0.000 0.449 70 K N 0.299 120.681 120.400 -0.030 0.000 2.097 70 K HA -0.221 4.099 4.320 -0.000 0.000 0.206 70 K C 2.527 179.108 176.600 -0.031 0.000 1.049 70 K CA 1.886 58.156 56.287 -0.029 0.000 0.933 70 K CB -0.154 32.332 32.500 -0.024 0.000 0.717 70 K HN 0.481 nan 8.250 nan 0.000 0.442 71 R N 0.505 120.988 120.500 -0.029 0.000 2.075 71 R HA -0.050 4.290 4.340 -0.000 0.000 0.232 71 R C 2.291 178.566 176.300 -0.042 0.000 1.126 71 R CA 1.063 57.144 56.100 -0.031 0.000 0.963 71 R CB -0.133 30.152 30.300 -0.024 0.000 0.858 71 R HN 0.154 nan 8.270 nan 0.000 0.435 72 L N 0.259 121.451 121.223 -0.052 0.000 2.027 72 L HA -0.198 4.142 4.340 -0.000 0.000 0.206 72 L C 2.533 179.361 176.870 -0.071 0.000 1.074 72 L CA 1.542 56.336 54.840 -0.076 0.000 0.745 72 L CB -0.412 41.584 42.059 -0.104 0.000 0.898 72 L HN 0.284 nan 8.230 nan 0.000 0.433 73 Q N -0.173 119.591 119.800 -0.059 0.000 2.124 73 Q HA -0.188 4.152 4.340 -0.000 0.000 0.202 73 Q C 1.767 177.742 176.000 -0.042 0.000 0.977 73 Q CA 1.635 57.407 55.803 -0.050 0.000 0.850 73 Q CB -0.239 28.474 28.738 -0.042 0.000 0.901 73 Q HN 0.593 nan 8.270 nan 0.000 0.429 74 N N 0.141 118.818 118.700 -0.038 0.000 2.446 74 N HA 0.099 4.839 4.740 -0.000 0.000 0.179 74 N C -0.015 175.475 175.510 -0.034 0.000 1.054 74 N CA -0.207 52.824 53.050 -0.032 0.000 0.905 74 N CB 0.199 38.669 38.487 -0.027 0.000 0.973 74 N HN 0.109 nan 8.380 nan 0.000 0.448 75 A N 1.259 124.055 122.820 -0.040 0.000 2.531 75 A HA -0.052 4.268 4.320 -0.000 0.000 0.236 75 A C 0.773 178.335 177.584 -0.037 0.000 1.062 75 A CA 0.036 52.049 52.037 -0.040 0.000 0.760 75 A CB 0.307 19.278 19.000 -0.049 0.000 0.995 75 A HN 0.158 nan 8.150 nan 0.000 0.501 76 D N -0.242 120.138 120.400 -0.033 0.000 2.117 76 D HA -0.032 4.608 4.640 -0.000 0.000 0.197 76 D C 0.205 176.485 176.300 -0.033 0.000 0.987 76 D CA 1.666 55.647 54.000 -0.031 0.000 0.829 76 D CB -0.004 40.778 40.800 -0.029 0.000 0.961 76 D HN 0.381 nan 8.370 nan 0.000 0.460 77 L N 0.008 121.210 121.223 -0.035 0.000 2.513 77 L HA 0.292 4.632 4.340 -0.000 0.000 0.261 77 L C -1.480 175.368 176.870 -0.036 0.000 0.945 77 L CA -0.639 54.181 54.840 -0.032 0.000 0.848 77 L CB 2.422 44.464 42.059 -0.029 0.000 1.334 77 L HN -0.354 nan 8.230 nan 0.000 0.407 78 V N 4.855 124.746 119.914 -0.038 0.000 2.435 78 V HA 0.680 4.800 4.120 -0.000 0.000 0.290 78 V C -0.582 175.525 176.094 0.022 0.000 1.030 78 V CA -0.621 61.650 62.300 -0.048 0.000 0.881 78 V CB 1.807 33.554 31.823 -0.128 0.000 0.983 78 V HN 0.528 nan 8.190 nan 0.000 0.445 79 V N 5.054 124.995 119.914 0.044 0.000 2.444 79 V HA 0.680 4.800 4.120 -0.000 0.000 0.294 79 V C -0.743 175.479 176.094 0.213 0.000 1.022 79 V CA -0.415 61.953 62.300 0.113 0.000 0.850 79 V CB 1.617 33.452 31.823 0.020 0.000 0.992 79 V HN 0.996 nan 8.190 nan 0.000 0.426 80 W N 3.642 124.889 121.300 -0.089 0.000 3.025 80 W HA 0.652 5.311 4.660 -0.000 0.000 0.343 80 W C -0.249 176.227 176.519 -0.073 0.000 1.246 80 W CA -0.987 56.297 57.345 -0.102 0.000 1.178 80 W CB 0.545 29.934 29.460 -0.118 0.000 1.463 80 W HN 0.213 nan 8.180 nan 0.000 0.578 81 V N 2.113 121.891 119.914 -0.227 0.000 2.283 81 V HA 0.355 4.475 4.120 -0.000 0.000 0.243 81 V C 1.206 176.823 176.094 -0.795 0.000 1.039 81 V CA 2.784 64.868 62.300 -0.359 0.000 1.016 81 V CB -1.118 30.642 31.823 -0.105 0.000 0.650 81 V HN 1.197 nan 8.190 nan 0.000 0.449 82 G N -1.440 106.608 108.800 -1.253 0.000 2.369 82 G HA2 0.115 4.075 3.960 -0.000 0.000 0.293 82 G HA3 0.115 4.075 3.960 -0.000 0.000 0.293 82 G C -2.635 171.632 174.900 -1.055 0.000 1.301 82 G CA 0.067 44.127 45.100 -1.733 0.000 0.913 82 G HN -0.022 nan 8.290 nan 0.000 0.540 83 P HA -0.029 nan 4.420 nan 0.000 0.221 83 P C 0.550 177.822 177.300 -0.047 0.000 1.145 83 P CA 1.123 64.198 63.100 -0.041 0.000 0.795 83 P CB 0.147 31.875 31.700 0.047 0.000 0.775 87 A N 1.013 123.706 122.820 -0.212 0.000 2.019 87 A HA 0.002 4.322 4.320 -0.000 0.000 0.219 87 A C 0.964 178.520 177.584 -0.047 0.000 1.164 87 A CA 0.895 52.915 52.037 -0.029 0.000 0.644 87 A CB -0.835 18.202 19.000 0.061 0.000 0.805 87 A HN 0.483 nan 8.150 nan 0.000 0.449 91 K N 1.175 121.535 120.400 -0.067 0.000 1.984 91 K HA -0.028 4.292 4.320 -0.000 0.000 0.209 91 K C -1.110 175.438 176.600 -0.088 0.000 1.046 91 K CA 1.705 57.962 56.287 -0.050 0.000 0.934 91 K CB -0.260 32.227 32.500 -0.021 0.000 0.717 91 K HN 0.200 nan 8.250 nan 0.000 0.438 92 P HA -0.114 nan 4.420 nan 0.000 0.218 92 P C 1.364 178.553 177.300 -0.185 0.000 1.149 92 P CA 1.079 64.103 63.100 -0.127 0.000 0.817 92 P CB 0.020 31.650 31.700 -0.116 0.000 0.785 93 V N 1.301 121.027 119.914 -0.314 0.000 2.515 93 V HA -0.188 3.932 4.120 -0.000 0.000 0.250 93 V C 2.833 178.808 176.094 -0.199 0.000 1.058 93 V CA 2.271 64.330 62.300 -0.402 0.000 1.064 93 V CB -1.662 29.587 31.823 -0.957 0.000 0.675 93 V HN 0.295 nan 8.190 nan 0.000 0.461 94 S N 0.282 115.908 115.700 -0.123 0.000 2.442 94 S HA -0.199 4.271 4.470 -0.000 0.000 0.236 94 S C 1.764 176.344 174.600 -0.033 0.000 1.007 94 S CA 1.221 59.403 58.200 -0.031 0.000 0.965 94 S CB -0.377 62.821 63.200 -0.003 0.000 0.773 94 S HN 0.665 nan 8.310 nan 0.000 0.504 95 K N 0.477 120.842 120.400 -0.057 0.000 2.400 95 K HA 0.316 4.636 4.320 -0.000 0.000 0.194 95 K C 0.035 176.608 176.600 -0.044 0.000 1.033 95 K CA 0.021 56.282 56.287 -0.043 0.000 1.021 95 K CB -0.066 32.407 32.500 -0.045 0.000 0.808 95 K HN 0.388 nan 8.250 nan 0.000 0.505 96 L N 2.628 123.815 121.223 -0.060 0.000 2.349 96 L HA 0.231 4.571 4.340 -0.000 0.000 0.275 96 L C -2.296 174.557 176.870 -0.029 0.000 1.115 96 L CA -2.372 52.436 54.840 -0.054 0.000 0.820 96 L CB 0.353 42.362 42.059 -0.083 0.000 1.135 96 L HN -0.241 nan 8.230 nan 0.000 0.445 97 P HA -0.014 nan 4.420 nan 0.000 0.266 97 P C 0.823 178.122 177.300 -0.001 0.000 1.195 97 P CA 0.085 63.179 63.100 -0.010 0.000 0.768 97 P CB 0.803 32.496 31.700 -0.012 0.000 0.838 98 G N 2.795 111.601 108.800 0.010 0.000 2.485 98 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.221 98 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.221 98 G C 1.463 176.371 174.900 0.013 0.000 1.115 98 G CA 0.859 45.972 45.100 0.021 0.000 0.751 98 G HN 0.577 nan 8.290 nan 0.000 0.567 99 A N 0.009 122.831 122.820 0.003 0.000 2.070 99 A HA 0.054 4.374 4.320 -0.000 0.000 0.220 99 A C 2.096 179.675 177.584 -0.008 0.000 1.159 99 A CA 1.603 53.637 52.037 -0.004 0.000 0.656 99 A CB -0.148 18.848 19.000 -0.008 0.000 0.800 99 A HN 0.388 nan 8.150 nan 0.000 0.453 100 K N -0.722 119.672 120.400 -0.009 0.000 2.414 100 K HA 0.123 4.443 4.320 -0.000 0.000 0.204 100 K C -0.102 176.490 176.600 -0.013 0.000 1.026 100 K CA 0.033 56.309 56.287 -0.018 0.000 1.108 100 K CB 0.322 32.805 32.500 -0.028 0.000 0.855 100 K HN 0.840 nan 8.250 nan 0.000 0.517 101 Q N -1.129 118.677 119.800 0.010 0.000 2.418 101 Q HA 0.456 4.796 4.340 -0.000 0.000 0.282 101 Q C -1.297 174.749 176.000 0.077 0.000 1.044 101 Q CA -1.044 