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 3p4i_1_B DATA FIRST_RESID 8 DATA SEQUENCE ARRVLVINSG SSSLKFQLVD PESGVAASTG IVERIGEESS PVPDHDAALR DATA SEQUENCE RAFDMLAGDG VDLNTAGLVA VGHRVVHGGN TFYRPTVLDD AVIARLHELS DATA SEQUENCE ELAPLHNPPA LLGIEVARRL LPGIAHVAVF DTGFFHDLPP AAATYAIDRE DATA SEQUENCE LADRWQIRRY GFHGTSHRYV SEQAAAFLDR PLRGLKQIVL HLGNGCSASA DATA SEQUENCE IAGTRPLDTS MGLTPLEGLV MGTRSGDIDP SVVSYLCHTA GMGVDDVESM DATA SEQUENCE LNHRSGVVGL SGVRDFRRLR ELIESGDGAA QLAYSVFTHR LRKYIGAYLA DATA SEQUENCE VLGHTDVISF TAGIGENDAA VRRDAVSGME ELGIVLDERR NLPGAKGARQ DATA SEQUENCE ISADDSPITV LVVPTNEELA IARDCVRVLG G 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 8 A HA 0.000 nan 4.320 nan 0.000 0.244 8 A C 0.000 177.580 177.584 -0.007 0.000 1.274 8 A CA 0.000 52.035 52.037 -0.004 0.000 0.836 8 A CB 0.000 18.998 19.000 -0.002 0.000 0.831 9 R N 1.650 122.146 120.500 -0.007 0.000 2.720 9 R HA 0.919 5.252 4.340 -0.012 0.000 0.272 9 R C -0.678 175.615 176.300 -0.011 0.000 0.991 9 R CA -0.727 55.366 56.100 -0.011 0.000 1.010 9 R CB 1.545 31.839 30.300 -0.011 0.000 1.141 9 R HN 0.713 nan 8.270 nan 0.000 0.494 10 R N 0.661 121.151 120.500 -0.016 0.000 2.740 10 R HA 0.501 4.834 4.340 -0.012 0.000 0.273 10 R C -1.337 174.948 176.300 -0.025 0.000 0.998 10 R CA -1.037 55.053 56.100 -0.016 0.000 0.900 10 R CB 2.883 33.176 30.300 -0.011 0.000 1.223 10 R HN 0.397 nan 8.270 nan 0.000 0.466 11 V N 2.548 122.448 119.914 -0.023 0.000 2.604 11 V HA 0.385 4.498 4.120 -0.012 0.000 0.305 11 V C -0.833 175.244 176.094 -0.028 0.000 1.043 11 V CA -0.926 61.353 62.300 -0.037 0.000 0.888 11 V CB 1.958 33.758 31.823 -0.039 0.000 0.995 11 V HN 0.501 nan 8.190 nan 0.000 0.429 12 L N 5.824 127.023 121.223 -0.041 0.000 2.257 12 L HA 0.606 4.938 4.340 -0.012 0.000 0.290 12 L C -0.409 176.430 176.870 -0.052 0.000 1.044 12 L CA 0.309 55.140 54.840 -0.016 0.000 0.810 12 L CB 1.298 43.355 42.059 -0.003 0.000 1.193 12 L HN 0.480 nan 8.230 nan 0.000 0.425 13 V N 6.939 126.842 119.914 -0.017 0.000 2.435 13 V HA 0.489 4.602 4.120 -0.012 0.000 0.290 13 V C 0.127 176.213 176.094 -0.013 0.000 1.030 13 V CA -0.424 61.848 62.300 -0.048 0.000 0.881 13 V CB 1.501 33.300 31.823 -0.039 0.000 0.983 13 V HN 0.609 nan 8.190 nan 0.000 0.445 14 I N 4.166 124.695 120.570 -0.069 0.000 2.545 14 I HA 0.459 4.622 4.170 -0.012 0.000 0.292 14 I C -0.475 175.649 176.117 0.012 0.000 1.040 14 I CA -0.464 60.826 61.300 -0.016 0.000 1.068 14 I CB 2.138 40.087 38.000 -0.085 0.000 1.251 14 I HN 0.496 nan 8.210 nan 0.000 0.424 15 N N 3.858 122.590 118.700 0.054 0.000 2.524 15 N HA 0.219 4.951 4.740 -0.012 0.000 0.261 15 N C -1.251 174.315 175.510 0.094 0.000 0.998 15 N CA -0.086 53.000 53.050 0.060 0.000 0.915 15 N CB 1.739 40.251 38.487 0.042 0.000 1.187 15 N HN 0.477 nan 8.380 nan 0.000 0.507 16 S N 2.151 117.916 115.700 0.110 0.000 2.474 16 S HA 0.653 5.116 4.470 -0.012 0.000 0.320 16 S C 0.359 175.051 174.600 0.153 0.000 1.067 16 S CA -0.612 57.676 58.200 0.148 0.000 1.127 16 S CB -0.212 63.077 63.200 0.149 0.000 0.971 16 S HN 0.573 nan 8.310 nan 0.000 0.472 17 G N 2.045 110.951 108.800 0.176 0.000 2.537 17 G HA2 0.370 4.323 3.960 -0.012 0.000 0.297 17 G HA3 0.370 4.323 3.960 -0.012 0.000 0.297 17 G C 0.904 175.934 174.900 0.216 0.000 1.310 17 G CA -0.411 44.793 45.100 0.174 0.000 1.027 17 G HN 0.629 nan 8.290 nan 0.000 0.505 18 S N -1.360 114.430 115.700 0.150 0.000 2.383 18 S HA -0.067 4.396 4.470 -0.012 0.000 0.227 18 S C 2.150 176.824 174.600 0.124 0.000 1.026 18 S CA 1.922 60.206 58.200 0.141 0.000 0.981 18 S CB -0.097 63.139 63.200 0.060 0.000 0.818 18 S HN 0.411 nan 8.310 nan 0.000 0.472 19 S N -0.110 115.631 115.700 0.069 0.000 2.559 19 S HA 0.314 4.777 4.470 -0.012 0.000 0.226 19 S C -0.036 174.558 174.600 -0.009 0.000 1.030 19 S CA -0.051 58.159 58.200 0.016 0.000 0.956 19 S CB 0.829 64.035 63.200 0.010 0.000 0.900 19 S HN 0.627 nan 8.310 nan 0.000 0.510 20 S N 1.053 116.765 115.700 0.021 0.000 2.588 20 S HA 0.808 5.271 4.470 -0.012 0.000 0.275 20 S C -1.634 172.996 174.600 0.049 0.000 1.130 20 S CA -0.851 57.359 58.200 0.015 0.000 0.855 20 S CB 2.141 65.357 63.200 0.026 0.000 1.116 20 S HN 0.111 nan 8.310 nan 0.000 0.472 21 L N 1.064 122.317 121.223 0.049 0.000 2.439 21 L HA 0.760 5.093 4.340 -0.012 0.000 0.270 21 L C -1.337 175.610 176.870 0.128 0.000 0.972 21 L CA -0.604 54.293 54.840 0.095 0.000 0.836 21 L CB 1.402 43.513 42.059 0.087 0.000 1.255 21 L HN 0.833 nan 8.230 nan 0.000 0.404 22 K N 5.026 125.491 120.400 0.108 0.000 2.123 22 K HA 0.812 5.125 4.320 -0.012 0.000 0.259 22 K C -1.106 175.581 176.600 0.144 0.000 0.960 22 K CA -0.116 56.205 56.287 0.057 0.000 0.872 22 K CB 1.554 34.045 32.500 -0.014 0.000 1.079 22 K HN 0.554 nan 8.250 nan 0.000 0.440 23 F N -1.283 118.656 119.950 -0.018 0.000 2.645 23 F HA 0.564 5.085 4.527 -0.011 0.000 0.310 23 F C -1.402 174.385 175.800 -0.021 0.000 1.102 23 F CA -0.919 57.067 58.000 -0.023 0.000 0.952 23 F CB 1.835 40.825 39.000 -0.017 0.000 1.326 23 F HN 0.396 nan 8.300 nan 0.000 0.456 24 Q N 2.333 122.245 119.800 0.185 0.000 2.327 24 Q HA 0.494 4.826 4.340 -0.012 0.000 0.265 24 Q C -2.442 173.632 176.000 0.125 0.000 0.993 24 Q CA -0.921 54.933 55.803 0.085 0.000 0.885 24 Q CB 2.849 31.568 28.738 -0.032 0.000 1.379 24 Q HN 0.972 nan 8.270 nan 0.000 0.408 25 L N 4.696 125.997 121.223 0.130 0.000 2.255 25 L HA 0.649 4.982 4.340 -0.012 0.000 0.289 25 L C -1.434 175.457 176.870 0.034 0.000 1.046 25 L CA -0.223 54.663 54.840 0.077 0.000 0.816 25 L CB 1.412 43.523 42.059 0.086 0.000 1.197 25 L HN 0.474 nan 8.230 nan 0.000 0.427 26 V N 4.903 124.824 119.914 0.012 0.000 2.823 26 V HA 0.494 4.607 4.120 -0.012 0.000 0.312 26 V C -1.150 174.942 176.094 -0.003 0.000 1.072 26 V CA -0.715 61.585 62.300 -0.000 0.000 0.937 26 V CB 2.164 33.980 31.823 -0.013 0.000 1.013 26 V HN 0.795 nan 8.190 nan 0.000 0.430 27 D N 7.305 127.705 120.400 -0.001 0.000 2.316 27 D HA 0.374 5.007 4.640 -0.012 0.000 0.245 27 D C -1.607 174.693 176.300 0.001 0.000 1.171 27 D CA -1.998 52.002 54.000 -0.001 0.000 0.856 27 D CB 2.168 42.969 40.800 0.002 0.000 1.090 27 D HN 0.404 nan 8.370 nan 0.000 0.476 28 P HA -0.092 nan 4.420 nan 0.000 0.223 28 P C 0.624 177.933 177.300 0.014 0.000 1.151 28 P CA 0.806 63.910 63.100 0.006 0.000 0.787 28 P CB 0.666 32.368 31.700 0.003 0.000 0.788 29 E N 0.518 120.725 120.200 0.011 0.000 2.060 29 E HA -0.052 4.291 4.350 -0.012 0.000 0.189 29 E C 2.145 178.755 176.600 0.016 0.000 0.974 29 E CA 1.476 57.884 56.400 0.014 0.000 0.808 29 E CB -0.799 28.907 29.700 0.010 0.000 0.768 29 E HN 0.383 nan 8.360 nan 0.000 0.453 30 S N -0.537 115.171 115.700 0.014 0.000 2.486 30 S HA 0.219 4.682 4.470 -0.012 0.000 0.220 30 S C 1.753 176.364 174.600 0.018 0.000 1.011 30 S CA 0.723 58.932 58.200 0.015 0.000 0.921 30 S CB 0.269 63.475 63.200 0.010 0.000 0.785 30 S HN 0.360 nan 8.310 nan 0.000 0.517 31 G N 0.653 109.463 108.800 0.017 0.000 2.184 31 G HA2 -0.243 3.710 3.960 -0.012 0.000 0.264 31 G HA3 -0.243 3.710 3.960 -0.012 0.000 0.264 31 G C 0.068 174.973 174.900 0.008 0.000 0.975 31 G CA 0.141 45.251 45.100 0.017 0.000 0.642 31 G HN 0.700 nan 8.290 nan 0.000 0.536 32 V N 1.339 121.256 119.914 0.006 0.000 2.470 32 V HA 0.571 4.684 4.120 -0.012 0.000 0.276 32 V C 0.931 177.026 176.094 0.001 0.000 1.040 32 V CA 0.200 62.502 62.300 0.004 0.000 1.008 32 V CB 1.259 33.085 31.823 0.005 0.000 0.990 32 V HN 1.074 nan 8.190 nan 0.000 0.477 33 A N 4.557 127.375 122.820 -0.003 0.000 2.279 33 A HA 0.664 4.977 4.320 -0.012 0.000 0.306 33 A C 1.151 178.738 177.584 0.005 0.000 1.300 33 A CA 0.151 52.185 52.037 -0.004 0.000 0.925 33 A CB 0.832 19.822 19.000 -0.018 0.000 1.152 33 A HN 1.159 nan 8.150 nan 0.000 0.544 34 A N 1.980 124.809 122.820 0.016 0.000 2.119 34 A HA 0.424 4.737 4.320 -0.012 0.000 0.216 34 A C 1.026 178.634 177.584 0.040 0.000 1.152 34 A CA 1.227 53.279 52.037 0.024 0.000 0.708 34 A CB -0.060 18.955 19.000 0.025 0.000 0.805 34 A HN 1.329 nan 8.150 nan 0.000 0.460 35 S N -2.019 113.712 115.700 0.052 0.000 2.560 35 S HA 0.538 5.001 4.470 -0.012 0.000 0.283 35 S C -1.121 173.505 174.600 0.043 0.000 1.141 35 S CA -0.282 57.967 58.200 0.083 0.000 0.902 35 S CB 1.120 64.421 63.200 0.169 0.000 1.104 35 S HN 0.204 nan 8.310 nan 0.000 0.454 36 T N 2.395 116.904 114.554 -0.076 0.000 2.916 36 T HA 0.910 5.253 4.350 -0.012 0.000 0.305 36 T C -0.002 174.370 174.700 -0.546 0.000 1.119 36 T CA -0.153 61.753 62.100 -0.322 0.000 1.008 36 T CB 1.655 70.402 68.868 -0.201 0.000 1.129 36 T HN 1.258 nan 8.240 nan 0.000 0.480 37 G N 0.622 108.808 108.800 -1.024 0.000 2.342 37 G HA2 0.598 4.551 3.960 -0.012 0.000 0.297 37 G HA3 0.598 4.551 3.960 -0.012 0.000 0.297 37 G C -2.291 172.194 174.900 -0.692 0.000 1.313 37 G CA -0.580 44.028 45.100 -0.822 0.000 0.830 37 G HN 0.883 nan 8.290 nan 0.000 0.506 38 I N -0.344 120.113 120.570 -0.188 0.000 2.722 38 I HA 0.591 4.754 4.170 -0.012 0.000 0.292 38 I C -1.296 174.877 176.117 0.093 0.000 1.267 38 I CA -0.984 60.306 61.300 -0.016 0.000 1.036 38 I CB 2.186 40.154 38.000 -0.052 0.000 1.281 38 I HN 0.414 nan 8.210 nan 0.000 0.423 39 V N 6.597 126.576 119.914 0.108 0.000 2.384 39 V HA 0.503 4.616 4.120 -0.012 0.000 0.287 39 V C -0.208 175.893 176.094 0.010 0.000 1.020 39 V CA -0.450 61.883 62.300 0.055 0.000 0.850 39 V CB 1.375 33.216 31.823 0.030 0.000 0.987 39 V HN 0.707 nan 8.190 nan 0.000 0.436 40 E N 2.475 122.674 120.200 -0.002 0.000 2.299 40 E HA 0.772 5.115 4.350 -0.012 0.000 0.260 40 E C 0.464 177.049 176.600 -0.025 0.000 0.944 40 E CA -0.549 55.844 56.400 -0.011 0.000 0.815 40 E CB 1.377 31.075 29.700 -0.004 0.000 1.252 40 E HN 0.685 nan 8.360 nan 0.000 0.418 41 R N 0.649 121.135 120.500 -0.024 0.000 3.332 41 R HA -0.176 4.157 4.340 -0.012 0.000 0.263 41 R C -0.424 175.850 176.300 -0.043 0.000 1.053 41 R CA 1.026 57.109 56.100 -0.027 0.000 0.705 41 R CB -3.114 27.174 30.300 -0.020 0.000 1.166 41 R HN 0.450 nan 8.270 nan 0.000 0.427 42 I N 0.235 120.766 120.570 -0.065 0.000 2.471 42 I HA 0.494 4.657 4.170 -0.012 0.000 0.286 42 I C 1.848 177.927 176.117 -0.063 0.000 1.079 42 I CA 1.173 62.412 61.300 -0.102 0.000 1.398 42 I CB 1.407 39.275 38.000 -0.219 0.000 1.403 42 I HN 0.897 nan 8.210 nan 0.000 0.530 43 G N 4.137 112.908 108.800 -0.049 0.000 2.213 43 G HA2 -0.230 3.723 3.960 -0.012 0.000 0.236 43 G HA3 -0.230 3.723 3.960 -0.012 0.000 0.236 43 G C 0.145 175.035 174.900 -0.017 0.000 0.991 43 G CA -0.473 44.614 45.100 -0.022 0.000 0.629 43 G HN 0.557 nan 8.290 nan 0.000 0.517 44 E N 0.889 121.076 120.200 -0.021 0.000 2.373 44 E HA 0.462 4.804 4.350 -0.012 0.000 0.267 44 E C 1.369 177.960 176.600 -0.014 0.000 1.032 44 E CA -0.259 56.132 56.400 -0.016 0.000 0.889 44 E CB 0.577 30.268 29.700 -0.016 0.000 0.984 44 E HN 0.245 nan 8.360 nan 0.000 0.425 45 E N 1.090 121.284 120.200 -0.011 0.000 2.110 45 E HA -0.186 4.157 4.350 -0.012 0.000 0.193 45 E C 1.739 178.333 176.600 -0.010 0.000 0.988 45 E CA 1.009 57.403 56.400 -0.009 0.000 0.804 45 E CB -0.029 29.667 29.700 -0.007 0.000 0.745 45 E HN 0.436 nan 8.360 nan 0.000 0.458 46 S N 0.470 116.164 115.700 -0.010 0.000 2.399 46 S HA -0.096 4.367 4.470 -0.012 0.000 0.231 46 S C 1.253 175.846 174.600 -0.011 0.000 1.022 46 S CA 0.677 58.872 58.200 -0.009 0.000 0.983 46 S CB -0.056 63.139 63.200 -0.009 0.000 0.803 46 S HN 0.121 nan 8.310 nan 0.000 0.480 47 S N 1.653 117.345 115.700 -0.014 0.000 2.565 47 S HA 0.312 4.775 4.470 -0.012 0.000 0.276 47 S C -1.584 173.005 174.600 -0.018 0.000 1.326 47 S CA -1.253 56.936 58.200 -0.018 0.000 1.045 47 S CB 1.066 64.251 63.200 -0.024 0.000 0.918 47 S HN 0.355 nan 8.310 nan 0.000 0.505 48 P HA 0.125 nan 4.420 nan 0.000 0.249 48 P C -0.568 176.716 177.300 -0.027 0.000 1.241 48 P CA 0.216 63.305 63.100 -0.019 0.000 0.781 48 P CB -0.097 31.594 31.700 -0.015 0.000 1.088 49 V N 2.535 122.428 119.914 -0.035 0.000 2.276 49 V HA 0.189 4.302 4.120 -0.012 0.000 0.268 49 V C -1.412 174.649 176.094 -0.054 0.000 1.032 49 V CA -1.276 60.993 62.300 -0.051 0.000 0.810 49 V CB 