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 1xec_1_A DATA FIRST_RESID 22 DATA SEQUENCE GPVcPFRcQc HLRVVQcSDL GLEKVPKDLP PDTALLDLQN NKITEIKDGD DATA SEQUENCE FKNLKNLHTL ILINNKISKI SPGAFAPLVK LERLYLSKNQ LKELPEKMPK DATA SEQUENCE TLQELRVHEN EITKVRKSVF NGLNQMIVVE LGTNPLKSSG IENGAFQGMK DATA SEQUENCE KLSYIRIADT NITTIPQGLP PSLTELHLDG NKITKVDAAS LKGLNNLAKL DATA SEQUENCE GLSFNSISAV DNGSLANTPH LRELHLNNNK LVKVPGGLAD HKYIQVVYLH DATA SEQUENCE NNNISAIGSN DFcPPGYNTK KASYSGVSLF SNPVQYWEIQ PSTFRcVYVR DATA SEQUENCE AAVQL 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 22 G HA2 0.000 nan 3.960 nan 0.000 0.244 22 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 22 G C 0.000 174.908 174.900 0.014 0.000 0.946 22 G CA 0.000 45.107 45.100 0.011 0.000 0.502 23 P HA 0.573 nan 4.420 nan 0.000 0.275 23 P C -0.855 176.459 177.300 0.023 0.000 1.227 23 P CA -0.057 63.055 63.100 0.019 0.000 0.781 23 P CB 1.724 33.435 31.700 0.018 0.000 0.906 24 V N 2.526 122.456 119.914 0.026 0.000 2.715 24 V HA 0.269 4.389 4.120 0.001 0.000 0.310 24 V C 0.098 176.215 176.094 0.039 0.000 1.054 24 V CA -0.654 61.666 62.300 0.033 0.000 0.928 24 V CB 2.224 34.066 31.823 0.032 0.000 1.007 24 V HN 0.828 nan 8.190 nan 0.000 0.437 25 c N 6.277 124.905 118.600 0.047 0.000 2.281 25 c HA 0.641 5.212 4.570 0.001 0.000 0.325 25 c C -2.233 171.896 174.090 0.065 0.000 1.282 25 c CA -1.757 54.600 56.329 0.046 0.000 1.640 25 c CB 0.536 43.068 42.510 0.036 0.000 2.288 25 c HN 0.820 nan 8.230 nan 0.000 0.507 26 P HA 0.043 nan 4.420 nan 0.000 0.265 26 P C -0.454 176.921 177.300 0.124 0.000 1.187 26 P CA 0.151 63.307 63.100 0.093 0.000 0.766 26 P CB 0.197 31.938 31.700 0.069 0.000 0.820 27 F N 4.028 123.982 119.950 0.007 0.000 2.602 27 F HA -0.051 4.476 4.527 0.000 0.000 0.385 27 F C 1.572 177.376 175.800 0.007 0.000 1.063 27 F CA 0.669 58.672 58.000 0.006 0.000 1.233 27 F CB 0.191 39.193 39.000 0.004 0.000 1.067 27 F HN 0.447 nan 8.300 nan 0.000 0.564 28 R N 0.783 121.023 120.500 -0.434 0.000 3.405 28 R HA -0.206 4.135 4.340 0.001 0.000 0.458 28 R C -0.052 176.165 176.300 -0.137 0.000 0.589 28 R CA 0.866 56.787 56.100 -0.298 0.000 1.480 28 R CB -2.269 27.948 30.300 -0.138 0.000 2.107 28 R HN 0.568 nan 8.270 nan 0.000 0.379 29 c N 1.495 120.050 118.600 -0.074 0.000 2.480 29 c HA 0.365 4.936 4.570 0.001 0.000 0.358 29 c C 0.597 174.663 174.090 -0.040 0.000 1.309 29 c CA -0.281 56.029 56.329 -0.031 0.000 2.465 29 c CB 1.092 43.606 42.510 0.006 0.000 2.379 29 c HN 0.255 nan 8.230 nan 0.000 0.642 30 Q N 0.239 120.029 119.800 -0.016 0.000 2.327 30 Q HA 0.422 4.763 4.340 0.001 0.000 0.270 30 Q C -1.300 174.717 176.000 0.028 0.000 1.022 30 Q CA 0.054 55.853 55.803 -0.007 0.000 0.773 30 Q CB 1.287 30.017 28.738 -0.012 0.000 1.251 30 Q HN 0.709 nan 8.270 nan 0.000 0.457 31 c N 2.758 121.383 118.600 0.042 0.000 2.250 31 c HA 0.553 5.123 4.570 0.001 0.000 0.319 31 c C -0.730 173.435 174.090 0.125 0.000 1.124 31 c CA -0.688 55.678 56.329 0.062 0.000 1.527 31 c CB -1.089 41.447 42.510 0.043 0.000 2.001 31 c HN 0.788 nan 8.230 nan 0.000 0.435 32 H N 1.821 120.887 119.070 -0.007 0.000 2.782 32 H HA 0.476 5.033 4.556 0.001 0.000 0.347 32 H C -0.069 175.257 175.328 -0.004 0.000 1.038 32 H CA -0.818 55.227 56.048 -0.006 0.000 1.255 32 H CB 0.636 30.393 29.762 -0.007 0.000 1.623 32 H HN 0.651 nan 8.280 nan 0.000 0.525 33 L N 5.353 126.361 121.223 -0.358 0.000 3.823 33 L HA -0.373 3.967 4.340 0.001 0.000 0.525 33 L C 0.241 177.027 176.870 -0.139 0.000 1.247 33 L CA 1.009 55.666 54.840 -0.305 0.000 0.776 33 L CB -0.899 40.883 42.059 -0.461 0.000 1.443 33 L HN 0.949 nan 8.230 nan 0.000 0.831 34 R N -3.018 117.433 120.500 -0.081 0.000 3.989 34 R HA -0.180 4.161 4.340 0.001 0.000 0.377 34 R C -0.201 176.064 176.300 -0.058 0.000 1.158 34 R CA 1.015 57.080 56.100 -0.057 0.000 1.035 34 R CB -1.723 28.547 30.300 -0.051 0.000 1.557 34 R HN 0.270 nan 8.270 nan 0.000 0.551 35 V N 1.142 121.031 119.914 -0.041 0.000 2.540 35 V HA 0.435 4.556 4.120 0.001 0.000 0.302 35 V C 0.193 176.289 176.094 0.003 0.000 1.035 35 V CA -0.725 61.560 62.300 -0.025 0.000 0.873 35 V CB 2.314 34.134 31.823 -0.006 0.000 0.992 35 V HN -0.041 nan 8.190 nan 0.000 0.428 36 V N 4.466 124.379 119.914 -0.003 0.000 2.326 36 V HA 0.375 4.496 4.120 0.001 0.000 0.281 36 V C -0.236 175.868 176.094 0.018 0.000 1.015 36 V CA -0.553 61.756 62.300 0.015 0.000 0.823 36 V CB 1.463 33.297 31.823 0.019 0.000 1.009 36 V HN 0.897 nan 8.190 nan 0.000 0.436 37 Q N 3.760 123.573 119.800 0.023 0.000 2.421 37 Q HA 0.340 4.681 4.340 0.001 0.000 0.242 37 Q C -0.188 175.823 176.000 0.018 0.000 1.024 37 Q CA -0.004 55.811 55.803 0.021 0.000 0.891 37 Q CB 0.838 29.588 28.738 0.021 0.000 1.222 37 Q HN 0.729 nan 8.270 nan 0.000 0.483 38 c N 2.557 121.172 118.600 0.026 0.000 2.976 38 c HA 0.417 4.987 4.570 0.001 0.000 0.274 38 c C 0.203 174.311 174.090 0.030 0.000 1.487 38 c CA -0.320 56.025 56.329 0.027 0.000 1.789 38 c CB -0.659 41.875 42.510 0.039 0.000 2.771 38 c HN 0.744 nan 8.230 nan 0.000 0.551 39 S N 1.597 117.313 115.700 0.027 0.000 2.593 39 S HA 0.161 4.631 4.470 0.001 0.000 0.269 39 S C 0.369 174.983 174.600 0.023 0.000 1.334 39 S CA 0.193 58.410 58.200 0.029 0.000 1.015 39 S CB 0.231 63.449 63.200 0.029 0.000 0.912 39 S HN 0.656 nan 8.310 nan 0.000 0.541 40 D N -0.026 120.390 120.400 0.026 0.000 2.751 40 D HA -0.155 4.486 4.640 0.001 0.000 0.233 40 D C 0.060 176.373 176.300 0.021 0.000 1.149 40 D CA 0.574 54.587 54.000 0.022 0.000 0.682 40 D CB -1.449 39.361 40.800 0.016 0.000 1.068 40 D HN 0.436 nan 8.370 nan 0.000 0.429 41 L N -1.103 120.136 121.223 0.026 0.000 2.766 41 L HA 0.278 4.618 4.340 0.001 0.000 0.242 41 L C 1.785 178.676 176.870 0.035 0.000 1.136 41 L CA 0.419 55.276 54.840 0.029 0.000 0.933 41 L CB 0.319 42.397 42.059 0.031 0.000 1.241 41 L HN 0.264 nan 8.230 nan 0.000 0.522 42 G N 1.419 110.239 108.800 0.032 0.000 2.203 42 G HA2 -0.292 3.668 3.960 0.001 0.000 0.263 42 G HA3 -0.292 3.668 3.960 0.001 0.000 0.263 42 G C 0.302 175.221 174.900 0.033 0.000 1.012 42 G CA -0.021 45.098 45.100 0.031 0.000 0.749 42 G HN 0.260 nan 8.290 nan 0.000 0.512 43 L N -0.284 120.961 121.223 0.036 0.000 2.490 43 L HA 0.162 4.502 4.340 0.001 0.000 0.274 43 L C 1.586 178.473 176.870 0.028 0.000 1.201 43 L CA 0.253 55.113 54.840 0.034 0.000 0.869 43 L CB 0.424 42.505 42.059 0.038 0.000 1.123 43 L HN 0.287 nan 8.230 nan 0.000 0.484 44 E N 2.637 122.849 120.200 0.020 0.000 2.472 44 E HA 0.039 4.390 4.350 0.001 0.000 0.196 44 E C -0.181 176.423 176.600 0.006 0.000 1.033 44 E CA 0.164 56.572 56.400 0.014 0.000 0.886 44 E CB 0.416 30.121 29.700 0.009 0.000 0.944 44 E HN 0.498 nan 8.360 nan 0.000 0.492 45 K N -0.871 119.531 120.400 0.003 0.000 2.625 45 K HA 0.229 4.549 4.320 0.001 0.000 0.284 45 K C -0.798 175.789 176.600 -0.021 0.000 0.984 45 K CA -0.715 55.563 56.287 -0.015 0.000 0.865 45 K CB 1.365 33.847 32.500 -0.031 0.000 1.468 45 K HN -0.214 nan 8.250 nan 0.000 0.407 46 V N 3.337 123.218 119.914 -0.055 0.000 2.540 46 V HA 0.100 4.220 4.120 0.001 0.000 0.297 46 V C -1.602 174.447 176.094 -0.076 0.000 1.024 46 V CA -0.582 61.671 62.300 -0.077 0.000 1.105 46 V CB 0.027 31.703 31.823 -0.246 0.000 0.938 46 V HN 0.710 nan 8.190 nan 0.000 0.482 47 P HA 0.309 nan 4.420 nan 0.000 0.275 47 P C -0.624 176.659 177.300 -0.029 0.000 1.228 47 P CA -0.391 62.701 63.100 -0.013 0.000 0.786 47 P CB 1.302 33.014 31.700 0.020 0.000 0.927 48 K N 0.299 120.684 120.400 -0.026 0.000 2.303 48 K HA 0.250 4.571 4.320 0.001 0.000 0.233 48 K C -0.108 176.492 176.600 -0.001 0.000 1.046 48 K CA -0.730 55.541 56.287 -0.026 0.000 0.895 48 K CB 0.607 33.082 32.500 -0.042 0.000 1.220 48 K HN 0.389 nan 8.250 nan 0.000 0.470 49 D N 0.706 121.107 120.400 0.002 0.000 2.870 49 D HA -0.171 4.470 4.640 0.001 0.000 0.228 49 D C -0.498 175.814 176.300 0.020 0.000 1.147 49 D CA 0.804 54.810 54.000 0.011 0.000 0.757 49 D CB -1.265 39.541 40.800 0.009 0.000 1.091 49 D HN 0.309 nan 8.370 nan 0.000 0.429 50 L N -0.089 121.151 121.223 0.027 0.000 2.436 50 L HA 0.297 4.637 4.340 0.001 0.000 0.265 50 L C -1.610 175.277 176.870 0.028 0.000 1.168 50 L CA -1.596 53.263 54.840 0.033 0.000 0.815 50 L CB 0.021 42.108 42.059 0.047 0.000 1.109 50 L HN -0.296 nan 8.230 nan 0.000 0.462 51 P HA -0.007 nan 4.420 nan 0.000 0.261 51 P C -2.109 175.200 177.300 0.015 0.000 1.173 51 P CA -0.654 62.456 63.100 0.016 0.000 0.760 51 P CB 0.103 31.811 31.700 0.012 0.000 0.783 52 P HA -0.165 nan 4.420 nan 0.000 0.220 52 P C 0.741 178.045 177.300 0.006 0.000 1.148 52 P CA 1.380 64.489 63.100 0.014 0.000 0.803 52 P CB -0.099 31.609 31.700 0.013 0.000 0.782 53 D N -2.449 117.951 120.400 -0.000 0.000 2.340 53 D HA -0.023 4.618 4.640 0.001 0.000 0.220 53 D C -0.081 176.205 176.300 -0.023 0.000 1.039 53 D CA 0.230 54.225 54.000 -0.008 0.000 0.866 53 D CB -1.330 39.466 40.800 -0.008 0.000 0.913 53 D HN -0.020 nan 8.370 nan 0.000 0.523 54 T N 0.627 115.166 114.554 -0.025 0.000 2.905 54 T HA 0.284 4.635 4.350 0.001 0.000 0.299 54 T C 1.138 175.778 174.700 -0.100 0.000 1.024 54 T CA 0.541 62.612 62.100 -0.049 0.000 1.151 54 T CB 1.374 70.225 68.868 -0.029 0.000 0.987 54 T HN 0.322 nan 8.240 nan 0.000 0.535 55 A N 3.640 126.363 122.820 -0.161 0.000 2.127 55 A HA 0.500 4.820 4.320 0.001 0.000 0.204 55 A C 0.514 177.732 177.584 -0.611 0.000 1.243 55 A CA -0.017 51.815 52.037 -0.341 0.000 0.887 55 A CB 0.391 19.259 19.000 -0.220 0.000 0.933 55 A HN 0.690 nan 8.150 nan 0.000 0.479 56 L N 0.526 121.543 121.223 -0.345 0.000 2.439 56 L HA 0.672 5.012 4.340 0.001 0.000 0.270 56 L C -1.998 174.787 176.870 -0.142 0.000 0.972 56 L CA -1.016 53.655 54.840 -0.282 0.000 0.836 56 L CB 2.052 44.003 42.059 -0.180 0.000 1.255 56 L HN 0.171 nan 8.230 nan 0.000 0.404 57 L N 4.724 125.873 121.223 -0.122 0.000 2.343 57 L HA 0.554 4.894 4.340 0.001 0.000 0.278 57 L C -1.159 175.695 176.870 -0.026 0.000 0.996 57 L CA 0.053 54.867 54.840 -0.043 0.000 0.831 57 L CB 1.434 43.490 42.059 -0.005 0.000 1.232 57 L HN 0.529 nan 8.230 nan 0.000 0.413 58 D N 4.991 125.393 120.400 0.003 0.000 2.427 58 D HA 0.281 4.921 4.640 0.001 0.000 0.226 58 D C 0.009 176.336 176.300 0.046 0.000 1.076 58 D CA 0.024 54.037 54.000 0.021 0.000 0.849 58 D CB 0.935 41.749 40.800 0.022 0.000 1.052 58 D HN 0.680 nan 8.370 nan 0.000 0.515 59 L N 3.136 124.398 121.223 0.064 0.000 2.965 59 L HA 0.216 4.556 4.340 0.001 0.000 0.254 59 L C 1.002 177.917 176.870 0.074 0.000 1.220 59 L CA -0.295 54.592 54.840 0.078 0.000 1.023 59 L CB 0.154 42.281 42.059 0.112 0.000 1.355 59 L HN 0.376 nan 8.230 nan 0.000 0.545 60 Q N 1.206 