54.785 55.803 0.043 0.000 0.813 101 Q CB 2.066 30.832 28.738 0.047 0.000 1.428 101 Q HN -0.188 nan 8.270 nan 0.000 0.402 102 V N 1.908 121.890 119.914 0.114 0.000 2.407 102 V HA 0.401 4.521 4.120 -0.000 0.000 0.291 102 V C -0.673 175.513 176.094 0.154 0.000 1.018 102 V CA -0.445 61.910 62.300 0.092 0.000 0.842 102 V CB 1.733 33.579 31.823 0.039 0.000 0.996 102 V HN 0.923 nan 8.190 nan 0.000 0.426 103 T N 6.573 121.172 114.554 0.075 0.000 2.910 103 T HA 0.411 4.761 4.350 -0.000 0.000 0.323 103 T C 1.458 176.039 174.700 -0.198 0.000 1.091 103 T CA -0.167 61.852 62.100 -0.135 0.000 0.960 103 T CB 0.621 69.454 68.868 -0.059 0.000 1.024 103 T HN 0.411 nan 8.240 nan 0.000 0.509 104 I N 1.955 122.385 120.570 -0.233 0.000 2.163 104 I HA -0.217 3.953 4.170 -0.000 0.000 0.243 104 I C 2.722 178.727 176.117 -0.186 0.000 1.085 104 I CA 1.281 62.483 61.300 -0.164 0.000 1.347 104 I CB -0.313 37.608 38.000 -0.132 0.000 1.044 104 I HN 0.643 nan 8.210 nan 0.000 0.408 105 A N -0.226 122.442 122.820 -0.254 0.000 2.125 105 A HA -0.190 4.130 4.320 -0.000 0.000 0.219 105 A C 2.067 179.538 177.584 -0.189 0.000 1.156 105 A CA 1.296 53.198 52.037 -0.225 0.000 0.671 105 A CB -0.426 18.427 19.000 -0.245 0.000 0.794 105 A HN 0.550 nan 8.150 nan 0.000 0.459 106 Q N -0.630 119.066 119.800 -0.173 0.000 2.282 106 Q HA 0.325 4.665 4.340 -0.000 0.000 0.206 106 Q C -0.437 175.511 176.000 -0.087 0.000 0.878 106 Q CA -0.356 55.375 55.803 -0.119 0.000 0.944 106 Q CB 0.248 28.928 28.738 -0.097 0.000 1.100 106 Q HN 0.563 nan 8.270 nan 0.000 0.509 107 L N 1.675 122.844 121.223 -0.090 0.000 2.453 107 L HA -0.009 4.331 4.340 -0.000 0.000 0.272 107 L C 1.471 178.304 176.870 -0.060 0.000 1.182 107 L CA -0.356 54.446 54.840 -0.063 0.000 0.858 107 L CB 0.554 42.577 42.059 -0.060 0.000 1.120 107 L HN 0.146 nan 8.230 nan 0.000 0.474 108 E N 1.408 121.582 120.200 -0.042 0.000 2.130 108 E HA -0.208 4.142 4.350 -0.000 0.000 0.196 108 E C 1.153 177.729 176.600 -0.041 0.000 0.998 108 E CA 1.388 57.765 56.400 -0.038 0.000 0.806 108 E CB 0.040 29.725 29.700 -0.024 0.000 0.738 108 E HN 0.615 nan 8.360 nan 0.000 0.459 109 D N -0.250 120.129 120.400 -0.036 0.000 2.348 109 D HA -0.046 4.594 4.640 -0.000 0.000 0.216 109 D C 1.772 178.043 176.300 -0.047 0.000 0.970 109 D CA 0.248 54.228 54.000 -0.033 0.000 0.889 109 D CB 0.366 41.154 40.800 -0.020 0.000 0.912 109 D HN 0.040 nan 8.370 nan 0.000 0.524 110 V N 0.449 120.322 119.914 -0.068 0.000 2.672 110 V HA -0.067 4.053 4.120 -0.000 0.000 0.242 110 V C 2.204 178.225 176.094 -0.122 0.000 1.059 110 V CA 0.540 62.785 62.300 -0.092 0.000 1.081 110 V CB -0.002 31.754 31.823 -0.111 0.000 0.752 110 V HN 0.031 nan 8.190 nan 0.000 0.472 111 K N 0.622 120.943 120.400 -0.132 0.000 2.077 111 K HA -0.229 4.091 4.320 -0.000 0.000 0.213 111 K C -0.163 176.330 176.600 -0.178 0.000 1.051 111 K CA 2.289 58.469 56.287 -0.179 0.000 0.929 111 K CB -1.514 30.901 32.500 -0.141 0.000 0.715 111 K HN 0.430 nan 8.250 nan 0.000 0.451 112 P HA -0.142 nan 4.420 nan 0.000 0.218 112 P C 1.005 178.274 177.300 -0.050 0.000 1.148 112 P CA 1.197 64.258 63.100 -0.065 0.000 0.822 112 P CB 0.035 31.712 31.700 -0.038 0.000 0.784 113 L N -2.397 118.798 121.223 -0.046 0.000 2.509 113 L HA 0.068 4.408 4.340 -0.000 0.000 0.222 113 L C 1.356 178.286 176.870 0.100 0.000 1.123 113 L CA -0.144 54.709 54.840 0.022 0.000 0.856 113 L CB -0.578 41.496 42.059 0.025 0.000 0.985 113 L HN -0.019 nan 8.230 nan 0.000 0.456 140 F N 1.581 121.549 119.950 0.031 0.000 2.508 140 F HA 0.441 4.968 4.527 -0.000 0.000 0.325 140 F C 0.832 176.679 175.800 0.079 0.000 1.090 140 F CA -0.990 57.041 58.000 0.051 0.000 0.945 140 F CB 1.146 40.181 39.000 0.057 0.000 1.156 140 F HN -0.225 nan 8.300 nan 0.000 0.463 144 L N -0.484 120.377 121.223 -0.603 0.000 2.240 144 L HA -0.058 4.282 4.340 -0.000 0.000 0.211 144 L C 1.984 178.706 176.870 -0.246 0.000 1.106 144 L CA 1.182 55.674 54.840 -0.581 0.000 0.793 144 L CB -0.338 41.517 42.059 -0.340 0.000 0.927 144 L HN 0.603 nan 8.230 nan 0.000 0.446 145 W N -0.302 121.020 121.300 0.037 0.000 2.699 145 W HA 0.020 4.680 4.660 -0.000 0.000 0.249 145 W C 1.438 178.246 176.519 0.481 0.000 1.280 145 W CA 0.099 57.569 57.345 0.208 0.000 1.345 145 W CB -0.753 28.814 29.460 0.179 0.000 1.128 145 W HN -0.064 nan 8.180 nan 0.000 0.642 146 L N 1.819 123.066 121.223 0.039 0.000 2.591 146 L HA 0.140 4.480 4.340 -0.000 0.000 0.228 146 L C 0.452 177.561 176.870 0.398 0.000 1.133 146 L CA 0.123 55.145 54.840 0.303 0.000 0.880 146 L CB -0.778 41.355 42.059 0.123 0.000 1.033 146 L HN -0.071 nan 8.230 nan 0.000 0.450 147 S N -0.439 115.409 115.700 0.246 0.000 2.410 147 S HA 0.288 4.758 4.470 -0.000 0.000 0.304 147 S C -1.893 172.866 174.600 0.266 0.000 1.095 147 S CA -1.333 56.990 58.200 0.205 0.000 1.089 147 S CB 1.334 64.574 63.200 0.067 0.000 0.968 147 S HN -0.105 nan 8.310 nan 0.000 0.480 148 P HA -0.129 nan 4.420 nan 0.000 0.216 148 P C 1.315 178.732 177.300 0.195 0.000 1.150 148 P CA 1.110 64.416 63.100 0.344 0.000 0.837 148 P CB 0.192 32.026 31.700 0.224 0.000 0.786 149 E N -0.671 119.586 120.200 0.095 0.000 2.107 149 E HA -0.049 4.301 4.350 -0.000 0.000 0.191 149 E C 2.148 178.776 176.600 0.046 0.000 0.982 149 E CA 0.781 57.214 56.400 0.055 0.000 0.809 149 E CB -0.650 29.058 29.700 0.013 0.000 0.756 149 E HN 0.340 nan 8.360 nan 0.000 0.459 150 I N 1.153 121.741 120.570 0.029 0.000 2.315 150 I HA -0.214 3.956 4.170 -0.000 0.000 0.248 150 I C 2.451 178.579 176.117 0.017 0.000 1.117 150 I CA 0.868 62.160 61.300 -0.013 0.000 1.404 150 I CB -0.302 37.636 38.000 -0.103 0.000 1.071 150 I HN -0.021 nan 8.210 nan 0.000 0.419 151 A N 0.874 123.735 122.820 0.069 0.000 1.908 151 A HA -0.264 4.056 4.320 -0.000 0.000 0.218 151 A C 2.459 180.109 177.584 0.109 0.000 1.181 151 A CA 1.775 53.820 52.037 0.013 0.000 0.627 151 A CB -0.667 18.265 19.000 -0.113 0.000 0.818 151 A HN 0.347 nan 8.150 nan 0.000 0.445 152 R N -0.390 120.218 120.500 0.179 0.000 2.080 152 R HA -0.151 4.188 4.340 -0.000 0.000 0.236 152 R C 2.361 178.721 176.300 0.100 0.000 1.137 152 R CA 1.624 57.850 56.100 0.209 0.000 0.943 152 R CB -0.500 29.883 30.300 0.137 0.000 0.846 152 R HN 0.440 nan 8.270 nan 0.000 0.431 153 A N 0.046 122.893 122.820 0.046 0.000 1.908 153 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 153 A C 2.200 179.778 177.584 -0.009 0.000 1.181 153 A CA 2.205 54.248 52.037 0.010 0.000 0.627 153 A CB -0.931 18.062 19.000 -0.011 0.000 0.818 153 A HN 0.507 nan 8.150 nan 0.000 0.445 154 T N 0.179 114.718 114.554 -0.025 0.000 2.708 154 T HA -0.003 4.347 4.350 -0.000 0.000 0.266 154 T C 2.254 176.901 174.700 -0.089 0.000 1.037 154 T CA 1.630 63.695 62.100 -0.058 0.000 1.146 154 T CB -0.489 68.334 68.868 -0.076 0.000 0.865 154 T HN 0.618 nan 8.240 nan 0.000 0.435 155 A N 0.965 123.705 122.820 -0.134 0.000 1.902 155 A HA -0.054 4.266 4.320 -0.000 0.000 0.217 155 A C 2.588 180.134 177.584 -0.063 0.000 