1.434 33.217 31.823 -0.067 0.000 1.060 49 V HN -0.037 nan 8.190 nan 0.000 0.446 50 P HA 0.017 nan 4.420 nan 0.000 0.220 50 P C -0.033 177.249 177.300 -0.030 0.000 1.152 50 P CA 1.119 64.202 63.100 -0.029 0.000 0.812 50 P CB 0.481 32.172 31.700 -0.016 0.000 0.792 51 D N -3.482 116.896 120.400 -0.037 0.000 2.752 51 D HA 0.114 4.747 4.640 -0.012 0.000 0.313 51 D C 0.643 176.907 176.300 -0.061 0.000 1.225 51 D CA -0.798 53.194 54.000 -0.013 0.000 0.976 51 D CB -0.225 40.601 40.800 0.043 0.000 1.443 51 D HN -0.213 nan 8.370 nan 0.000 0.515 52 H N -0.892 118.170 119.070 -0.015 0.000 2.423 52 H HA -0.036 4.513 4.556 -0.012 0.000 0.297 52 H C 1.152 176.456 175.328 -0.040 0.000 1.075 52 H CA 1.760 57.796 56.048 -0.021 0.000 1.342 52 H CB 0.151 29.908 29.762 -0.007 0.000 1.395 52 H HN 0.465 nan 8.280 nan 0.000 0.530 53 D N 0.292 120.732 120.400 0.067 0.000 2.123 53 D HA -0.161 4.471 4.640 -0.012 0.000 0.196 53 D C 2.221 178.494 176.300 -0.045 0.000 0.992 53 D CA 1.258 55.264 54.000 0.010 0.000 0.833 53 D CB 0.068 40.878 40.800 0.018 0.000 0.954 53 D HN 0.437 nan 8.370 nan 0.000 0.455 54 A N 0.867 123.658 122.820 -0.049 0.000 1.929 54 A HA 0.071 4.384 4.320 -0.012 0.000 0.216 54 A C 2.407 179.921 177.584 -0.116 0.000 1.176 54 A CA 1.871 53.865 52.037 -0.072 0.000 0.628 54 A CB -0.661 18.308 19.000 -0.052 0.000 0.816 54 A HN 0.311 nan 8.150 nan 0.000 0.444 55 A N -0.435 122.307 122.820 -0.130 0.000 1.908 55 A HA -0.095 4.218 4.320 -0.012 0.000 0.218 55 A C 2.113 179.567 177.584 -0.216 0.000 1.181 55 A CA 1.869 53.814 52.037 -0.154 0.000 0.627 55 A CB -0.549 18.345 19.000 -0.177 0.000 0.818 55 A HN 0.605 nan 8.150 nan 0.000 0.445 56 L N -0.445 120.623 121.223 -0.259 0.000 2.072 56 L HA -0.004 4.328 4.340 -0.012 0.000 0.205 56 L C 2.402 178.773 176.870 -0.833 0.000 1.079 56 L CA 1.618 56.169 54.840 -0.481 0.000 0.752 56 L CB -0.637 41.201 42.059 -0.368 0.000 0.906 56 L HN 0.326 nan 8.230 nan 0.000 0.436 57 R N -0.767 119.418 120.500 -0.526 0.000 2.105 57 R HA -0.214 4.119 4.340 -0.012 0.000 0.239 57 R C 2.335 178.484 176.300 -0.251 0.000 1.135 57 R CA 1.462 57.343 56.100 -0.365 0.000 0.967 57 R CB -0.369 29.865 30.300 -0.110 0.000 0.861 57 R HN 0.240 nan 8.270 nan 0.000 0.442 58 R N 1.134 121.504 120.500 -0.217 0.000 2.081 58 R HA -0.083 4.250 4.340 -0.012 0.000 0.235 58 R C 1.961 178.150 176.300 -0.185 0.000 1.131 58 R CA 1.842 57.858 56.100 -0.140 0.000 0.960 58 R CB -0.584 29.657 30.300 -0.100 0.000 0.856 58 R HN 0.211 nan 8.270 nan 0.000 0.436 59 A N -0.173 122.431 122.820 -0.360 0.000 1.933 59 A HA -0.075 4.238 4.320 -0.012 0.000 0.218 59 A C 1.883 179.224 177.584 -0.406 0.000 1.175 59 A CA 1.335 53.025 52.037 -0.579 0.000 0.628 59 A CB -0.728 17.737 19.000 -0.892 0.000 0.814 59 A HN 0.373 nan 8.150 nan 0.000 0.444 60 F N 0.923 120.714 119.950 -0.264 0.000 2.216 60 F HA -0.134 4.386 4.527 -0.012 0.000 0.300 60 F C 2.017 177.749 175.800 -0.114 0.000 1.085 60 F CA 0.891 58.786 58.000 -0.174 0.000 1.326 60 F CB -0.843 38.092 39.000 -0.109 0.000 1.027 60 F HN 0.259 nan 8.300 nan 0.000 0.497 61 D N -0.293 120.154 120.400 0.078 0.000 2.123 61 D HA -0.116 4.517 4.640 -0.012 0.000 0.200 61 D C 2.393 178.717 176.300 0.040 0.000 0.976 61 D CA 1.037 55.066 54.000 0.049 0.000 0.831 61 D CB -0.317 40.499 40.800 0.027 0.000 0.974 61 D HN 0.261 nan 8.370 nan 0.000 0.469 62 M N 0.211 119.829 119.600 0.031 0.000 2.159 62 M HA -0.098 4.375 4.480 -0.012 0.000 0.263 62 M C 2.305 178.670 176.300 0.107 0.000 1.063 62 M CA 0.978 56.331 55.300 0.088 0.000 1.110 62 M CB -0.213 32.494 32.600 0.179 0.000 1.374 62 M HN -0.032 nan 8.290 nan 0.000 0.411 63 L N -0.118 121.152 121.223 0.077 0.000 2.046 63 L HA -0.181 4.152 4.340 -0.012 0.000 0.208 63 L C 2.882 179.788 176.870 0.060 0.000 1.077 63 L CA 1.231 56.124 54.840 0.089 0.000 0.747 63 L CB -0.997 41.097 42.059 0.057 0.000 0.896 63 L HN 0.311 nan 8.230 nan 0.000 0.432 64 A N 0.400 123.247 122.820 0.046 0.000 1.902 64 A HA -0.123 4.190 4.320 -0.012 0.000 0.217 64 A C 2.433 180.036 177.584 0.033 0.000 1.181 64 A CA 1.717 53.772 52.037 0.031 0.000 0.623 64 A CB -1.289 17.727 19.000 0.027 0.000 0.818 64 A HN 0.441 nan 8.150 nan 0.000 0.443 65 G N -0.542 108.283 108.800 0.042 0.000 2.440 65 G HA2 -0.245 3.708 3.960 -0.012 0.000 0.218 65 G HA3 -0.245 3.708 3.960 -0.012 0.000 0.218 65 G C 1.116 176.041 174.900 0.042 0.000 1.154 65 G CA 1.165 46.290 45.100 0.040 0.000 0.767 65 G HN 0.449 nan 8.290 nan 0.000 0.552 66 D N 0.290 120.723 120.400 0.056 0.000 2.363 66 D HA 0.161 4.794 4.640 -0.012 0.000 0.226 66 D C 1.915 178.238 176.300 0.038 0.000 1.020 66 D CA 0.991 55.023 54.000 0.052 0.000 0.892 66 D CB 0.066 40.911 40.800 0.075 0.000 0.900 66 D HN 0.432 nan 8.370 nan 0.000 0.531 67 G N -0.426 108.393 108.800 0.032 0.000 2.138 67 G HA2 -0.198 3.755 3.960 -0.012 0.000 0.193 67 G HA3 -0.198 3.755 3.960 -0.012 0.000 0.193 67 G C 0.476 175.386 174.900 0.017 0.000 0.998 67 G CA 0.052 45.165 45.100 0.021 0.000 0.668 67 G HN 0.506 nan 8.290 nan 0.000 0.516 68 V N 0.005 119.933 119.914 0.022 0.000 2.368 68 V HA 0.678 4.791 4.120 -0.012 0.000 0.266 68 V C 0.538 176.629 176.094 -0.005 0.000 1.045 68 V CA 0.738 63.045 62.300 0.012 0.000 0.899 68 V CB 0.188 32.025 31.823 0.023 0.000 1.006 68 V HN 1.008 nan 8.190 nan 0.000 0.470 69 D N 3.824 124.216 120.400 -0.013 0.000 2.435 69 D HA 0.358 4.991 4.640 -0.012 0.000 0.230 69 D C 1.151 177.425 176.300 -0.044 0.000 1.215 69 D CA 0.199 54.184 54.000 -0.026 0.000 0.947 69 D CB 0.995 41.782 40.800 -0.021 0.000 1.048 69 D HN 0.889 nan 8.370 nan 0.000 0.512 70 L N 1.176 122.358 121.223 -0.069 0.000 2.129 70 L HA -0.201 4.132 4.340 -0.012 0.000 0.212 70 L C 1.826 178.638 176.870 -0.096 0.000 1.087 70 L CA 1.425 56.203 54.840 -0.104 0.000 0.757 70 L CB 0.143 42.088 42.059 -0.189 0.000 0.896 70 L HN 0.488 nan 8.230 nan 0.000 0.434 71 N N -0.677 117.974 118.700 -0.081 0.000 2.515 71 N HA -0.033 4.700 4.740 -0.012 0.000 0.185 71 N C 1.268 176.750 175.510 -0.048 0.000 1.109 71 N CA 1.401 54.411 53.050 -0.067 0.000 0.903 71 N CB -0.003 38.448 38.487 -0.060 0.000 0.969 71 N HN 0.576 nan 8.380 nan 0.000 0.450 72 T N -1.879 112.650 114.554 -0.041 0.000 3.111 72 T HA 0.491 4.833 4.350 -0.012 0.000 0.284 72 T C 1.361 176.046 174.700 -0.026 0.000 0.983 72 T CA 0.111 62.193 62.100 -0.030 0.000 0.900 72 T CB 0.232 69.086 68.868 -0.023 0.000 1.132 72 T HN 0.074 nan 8.240 nan 0.000 0.531 73 A N 0.655 123.456 122.820 -0.032 0.000 2.208 73 A HA 0.529 4.842 4.320 -0.012 0.000 0.209 73 A C 2.004 179.574 177.584 -0.024 0.000 1.161 73 A CA 0.923 52.944 52.037 -0.026 0.000 0.782 73 A CB -0.701 18.283 19.000 -0.028 0.000 0.816 73 A HN 1.605 nan 8.150 nan 0.000 0.477 74 G N -0.815 107.969 108.800 -0.028 0.000 2.198 74 G HA2 -0.189 3.764 3.960 -0.012 0.000 0.257 74 G HA3 -0.189 3.764 3.960 -0.012 0.000 0.257 74 G C 0.026 174.909 174.900 -0.029 0.000 1.042 74 G CA 0.299 45.384 45.100 -0.025 0.000 0.791 74 G HN 0.940 nan 8.290 nan 0.000 0.502 75 L N 0.517 121.717 121.223 -0.039 0.000 2.455 75 L HA 0.524 4.857 4.340 -0.012 0.000 0.272 75 L C 1.437 178.278 176.870 -0.048 0.000 1.174 75 L CA 0.985 55.796 54.840 -0.047 0.000 0.869 75 L CB 1.389 43.410 42.059 -0.063 0.000 1.130 75 L HN 0.759 nan 8.230 nan 0.000 0.474 76 V N 1.775 121.659 119.914 -0.049 0.000 3.451 76 V HA 0.818 4.931 4.120 -0.012 0.000 0.288 76 V C 0.279 176.337 176.094 -0.061 0.000 1.502 76 V CA 0.441 62.714 62.300 -0.045 0.000 1.026 76 V CB -0.346 31.459 31.823 -0.030 0.000 0.840 76 V HN 0.982 nan 8.190 nan 0.000 0.437 77 A N -0.341 122.428 122.820 -0.085 0.000 2.599 77 A HA 0.761 5.074 4.320 -0.012 0.000 0.294 77 A C -1.337 176.148 177.584 -0.166 0.000 1.055 77 A CA -0.300 51.665 52.037 -0.121 0.000 0.683 77 A CB 1.780 20.736 19.000 -0.074 0.000 1.278 77 A HN 0.580 nan 8.150 nan 0.000 0.412 78 V N 1.237 120.991 119.914 -0.266 0.000 2.370 78 V HA 0.655 4.768 4.120 -0.012 0.000 0.283 78 V C 0.829 176.812 176.094 -0.185 0.000 1.023 78 V CA 0.064 62.200 62.300 -0.274 0.000 0.857 78 V CB 1.450 33.029 31.823 -0.408 0.000 0.985 78 V HN 1.334 nan 8.190 nan 0.000 0.443 79 G N 3.467 112.152 108.800 -0.191 0.000 2.322 79 G HA2 0.538 4.491 3.960 -0.012 0.000 0.309 79 G HA3 0.538 4.491 3.960 -0.012 0.000 0.309 79 G C -0.538 174.226 174.900 -0.225 0.000 1.121 79 G CA -0.330 44.694 45.100 -0.127 0.000 0.886 79 G HN 0.736 nan 8.290 nan 0.000 0.447 80 H N 1.884 120.924 119.070 -0.050 0.000 2.505 80 H HA 0.296 4.845 4.556 -0.012 0.000 0.338 80 H C 0.000 175.251 175.328 -0.129 0.000 1.057 80 H CA -0.552 55.458 56.048 -0.063 0.000 1.202 80 H CB 2.117 31.842 29.762 -0.061 0.000 1.466 80 H HN 0.624 nan 8.280 nan 0.000 0.499 81 R N 1.437 121.939 120.500 0.004 0.000 2.368 81 R HA 0.630 4.963 4.340 -0.012 0.000 0.302 81 R C -1.184 175.080 176.300 -0.060 0.000 1.002 81 R CA -0.840 55.225 56.100 -0.058 0.000 0.929 81 R CB 1.274 31.557 30.300 -0.029 0.000 1.073 81 R HN 0.132 nan 8.270 nan 0.000 0.464 82 V N 3.375 123.213 119.914 -0.126 0.000 2.638 82 V HA 0.107 4.220 4.120 -0.012 0.000 0.306 82 V C 1.039 177.177 176.094 0.074 0.000 1.052 82 V CA -0.839 61.422 62.300 -0.064 0.000 0.885 82 V CB 1.972 33.665 31.823 -0.216 0.000 0.999 82 V HN 0.755 nan 8.190 nan 0.000 0.424 83 V N 2.133 122.137 119.914 0.149 0.000 2.270 83 V HA -0.080 4.033 4.120 -0.012 0.000 0.245 83 V C 0.799 177.115 176.094 0.370 0.000 1.043 83 V CA 1.556 63.990 62.300 0.224 0.000 1.014 83 V CB -0.330 31.577 31.823 0.140 0.000 0.645 83 V HN 0.835 nan 8.190 nan 0.000 0.447 84 H N -0.725 118.537 119.070 0.320 0.000 2.539 84 H HA 0.462 5.011 4.556 -0.012 0.000 0.332 84 H C 0.632 176.123 175.328 0.271 0.000 1.031 84 H CA 0.306 56.523 56.048 0.281 0.000 1.206 84 H CB 1.692 31.579 29.762 0.209 0.000 1.446 84 H HN 0.178 nan 8.280 nan 0.000 0.496 85 G N 2.395 111.403 108.800 0.347 0.000 3.126 85 G HA2 0.300 4.252 3.960 -0.012 0.000 0.224 85 G HA3 0.300 4.252 3.960 -0.012 0.000 0.224 85 G C 0.880 175.839 174.900 0.099 0.000 1.142 85 G CA 0.349 45.493 45.100 0.073 0.000 0.759 85 G HN 0.989 nan 8.290 nan 0.000 0.550 86 G N 1.096 110.025 108.800 0.215 0.000 2.574 86 G HA2 -0.347 3.606 3.960 -0.012 0.000 0.282 86 G HA3 -0.347 3.606 3.960 -0.012 0.000 0.282 86 G C 0.701 175.776 174.900 0.292 0.000 1.257 86 G CA 0.238 45.374 45.100 0.061 0.000 0.956 86 G HN 0.260 nan 8.290 nan 0.000 0.560 87 N N 0.501 119.408 118.700 0.346 0.000 2.322 87 N HA 0.108 4.841 4.740 -0.012 0.000 0.194 87 N C 2.027 177.608 175.510 0.119 0.000 1.126 87 N CA 1.245 54.498 53.050 0.338 0.000 0.845 87 N CB 0.064 38.730 38.487 0.298 0.000 0.976 87 N HN 0.540 nan 8.380 nan 0.000 0.475 88 T N -0.791 113.742 114.554 -0.036 0.000 2.953 88 T HA 0.188 4.531 4.350 -0.012 0.000 0.247 88 T C 0.129 174.435 174.700 -0.657 0.000 1.029 88 T CA 0.663 62.550 62.100 -0.355 0.000 1.144 88 T CB 0.201 68.789 68.868 -0.468 0.000 0.870 88 T HN -0.025 nan 8.240 nan 0.000 0.446 89 F N 1.456 121.213 119.950 -0.322 0.000 2.460 89 F HA 0.438 4.958 4.527 -0.012 0.000 0.341 89 F C 0.174 175.613 175.800 -0.603 0.000 1.130 89 F CA -1.631 55.976 58.000 -0.655 0.000 0.962 89 F CB 1.319 39.625 39.000 -1.157 0.000 1.171 89 F HN 0.175 nan 8.300 nan 0.000 0.436 90 Y N -0.457 119.705 120.300 -0.229 0.000 2.476 90 Y HA 0.495 5.038 4.550 -0.012 0.000 0.274 90 Y C 0.664 176.618 175.900 0.089 0.000 1.120 90 Y CA -0.843 57.206 58.100 -0.085 0.000 1.214 90 Y CB 0.089 38.442 38.460 -0.178 0.000 1.285 90 Y HN 0.199 nan 8.280 nan 0.000 0.520 91 R N 2.264 122.697 120.500 -0.113 0.000 2.528 91 R HA 0.355 4.687 4.340 -0.012 0.000 0.271 91 R C -2.650 173.756 176.300 0.176 0.000 1.056 91 R CA -1.886 54.240 56.100 0.044 0.000 1.117 91 R CB 0.143 30.397 30.300 -0.076 0.000 1.085 91 R HN -0.051 nan 8.270 nan 0.000 0.530 92 P HA 0.006 nan 4.420 nan 0.000 0.262 92 P C -1.093 176.279 177.300 0.120 0.000 1.199 92 P CA 0.504 63.685 63.100 0.136 0.000 0.763 92 P CB 0.601 32.348 31.700 0.078 0.000 0.790 93 T N 3.114 117.755 114.554 0.144 0.000 2.786 93 T HA 0.256 4.599 4.350 -0.012 0.000 0.283 93 T C 0.088 174.820 174.700 