121.046 119.800 0.067 0.000 2.369 60 Q HA -0.137 4.204 4.340 0.001 0.000 0.295 60 Q C 0.588 176.620 176.000 0.054 0.000 1.075 60 Q CA 0.378 56.221 55.803 0.066 0.000 0.941 60 Q CB 0.312 29.088 28.738 0.064 0.000 1.260 60 Q HN 0.262 nan 8.270 nan 0.000 0.417 61 N N 2.282 121.014 118.700 0.052 0.000 2.667 61 N HA -0.217 4.523 4.740 0.001 0.000 0.263 61 N C -1.844 173.691 175.510 0.041 0.000 1.038 61 N CA 1.010 54.086 53.050 0.043 0.000 0.749 61 N CB -0.816 37.692 38.487 0.035 0.000 0.892 61 N HN 0.709 nan 8.380 nan 0.000 0.546 62 N N 0.349 119.077 118.700 0.046 0.000 3.294 62 N HA 0.411 5.151 4.740 0.001 0.000 0.355 62 N C -0.278 175.257 175.510 0.041 0.000 1.497 62 N CA -0.502 52.574 53.050 0.043 0.000 0.707 62 N CB 0.543 39.059 38.487 0.049 0.000 1.732 62 N HN 0.220 nan 8.380 nan 0.000 0.640 63 K N 0.743 121.165 120.400 0.037 0.000 2.934 63 K HA 0.462 4.782 4.320 0.001 0.000 0.210 63 K C -0.439 176.180 176.600 0.032 0.000 1.122 63 K CA -0.115 56.192 56.287 0.033 0.000 1.033 63 K CB 0.259 32.775 32.500 0.027 0.000 0.779 63 K HN 0.376 nan 8.250 nan 0.000 0.459 64 I N 1.554 122.148 120.570 0.040 0.000 2.588 64 I HA -0.066 4.105 4.170 0.001 0.000 0.283 64 I C 1.658 177.797 176.117 0.037 0.000 1.119 64 I CA 0.312 61.635 61.300 0.038 0.000 1.419 64 I CB 1.172 39.205 38.000 0.054 0.000 1.394 64 I HN 0.292 nan 8.210 nan 0.000 0.562 65 T N 1.099 115.668 114.554 0.025 0.000 3.000 65 T HA 0.170 4.520 4.350 0.001 0.000 0.248 65 T C 0.295 175.008 174.700 0.022 0.000 1.034 65 T CA -0.126 61.988 62.100 0.023 0.000 1.060 65 T CB 0.116 68.992 68.868 0.013 0.000 0.983 65 T HN 0.761 nan 8.240 nan 0.000 0.482 66 E N 0.023 120.231 120.200 0.013 0.000 2.412 66 E HA 0.575 4.926 4.350 0.001 0.000 0.279 66 E C -2.002 174.590 176.600 -0.013 0.000 0.984 66 E CA -1.211 55.192 56.400 0.004 0.000 0.788 66 E CB 1.159 30.851 29.700 -0.013 0.000 1.277 66 E HN 0.012 nan 8.360 nan 0.000 0.455 67 I N 2.248 122.804 120.570 -0.024 0.000 2.371 67 I HA 0.254 4.424 4.170 0.001 0.000 0.282 67 I C -0.184 175.858 176.117 -0.125 0.000 1.031 67 I CA -0.389 60.869 61.300 -0.069 0.000 1.180 67 I CB 0.960 38.963 38.000 0.005 0.000 1.336 67 I HN 0.426 nan 8.210 nan 0.000 0.467 68 K N 3.655 123.970 120.400 -0.142 0.000 2.219 68 K HA 0.048 4.368 4.320 0.001 0.000 0.258 68 K C 1.079 177.590 176.600 -0.149 0.000 1.008 68 K CA -0.408 55.802 56.287 -0.128 0.000 0.928 68 K CB 0.682 33.115 32.500 -0.111 0.000 0.983 68 K HN 0.458 nan 8.250 nan 0.000 0.484 69 D N 1.112 121.445 120.400 -0.112 0.000 2.203 69 D HA -0.140 4.500 4.640 0.001 0.000 0.199 69 D C 0.842 177.087 176.300 -0.090 0.000 0.997 69 D CA 1.251 55.193 54.000 -0.096 0.000 0.863 69 D CB 0.160 40.920 40.800 -0.067 0.000 0.928 69 D HN 0.770 nan 8.370 nan 0.000 0.458 70 G N -0.357 108.380 108.800 -0.105 0.000 4.044 70 G HA2 0.044 4.005 3.960 0.001 0.000 0.297 70 G HA3 0.044 4.005 3.960 0.001 0.000 0.297 70 G C 0.622 175.427 174.900 -0.159 0.000 1.101 70 G CA -0.316 44.728 45.100 -0.094 0.000 0.884 70 G HN -0.016 nan 8.290 nan 0.000 0.538 71 D N 0.607 120.831 120.400 -0.293 0.000 2.224 71 D HA -0.008 4.632 4.640 0.001 0.000 0.205 71 D C 0.647 176.534 176.300 -0.688 0.000 0.965 71 D CA 0.729 54.397 54.000 -0.554 0.000 0.852 71 D CB 0.023 40.326 40.800 -0.829 0.000 0.947 71 D HN 0.459 nan 8.370 nan 0.000 0.494 72 F N 0.728 120.676 119.950 -0.003 0.000 2.928 72 F HA 0.200 4.728 4.527 0.001 0.000 0.337 72 F C 0.507 176.316 175.800 0.015 0.000 1.259 72 F CA -0.933 57.079 58.000 0.020 0.000 1.267 72 F CB 0.222 39.259 39.000 0.061 0.000 0.986 72 F HN -0.309 nan 8.300 nan 0.000 0.507 73 K N -0.400 120.056 120.400 0.093 0.000 2.218 73 K HA 0.316 4.636 4.320 0.001 0.000 0.276 73 K C 0.361 177.000 176.600 0.066 0.000 1.022 73 K CA -0.413 55.915 56.287 0.069 0.000 0.946 73 K CB 0.507 33.022 32.500 0.024 0.000 1.000 73 K HN 0.178 nan 8.250 nan 0.000 0.468 74 N N 0.896 119.630 118.700 0.057 0.000 2.925 74 N HA -0.161 4.579 4.740 0.001 0.000 0.244 74 N C -0.776 174.764 175.510 0.050 0.000 1.000 74 N CA 0.916 53.993 53.050 0.044 0.000 0.895 74 N CB -1.312 37.195 38.487 0.032 0.000 1.119 74 N HN 0.665 nan 8.380 nan 0.000 0.569 75 L N 0.897 122.163 121.223 0.071 0.000 2.959 75 L HA 0.213 4.553 4.340 0.001 0.000 0.236 75 L C 1.333 178.224 176.870 0.035 0.000 1.296 75 L CA -0.305 54.571 54.840 0.059 0.000 1.047 75 L CB 0.197 42.317 42.059 0.102 0.000 1.395 75 L HN -0.021 nan 8.230 nan 0.000 0.492 76 K N -0.335 120.083 120.400 0.029 0.000 2.362 76 K HA -0.002 4.318 4.320 0.001 0.000 0.200 76 K C 1.059 177.666 176.600 0.011 0.000 1.046 76 K CA 0.707 57.008 56.287 0.022 0.000 0.952 76 K CB 0.128 32.641 32.500 0.022 0.000 0.753 76 K HN 0.390 nan 8.250 nan 0.000 0.466 77 N N 0.754 119.455 118.700 0.001 0.000 2.236 77 N HA 0.020 4.761 4.740 0.001 0.000 0.196 77 N C -0.383 175.105 175.510 -0.037 0.000 1.114 77 N CA -0.091 52.957 53.050 -0.003 0.000 0.859 77 N CB 0.402 38.889 38.487 -0.001 0.000 0.982 77 N HN 0.053 nan 8.380 nan 0.000 0.493 78 L N 2.445 123.628 121.223 -0.066 0.000 2.418 78 L HA 0.019 4.360 4.340 0.001 0.000 0.274 78 L C 1.262 178.053 176.870 -0.132 0.000 1.135 78 L CA 0.397 55.145 54.840 -0.153 0.000 0.870 78 L CB 0.369 42.345 42.059 -0.138 0.000 1.154 78 L HN 0.231 nan 8.230 nan 0.000 0.462 79 H N 0.227 119.242 119.070 -0.092 0.000 2.750 79 H HA 0.373 4.930 4.556 0.001 0.000 0.263 79 H C -0.247 174.984 175.328 -0.161 0.000 0.964 79 H CA -0.043 55.941 56.048 -0.108 0.000 1.205 79 H CB 0.134 29.847 29.762 -0.082 0.000 1.454 79 H HN 0.446 nan 8.280 nan 0.000 0.503 80 T N 1.771 116.185 114.554 -0.233 0.000 2.928 80 T HA 0.429 4.779 4.350 0.001 0.000 0.296 80 T C -1.572 172.948 174.700 -0.300 0.000 1.000 80 T CA -0.651 61.316 62.100 -0.223 0.000 0.989 80 T CB 1.982 70.774 68.868 -0.127 0.000 1.005 80 T HN 0.185 nan 8.240 nan 0.000 0.442 81 L N 4.778 125.794 121.223 -0.346 0.000 2.343 81 L HA 0.671 5.012 4.340 0.001 0.000 0.278 81 L C -1.353 175.373 176.870 -0.239 0.000 0.996 81 L CA -0.664 54.002 54.840 -0.290 0.000 0.831 81 L CB 0.828 42.665 42.059 -0.370 0.000 1.232 81 L HN 0.663 nan 8.230 nan 0.000 0.413 82 I N 6.739 127.241 120.570 -0.113 0.000 2.354 82 I HA 0.263 4.433 4.170 0.001 0.000 0.286 82 I C 0.230 176.389 176.117 0.070 0.000 1.007 82 I CA -0.171 61.134 61.300 0.008 0.000 1.167 82 I CB 1.305 39.336 38.000 0.052 0.000 1.320 82 I HN 0.606 nan 8.210 nan 0.000 0.458 83 L N 6.851 128.137 121.223 0.106 0.000 3.014 83 L HA 0.402 4.743 4.340 0.001 0.000 0.263 83 L C 0.544 177.485 176.870 0.119 0.000 1.207 83 L CA -0.242 54.672 54.840 0.124 0.000 1.017 83 L CB 0.263 42.414 42.059 0.153 0.000 1.360 83 L HN 0.533 nan 8.230 nan 0.000 0.560 84 I N 1.311 121.955 120.570 0.122 0.000 2.775 84 I HA -0.160 4.011 4.170 0.001 0.000 0.290 84 I C 0.820 176.985 176.117 0.080 0.000 1.203 84 I CA 0.483 61.844 61.300 0.102 0.000 1.433 84 I CB 0.041 38.099 38.000 0.097 0.000 1.354 84 I HN 0.371 nan 8.210 nan 0.000 0.579 85 N N 4.065 122.808 118.700 0.071 0.000 2.726 85 N HA -0.191 4.549 4.740 0.001 0.000 0.253 85 N C -0.908 174.637 175.510 0.058 0.000 1.059 85 N CA 0.504 53.589 53.050 0.059 0.000 0.701 85 N CB -0.606 37.911 38.487 0.050 0.000 0.899 85 N HN 0.736 nan 8.380 nan 0.000 0.548 86 N N 0.065 118.803 118.700 0.063 0.000 3.312 86 N HA 0.407 5.147 4.740 0.001 0.000 0.361 86 N C -0.239 175.302 175.510 0.052 0.000 1.476 86 N CA -0.504 52.582 53.050 0.060 0.000 0.669 86 N CB 0.467 38.998 38.487 0.074 0.000 1.629 86 N HN 0.074 nan 8.380 nan 0.000 0.612 87 K N 1.135 121.565 120.400 0.050 0.000 2.826 87 K HA 0.422 4.742 4.320 0.001 0.000 0.206 87 K C -0.418 176.209 176.600 0.044 0.000 1.116 87 K CA -0.197 56.115 56.287 0.041 0.000 1.045 87 K CB 0.234 32.753 32.500 0.032 0.000 0.758 87 K HN 0.462 nan 8.250 nan 0.000 0.465 88 I N 2.331 122.936 120.570 0.058 0.000 2.662 88 I HA -0.113 4.058 4.170 0.001 0.000 0.285 88 I C 1.294 177.443 176.117 0.053 0.000 1.161 88 I CA 0.538 61.876 61.300 0.063 0.000 1.415 88 I CB 0.416 38.472 38.000 0.093 0.000 1.385 88 I HN 0.118 nan 8.210 nan 0.000 0.552 89 S N 4.557 120.281 115.700 0.040 0.000 2.632 89 S HA 0.211 4.682 4.470 0.001 0.000 0.237 89 S C 0.207 174.823 174.600 0.028 0.000 1.037 89 S CA -0.468 57.752 58.200 0.033 0.000 1.009 89 S CB 0.412 63.626 63.200 0.023 0.000 0.974 89 S HN 0.685 nan 8.310 nan 0.000 0.544 90 K N 0.834 121.250 120.400 0.027 0.000 2.535 90 K HA 0.623 4.944 4.320 0.001 0.000 0.251 90 K C -2.148 174.458 176.600 0.009 0.000 0.942 90 K CA -0.681 55.614 56.287 0.014 0.000 0.798 90 K CB 1.582 34.083 32.500 0.002 0.000 1.267 90 K HN 0.267 nan 8.250 nan 0.000 0.434 91 I N 2.858 123.428 120.570 -0.000 0.000 2.500 91 I HA 0.163 4.333 4.170 0.001 0.000 0.286 91 I C -0.314 175.759 176.117 -0.072 0.000 1.063 91 I CA -0.802 60.477 61.300 -0.036 0.000 1.062 91 I CB 2.216 40.221 38.000 0.009 0.000 1.223 91 I HN 0.545 nan 8.210 nan 0.000 0.435 92 S N 6.814 122.449 115.700 -0.107 0.000 2.560 92 S HA 0.194 4.664 4.470 0.001 0.000 0.284 92 S C -2.254 172.275 174.600 -0.119 0.000 1.327 92 S CA -0.713 57.428 58.200 -0.099 0.000 1.055 92 S CB 0.198 63.337 63.200 -0.100 0.000 0.868 92 S HN 0.353 nan 8.310 nan 0.000 0.506 93 P HA 0.146 nan 4.420 nan 0.000 0.268 93 P C 0.829 178.089 177.300 -0.067 0.000 1.208 93 P CA 0.545 63.612 63.100 -0.055 0.000 0.777 93 P CB 0.170 31.851 31.700 -0.031 0.000 0.875 94 G N 1.768 110.545 108.800 -0.038 0.000 2.337 94 G HA2 -0.308 3.653 3.960 0.001 0.000 0.290 94 G HA3 -0.308 3.653 3.960 0.001 0.000 0.290 94 G C 1.095 175.954 174.900 -0.068 0.000 1.003 94 G CA 0.516 45.605 45.100 -0.019 0.000 0.825 94 G HN 0.683 nan 8.290 nan 0.000 0.509 95 A N -1.013 121.679 122.820 -0.214 0.000 2.014 95 A HA 0.415 4.735 4.320 0.001 0.000 0.218 95 A C 1.635 179.081 177.584 -0.230 0.000 1.163 95 A CA 1.678 53.531 52.037 -0.306 0.000 0.652 95 A CB -0.184 18.492 19.000 -0.540 0.000 0.808 95 A HN 0.624 nan 8.150 nan 0.000 0.449 96 F N -0.896 119.122 119.950 0.113 0.000 2.664 96 F HA 0.415 4.943 4.527 0.001 0.000 0.303 96 F C 2.197 178.020 175.800 0.039 0.000 1.092 96 F CA -0.414 57.624 58.000 0.062 0.000 1.305 96 F CB -0.550 38.444 39.000 -0.011 0.000 1.054 96 F HN 0.204 nan 8.300 nan 0.000 0.565 97 A N 1.385 124.296 122.820 0.152 0.000 1.903 97 A HA -0.180 4.141 4.320 0.001 0.000 0.219 97 A C 0.047 177.688 177.584 0.096 0.000 1.191 97 A CA 1.903 54.002 52.037 0.102 0.000 0.638 97 A CB -1.887 17.147 19.000 0.057 0.000 0.823 97 A HN 0.241 nan 8.150 nan 0.000 0.451 98 P HA -0.045 nan 4.420 nan 0.000 0.220 98 P C 0.219 177.569 177.300 0.084 0.000 1.148 98 P CA 0.653 63.807 63.100 0.091 0.000 0.803 98 P CB -0.150 31.615 