1.181 155 A CA 1.350 53.250 52.037 -0.228 0.000 0.623 155 A CB -1.043 17.710 19.000 -0.411 0.000 0.818 155 A HN 0.351 nan 8.150 nan 0.000 0.443 156 V N -0.221 119.689 119.914 -0.007 0.000 2.343 156 V HA -0.251 3.869 4.120 -0.000 0.000 0.247 156 V C 3.051 179.182 176.094 0.060 0.000 1.051 156 V CA 1.987 64.304 62.300 0.029 0.000 1.036 156 V CB -1.187 30.648 31.823 0.020 0.000 0.654 156 V HN 0.624 nan 8.190 nan 0.000 0.451 157 A N -0.200 122.633 122.820 0.021 0.000 1.898 157 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 157 A C 2.180 179.773 177.584 0.014 0.000 1.181 157 A CA 1.816 53.863 52.037 0.017 0.000 0.620 157 A CB -0.515 18.483 19.000 -0.004 0.000 0.819 157 A HN 0.493 nan 8.150 nan 0.000 0.442 158 I N -1.096 119.471 120.570 -0.005 0.000 2.142 158 I HA -0.302 3.868 4.170 -0.000 0.000 0.240 158 I C 2.629 178.746 176.117 -0.001 0.000 1.078 158 I CA 1.741 63.029 61.300 -0.020 0.000 1.343 158 I CB -0.607 37.357 38.000 -0.060 0.000 1.046 158 I HN 0.569 nan 8.210 nan 0.000 0.405 159 H N 1.298 120.334 119.070 -0.057 0.000 2.319 159 H HA -0.195 4.361 4.556 -0.000 0.000 0.297 159 H C 2.145 177.460 175.328 -0.022 0.000 1.097 159 H CA 2.237 58.263 56.048 -0.037 0.000 1.285 159 H CB -0.354 29.392 29.762 -0.027 0.000 1.368 159 H HN 0.362 nan 8.280 nan 0.000 0.495 160 G N 1.095 109.912 108.800 0.027 0.000 2.418 160 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.217 160 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.217 160 G C 1.886 176.739 174.900 -0.077 0.000 1.158 160 G CA 0.515 45.602 45.100 -0.021 0.000 0.771 160 G HN 0.329 nan 8.290 nan 0.000 0.545 161 K N 0.061 120.428 120.400 -0.054 0.000 2.103 161 K HA 0.149 4.469 4.320 -0.000 0.000 0.204 161 K C 2.513 179.068 176.600 -0.075 0.000 1.052 161 K CA 0.345 56.602 56.287 -0.050 0.000 0.945 161 K CB -0.362 32.122 32.500 -0.028 0.000 0.722 161 K HN 0.315 nan 8.250 nan 0.000 0.443 162 L N 0.812 121.973 121.223 -0.103 0.000 2.093 162 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 162 L C 2.404 179.192 176.870 -0.135 0.000 1.085 162 L CA 0.699 55.474 54.840 -0.107 0.000 0.755 162 L CB -0.437 41.560 42.059 -0.104 0.000 0.904 162 L HN -0.099 nan 8.230 nan 0.000 0.435 163 V N -0.013 119.771 119.914 -0.216 0.000 2.407 163 V HA -0.264 3.856 4.120 -0.000 0.000 0.248 163 V C 2.311 178.341 176.094 -0.106 0.000 1.055 163 V CA 1.672 63.855 62.300 -0.194 0.000 1.049 163 V CB -0.414 31.227 31.823 -0.303 0.000 0.662 163 V HN 0.468 nan 8.190 nan 0.000 0.455 164 E N -0.252 119.894 120.200 -0.089 0.000 2.072 164 E HA -0.078 4.271 4.350 -0.000 0.000 0.191 164 E C 0.950 177.523 176.600 -0.045 0.000 0.985 164 E CA 0.562 56.930 56.400 -0.054 0.000 0.801 164 E CB -0.029 29.645 29.700 -0.042 0.000 0.750 164 E HN 0.467 nan 8.360 nan 0.000 0.452 168 Q N 0.654 120.444 119.800 -0.017 0.000 2.436 168 Q HA 0.132 4.471 4.340 -0.000 0.000 0.209 168 Q C 1.076 177.071 176.000 -0.009 0.000 0.965 168 Q CA 1.193 56.990 55.803 -0.010 0.000 0.910 168 Q CB 0.067 28.800 28.738 -0.008 0.000 0.980 168 Q HN 0.252 nan 8.270 nan 0.000 0.491 169 S N 0.071 115.762 115.700 -0.015 0.000 2.577 169 S HA 0.097 4.567 4.470 -0.000 0.000 0.219 169 S C 1.289 175.883 174.600 -0.010 0.000 0.962 169 S CA -0.307 57.886 58.200 -0.011 0.000 0.921 169 S CB 0.221 63.411 63.200 -0.017 0.000 0.789 169 S HN 0.285 nan 8.310 nan 0.000 0.497 170 R N 2.112 122.603 120.500 -0.014 0.000 2.096 170 R HA -0.165 4.175 4.340 -0.000 0.000 0.240 170 R C 2.289 178.610 176.300 0.034 0.000 1.139 170 R CA 1.730 57.824 56.100 -0.009 0.000 0.952 170 R CB -0.486 29.811 30.300 -0.007 0.000 0.854 170 R HN 0.402 nan 8.270 nan 0.000 0.436 171 A N 1.030 123.869 122.820 0.032 0.000 1.883 171 A HA -0.243 4.077 4.320 -0.000 0.000 0.217 171 A C 2.075 179.691 177.584 0.052 0.000 1.186 171 A CA 1.951 54.014 52.037 0.043 0.000 0.624 171 A CB -0.507 18.511 19.000 0.030 0.000 0.822 171 A HN 0.311 nan 8.150 nan 0.000 0.444 172 K N -0.035 120.389 120.400 0.040 0.000 2.026 172 K HA -0.034 4.286 4.320 -0.000 0.000 0.208 172 K C 1.772 178.411 176.600 0.066 0.000 1.048 172 K CA 1.550 57.864 56.287 0.044 0.000 0.929 172 K CB -0.593 31.925 32.500 0.029 0.000 0.713 172 K HN 0.466 nan 8.250 nan 0.000 0.439 173 L N 0.534 121.797 121.223 0.067 0.000 2.046 173 L HA -0.218 4.121 4.340 -0.000 0.000 0.208 173 L C 1.936 178.969 176.870 0.271 0.000 1.077 173 L CA 1.514 56.424 54.840 0.117 0.000 0.747 173 L CB -0.580 41.472 42.059 -0.011 0.000 0.896 173 L HN 0.223 nan 8.230 nan 0.000 0.432 174 D N 0.269 120.828 120.400 0.264 0.000 2.104 174 D HA -0.196 4.444 4.640 -0.000 0.000 0.194 174 D C 2.237 178.591 176.300 0.090 0.000 0.994 174 D CA 1.669 55.797 54.000 0.214 0.000 0.830 174 D CB -0.169 40.725 40.800 0.156 0.000 0.959 174 D HN 0.327 nan 8.370 nan 0.000 0.452 175 A N 0.837 123.708 122.820 0.084 0.000 1.933 175 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 175 A C 1.990 179.620 177.584 0.076 0.000 1.175 175 A CA 1.428 53.503 52.037 0.064 0.000 0.628 175 A CB -0.479 18.555 19.000 0.055 0.000 0.814 175 A HN 0.115 nan 8.150 nan 0.000 0.444 176 N N -0.096 118.659 118.700 0.092 0.000 2.069 176 N HA -0.151 4.588 4.740 -0.000 0.000 0.191 176 N C 1.592 177.178 175.510 0.126 0.000 1.031 176 N CA 1.545 54.657 53.050 0.104 0.000 0.852 176 N CB -0.642 37.899 38.487 0.091 0.000 1.018 176 N HN 0.414 nan 8.380 nan 0.000 0.423 177 L N 1.817 123.100 121.223 0.099 0.000 2.012 177 L HA -0.124 4.216 4.340 -0.000 0.000 0.210 177 L C 2.165 179.093 176.870 0.098 0.000 1.073 177 L CA 1.803 56.682 54.840 0.066 0.000 0.748 177 L CB -0.692 41.279 42.059 -0.148 0.000 0.891 177 L HN 0.090 nan 8.230 nan 0.000 0.431 178 K N -0.723 119.705 120.400 0.047 0.000 2.044 178 K HA -0.244 4.076 4.320 -0.000 0.000 0.210 178 K C 1.797 178.441 176.600 0.073 0.000 1.049 178 K CA 2.110 58.425 56.287 0.045 0.000 0.927 178 K CB -0.209 32.309 32.500 0.030 0.000 0.713 178 K HN 0.385 nan 8.250 nan 0.000 0.443 179 D N -0.169 120.288 120.400 0.096 0.000 2.097 179 D HA -0.164 4.476 4.640 -0.000 0.000 0.195 179 D C 1.627 178.007 176.300 0.134 0.000 0.989 179 D CA 0.963 55.023 54.000 0.099 0.000 0.827 179 D CB -0.342 40.521 40.800 0.106 0.000 0.966 179 D HN 0.209 nan 8.370 nan 0.000 0.456 180 F N 1.909 121.886 119.950 0.046 0.000 2.095 180 F HA -0.174 4.353 4.527 -0.000 0.000 0.298 180 F C 2.122 177.964 175.800 0.069 0.000 1.104 180 F CA 1.580 59.621 58.000 0.067 0.000 1.232 180 F CB -0.124 38.911 39.000 0.059 0.000 0.987 180 F HN -0.066 nan 8.300 nan 0.000 0.475 181 E N 0.119 120.353 120.200 0.057 0.000 2.110 181 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 181 E C 2.378 178.934 176.600 -0.074 0.000 0.988 181 E CA 0.933 57.302 56.400 -0.051 0.000 0.804 181 E CB -0.443 29.287 29.700 0.051 0.000 0.745 181 E HN 0.517 nan 8.360 nan 0.000 0.458 182 A N 1.331 124.134 122.820 -0.028 0.000 1.902 182 A HA -0.264 4.056 4.320 -0.000 0.000 0.217 182 A C 2.061 179.617 177.584 -0.047 0.000 1.181 182 A CA 1.442 