0.054 0.000 0.992 93 T CA -0.561 61.611 62.100 0.120 0.000 0.954 93 T CB 0.756 69.738 68.868 0.190 0.000 0.934 93 T HN -0.019 nan 8.240 nan 0.000 0.440 94 V N 5.289 125.233 119.914 0.050 0.000 2.540 94 V HA 0.096 4.209 4.120 -0.012 0.000 0.297 94 V C 0.465 176.575 176.094 0.027 0.000 1.024 94 V CA -0.077 62.249 62.300 0.043 0.000 1.105 94 V CB -0.192 31.658 31.823 0.044 0.000 0.938 94 V HN 0.689 nan 8.190 nan 0.000 0.482 95 L N 5.832 127.068 121.223 0.022 0.000 2.375 95 L HA 0.609 4.942 4.340 -0.012 0.000 0.271 95 L C -0.058 176.807 176.870 -0.008 0.000 1.107 95 L CA -0.167 54.660 54.840 -0.022 0.000 0.806 95 L CB 1.334 43.352 42.059 -0.069 0.000 1.146 95 L HN 0.926 nan 8.230 nan 0.000 0.447 96 D N -1.404 118.985 120.400 -0.019 0.000 2.677 96 D HA 0.128 4.761 4.640 -0.012 0.000 0.298 96 D C -0.152 176.141 176.300 -0.012 0.000 1.250 96 D CA -0.632 53.362 54.000 -0.010 0.000 0.888 96 D CB 0.618 41.426 40.800 0.012 0.000 1.397 96 D HN 0.309 nan 8.370 nan 0.000 0.461 97 D N -0.338 120.061 120.400 -0.003 0.000 2.178 97 D HA -0.101 4.532 4.640 -0.012 0.000 0.201 97 D C 1.831 178.149 176.300 0.029 0.000 0.980 97 D CA 1.635 55.638 54.000 0.006 0.000 0.842 97 D CB -0.003 40.800 40.800 0.006 0.000 0.948 97 D HN 0.493 nan 8.370 nan 0.000 0.472 98 A N 1.143 123.985 122.820 0.036 0.000 1.858 98 A HA -0.137 4.176 4.320 -0.012 0.000 0.216 98 A C 2.601 180.237 177.584 0.087 0.000 1.190 98 A CA 1.106 53.178 52.037 0.058 0.000 0.617 98 A CB -0.884 18.149 19.000 0.056 0.000 0.827 98 A HN 0.104 nan 8.150 nan 0.000 0.443 99 V N 0.299 120.260 119.914 0.079 0.000 2.282 99 V HA -0.330 3.783 4.120 -0.012 0.000 0.249 99 V C 2.449 178.557 176.094 0.024 0.000 1.057 99 V CA 2.301 64.649 62.300 0.080 0.000 1.032 99 V CB -0.785 31.026 31.823 -0.021 0.000 0.645 99 V HN 0.581 nan 8.190 nan 0.000 0.447 100 I N 0.361 120.929 120.570 -0.004 0.000 2.208 100 I HA -0.277 3.886 4.170 -0.012 0.000 0.245 100 I C 2.651 178.840 176.117 0.119 0.000 1.097 100 I CA 1.583 62.884 61.300 0.001 0.000 1.363 100 I CB -0.636 37.361 38.000 -0.005 0.000 1.051 100 I HN 0.290 nan 8.210 nan 0.000 0.413 101 A N 0.914 123.820 122.820 0.144 0.000 1.908 101 A HA -0.230 4.083 4.320 -0.012 0.000 0.218 101 A C 2.402 180.094 177.584 0.180 0.000 1.181 101 A CA 1.701 53.843 52.037 0.174 0.000 0.627 101 A CB -0.600 18.462 19.000 0.103 0.000 0.818 101 A HN 0.359 nan 8.150 nan 0.000 0.445 102 R N -0.721 119.886 120.500 0.178 0.000 2.092 102 R HA 0.023 4.356 4.340 -0.012 0.000 0.231 102 R C 2.043 178.488 176.300 0.242 0.000 1.119 102 R CA 1.222 57.451 56.100 0.216 0.000 0.970 102 R CB -0.520 29.960 30.300 0.300 0.000 0.864 102 R HN 0.486 nan 8.270 nan 0.000 0.440 103 L N 0.060 121.402 121.223 0.198 0.000 2.083 103 L HA -0.207 4.125 4.340 -0.012 0.000 0.209 103 L C 2.484 179.383 176.870 0.049 0.000 1.083 103 L CA 1.192 56.099 54.840 0.111 0.000 0.752 103 L CB -0.540 41.498 42.059 -0.036 0.000 0.899 103 L HN 0.320 nan 8.230 nan 0.000 0.433 104 H N -0.019 119.094 119.070 0.072 0.000 2.387 104 H HA -0.146 4.403 4.556 -0.012 0.000 0.299 104 H C 2.044 177.406 175.328 0.057 0.000 1.099 104 H CA 1.252 57.331 56.048 0.051 0.000 1.315 104 H CB 0.159 29.940 29.762 0.032 0.000 1.380 104 H HN 0.363 nan 8.280 nan 0.000 0.513 105 E N 0.728 121.036 120.200 0.180 0.000 2.333 105 E HA -0.076 4.267 4.350 -0.012 0.000 0.198 105 E C 2.190 178.849 176.600 0.100 0.000 1.007 105 E CA 0.230 56.706 56.400 0.128 0.000 0.845 105 E CB -0.077 29.691 29.700 0.113 0.000 0.766 105 E HN 0.509 nan 8.360 nan 0.000 0.507 106 L N 0.344 121.622 121.223 0.091 0.000 2.558 106 L HA 0.045 4.378 4.340 -0.012 0.000 0.225 106 L C 1.972 178.849 176.870 0.012 0.000 1.128 106 L CA 0.058 54.927 54.840 0.048 0.000 0.868 106 L CB -0.040 42.058 42.059 0.066 0.000 1.006 106 L HN -0.069 nan 8.230 nan 0.000 0.454 107 S N -0.138 115.586 115.700 0.041 0.000 2.469 107 S HA -0.111 4.352 4.470 -0.012 0.000 0.238 107 S C 1.742 176.350 174.600 0.013 0.000 0.998 107 S CA 0.839 59.059 58.200 0.032 0.000 0.957 107 S CB -0.100 63.134 63.200 0.057 0.000 0.764 107 S HN 0.421 nan 8.310 nan 0.000 0.514 108 E N 1.089 121.294 120.200 0.010 0.000 2.208 108 E HA 0.010 4.353 4.350 -0.012 0.000 0.193 108 E C 1.803 178.386 176.600 -0.028 0.000 0.988 108 E CA 0.502 56.901 56.400 -0.001 0.000 0.828 108 E CB -0.217 29.489 29.700 0.011 0.000 0.763 108 E HN 0.499 nan 8.360 nan 0.000 0.478 109 L N 0.007 121.176 121.223 -0.090 0.000 2.275 109 L HA -0.041 4.292 4.340 -0.012 0.000 0.215 109 L C 1.148 177.939 176.870 -0.131 0.000 1.119 109 L CA 0.814 55.526 54.840 -0.213 0.000 0.790 109 L CB 0.074 41.769 42.059 -0.607 0.000 0.919 109 L HN -0.068 nan 8.230 nan 0.000 0.443 110 A N -1.413 121.383 122.820 -0.040 0.000 3.409 110 A HA 0.432 4.745 4.320 -0.012 0.000 0.282 110 A C -2.011 175.606 177.584 0.054 0.000 1.064 110 A CA -0.687 51.392 52.037 0.070 0.000 0.889 110 A CB -0.003 19.105 19.000 0.180 0.000 1.251 110 A HN -0.079 nan 8.150 nan 0.000 0.538 111 P HA -0.120 nan 4.420 nan 0.000 0.219 111 P C 1.061 178.353 177.300 -0.012 0.000 1.146 111 P CA 0.926 64.031 63.100 0.008 0.000 0.808 111 P CB 0.351 32.051 31.700 0.000 0.000 0.779 112 L N -3.015 118.177 121.223 -0.051 0.000 2.425 112 L HA 0.100 4.433 4.340 -0.012 0.000 0.215 112 L C 2.155 178.916 176.870 -0.181 0.000 1.065 112 L CA 1.577 56.328 54.840 -0.147 0.000 0.842 112 L CB -1.127 40.779 42.059 -0.255 0.000 1.033 112 L HN 0.013 nan 8.230 nan 0.000 0.474 113 H N -2.038 117.056 119.070 0.040 0.000 2.418 113 H HA 0.089 4.638 4.556 -0.012 0.000 0.300 113 H C 1.783 177.135 175.328 0.040 0.000 1.041 113 H CA 0.704 56.778 56.048 0.043 0.000 1.364 113 H CB 0.323 30.111 29.762 0.045 0.000 1.439 113 H HN 0.165 nan 8.280 nan 0.000 0.540 114 N N 0.566 119.361 118.700 0.158 0.000 2.058 114 N HA -0.096 4.637 4.740 -0.012 0.000 0.191 114 N C -1.075 174.448 175.510 0.021 0.000 1.037 114 N CA 1.194 54.300 53.050 0.093 0.000 0.848 114 N CB -1.209 37.335 38.487 0.094 0.000 1.021 114 N HN 0.234 nan 8.380 nan 0.000 0.422 115 P HA -0.121 nan 4.420 nan 0.000 0.216 115 P C -1.392 175.875 177.300 -0.056 0.000 1.157 115 P CA 2.242 65.332 63.100 -0.016 0.000 0.880 115 P CB -1.020 30.685 31.700 0.007 0.000 0.791 116 P HA -0.091 nan 4.420 nan 0.000 0.220 116 P C 1.254 178.484 177.300 -0.117 0.000 1.148 116 P CA 1.652 64.677 63.100 -0.125 0.000 0.803 116 P CB -0.501 31.189 31.700 -0.018 0.000 0.782 117 A N -0.069 122.728 122.820 -0.038 0.000 1.929 117 A HA -0.079 4.234 4.320 -0.012 0.000 0.216 117 A C 2.331 179.863 177.584 -0.087 0.000 1.176 117 A CA 1.007 53.028 52.037 -0.027 0.000 0.628 117 A CB -1.507 17.495 19.000 0.002 0.000 0.816 117 A HN 0.107 nan 8.150 nan 0.000 0.444 118 L N -0.584 120.566 121.223 -0.122 0.000 2.046 118 L HA -0.181 4.152 4.340 -0.012 0.000 0.208 118 L C 2.565 179.355 176.870 -0.132 0.000 1.077 118 L CA 1.066 55.805 54.840 -0.168 0.000 0.747 118 L CB -0.484 41.422 42.059 -0.254 0.000 0.896 118 L HN 0.375 nan 8.230 nan 0.000 0.432 119 L N -0.506 120.633 121.223 -0.142 0.000 2.042 119 L HA -0.195 4.138 4.340 -0.012 0.000 0.210 119 L C 2.585 179.375 176.870 -0.133 0.000 1.076 119 L CA 1.490 56.229 54.840 -0.168 0.000 0.749 119 L CB -1.011 40.847 42.059 -0.335 0.000 0.893 119 L HN 0.379 nan 8.230 nan 0.000 0.432 120 G N -0.013 108.721 108.800 -0.109 0.000 2.418 120 G HA2 -0.248 3.704 3.960 -0.012 0.000 0.217 120 G HA3 -0.248 3.704 3.960 -0.012 0.000 0.217 120 G C 1.546 176.474 174.900 0.046 0.000 1.158 120 G CA 0.703 45.824 45.100 0.035 0.000 0.771 120 G HN 0.298 nan 8.290 nan 0.000 0.545 121 I N 0.530 121.026 120.570 -0.123 0.000 2.179 121 I HA -0.145 4.018 4.170 -0.012 0.000 0.242 121 I C 2.808 178.802 176.117 -0.205 0.000 1.088 121 I CA 1.414 62.504 61.300 -0.350 0.000 1.357 121 I CB -0.212 37.517 38.000 -0.452 0.000 1.051 121 I HN 0.238 nan 8.210 nan 0.000 0.409 122 E N 0.074 120.197 120.200 -0.128 0.000 2.077 122 E HA -0.177 4.166 4.350 -0.012 0.000 0.193 122 E C 2.290 178.861 176.600 -0.049 0.000 0.989 122 E CA 1.311 57.660 56.400 -0.085 0.000 0.800 122 E CB -0.130 29.545 29.700 -0.042 0.000 0.746 122 E HN 0.269 nan 8.360 nan 0.000 0.452 123 V N 1.445 121.351 119.914 -0.014 0.000 2.287 123 V HA -0.301 3.812 4.120 -0.012 0.000 0.248 123 V C 2.326 178.449 176.094 0.049 0.000 1.053 123 V CA 1.975 64.288 62.300 0.023 0.000 1.027 123 V CB -0.735 31.115 31.823 0.045 0.000 0.646 123 V HN 0.356 nan 8.190 nan 0.000 0.447 124 A N -0.289 122.580 122.820 0.082 0.000 1.930 124 A HA -0.195 4.117 4.320 -0.012 0.000 0.217 124 A C 2.356 179.979 177.584 0.064 0.000 1.175 124 A CA 1.583 53.733 52.037 0.189 0.000 0.627 124 A CB -0.469 18.778 19.000 0.411 0.000 0.815 124 A HN 0.515 nan 8.150 nan 0.000 0.443 125 R N -1.074 119.292 120.500 -0.224 0.000 2.115 125 R HA -0.082 4.251 4.340 -0.012 0.000 0.230 125 R C 2.445 178.702 176.300 -0.072 0.000 1.111 125 R CA 1.438 57.337 56.100 -0.334 0.000 0.976 125 R CB -0.233 29.854 30.300 -0.355 0.000 0.870 125 R HN 0.559 nan 8.270 nan 0.000 0.445 126 R N 0.817 121.303 120.500 -0.023 0.000 2.073 126 R HA -0.024 4.309 4.340 -0.012 0.000 0.229 126 R C 1.999 178.335 176.300 0.060 0.000 1.120 126 R CA 1.036 57.146 56.100 0.017 0.000 0.967 126 R CB -0.007 30.303 30.300 0.016 0.000 0.862 126 R HN 0.152 nan 8.270 nan 0.000 0.436 127 L N 0.110 121.398 121.223 0.108 0.000 2.270 127 L HA 0.067 4.400 4.340 -0.012 0.000 0.210 127 L C 0.520 177.479 176.870 0.148 0.000 1.104 127 L CA 0.492 55.430 54.840 0.162 0.000 0.804 127 L CB 0.270 42.499 42.059 0.283 0.000 0.937 127 L HN 0.142 nan 8.230 nan 0.000 0.450 128 L N 1.074 122.405 121.223 0.179 0.000 2.637 128 L HA 0.247 4.579 4.340 -0.012 0.000 0.241 128 L C -1.672 175.318 176.870 0.200 0.000 1.398 128 L CA -0.884 54.053 54.840 0.161 0.000 0.895 128 L CB 0.770 42.936 42.059 0.178 0.000 1.183 128 L HN -0.129 nan 8.230 nan 0.000 0.497 129 P HA -0.013 nan 4.420 nan 0.000 0.241 129 P C 1.172 178.525 177.300 0.089 0.000 1.191 129 P CA 0.619 63.775 63.100 0.094 0.000 0.771 129 P CB 0.481 32.209 31.700 0.047 0.000 0.929 130 G N -0.517 108.325 108.800 0.070 0.000 3.233 130 G HA2 0.228 4.181 3.960 -0.012 0.000 0.234 130 G HA3 0.228 4.181 3.960 -0.012 0.000 0.234 130 G C 0.389 175.310 174.900 0.035 0.000 1.137 130 G CA 0.004 45.129 45.100 0.043 0.000 0.763 130 G HN 0.086 nan 8.290 nan 0.000 0.549 131 I N 1.114 121.715 120.570 0.052 0.000 2.562 131 I HA 0.562 4.725 4.170 -0.012 0.000 0.301 131 I C 0.509 176.639 176.117 0.021 0.000 1.003 131 I CA -1.713 59.581 61.300 -0.009 0.000 1.127 131 I CB 1.294 39.240 38.000 -0.091 0.000 1.304 131 I HN -0.004 nan 8.210 nan 0.000 0.446 132 A N 5.836 128.649 122.820 -0.012 0.000 2.407 132 A HA 0.344 4.657 4.320 -0.012 0.000 0.248 132 A C -0.253 177.300 177.584 -0.051 0.000 1.082 132 A CA -0.071 51.989 52.037 0.039 0.000 0.785 132 A CB 0.051 19.065 19.000 0.024 0.000 1.020 132 A HN 0.769 nan 8.150 nan 0.000 0.489 133 H N 0.527 119.630 119.070 0.055 0.000 2.495 133 H HA 0.531 5.080 4.556 -0.012 0.000 0.348 133 H C -1.231 174.142 175.328 0.075 0.000 1.113 133 H CA -0.526 55.587 56.048 0.107 0.000 1.195 133 H CB 1.843 31.683 29.762 0.130 0.000 1.521 133 H HN 0.388 nan 8.280 nan 0.000 0.509 134 V N 1.920 121.946 119.914 0.187 0.000 2.588 134 V HA 0.461 4.574 4.120 -0.012 0.000 0.304 134 V C -0.008 176.121 176.094 0.058 0.000 1.042 134 V CA -0.881 61.470 62.300 0.084 0.000 0.877 134 V CB 1.599 33.444 31.823 0.038 0.000 0.996 134 V HN 0.902 nan 8.190 nan 0.000 0.425 135 A N 4.267 127.051 122.820 -0.060 0.000 2.301 135 A HA 0.855 5.168 4.320 -0.012 0.000 0.312 135 A C -0.692 176.681 177.584 -0.351 0.000 1.182 135 A CA -0.488 51.388 52.037 -0.268 0.000 0.826 135 A CB 1.256 19.962 19.000 -0.490 0.000 1.134 135 A HN 0.732 nan 8.150 nan 0.000 0.501 136 V N 2.747 122.414 119.914 -0.412 0.000 2.483 136 V HA 0.406 4.519 4.120 -0.012 0.000 0.297 136 V C -1.139 174.749 176.094 -0.344 0.000 1.027 136 V CA -0.250 61.906 62.300 -0.241 0.000 0.855 136 V CB 1.082 32.858 31.823 -0.078 0.000 0.995 136 V HN 0.724 nan 8.190 nan 0.000 0.424 137 F N 2.151 122.144 119.950 0.071 0.000 