31.700 0.108 0.000 0.782 99 L N 0.424 121.705 121.223 0.097 0.000 2.436 99 L HA 0.023 4.363 4.340 0.001 0.000 0.244 99 L C 1.503 178.391 176.870 0.029 0.000 1.396 99 L CA -0.291 54.575 54.840 0.044 0.000 1.217 99 L CB -0.558 41.503 42.059 0.003 0.000 1.420 99 L HN -0.065 nan 8.230 nan 0.000 0.434 100 V N -2.437 117.496 119.914 0.032 0.000 3.241 100 V HA -0.091 4.029 4.120 0.001 0.000 0.269 100 V C 1.535 177.638 176.094 0.016 0.000 1.151 100 V CA 1.128 63.443 62.300 0.026 0.000 1.158 100 V CB -0.643 31.196 31.823 0.027 0.000 0.764 100 V HN 0.594 nan 8.190 nan 0.000 0.508 101 K N -0.012 120.394 120.400 0.010 0.000 2.447 101 K HA 0.411 4.731 4.320 0.001 0.000 0.205 101 K C 0.176 176.781 176.600 0.008 0.000 1.059 101 K CA -0.621 55.674 56.287 0.013 0.000 1.065 101 K CB 0.857 33.372 32.500 0.025 0.000 0.885 101 K HN 0.459 nan 8.250 nan 0.000 0.545 102 L N 2.396 123.605 121.223 -0.023 0.000 2.559 102 L HA -0.065 4.275 4.340 0.001 0.000 0.274 102 L C 0.917 177.758 176.870 -0.049 0.000 1.205 102 L CA 1.224 56.027 54.840 -0.062 0.000 0.907 102 L CB 0.356 42.339 42.059 -0.126 0.000 1.153 102 L HN 0.173 nan 8.230 nan 0.000 0.490 103 E N 3.839 124.013 120.200 -0.044 0.000 2.421 103 E HA 0.204 4.554 4.350 0.001 0.000 0.209 103 E C -0.130 176.430 176.600 -0.068 0.000 0.871 103 E CA -0.062 56.313 56.400 -0.042 0.000 1.064 103 E CB 0.646 30.325 29.700 -0.036 0.000 1.075 103 E HN 0.515 nan 8.360 nan 0.000 0.513 104 R N 1.141 121.561 120.500 -0.132 0.000 2.513 104 R HA 0.465 4.806 4.340 0.001 0.000 0.301 104 R C -1.598 174.490 176.300 -0.354 0.000 0.968 104 R CA -0.691 55.273 56.100 -0.227 0.000 0.872 104 R CB 2.124 32.194 30.300 -0.383 0.000 1.177 104 R HN -0.098 nan 8.270 nan 0.000 0.444 105 L N 3.914 125.005 121.223 -0.221 0.000 2.377 105 L HA 0.401 4.742 4.340 0.001 0.000 0.270 105 L C -1.641 175.288 176.870 0.098 0.000 0.991 105 L CA -0.239 54.468 54.840 -0.221 0.000 0.851 105 L CB 0.861 42.734 42.059 -0.310 0.000 1.218 105 L HN 0.614 nan 8.230 nan 0.000 0.420 106 Y N 6.387 126.637 120.300 -0.084 0.000 2.369 106 Y HA 0.381 4.931 4.550 0.001 0.000 0.337 106 Y C 0.579 176.475 175.900 -0.006 0.000 0.961 106 Y CA -0.952 57.129 58.100 -0.031 0.000 1.186 106 Y CB 1.366 39.814 38.460 -0.020 0.000 1.139 106 Y HN 0.512 nan 8.280 nan 0.000 0.494 107 L N 2.040 123.363 121.223 0.166 0.000 3.014 107 L HA 0.194 4.534 4.340 0.001 0.000 0.263 107 L C 0.494 177.432 176.870 0.113 0.000 1.207 107 L CA -0.041 54.876 54.840 0.129 0.000 1.017 107 L CB 0.463 42.592 42.059 0.117 0.000 1.360 107 L HN 0.459 nan 8.230 nan 0.000 0.560 108 S N 0.940 116.704 115.700 0.106 0.000 2.566 108 S HA 0.074 4.544 4.470 0.001 0.000 0.280 108 S C 0.470 175.123 174.600 0.088 0.000 1.343 108 S CA -0.042 58.218 58.200 0.099 0.000 1.036 108 S CB 0.280 63.531 63.200 0.085 0.000 0.866 108 S HN 0.300 nan 8.310 nan 0.000 0.526 109 K N 1.195 121.644 120.400 0.081 0.000 3.619 109 K HA -0.182 4.138 4.320 0.001 0.000 0.275 109 K C -0.431 176.205 176.600 0.059 0.000 0.993 109 K CA 0.298 56.623 56.287 0.063 0.000 0.787 109 K CB -1.404 31.134 32.500 0.063 0.000 1.431 109 K HN 0.565 nan 8.250 nan 0.000 0.451 110 N N 0.074 118.807 118.700 0.055 0.000 3.513 110 N HA 0.275 5.015 4.740 0.001 0.000 0.351 110 N C -0.248 175.288 175.510 0.043 0.000 1.624 110 N CA -0.580 52.504 53.050 0.056 0.000 0.712 110 N CB 0.740 39.271 38.487 0.074 0.000 2.106 110 N HN 0.200 nan 8.380 nan 0.000 0.649 111 Q N 0.642 120.468 119.800 0.044 0.000 2.129 111 Q HA 0.364 4.704 4.340 0.001 0.000 0.274 111 Q C -0.849 175.172 176.000 0.036 0.000 0.854 111 Q CA -0.317 55.507 55.803 0.034 0.000 1.123 111 Q CB 0.675 29.430 28.738 0.029 0.000 1.226 111 Q HN 0.225 nan 8.270 nan 0.000 0.454 112 L N 1.455 122.706 121.223 0.046 0.000 2.453 112 L HA -0.013 4.328 4.340 0.001 0.000 0.272 112 L C 1.240 178.132 176.870 0.037 0.000 1.182 112 L CA 0.829 55.697 54.840 0.048 0.000 0.858 112 L CB 0.502 42.600 42.059 0.064 0.000 1.120 112 L HN 0.045 nan 8.230 nan 0.000 0.474 113 K N 2.138 122.557 120.400 0.031 0.000 2.284 113 K HA 0.122 4.443 4.320 0.001 0.000 0.198 113 K C 0.104 176.719 176.600 0.024 0.000 1.048 113 K CA 0.503 56.805 56.287 0.024 0.000 0.987 113 K CB 0.432 32.943 32.500 0.017 0.000 0.800 113 K HN 0.830 nan 8.250 nan 0.000 0.486 114 E N -0.236 119.979 120.200 0.026 0.000 2.445 114 E HA 0.351 4.701 4.350 0.001 0.000 0.279 114 E C -0.883 175.730 176.600 0.022 0.000 1.018 114 E CA -0.780 55.632 56.400 0.019 0.000 0.816 114 E CB 1.022 30.725 29.700 0.005 0.000 1.356 114 E HN -0.200 nan 8.360 nan 0.000 0.462 115 L N 1.526 122.749 121.223 -0.000 0.000 2.417 115 L HA 0.379 4.720 4.340 0.001 0.000 0.268 115 L C -1.792 175.066 176.870 -0.019 0.000 1.158 115 L CA -1.891 52.939 54.840 -0.016 0.000 0.819 115 L CB 0.107 42.103 42.059 -0.105 0.000 1.112 115 L HN 0.469 nan 8.230 nan 0.000 0.458 116 P HA 0.107 nan 4.420 nan 0.000 0.275 116 P C -0.804 176.516 177.300 0.032 0.000 1.228 116 P CA -0.387 62.763 63.100 0.083 0.000 0.786 116 P CB 0.940 32.802 31.700 0.270 0.000 0.927 117 E N 1.578 121.791 120.200 0.022 0.000 2.349 117 E HA 0.105 4.456 4.350 0.001 0.000 0.262 117 E C 0.014 176.642 176.600 0.046 0.000 1.088 117 E CA -0.513 55.887 56.400 0.001 0.000 0.899 117 E CB 0.429 30.123 29.700 -0.010 0.000 1.044 117 E HN 0.345 nan 8.360 nan 0.000 0.420 118 K N 1.115 121.535 120.400 0.032 0.000 4.387 118 K HA -0.200 4.121 4.320 0.001 0.000 0.290 118 K C -0.212 176.462 176.600 0.122 0.000 0.936 118 K CA 0.421 56.744 56.287 0.059 0.000 0.890 118 K CB -1.152 31.377 32.500 0.049 0.000 1.617 118 K HN 0.441 nan 8.250 nan 0.000 0.437 119 M N 1.212 120.872 119.600 0.100 0.000 2.314 119 M HA 0.250 4.731 4.480 0.001 0.000 0.342 119 M C -1.942 174.401 176.300 0.072 0.000 1.171 119 M CA -2.163 53.203 55.300 0.111 0.000 1.098 119 M CB 0.675 33.290 32.600 0.024 0.000 1.559 119 M HN -0.044 nan 8.290 nan 0.000 0.459 120 P HA -0.069 nan 4.420 nan 0.000 0.263 120 P C -0.267 177.051 177.300 0.031 0.000 1.168 120 P CA 0.381 63.504 63.100 0.038 0.000 0.759 120 P CB 0.424 32.128 31.700 0.006 0.000 0.782 121 K N 1.169 121.590 120.400 0.036 0.000 2.362 121 K HA -0.066 4.255 4.320 0.001 0.000 0.200 121 K C 1.585 178.202 176.600 0.029 0.000 1.046 121 K CA 1.413 57.722 56.287 0.037 0.000 0.952 121 K CB -0.876 31.645 32.500 0.035 0.000 0.753 121 K HN 0.580 nan 8.250 nan 0.000 0.466 122 T N -1.683 112.882 114.554 0.018 0.000 3.081 122 T HA 0.090 4.441 4.350 0.001 0.000 0.255 122 T C 0.621 175.323 174.700 0.004 0.000 1.113 122 T CA -0.424 61.682 62.100 0.010 0.000 1.082 122 T CB -0.138 68.733 68.868 0.005 0.000 0.939 122 T HN -0.103 nan 8.240 nan 0.000 0.506 123 L N 2.255 123.480 121.223 0.003 0.000 2.640 123 L HA 0.075 4.415 4.340 0.001 0.000 0.280 123 L C 1.200 178.081 176.870 0.018 0.000 1.229 123 L CA 0.813 55.651 54.840 -0.003 0.000 0.919 123 L CB 0.259 42.317 42.059 -0.001 0.000 1.168 123 L HN 0.255 nan 8.230 nan 0.000 0.496 124 Q N 2.284 122.089 119.800 0.008 0.000 2.402 124 Q HA 0.199 4.540 4.340 0.001 0.000 0.231 124 Q C -0.171 175.848 176.000 0.032 0.000 0.888 124 Q CA 0.234 56.047 55.803 0.015 0.000 0.938 124 Q CB 0.868 29.604 28.738 -0.004 0.000 1.086 124 Q HN 0.720 nan 8.270 nan 0.000 0.543 125 E N 0.594 120.820 120.200 0.044 0.000 2.290 125 E HA 0.425 4.775 4.350 0.001 0.000 0.274 125 E C -2.023 174.649 176.600 0.120 0.000 0.889 125 E CA -0.643 55.806 56.400 0.081 0.000 0.760 125 E CB 1.777 31.540 29.700 0.104 0.000 1.206 125 E HN -0.031 nan 8.360 nan 0.000 0.419 126 L N 4.138 125.442 121.223 0.134 0.000 2.381 126 L HA 0.582 4.923 4.340 0.001 0.000 0.274 126 L C -1.503 175.454 176.870 0.145 0.000 0.988 126 L CA -0.278 54.652 54.840 0.151 0.000 0.824 126 L CB 1.484 43.653 42.059 0.183 0.000 1.263 126 L HN 0.564 nan 8.230 nan 0.000 0.410 127 R N 4.351 124.936 120.500 0.142 0.000 2.476 127 R HA 0.641 4.981 4.340 0.001 0.000 0.305 127 R C -0.960 175.404 176.300 0.107 0.000 0.965 127 R CA -0.701 55.443 56.100 0.072 0.000 0.867 127 R CB 2.080 32.313 30.300 -0.112 0.000 1.176 127 R HN 0.484 nan 8.270 nan 0.000 0.447 128 V N 2.156 122.147 119.914 0.129 0.000 2.841 128 V HA 0.069 4.190 4.120 0.001 0.000 0.363 128 V C -0.199 175.968 176.094 0.121 0.000 1.330 128 V CA -0.554 61.820 62.300 0.123 0.000 1.207 128 V CB -0.354 31.545 31.823 0.126 0.000 1.318 128 V HN 0.698 nan 8.190 nan 0.000 0.603 129 H N 1.958 121.047 119.070 0.030 0.000 2.897 129 H HA 0.196 4.753 4.556 0.001 0.000 0.347 129 H C 0.856 176.198 175.328 0.024 0.000 1.068 129 H CA 1.614 57.674 56.048 0.021 0.000 1.426 129 H CB 0.311 30.068 29.762 -0.009 0.000 1.410 129 H HN 0.587 nan 8.280 nan 0.000 0.597 130 E N 2.345 122.347 120.200 -0.330 0.000 2.252 130 E HA -0.341 4.009 4.350 0.001 0.000 0.199 130 E C -0.931 175.644 176.600 -0.041 0.000 1.352 130 E CA 0.313 56.612 56.400 -0.167 0.000 0.682 130 E CB -0.900 28.768 29.700 -0.053 0.000 1.142 130 E HN 0.741 nan 8.360 nan 0.000 0.367 131 N N 0.456 119.136 118.700 -0.034 0.000 3.427 131 N HA 0.323 5.063 4.740 0.001 0.000 0.364 131 N C -0.390 175.120 175.510 0.001 0.000 1.538 131 N CA -0.468 52.586 53.050 0.006 0.000 0.662 131 N CB 0.796 39.302 38.487 0.032 0.000 1.881 131 N HN 0.249 nan 8.380 nan 0.000 0.634 132 E N 0.776 120.985 120.200 0.015 0.000 3.157 132 E HA 0.301 4.651 4.350 0.001 0.000 0.203 132 E C -0.540 176.072 176.600 0.019 0.000 0.982 132 E CA -0.229 56.178 56.400 0.013 0.000 1.217 132 E CB 0.559 30.267 29.700 0.014 0.000 1.123 132 E HN 0.332 nan 8.360 nan 0.000 0.457 133 I N 2.239 122.825 120.570 0.026 0.000 2.598 133 I HA -0.052 4.118 4.170 0.001 0.000 0.284 133 I C 1.605 177.741 176.117 0.032 0.000 1.140 133 I CA 0.937 62.259 61.300 0.036 0.000 1.420 133 I CB 0.411 38.445 38.000 0.056 0.000 1.387 133 I HN 0.180 nan 8.210 nan 0.000 0.553 134 T N 2.869 117.440 114.554 0.029 0.000 2.959 134 T HA 0.209 4.559 4.350 0.001 0.000 0.254 134 T C 0.409 175.125 174.700 0.026 0.000 1.003 134 T CA -0.237 61.878 62.100 0.025 0.000 0.950 134 T CB 0.357 69.236 68.868 0.017 0.000 1.090 134 T HN 0.630 nan 8.240 nan 0.000 0.503 135 K N 0.554 120.971 120.400 0.027 0.000 2.502 135 K HA 0.729 5.050 4.320 0.001 0.000 0.257 135 K C -1.955 174.660 176.600 0.026 0.000 0.938 135 K CA -1.093 55.207 56.287 0.022 0.000 0.819 135 K CB 2.784 35.289 32.500 0.010 0.000 1.333 135 K HN -0.078 nan 8.250 nan 0.000 0.434 136 V N 2.480 122.406 119.914 0.020 0.000 2.447 136 V HA 0.391 4.511 4.120 0.001 0.000 0.292 136 V C -0.636 175.444 176.094 -0.023 0.000 1.021 136 V CA -0.791 61.522 62.300 0.021 0.000 0.850 136 V CB 1.230 33.082 31.823 0.049 0.000 1.005 136 V HN 0.677 nan 8.190 nan 0.000 0.426 137 R N 2.496 