53.464 52.037 -0.025 0.000 0.623 182 A CB -0.449 18.551 19.000 0.001 0.000 0.818 182 A HN 0.180 nan 8.150 nan 0.000 0.443 183 Q N -1.231 118.529 119.800 -0.067 0.000 2.084 183 Q HA -0.160 4.180 4.340 -0.000 0.000 0.202 183 Q C 2.090 178.025 176.000 -0.108 0.000 0.978 183 Q CA 1.423 57.184 55.803 -0.071 0.000 0.844 183 Q CB -0.316 28.387 28.738 -0.057 0.000 0.898 183 Q HN 0.557 nan 8.270 nan 0.000 0.426 184 L N 0.672 121.760 121.223 -0.225 0.000 2.012 184 L HA -0.171 4.169 4.340 -0.000 0.000 0.210 184 L C 2.180 179.016 176.870 -0.057 0.000 1.073 184 L CA 2.166 56.892 54.840 -0.189 0.000 0.748 184 L CB -0.932 40.915 42.059 -0.355 0.000 0.891 184 L HN 0.153 nan 8.230 nan 0.000 0.431 185 A N -1.730 121.057 122.820 -0.055 0.000 1.883 185 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 185 A C 2.428 180.009 177.584 -0.004 0.000 1.186 185 A CA 2.172 54.199 52.037 -0.016 0.000 0.624 185 A CB -1.023 17.967 19.000 -0.017 0.000 0.822 185 A HN 0.517 nan 8.150 nan 0.000 0.444 186 S N -0.639 115.052 115.700 -0.016 0.000 2.356 186 S HA -0.126 4.344 4.470 -0.000 0.000 0.223 186 S C 2.093 176.686 174.600 -0.011 0.000 1.032 186 S CA 1.779 59.972 58.200 -0.012 0.000 1.005 186 S CB -0.550 62.641 63.200 -0.016 0.000 0.867 186 S HN 0.717 nan 8.310 nan 0.000 0.449 187 T N 2.268 116.815 114.554 -0.012 0.000 2.684 187 T HA -0.132 4.218 4.350 -0.000 0.000 0.267 187 T C 1.708 176.414 174.700 0.010 0.000 1.036 187 T CA 1.406 63.498 62.100 -0.013 0.000 1.148 187 T CB -0.381 68.486 68.868 -0.003 0.000 0.863 187 T HN 0.504 nan 8.240 nan 0.000 0.436 188 E N 0.450 120.703 120.200 0.088 0.000 2.085 188 E HA -0.123 4.227 4.350 -0.000 0.000 0.194 188 E C 2.505 179.196 176.600 0.152 0.000 0.994 188 E CA 1.502 58.036 56.400 0.222 0.000 0.801 188 E CB -0.265 29.539 29.700 0.173 0.000 0.743 188 E HN 0.406 nan 8.360 nan 0.000 0.453 189 T N 1.140 115.730 114.554 0.059 0.000 2.674 189 T HA -0.209 4.141 4.350 -0.000 0.000 0.265 189 T C 1.898 176.588 174.700 -0.016 0.000 1.039 189 T CA 1.399 63.514 62.100 0.025 0.000 1.150 189 T CB -0.240 68.632 68.868 0.007 0.000 0.864 189 T HN 0.191 nan 8.240 nan 0.000 0.427 190 Q N 0.152 119.927 119.800 -0.042 0.000 2.020 190 Q HA -0.083 4.257 4.340 -0.000 0.000 0.202 190 Q C 2.622 178.536 176.000 -0.142 0.000 0.982 190 Q CA 1.341 57.100 55.803 -0.074 0.000 0.838 190 Q CB -0.483 28.214 28.738 -0.068 0.000 0.899 190 Q HN 0.309 nan 8.270 nan 0.000 0.423 191 V N 0.549 120.316 119.914 -0.244 0.000 2.332 191 V HA -0.234 3.886 4.120 -0.000 0.000 0.248 191 V C 2.224 178.002 176.094 -0.526 0.000 1.055 191 V CA 2.002 64.002 62.300 -0.501 0.000 1.038 191 V CB -1.237 30.018 31.823 -0.948 0.000 0.651 191 V HN 0.583 nan 8.190 nan 0.000 0.450 192 G N -0.217 108.400 108.800 -0.304 0.000 2.440 192 G HA2 -0.292 3.667 3.960 -0.000 0.000 0.218 192 G HA3 -0.292 3.667 3.960 -0.000 0.000 0.218 192 G C 1.395 176.270 174.900 -0.042 0.000 1.154 192 G CA 1.227 46.331 45.100 0.006 0.000 0.767 192 G HN 0.617 nan 8.290 nan 0.000 0.552 193 N N -0.220 118.446 118.700 -0.057 0.000 2.354 193 N HA 0.019 4.759 4.740 -0.000 0.000 0.179 193 N C 2.001 177.477 175.510 -0.057 0.000 1.021 193 N CA 0.841 53.865 53.050 -0.042 0.000 0.887 193 N CB -0.024 38.444 38.487 -0.031 0.000 0.974 193 N HN 0.468 nan 8.380 nan 0.000 0.437 194 E N 0.739 120.884 120.200 -0.091 0.000 2.107 194 E HA -0.038 4.312 4.350 -0.000 0.000 0.191 194 E C 1.518 178.072 176.600 -0.077 0.000 0.982 194 E CA 0.721 57.072 56.400 -0.081 0.000 0.809 194 E CB 0.155 29.798 29.700 -0.094 0.000 0.756 194 E HN 0.317 nan 8.360 nan 0.000 0.459 195 L N -0.155 120.999 121.223 -0.116 0.000 2.307 195 L HA 0.133 4.473 4.340 -0.000 0.000 0.211 195 L C 2.517 179.357 176.870 -0.050 0.000 1.099 195 L CA 0.460 55.242 54.840 -0.097 0.000 0.816 195 L CB -0.320 41.638 42.059 -0.169 0.000 0.952 195 L HN 0.177 nan 8.230 nan 0.000 0.455 196 A N 1.390 124.189 122.820 -0.036 0.000 1.927 196 A HA -0.175 4.144 4.320 -0.000 0.000 0.220 196 A C -0.087 177.492 177.584 -0.008 0.000 1.185 196 A CA 1.913 53.942 52.037 -0.015 0.000 0.639 196 A CB -1.863 17.132 19.000 -0.010 0.000 0.820 196 A HN 0.291 nan 8.150 nan 0.000 0.451 197 P HA -0.059 nan 4.420 nan 0.000 0.225 197 P C 0.909 178.216 177.300 0.012 0.000 1.148 197 P CA 0.726 63.827 63.100 0.001 0.000 0.779 197 P CB -0.067 31.632 31.700 -0.001 0.000 0.780 198 L N -1.540 119.691 121.223 0.013 0.000 2.567 198 L HA 0.110 4.450 4.340 -0.000 0.000 0.225 198 L C 1.251 178.152 176.870 0.051 0.000 1.119 198 L CA -0.191 54.671 54.840 0.036 0.000 0.871 198 L CB -0.454 41.625 42.059 0.034 0.000 1.036 198 L HN -0.073 nan 8.230 nan 0.000 0.459 199 K N 1.039 121.456 120.400 0.028 0.000 2.489 199 K HA 0.128 4.448 4.320 -0.000 0.000 0.278 199 K C 1.178 177.796 176.600 0.029 0.000 1.000 199 K CA 1.064 57.366 56.287 0.026 0.000 1.012 199 K CB 0.371 32.874 32.500 0.006 0.000 0.903 199 K HN 0.195 nan 8.250 nan 0.000 0.485 200 G N 3.162 111.978 108.800 0.027 0.000 2.241 200 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.244 200 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.244 200 G C -0.462 174.462 174.900 0.041 0.000 0.998 200 G CA 0.163 45.275 45.100 0.020 0.000 0.621 200 G HN 0.608 nan 8.290 nan 0.000 0.519 201 K N 1.567 122.018 120.400 0.085 0.000 2.316 201 K HA 0.493 4.813 4.320 -0.000 0.000 0.289 201 K C 0.901 177.608 176.600 0.179 0.000 1.070 201 K CA 0.176 56.539 56.287 0.127 0.000 0.928 201 K CB 1.249 33.841 32.500 0.153 0.000 1.039 201 K HN 0.315 nan 8.250 nan 0.000 0.480 202 G N 2.478 111.344 108.800 0.110 0.000 2.476 202 G HA2 0.407 4.367 3.960 -0.000 0.000 0.269 202 G HA3 0.407 4.367 3.960 -0.000 0.000 0.269 202 G C -0.903 174.120 174.900 0.206 0.000 1.195 202 G CA -0.232 44.885 45.100 0.028 0.000 0.843 202 G HN 0.659 nan 8.290 nan 0.000 0.545 203 Y N -1.620 118.720 120.300 0.066 0.000 2.677 203 Y HA 0.704 5.254 4.550 -0.000 0.000 0.334 203 Y C -1.781 174.185 175.900 0.110 0.000 1.196 203 Y CA -2.322 55.903 58.100 0.209 0.000 1.059 203 Y CB 1.010 39.708 38.460 0.398 0.000 1.315 203 Y HN 0.414 nan 8.280 nan 0.000 0.455 204 F N 1.835 122.050 119.950 0.442 0.000 2.508 204 F HA 0.707 5.234 4.527 -0.000 0.000 0.325 204 F C 0.114 176.314 175.800 0.668 0.000 1.090 204 F CA -1.166 57.089 58.000 0.425 0.000 0.945 204 F CB 2.280 41.488 39.000 0.347 0.000 1.156 204 F HN 0.587 nan 8.300 nan 0.000 0.463 205 V N 0.243 120.595 119.914 0.730 0.000 2.850 205 V HA 0.406 4.526 4.120 -0.000 0.000 0.315 205 V C 0.406 176.876 176.094 0.627 0.000 1.064 205 V CA -0.576 62.078 62.300 0.590 0.000 0.979 205 V CB 1.532 33.584 31.823 0.381 0.000 1.039 205 V HN 0.824 nan 8.190 nan 0.000 0.452 206 F N 2.053 122.195 119.950 0.320 0.000 2.084 206 F HA 0.084 4.611 4.527 -0.000 0.000 0.296 206 F C 1.186 177.194 175.800 0.347 0.000 1.111 206 F CA 1.875 59.986 58.000 0.185 0.000 1.224 206 F CB -0.114 38.928 39.000 0.069 0.000 0.991 206 F HN 0.921 nan 8.300 nan 0.000 0.471 207 H N -1.482 117.625 