2.408 137 F HA 0.363 4.883 4.527 -0.012 0.000 0.344 137 F C 1.298 177.157 175.800 0.098 0.000 1.112 137 F CA -0.503 57.551 58.000 0.090 0.000 1.096 137 F CB 1.157 40.227 39.000 0.117 0.000 1.129 137 F HN 0.461 nan 8.300 nan 0.000 0.486 138 D N 0.690 121.237 120.400 0.245 0.000 2.310 138 D HA -0.119 4.514 4.640 -0.012 0.000 0.212 138 D C 2.053 178.468 176.300 0.191 0.000 0.965 138 D CA 1.381 55.510 54.000 0.215 0.000 0.879 138 D CB 0.160 41.100 40.800 0.234 0.000 0.921 138 D HN 0.619 nan 8.370 nan 0.000 0.510 139 T N -4.067 110.562 114.554 0.125 0.000 3.081 139 T HA 0.146 4.489 4.350 -0.012 0.000 0.255 139 T C 2.053 176.862 174.700 0.181 0.000 1.113 139 T CA 0.496 62.594 62.100 -0.003 0.000 1.082 139 T CB 0.006 68.737 68.868 -0.229 0.000 0.939 139 T HN 0.025 nan 8.240 nan 0.000 0.506 140 G N 1.424 110.373 108.800 0.248 0.000 2.491 140 G HA2 -0.229 3.724 3.960 -0.012 0.000 0.218 140 G HA3 -0.229 3.724 3.960 -0.012 0.000 0.218 140 G C 1.142 176.181 174.900 0.232 0.000 1.180 140 G CA 0.814 46.086 45.100 0.286 0.000 0.774 140 G HN 0.424 nan 8.290 nan 0.000 0.562 141 F N 1.072 120.976 119.950 -0.078 0.000 2.184 141 F HA -0.049 4.471 4.527 -0.012 0.000 0.301 141 F C 1.688 177.254 175.800 -0.390 0.000 1.076 141 F CA 0.780 58.597 58.000 -0.305 0.000 1.295 141 F CB -0.266 38.394 39.000 -0.566 0.000 1.026 141 F HN 0.137 nan 8.300 nan 0.000 0.494 142 F N -1.713 118.211 119.950 -0.044 0.000 2.727 142 F HA 0.120 4.640 4.527 -0.012 0.000 0.302 142 F C 2.110 177.800 175.800 -0.183 0.000 1.097 142 F CA 0.378 58.249 58.000 -0.216 0.000 1.330 142 F CB -1.235 37.653 39.000 -0.186 0.000 1.084 142 F HN 0.032 nan 8.300 nan 0.000 0.578 143 H N 0.461 119.485 119.070 -0.077 0.000 2.426 143 H HA -0.175 4.374 4.556 -0.012 0.000 0.298 143 H C 1.355 176.532 175.328 -0.253 0.000 1.107 143 H CA 1.933 57.868 56.048 -0.190 0.000 1.298 143 H CB -0.120 29.387 29.762 -0.425 0.000 1.377 143 H HN -0.002 nan 8.280 nan 0.000 0.519 144 D N -0.181 120.039 120.400 -0.300 0.000 2.328 144 D HA 0.055 4.687 4.640 -0.012 0.000 0.226 144 D C 0.046 176.194 176.300 -0.253 0.000 1.066 144 D CA -0.050 53.774 54.000 -0.292 0.000 0.861 144 D CB -0.266 40.413 40.800 -0.201 0.000 0.912 144 D HN 0.340 nan 8.370 nan 0.000 0.521 145 L N 1.599 122.680 121.223 -0.237 0.000 2.573 145 L HA 0.026 4.358 4.340 -0.012 0.000 0.290 145 L C -1.703 175.044 176.870 -0.204 0.000 1.247 145 L CA -1.061 53.657 54.840 -0.205 0.000 0.876 145 L CB -0.156 41.783 42.059 -0.201 0.000 1.123 145 L HN -0.071 nan 8.230 nan 0.000 0.505 146 P HA 0.051 nan 4.420 nan 0.000 0.267 146 P C -2.086 175.119 177.300 -0.159 0.000 1.200 146 P CA -1.128 61.881 63.100 -0.150 0.000 0.772 146 P CB 0.053 31.677 31.700 -0.125 0.000 0.855 147 P HA -0.193 nan 4.420 nan 0.000 0.216 147 P C 1.266 178.484 177.300 -0.136 0.000 1.150 147 P CA 1.814 64.828 63.100 -0.144 0.000 0.837 147 P CB -0.368 31.263 31.700 -0.115 0.000 0.786 148 A N -0.174 122.577 122.820 -0.114 0.000 1.978 148 A HA -0.098 4.215 4.320 -0.012 0.000 0.220 148 A C 2.248 179.757 177.584 -0.126 0.000 1.170 148 A CA 2.041 54.016 52.037 -0.103 0.000 0.636 148 A CB -1.382 17.570 19.000 -0.080 0.000 0.810 148 A HN 0.237 nan 8.150 nan 0.000 0.448 149 A N -0.960 121.770 122.820 -0.151 0.000 2.030 149 A HA 0.471 4.784 4.320 -0.012 0.000 0.215 149 A C 2.293 179.726 177.584 -0.253 0.000 1.164 149 A CA 1.274 53.204 52.037 -0.179 0.000 0.697 149 A CB -0.529 18.366 19.000 -0.175 0.000 0.827 149 A HN 0.875 nan 8.150 nan 0.000 0.457 150 A N -0.706 121.956 122.820 -0.263 0.000 1.975 150 A HA 0.200 4.513 4.320 -0.012 0.000 0.215 150 A C 1.187 178.540 177.584 -0.385 0.000 1.170 150 A CA 1.212 53.050 52.037 -0.332 0.000 0.656 150 A CB -0.456 18.363 19.000 -0.302 0.000 0.821 150 A HN 0.301 nan 8.150 nan 0.000 0.449 151 T N 0.668 115.048 114.554 -0.290 0.000 2.771 151 T HA 0.484 4.827 4.350 -0.012 0.000 0.291 151 T C -0.684 173.889 174.700 -0.212 0.000 0.954 151 T CA -0.092 61.877 62.100 -0.218 0.000 1.045 151 T CB 0.299 69.094 68.868 -0.123 0.000 0.917 151 T HN 0.218 nan 8.240 nan 0.000 0.484 152 Y N 1.183 121.457 120.300 -0.045 0.000 2.314 152 Y HA 0.414 4.956 4.550 -0.012 0.000 0.334 152 Y C 0.919 176.811 175.900 -0.013 0.000 1.266 152 Y CA -1.137 56.952 58.100 -0.020 0.000 1.391 152 Y CB 0.499 38.957 38.460 -0.003 0.000 1.306 152 Y HN 0.708 nan 8.280 nan 0.000 0.558 153 A N 4.843 127.771 122.820 0.181 0.000 3.078 153 A HA 0.499 4.812 4.320 -0.012 0.000 0.279 153 A C -0.180 177.450 177.584 0.077 0.000 1.594 153 A CA -0.246 51.846 52.037 0.092 0.000 1.301 153 A CB -1.653 17.384 19.000 0.061 0.000 1.162 153 A HN 0.655 nan 8.150 nan 0.000 0.585 154 I N -2.951 117.668 120.570 0.081 0.000 3.239 154 I HA 0.566 4.729 4.170 -0.012 0.000 0.314 154 I C -0.358 175.791 176.117 0.053 0.000 1.126 154 I CA -1.302 60.033 61.300 0.059 0.000 0.973 154 I CB 1.351 39.386 38.000 0.058 0.000 1.252 154 I HN 0.197 nan 8.210 nan 0.000 0.463 155 D N 1.866 122.295 120.400 0.048 0.000 2.662 155 D HA -0.066 4.567 4.640 -0.012 0.000 0.233 155 D C 1.142 177.471 176.300 0.050 0.000 1.129 155 D CA 0.645 54.673 54.000 0.046 0.000 0.851 155 D CB 0.821 41.651 40.800 0.051 0.000 1.152 155 D HN 0.582 nan 8.370 nan 0.000 0.507 156 R N 2.887 123.407 120.500 0.034 0.000 2.066 156 R HA -0.126 4.207 4.340 -0.012 0.000 0.232 156 R C 1.623 177.936 176.300 0.021 0.000 1.131 156 R CA 1.259 57.374 56.100 0.025 0.000 0.955 156 R CB 0.051 30.357 30.300 0.010 0.000 0.851 156 R HN 0.647 nan 8.270 nan 0.000 0.432 157 E N 0.393 120.603 120.200 0.017 0.000 2.085 157 E HA -0.245 4.098 4.350 -0.012 0.000 0.194 157 E C 1.978 178.587 176.600 0.015 0.000 0.994 157 E CA 1.253 57.655 56.400 0.004 0.000 0.801 157 E CB -0.127 29.576 29.700 0.005 0.000 0.743 157 E HN 0.139 nan 8.360 nan 0.000 0.453 158 L N 0.930 122.191 121.223 0.063 0.000 1.994 158 L HA -0.169 4.163 4.340 -0.012 0.000 0.208 158 L C 2.259 179.227 176.870 0.162 0.000 1.071 158 L CA 2.110 57.033 54.840 0.138 0.000 0.745 158 L CB -0.726 41.426 42.059 0.156 0.000 0.892 158 L HN 0.048 nan 8.230 nan 0.000 0.431 159 A N -1.008 121.883 122.820 0.118 0.000 1.940 159 A HA -0.229 4.084 4.320 -0.012 0.000 0.219 159 A C 1.989 179.622 177.584 0.082 0.000 1.176 159 A CA 1.970 54.081 52.037 0.122 0.000 0.631 159 A CB -0.784 18.274 19.000 0.096 0.000 0.814 159 A HN 0.535 nan 8.150 nan 0.000 0.446 160 D N -0.578 119.836 120.400 0.023 0.000 2.117 160 D HA -0.055 4.578 4.640 -0.012 0.000 0.198 160 D C 2.537 178.786 176.300 -0.085 0.000 0.982 160 D CA 1.933 55.919 54.000 -0.022 0.000 0.828 160 D CB -0.473 40.306 40.800 -0.036 0.000 0.967 160 D HN 0.477 nan 8.370 nan 0.000 0.464 161 R N 0.441 120.834 120.500 -0.178 0.000 2.081 161 R HA -0.121 4.212 4.340 -0.012 0.000 0.235 161 R C 1.839 177.787 176.300 -0.586 0.000 1.131 161 R CA 1.565 57.388 56.100 -0.461 0.000 0.960 161 R CB -1.847 28.054 30.300 -0.666 0.000 0.856 161 R HN 0.392 nan 8.270 nan 0.000 0.436 162 W N 0.095 121.423 121.300 0.046 0.000 3.239 162 W HA 0.316 4.969 4.660 -0.012 0.000 0.348 162 W C 0.125 176.698 176.519 0.090 0.000 1.183 162 W CA -0.159 57.221 57.345 0.059 0.000 1.819 162 W CB 0.107 29.599 29.460 0.053 0.000 1.091 162 W HN 0.440 nan 8.180 nan 0.000 0.629 163 Q N 0.201 120.123 119.800 0.204 0.000 2.478 163 Q HA -0.216 4.117 4.340 -0.012 0.000 0.286 163 Q C -0.288 175.872 176.000 0.267 0.000 1.299 163 Q CA 0.555 56.483 55.803 0.209 0.000 0.826 163 Q CB -2.418 26.465 28.738 0.241 0.000 1.199 163 Q HN 0.423 nan 8.270 nan 0.000 0.451 164 I N 1.762 122.465 120.570 0.222 0.000 2.337 164 I HA 0.333 4.496 4.170 -0.012 0.000 0.291 164 I C 0.723 176.923 176.117 0.139 0.000 1.046 164 I CA 0.148 61.588 61.300 0.234 0.000 1.324 164 I CB 0.488 38.623 38.000 0.226 0.000 1.409 164 I HN 0.242 nan 8.210 nan 0.000 0.494 165 R N 4.634 125.160 120.500 0.043 0.000 2.733 165 R HA 0.477 4.810 4.340 -0.012 0.000 0.272 165 R C -0.913 175.242 176.300 -0.242 0.000 1.029 165 R CA -1.166 54.813 56.100 -0.201 0.000 0.888 165 R CB 1.015 31.040 30.300 -0.457 0.000 1.251 165 R HN 0.416 nan 8.270 nan 0.000 0.464 166 R N 1.357 121.566 120.500 -0.485 0.000 2.351 166 R HA 0.088 4.421 4.340 -0.012 0.000 0.318 166 R C -0.609 175.493 176.300 -0.330 0.000 1.055 166 R CA 0.153 56.047 56.100 -0.344 0.000 0.968 166 R CB 0.248 30.269 30.300 -0.466 0.000 0.974 166 R HN 0.726 nan 8.270 nan 0.000 0.439 167 Y N 3.586 123.832 120.300 -0.090 0.000 2.396 167 Y HA 0.226 4.769 4.550 -0.012 0.000 0.292 167 Y C 1.385 177.026 175.900 -0.432 0.000 1.128 167 Y CA 1.144 59.108 58.100 -0.226 0.000 1.194 167 Y CB 0.240 38.549 38.460 -0.252 0.000 1.124 167 Y HN 0.974 nan 8.280 nan 0.000 0.543 168 G N 0.178 108.759 108.800 -0.365 0.000 2.731 168 G HA2 -0.172 3.781 3.960 -0.012 0.000 0.686 168 G HA3 -0.172 3.781 3.960 -0.012 0.000 0.686 168 G C -0.973 173.477 174.900 -0.750 0.000 1.395 168 G CA -0.556 44.214 45.100 -0.550 0.000 0.870 168 G HN 0.127 nan 8.290 nan 0.000 0.591 169 F N -1.403 118.544 119.950 -0.004 0.000 2.754 169 F HA 0.679 5.200 4.527 -0.011 0.000 0.320 169 F C 1.012 176.946 175.800 0.223 0.000 1.156 169 F CA 0.020 58.059 58.000 0.066 0.000 0.950 169 F CB 1.369 40.269 39.000 -0.168 0.000 1.388 169 F HN 0.861 nan 8.300 nan 0.000 0.485 170 H N -1.255 118.031 119.070 0.360 0.000 2.899 170 H HA -0.170 4.379 4.556 -0.012 0.000 0.282 170 H C 1.465 176.985 175.328 0.321 0.000 1.198 170 H CA 0.084 56.224 56.048 0.152 0.000 1.140 170 H CB -1.235 28.437 29.762 -0.151 0.000 1.317 170 H HN 0.879 nan 8.280 nan 0.000 0.375 171 G N -0.232 108.848 108.800 0.466 0.000 2.476 171 G HA2 -0.336 3.617 3.960 -0.012 0.000 0.218 171 G HA3 -0.336 3.617 3.960 -0.012 0.000 0.218 171 G C 1.622 176.557 174.900 0.059 0.000 1.164 171 G CA 1.553 46.821 45.100 0.281 0.000 0.768 171 G HN 0.478 nan 8.290 nan 0.000 0.560 172 T N 0.526 115.119 114.554 0.066 0.000 2.684 172 T HA -0.163 4.180 4.350 -0.012 0.000 0.267 172 T C 2.664 177.351 174.700 -0.021 0.000 1.036 172 T CA 1.756 63.850 62.100 -0.010 0.000 1.148 172 T CB -0.391 68.480 68.868 0.005 0.000 0.863 172 T HN 0.358 nan 8.240 nan 0.000 0.436 173 S N 0.340 116.046 115.700 0.011 0.000 2.356 173 S HA -0.200 4.263 4.470 -0.012 0.000 0.223 173 S C 1.997 176.604 174.600 0.011 0.000 1.032 173 S CA 1.149 59.361 58.200 0.019 0.000 1.005 173 S CB -0.514 62.699 63.200 0.020 0.000 0.867 173 S HN 0.562 nan 8.310 nan 0.000 0.449 174 H N 0.915 120.027 119.070 0.070 0.000 2.319 174 H HA -0.033 4.515 4.556 -0.012 0.000 0.299 174 H C 2.582 177.806 175.328 -0.172 0.000 1.092 174 H CA 1.666 57.754 56.048 0.067 0.000 1.302 174 H CB -0.384 29.546 29.762 0.279 0.000 1.373 174 H HN 0.361 nan 8.280 nan 0.000 0.497 175 R N 0.232 120.438 120.500 -0.491 0.000 2.070 175 R HA -0.181 4.152 4.340 -0.012 0.000 0.233 175 R C 2.335 178.478 176.300 -0.261 0.000 1.137 175 R CA 1.580 57.204 56.100 -0.794 0.000 0.945 175 R CB -0.691 28.904 30.300 -1.175 0.000 0.845 175 R HN 0.303 nan 8.270 nan 0.000 0.430 176 Y N 1.125 121.285 120.300 -0.234 0.000 2.081 176 Y HA -0.270 4.273 4.550 -0.012 0.000 0.280 176 Y C 2.163 178.018 175.900 -0.075 0.000 1.163 176 Y CA 1.986 60.013 58.100 -0.122 0.000 1.135 176 Y CB -0.470 37.936 38.460 -0.089 0.000 0.970 176 Y HN -0.136 nan 8.280 nan 0.000 0.498 177 V N 0.297 120.212 119.914 0.001 0.000 2.407 177 V HA -0.312 3.801 4.120 -0.012 0.000 0.248 177 V C 2.670 178.708 176.094 -0.094 0.000 1.055 177 V CA 2.082 64.343 62.300 -0.065 0.000 1.049 177 V CB -1.174 30.672 31.823 0.039 0.000 0.662 177 V HN 0.686 nan 8.190 nan 0.000 0.455 178 S N 0.136 115.806 115.700 -0.050 0.000 2.399 178 S HA -0.257 4.206 4.470 -0.012 0.000 0.231 178 S C 1.764 176.329 174.600 -0.059 0.000 1.022 178 S CA 1.785 59.974 58.200 -0.019 0.000 0.983 178 S CB -0.423 62.803 63.200 0.043 0.000 0.803 178 S HN 0.739 nan 8.310 nan 0.000 0.480 179 E N 0.730 120.852 120.200 -0.129 0.000 2.072 179 E HA -0.066 4.277 4.350 -0.012 0.000 0.190 179 E C 2.511 179.017 176.600 -0.158 0.000 0.982 179 E CA 1.094 57.413 56.400 -0.134 0.000 0.803 179 E CB -0.134 29.471 29.700 -0.159 0.000 0.755 179 E HN 0.466 nan 8.360 nan 