122.979 120.500 -0.028 0.000 2.598 137 R HA 0.441 4.781 4.340 0.001 0.000 0.279 137 R C 1.067 177.364 176.300 -0.005 0.000 0.984 137 R CA -0.762 55.320 56.100 -0.031 0.000 0.999 137 R CB 1.748 32.028 30.300 -0.034 0.000 1.114 137 R HN 0.600 nan 8.270 nan 0.000 0.493 138 K N 1.097 121.499 120.400 0.002 0.000 2.211 138 K HA -0.137 4.183 4.320 0.001 0.000 0.203 138 K C 1.653 178.292 176.600 0.065 0.000 1.050 138 K CA 1.698 58.016 56.287 0.052 0.000 0.945 138 K CB 0.098 32.608 32.500 0.017 0.000 0.732 138 K HN 0.667 nan 8.250 nan 0.000 0.451 139 S N 0.519 116.225 115.700 0.010 0.000 2.370 139 S HA -0.159 4.311 4.470 0.001 0.000 0.226 139 S C 2.079 176.657 174.600 -0.036 0.000 1.033 139 S CA 1.427 59.625 58.200 -0.004 0.000 1.011 139 S CB -1.093 62.097 63.200 -0.017 0.000 0.852 139 S HN 0.261 nan 8.310 nan 0.000 0.457 140 V N -2.007 117.828 119.914 -0.131 0.000 2.720 140 V HA 0.040 4.160 4.120 0.001 0.000 0.256 140 V C 1.912 177.801 176.094 -0.340 0.000 1.082 140 V CA 1.385 63.512 62.300 -0.288 0.000 1.101 140 V CB -1.359 30.160 31.823 -0.507 0.000 0.693 140 V HN 0.425 nan 8.190 nan 0.000 0.479 141 F N 0.086 120.051 119.950 0.024 0.000 2.717 141 F HA 0.378 4.905 4.527 0.001 0.000 0.295 141 F C 1.239 177.065 175.800 0.043 0.000 1.117 141 F CA -0.879 57.150 58.000 0.049 0.000 1.361 141 F CB -0.402 38.639 39.000 0.068 0.000 1.112 141 F HN 0.121 nan 8.300 nan 0.000 0.594 142 N N 1.071 119.880 118.700 0.182 0.000 2.412 142 N HA 0.198 4.938 4.740 0.001 0.000 0.258 142 N C 1.396 176.964 175.510 0.096 0.000 1.236 142 N CA 1.505 54.627 53.050 0.120 0.000 0.882 142 N CB 0.751 39.284 38.487 0.076 0.000 1.066 142 N HN 0.438 nan 8.380 nan 0.000 0.465 143 G N 1.249 110.101 108.800 0.086 0.000 2.258 143 G HA2 -0.262 3.698 3.960 0.001 0.000 0.233 143 G HA3 -0.262 3.698 3.960 0.001 0.000 0.233 143 G C 0.247 175.193 174.900 0.076 0.000 1.006 143 G CA -0.313 44.828 45.100 0.068 0.000 0.620 143 G HN 0.501 nan 8.290 nan 0.000 0.511 144 L N 2.282 123.570 121.223 0.108 0.000 2.388 144 L HA 0.224 4.565 4.340 0.001 0.000 0.252 144 L C 1.042 177.967 176.870 0.091 0.000 1.357 144 L CA -0.380 54.527 54.840 0.112 0.000 1.214 144 L CB -0.278 41.888 42.059 0.179 0.000 1.392 144 L HN 0.156 nan 8.230 nan 0.000 0.432 145 N N 0.732 119.470 118.700 0.063 0.000 2.521 145 N HA -0.068 4.673 4.740 0.001 0.000 0.188 145 N C 1.189 176.721 175.510 0.037 0.000 1.146 145 N CA 0.491 53.569 53.050 0.047 0.000 0.893 145 N CB 0.463 38.971 38.487 0.036 0.000 0.975 145 N HN 0.570 nan 8.380 nan 0.000 0.451 146 Q N -0.383 119.441 119.800 0.040 0.000 2.350 146 Q HA 0.223 4.564 4.340 0.001 0.000 0.225 146 Q C 0.480 176.499 176.000 0.032 0.000 0.878 146 Q CA -0.018 55.802 55.803 0.028 0.000 0.935 146 Q CB 0.350 29.100 28.738 0.020 0.000 1.099 146 Q HN 0.243 nan 8.270 nan 0.000 0.527 147 M N 1.868 121.499 119.600 0.051 0.000 2.290 147 M HA -0.028 4.453 4.480 0.001 0.000 0.356 147 M C 1.388 177.710 176.300 0.037 0.000 1.448 147 M CA 0.717 56.052 55.300 0.058 0.000 0.993 147 M CB 0.063 32.721 32.600 0.097 0.000 1.934 147 M HN 0.226 nan 8.290 nan 0.000 0.461 148 I N 0.773 121.361 120.570 0.030 0.000 4.433 148 I HA 0.267 4.437 4.170 0.001 0.000 0.322 148 I C -0.104 176.035 176.117 0.037 0.000 1.284 148 I CA 0.015 61.329 61.300 0.023 0.000 1.269 148 I CB 0.790 38.796 38.000 0.010 0.000 1.219 148 I HN 0.250 nan 8.210 nan 0.000 0.436 149 V N 2.778 122.710 119.914 0.029 0.000 2.577 149 V HA 0.545 4.665 4.120 0.001 0.000 0.303 149 V C -0.559 175.574 176.094 0.065 0.000 1.042 149 V CA -0.625 61.693 62.300 0.030 0.000 0.872 149 V CB 2.272 34.026 31.823 -0.116 0.000 0.998 149 V HN 0.071 nan 8.190 nan 0.000 0.423 150 V N 3.647 123.632 119.914 0.120 0.000 2.638 150 V HA 0.619 4.740 4.120 0.001 0.000 0.306 150 V C -0.777 175.408 176.094 0.151 0.000 1.052 150 V CA -0.588 61.774 62.300 0.104 0.000 0.885 150 V CB 2.125 33.952 31.823 0.007 0.000 0.999 150 V HN 0.984 nan 8.190 nan 0.000 0.424 151 E N 4.487 124.773 120.200 0.143 0.000 2.216 151 E HA 0.551 4.901 4.350 0.001 0.000 0.260 151 E C -0.798 175.906 176.600 0.173 0.000 0.880 151 E CA -0.293 56.204 56.400 0.163 0.000 0.765 151 E CB 1.446 31.207 29.700 0.103 0.000 1.174 151 E HN 0.578 nan 8.360 nan 0.000 0.417 152 L N 3.692 125.017 121.223 0.171 0.000 3.168 152 L HA 0.494 4.834 4.340 0.001 0.000 0.277 152 L C 1.037 177.976 176.870 0.115 0.000 1.245 152 L CA -0.479 54.458 54.840 0.162 0.000 1.035 152 L CB 0.714 42.887 42.059 0.189 0.000 1.399 152 L HN 0.646 nan 8.230 nan 0.000 0.580 153 G N -0.425 108.484 108.800 0.182 0.000 2.699 153 G HA2 0.188 4.149 3.960 0.001 0.000 0.246 153 G HA3 0.188 4.149 3.960 0.001 0.000 0.246 153 G C 0.388 175.062 174.900 -0.376 0.000 1.219 153 G CA 0.096 45.233 45.100 0.061 0.000 0.866 153 G HN 0.245 nan 8.290 nan 0.000 0.572 154 T N 0.622 114.986 114.554 -0.317 0.000 3.357 154 T HA -0.184 4.166 4.350 0.001 0.000 0.422 154 T C -0.109 174.468 174.700 -0.206 0.000 0.768 154 T CA 1.152 63.063 62.100 -0.316 0.000 2.153 154 T CB -1.432 67.124 68.868 -0.520 0.000 1.688 154 T HN 0.708 nan 8.240 nan 0.000 0.659 155 N N 1.141 119.784 118.700 -0.095 0.000 2.329 155 N HA 0.348 5.088 4.740 0.001 0.000 0.282 155 N C -2.689 172.813 175.510 -0.014 0.000 1.198 155 N CA -1.576 51.448 53.050 -0.043 0.000 0.790 155 N CB 2.763 41.243 38.487 -0.012 0.000 1.579 155 N HN 0.019 nan 8.380 nan 0.000 0.475 156 P HA 0.116 nan 4.420 nan 0.000 0.235 156 P C -0.223 177.086 177.300 0.016 0.000 1.725 156 P CA -0.188 62.916 63.100 0.006 0.000 0.894 156 P CB -0.069 31.634 31.700 0.005 0.000 1.704 157 L N 0.473 121.709 121.223 0.023 0.000 2.395 157 L HA 0.344 4.684 4.340 0.001 0.000 0.269 157 L C 0.152 177.043 176.870 0.034 0.000 1.133 157 L CA 0.200 55.061 54.840 0.035 0.000 0.812 157 L CB 0.611 42.702 42.059 0.053 0.000 1.125 157 L HN -0.111 nan 8.230 nan 0.000 0.452 158 K N 2.176 122.596 120.400 0.033 0.000 2.340 158 K HA 0.395 4.716 4.320 0.001 0.000 0.244 158 K C 0.942 177.563 176.600 0.034 0.000 0.973 158 K CA -0.605 55.701 56.287 0.030 0.000 0.828 158 K CB 1.856 34.370 32.500 0.023 0.000 1.226 158 K HN 0.606 nan 8.250 nan 0.000 0.437 159 S N 0.338 116.058 115.700 0.033 0.000 2.383 159 S HA -0.188 4.282 4.470 0.001 0.000 0.229 159 S C 1.860 176.475 174.600 0.025 0.000 1.030 159 S CA 2.001 60.221 58.200 0.033 0.000 1.002 159 S CB -0.262 62.955 63.200 0.028 0.000 0.829 159 S HN 0.781 nan 8.310 nan 0.000 0.467 160 S N 1.488 117.200 115.700 0.020 0.000 2.423 160 S HA -0.001 4.470 4.470 0.001 0.000 0.231 160 S C 1.942 176.549 174.600 0.013 0.000 1.014 160 S CA 0.957 59.165 58.200 0.014 0.000 0.965 160 S CB -0.839 62.368 63.200 0.011 0.000 0.785 160 S HN 0.525 nan 8.310 nan 0.000 0.495 161 G N 0.963 109.774 108.800 0.018 0.000 2.598 161 G HA2 0.240 4.200 3.960 0.001 0.000 0.215 161 G HA3 0.240 4.200 3.960 0.001 0.000 0.215 161 G C 0.484 175.393 174.900 0.014 0.000 1.131 161 G CA -0.006 45.105 45.100 0.017 0.000 0.785 161 G HN 0.573 nan 8.290 nan 0.000 0.539 162 I N 1.323 121.902 120.570 0.015 0.000 2.330 162 I HA 0.212 4.383 4.170 0.001 0.000 0.289 162 I C -0.288 175.813 176.117 -0.026 0.000 1.001 162 I CA -0.648 60.648 61.300 -0.006 0.000 1.193 162 I CB 1.579 39.595 38.000 0.026 0.000 1.345 162 I HN 0.057 nan 8.210 nan 0.000 0.461 163 E N 5.241 125.411 120.200 -0.051 0.000 2.398 163 E HA 0.073 4.423 4.350 0.001 0.000 0.263 163 E C -0.434 176.137 176.600 -0.049 0.000 1.046 163 E CA -0.390 55.984 56.400 -0.043 0.000 0.908 163 E CB 0.528 30.201 29.700 -0.045 0.000 0.963 163 E HN 0.417 nan 8.360 nan 0.000 0.431 164 N N 1.061 119.747 118.700 -0.023 0.000 2.483 164 N HA 0.050 4.790 4.740 0.001 0.000 0.264 164 N C 0.820 176.318 175.510 -0.021 0.000 1.197 164 N CA 0.938 53.980 53.050 -0.013 0.000 0.927 164 N CB 1.078 39.564 38.487 -0.002 0.000 1.065 164 N HN 0.816 nan 8.380 nan 0.000 0.461 165 G N 0.774 109.566 108.800 -0.013 0.000 2.143 165 G HA2 -0.335 3.625 3.960 0.001 0.000 0.248 165 G HA3 -0.335 3.625 3.960 0.001 0.000 0.248 165 G C 1.099 175.968 174.900 -0.052 0.000 0.991 165 G CA 0.659 45.754 45.100 -0.009 0.000 0.689 165 G HN 0.779 nan 8.290 nan 0.000 0.522 166 A N -0.574 122.155 122.820 -0.153 0.000 1.978 166 A HA 0.253 4.573 4.320 0.001 0.000 0.220 166 A C 1.761 179.101 177.584 -0.406 0.000 1.170 166 A CA 1.981 53.836 52.037 -0.303 0.000 0.636 166 A CB -0.359 18.327 19.000 -0.523 0.000 0.810 166 A HN 0.859 nan 8.150 nan 0.000 0.448 167 F N -1.518 118.372 119.950 -0.101 0.000 2.664 167 F HA 0.172 4.700 4.527 0.001 0.000 0.303 167 F C 2.038 177.760 175.800 -0.130 0.000 1.092 167 F CA 0.218 58.065 58.000 -0.256 0.000 1.305 167 F CB 0.144 38.962 39.000 -0.304 0.000 1.054 167 F HN 0.162 nan 8.300 nan 0.000 0.565 168 Q N 1.227 121.064 119.800 0.063 0.000 2.061 168 Q HA -0.112 4.229 4.340 0.001 0.000 0.204 168 Q C 2.490 178.521 176.000 0.052 0.000 0.984 168 Q CA 1.991 57.824 55.803 0.051 0.000 0.846 168 Q CB -0.794 27.963 28.738 0.033 0.000 0.902 168 Q HN 0.395 nan 8.270 nan 0.000 0.421 169 G N -0.603 108.237 108.800 0.067 0.000 2.564 169 G HA2 -0.127 3.833 3.960 0.001 0.000 0.216 169 G HA3 -0.127 3.833 3.960 0.001 0.000 0.216 169 G C 0.171 175.119 174.900 0.080 0.000 1.124 169 G CA 0.239 45.386 45.100 0.078 0.000 0.764 169 G HN 0.271 nan 8.290 nan 0.000 0.550 170 M N 0.470 120.113 119.600 0.071 0.000 2.206 170 M HA 0.301 4.781 4.480 0.001 0.000 0.353 170 M C 0.771 177.093 176.300 0.036 0.000 1.242 170 M CA -0.494 54.842 55.300 0.061 0.000 1.179 170 M CB 1.696 34.326 32.600 0.050 0.000 1.374 170 M HN -0.173 nan 8.290 nan 0.000 0.427 171 K N 1.321 121.742 120.400 0.035 0.000 2.211 171 K HA -0.085 4.236 4.320 0.001 0.000 0.204 171 K C 0.949 177.558 176.600 0.014 0.000 1.047 171 K CA 1.364 57.664 56.287 0.022 0.000 0.935 171 K CB 0.081 32.594 32.500 0.021 0.000 0.728 171 K HN 0.441 nan 8.250 nan 0.000 0.452 172 K N -0.197 120.212 120.400 0.016 0.000 2.387 172 K HA 0.133 4.454 4.320 0.001 0.000 0.203 172 K C -0.505 176.100 176.600 0.008 0.000 1.030 172 K CA -0.422 55.871 56.287 0.010 0.000 1.099 172 K CB 0.390 32.897 32.500 0.012 0.000 0.863 172 K HN -0.054 nan 8.250 nan 0.000 0.529 173 L N 1.306 122.531 121.223 0.003 0.000 2.628 173 L HA -0.083 4.258 4.340 0.001 0.000 0.274 173 L C 1.052 177.917 176.870 -0.009 0.000 1.209 173 L CA 0.829 55.664 54.840 -0.009 0.000 0.930 173 L CB 0.963 42.995 42.059 -0.044 0.000 1.183 173 L HN -0.046 nan 8.230 nan 0.000 0.492 174 S N 3.956 119.667 115.700 0.019 0.000 2.539 174 S HA 0.163 4.634 4.470 0.001 0.000 0.226 174 S C -0.265 174.383 174.600 0.080 0.000 1.054 174 S CA -0.142 58.079 58.200 0.034 0.000 0.910 174 S CB 0.104 63.331 63.200 0.045 