119.070 0.062 0.000 2.907 207 H HA 0.252 4.808 4.556 -0.000 0.000 0.361 207 H C -1.043 174.275 175.328 -0.018 0.000 1.194 207 H CA -0.912 55.056 56.048 -0.134 0.000 1.152 207 H CB 0.680 30.245 29.762 -0.329 0.000 1.867 207 H HN -0.094 nan 8.280 nan 0.000 0.561 208 D N 1.082 121.296 120.400 -0.309 0.000 2.671 208 D HA 0.278 4.918 4.640 -0.000 0.000 0.228 208 D C 0.494 176.393 176.300 -0.669 0.000 1.102 208 D CA 0.289 54.044 54.000 -0.409 0.000 1.044 208 D CB -0.623 39.814 40.800 -0.605 0.000 1.113 208 D HN 0.603 nan 8.370 nan 0.000 0.480 209 A N 1.695 123.899 122.820 -1.027 0.000 2.382 209 A HA 0.079 4.399 4.320 -0.000 0.000 0.228 209 A C 0.631 177.582 177.584 -1.055 0.000 1.217 209 A CA -0.073 50.967 52.037 -1.662 0.000 0.923 209 A CB 0.027 17.941 19.000 -1.809 0.000 0.979 209 A HN 0.397 nan 8.150 nan 0.000 0.515 210 Y N -0.940 119.242 120.300 -0.196 0.000 2.467 210 Y HA 0.252 4.802 4.550 -0.000 0.000 0.250 210 Y C 2.294 178.262 175.900 0.112 0.000 1.155 210 Y CA -0.188 57.924 58.100 0.021 0.000 1.249 210 Y CB -0.219 38.319 38.460 0.131 0.000 1.146 210 Y HN 0.265 nan 8.280 nan 0.000 0.524 211 G N 0.040 108.893 108.800 0.088 0.000 2.469 211 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.220 211 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.220 211 G C 1.190 176.049 174.900 -0.068 0.000 1.136 211 G CA 1.206 46.299 45.100 -0.012 0.000 0.759 211 G HN 0.396 nan 8.290 nan 0.000 0.562 212 Y N -0.774 119.560 120.300 0.057 0.000 2.200 212 Y HA 0.029 4.579 4.550 -0.000 0.000 0.290 212 Y C 2.384 178.325 175.900 0.069 0.000 1.137 212 Y CA 1.067 59.190 58.100 0.038 0.000 1.163 212 Y CB -0.573 37.899 38.460 0.019 0.000 0.988 212 Y HN 0.214 nan 8.280 nan 0.000 0.518 213 F N 1.140 121.195 119.950 0.175 0.000 2.075 213 F HA -0.199 4.328 4.527 -0.000 0.000 0.297 213 F C 2.111 177.983 175.800 0.120 0.000 1.113 213 F CA 1.832 59.941 58.000 0.182 0.000 1.218 213 F CB -0.299 38.867 39.000 0.277 0.000 0.984 213 F HN 0.027 nan 8.300 nan 0.000 0.472 214 E N 0.018 120.408 120.200 0.316 0.000 2.118 214 E HA -0.279 4.071 4.350 -0.000 0.000 0.195 214 E C 2.124 178.709 176.600 -0.025 0.000 0.992 214 E CA 1.507 57.980 56.400 0.123 0.000 0.804 214 E CB -0.224 29.575 29.700 0.166 0.000 0.741 214 E HN 0.391 nan 8.360 nan 0.000 0.458 215 K N 0.941 121.307 120.400 -0.057 0.000 2.025 215 K HA -0.255 4.065 4.320 -0.000 0.000 0.207 215 K C 2.335 178.818 176.600 -0.195 0.000 1.049 215 K CA 1.520 57.739 56.287 -0.112 0.000 0.933 215 K CB 0.022 32.452 32.500 -0.117 0.000 0.714 215 K HN -0.092 nan 8.250 nan 0.000 0.438 216 Q N -0.026 119.584 119.800 -0.317 0.000 2.112 216 Q HA -0.150 4.190 4.340 -0.000 0.000 0.206 216 Q C 0.992 176.553 176.000 -0.732 0.000 0.987 216 Q CA 1.944 57.377 55.803 -0.616 0.000 0.858 216 Q CB -0.108 28.061 28.738 -0.949 0.000 0.905 216 Q HN 0.385 nan 8.270 nan 0.000 0.420 217 F N -1.055 118.720 119.950 -0.291 0.000 2.653 217 F HA 0.424 4.951 4.527 -0.000 0.000 0.304 217 F C 1.314 176.987 175.800 -0.212 0.000 1.092 217 F CA 0.098 57.908 58.000 -0.317 0.000 1.279 217 F CB 0.458 39.125 39.000 -0.554 0.000 1.044 217 F HN 0.185 nan 8.300 nan 0.000 0.564 218 G N 1.553 110.324 108.800 -0.048 0.000 2.273 218 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.280 218 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.280 218 G C 0.157 175.043 174.900 -0.022 0.000 1.047 218 G CA -0.074 45.003 45.100 -0.038 0.000 0.869 218 G HN 0.315 nan 8.290 nan 0.000 0.502 219 L N -0.128 121.081 121.223 -0.023 0.000 2.439 219 L HA 0.539 4.879 4.340 -0.000 0.000 0.261 219 L C 0.887 177.774 176.870 0.028 0.000 1.153 219 L CA 0.008 54.856 54.840 0.014 0.000 0.808 219 L CB 1.155 43.193 42.059 -0.035 0.000 1.126 219 L HN 0.205 nan 8.230 nan 0.000 0.460 220 T N 0.286 114.869 114.554 0.049 0.000 3.390 220 T HA 0.290 4.640 4.350 -0.000 0.000 0.351 220 T C -2.482 172.000 174.700 -0.364 0.000 1.759 220 T CA -1.395 60.647 62.100 -0.096 0.000 1.561 220 T CB 0.130 68.956 68.868 -0.070 0.000 1.011 220 T HN 0.302 nan 8.240 nan 0.000 0.689 221 P HA 0.232 nan 4.420 nan 0.000 0.271 221 P C 0.670 177.571 177.300 -0.664 0.000 1.216 221 P CA -0.459 62.037 63.100 -1.008 0.000 0.776 221 P CB 1.374 32.786 31.700 -0.480 0.000 0.881 222 L N 1.027 121.750 121.223 -0.833 0.000 2.313 222 L HA 0.222 4.562 4.340 -0.000 0.000 0.214 222 L C 1.430 177.786 176.870 -0.857 0.000 1.119 222 L CA 1.155 55.507 54.840 -0.815 0.000 0.809 222 L CB -0.472 40.953 42.059 -1.055 0.000 0.933 222 L HN 0.678 nan 8.230 nan 0.000 0.449 223 G N -1.538 106.742 108.800 -0.866 0.000 2.324 223 G HA2 0.199 4.159 3.960 -0.000 0.000 0.293 223 G HA3 0.199 4.159 3.960 -0.000 0.000 0.293 223 G C -1.738 173.090 174.900 -0.119 0.000 1.297 223 G CA -0.768 44.010 45.100 -0.536 0.000 0.853 223 G HN 0.153 nan 8.290 nan 0.000 0.535 224 H N -1.285 117.915 119.070 0.217 0.000 2.768 224 H HA 0.573 5.129 4.556 -0.000 0.000 0.371 224 H C 0.132 175.640 175.328 0.300 0.000 1.151 224 H CA -0.911 55.330 56.048 0.323 0.000 1.165 224 H CB 1.641 31.502 29.762 0.165 0.000 1.722 224 H HN 0.228 nan 8.280 nan 0.000 0.543 225 F N 0.947 121.032 119.950 0.225 0.000 2.171 225 F HA -0.063 4.464 4.527 -0.000 0.000 0.300 225 F C 1.505 177.285 175.800 -0.033 0.000 1.090 225 F CA 1.611 59.645 58.000 0.056 0.000 1.293 225 F CB 0.272 39.288 39.000 0.027 0.000 1.013 225 F HN 0.560 nan 8.300 nan 0.000 0.486 226 T N -2.101 112.513 114.554 0.101 0.000 2.885 226 T HA 0.439 4.789 4.350 -0.000 0.000 0.322 226 T C 0.533 175.181 174.700 -0.086 0.000 1.387 226 T CA -0.611 61.460 62.100 -0.048 0.000 1.041 226 T CB 1.118 69.807 68.868 -0.299 0.000 1.287 226 T HN -0.305 nan 8.240 nan 0.000 0.491 227 V N 2.193 122.045 119.914 -0.104 0.000 2.374 227 V HA 0.226 4.346 4.120 -0.000 0.000 0.241 227 V C 1.102 177.093 176.094 -0.172 0.000 1.034 227 V CA 0.745 62.937 62.300 -0.179 0.000 1.037 227 V CB -0.320 31.441 31.823 -0.104 0.000 0.682 227 V HN 0.790 nan 8.190 nan 0.000 0.463 228 N N 1.350 119.936 118.700 -0.191 0.000 2.437 228 N HA 0.222 4.961 4.740 -0.000 0.000 0.259 228 N C -1.933 173.349 175.510 -0.380 0.000 0.983 228 N CA -2.344 50.523 53.050 -0.305 0.000 0.937 228 N CB 2.062 40.467 38.487 -0.138 0.000 1.122 228 N HN 0.046 nan 8.380 nan 0.000 0.499 229 P HA -0.031 nan 4.420 nan 0.000 0.233 229 P C 0.331 177.324 177.300 -0.511 0.000 1.167 229 P CA 0.752 63.376 63.100 -0.794 0.000 0.770 229 P CB 0.613 31.477 31.700 -1.394 0.000 0.837 230 E N -0.150 119.921 120.200 -0.215 0.000 2.274 230 E HA 0.006 4.356 4.350 -0.000 0.000 0.194 230 E C 0.949 177.563 176.600 0.024 0.000 0.996 230 E CA 0.552 56.971 56.400 0.032 0.000 0.840 230 E CB -0.050 29.716 29.700 0.109 0.000 0.772 230 E HN 0.331 nan 8.360 nan 0.000 0.491 231 I N 2.846 123.394 120.570 -0.036 0.000 2.307 231 I HA 0.107 4.277 4.170 -0.000 0.000 0.289 231 I C 0.569 176.691 176.117 0.009 0.000 1.021 231 I CA -0.608 60.691 61.300 -0.002 0.000 1.224 231 I CB 0.691 38.684 38.000 -0.012 0.000 1.376 