0.000 0.453 180 Q N 0.260 119.899 119.800 -0.269 0.000 2.167 180 Q HA -0.062 4.271 4.340 -0.012 0.000 0.202 180 Q C 2.177 178.146 176.000 -0.052 0.000 0.970 180 Q CA 1.262 56.936 55.803 -0.214 0.000 0.855 180 Q CB -0.292 28.244 28.738 -0.335 0.000 0.911 180 Q HN 0.266 nan 8.270 nan 0.000 0.438 181 A N 1.171 123.963 122.820 -0.047 0.000 1.877 181 A HA -0.077 4.236 4.320 -0.012 0.000 0.216 181 A C 2.342 179.974 177.584 0.081 0.000 1.186 181 A CA 1.908 53.960 52.037 0.024 0.000 0.620 181 A CB -0.691 18.310 19.000 0.003 0.000 0.822 181 A HN 0.355 nan 8.150 nan 0.000 0.443 182 A N -0.295 122.546 122.820 0.035 0.000 1.933 182 A HA 0.172 4.485 4.320 -0.012 0.000 0.218 182 A C 2.455 180.065 177.584 0.043 0.000 1.175 182 A CA 2.069 54.129 52.037 0.039 0.000 0.628 182 A CB -0.860 18.150 19.000 0.017 0.000 0.814 182 A HN 1.012 nan 8.150 nan 0.000 0.444 183 A N -1.436 121.405 122.820 0.035 0.000 1.897 183 A HA 0.043 4.356 4.320 -0.012 0.000 0.215 183 A C 2.013 179.632 177.584 0.059 0.000 1.181 183 A CA 1.294 53.348 52.037 0.027 0.000 0.620 183 A CB -0.688 18.313 19.000 0.003 0.000 0.821 183 A HN 0.643 nan 8.150 nan 0.000 0.443 184 F N 0.391 120.321 119.950 -0.034 0.000 2.202 184 F HA -0.091 4.429 4.527 -0.011 0.000 0.301 184 F C 1.527 177.322 175.800 -0.009 0.000 1.082 184 F CA 1.533 59.522 58.000 -0.019 0.000 1.313 184 F CB 0.019 39.009 39.000 -0.017 0.000 1.024 184 F HN 0.119 nan 8.300 nan 0.000 0.495 185 L N -0.355 120.919 121.223 0.084 0.000 2.607 185 L HA 0.069 4.402 4.340 -0.012 0.000 0.228 185 L C -0.031 176.817 176.870 -0.036 0.000 1.123 185 L CA 0.196 55.045 54.840 0.015 0.000 0.890 185 L CB -0.348 41.777 42.059 0.110 0.000 1.103 185 L HN -0.008 nan 8.230 nan 0.000 0.468 186 D N 1.192 121.567 120.400 -0.042 0.000 2.835 186 D HA -0.168 4.465 4.640 -0.012 0.000 0.230 186 D C 0.206 176.499 176.300 -0.012 0.000 1.130 186 D CA 0.858 54.836 54.000 -0.037 0.000 0.738 186 D CB -0.595 40.170 40.800 -0.058 0.000 1.090 186 D HN 0.355 nan 8.370 nan 0.000 0.433 187 R N 0.091 120.594 120.500 0.005 0.000 2.750 187 R HA 0.531 4.864 4.340 -0.012 0.000 0.281 187 R C -2.352 173.957 176.300 0.015 0.000 0.972 187 R CA -1.556 54.553 56.100 0.014 0.000 0.912 187 R CB 2.036 32.353 30.300 0.027 0.000 1.187 187 R HN -0.119 nan 8.270 nan 0.000 0.464 188 P HA 0.015 nan 4.420 nan 0.000 0.275 188 P C 0.394 177.706 177.300 0.021 0.000 1.227 188 P CA -0.376 62.733 63.100 0.015 0.000 0.781 188 P CB 0.853 32.561 31.700 0.013 0.000 0.906 189 L N 4.088 125.323 121.223 0.021 0.000 2.079 189 L HA -0.150 4.183 4.340 -0.012 0.000 0.210 189 L C 2.482 179.372 176.870 0.033 0.000 1.081 189 L CA 1.845 56.701 54.840 0.027 0.000 0.752 189 L CB -0.710 41.364 42.059 0.024 0.000 0.896 189 L HN 0.316 nan 8.230 nan 0.000 0.433 190 R N -0.960 119.557 120.500 0.028 0.000 2.193 190 R HA -0.062 4.271 4.340 -0.012 0.000 0.229 190 R C 1.820 178.137 176.300 0.027 0.000 1.110 190 R CA 0.970 57.087 56.100 0.027 0.000 0.988 190 R CB -0.518 29.795 30.300 0.022 0.000 0.871 190 R HN 0.552 nan 8.270 nan 0.000 0.458 191 G N -0.579 108.238 108.800 0.029 0.000 3.141 191 G HA2 0.140 4.093 3.960 -0.012 0.000 0.218 191 G HA3 0.140 4.093 3.960 -0.012 0.000 0.218 191 G C 0.131 175.061 174.900 0.050 0.000 1.170 191 G CA -0.260 44.860 45.100 0.034 0.000 0.769 191 G HN 0.026 nan 8.290 nan 0.000 0.546 192 L N 0.558 121.811 121.223 0.051 0.000 2.329 192 L HA 0.478 4.811 4.340 -0.012 0.000 0.279 192 L C -0.397 176.507 176.870 0.057 0.000 1.014 192 L CA -0.760 54.117 54.840 0.060 0.000 0.814 192 L CB 2.197 44.286 42.059 0.051 0.000 1.257 192 L HN -0.056 nan 8.230 nan 0.000 0.424 193 K N 3.870 124.305 120.400 0.059 0.000 2.274 193 K HA 0.466 4.779 4.320 -0.012 0.000 0.262 193 K C -1.026 175.578 176.600 0.007 0.000 0.961 193 K CA -0.622 55.685 56.287 0.033 0.000 0.833 193 K CB 1.902 34.426 32.500 0.040 0.000 1.102 193 K HN 0.519 nan 8.250 nan 0.000 0.436 194 Q N 2.295 122.105 119.800 0.017 0.000 2.462 194 Q HA 0.550 4.883 4.340 -0.012 0.000 0.285 194 Q C -1.156 174.866 176.000 0.036 0.000 1.035 194 Q CA -0.951 54.864 55.803 0.020 0.000 0.799 194 Q CB 1.518 30.275 28.738 0.033 0.000 1.452 194 Q HN 0.442 nan 8.270 nan 0.000 0.404 195 I N 1.397 121.988 120.570 0.035 0.000 2.441 195 I HA 0.551 4.713 4.170 -0.012 0.000 0.295 195 I C -0.873 175.280 176.117 0.060 0.000 0.994 195 I CA -1.294 60.048 61.300 0.069 0.000 1.144 195 I CB 2.182 40.224 38.000 0.071 0.000 1.314 195 I HN 0.424 nan 8.210 nan 0.000 0.445 196 V N 6.989 126.988 119.914 0.142 0.000 2.540 196 V HA 0.438 4.551 4.120 -0.012 0.000 0.302 196 V C -0.369 175.835 176.094 0.183 0.000 1.035 196 V CA -0.569 61.826 62.300 0.158 0.000 0.873 196 V CB 1.997 34.005 31.823 0.309 0.000 0.992 196 V HN 0.442 nan 8.190 nan 0.000 0.428 197 L N 4.266 125.497 121.223 0.013 0.000 2.324 197 L HA 0.476 4.809 4.340 -0.012 0.000 0.274 197 L C -0.289 176.614 176.870 0.055 0.000 1.012 197 L CA -0.506 54.343 54.840 0.014 0.000 0.859 197 L CB 0.812 42.745 42.059 -0.209 0.000 1.224 197 L HN 0.712 nan 8.230 nan 0.000 0.429 198 H N 4.895 123.956 119.070 -0.014 0.000 2.969 198 H HA 0.422 4.971 4.556 -0.012 0.000 0.269 198 H C -0.857 174.430 175.328 -0.069 0.000 1.223 198 H CA -0.300 55.669 56.048 -0.133 0.000 1.400 198 H CB 0.340 29.884 29.762 -0.363 0.000 1.500 198 H HN 0.475 nan 8.280 nan 0.000 0.486 199 L N 5.862 127.014 121.223 -0.117 0.000 2.283 199 L HA 0.491 4.824 4.340 -0.012 0.000 0.281 199 L C 0.755 177.534 176.870 -0.151 0.000 1.033 199 L CA -0.329 54.498 54.840 -0.021 0.000 0.848 199 L CB 1.241 43.356 42.059 0.093 0.000 1.226 199 L HN 0.762 nan 8.230 nan 0.000 0.429 200 G N 1.203 109.949 108.800 -0.091 0.000 3.259 200 G HA2 0.063 4.016 3.960 -0.012 0.000 0.178 200 G HA3 0.063 4.016 3.960 -0.012 0.000 0.178 200 G C 0.393 175.278 174.900 -0.024 0.000 1.129 200 G CA -0.139 44.899 45.100 -0.103 0.000 0.816 200 G HN 0.439 nan 8.290 nan 0.000 0.634 201 N N -0.236 118.482 118.700 0.031 0.000 2.084 201 N HA 0.090 4.823 4.740 -0.012 0.000 0.190 201 N C 1.214 176.800 175.510 0.126 0.000 1.030 201 N CA 1.694 54.789 53.050 0.074 0.000 0.849 201 N CB -0.432 38.104 38.487 0.082 0.000 1.012 201 N HN 0.596 nan 8.380 nan 0.000 0.423 202 G N -1.388 107.524 108.800 0.187 0.000 2.425 202 G HA2 0.506 4.459 3.960 -0.012 0.000 0.302 202 G HA3 0.506 4.459 3.960 -0.012 0.000 0.302 202 G C -1.151 173.945 174.900 0.325 0.000 1.159 202 G CA -0.427 44.830 45.100 0.262 0.000 0.865 202 G HN 0.348 nan 8.290 nan 0.000 0.515 203 C N 0.696 120.185 119.300 0.316 0.000 2.535 203 C HA 0.879 5.332 4.460 -0.012 0.000 0.319 203 C C 0.090 175.234 174.990 0.256 0.000 1.171 203 C CA -0.722 58.462 59.018 0.277 0.000 1.394 203 C CB 0.699 28.573 27.740 0.223 0.000 1.990 203 C HN 1.077 nan 8.230 nan 0.000 0.466 204 S N 1.612 117.489 115.700 0.294 0.000 2.596 204 S HA 0.936 5.399 4.470 -0.012 0.000 0.270 204 S C -1.103 173.678 174.600 0.301 0.000 1.155 204 S CA -0.436 57.920 58.200 0.261 0.000 0.827 204 S CB 1.660 65.102 63.200 0.403 0.000 1.130 204 S HN 1.554 nan 8.310 nan 0.000 0.467 205 A N 1.041 123.984 122.820 0.205 0.000 2.413 205 A HA 0.961 5.273 4.320 -0.012 0.000 0.307 205 A C -0.194 177.546 177.584 0.260 0.000 1.087 205 A CA -0.446 51.758 52.037 0.277 0.000 0.750 205 A CB 1.599 20.679 19.000 0.133 0.000 1.296 205 A HN 1.997 nan 8.150 nan 0.000 0.423 206 S N -0.035 115.792 115.700 0.212 0.000 2.569 206 S HA 0.854 5.317 4.470 -0.012 0.000 0.280 206 S C -0.534 174.061 174.600 -0.008 0.000 1.111 206 S CA -0.137 58.057 58.200 -0.011 0.000 0.887 206 S CB 1.803 64.900 63.200 -0.172 0.000 1.095 206 S HN 2.092 nan 8.310 nan 0.000 0.476 207 A N 2.046 124.684 122.820 -0.304 0.000 2.304 207 A HA 0.813 5.126 4.320 -0.012 0.000 0.314 207 A C -0.701 176.807 177.584 -0.127 0.000 1.187 207 A CA -0.781 51.104 52.037 -0.254 0.000 0.810 207 A CB 0.137 18.810 19.000 -0.545 0.000 1.183 207 A HN 0.851 nan 8.150 nan 0.000 0.487 208 I N 1.910 122.462 120.570 -0.030 0.000 2.466 208 I HA 0.549 4.712 4.170 -0.012 0.000 0.289 208 I C 0.232 176.354 176.117 0.008 0.000 1.026 208 I CA -0.533 60.773 61.300 0.011 0.000 1.078 208 I CB 2.287 40.356 38.000 0.115 0.000 1.249 208 I HN 0.673 nan 8.210 nan 0.000 0.429 209 A N 4.893 127.708 122.820 -0.009 0.000 2.277 209 A HA 0.753 5.065 4.320 -0.012 0.000 0.318 209 A C 0.701 178.295 177.584 0.017 0.000 1.339 209 A CA 0.235 52.274 52.037 0.003 0.000 0.875 209 A CB 0.356 19.348 19.000 -0.014 0.000 1.158 209 A HN 1.122 nan 8.150 nan 0.000 0.514 210 G N 2.481 111.302 108.800 0.036 0.000 2.634 210 G HA2 -0.378 3.575 3.960 -0.012 0.000 0.318 210 G HA3 -0.378 3.575 3.960 -0.012 0.000 0.318 210 G C 1.207 176.147 174.900 0.067 0.000 1.207 210 G CA 1.735 46.861 45.100 0.043 0.000 0.987 210 G HN 1.964 nan 8.290 nan 0.000 0.547 211 T N -1.417 113.174 114.554 0.061 0.000 3.122 211 T HA 0.472 4.815 4.350 -0.012 0.000 0.250 211 T C 0.887 175.627 174.700 0.066 0.000 1.067 211 T CA 1.108 63.268 62.100 0.100 0.000 0.966 211 T CB 0.245 69.162 68.868 0.081 0.000 1.002 211 T HN 0.634 nan 8.240 nan 0.000 0.542 212 R N 2.432 122.929 120.500 -0.006 0.000 2.409 212 R HA 0.417 4.750 4.340 -0.012 0.000 0.313 212 R C -3.009 173.187 176.300 -0.172 0.000 0.953 212 R CA -2.420 53.612 56.100 -0.113 0.000 0.849 212 R CB 1.571 31.819 30.300 -0.088 0.000 1.171 212 R HN 0.106 nan 8.270 nan 0.000 0.458 213 P HA 0.048 nan 4.420 nan 0.000 0.271 213 P C 0.031 177.217 177.300 -0.191 0.000 1.216 213 P CA 0.015 62.942 63.100 -0.288 0.000 0.771 213 P CB 1.073 32.485 31.700 -0.479 0.000 0.864 214 L N 0.585 121.706 121.223 -0.169 0.000 2.515 214 L HA 0.304 4.636 4.340 -0.012 0.000 0.223 214 L C 0.836 177.570 176.870 -0.227 0.000 1.079 214 L CA 0.810 55.542 54.840 -0.179 0.000 0.857 214 L CB -0.027 41.938 42.059 -0.157 0.000 1.050 214 L HN 0.398 nan 8.230 nan 0.000 0.476 215 D N -1.986 118.233 120.400 -0.302 0.000 2.710 215 D HA 0.354 4.987 4.640 -0.012 0.000 0.276 215 D C -1.293 174.750 176.300 -0.429 0.000 1.267 215 D CA -0.029 53.748 54.000 -0.371 0.000 0.772 215 D CB 2.350 42.880 40.800 -0.449 0.000 1.299 215 D HN -0.238 nan 8.370 nan 0.000 0.421 216 T N -1.116 113.241 114.554 -0.328 0.000 2.830 216 T HA 0.369 4.712 4.350 -0.012 0.000 0.322 216 T C 0.637 175.307 174.700 -0.051 0.000 1.501 216 T CA 0.299 62.226 62.100 -0.287 0.000 1.036 216 T CB 1.012 69.344 68.868 -0.894 0.000 1.379 216 T HN 0.295 nan 8.240 nan 0.000 0.493 217 S N 2.571 118.278 115.700 0.011 0.000 2.446 217 S HA 0.262 4.725 4.470 -0.012 0.000 0.225 217 S C 1.002 175.583 174.600 -0.032 0.000 1.016 217 S CA 0.025 58.210 58.200 -0.025 0.000 0.943 217 S CB -0.377 62.576 63.200 -0.412 0.000 0.786 217 S HN 0.655 nan 8.310 nan 0.000 0.508 218 M N 1.276 120.867 119.600 -0.015 0.000 2.202 218 M HA 0.503 4.976 4.480 -0.012 0.000 0.316 218 M C 1.126 177.504 176.300 0.129 0.000 1.138 218 M CA 0.146 55.501 55.300 0.092 0.000 1.151 218 M CB 1.017 33.736 32.600 0.198 0.000 1.422 218 M HN 0.399 nan 8.290 nan 0.000 0.471 219 G N 0.121 109.077 108.800 0.259 0.000 3.407 219 G HA2 0.294 4.247 3.960 -0.012 0.000 0.187 219 G HA3 0.294 4.247 3.960 -0.012 0.000 0.187 219 G C 0.224 175.392 174.900 0.446 0.000 1.262 219 G CA -0.452 44.831 45.100 0.305 0.000 0.808 219 G HN 0.643 nan 8.290 nan 0.000 0.687 220 L N 0.979 122.504 121.223 0.504 0.000 2.079 220 L HA 0.164 4.497 4.340 -0.012 0.000 0.210 220 L C 1.473 178.720 176.870 0.627 0.000 1.081 220 L CA 2.600 57.789 54.840 0.582 0.000 0.752 220 L CB -0.585 41.724 42.059 0.416 0.000 0.896 220 L HN 0.700 nan 8.230 nan 0.000 0.433 221 T N -6.244 108.571 114.554 0.435 0.000 2.864 221 T HA 0.483 4.826 4.350 -0.012 0.000 0.289 221 T C -2.368 172.307 174.700 -0.042 0.000 1.082 221 T CA -1.438 60.788 62.100 0.211 0.000 1.009 221 T CB 1.312 70.229 68.868 0.083 0.000 1.234 221 T HN -0.212 nan 8.240 nan 0.000 0.526 222 P HA 0.134 nan 4.420 nan 0.000 0.244 222 P C 1.188 178.405 177.300 -0.138 0.000 1.211 222 P CA -0.088 62.760 63.100 -0.421 0.000 0.760 222 P CB -0.114 31.230 31.700 -0.594 0.000 0.961 223 L N -0.309 120.876 121.223 -0.063 0.000 2.179 223 L HA 0.080 4.413 