0.000 0.818 174 S HN 0.641 nan 8.310 nan 0.000 0.490 175 Y N 1.062 121.324 120.300 -0.063 0.000 2.406 175 Y HA 0.674 5.224 4.550 0.001 0.000 0.340 175 Y C -1.444 174.396 175.900 -0.101 0.000 0.975 175 Y CA -1.073 56.996 58.100 -0.051 0.000 1.056 175 Y CB 1.181 39.637 38.460 -0.006 0.000 1.210 175 Y HN 0.030 nan 8.280 nan 0.000 0.448 176 I N 6.992 127.394 120.570 -0.280 0.000 2.499 176 I HA 0.476 4.647 4.170 0.001 0.000 0.288 176 I C -1.076 174.824 176.117 -0.363 0.000 1.048 176 I CA -0.846 60.285 61.300 -0.281 0.000 1.062 176 I CB 2.228 39.949 38.000 -0.466 0.000 1.238 176 I HN 0.586 nan 8.210 nan 0.000 0.426 177 R N 7.269 127.698 120.500 -0.118 0.000 2.483 177 R HA 0.670 5.010 4.340 0.001 0.000 0.303 177 R C -1.763 174.556 176.300 0.032 0.000 0.987 177 R CA -0.455 55.620 56.100 -0.043 0.000 0.881 177 R CB 1.352 31.711 30.300 0.098 0.000 1.177 177 R HN 0.636 nan 8.270 nan 0.000 0.451 178 I N 4.384 124.964 120.570 0.017 0.000 2.437 178 I HA 0.461 4.631 4.170 0.001 0.000 0.279 178 I C -0.538 175.618 176.117 0.066 0.000 1.028 178 I CA -0.513 60.821 61.300 0.056 0.000 1.142 178 I CB 1.779 39.811 38.000 0.053 0.000 1.266 178 I HN 0.667 nan 8.210 nan 0.000 0.461 179 A N 3.613 126.488 122.820 0.090 0.000 2.413 179 A HA 0.698 5.019 4.320 0.001 0.000 0.307 179 A C -0.390 177.234 177.584 0.067 0.000 1.087 179 A CA -0.451 51.639 52.037 0.089 0.000 0.750 179 A CB 0.918 19.985 19.000 0.112 0.000 1.296 179 A HN 0.712 nan 8.150 nan 0.000 0.423 180 D N 0.523 120.954 120.400 0.051 0.000 2.699 180 D HA -0.137 4.503 4.640 0.001 0.000 0.239 180 D C 0.597 176.899 176.300 0.004 0.000 1.136 180 D CA 1.933 55.947 54.000 0.023 0.000 0.668 180 D CB -1.562 39.247 40.800 0.015 0.000 1.060 180 D HN 1.056 nan 8.370 nan 0.000 0.429 181 T N -3.897 110.669 114.554 0.020 0.000 2.678 181 T HA 0.497 4.847 4.350 0.001 0.000 0.260 181 T C 0.725 175.440 174.700 0.024 0.000 0.932 181 T CA -0.654 61.456 62.100 0.016 0.000 1.043 181 T CB 1.281 70.167 68.868 0.030 0.000 1.413 181 T HN -0.134 nan 8.240 nan 0.000 0.568 182 N N 0.663 119.379 118.700 0.026 0.000 2.234 182 N HA 0.274 5.014 4.740 0.001 0.000 0.227 182 N C 0.367 175.895 175.510 0.030 0.000 1.151 182 N CA -0.297 52.769 53.050 0.026 0.000 0.865 182 N CB -0.237 38.263 38.487 0.021 0.000 1.066 182 N HN 0.750 nan 8.380 nan 0.000 0.515 183 I N -0.895 119.696 120.570 0.036 0.000 2.813 183 I HA 0.088 4.258 4.170 0.001 0.000 0.287 183 I C 1.057 177.193 176.117 0.032 0.000 1.196 183 I CA 0.170 61.493 61.300 0.037 0.000 1.421 183 I CB 0.741 38.769 38.000 0.048 0.000 1.365 183 I HN -0.114 nan 8.210 nan 0.000 0.591 184 T N 0.046 114.616 114.554 0.027 0.000 2.975 184 T HA 0.196 4.547 4.350 0.001 0.000 0.257 184 T C 0.681 175.392 174.700 0.018 0.000 1.003 184 T CA 0.401 62.514 62.100 0.022 0.000 0.932 184 T CB -0.224 68.655 68.868 0.018 0.000 1.087 184 T HN 0.905 nan 8.240 nan 0.000 0.512 185 T N -0.193 114.373 114.554 0.020 0.000 2.865 185 T HA 0.730 5.080 4.350 0.001 0.000 0.294 185 T C -0.610 174.102 174.700 0.020 0.000 1.119 185 T CA -1.087 61.023 62.100 0.016 0.000 1.007 185 T CB 1.298 70.174 68.868 0.014 0.000 1.225 185 T HN 0.191 nan 8.240 nan 0.000 0.515 186 I N 2.266 122.844 120.570 0.012 0.000 2.441 186 I HA 0.294 4.465 4.170 0.001 0.000 0.287 186 I C -2.157 173.977 176.117 0.027 0.000 1.049 186 I CA -2.255 59.052 61.300 0.012 0.000 1.381 186 I CB 0.792 38.789 38.000 -0.005 0.000 1.409 186 I HN 0.455 nan 8.210 nan 0.000 0.523 187 P HA -0.022 nan 4.420 nan 0.000 0.265 187 P C -0.774 176.561 177.300 0.058 0.000 1.187 187 P CA -0.004 63.142 63.100 0.077 0.000 0.766 187 P CB 0.383 32.180 31.700 0.161 0.000 0.820 188 Q N 1.253 121.081 119.800 0.046 0.000 2.260 188 Q HA 0.381 4.722 4.340 0.001 0.000 0.238 188 Q C 0.974 176.997 176.000 0.039 0.000 0.948 188 Q CA 0.057 55.879 55.803 0.031 0.000 0.895 188 Q CB 0.928 29.677 28.738 0.018 0.000 1.218 188 Q HN 0.818 nan 8.270 nan 0.000 0.470 189 G N 1.690 110.507 108.800 0.028 0.000 2.333 189 G HA2 -0.248 3.713 3.960 0.001 0.000 0.296 189 G HA3 -0.248 3.713 3.960 0.001 0.000 0.296 189 G C -0.205 174.726 174.900 0.052 0.000 1.059 189 G CA 0.009 45.127 45.100 0.030 0.000 1.050 189 G HN 0.401 nan 8.290 nan 0.000 0.508 190 L N 1.254 122.506 121.223 0.048 0.000 2.371 190 L HA 0.364 4.704 4.340 0.001 0.000 0.272 190 L C -1.067 175.819 176.870 0.027 0.000 1.124 190 L CA -2.042 52.831 54.840 0.055 0.000 0.816 190 L CB 0.840 42.905 42.059 0.011 0.000 1.129 190 L HN 0.099 nan 8.230 nan 0.000 0.448 191 P HA 0.023 nan 4.420 nan 0.000 0.263 191 P C -2.189 175.105 177.300 -0.010 0.000 1.195 191 P CA -1.143 61.963 63.100 0.010 0.000 0.762 191 P CB 0.352 32.056 31.700 0.006 0.000 0.799 192 P HA -0.123 nan 4.420 nan 0.000 0.231 192 P C 1.184 178.474 177.300 -0.017 0.000 1.158 192 P CA 0.999 64.092 63.100 -0.011 0.000 0.763 192 P CB -0.175 31.522 31.700 -0.005 0.000 0.805 193 S N -1.109 114.581 115.700 -0.017 0.000 2.527 193 S HA 0.026 4.497 4.470 0.001 0.000 0.222 193 S C 1.104 175.688 174.600 -0.026 0.000 0.985 193 S CA -0.244 57.945 58.200 -0.019 0.000 0.921 193 S CB -1.055 62.138 63.200 -0.011 0.000 0.772 193 S HN 0.068 nan 8.310 nan 0.000 0.529 194 L N 2.906 124.105 121.223 -0.039 0.000 2.615 194 L HA 0.011 4.351 4.340 0.001 0.000 0.284 194 L C 1.835 178.673 176.870 -0.054 0.000 1.237 194 L CA 0.758 55.563 54.840 -0.058 0.000 0.905 194 L CB 0.566 42.571 42.059 -0.091 0.000 1.149 194 L HN 0.535 nan 8.230 nan 0.000 0.499 195 T N -1.183 113.342 114.554 -0.047 0.000 2.969 195 T HA 0.194 4.545 4.350 0.001 0.000 0.250 195 T C 0.474 175.127 174.700 -0.078 0.000 1.021 195 T CA -0.240 61.835 62.100 -0.041 0.000 1.003 195 T CB 0.421 69.284 68.868 -0.009 0.000 1.040 195 T HN 0.570 nan 8.240 nan 0.000 0.492 196 E N 0.733 120.862 120.200 -0.119 0.000 2.246 196 E HA 0.586 4.937 4.350 0.001 0.000 0.266 196 E C -2.085 174.244 176.600 -0.453 0.000 0.880 196 E CA -0.895 55.341 56.400 -0.273 0.000 0.762 196 E CB 2.670 32.292 29.700 -0.130 0.000 1.180 196 E HN 0.136 nan 8.360 nan 0.000 0.416 197 L N 3.637 124.510 121.223 -0.583 0.000 2.372 197 L HA 0.326 4.666 4.340 0.001 0.000 0.273 197 L C -1.568 174.913 176.870 -0.648 0.000 0.989 197 L CA -0.440 54.097 54.840 -0.504 0.000 0.841 197 L CB 0.827 42.705 42.059 -0.301 0.000 1.225 197 L HN 0.550 nan 8.230 nan 0.000 0.414 198 H N 7.383 126.247 119.070 -0.344 0.000 2.595 198 H HA 0.455 5.011 4.556 0.001 0.000 0.313 198 H C -0.564 174.679 175.328 -0.142 0.000 1.023 198 H CA -0.333 55.571 56.048 -0.241 0.000 1.218 198 H CB 1.753 31.339 29.762 -0.293 0.000 1.403 198 H HN 0.613 nan 8.280 nan 0.000 0.477 199 L N 3.756 124.982 121.223 0.006 0.000 3.083 199 L HA 0.125 4.465 4.340 0.001 0.000 0.286 199 L C 0.114 177.023 176.870 0.066 0.000 1.307 199 L CA -0.602 54.252 54.840 0.023 0.000 0.897 199 L CB 0.287 42.342 42.059 -0.006 0.000 1.306 199 L HN 0.507 nan 8.230 nan 0.000 0.569 200 D N 0.075 120.537 120.400 0.104 0.000 2.304 200 D HA 0.232 4.873 4.640 0.001 0.000 0.247 200 D C 1.024 177.404 176.300 0.133 0.000 1.089 200 D CA 0.152 54.242 54.000 0.150 0.000 0.910 200 D CB 1.946 42.859 40.800 0.189 0.000 1.199 200 D HN 0.255 nan 8.370 nan 0.000 0.426 201 G N 1.812 110.718 108.800 0.178 0.000 2.198 201 G HA2 -0.246 3.714 3.960 0.001 0.000 0.257 201 G HA3 -0.246 3.714 3.960 0.001 0.000 0.257 201 G C 0.155 175.107 174.900 0.087 0.000 1.042 201 G CA 0.069 45.245 45.100 0.128 0.000 0.791 201 G HN 0.641 nan 8.290 nan 0.000 0.502 202 N N -0.562 118.190 118.700 0.086 0.000 2.982 202 N HA 0.527 5.267 4.740 0.001 0.000 0.319 202 N C 0.771 176.315 175.510 0.057 0.000 1.372 202 N CA -0.247 52.840 53.050 0.061 0.000 0.735 202 N CB 0.214 38.733 38.487 0.053 0.000 1.158 202 N HN 0.072 nan 8.380 nan 0.000 0.505 203 K N 0.269 120.696 120.400 0.044 0.000 2.676 203 K HA 0.461 4.781 4.320 0.001 0.000 0.205 203 K C -0.600 176.017 176.600 0.029 0.000 1.084 203 K CA -0.174 56.136 56.287 0.037 0.000 1.057 203 K CB 0.001 32.520 32.500 0.031 0.000 0.791 203 K HN 0.353 nan 8.250 nan 0.000 0.484 204 I N 1.381 121.968 120.570 0.029 0.000 2.683 204 I HA -0.100 4.070 4.170 0.001 0.000 0.286 204 I C 1.393 177.517 176.117 0.012 0.000 1.175 204 I CA 0.590 61.901 61.300 0.019 0.000 1.429 204 I CB 1.026 39.037 38.000 0.018 0.000 1.371 204 I HN 0.295 nan 8.210 nan 0.000 0.569 205 T N 1.814 116.372 114.554 0.007 0.000 2.971 205 T HA 0.184 4.534 4.350 0.001 0.000 0.252 205 T C 0.271 174.967 174.700 -0.006 0.000 1.022 205 T CA -0.237 61.864 62.100 0.001 0.000 0.980 205 T CB 0.202 69.071 68.868 0.002 0.000 1.044 205 T HN 0.707 nan 8.240 nan 0.000 0.501 206 K N 0.104 120.500 120.400 -0.006 0.000 2.556 206 K HA 0.653 4.973 4.320 0.001 0.000 0.274 206 K C -2.101 174.492 176.600 -0.012 0.000 0.966 206 K CA -1.018 55.261 56.287 -0.012 0.000 0.865 206 K CB 2.124 34.617 32.500 -0.011 0.000 1.444 206 K HN -0.097 nan 8.250 nan 0.000 0.433 207 V N 3.011 122.914 119.914 -0.018 0.000 2.334 207 V HA 0.217 4.338 4.120 0.001 0.000 0.281 207 V C -0.768 175.316 176.094 -0.018 0.000 1.016 207 V CA -0.561 61.728 62.300 -0.019 0.000 0.832 207 V CB 1.078 32.886 31.823 -0.025 0.000 0.999 207 V HN 0.891 nan 8.190 nan 0.000 0.439 208 D N 4.326 124.718 120.400 -0.014 0.000 2.163 208 D HA 0.408 5.049 4.640 0.001 0.000 0.248 208 D C 0.933 177.226 176.300 -0.012 0.000 1.035 208 D CA -0.399 53.594 54.000 -0.012 0.000 0.872 208 D CB 2.670 43.465 40.800 -0.008 0.000 1.183 208 D HN 0.403 nan 8.370 nan 0.000 0.445 209 A N 2.124 124.937 122.820 -0.012 0.000 1.978 209 A HA -0.075 4.246 4.320 0.001 0.000 0.220 209 A C 2.126 179.705 177.584 -0.009 0.000 1.170 209 A CA 1.939 53.969 52.037 -0.011 0.000 0.636 209 A CB -0.708 18.285 19.000 -0.011 0.000 0.810 209 A HN 0.727 nan 8.150 nan 0.000 0.448 210 A N 0.437 123.252 122.820 -0.008 0.000 1.902 210 A HA -0.095 4.226 4.320 0.001 0.000 0.217 210 A C 2.471 180.053 177.584 -0.004 0.000 1.181 210 A CA 2.214 54.247 52.037 -0.005 0.000 0.623 210 A CB -0.981 18.017 19.000 -0.003 0.000 0.818 210 A HN 1.000 nan 8.150 nan 0.000 0.443 211 S N -0.201 115.497 115.700 -0.004 0.000 2.447 211 S HA 0.005 4.476 4.470 0.001 0.000 0.233 211 S C 1.442 176.037 174.600 -0.008 0.000 1.006 211 S CA 1.322 59.521 58.200 -0.002 0.000 0.957 211 S CB -0.462 62.737 63.200 -0.001 0.000 0.773 211 S HN 0.440 nan 8.310 nan 0.000 0.507 212 L N -0.060 121.155 121.223 -0.013 0.000 2.607 212 L HA 0.338 4.679 4.340 0.001 0.000 0.228 212 L C 0.658 177.519 176.870 -0.015 0.000 1.123 212 L CA -0.327 54.502 54.840 -0.019 0.000 0.890 212 L CB -0.156 41.891 42.059 -0.021 0.000 1.103 212 L HN 0.076 nan 8.230 nan 0.000 0.468 213 K N 1.204 121.597 120.400 -0.011 