231 I HN -0.183 nan 8.210 nan 0.000 0.470 232 Q N 7.270 127.102 119.800 0.053 0.000 2.286 232 Q HA 0.123 4.463 4.340 -0.000 0.000 0.290 232 Q C -1.963 174.080 176.000 0.071 0.000 1.049 232 Q CA -0.975 54.879 55.803 0.085 0.000 0.923 232 Q CB 0.228 29.018 28.738 0.087 0.000 1.183 232 Q HN 0.391 nan 8.270 nan 0.000 0.383 233 P HA 0.131 nan 4.420 nan 0.000 0.275 233 P C -0.003 177.340 177.300 0.072 0.000 1.228 233 P CA -0.282 62.867 63.100 0.082 0.000 0.786 233 P CB 0.647 32.423 31.700 0.125 0.000 0.927 234 G N 0.891 109.719 108.800 0.046 0.000 2.606 234 G HA2 0.316 4.276 3.960 -0.000 0.000 0.252 234 G HA3 0.316 4.276 3.960 -0.000 0.000 0.252 234 G C 1.181 176.105 174.900 0.040 0.000 1.206 234 G CA -0.025 45.099 45.100 0.040 0.000 0.861 234 G HN 0.513 nan 8.290 nan 0.000 0.561 235 A N 0.393 123.236 122.820 0.037 0.000 1.940 235 A HA -0.146 4.174 4.320 -0.000 0.000 0.219 235 A C 2.348 179.956 177.584 0.040 0.000 1.176 235 A CA 2.224 54.284 52.037 0.039 0.000 0.631 235 A CB -0.485 18.531 19.000 0.027 0.000 0.814 235 A HN 0.682 nan 8.150 nan 0.000 0.446 236 Q N -0.747 119.070 119.800 0.028 0.000 2.030 236 Q HA -0.216 4.124 4.340 -0.000 0.000 0.204 236 Q C 2.266 178.287 176.000 0.035 0.000 0.986 236 Q CA 2.045 57.869 55.803 0.035 0.000 0.843 236 Q CB -0.329 28.419 28.738 0.017 0.000 0.904 236 Q HN 0.621 nan 8.270 nan 0.000 0.420 237 R N 0.825 121.327 120.500 0.002 0.000 2.081 237 R HA -0.080 4.260 4.340 -0.000 0.000 0.235 237 R C 1.866 178.102 176.300 -0.106 0.000 1.131 237 R CA 1.359 57.433 56.100 -0.044 0.000 0.960 237 R CB -0.594 29.686 30.300 -0.034 0.000 0.856 237 R HN 0.318 nan 8.270 nan 0.000 0.436 238 L N -0.220 120.965 121.223 -0.064 0.000 2.083 238 L HA -0.206 4.134 4.340 -0.000 0.000 0.209 238 L C 2.712 179.525 176.870 -0.095 0.000 1.083 238 L CA 1.814 56.596 54.840 -0.097 0.000 0.752 238 L CB -0.798 41.268 42.059 0.013 0.000 0.899 238 L HN 0.432 nan 8.230 nan 0.000 0.433 239 H N 1.083 120.095 119.070 -0.098 0.000 2.357 239 H HA -0.170 4.386 4.556 -0.000 0.000 0.301 239 H C 2.062 177.321 175.328 -0.115 0.000 1.082 239 H CA 1.879 57.875 56.048 -0.087 0.000 1.342 239 H CB 0.271 30.000 29.762 -0.054 0.000 1.389 239 H HN 0.590 nan 8.280 nan 0.000 0.511 240 E N 0.442 120.539 120.200 -0.172 0.000 2.106 240 E HA -0.118 4.232 4.350 -0.000 0.000 0.192 240 E C 2.386 178.797 176.600 -0.314 0.000 0.984 240 E CA 1.056 57.320 56.400 -0.227 0.000 0.806 240 E CB -0.373 29.272 29.700 -0.092 0.000 0.750 240 E HN 0.458 nan 8.360 nan 0.000 0.458 241 I N 1.342 121.664 120.570 -0.413 0.000 2.127 241 I HA -0.289 3.881 4.170 -0.000 0.000 0.241 241 I C 3.039 178.806 176.117 -0.583 0.000 1.075 241 I CA 1.650 62.517 61.300 -0.722 0.000 1.334 241 I CB -0.346 37.028 38.000 -1.043 0.000 1.040 241 I HN 0.101 nan 8.210 nan 0.000 0.405 242 R N 0.670 120.924 120.500 -0.409 0.000 2.080 242 R HA -0.222 4.118 4.340 -0.000 0.000 0.236 242 R C 2.495 178.642 176.300 -0.256 0.000 1.137 242 R CA 2.531 58.462 56.100 -0.283 0.000 0.943 242 R CB -0.524 29.661 30.300 -0.192 0.000 0.846 242 R HN 0.536 nan 8.270 nan 0.000 0.431 243 T N -1.545 112.806 114.554 -0.339 0.000 2.746 243 T HA -0.179 4.171 4.350 -0.000 0.000 0.267 243 T C 1.883 176.495 174.700 -0.147 0.000 1.039 243 T CA 1.474 63.420 62.100 -0.258 0.000 1.142 243 T CB -0.296 68.362 68.868 -0.351 0.000 0.866 243 T HN 0.412 nan 8.240 nan 0.000 0.444 244 Q N 0.614 120.329 119.800 -0.142 0.000 2.135 244 Q HA 0.049 4.389 4.340 -0.000 0.000 0.204 244 Q C 2.450 178.484 176.000 0.057 0.000 0.981 244 Q CA 1.466 57.260 55.803 -0.015 0.000 0.856 244 Q CB -0.470 28.318 28.738 0.084 0.000 0.902 244 Q HN 0.550 nan 8.270 nan 0.000 0.425 245 L N -0.531 120.687 121.223 -0.007 0.000 2.027 245 L HA -0.181 4.159 4.340 -0.000 0.000 0.206 245 L C 2.289 179.182 176.870 0.037 0.000 1.074 245 L CA 0.793 55.676 54.840 0.071 0.000 0.745 245 L CB -0.467 41.586 42.059 -0.011 0.000 0.898 245 L HN 0.108 nan 8.230 nan 0.000 0.433 246 V N -0.241 119.665 119.914 -0.014 0.000 2.270 246 V HA -0.261 3.859 4.120 -0.000 0.000 0.245 246 V C 2.363 178.456 176.094 -0.002 0.000 1.043 246 V CA 1.781 64.075 62.300 -0.011 0.000 1.014 246 V CB -0.495 31.309 31.823 -0.033 0.000 0.645 246 V HN 0.416 nan 8.190 nan 0.000 0.447 247 E N -0.249 119.945 120.200 -0.010 0.000 2.070 247 E HA -0.245 4.105 4.350 -0.000 0.000 0.197 247 E C 2.182 178.787 176.600 0.009 0.000 1.004 247 E CA 1.287 57.685 56.400 -0.004 0.000 0.805 247 E CB -0.105 29.589 29.700 -0.011 0.000 0.744 247 E HN 0.514 nan 8.360 nan 0.000 0.451 248 Q N 0.125 119.940 119.800 0.025 0.000 2.403 248 Q HA 0.026 4.366 4.340 -0.000 0.000 0.203 248 Q C -0.274 175.746 176.000 0.033 0.000 0.932 248 Q CA 0.168 55.987 55.803 0.028 0.000 0.945 248 Q CB 0.487 29.247 28.738 0.037 0.000 1.045 248 Q HN 0.207 nan 8.270 nan 0.000 0.511 249 K N 0.212 120.633 120.400 0.036 0.000 3.278 249 K HA -0.188 4.132 4.320 -0.000 0.000 0.270 249 K C -0.068 176.567 176.600 0.058 0.000 0.955 249 K CA 0.545 56.855 56.287 0.038 0.000 0.723 249 K CB -1.971 30.545 32.500 0.026 0.000 1.382 249 K HN 0.269 nan 8.250 nan 0.000 0.461 250 A N 0.451 123.324 122.820 0.088 0.000 2.466 250 A HA 0.163 4.483 4.320 -0.000 0.000 0.238 250 A C 1.516 179.166 177.584 0.111 0.000 1.074 250 A CA 0.586 52.699 52.037 0.127 0.000 0.774 250 A CB 0.341 19.471 19.000 0.217 0.000 1.015 250 A HN 0.365 nan 8.150 nan 0.000 0.498 251 T N 0.173 114.806 114.554 0.131 0.000 2.939 251 T HA 0.087 4.437 4.350 -0.000 0.000 0.254 251 T C 0.386 175.117 174.700 0.053 0.000 1.041 251 T CA 1.036 63.191 62.100 0.092 0.000 1.142 251 T CB -0.179 68.752 68.868 0.104 0.000 0.874 251 T HN 0.708 nan 8.240 nan 0.000 0.452 252 c N 1.591 120.241 118.600 0.084 0.000 2.994 252 c HA 0.839 5.409 4.570 -0.000 0.000 0.304 252 c C -0.436 173.654 174.090 -0.000 0.000 1.273 252 c CA -1.334 54.929 56.329 -0.109 0.000 1.537 252 c CB 1.723 43.960 42.510 -0.456 0.000 2.001 252 c HN 0.422 nan 8.230 nan 0.000 0.471 253 V N -0.522 119.305 119.914 -0.145 0.000 2.769 253 V HA 0.816 4.936 4.120 -0.000 0.000 0.312 253 V C -1.289 174.657 176.094 -0.246 0.000 1.061 253 V CA -0.588 61.741 62.300 0.048 0.000 0.931 253 V CB 1.695 33.672 31.823 0.257 0.000 1.010 253 V HN 0.694 nan 8.190 nan 0.000 0.433 254 F N 2.153 122.184 119.950 0.136 0.000 2.477 254 F HA 0.857 5.384 4.527 -0.000 0.000 0.335 254 F C 0.708 176.499 175.800 -0.014 0.000 1.130 254 F CA -0.177 57.823 58.000 -0.000 0.000 0.948 254 F CB 1.864 40.796 39.000 -0.114 0.000 1.154 254 F HN 0.945 nan 8.300 nan 0.000 0.439 255 A N 2.966 125.843 122.820 0.094 0.000 2.246 255 A HA 0.771 5.091 4.320 -0.000 0.000 0.291 255 A C -0.529 177.114 177.584 0.099 0.000 1.103 255 A CA -0.417 51.614 52.037 -0.009 0.000 0.844 255 A CB 0.604 19.553 19.000 -0.084 0.000 1.136 255 A HN 0.790 nan 8.150 nan 0.000 0.500 256 E N -0.544 119.703 120.200 0.078 0.000 2.340 256 E HA 0.359 4.709 4.350 -0.000 0.000 0.273 256 E C -2.174 174.497 176.600 0.118 0.000 0.891 