4.340 -0.012 0.000 0.208 223 L C 0.958 177.837 176.870 0.015 0.000 1.096 223 L CA 1.167 55.994 54.840 -0.021 0.000 0.779 223 L CB -0.764 41.286 42.059 -0.015 0.000 0.922 223 L HN -0.087 nan 8.230 nan 0.000 0.443 224 E N -1.065 119.163 120.200 0.046 0.000 2.390 224 E HA 0.419 4.762 4.350 -0.012 0.000 0.261 224 E C 0.606 177.219 176.600 0.023 0.000 1.076 224 E CA 0.584 57.024 56.400 0.066 0.000 0.905 224 E CB 0.330 30.106 29.700 0.127 0.000 0.984 224 E HN 0.416 nan 8.360 nan 0.000 0.427 225 G N 2.467 111.274 108.800 0.011 0.000 2.659 225 G HA2 -0.229 3.724 3.960 -0.012 0.000 0.214 225 G HA3 -0.229 3.724 3.960 -0.012 0.000 0.214 225 G C -0.441 174.341 174.900 -0.197 0.000 1.191 225 G CA -0.313 44.688 45.100 -0.164 0.000 1.141 225 G HN 0.549 nan 8.290 nan 0.000 0.581 226 L N 1.022 122.058 121.223 -0.313 0.000 2.479 226 L HA 0.411 4.744 4.340 -0.012 0.000 0.270 226 L C 1.284 178.147 176.870 -0.012 0.000 1.236 226 L CA -0.639 54.089 54.840 -0.187 0.000 0.823 226 L CB 0.350 42.293 42.059 -0.194 0.000 1.098 226 L HN 0.424 nan 8.230 nan 0.000 0.500 227 V N 2.381 122.320 119.914 0.042 0.000 2.637 227 V HA 0.129 4.242 4.120 -0.012 0.000 0.296 227 V C 0.506 176.794 176.094 0.323 0.000 1.046 227 V CA 0.391 62.807 62.300 0.194 0.000 1.066 227 V CB 0.943 32.937 31.823 0.286 0.000 0.968 227 V HN 0.638 nan 8.190 nan 0.000 0.483 228 M N 2.495 122.252 119.600 0.262 0.000 2.788 228 M HA 0.478 4.951 4.480 -0.012 0.000 0.291 228 M C 1.579 178.014 176.300 0.225 0.000 1.213 228 M CA -0.186 55.264 55.300 0.251 0.000 0.768 228 M CB 1.222 33.921 32.600 0.165 0.000 1.766 228 M HN 0.602 nan 8.290 nan 0.000 0.460 229 G N -0.056 108.855 108.800 0.184 0.000 2.491 229 G HA2 -0.194 3.759 3.960 -0.012 0.000 0.218 229 G HA3 -0.194 3.759 3.960 -0.012 0.000 0.218 229 G C 1.194 176.174 174.900 0.133 0.000 1.180 229 G CA 2.024 47.223 45.100 0.165 0.000 0.774 229 G HN 0.772 nan 8.290 nan 0.000 0.562 230 T N -2.976 111.647 114.554 0.115 0.000 3.058 230 T HA 0.420 4.763 4.350 -0.012 0.000 0.278 230 T C 0.676 175.414 174.700 0.063 0.000 0.974 230 T CA -0.500 61.658 62.100 0.096 0.000 0.893 230 T CB 0.423 69.359 68.868 0.114 0.000 1.138 230 T HN 0.209 nan 8.240 nan 0.000 0.529 231 R N 1.115 121.654 120.500 0.065 0.000 2.664 231 R HA 0.558 4.891 4.340 -0.012 0.000 0.286 231 R C 1.236 177.573 176.300 0.062 0.000 0.967 231 R CA -0.010 56.110 56.100 0.034 0.000 0.933 231 R CB 1.603 31.912 30.300 0.015 0.000 1.146 231 R HN 0.258 nan 8.270 nan 0.000 0.468 232 S N 0.880 116.607 115.700 0.045 0.000 2.406 232 S HA 0.028 4.491 4.470 -0.012 0.000 0.228 232 S C 1.244 175.883 174.600 0.065 0.000 1.020 232 S CA 0.391 58.627 58.200 0.059 0.000 0.965 232 S CB -0.358 62.870 63.200 0.046 0.000 0.798 232 S HN 1.019 nan 8.310 nan 0.000 0.488 233 G N 1.896 110.727 108.800 0.051 0.000 2.562 233 G HA2 -0.210 3.742 3.960 -0.012 0.000 0.250 233 G HA3 -0.210 3.742 3.960 -0.012 0.000 0.250 233 G C -1.104 173.831 174.900 0.058 0.000 1.269 233 G CA -0.120 45.008 45.100 0.047 0.000 0.919 233 G HN 0.469 nan 8.290 nan 0.000 0.574 234 D N 0.395 120.842 120.400 0.078 0.000 2.488 234 D HA 0.470 5.103 4.640 -0.012 0.000 0.238 234 D C 0.577 176.916 176.300 0.065 0.000 1.138 234 D CA 1.357 55.410 54.000 0.088 0.000 0.873 234 D CB 1.205 42.080 40.800 0.125 0.000 1.183 234 D HN 0.801 nan 8.370 nan 0.000 0.458 235 I N 0.775 121.376 120.570 0.050 0.000 2.828 235 I HA 0.030 4.193 4.170 -0.012 0.000 0.295 235 I C -1.246 174.884 176.117 0.023 0.000 1.459 235 I CA -0.838 60.483 61.300 0.036 0.000 1.015 235 I CB 2.279 40.299 38.000 0.035 0.000 1.345 235 I HN 0.053 nan 8.210 nan 0.000 0.449 236 D N 8.512 128.920 120.400 0.012 0.000 2.520 236 D HA 0.062 4.695 4.640 -0.012 0.000 0.243 236 D C -1.577 174.726 176.300 0.005 0.000 1.160 236 D CA -1.234 52.767 54.000 0.002 0.000 0.877 236 D CB 1.281 42.074 40.800 -0.013 0.000 1.150 236 D HN 0.278 nan 8.370 nan 0.000 0.494 237 P HA -0.093 nan 4.420 nan 0.000 0.223 237 P C 1.083 178.393 177.300 0.016 0.000 1.144 237 P CA 0.508 63.609 63.100 0.001 0.000 0.783 237 P CB 0.216 31.906 31.700 -0.017 0.000 0.771 238 S N -0.007 115.703 115.700 0.016 0.000 2.469 238 S HA -0.100 4.362 4.470 -0.012 0.000 0.238 238 S C 1.965 176.609 174.600 0.074 0.000 0.998 238 S CA 1.256 59.477 58.200 0.036 0.000 0.957 238 S CB -1.212 61.993 63.200 0.009 0.000 0.764 238 S HN 0.129 nan 8.310 nan 0.000 0.514 239 V N 0.523 120.474 119.914 0.061 0.000 2.380 239 V HA -0.190 3.923 4.120 -0.012 0.000 0.251 239 V C 2.116 178.293 176.094 0.138 0.000 1.063 239 V CA 1.618 63.985 62.300 0.112 0.000 1.055 239 V CB -1.508 30.363 31.823 0.081 0.000 0.657 239 V HN 0.390 nan 8.190 nan 0.000 0.455 240 V N 0.036 120.002 119.914 0.086 0.000 2.244 240 V HA -0.243 3.870 4.120 -0.012 0.000 0.244 240 V C 2.792 178.932 176.094 0.078 0.000 1.042 240 V CA 2.334 64.672 62.300 0.063 0.000 1.006 240 V CB -1.031 30.811 31.823 0.031 0.000 0.641 240 V HN 0.589 nan 8.190 nan 0.000 0.446 241 S N -1.005 114.755 115.700 0.099 0.000 2.369 241 S HA -0.332 4.131 4.470 -0.012 0.000 0.225 241 S C 2.019 176.750 174.600 0.220 0.000 1.043 241 S CA 2.542 60.830 58.200 0.146 0.000 1.074 241 S CB -0.555 62.738 63.200 0.155 0.000 0.962 241 S HN 0.654 nan 8.310 nan 0.000 0.433 242 Y N 1.506 121.857 120.300 0.086 0.000 2.165 242 Y HA -0.069 4.474 4.550 -0.013 0.000 0.286 242 Y C 1.984 177.930 175.900 0.076 0.000 1.155 242 Y CA 1.787 59.937 58.100 0.083 0.000 1.164 242 Y CB -0.423 38.064 38.460 0.045 0.000 0.978 242 Y HN 0.275 nan 8.280 nan 0.000 0.513 243 L N -1.283 119.973 121.223 0.055 0.000 2.217 243 L HA -0.190 4.143 4.340 -0.012 0.000 0.211 243 L C 2.811 179.637 176.870 -0.072 0.000 1.107 243 L CA 0.956 55.766 54.840 -0.051 0.000 0.783 243 L CB -0.670 41.408 42.059 0.032 0.000 0.919 243 L HN 0.456 nan 8.230 nan 0.000 0.442 244 C N -0.546 118.724 119.300 -0.050 0.000 2.436 244 C HA -0.199 4.254 4.460 -0.012 0.000 0.277 244 C C 2.882 177.775 174.990 -0.162 0.000 1.241 244 C CA 0.813 59.762 59.018 -0.115 0.000 1.721 244 C CB -0.797 26.850 27.740 -0.153 0.000 2.043 244 C HN 0.508 nan 8.230 nan 0.000 0.472 245 H N -0.088 118.930 119.070 -0.086 0.000 2.389 245 H HA -0.065 4.484 4.556 -0.012 0.000 0.299 245 H C 2.515 177.757 175.328 -0.142 0.000 1.081 245 H CA 2.264 58.255 56.048 -0.094 0.000 1.345 245 H CB -0.371 29.351 29.762 -0.067 0.000 1.393 245 H HN 0.764 nan 8.280 nan 0.000 0.520 246 T N -2.440 112.034 114.554 -0.133 0.000 3.045 246 T HA 0.237 4.580 4.350 -0.012 0.000 0.239 246 T C 2.067 176.683 174.700 -0.140 0.000 1.008 246 T CA 0.499 62.484 62.100 -0.190 0.000 1.143 246 T CB -0.239 68.396 68.868 -0.389 0.000 0.894 246 T HN 0.184 nan 8.240 nan 0.000 0.451 247 A N 0.717 123.450 122.820 -0.145 0.000 2.251 247 A HA 0.610 4.923 4.320 -0.012 0.000 0.209 247 A C 2.000 179.545 177.584 -0.064 0.000 1.187 247 A CA 0.598 52.584 52.037 -0.085 0.000 0.823 247 A CB -1.230 17.730 19.000 -0.067 0.000 0.846 247 A HN 1.441 nan 8.150 nan 0.000 0.486 248 G N -0.835 107.921 108.800 -0.073 0.000 2.187 248 G HA2 -0.310 3.643 3.960 -0.012 0.000 0.261 248 G HA3 -0.310 3.643 3.960 -0.012 0.000 0.261 248 G C 0.234 175.099 174.900 -0.058 0.000 1.000 248 G CA 0.748 45.809 45.100 -0.066 0.000 0.718 248 G HN 0.470 nan 8.290 nan 0.000 0.519 249 M N 0.719 120.286 119.600 -0.054 0.000 2.238 249 M HA 0.435 4.907 4.480 -0.012 0.000 0.347 249 M C 1.302 177.577 176.300 -0.042 0.000 1.173 249 M CA 0.575 55.852 55.300 -0.038 0.000 1.147 249 M CB 0.804 33.390 32.600 -0.023 0.000 1.547 249 M HN 0.231 nan 8.290 nan 0.000 0.455 250 G N 1.524 110.304 108.800 -0.033 0.000 2.444 250 G HA2 0.367 4.320 3.960 -0.012 0.000 0.268 250 G HA3 0.367 4.320 3.960 -0.012 0.000 0.268 250 G C 0.826 175.712 174.900 -0.024 0.000 1.203 250 G CA -0.849 44.231 45.100 -0.033 0.000 0.835 250 G HN 0.661 nan 8.290 nan 0.000 0.543 251 V N 1.880 121.777 119.914 -0.028 0.000 2.250 251 V HA -0.234 3.879 4.120 -0.012 0.000 0.250 251 V C 2.563 178.650 176.094 -0.012 0.000 1.060 251 V CA 2.489 64.777 62.300 -0.020 0.000 1.030 251 V CB -0.494 31.314 31.823 -0.027 0.000 0.643 251 V HN 0.676 nan 8.190 nan 0.000 0.445 252 D N -0.392 120.001 120.400 -0.012 0.000 2.178 252 D HA -0.144 4.489 4.640 -0.012 0.000 0.201 252 D C 1.852 178.156 176.300 0.007 0.000 0.980 252 D CA 1.300 55.297 54.000 -0.004 0.000 0.842 252 D CB -0.334 40.463 40.800 -0.006 0.000 0.948 252 D HN 0.513 nan 8.370 nan 0.000 0.472 253 D N -0.912 119.490 120.400 0.004 0.000 2.149 253 D HA -0.061 4.572 4.640 -0.012 0.000 0.201 253 D C 2.137 178.449 176.300 0.019 0.000 0.972 253 D CA 0.280 54.288 54.000 0.013 0.000 0.835 253 D CB 0.109 40.913 40.800 0.007 0.000 0.966 253 D HN 0.007 nan 8.370 nan 0.000 0.476 254 V N 0.694 120.615 119.914 0.012 0.000 2.255 254 V HA -0.262 3.851 4.120 -0.012 0.000 0.247 254 V C 2.355 178.458 176.094 0.016 0.000 1.051 254 V CA 1.797 64.108 62.300 0.017 0.000 1.018 254 V CB -0.506 31.327 31.823 0.016 0.000 0.641 254 V HN 0.136 nan 8.190 nan 0.000 0.445 255 E N 0.365 120.571 120.200 0.009 0.000 2.070 255 E HA -0.247 4.096 4.350 -0.012 0.000 0.197 255 E C 2.436 179.035 176.600 -0.002 0.000 1.004 255 E CA 1.923 58.323 56.400 0.000 0.000 0.805 255 E CB -0.560 29.139 29.700 -0.001 0.000 0.744 255 E HN 0.480 nan 8.360 nan 0.000 0.451 256 S N -1.007 114.713 115.700 0.034 0.000 2.368 256 S HA -0.130 4.333 4.470 -0.012 0.000 0.224 256 S C 1.885 176.536 174.600 0.086 0.000 1.029 256 S CA 1.434 59.693 58.200 0.098 0.000 0.988 256 S CB -0.347 62.930 63.200 0.129 0.000 0.838 256 S HN 0.406 nan 8.310 nan 0.000 0.462 257 M N 1.129 120.763 119.600 0.056 0.000 2.080 257 M HA -0.072 4.401 4.480 -0.012 0.000 0.260 257 M C 1.891 178.207 176.300 0.025 0.000 1.068 257 M CA 1.668 56.998 55.300 0.050 0.000 1.109 257 M CB -1.005 31.619 32.600 0.041 0.000 1.342 257 M HN 0.406 nan 8.290 nan 0.000 0.405 258 L N -0.179 121.047 121.223 0.004 0.000 2.131 258 L HA -0.236 4.097 4.340 -0.012 0.000 0.210 258 L C 1.717 178.555 176.870 -0.053 0.000 1.092 258 L CA 1.418 56.253 54.840 -0.009 0.000 0.759 258 L CB -0.748 41.308 42.059 -0.004 0.000 0.903 258 L HN 0.440 nan 8.230 nan 0.000 0.435 259 N N -2.118 116.497 118.700 -0.141 0.000 2.402 259 N HA -0.051 4.681 4.740 -0.012 0.000 0.174 259 N C 1.512 176.772 175.510 -0.417 0.000 1.027 259 N CA 0.490 53.344 53.050 -0.328 0.000 0.891 259 N CB 0.296 38.464 38.487 -0.533 0.000 1.016 259 N HN 0.291 nan 8.380 nan 0.000 0.439 260 H N -0.874 118.216 119.070 0.034 0.000 3.058 260 H HA 0.331 4.879 4.556 -0.013 0.000 0.258 260 H C 0.432 175.781 175.328 0.035 0.000 1.015 260 H CA 0.304 56.372 56.048 0.034 0.000 1.210 260 H CB 0.873 30.649 29.762 0.023 0.000 1.481 260 H HN 0.088 nan 8.280 nan 0.000 0.492 261 R N 0.371 120.939 120.500 0.114 0.000 2.629 261 R HA 0.337 4.670 4.340 -0.012 0.000 0.408 261 R C 0.029 176.367 176.300 0.064 0.000 1.057 261 R CA -0.036 56.115 56.100 0.085 0.000 1.119 261 R CB 1.245 31.590 30.300 0.075 0.000 1.403 261 R HN -0.083 nan 8.270 nan 0.000 0.576 262 S N -0.490 115.246 115.700 0.059 0.000 2.694 262 S HA 0.807 5.270 4.470 -0.012 0.000 0.286 262 S C 0.617 175.261 174.600 0.073 0.000 1.080 262 S CA -0.043 58.192 58.200 0.058 0.000 0.953 262 S CB 1.243 64.472 63.200 0.048 0.000 1.313 262 S HN 0.432 nan 8.310 nan 0.000 0.555 263 G N 0.091 108.942 108.800 0.086 0.000 2.562 263 G HA2 -0.234 3.719 3.960 -0.012 0.000 0.250 263 G HA3 -0.234 3.719 3.960 -0.012 0.000 0.250 263 G C 0.677 175.648 174.900 0.117 0.000 1.269 263 G CA -0.151 45.020 45.100 0.119 0.000 0.919 263 G HN 0.827 nan 8.290 nan 0.000 0.574 264 V N -0.087 119.908 119.914 0.135 0.000 2.332 264 V HA -0.188 3.925 4.120 -0.012 0.000 0.248 264 V C 2.992 179.113 176.094 0.046 0.000 1.055 264 V CA 2.621 64.971 62.300 0.083 0.000 1.038 264 V CB -0.816 31.047 31.823 0.068 0.000 0.651 264 V HN 0.889 nan 8.190 nan 0.000 0.450 265 V N 0.692 120.642 119.914 0.060 0.000 2.307 265 V HA -0.131 3.981 4.120 -0.012 0.000 0.245 265 V C 2.543 178.662 176.094 0.042 0.000 1.045 265 V CA 2.257 64.584 62.300 0.045 0.000 1.024 265 V CB -0.815 31.043 31.823 0.057 0.000 0.651 