0.000 2.472 213 K HA 0.194 4.514 4.320 0.001 0.000 0.280 213 K C 1.133 177.727 176.600 -0.009 0.000 1.028 213 K CA 1.148 57.429 56.287 -0.010 0.000 1.045 213 K CB 0.177 32.673 32.500 -0.007 0.000 0.902 213 K HN 0.239 nan 8.250 nan 0.000 0.478 214 G N 3.291 112.084 108.800 -0.011 0.000 2.199 214 G HA2 -0.264 3.697 3.960 0.001 0.000 0.254 214 G HA3 -0.264 3.697 3.960 0.001 0.000 0.254 214 G C 0.198 175.092 174.900 -0.009 0.000 0.982 214 G CA 0.242 45.337 45.100 -0.009 0.000 0.632 214 G HN 0.543 nan 8.290 nan 0.000 0.529 215 L N 1.579 122.794 121.223 -0.014 0.000 2.544 215 L HA 0.175 4.515 4.340 0.001 0.000 0.240 215 L C 1.792 178.659 176.870 -0.004 0.000 1.421 215 L CA 0.145 54.975 54.840 -0.017 0.000 1.206 215 L CB -0.296 41.746 42.059 -0.029 0.000 1.463 215 L HN 0.227 nan 8.230 nan 0.000 0.437 216 N N 1.167 119.872 118.700 0.009 0.000 2.364 216 N HA -0.157 4.584 4.740 0.001 0.000 0.183 216 N C 1.247 176.813 175.510 0.093 0.000 1.022 216 N CA 1.189 54.270 53.050 0.052 0.000 0.883 216 N CB 0.226 38.737 38.487 0.040 0.000 0.965 216 N HN 0.390 nan 8.380 nan 0.000 0.438 217 N N -0.358 118.353 118.700 0.018 0.000 2.205 217 N HA 0.029 4.770 4.740 0.001 0.000 0.201 217 N C -0.528 174.973 175.510 -0.014 0.000 1.128 217 N CA -0.247 52.794 53.050 -0.016 0.000 0.867 217 N CB 0.530 38.993 38.487 -0.039 0.000 0.996 217 N HN 0.170 nan 8.380 nan 0.000 0.503 218 L N 1.597 122.813 121.223 -0.011 0.000 2.584 218 L HA 0.054 4.394 4.340 0.001 0.000 0.272 218 L C 1.100 177.962 176.870 -0.013 0.000 1.195 218 L CA 0.190 55.010 54.840 -0.035 0.000 0.920 218 L CB 0.660 42.689 42.059 -0.050 0.000 1.173 218 L HN 0.073 nan 8.230 nan 0.000 0.489 219 A N 5.123 127.926 122.820 -0.029 0.000 2.070 219 A HA 0.273 4.593 4.320 0.001 0.000 0.202 219 A C 0.572 178.136 177.584 -0.034 0.000 1.277 219 A CA 0.188 52.224 52.037 -0.002 0.000 0.872 219 A CB 0.199 19.205 19.000 0.011 0.000 0.933 219 A HN 0.617 nan 8.150 nan 0.000 0.475 220 K N -0.095 120.245 120.400 -0.100 0.000 2.397 220 K HA 0.597 4.918 4.320 0.001 0.000 0.253 220 K C -1.984 174.444 176.600 -0.286 0.000 0.932 220 K CA -0.592 55.593 56.287 -0.170 0.000 0.795 220 K CB 2.408 34.810 32.500 -0.164 0.000 1.159 220 K HN 0.134 nan 8.250 nan 0.000 0.424 221 L N 1.575 122.649 121.223 -0.248 0.000 2.372 221 L HA 0.493 4.833 4.340 0.001 0.000 0.273 221 L C -0.678 176.066 176.870 -0.210 0.000 0.989 221 L CA -0.012 54.681 54.840 -0.245 0.000 0.841 221 L CB 1.618 43.592 42.059 -0.141 0.000 1.225 221 L HN 0.723 nan 8.230 nan 0.000 0.414 222 G N 5.455 114.103 108.800 -0.252 0.000 2.415 222 G HA2 0.540 4.500 3.960 0.001 0.000 0.317 222 G HA3 0.540 4.500 3.960 0.001 0.000 0.317 222 G C -0.221 174.681 174.900 0.004 0.000 1.152 222 G CA -0.299 44.762 45.100 -0.065 0.000 0.956 222 G HN 0.632 nan 8.290 nan 0.000 0.458 223 L N 2.646 123.894 121.223 0.042 0.000 3.289 223 L HA 0.199 4.539 4.340 0.001 0.000 0.291 223 L C 1.219 178.125 176.870 0.061 0.000 1.279 223 L CA -0.351 54.512 54.840 0.037 0.000 1.025 223 L CB 0.375 42.435 42.059 0.002 0.000 1.413 223 L HN 0.580 nan 8.230 nan 0.000 0.593 224 S N -0.993 114.778 115.700 0.118 0.000 2.603 224 S HA 0.398 4.868 4.470 0.001 0.000 0.268 224 S C 0.328 175.048 174.600 0.199 0.000 1.317 224 S CA -0.308 57.938 58.200 0.077 0.000 1.012 224 S CB 0.429 63.706 63.200 0.127 0.000 0.926 224 S HN 0.240 nan 8.310 nan 0.000 0.539 225 F N 0.014 119.973 119.950 0.015 0.000 2.983 225 F HA -0.173 4.354 4.527 0.001 0.000 0.288 225 F C 0.460 176.270 175.800 0.017 0.000 0.980 225 F CA 0.527 58.538 58.000 0.019 0.000 0.965 225 F CB -2.127 36.895 39.000 0.036 0.000 0.967 225 F HN 0.688 nan 8.300 nan 0.000 0.800 226 N N -1.060 117.702 118.700 0.103 0.000 3.184 226 N HA 0.514 5.254 4.740 0.001 0.000 0.353 226 N C 0.271 175.803 175.510 0.037 0.000 1.441 226 N CA -0.344 52.749 53.050 0.073 0.000 0.723 226 N CB 1.532 40.047 38.487 0.046 0.000 1.547 226 N HN -0.081 nan 8.380 nan 0.000 0.624 227 S N 0.320 116.033 115.700 0.022 0.000 2.661 227 S HA 0.419 4.889 4.470 0.001 0.000 0.245 227 S C 0.204 174.800 174.600 -0.005 0.000 1.117 227 S CA -0.361 57.844 58.200 0.008 0.000 1.091 227 S CB -0.249 62.961 63.200 0.016 0.000 0.887 227 S HN 0.302 nan 8.310 nan 0.000 0.491 228 I N 2.735 123.297 120.570 -0.014 0.000 2.587 228 I HA 0.024 4.194 4.170 0.001 0.000 0.284 228 I C 1.369 177.468 176.117 -0.031 0.000 1.134 228 I CA 0.064 61.351 61.300 -0.022 0.000 1.410 228 I CB 0.946 38.930 38.000 -0.028 0.000 1.392 228 I HN 0.336 nan 8.210 nan 0.000 0.545 229 S N 4.080 119.764 115.700 -0.026 0.000 2.564 229 S HA 0.432 4.903 4.470 0.001 0.000 0.231 229 S C 0.530 175.111 174.600 -0.033 0.000 1.067 229 S CA -0.043 58.139 58.200 -0.029 0.000 0.908 229 S CB 0.586 63.773 63.200 -0.022 0.000 0.809 229 S HN 0.662 nan 8.310 nan 0.000 0.491 230 A N 0.916 123.718 122.820 -0.030 0.000 2.435 230 A HA 0.777 5.097 4.320 0.001 0.000 0.304 230 A C -1.222 176.343 177.584 -0.032 0.000 1.064 230 A CA -0.666 51.352 52.037 -0.032 0.000 0.727 230 A CB 1.950 20.934 19.000 -0.027 0.000 1.284 230 A HN 0.368 nan 8.150 nan 0.000 0.415 231 V N 2.871 122.762 119.914 -0.038 0.000 2.357 231 V HA 0.229 4.349 4.120 0.001 0.000 0.281 231 V C -0.902 175.171 176.094 -0.035 0.000 1.015 231 V CA -0.708 61.570 62.300 -0.037 0.000 0.827 231 V CB 1.125 32.921 31.823 -0.045 0.000 1.018 231 V HN 0.959 nan 8.190 nan 0.000 0.432 232 D N 3.242 123.625 120.400 -0.028 0.000 2.506 232 D HA 0.036 4.676 4.640 0.001 0.000 0.234 232 D C 0.393 176.678 176.300 -0.025 0.000 1.143 232 D CA 0.622 54.607 54.000 -0.025 0.000 0.871 232 D CB 0.363 41.152 40.800 -0.019 0.000 1.190 232 D HN 0.485 nan 8.370 nan 0.000 0.459 233 N N 0.397 119.082 118.700 -0.025 0.000 2.441 233 N HA 0.333 5.074 4.740 0.001 0.000 0.251 233 N C 1.394 176.894 175.510 -0.016 0.000 1.242 233 N CA 1.085 54.121 53.050 -0.023 0.000 0.898 233 N CB 0.643 39.116 38.487 -0.023 0.000 1.100 233 N HN 0.588 nan 8.380 nan 0.000 0.443 234 G N -0.286 108.507 108.800 -0.011 0.000 2.184 234 G HA2 -0.339 3.622 3.960 0.001 0.000 0.264 234 G HA3 -0.339 3.622 3.960 0.001 0.000 0.264 234 G C 1.201 176.100 174.900 -0.003 0.000 0.975 234 G CA 0.719 45.816 45.100 -0.005 0.000 0.642 234 G HN 0.513 nan 8.290 nan 0.000 0.536 235 S N -0.100 115.596 115.700 -0.007 0.000 2.335 235 S HA 0.000 4.471 4.470 0.001 0.000 0.216 235 S C 2.263 176.866 174.600 0.005 0.000 1.032 235 S CA 1.460 59.656 58.200 -0.008 0.000 1.000 235 S CB -0.245 62.944 63.200 -0.018 0.000 0.928 235 S HN 0.273 nan 8.310 nan 0.000 0.434 236 L N 1.746 122.976 121.223 0.013 0.000 2.127 236 L HA -0.043 4.298 4.340 0.001 0.000 0.211 236 L C 2.512 179.468 176.870 0.145 0.000 1.089 236 L CA 1.452 56.322 54.840 0.049 0.000 0.757 236 L CB -1.501 40.567 42.059 0.015 0.000 0.899 236 L HN 0.327 nan 8.230 nan 0.000 0.434 237 A N -0.852 122.021 122.820 0.089 0.000 2.015 237 A HA -0.164 4.157 4.320 0.001 0.000 0.219 237 A C 2.035 179.616 177.584 -0.005 0.000 1.163 237 A CA 1.338 53.400 52.037 0.042 0.000 0.646 237 A CB -0.487 18.518 19.000 0.008 0.000 0.806 237 A HN 0.458 nan 8.150 nan 0.000 0.448 238 N N 0.081 118.783 118.700 0.003 0.000 2.459 238 N HA -0.058 4.683 4.740 0.001 0.000 0.181 238 N C 0.446 175.946 175.510 -0.016 0.000 1.046 238 N CA 1.477 54.519 53.050 -0.014 0.000 0.904 238 N CB -0.130 38.351 38.487 -0.011 0.000 0.964 238 N HN 0.605 nan 8.380 nan 0.000 0.444 239 T N -1.522 113.040 114.554 0.013 0.000 3.427 239 T HA 0.266 4.617 4.350 0.001 0.000 0.306 239 T C -1.868 172.867 174.700 0.058 0.000 1.733 239 T CA -1.672 60.440 62.100 0.021 0.000 1.599 239 T CB 1.634 70.520 68.868 0.029 0.000 0.964 239 T HN -0.072 nan 8.240 nan 0.000 0.701 240 P HA -0.192 nan 4.420 nan 0.000 0.217 240 P C 0.464 177.347 177.300 -0.694 0.000 1.148 240 P CA 1.449 64.252 63.100 -0.495 0.000 0.834 240 P CB -0.127 31.201 31.700 -0.620 0.000 0.783 241 H N -1.661 117.295 119.070 -0.189 0.000 2.487 241 H HA 0.269 4.826 4.556 0.001 0.000 0.290 241 H C 0.483 175.828 175.328 0.028 0.000 1.081 241 H CA -0.907 54.961 56.048 -0.299 0.000 1.116 241 H CB -0.384 29.096 29.762 -0.470 0.000 1.560 241 H HN 0.016 nan 8.280 nan 0.000 0.548 242 L N 1.602 122.967 121.223 0.236 0.000 2.513 242 L HA 0.033 4.373 4.340 0.001 0.000 0.272 242 L C 1.387 178.357 176.870 0.167 0.000 1.187 242 L CA 0.640 55.563 54.840 0.138 0.000 0.895 242 L CB 0.537 42.614 42.059 0.031 0.000 1.147 242 L HN 0.252 nan 8.230 nan 0.000 0.483 243 R N 2.529 123.091 120.500 0.103 0.000 2.191 243 R HA 0.248 4.588 4.340 0.001 0.000 0.196 243 R C -0.347 175.980 176.300 0.046 0.000 0.991 243 R CA 0.177 56.340 56.100 0.105 0.000 1.075 243 R CB 0.443 30.808 30.300 0.110 0.000 1.040 243 R HN 0.763 nan 8.270 nan 0.000 0.526 244 E N 1.272 121.479 120.200 0.011 0.000 2.199 244 E HA 0.257 4.607 4.350 0.001 0.000 0.265 244 E C -1.697 174.895 176.600 -0.013 0.000 0.882 244 E CA -0.740 55.658 56.400 -0.004 0.000 0.759 244 E CB 2.452 32.143 29.700 -0.015 0.000 1.148 244 E HN -0.035 nan 8.360 nan 0.000 0.412 245 L N 3.269 124.514 121.223 0.035 0.000 2.372 245 L HA 0.289 4.629 4.340 0.001 0.000 0.273 245 L C -1.424 175.542 176.870 0.159 0.000 0.989 245 L CA -0.323 54.543 54.840 0.045 0.000 0.841 245 L CB 0.896 42.950 42.059 -0.008 0.000 1.225 245 L HN 0.579 nan 8.230 nan 0.000 0.414 246 H N 6.664 125.694 119.070 -0.066 0.000 2.581 246 H HA 0.395 4.952 4.556 0.001 0.000 0.308 246 H C -0.021 175.294 175.328 -0.023 0.000 1.040 246 H CA -0.484 55.562 56.048 -0.004 0.000 1.231 246 H CB 1.614 31.420 29.762 0.074 0.000 1.396 246 H HN 0.612 nan 8.280 nan 0.000 0.467 247 L N 3.271 124.511 121.223 0.029 0.000 3.122 247 L HA 0.057 4.397 4.340 0.001 0.000 0.274 247 L C 0.641 177.400 176.870 -0.185 0.000 1.222 247 L CA -0.371 54.435 54.840 -0.056 0.000 1.028 247 L CB 0.076 42.104 42.059 -0.051 0.000 1.386 247 L HN 0.623 nan 8.230 nan 0.000 0.578 248 N N -0.119 118.394 118.700 -0.312 0.000 2.453 248 N HA -0.062 4.679 4.740 0.001 0.000 0.253 248 N C -0.292 174.864 175.510 -0.591 0.000 1.252 248 N CA -0.043 52.624 53.050 -0.637 0.000 0.917 248 N CB 0.276 37.979 38.487 -1.306 0.000 1.117 248 N HN 0.086 nan 8.380 nan 0.000 0.442 249 N N -0.621 117.725 118.700 -0.591 0.000 2.746 249 N HA -0.152 4.589 4.740 0.001 0.000 0.250 249 N C -1.216 174.085 175.510 -0.348 0.000 1.055 249 N CA 0.639 53.345 53.050 -0.573 0.000 0.699 249 N CB -0.850 36.864 38.487 -1.288 0.000 0.919 249 N HN 0.630 nan 8.380 nan 0.000 0.548 250 N N -0.019 118.547 118.700 -0.224 0.000 3.512 250 N HA 0.402 5.142 4.740 0.001 0.000 0.360 250 N C -0.272 175.183 175.510 -0.090 0.000 1.593 250 N CA -0.495 52.480 53.050 -0.126 0.000 0.672 250 N CB 