256 E CA -1.701 54.820 56.400 0.202 0.000 0.757 256 E CB 2.228 32.202 29.700 0.457 0.000 1.231 256 E HN 0.386 nan 8.360 nan 0.000 0.439 257 P HA -0.111 nan 4.420 nan 0.000 0.225 257 P C 0.601 177.869 177.300 -0.053 0.000 1.156 257 P CA 0.957 64.071 63.100 0.023 0.000 0.787 257 P CB 0.423 32.144 31.700 0.035 0.000 0.802 258 Q N -1.133 118.615 119.800 -0.086 0.000 2.436 258 Q HA 0.093 4.433 4.340 -0.000 0.000 0.209 258 Q C -0.048 175.442 176.000 -0.850 0.000 0.965 258 Q CA 0.821 56.372 55.803 -0.421 0.000 0.910 258 Q CB -0.401 28.057 28.738 -0.466 0.000 0.980 258 Q HN 0.288 nan 8.270 nan 0.000 0.491 259 F N -0.241 119.690 119.950 -0.033 0.000 2.547 259 F HA 0.404 4.931 4.527 -0.000 0.000 0.316 259 F C -0.004 175.675 175.800 -0.201 0.000 1.121 259 F CA -1.305 56.622 58.000 -0.121 0.000 0.911 259 F CB 1.315 40.195 39.000 -0.199 0.000 1.179 259 F HN -0.344 nan 8.300 nan 0.000 0.443 260 R N 3.633 124.137 120.500 0.006 0.000 2.504 260 R HA 0.050 4.390 4.340 -0.000 0.000 0.291 260 R C -1.587 174.637 176.300 -0.125 0.000 0.974 260 R CA -0.736 55.337 56.100 -0.045 0.000 1.077 260 R CB 0.192 30.489 30.300 -0.006 0.000 0.926 260 R HN 0.375 nan 8.270 nan 0.000 0.407 261 P HA -0.022 nan 4.420 nan 0.000 0.245 261 P C 0.701 177.929 177.300 -0.121 0.000 1.212 261 P CA 0.467 63.462 63.100 -0.175 0.000 0.774 261 P CB 0.298 31.926 31.700 -0.120 0.000 0.999 262 A N 1.391 124.171 122.820 -0.066 0.000 1.903 262 A HA -0.219 4.101 4.320 -0.000 0.000 0.219 262 A C 2.371 179.962 177.584 0.010 0.000 1.191 262 A CA 2.755 54.782 52.037 -0.018 0.000 0.638 262 A CB -1.716 17.287 19.000 0.006 0.000 0.823 262 A HN 0.198 nan 8.150 nan 0.000 0.451 263 V N -2.230 117.699 119.914 0.026 0.000 2.343 263 V HA -0.196 3.924 4.120 -0.000 0.000 0.247 263 V C 2.210 178.404 176.094 0.166 0.000 1.051 263 V CA 2.175 64.553 62.300 0.130 0.000 1.036 263 V CB -1.508 30.457 31.823 0.238 0.000 0.654 263 V HN 0.238 nan 8.190 nan 0.000 0.451 264 V N 0.698 120.594 119.914 -0.030 0.000 2.295 264 V HA -0.249 3.871 4.120 -0.000 0.000 0.246 264 V C 2.751 178.876 176.094 0.052 0.000 1.049 264 V CA 2.479 64.723 62.300 -0.094 0.000 1.024 264 V CB -0.915 30.709 31.823 -0.332 0.000 0.648 264 V HN 0.582 nan 8.190 nan 0.000 0.447 265 E N 0.149 120.352 120.200 0.005 0.000 2.077 265 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 265 E C 2.435 179.062 176.600 0.046 0.000 0.989 265 E CA 1.601 58.011 56.400 0.017 0.000 0.800 265 E CB -0.209 29.489 29.700 -0.004 0.000 0.746 265 E HN 0.510 nan 8.360 nan 0.000 0.452 266 S N 0.102 115.841 115.700 0.066 0.000 2.368 266 S HA -0.126 4.344 4.470 -0.000 0.000 0.225 266 S C 2.137 176.784 174.600 0.079 0.000 1.030 266 S CA 0.842 59.084 58.200 0.070 0.000 0.999 266 S CB -0.101 63.145 63.200 0.076 0.000 0.844 266 S HN 0.066 nan 8.310 nan 0.000 0.459 267 V N 1.840 121.831 119.914 0.129 0.000 2.407 267 V HA -0.177 3.943 4.120 -0.000 0.000 0.248 267 V C 2.535 178.657 176.094 0.047 0.000 1.055 267 V CA 1.665 64.018 62.300 0.088 0.000 1.049 267 V CB -1.048 30.855 31.823 0.132 0.000 0.662 267 V HN 0.540 nan 8.190 nan 0.000 0.455 268 A N -0.554 122.309 122.820 0.073 0.000 1.968 268 A HA -0.088 4.232 4.320 -0.000 0.000 0.217 268 A C 1.644 179.241 177.584 0.021 0.000 1.169 268 A CA 0.344 52.406 52.037 0.042 0.000 0.638 268 A CB -0.349 18.676 19.000 0.042 0.000 0.812 268 A HN 0.460 nan 8.150 nan 0.000 0.446 269 R N -0.361 120.154 120.500 0.024 0.000 2.504 269 R HA 0.208 4.548 4.340 -0.000 0.000 0.291 269 R C 1.244 177.551 176.300 0.012 0.000 0.974 269 R CA 1.076 57.186 56.100 0.017 0.000 1.077 269 R CB -0.212 30.101 30.300 0.021 0.000 0.926 269 R HN 0.798 nan 8.270 nan 0.000 0.407 270 G N 2.381 111.186 108.800 0.008 0.000 2.225 270 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.254 270 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.254 270 G C 0.227 175.129 174.900 0.003 0.000 0.988 270 G CA 0.546 45.650 45.100 0.006 0.000 0.625 270 G HN 0.807 nan 8.290 nan 0.000 0.527 271 T N -2.448 112.108 114.554 0.002 0.000 2.923 271 T HA 0.690 5.040 4.350 -0.000 0.000 0.281 271 T C 1.050 175.753 174.700 0.004 0.000 0.995 271 T CA 0.731 62.831 62.100 0.001 0.000 0.985 271 T CB 1.895 70.762 68.868 -0.001 0.000 1.114 271 T HN 0.675 nan 8.240 nan 0.000 0.548 272 S N -0.093 115.610 115.700 0.006 0.000 2.597 272 S HA 0.271 4.741 4.470 -0.000 0.000 0.224 272 S C 0.372 174.976 174.600 0.007 0.000 0.955 272 S CA -0.657 57.547 58.200 0.006 0.000 0.933 272 S CB -0.752 62.453 63.200 0.008 0.000 0.788 272 S HN 0.572 nan 8.310 nan 0.000 0.488 273 V N 3.223 123.144 119.914 0.011 0.000 2.740 273 V HA 0.237 4.357 4.120 -0.000 0.000 0.303 273 V C 0.957 177.042 176.094 -0.015 0.000 1.054 273 V CA -0.033 62.273 62.300 0.011 0.000 1.106 273 V CB 0.452 32.295 31.823 0.034 0.000 0.957 273 V HN 0.417 nan 8.190 nan 0.000 0.486 277 T N 0.609 115.268 114.554 0.175 0.000 2.881 277 T HA 0.640 4.990 4.350 -0.000 0.000 0.290 277 T C -0.528 174.210 174.700 0.062 0.000 1.000 277 T CA -0.333 61.848 62.100 0.135 0.000 0.978 277 T CB 1.362 70.264 68.868 0.056 0.000 0.997 277 T HN 0.482 nan 8.240 nan 0.000 0.443 278 L N 2.507 123.713 121.223 -0.028 0.000 2.334 278 L HA 0.630 4.970 4.340 -0.000 0.000 0.276 278 L C -0.534 176.377 176.870 0.068 0.000 1.014 278 L CA -0.943 53.771 54.840 -0.210 0.000 0.815 278 L CB 1.652 43.311 42.059 -0.667 0.000 1.268 278 L HN 0.538 nan 8.230 nan 0.000 0.428 279 D N 3.956 124.425 120.400 0.115 0.000 2.454 279 D HA 0.276 4.916 4.640 -0.000 0.000 0.247 279 D C -1.840 174.702 176.300 0.403 0.000 1.129 279 D CA -1.939 52.214 54.000 0.255 0.000 0.877 279 D CB 1.910 42.832 40.800 0.203 0.000 1.082 279 D HN 0.169 nan 8.370 nan 0.000 0.537 280 P HA 0.031 nan 4.420 nan 0.000 0.237 280 P C 0.924 178.651 177.300 0.712 0.000 1.178 280 P CA 0.321 63.760 63.100 0.565 0.000 0.766 280 P CB 0.532 32.425 31.700 0.322 0.000 0.876 281 L N -1.727 119.753 121.223 0.429 0.000 2.766 281 L HA 0.384 4.724 4.340 -0.000 0.000 0.242 281 L C 1.149 178.011 176.870 -0.013 0.000 1.136 281 L CA 0.224 55.123 54.840 0.099 0.000 0.933 281 L CB -0.487 41.582 42.059 0.016 0.000 1.241 281 L HN -0.017 nan 8.230 nan 0.000 0.522 282 G N 1.457 110.427 108.800 0.285 0.000 2.323 282 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.292 282 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.292 282 G C 1.075 176.144 174.900 0.282 0.000 1.040 282 G CA 0.739 46.078 45.100 0.399 0.000 0.942 282 G HN 0.458 nan 8.290 nan 0.000 0.506 283 T N -1.399 113.256 114.554 0.167 0.000 2.699 283 T HA -0.256 4.094 4.350 -0.000 0.000 0.268 283 T C 2.141 176.909 174.700 0.114 0.000 1.036 283 T CA 1.821 63.979 62.100 0.097 0.000 1.147 283 T CB -0.317 68.584 68.868 0.054 0.000 0.862 283 T HN 0.796 nan 8.240 nan 0.000 0.446 284 N N 1.379 120.151 118.700 0.119 0.000 2.467 284 N HA 0.059 4.799 4.740 -0.000 0.000 0.184 284 N C 0.511 176.070 175.510 0.083 0.000 1.106 284 N CA 0.037 53.138 53.050 0.084 0.000 0.892 284 