265 V HN 0.584 nan 8.190 nan 0.000 0.449 266 G N -0.614 108.218 108.800 0.053 0.000 2.475 266 G HA2 -0.242 3.711 3.960 -0.012 0.000 0.220 266 G HA3 -0.242 3.711 3.960 -0.012 0.000 0.220 266 G C 1.490 176.414 174.900 0.041 0.000 1.125 266 G CA 1.285 46.414 45.100 0.048 0.000 0.755 266 G HN 0.533 nan 8.290 nan 0.000 0.565 267 L N 0.347 121.595 121.223 0.041 0.000 2.416 267 L HA 0.155 4.488 4.340 -0.012 0.000 0.216 267 L C 2.533 179.415 176.870 0.020 0.000 1.098 267 L CA 1.159 56.021 54.840 0.035 0.000 0.840 267 L CB 0.342 42.430 42.059 0.047 0.000 0.981 267 L HN 0.424 nan 8.230 nan 0.000 0.462 268 S N -2.520 113.186 115.700 0.010 0.000 2.679 268 S HA 0.253 4.716 4.470 -0.012 0.000 0.258 268 S C 1.374 175.968 174.600 -0.010 0.000 1.068 268 S CA 0.446 58.641 58.200 -0.007 0.000 1.115 268 S CB 1.147 64.329 63.200 -0.030 0.000 1.078 268 S HN 0.348 nan 8.310 nan 0.000 0.603 269 G N 0.784 109.584 108.800 0.001 0.000 2.179 269 G HA2 -0.229 3.723 3.960 -0.012 0.000 0.260 269 G HA3 -0.229 3.723 3.960 -0.012 0.000 0.260 269 G C 0.050 174.948 174.900 -0.003 0.000 0.977 269 G CA 0.294 45.395 45.100 0.002 0.000 0.641 269 G HN 0.872 nan 8.290 nan 0.000 0.533 270 V N -0.646 119.258 119.914 -0.015 0.000 2.769 270 V HA 0.872 4.985 4.120 -0.012 0.000 0.312 270 V C 1.173 177.263 176.094 -0.006 0.000 1.058 270 V CA 0.543 62.828 62.300 -0.024 0.000 0.952 270 V CB 1.360 33.146 31.823 -0.061 0.000 1.019 270 V HN 0.696 nan 8.190 nan 0.000 0.445 271 R N 1.765 122.271 120.500 0.010 0.000 2.009 271 R HA 0.194 4.527 4.340 -0.012 0.000 0.206 271 R C 0.779 177.124 176.300 0.076 0.000 1.356 271 R CA 0.653 56.781 56.100 0.047 0.000 1.088 271 R CB -0.750 29.579 30.300 0.047 0.000 0.959 271 R HN 0.715 nan 8.270 nan 0.000 0.469 272 D N -0.259 120.173 120.400 0.053 0.000 2.450 272 D HA 0.066 4.699 4.640 -0.012 0.000 0.247 272 D C 0.335 176.686 176.300 0.084 0.000 1.162 272 D CA -0.218 53.828 54.000 0.077 0.000 0.879 272 D CB 0.285 41.104 40.800 0.033 0.000 1.163 272 D HN 0.258 nan 8.370 nan 0.000 0.472 273 F N 2.811 122.711 119.950 -0.083 0.000 2.365 273 F HA -0.111 4.411 4.527 -0.008 0.000 0.300 273 F C 2.617 178.347 175.800 -0.118 0.000 1.090 273 F CA 1.363 59.292 58.000 -0.119 0.000 1.408 273 F CB -0.168 38.749 39.000 -0.137 0.000 1.060 273 F HN 0.488 nan 8.300 nan 0.000 0.534 274 R N 0.578 121.119 120.500 0.068 0.000 2.115 274 R HA -0.029 4.304 4.340 -0.012 0.000 0.226 274 R C 2.262 178.534 176.300 -0.046 0.000 1.100 274 R CA 1.586 57.686 56.100 -0.000 0.000 0.980 274 R CB -1.901 28.401 30.300 0.003 0.000 0.875 274 R HN 0.340 nan 8.270 nan 0.000 0.445 275 R N 0.317 120.787 120.500 -0.049 0.000 2.115 275 R HA 0.223 4.556 4.340 -0.012 0.000 0.226 275 R C 2.359 178.589 176.300 -0.116 0.000 1.100 275 R CA 1.440 57.498 56.100 -0.069 0.000 0.980 275 R CB -1.149 29.120 30.300 -0.051 0.000 0.875 275 R HN 0.425 nan 8.270 nan 0.000 0.445 276 L N 0.690 121.803 121.223 -0.183 0.000 2.042 276 L HA -0.061 4.272 4.340 -0.012 0.000 0.210 276 L C 2.668 179.384 176.870 -0.257 0.000 1.076 276 L CA 2.311 56.986 54.840 -0.275 0.000 0.749 276 L CB -0.450 41.300 42.059 -0.515 0.000 0.893 276 L HN 0.458 nan 8.230 nan 0.000 0.432 277 R N -0.563 119.793 120.500 -0.240 0.000 2.091 277 R HA -0.188 4.145 4.340 -0.012 0.000 0.238 277 R C 2.147 178.364 176.300 -0.138 0.000 1.136 277 R CA 1.886 57.861 56.100 -0.208 0.000 0.959 277 R CB -0.167 30.037 30.300 -0.160 0.000 0.856 277 R HN 0.502 nan 8.270 nan 0.000 0.437 278 E N 0.220 120.357 120.200 -0.106 0.000 2.072 278 E HA -0.182 4.161 4.350 -0.012 0.000 0.191 278 E C 2.108 178.664 176.600 -0.072 0.000 0.985 278 E CA 1.155 57.510 56.400 -0.075 0.000 0.801 278 E CB -0.054 29.611 29.700 -0.059 0.000 0.750 278 E HN 0.342 nan 8.360 nan 0.000 0.452 279 L N 0.691 121.863 121.223 -0.084 0.000 2.083 279 L HA -0.193 4.140 4.340 -0.012 0.000 0.209 279 L C 2.369 179.196 176.870 -0.071 0.000 1.083 279 L CA 0.924 55.721 54.840 -0.073 0.000 0.752 279 L CB -0.261 41.751 42.059 -0.079 0.000 0.899 279 L HN 0.154 nan 8.230 nan 0.000 0.433 280 I N -0.422 120.090 120.570 -0.096 0.000 2.163 280 I HA -0.274 3.889 4.170 -0.012 0.000 0.240 280 I C 2.284 178.366 176.117 -0.057 0.000 1.081 280 I CA 1.401 62.652 61.300 -0.082 0.000 1.353 280 I CB -0.283 37.641 38.000 -0.126 0.000 1.054 280 I HN 0.241 nan 8.210 nan 0.000 0.407 281 E N 0.205 120.367 120.200 -0.064 0.000 2.401 281 E HA -0.168 4.175 4.350 -0.012 0.000 0.199 281 E C 1.899 178.479 176.600 -0.033 0.000 1.023 281 E CA 1.257 57.630 56.400 -0.044 0.000 0.859 281 E CB -0.039 29.633 29.700 -0.047 0.000 0.780 281 E HN 0.465 nan 8.360 nan 0.000 0.523 282 S N -1.145 114.533 115.700 -0.036 0.000 2.556 282 S HA 0.211 4.673 4.470 -0.012 0.000 0.216 282 S C 1.368 175.955 174.600 -0.023 0.000 0.970 282 S CA 0.336 58.520 58.200 -0.027 0.000 0.912 282 S CB 0.721 63.904 63.200 -0.029 0.000 0.790 282 S HN 0.289 nan 8.310 nan 0.000 0.504 283 G N 1.205 109.991 108.800 -0.023 0.000 2.131 283 G HA2 -0.224 3.729 3.960 -0.012 0.000 0.223 283 G HA3 -0.224 3.729 3.960 -0.012 0.000 0.223 283 G C -0.328 174.563 174.900 -0.014 0.000 0.990 283 G CA -0.025 45.066 45.100 -0.015 0.000 0.671 283 G HN 0.690 nan 8.290 nan 0.000 0.521 284 D N 0.197 120.585 120.400 -0.021 0.000 2.417 284 D HA 0.453 5.086 4.640 -0.012 0.000 0.250 284 D C 1.662 177.954 176.300 -0.012 0.000 1.166 284 D CA 1.040 55.029 54.000 -0.019 0.000 0.881 284 D CB 0.598 41.381 40.800 -0.028 0.000 1.164 284 D HN 0.223 nan 8.370 nan 0.000 0.467 285 G N 2.853 111.649 108.800 -0.006 0.000 2.421 285 G HA2 -0.073 3.880 3.960 -0.012 0.000 0.217 285 G HA3 -0.073 3.880 3.960 -0.012 0.000 0.217 285 G C 1.279 176.182 174.900 0.005 0.000 1.143 285 G CA 0.656 45.757 45.100 0.002 0.000 0.784 285 G HN 0.597 nan 8.290 nan 0.000 0.541 286 A N 0.816 123.636 122.820 -0.000 0.000 1.975 286 A HA 0.530 4.843 4.320 -0.012 0.000 0.215 286 A C 2.680 180.264 177.584 0.000 0.000 1.170 286 A CA 1.619 53.658 52.037 0.003 0.000 0.656 286 A CB -0.420 18.580 19.000 -0.000 0.000 0.821 286 A HN 0.543 nan 8.150 nan 0.000 0.449 287 A N -0.512 122.299 122.820 -0.015 0.000 1.873 287 A HA -0.145 4.168 4.320 -0.012 0.000 0.215 287 A C 2.142 179.726 177.584 0.001 0.000 1.186 287 A CA 1.971 53.986 52.037 -0.036 0.000 0.616 287 A CB -0.521 18.438 19.000 -0.068 0.000 0.823 287 A HN 0.493 nan 8.150 nan 0.000 0.442 288 Q N -0.486 119.326 119.800 0.019 0.000 2.135 288 Q HA -0.159 4.174 4.340 -0.012 0.000 0.204 288 Q C 1.799 177.858 176.000 0.098 0.000 0.981 288 Q CA 1.880 57.725 55.803 0.071 0.000 0.856 288 Q CB -0.531 28.237 28.738 0.050 0.000 0.902 288 Q HN 0.508 nan 8.270 nan 0.000 0.425 289 L N 0.036 121.295 121.223 0.059 0.000 2.027 289 L HA 0.033 4.366 4.340 -0.012 0.000 0.206 289 L C 2.137 179.051 176.870 0.074 0.000 1.074 289 L CA 2.200 57.072 54.840 0.054 0.000 0.745 289 L CB -1.301 40.777 42.059 0.033 0.000 0.898 289 L HN 0.240 nan 8.230 nan 0.000 0.433 290 A N -1.106 121.755 122.820 0.068 0.000 1.903 290 A HA -0.350 3.963 4.320 -0.012 0.000 0.219 290 A C 2.354 180.029 177.584 0.151 0.000 1.191 290 A CA 2.292 54.379 52.037 0.083 0.000 0.638 290 A CB -1.413 17.603 19.000 0.027 0.000 0.823 290 A HN 0.652 nan 8.150 nan 0.000 0.451 291 Y N 1.001 121.300 120.300 -0.002 0.000 2.242 291 Y HA -0.107 4.438 4.550 -0.008 0.000 0.291 291 Y C 2.682 178.692 175.900 0.184 0.000 1.137 291 Y CA 1.433 59.559 58.100 0.044 0.000 1.181 291 Y CB -0.387 38.039 38.460 -0.056 0.000 0.989 291 Y HN 0.290 nan 8.280 nan 0.000 0.527 292 S N -0.978 114.747 115.700 0.042 0.000 2.406 292 S HA -0.119 4.344 4.470 -0.012 0.000 0.228 292 S C 2.111 176.729 174.600 0.030 0.000 1.020 292 S CA 1.134 59.321 58.200 -0.022 0.000 0.965 292 S CB -0.425 62.790 63.200 0.024 0.000 0.798 292 S HN 0.303 nan 8.310 nan 0.000 0.488 293 V N 1.220 121.184 119.914 0.082 0.000 2.453 293 V HA -0.117 3.996 4.120 -0.012 0.000 0.247 293 V C 1.813 177.998 176.094 0.151 0.000 1.048 293 V CA 1.570 63.936 62.300 0.110 0.000 1.049 293 V CB -0.658 31.228 31.823 0.106 0.000 0.672 293 V HN 0.545 nan 8.190 nan 0.000 0.457 294 F N 1.439 121.408 119.950 0.032 0.000 2.102 294 F HA -0.224 4.299 4.527 -0.008 0.000 0.298 294 F C 2.423 178.229 175.800 0.010 0.000 1.105 294 F CA 2.390 60.427 58.000 0.061 0.000 1.239 294 F CB -0.585 38.502 39.000 0.145 0.000 0.991 294 F HN 0.097 nan 8.300 nan 0.000 0.474 295 T N -1.176 113.353 114.554 -0.042 0.000 2.746 295 T HA -0.260 4.083 4.350 -0.012 0.000 0.267 295 T C 1.665 176.305 174.700 -0.099 0.000 1.039 295 T CA 1.889 63.902 62.100 -0.146 0.000 1.142 295 T CB -0.659 68.084 68.868 -0.208 0.000 0.866 295 T HN 0.525 nan 8.240 nan 0.000 0.444 296 H N 1.059 120.067 119.070 -0.105 0.000 2.353 296 H HA -0.017 4.532 4.556 -0.012 0.000 0.300 296 H C 2.467 177.753 175.328 -0.071 0.000 1.090 296 H CA 1.822 57.829 56.048 -0.069 0.000 1.327 296 H CB -0.039 29.698 29.762 -0.040 0.000 1.383 296 H HN 0.064 nan 8.280 nan 0.000 0.508 297 R N -0.052 120.398 120.500 -0.084 0.000 2.081 297 R HA -0.078 4.255 4.340 -0.012 0.000 0.235 297 R C 2.209 178.446 176.300 -0.106 0.000 1.131 297 R CA 1.362 57.410 56.100 -0.087 0.000 0.960 297 R CB -0.801 29.484 30.300 -0.024 0.000 0.856 297 R HN 0.439 nan 8.270 nan 0.000 0.436 298 L N 0.662 121.751 121.223 -0.224 0.000 2.056 298 L HA -0.028 4.305 4.340 -0.012 0.000 0.207 298 L C 1.907 178.703 176.870 -0.124 0.000 1.078 298 L CA 1.740 56.458 54.840 -0.204 0.000 0.749 298 L CB -0.430 41.432 42.059 -0.328 0.000 0.901 298 L HN 0.120 nan 8.230 nan 0.000 0.433 299 R N -0.444 119.968 120.500 -0.146 0.000 2.096 299 R HA -0.163 4.170 4.340 -0.012 0.000 0.235 299 R C 2.254 178.453 176.300 -0.169 0.000 1.127 299 R CA 1.680 57.703 56.100 -0.128 0.000 0.968 299 R CB -0.297 29.932 30.300 -0.119 0.000 0.861 299 R HN 0.374 nan 8.270 nan 0.000 0.440 300 K N -0.306 119.948 120.400 -0.243 0.000 2.026 300 K HA -0.163 4.150 4.320 -0.012 0.000 0.208 300 K C 1.940 178.342 176.600 -0.330 0.000 1.048 300 K CA 1.591 57.704 56.287 -0.289 0.000 0.929 300 K CB -0.228 32.064 32.500 -0.348 0.000 0.713 300 K HN 0.165 nan 8.250 nan 0.000 0.439 301 Y N 1.037 121.151 120.300 -0.311 0.000 2.207 301 Y HA -0.204 4.339 4.550 -0.012 0.000 0.287 301 Y C 2.065 177.693 175.900 -0.453 0.000 1.156 301 Y CA 1.179 58.998 58.100 -0.469 0.000 1.182 301 Y CB -0.229 37.944 38.460 -0.478 0.000 0.979 301 Y HN 0.015 nan 8.280 nan 0.000 0.521 302 I N -0.859 119.626 120.570 -0.142 0.000 2.226 302 I HA -0.264 3.899 4.170 -0.012 0.000 0.245 302 I C 2.666 178.735 176.117 -0.080 0.000 1.100 302 I CA 1.514 62.759 61.300 -0.091 0.000 1.374 302 I CB -0.871 37.095 38.000 -0.056 0.000 1.057 302 I HN 0.255 nan 8.210 nan 0.000 0.413 303 G N 0.338 109.072 108.800 -0.111 0.000 2.418 303 G HA2 -0.215 3.738 3.960 -0.012 0.000 0.217 303 G HA3 -0.215 3.738 3.960 -0.012 0.000 0.217 303 G C 1.868 176.717 174.900 -0.085 0.000 1.158 303 G CA 0.779 45.826 45.100 -0.089 0.000 0.771 303 G HN 0.485 nan 8.290 nan 0.000 0.545 304 A N 0.067 122.787 122.820 -0.166 0.000 1.902 304 A HA 0.000 4.313 4.320 -0.012 0.000 0.217 304 A C 2.244 179.885 177.584 0.096 0.000 1.181 304 A CA 1.508 53.469 52.037 -0.126 0.000 0.623 304 A CB -0.527 18.277 19.000 -0.327 0.000 0.818 304 A HN 0.377 nan 8.150 nan 0.000 0.443 305 Y N -0.303 119.969 120.300 -0.047 0.000 2.475 305 Y HA 0.126 4.670 4.550 -0.011 0.000 0.289 305 Y C 2.061 177.943 175.900 -0.030 0.000 1.121 305 Y CA -0.127 57.959 58.100 -0.024 0.000 1.257 305 Y CB -0.830 37.634 38.460 0.007 0.000 1.026 305 Y HN 0.186 nan 8.280 nan 0.000 0.555 306 L N -0.704 120.583 121.223 0.105 0.000 2.079 306 L HA -0.218 4.115 4.340 -0.012 0.000 0.210 306 L C 2.563 179.451 176.870 0.030 0.000 1.081 306 L CA 1.315 56.179 54.840 0.040 0.000 0.752 306 L CB -0.662 41.403 42.059 0.010 0.000 0.896 306 L HN 0.145 nan 8.230 nan 0.000 0.433 307 A N -0.584 122.256 122.820 0.033 0.000 1.930 307 A HA -0.073 4.240 4.320 -0.012 0.000 0.215 307 A C 2.315 179.912 177.584 0.022 0.000 1.176 307 A CA 1.096 53.145 52.037 0.019 0.000 0.632 307 A CB -0.614 18.389 19.000 0.005 0.000 0.819 307 A HN 0.155 nan 8.150 