0.696 39.118 38.487 -0.109 0.000 2.105 250 N HN 0.063 nan 8.380 nan 0.000 0.645 251 K N 0.921 121.282 120.400 -0.065 0.000 2.972 251 K HA 0.424 4.744 4.320 0.001 0.000 0.209 251 K C -0.570 176.000 176.600 -0.050 0.000 1.128 251 K CA -0.094 56.163 56.287 -0.049 0.000 1.024 251 K CB 0.380 32.862 32.500 -0.030 0.000 0.754 251 K HN 0.276 nan 8.250 nan 0.000 0.454 252 L N 1.489 122.675 121.223 -0.063 0.000 2.426 252 L HA 0.073 4.413 4.340 0.001 0.000 0.271 252 L C 1.421 178.258 176.870 -0.055 0.000 1.169 252 L CA -0.268 54.537 54.840 -0.060 0.000 0.836 252 L CB 0.805 42.822 42.059 -0.070 0.000 1.112 252 L HN 0.081 nan 8.230 nan 0.000 0.465 253 V N -0.614 119.270 119.914 -0.051 0.000 3.528 253 V HA 0.261 4.382 4.120 0.001 0.000 0.294 253 V C 0.078 176.140 176.094 -0.054 0.000 1.404 253 V CA 0.025 62.297 62.300 -0.047 0.000 1.065 253 V CB -0.665 31.134 31.823 -0.040 0.000 0.904 253 V HN 0.925 nan 8.190 nan 0.000 0.435 254 K N 0.065 120.427 120.400 -0.063 0.000 2.597 254 K HA 0.646 4.967 4.320 0.001 0.000 0.282 254 K C -0.857 175.687 176.600 -0.094 0.000 0.975 254 K CA -0.451 55.790 56.287 -0.077 0.000 0.867 254 K CB 2.233 34.686 32.500 -0.079 0.000 1.465 254 K HN 0.269 nan 8.250 nan 0.000 0.417 255 V N -0.560 119.276 119.914 -0.130 0.000 2.637 255 V HA 0.337 4.458 4.120 0.001 0.000 0.296 255 V C -2.007 173.980 176.094 -0.178 0.000 1.046 255 V CA -1.138 61.054 62.300 -0.180 0.000 1.066 255 V CB -0.205 31.393 31.823 -0.375 0.000 0.968 255 V HN 0.778 nan 8.190 nan 0.000 0.483 256 P HA 0.178 nan 4.420 nan 0.000 0.267 256 P C 0.432 177.651 177.300 -0.135 0.000 1.200 256 P CA 0.469 63.501 63.100 -0.114 0.000 0.772 256 P CB 0.479 32.128 31.700 -0.085 0.000 0.855 257 G N 0.215 108.955 108.800 -0.101 0.000 2.572 257 G HA2 0.413 4.373 3.960 0.001 0.000 0.261 257 G HA3 0.413 4.373 3.960 0.001 0.000 0.261 257 G C 0.882 175.745 174.900 -0.062 0.000 1.197 257 G CA -0.025 45.020 45.100 -0.092 0.000 0.870 257 G HN 0.839 nan 8.290 nan 0.000 0.548 258 G N -0.721 108.054 108.800 -0.043 0.000 2.217 258 G HA2 -0.291 3.670 3.960 0.001 0.000 0.246 258 G HA3 -0.291 3.670 3.960 0.001 0.000 0.246 258 G C 1.388 176.316 174.900 0.046 0.000 0.990 258 G CA 0.557 45.662 45.100 0.007 0.000 0.627 258 G HN 0.619 nan 8.290 nan 0.000 0.522 259 L N 0.427 121.651 121.223 0.001 0.000 2.079 259 L HA -0.006 4.335 4.340 0.001 0.000 0.210 259 L C 3.316 180.278 176.870 0.153 0.000 1.081 259 L CA 1.995 56.879 54.840 0.072 0.000 0.752 259 L CB -0.669 41.395 42.059 0.008 0.000 0.896 259 L HN 0.460 nan 8.230 nan 0.000 0.433 260 A N -0.262 122.604 122.820 0.078 0.000 1.933 260 A HA -0.202 4.118 4.320 0.001 0.000 0.218 260 A C 1.915 179.548 177.584 0.083 0.000 1.175 260 A CA 1.840 53.930 52.037 0.089 0.000 0.628 260 A CB -0.356 18.657 19.000 0.023 0.000 0.814 260 A HN 0.392 nan 8.150 nan 0.000 0.444 261 D N -1.248 119.195 120.400 0.071 0.000 2.183 261 D HA -0.040 4.601 4.640 0.001 0.000 0.205 261 D C 0.705 177.048 176.300 0.073 0.000 0.962 261 D CA 0.265 54.297 54.000 0.053 0.000 0.849 261 D CB -0.555 40.263 40.800 0.030 0.000 0.978 261 D HN 0.519 nan 8.370 nan 0.000 0.488 262 H N 1.811 120.893 119.070 0.021 0.000 3.092 262 H HA -0.055 4.502 4.556 0.001 0.000 0.332 262 H C 0.933 176.273 175.328 0.020 0.000 1.029 262 H CA 0.794 56.860 56.048 0.030 0.000 1.376 262 H CB 0.917 30.704 29.762 0.042 0.000 1.329 262 H HN -0.128 nan 8.280 nan 0.000 0.598 263 K N 4.318 124.690 120.400 -0.048 0.000 2.360 263 K HA -0.012 4.309 4.320 0.001 0.000 0.196 263 K C 0.730 177.257 176.600 -0.123 0.000 1.049 263 K CA 0.407 56.661 56.287 -0.055 0.000 1.049 263 K CB 0.603 33.046 32.500 -0.096 0.000 0.881 263 K HN 0.548 nan 8.250 nan 0.000 0.542 264 Y N 0.168 120.535 120.300 0.110 0.000 2.444 264 Y HA 0.225 4.776 4.550 0.001 0.000 0.252 264 Y C 0.792 176.784 175.900 0.154 0.000 1.091 264 Y CA -1.259 56.929 58.100 0.145 0.000 1.276 264 Y CB 0.358 38.912 38.460 0.156 0.000 1.170 264 Y HN -0.138 nan 8.280 nan 0.000 0.517 265 I N 1.382 122.154 120.570 0.337 0.000 2.752 265 I HA -0.130 4.040 4.170 0.001 0.000 0.289 265 I C 0.755 176.843 176.117 -0.049 0.000 1.197 265 I CA 1.121 62.451 61.300 0.050 0.000 1.432 265 I CB 0.656 38.598 38.000 -0.097 0.000 1.359 265 I HN 0.326 nan 8.210 nan 0.000 0.571 266 Q N 4.441 124.262 119.800 0.035 0.000 2.313 266 Q HA 0.301 4.642 4.340 0.001 0.000 0.263 266 Q C -0.809 175.304 176.000 0.188 0.000 0.820 266 Q CA 0.048 55.880 55.803 0.048 0.000 0.974 266 Q CB 1.115 29.877 28.738 0.039 0.000 1.156 266 Q HN 0.496 nan 8.270 nan 0.000 0.517 267 V N 1.703 121.686 119.914 0.115 0.000 2.444 267 V HA 0.406 4.527 4.120 0.001 0.000 0.294 267 V C -0.665 175.413 176.094 -0.027 0.000 1.022 267 V CA -0.659 61.647 62.300 0.010 0.000 0.850 267 V CB 2.016 33.752 31.823 -0.145 0.000 0.992 267 V HN -0.135 nan 8.190 nan 0.000 0.426 268 V N 5.513 125.436 119.914 0.014 0.000 2.398 268 V HA 0.399 4.520 4.120 0.001 0.000 0.282 268 V C -0.941 175.239 176.094 0.143 0.000 1.014 268 V CA -0.576 61.763 62.300 0.064 0.000 0.838 268 V CB 1.200 33.142 31.823 0.199 0.000 1.018 268 V HN 0.775 nan 8.190 nan 0.000 0.432 269 Y N 5.338 125.596 120.300 -0.070 0.000 2.367 269 Y HA 0.458 5.009 4.550 0.001 0.000 0.342 269 Y C 0.803 176.579 175.900 -0.207 0.000 0.979 269 Y CA -0.769 57.240 58.100 -0.152 0.000 1.161 269 Y CB 1.494 39.768 38.460 -0.309 0.000 1.155 269 Y HN 0.520 nan 8.280 nan 0.000 0.503 270 L N 3.821 125.013 121.223 -0.050 0.000 3.184 270 L HA 0.122 4.462 4.340 0.001 0.000 0.283 270 L C 0.125 176.826 176.870 -0.282 0.000 1.218 270 L CA -0.472 54.279 54.840 -0.149 0.000 1.028 270 L CB -0.081 41.969 42.059 -0.015 0.000 1.400 270 L HN 0.721 nan 8.230 nan 0.000 0.591 271 H N -1.912 116.889 119.070 -0.448 0.000 2.836 271 H HA 0.189 4.745 4.556 0.001 0.000 0.368 271 H C 0.156 175.230 175.328 -0.423 0.000 1.164 271 H CA -0.319 55.313 56.048 -0.693 0.000 1.425 271 H CB -0.019 28.743 29.762 -1.667 0.000 1.414 271 H HN 0.070 nan 8.280 nan 0.000 0.614 272 N N 0.696 119.275 118.700 -0.202 0.000 2.726 272 N HA -0.219 4.522 4.740 0.001 0.000 0.253 272 N C -1.267 174.140 175.510 -0.172 0.000 1.059 272 N CA 0.913 53.882 53.050 -0.134 0.000 0.701 272 N CB -0.940 37.475 38.487 -0.121 0.000 0.899 272 N HN 0.724 nan 8.380 nan 0.000 0.548 273 N N -0.384 118.238 118.700 -0.129 0.000 3.343 273 N HA 0.378 5.118 4.740 0.001 0.000 0.330 273 N C -0.339 175.131 175.510 -0.066 0.000 1.560 273 N CA -0.583 52.402 53.050 -0.108 0.000 0.752 273 N CB 0.728 39.144 38.487 -0.119 0.000 1.863 273 N HN 0.197 nan 8.380 nan 0.000 0.636 274 N N 0.361 119.027 118.700 -0.057 0.000 2.467 274 N HA 0.370 5.111 4.740 0.001 0.000 0.278 274 N C -1.139 174.346 175.510 -0.043 0.000 1.306 274 N CA -0.121 52.904 53.050 -0.041 0.000 0.905 274 N CB -0.200 38.267 38.487 -0.033 0.000 1.236 274 N HN 0.408 nan 8.380 nan 0.000 0.509 275 I N 0.900 121.442 120.570 -0.048 0.000 2.452 275 I HA 0.042 4.213 4.170 0.001 0.000 0.287 275 I C 1.046 177.133 176.117 -0.051 0.000 1.079 275 I CA -0.054 61.217 61.300 -0.048 0.000 1.387 275 I CB 1.094 39.069 38.000 -0.041 0.000 1.404 275 I HN 0.279 nan 8.210 nan 0.000 0.522 276 S N 4.032 119.699 115.700 -0.055 0.000 2.559 276 S HA 0.572 5.043 4.470 0.001 0.000 0.226 276 S C 0.313 174.863 174.600 -0.083 0.000 1.000 276 S CA -0.219 57.941 58.200 -0.067 0.000 0.948 276 S CB 0.568 63.737 63.200 -0.052 0.000 0.870 276 S HN 0.693 nan 8.310 nan 0.000 0.497 277 A N 0.969 123.744 122.820 -0.074 0.000 2.574 277 A HA 0.790 5.110 4.320 0.001 0.000 0.297 277 A C -1.423 176.119 177.584 -0.070 0.000 1.062 277 A CA -0.736 51.253 52.037 -0.079 0.000 0.686 277 A CB 1.055 20.013 19.000 -0.070 0.000 1.285 277 A HN 0.383 nan 8.150 nan 0.000 0.403 278 I N 2.159 122.686 120.570 -0.072 0.000 2.531 278 I HA 0.405 4.575 4.170 0.001 0.000 0.283 278 I C 0.772 176.835 176.117 -0.090 0.000 1.083 278 I CA -0.546 60.717 61.300 -0.062 0.000 1.071 278 I CB 1.812 39.816 38.000 0.006 0.000 1.210 278 I HN 0.855 nan 8.210 nan 0.000 0.450 279 G N 2.626 111.362 108.800 -0.105 0.000 2.606 279 G HA2 0.187 4.148 3.960 0.001 0.000 0.252 279 G HA3 0.187 4.148 3.960 0.001 0.000 0.252 279 G C 1.048 175.874 174.900 -0.124 0.000 1.206 279 G CA -0.003 45.034 45.100 -0.105 0.000 0.861 279 G HN 0.730 nan 8.290 nan 0.000 0.561 280 S N -0.098 115.534 115.700 -0.114 0.000 2.474 280 S HA -0.082 4.388 4.470 0.001 0.000 0.235 280 S C 1.211 175.738 174.600 -0.122 0.000 0.997 280 S CA 0.810 58.932 58.200 -0.130 0.000 0.949 280 S CB 0.010 63.149 63.200 -0.101 0.000 0.766 280 S HN 0.496 nan 8.310 nan 0.000 0.517 281 N N 1.060 119.697 118.700 -0.106 0.000 2.238 281 N HA 0.199 4.939 4.740 0.001 0.000 0.222 281 N C -0.299 175.142 175.510 -0.115 0.000 1.133 281 N CA 0.083 53.080 53.050 -0.089 0.000 0.854 281 N CB 0.459 38.903 38.487 -0.072 0.000 1.041 281 N HN 0.297 nan 8.380 nan 0.000 0.510 282 D N -0.439 119.854 120.400 -0.177 0.000 2.224 282 D HA 0.017 4.657 4.640 0.001 0.000 0.205 282 D C 0.871 176.835 176.300 -0.560 0.000 0.965 282 D CA 1.042 54.822 54.000 -0.365 0.000 0.852 282 D CB 0.159 40.685 40.800 -0.457 0.000 0.947 282 D HN 0.265 nan 8.370 nan 0.000 0.494 283 F N -1.027 118.864 119.950 -0.098 0.000 2.640 283 F HA 0.233 4.760 4.527 0.001 0.000 0.285 283 F C 0.692 176.574 175.800 0.136 0.000 1.031 283 F CA -0.170 57.810 58.000 -0.033 0.000 1.240 283 F CB 0.611 39.480 39.000 -0.218 0.000 1.011 283 F HN -0.208 nan 8.300 nan 0.000 0.656 284 c N 2.654 121.378 118.600 0.206 0.000 2.456 284 c HA 0.520 5.090 4.570 0.001 0.000 0.325 284 c C -2.043 172.068 174.090 0.035 0.000 1.217 284 c CA -1.767 54.648 56.329 0.143 0.000 1.687 284 c CB 1.648 44.195 42.510 0.061 0.000 2.270 284 c HN 0.017 nan 8.230 nan 0.000 0.499 285 P HA 0.203 nan 4.420 nan 0.000 0.274 285 P C -2.145 175.127 177.300 -0.046 0.000 1.246 285 P CA -0.608 62.490 63.100 -0.003 0.000 0.795 285 P CB 0.048 31.758 31.700 0.016 0.000 1.006 286 P HA -0.278 nan 4.420 nan 0.000 0.229 286 P C 1.145 178.395 177.300 -0.084 0.000 1.147 286 P CA 2.941 66.011 63.100 -0.050 0.000 0.949 286 P CB -0.336 31.349 31.700 -0.024 0.000 0.786 287 G N -4.688 104.058 108.800 -0.090 0.000 2.581 287 G HA2 0.340 4.301 3.960 0.001 0.000 0.194 287 G HA3 0.340 4.301 3.960 0.001 0.000 0.194 287 G C -1.101 173.583 174.900 -0.359 0.000 1.814 287 G CA 0.055 45.058 45.100 -0.162 0.000 0.745 287 G HN 0.056 nan 8.290 nan 0.000 0.802 288 Y N 0.676 121.013 120.300 0.061 0.000 2.386 288 Y HA 0.554 5.105 4.550 0.001 0.000 0.334 288 Y C -0.762 175.175 175.900 0.061 0.000 1.002 288 Y CA -1.168 56.982 58.100 0.083 0.000 1.068 288 Y CB 2.156 40.673 38.460 0.096 0.000 1.203 288 Y HN 0.260 nan 