N CB -0.333 38.193 38.487 0.064 0.000 0.969 284 N HN 0.477 nan 8.380 nan 0.000 0.454 285 I N 1.438 122.084 120.570 0.126 0.000 2.428 285 I HA 0.111 4.281 4.170 -0.000 0.000 0.289 285 I C 0.270 176.427 176.117 0.067 0.000 1.019 285 I CA -0.571 60.742 61.300 0.020 0.000 1.351 285 I CB 0.916 38.822 38.000 -0.158 0.000 1.412 285 I HN -0.197 nan 8.210 nan 0.000 0.513 286 K N 6.294 126.690 120.400 -0.006 0.000 2.174 286 K HA 0.470 4.790 4.320 -0.000 0.000 0.275 286 K C -0.595 176.039 176.600 0.058 0.000 1.015 286 K CA -0.743 55.578 56.287 0.057 0.000 0.933 286 K CB 1.056 33.572 32.500 0.026 0.000 1.025 286 K HN 0.434 nan 8.250 nan 0.000 0.463 287 L N 1.761 123.096 121.223 0.187 0.000 2.573 287 L HA 0.036 4.376 4.340 -0.000 0.000 0.290 287 L C 0.922 177.847 176.870 0.093 0.000 1.247 287 L CA 0.750 55.714 54.840 0.206 0.000 0.876 287 L CB -0.137 42.018 42.059 0.160 0.000 1.123 287 L HN 0.989 nan 8.230 nan 0.000 0.505 288 G N 1.699 110.559 108.800 0.099 0.000 2.343 288 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.289 288 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.289 288 G C -0.149 174.805 174.900 0.090 0.000 1.295 288 G CA -0.201 44.943 45.100 0.072 0.000 0.869 288 G HN 0.530 nan 8.290 nan 0.000 0.522 289 K N -0.998 119.452 120.400 0.084 0.000 2.089 289 K HA -0.147 4.173 4.320 -0.000 0.000 0.210 289 K C 2.309 178.998 176.600 0.150 0.000 1.048 289 K CA 2.748 59.104 56.287 0.115 0.000 0.926 289 K CB -0.253 32.302 32.500 0.091 0.000 0.714 289 K HN 0.624 nan 8.250 nan 0.000 0.448 290 T N -2.311 112.301 114.554 0.096 0.000 3.069 290 T HA 0.067 4.417 4.350 -0.000 0.000 0.252 290 T C 1.571 176.304 174.700 0.055 0.000 1.053 290 T CA 0.350 62.503 62.100 0.088 0.000 0.964 290 T CB 0.313 69.206 68.868 0.042 0.000 1.005 290 T HN 0.217 nan 8.240 nan 0.000 0.532 291 S N 0.785 116.492 115.700 0.012 0.000 2.383 291 S HA -0.210 4.260 4.470 -0.000 0.000 0.229 291 S C 1.765 176.269 174.600 -0.161 0.000 1.030 291 S CA 0.758 58.807 58.200 -0.252 0.000 1.002 291 S CB -0.993 61.957 63.200 -0.417 0.000 0.829 291 S HN 0.566 nan 8.310 nan 0.000 0.467 292 Y N 2.293 122.679 120.300 0.143 0.000 2.184 292 Y HA 0.042 4.592 4.550 -0.000 0.000 0.290 292 Y C 2.723 178.822 175.900 0.331 0.000 1.129 292 Y CA 1.217 59.561 58.100 0.408 0.000 1.144 292 Y CB -0.741 38.088 38.460 0.615 0.000 0.995 292 Y HN 0.277 nan 8.280 nan 0.000 0.513 293 S N 0.247 116.059 115.700 0.186 0.000 2.370 293 S HA -0.221 4.249 4.470 -0.000 0.000 0.226 293 S C 1.792 176.378 174.600 -0.024 0.000 1.033 293 S CA 1.646 59.864 58.200 0.029 0.000 1.011 293 S CB -0.302 62.920 63.200 0.038 0.000 0.852 293 S HN 0.573 nan 8.310 nan 0.000 0.457 294 E N 0.036 120.224 120.200 -0.019 0.000 2.085 294 E HA -0.178 4.172 4.350 -0.000 0.000 0.194 294 E C 1.796 178.388 176.600 -0.015 0.000 0.994 294 E CA 1.280 57.654 56.400 -0.044 0.000 0.801 294 E CB -0.246 29.401 29.700 -0.088 0.000 0.743 294 E HN 0.552 nan 8.360 nan 0.000 0.453 295 F N 1.614 121.457 119.950 -0.179 0.000 2.075 295 F HA -0.183 4.344 4.527 -0.000 0.000 0.297 295 F C 1.894 177.659 175.800 -0.058 0.000 1.113 295 F CA 1.401 59.356 58.000 -0.074 0.000 1.218 295 F CB -0.377 38.675 39.000 0.086 0.000 0.984 295 F HN -0.093 nan 8.300 nan 0.000 0.472 296 L N -0.541 120.468 121.223 -0.357 0.000 2.083 296 L HA -0.233 4.107 4.340 -0.000 0.000 0.209 296 L C 2.562 179.353 176.870 -0.132 0.000 1.083 296 L CA 1.478 56.150 54.840 -0.280 0.000 0.752 296 L CB -1.052 40.952 42.059 -0.092 0.000 0.899 296 L HN 0.133 nan 8.230 nan 0.000 0.433 297 S N -0.747 114.885 115.700 -0.113 0.000 2.368 297 S HA -0.269 4.201 4.470 -0.000 0.000 0.225 297 S C 1.909 176.463 174.600 -0.077 0.000 1.030 297 S CA 1.414 59.564 58.200 -0.083 0.000 0.999 297 S CB -0.183 62.978 63.200 -0.064 0.000 0.844 297 S HN 0.435 nan 8.310 nan 0.000 0.459 298 Q N 0.323 120.072 119.800 -0.085 0.000 2.046 298 Q HA -0.112 4.228 4.340 -0.000 0.000 0.200 298 Q C 2.208 178.136 176.000 -0.120 0.000 0.975 298 Q CA 1.182 56.945 55.803 -0.066 0.000 0.836 298 Q CB -0.244 28.491 28.738 -0.006 0.000 0.896 298 Q HN 0.383 nan 8.270 nan 0.000 0.428 299 L N 0.769 121.843 121.223 -0.249 0.000 2.012 299 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 299 L C 2.296 179.070 176.870 -0.159 0.000 1.073 299 L CA 2.301 56.914 54.840 -0.377 0.000 0.748 299 L CB -0.945 40.642 42.059 -0.788 0.000 0.891 299 L HN 0.317 nan 8.230 nan 0.000 0.431 300 A N -0.664 122.170 122.820 0.023 0.000 1.883 300 A HA -0.318 4.002 4.320 -0.000 0.000 0.217 300 A C 2.201 179.824 177.584 0.064 0.000 1.186 300 A CA 2.140 54.269 52.037 0.153 0.000 0.624 300 A CB -1.062 17.952 19.000 0.023 0.000 0.822 300 A HN 0.622 nan 8.150 nan 0.000 0.444 301 N N -0.548 118.150 118.700 -0.004 0.000 2.166 301 N HA -0.179 4.561 4.740 -0.000 0.000 0.186 301 N C 1.910 177.420 175.510 -0.001 0.000 1.019 301 N CA 1.842 54.890 53.050 -0.004 0.000 0.856 301 N CB -0.274 38.202 38.487 -0.018 0.000 0.993 301 N HN 0.653 nan 8.380 nan 0.000 0.426 302 Q N -1.239 118.528 119.800 -0.054 0.000 2.050 302 Q HA -0.184 4.156 4.340 -0.000 0.000 0.202 302 Q C 1.577 177.536 176.000 -0.069 0.000 0.980 302 Q CA 1.592 57.338 55.803 -0.094 0.000 0.840 302 Q CB -0.246 28.359 28.738 -0.221 0.000 0.898 302 Q HN 0.519 nan 8.270 nan 0.000 0.424 303 Y N 0.290 120.469 120.300 -0.201 0.000 2.097 303 Y HA -0.271 4.279 4.550 -0.000 0.000 0.282 303 Y C 2.462 178.372 175.900 0.016 0.000 1.152 303 Y CA 1.367 59.336 58.100 -0.218 0.000 1.136 303 Y CB -0.689 37.599 38.460 -0.287 0.000 0.975 303 Y HN 0.153 nan 8.280 nan 0.000 0.498 304 A N -0.392 122.525 122.820 0.162 0.000 1.933 304 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 304 A C 2.452 180.086 177.584 0.084 0.000 1.175 304 A CA 2.128 54.223 52.037 0.096 0.000 0.628 304 A CB -1.198 17.830 19.000 0.048 0.000 0.814 304 A HN 0.516 nan 8.150 nan 0.000 0.444 305 S N -1.361 114.385 115.700 0.077 0.000 2.399 305 S HA -0.197 4.273 4.470 -0.000 0.000 0.231 305 S C 2.005 176.637 174.600 0.053 0.000 1.022 305 S CA 1.359 59.590 58.200 0.052 0.000 0.983 305 S CB -1.208 62.014 63.200 0.036 0.000 0.803 305 S HN 0.665 nan 8.310 nan 0.000 0.480 306 c N 0.590 119.246 118.600 0.093 0.000 2.505 306 c HA 0.386 4.956 4.570 -0.000 0.000 0.279 306 c C 2.550 176.664 174.090 0.040 0.000 1.316 306 c CA 0.162 56.505 56.329 0.023 0.000 1.720 306 c CB -1.477 40.966 42.510 -0.113 0.000 2.050 306 c HN 0.676 nan 8.230 nan 0.000 0.493 307 L N 0.765 122.060 121.223 0.120 0.000 2.179 307 L HA 0.045 4.385 4.340 -0.000 0.000 0.208 307 L C 1.627 178.541 176.870 0.075 0.000 1.096 307 L CA 0.661 55.570 54.840 0.115 0.000 0.779 307 L CB -0.592 41.565 42.059 0.162 0.000 0.922 307 L HN 0.331 nan 8.230 nan 0.000 0.443 308 K N 0.000 120.436 120.400 0.060 0.000 2.780 308 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 308 K CA 0.000 56.311 56.287 0.040 0.000 0.838 308 K CB 0.000 32.518 32.500 0.030 0.000 1.064 308 K HN 0.000 nan 8.250 nan 0.000 0.543