8.280 nan 0.000 0.443 289 N N 1.667 120.487 118.700 0.200 0.000 2.518 289 N HA 0.101 4.842 4.740 0.001 0.000 0.254 289 N C 0.639 176.214 175.510 0.108 0.000 0.979 289 N CA -0.084 53.036 53.050 0.118 0.000 0.930 289 N CB 1.422 39.950 38.487 0.067 0.000 1.152 289 N HN 0.811 nan 8.380 nan 0.000 0.505 290 T N 0.450 115.054 114.554 0.083 0.000 2.977 290 T HA -0.038 4.312 4.350 0.001 0.000 0.271 290 T C 1.224 175.928 174.700 0.006 0.000 1.105 290 T CA 0.914 63.041 62.100 0.044 0.000 1.116 290 T CB 0.156 69.035 68.868 0.019 0.000 0.878 290 T HN 0.254 nan 8.240 nan 0.000 0.509 291 K N 1.039 121.438 120.400 -0.001 0.000 2.361 291 K HA 0.185 4.506 4.320 0.001 0.000 0.196 291 K C 0.953 177.501 176.600 -0.087 0.000 1.039 291 K CA 0.259 56.521 56.287 -0.041 0.000 1.001 291 K CB 0.080 32.564 32.500 -0.026 0.000 0.795 291 K HN 0.476 nan 8.250 nan 0.000 0.495 292 K N 1.690 122.061 120.400 -0.049 0.000 2.276 292 K HA 0.277 4.597 4.320 0.001 0.000 0.285 292 K C -0.529 176.013 176.600 -0.097 0.000 1.062 292 K CA -0.212 56.027 56.287 -0.080 0.000 0.918 292 K CB 0.897 33.383 32.500 -0.022 0.000 1.055 292 K HN -0.041 nan 8.250 nan 0.000 0.477 293 A N 3.143 125.856 122.820 -0.179 0.000 2.466 293 A HA 0.050 4.371 4.320 0.001 0.000 0.238 293 A C 0.069 177.568 177.584 -0.141 0.000 1.074 293 A CA -0.001 51.943 52.037 -0.154 0.000 0.774 293 A CB 0.480 19.368 19.000 -0.186 0.000 1.015 293 A HN 0.763 nan 8.150 nan 0.000 0.498 294 S N 0.619 116.296 115.700 -0.039 0.000 2.528 294 S HA 0.411 4.881 4.470 0.001 0.000 0.277 294 S C -0.485 174.105 174.600 -0.016 0.000 1.297 294 S CA -0.359 57.866 58.200 0.041 0.000 1.052 294 S CB -0.270 63.042 63.200 0.187 0.000 0.917 294 S HN 0.366 nan 8.310 nan 0.000 0.492 295 Y N 2.950 123.304 120.300 0.090 0.000 2.511 295 Y HA 0.112 4.662 4.550 0.001 0.000 0.332 295 Y C 1.798 177.728 175.900 0.049 0.000 1.177 295 Y CA 0.561 58.697 58.100 0.060 0.000 1.422 295 Y CB 0.837 39.318 38.460 0.035 0.000 1.271 295 Y HN 0.845 nan 8.280 nan 0.000 0.550 296 S N 0.593 116.412 115.700 0.199 0.000 2.526 296 S HA 0.468 4.938 4.470 0.001 0.000 0.220 296 S C 0.478 175.154 174.600 0.125 0.000 1.017 296 S CA 0.247 58.528 58.200 0.134 0.000 0.930 296 S CB 0.275 63.537 63.200 0.103 0.000 0.856 296 S HN 0.870 nan 8.310 nan 0.000 0.497 297 G N 0.403 109.294 108.800 0.151 0.000 2.715 297 G HA2 0.529 4.489 3.960 0.001 0.000 0.297 297 G HA3 0.529 4.489 3.960 0.001 0.000 0.297 297 G C -1.896 173.083 174.900 0.132 0.000 1.386 297 G CA -0.449 44.742 45.100 0.152 0.000 1.157 297 G HN 0.370 nan 8.290 nan 0.000 0.585 298 V N 1.657 121.586 119.914 0.026 0.000 2.612 298 V HA 0.701 4.821 4.120 0.001 0.000 0.301 298 V C -0.008 176.043 176.094 -0.071 0.000 1.059 298 V CA -0.811 61.440 62.300 -0.083 0.000 0.886 298 V CB 1.862 33.412 31.823 -0.456 0.000 1.007 298 V HN 1.194 nan 8.190 nan 0.000 0.426 299 S N 5.115 120.831 115.700 0.027 0.000 2.454 299 S HA 0.824 5.294 4.470 0.001 0.000 0.306 299 S C -0.312 174.199 174.600 -0.148 0.000 1.100 299 S CA -0.611 57.530 58.200 -0.098 0.000 1.087 299 S CB 1.726 64.791 63.200 -0.225 0.000 1.019 299 S HN 0.574 nan 8.310 nan 0.000 0.480 300 L N 1.720 122.848 121.223 -0.158 0.000 3.386 300 L HA 0.354 4.694 4.340 0.001 0.000 0.307 300 L C -0.351 176.474 176.870 -0.076 0.000 1.235 300 L CA -0.518 54.261 54.840 -0.101 0.000 1.056 300 L CB 0.170 42.231 42.059 0.003 0.000 1.453 300 L HN 0.795 nan 8.230 nan 0.000 0.615 301 F N -1.163 118.783 119.950 -0.007 0.000 2.490 301 F HA 0.392 4.919 4.527 0.001 0.000 0.336 301 F C 1.264 177.075 175.800 0.017 0.000 1.178 301 F CA -0.480 57.511 58.000 -0.016 0.000 1.301 301 F CB 0.081 39.039 39.000 -0.070 0.000 1.175 301 F HN -0.006 nan 8.300 nan 0.000 0.593 302 S N 1.265 117.112 115.700 0.246 0.000 3.797 302 S HA -0.209 4.261 4.470 0.001 0.000 0.374 302 S C -0.720 173.903 174.600 0.038 0.000 0.970 302 S CA 0.416 58.705 58.200 0.148 0.000 1.177 302 S CB -1.950 61.374 63.200 0.207 0.000 0.891 302 S HN 0.853 nan 8.310 nan 0.000 0.491 303 N N -0.602 118.112 118.700 0.024 0.000 2.525 303 N HA 0.363 5.103 4.740 0.001 0.000 0.270 303 N C -2.293 173.210 175.510 -0.011 0.000 1.321 303 N CA -1.559 51.483 53.050 -0.013 0.000 0.797 303 N CB 1.885 40.353 38.487 -0.032 0.000 1.529 303 N HN -0.117 nan 8.380 nan 0.000 0.491 304 P HA -0.076 nan 4.420 nan 0.000 0.217 304 P C 0.203 177.452 177.300 -0.085 0.000 1.150 304 P CA 0.950 64.029 63.100 -0.035 0.000 0.832 304 P CB 0.168 31.848 31.700 -0.035 0.000 0.787 305 V N -0.948 118.901 119.914 -0.108 0.000 2.599 305 V HA 0.037 4.157 4.120 0.001 0.000 0.300 305 V C 0.317 176.274 176.094 -0.228 0.000 1.034 305 V CA -0.164 62.020 62.300 -0.194 0.000 1.115 305 V CB -0.313 31.426 31.823 -0.139 0.000 0.934 305 V HN 0.011 nan 8.190 nan 0.000 0.485 306 Q N 3.129 122.636 119.800 -0.488 0.000 2.241 306 Q HA 0.324 4.665 4.340 0.001 0.000 0.262 306 Q C 0.739 176.417 176.000 -0.536 0.000 1.014 306 Q CA -0.537 54.951 55.803 -0.526 0.000 0.885 306 Q CB 1.309 29.487 28.738 -0.932 0.000 1.311 306 Q HN 0.932 nan 8.270 nan 0.000 0.461 307 Y N -0.105 120.058 120.300 -0.229 0.000 2.207 307 Y HA -0.183 4.367 4.550 0.001 0.000 0.287 307 Y C 1.555 177.425 175.900 -0.050 0.000 1.156 307 Y CA 1.446 59.504 58.100 -0.070 0.000 1.182 307 Y CB -0.522 37.964 38.460 0.043 0.000 0.979 307 Y HN 0.707 nan 8.280 nan 0.000 0.521 308 W N 1.725 122.419 121.300 -1.009 0.000 2.961 308 W HA 0.120 4.781 4.660 0.001 0.000 0.240 308 W C -0.009 176.355 176.519 -0.257 0.000 1.305 308 W CA 0.671 57.614 57.345 -0.670 0.000 1.465 308 W CB -0.702 28.290 29.460 -0.780 0.000 1.135 308 W HN 0.345 nan 8.180 nan 0.000 0.688 309 E N 0.968 120.836 120.200 -0.553 0.000 2.501 309 E HA 0.237 4.587 4.350 0.001 0.000 0.200 309 E C 0.094 176.586 176.600 -0.181 0.000 1.016 309 E CA -0.017 56.163 56.400 -0.367 0.000 0.921 309 E CB 0.369 29.705 29.700 -0.607 0.000 1.034 309 E HN 0.213 nan 8.360 nan 0.000 0.468 310 I N 1.782 122.287 120.570 -0.107 0.000 2.418 310 I HA 0.163 4.334 4.170 0.001 0.000 0.287 310 I C -0.251 175.860 176.117 -0.010 0.000 1.008 310 I CA -1.148 60.122 61.300 -0.050 0.000 1.104 310 I CB 1.551 39.558 38.000 0.012 0.000 1.264 310 I HN -0.202 nan 8.210 nan 0.000 0.438 311 Q N 7.265 127.040 119.800 -0.041 0.000 2.304 311 Q HA 0.019 4.360 4.340 0.001 0.000 0.301 311 Q C -1.629 174.362 176.000 -0.015 0.000 1.063 311 Q CA -0.591 55.199 55.803 -0.022 0.000 0.947 311 Q CB 0.328 29.038 28.738 -0.046 0.000 1.201 311 Q HN 0.345 nan 8.270 nan 0.000 0.389 312 P HA -0.243 nan 4.420 nan 0.000 0.216 312 P C 0.885 178.208 177.300 0.038 0.000 1.150 312 P CA 1.738 64.885 63.100 0.078 0.000 0.843 312 P CB 0.137 31.887 31.700 0.082 0.000 0.787 313 S N -1.910 113.783 115.700 -0.012 0.000 2.419 313 S HA -0.172 4.299 4.470 0.001 0.000 0.233 313 S C 1.835 176.357 174.600 -0.131 0.000 1.016 313 S CA 1.835 60.007 58.200 -0.047 0.000 0.974 313 S CB -2.046 61.124 63.200 -0.050 0.000 0.786 313 S HN 0.113 nan 8.310 nan 0.000 0.492 314 T N 1.475 115.886 114.554 -0.237 0.000 2.751 314 T HA -0.099 4.252 4.350 0.001 0.000 0.268 314 T C 0.318 174.657 174.700 -0.603 0.000 1.045 314 T CA 1.444 63.265 62.100 -0.465 0.000 1.142 314 T CB -0.532 67.908 68.868 -0.713 0.000 0.851 314 T HN 0.587 nan 8.240 nan 0.000 0.474 315 F N 0.998 120.907 119.950 -0.069 0.000 2.923 315 F HA 0.339 4.867 4.527 0.001 0.000 0.314 315 F C 1.572 177.292 175.800 -0.132 0.000 1.196 315 F CA -1.196 56.729 58.000 -0.124 0.000 1.320 315 F CB -0.263 38.635 39.000 -0.170 0.000 0.953 315 F HN 0.073 nan 8.300 nan 0.000 0.505 316 R N -0.299 120.182 120.500 -0.031 0.000 2.152 316 R HA -0.150 4.190 4.340 0.001 0.000 0.232 316 R C 1.490 177.697 176.300 -0.156 0.000 1.117 316 R CA 1.670 57.727 56.100 -0.072 0.000 0.981 316 R CB -1.398 28.790 30.300 -0.186 0.000 0.870 316 R HN 0.478 nan 8.270 nan 0.000 0.451 317 c N 0.023 118.546 118.600 -0.128 0.000 2.396 317 c HA 0.540 5.111 4.570 0.001 0.000 0.334 317 c C 0.281 174.199 174.090 -0.287 0.000 1.313 317 c CA -1.114 55.133 56.329 -0.137 0.000 1.719 317 c CB -0.882 41.700 42.510 0.120 0.000 1.893 317 c HN 0.139 nan 8.230 nan 0.000 0.589 318 V N 1.535 121.188 119.914 -0.436 0.000 2.409 318 V HA 0.326 4.446 4.120 0.001 0.000 0.290 318 V C -0.328 175.510 176.094 -0.427 0.000 1.017 318 V CA -0.227 61.917 62.300 -0.260 0.000 0.841 318 V CB 0.806 32.596 31.823 -0.056 0.000 1.003 318 V HN 0.456 nan 8.190 nan 0.000 0.426 319 Y N 2.803 123.172 120.300 0.114 0.000 2.481 319 Y HA 0.254 4.805 4.550 0.001 0.000 0.258 319 Y C 1.012 176.943 175.900 0.051 0.000 1.103 319 Y CA -0.244 57.906 58.100 0.083 0.000 1.287 319 Y CB 0.506 39.011 38.460 0.074 0.000 1.108 319 Y HN 0.379 nan 8.280 nan 0.000 0.529 320 V N 2.800 122.802 119.914 0.147 0.000 2.322 320 V HA 0.153 4.274 4.120 0.001 0.000 0.258 320 V C 1.471 177.576 176.094 0.019 0.000 1.074 320 V CA -0.603 61.748 62.300 0.085 0.000 0.909 320 V CB 0.728 32.600 31.823 0.081 0.000 1.090 320 V HN 0.259 nan 8.190 nan 0.000 0.486 321 R N 4.757 125.262 120.500 0.009 0.000 2.133 321 R HA -0.240 4.101 4.340 0.001 0.000 0.245 321 R C 2.052 178.310 176.300 -0.071 0.000 1.137 321 R CA 2.338 58.418 56.100 -0.034 0.000 0.947 321 R CB -0.680 29.610 30.300 -0.018 0.000 0.865 321 R HN 0.747 nan 8.270 nan 0.000 0.437 322 A N 0.040 122.832 122.820 -0.047 0.000 2.225 322 A HA 0.021 4.341 4.320 0.001 0.000 0.215 322 A C 2.224 179.768 177.584 -0.067 0.000 1.164 322 A CA 1.441 53.444 52.037 -0.058 0.000 0.710 322 A CB -0.489 18.491 19.000 -0.034 0.000 0.780 322 A HN 0.477 nan 8.150 nan 0.000 0.473 323 A N -0.528 122.251 122.820 -0.068 0.000 1.972 323 A HA 0.171 4.491 4.320 0.001 0.000 0.219 323 A C 1.031 178.525 177.584 -0.149 0.000 1.169 323 A CA 1.243 53.241 52.037 -0.065 0.000 0.635 323 A CB -0.427 18.551 19.000 -0.037 0.000 0.810 323 A HN 0.361 nan 8.150 nan 0.000 0.446 324 V N 0.867 120.618 119.914 -0.272 0.000 2.439 324 V HA 0.303 4.424 4.120 0.001 0.000 0.282 324 V C -0.416 175.527 176.094 -0.252 0.000 1.039 324 V CA -0.473 61.581 62.300 -0.409 0.000 0.913 324 V CB 1.250 32.566 31.823 -0.846 0.000 0.983 324 V HN 0.538 nan 8.190 nan 0.000 0.460 325 Q N 4.997 124.702 119.800 -0.159 0.000 2.333 325 Q HA 0.711 5.052 4.340 0.001 0.000 0.268 325 Q C -1.175 174.863 176.000 0.063 0.000 1.007 325 Q CA -0.398 55.392 55.803 -0.021 0.000 0.810 325 Q CB 2.426 31.228 28.738 0.106 0.000 1.264 325 Q HN 0.613 nan 8.270 nan 0.000 0.452 326 L N 0.000 121.249 121.223 0.043 0.000 2.949 326 L HA 0.000 4.340 4.340 0.001 0.000 0.249 326 L CA 0.000 54.898 54.840 0.097 0.000 0.813 326 L CB 0.000 42.098 42.059 0.065 0.000 0.961 326 L HN 0.000 nan 8.230 nan 0.000 0.502