nan 0.000 0.445 308 V N 0.287 120.226 119.914 0.041 0.000 2.332 308 V HA -0.273 3.839 4.120 -0.012 0.000 0.248 308 V C 2.524 178.612 176.094 -0.009 0.000 1.055 308 V CA 2.075 64.380 62.300 0.008 0.000 1.038 308 V CB -0.743 31.073 31.823 -0.011 0.000 0.651 308 V HN 0.562 nan 8.190 nan 0.000 0.450 309 L N -0.780 120.445 121.223 0.002 0.000 2.131 309 L HA 0.184 4.517 4.340 -0.012 0.000 0.206 309 L C 2.167 179.051 176.870 0.023 0.000 1.087 309 L CA 1.209 56.049 54.840 0.000 0.000 0.767 309 L CB -0.691 41.365 42.059 -0.005 0.000 0.917 309 L HN 0.559 nan 8.230 nan 0.000 0.441 310 G N -0.602 108.214 108.800 0.028 0.000 3.909 310 G HA2 -0.388 3.565 3.960 -0.012 0.000 0.218 310 G HA3 -0.388 3.565 3.960 -0.012 0.000 0.218 310 G C 0.250 175.203 174.900 0.088 0.000 1.404 310 G CA 0.526 45.654 45.100 0.048 0.000 0.905 310 G HN 0.500 nan 8.290 nan 0.000 0.589 311 H N 1.127 120.200 119.070 0.005 0.000 2.524 311 H HA 0.739 5.288 4.556 -0.012 0.000 0.353 311 H C -0.862 174.474 175.328 0.013 0.000 1.136 311 H CA 0.375 56.428 56.048 0.009 0.000 1.193 311 H CB 2.007 31.773 29.762 0.007 0.000 1.558 311 H HN 0.243 nan 8.280 nan 0.000 0.515 312 T N 5.021 119.205 114.554 -0.617 0.000 2.879 312 T HA 0.149 4.492 4.350 -0.012 0.000 0.290 312 T C 0.096 174.518 174.700 -0.463 0.000 0.993 312 T CA -0.702 61.165 62.100 -0.389 0.000 0.975 312 T CB 1.307 70.077 68.868 -0.164 0.000 0.981 312 T HN 0.709 nan 8.240 nan 0.000 0.439 313 D N 1.211 121.460 120.400 -0.253 0.000 2.201 313 D HA 0.119 4.751 4.640 -0.012 0.000 0.209 313 D C 0.628 176.907 176.300 -0.035 0.000 0.961 313 D CA 0.880 54.822 54.000 -0.098 0.000 0.861 313 D CB 0.784 41.596 40.800 0.020 0.000 0.997 313 D HN 0.297 nan 8.370 nan 0.000 0.486 314 V N 0.527 120.425 119.914 -0.027 0.000 3.048 314 V HA 0.420 4.533 4.120 -0.012 0.000 0.303 314 V C -1.859 174.227 176.094 -0.013 0.000 1.214 314 V CA -0.754 61.545 62.300 -0.002 0.000 0.984 314 V CB 2.598 34.438 31.823 0.027 0.000 1.054 314 V HN -0.125 nan 8.190 nan 0.000 0.430 315 I N 4.120 124.679 120.570 -0.019 0.000 2.465 315 I HA 0.646 4.808 4.170 -0.012 0.000 0.291 315 I C -0.313 175.755 176.117 -0.082 0.000 1.014 315 I CA -0.303 60.959 61.300 -0.063 0.000 1.093 315 I CB 2.349 40.297 38.000 -0.086 0.000 1.267 315 I HN 0.571 nan 8.210 nan 0.000 0.431 316 S N 4.982 120.603 115.700 -0.131 0.000 2.532 316 S HA 0.623 5.086 4.470 -0.012 0.000 0.299 316 S C -0.738 173.747 174.600 -0.191 0.000 1.105 316 S CA -0.528 57.618 58.200 -0.091 0.000 1.018 316 S CB 1.123 64.299 63.200 -0.039 0.000 1.021 316 S HN 0.249 nan 8.310 nan 0.000 0.483 317 F N 1.566 121.507 119.950 -0.016 0.000 2.385 317 F HA 0.687 5.208 4.527 -0.011 0.000 0.336 317 F C 1.094 176.861 175.800 -0.055 0.000 1.100 317 F CA -0.051 57.936 58.000 -0.023 0.000 1.116 317 F CB 1.756 40.743 39.000 -0.023 0.000 1.166 317 F HN 0.476 nan 8.300 nan 0.000 0.511 318 T N 0.953 115.557 114.554 0.084 0.000 2.731 318 T HA 0.686 5.029 4.350 -0.012 0.000 0.300 318 T C -0.774 173.813 174.700 -0.187 0.000 1.283 318 T CA 0.234 62.308 62.100 -0.043 0.000 1.005 318 T CB 0.926 69.763 68.868 -0.052 0.000 1.420 318 T HN 1.488 nan 8.240 nan 0.000 0.503 319 A N -0.530 122.126 122.820 -0.273 0.000 6.643 319 A HA 0.096 4.409 4.320 -0.012 0.000 0.230 319 A C 1.447 178.899 177.584 -0.221 0.000 2.273 319 A CA 1.124 52.935 52.037 -0.376 0.000 0.690 319 A CB -1.917 16.576 19.000 -0.846 0.000 0.908 319 A HN 2.096 nan 8.150 nan 0.000 0.366 320 G N -1.132 107.547 108.800 -0.202 0.000 2.476 320 G HA2 -0.089 3.864 3.960 -0.012 0.000 0.218 320 G HA3 -0.089 3.864 3.960 -0.012 0.000 0.218 320 G C 1.393 176.210 174.900 -0.138 0.000 1.164 320 G CA 1.869 46.885 45.100 -0.140 0.000 0.768 320 G HN 0.990 nan 8.290 nan 0.000 0.560 321 I N 0.897 121.361 120.570 -0.178 0.000 2.277 321 I HA 0.040 4.203 4.170 -0.012 0.000 0.243 321 I C 3.141 179.194 176.117 -0.107 0.000 1.094 321 I CA 0.821 62.007 61.300 -0.190 0.000 1.393 321 I CB -0.655 37.131 38.000 -0.357 0.000 1.078 321 I HN 0.222 nan 8.210 nan 0.000 0.417 322 G N 0.695 109.461 108.800 -0.057 0.000 2.469 322 G HA2 -0.259 3.694 3.960 -0.012 0.000 0.220 322 G HA3 -0.259 3.694 3.960 -0.012 0.000 0.220 322 G C 1.514 176.404 174.900 -0.017 0.000 1.136 322 G CA 0.913 46.037 45.100 0.040 0.000 0.759 322 G HN 0.443 nan 8.290 nan 0.000 0.562 323 E N -0.219 119.951 120.200 -0.050 0.000 2.216 323 E HA -0.010 4.333 4.350 -0.012 0.000 0.192 323 E C 1.986 178.549 176.600 -0.062 0.000 0.988 323 E CA 0.911 57.280 56.400 -0.051 0.000 0.834 323 E CB 0.036 29.703 29.700 -0.056 0.000 0.772 323 E HN 0.556 nan 8.360 nan 0.000 0.479 324 N N -0.320 118.338 118.700 -0.071 0.000 2.445 324 N HA -0.028 4.705 4.740 -0.012 0.000 0.204 324 N C -0.153 175.319 175.510 -0.064 0.000 1.098 324 N CA -0.053 52.960 53.050 -0.062 0.000 0.859 324 N CB 0.832 39.287 38.487 -0.054 0.000 1.249 324 N HN -0.109 nan 8.380 nan 0.000 0.462 325 D N 0.753 121.109 120.400 -0.072 0.000 2.411 325 D HA 0.280 4.913 4.640 -0.012 0.000 0.225 325 D C 0.452 176.707 176.300 -0.075 0.000 1.156 325 D CA -0.184 53.786 54.000 -0.051 0.000 0.874 325 D CB 1.281 42.069 40.800 -0.020 0.000 1.034 325 D HN 0.225 nan 8.370 nan 0.000 0.502 326 A N 3.637 126.418 122.820 -0.065 0.000 1.968 326 A HA 0.033 4.346 4.320 -0.012 0.000 0.217 326 A C 2.042 179.597 177.584 -0.048 0.000 1.169 326 A CA 1.364 53.353 52.037 -0.079 0.000 0.638 326 A CB -0.166 18.800 19.000 -0.057 0.000 0.812 326 A HN 0.590 nan 8.150 nan 0.000 0.446 327 A N -0.441 122.377 122.820 -0.003 0.000 1.930 327 A HA 0.020 4.333 4.320 -0.012 0.000 0.217 327 A C 2.177 179.845 177.584 0.140 0.000 1.175 327 A CA 1.671 53.741 52.037 0.055 0.000 0.627 327 A CB -0.804 18.220 19.000 0.041 0.000 0.815 327 A HN 0.338 nan 8.150 nan 0.000 0.443 328 V N 0.104 120.110 119.914 0.153 0.000 2.343 328 V HA -0.274 3.839 4.120 -0.012 0.000 0.247 328 V C 2.647 178.788 176.094 0.079 0.000 1.051 328 V CA 2.235 64.689 62.300 0.256 0.000 1.036 328 V CB -0.795 31.196 31.823 0.279 0.000 0.654 328 V HN 0.539 nan 8.190 nan 0.000 0.451 329 R N -0.363 120.030 120.500 -0.178 0.000 2.081 329 R HA -0.166 4.167 4.340 -0.012 0.000 0.235 329 R C 2.546 178.773 176.300 -0.121 0.000 1.131 329 R CA 1.683 57.506 56.100 -0.461 0.000 0.960 329 R CB -0.425 29.409 30.300 -0.776 0.000 0.856 329 R HN 0.414 nan 8.270 nan 0.000 0.436 330 R N 0.926 121.399 120.500 -0.045 0.000 2.073 330 R HA -0.144 4.189 4.340 -0.012 0.000 0.234 330 R C 1.306 177.646 176.300 0.067 0.000 1.134 330 R CA 1.855 57.966 56.100 0.019 0.000 0.952 330 R CB -0.108 30.207 30.300 0.026 0.000 0.850 330 R HN 0.159 nan 8.270 nan 0.000 0.433 331 D N 0.123 120.585 120.400 0.104 0.000 2.219 331 D HA -0.105 4.527 4.640 -0.012 0.000 0.205 331 D C 1.578 177.934 176.300 0.092 0.000 0.970 331 D CA 1.304 55.371 54.000 0.112 0.000 0.851 331 D CB -0.011 40.886 40.800 0.162 0.000 0.943 331 D HN 0.395 nan 8.370 nan 0.000 0.488 332 A N 0.415 123.310 122.820 0.126 0.000 1.970 332 A HA -0.042 4.271 4.320 -0.012 0.000 0.216 332 A C 2.138 179.802 177.584 0.133 0.000 1.170 332 A CA 1.448 53.574 52.037 0.147 0.000 0.645 332 A CB -0.003 19.166 19.000 0.282 0.000 0.816 332 A HN 0.232 nan 8.150 nan 0.000 0.447 333 V N -4.200 115.799 119.914 0.142 0.000 3.432 333 V HA 0.292 4.405 4.120 -0.012 0.000 0.298 333 V C 0.530 176.669 176.094 0.075 0.000 1.464 333 V CA 0.063 62.433 62.300 0.116 0.000 1.046 333 V CB -0.354 31.568 31.823 0.166 0.000 0.887 333 V HN 0.156 nan 8.190 nan 0.000 0.441 334 S N 1.529 117.268 115.700 0.065 0.000 2.573 334 S HA 0.485 4.948 4.470 -0.012 0.000 0.277 334 S C 1.381 176.005 174.600 0.040 0.000 1.346 334 S CA 0.926 59.156 58.200 0.049 0.000 1.034 334 S CB 0.593 63.821 63.200 0.047 0.000 0.879 334 S HN 1.756 nan 8.310 nan 0.000 0.528 335 G N 1.724 110.544 108.800 0.034 0.000 2.143 335 G HA2 -0.236 3.717 3.960 -0.012 0.000 0.248 335 G HA3 -0.236 3.717 3.960 -0.012 0.000 0.248 335 G C 0.257 175.170 174.900 0.023 0.000 0.991 335 G CA 0.386 45.502 45.100 0.027 0.000 0.689 335 G HN 0.625 nan 8.290 nan 0.000 0.522 336 M N -0.482 119.133 119.600 0.026 0.000 2.484 336 M HA 0.237 4.710 4.480 -0.012 0.000 0.307 336 M C 1.614 177.927 176.300 0.021 0.000 1.149 336 M CA 0.045 55.358 55.300 0.021 0.000 0.972 336 M CB 0.364 32.978 32.600 0.024 0.000 1.400 336 M HN 0.184 nan 8.290 nan 0.000 0.508 337 E N 1.506 121.719 120.200 0.022 0.000 2.097 337 E HA -0.210 4.133 4.350 -0.012 0.000 0.196 337 E C 1.283 177.894 176.600 0.018 0.000 1.000 337 E CA 1.417 57.830 56.400 0.022 0.000 0.804 337 E CB -0.061 29.652 29.700 0.021 0.000 0.740 337 E HN 0.497 nan 8.360 nan 0.000 0.454 338 E N -0.182 120.027 120.200 0.016 0.000 2.472 338 E HA -0.071 4.272 4.350 -0.012 0.000 0.200 338 E C 1.034 177.641 176.600 0.012 0.000 1.046 338 E CA 0.356 56.764 56.400 0.014 0.000 0.871 338 E CB 0.072 29.779 29.700 0.011 0.000 0.806 338 E HN 0.279 nan 8.360 nan 0.000 0.533 339 L N -1.129 120.101 121.223 0.012 0.000 2.640 339 L HA 0.269 4.602 4.340 -0.012 0.000 0.230 339 L C 1.220 178.096 176.870 0.011 0.000 1.123 339 L CA 0.219 55.065 54.840 0.009 0.000 0.900 339 L CB 0.474 42.535 42.059 0.004 0.000 1.146 339 L HN 0.221 nan 8.230 nan 0.000 0.484 340 G N 1.021 109.831 108.800 0.016 0.000 2.159 340 G HA2 -0.236 3.717 3.960 -0.012 0.000 0.227 340 G HA3 -0.236 3.717 3.960 -0.012 0.000 0.227 340 G C 0.028 174.940 174.900 0.020 0.000 0.986 340 G CA -0.396 44.714 45.100 0.018 0.000 0.651 340 G HN 0.252 nan 8.290 nan 0.000 0.523 341 I N 1.149 121.733 120.570 0.024 0.000 2.355 341 I HA 0.539 4.702 4.170 -0.012 0.000 0.288 341 I C -0.131 176.009 176.117 0.037 0.000 0.999 341 I CA -1.132 60.188 61.300 0.033 0.000 1.163 341 I CB 2.013 40.036 38.000 0.039 0.000 1.316 341 I HN -0.110 nan 8.210 nan 0.000 0.454 342 V N 7.167 127.106 119.914 0.040 0.000 2.409 342 V HA 0.325 4.437 4.120 -0.012 0.000 0.290 342 V C -0.270 175.850 176.094 0.043 0.000 1.017 342 V CA -0.617 61.706 62.300 0.038 0.000 0.841 342 V CB 1.724 33.567 31.823 0.033 0.000 1.003 342 V HN 0.437 nan 8.190 nan 0.000 0.426 343 L N 3.856 125.105 121.223 0.044 0.000 2.350 343 L HA 0.579 4.912 4.340 -0.012 0.000 0.275 343 L C -0.155 176.734 176.870 0.032 0.000 1.099 343 L CA 0.402 55.267 54.840 0.043 0.000 0.808 343 L CB 1.394 43.479 42.059 0.043 0.000 1.149 343 L HN 0.782 nan 8.230 nan 0.000 0.442 344 D N 1.836 122.254 120.400 0.029 0.000 2.303 344 D HA 0.189 4.822 4.640 -0.012 0.000 0.236 344 D C 0.583 176.892 176.300 0.015 0.000 1.068 344 D CA -0.277 53.737 54.000 0.023 0.000 0.830 344 D CB 1.116 41.932 40.800 0.027 0.000 1.109 344 D HN 0.532 nan 8.370 nan 0.000 0.496 345 E N 2.753 122.961 120.200 0.013 0.000 2.110 345 E HA -0.186 4.157 4.350 -0.012 0.000 0.193 345 E C 1.642 178.245 176.600 0.004 0.000 0.988 345 E CA 0.695 57.099 56.400 0.008 0.000 0.804 345 E CB 0.034 29.739 29.700 0.009 0.000 0.745 345 E HN 0.549 nan 8.360 nan 0.000 0.458 346 R N 0.770 121.275 120.500 0.008 0.000 2.073 346 R HA -0.032 4.301 4.340 -0.012 0.000 0.229 346 R C 2.193 178.497 176.300 0.007 0.000 1.120 346 R CA 0.972 57.077 56.100 0.007 0.000 0.967 346 R CB 0.063 30.370 30.300 0.010 0.000 0.862 346 R HN 0.025 nan 8.270 nan 0.000 0.436 347 R N -0.157 120.349 120.500 0.010 0.000 2.189 347 R HA -0.042 4.290 4.340 -0.012 0.000 0.218 347 R C 1.761 178.060 176.300 -0.002 0.000 1.074 347 R CA 1.171 57.278 56.100 0.011 0.000 0.991 347 R CB -0.267 30.046 30.300 0.023 0.000 0.883 347 R HN 0.201 nan 8.270 nan 0.000 0.457 348 N N 0.550 119.244 118.700 -0.010 0.000 2.494 348 N HA -0.012 4.721 4.740 -0.012 0.000 0.182 348 N C -0.105 175.384 175.510 -0.035 0.000 1.076 348 N CA 0.199 53.230 53.050 -0.031 0.000 0.908 348 N CB 0.136 38.601 38.487 -0.036 0.000 0.967 348 N HN 0.045 nan 8.380 nan 0.000 0.449 349 L N 1.944 123.154 121.223 -0.021 0.000 2.485 349 L HA 0.127 4.460 4.340 -0.012 0.000 0.275 349 L C -1.530 175.326 176.870 -0.024 0.000 1.207 349 L CA -1.350 53.478 54.840 -0.020 0.000 0.855 349 L CB -0.043 42.009 42.059 -0.011 0.000 1.114 349 L HN 0.185 nan 8.230 nan 0.000 0.485 350 P HA 0.181 nan 4.420 nan 0.000 0.272 350 P C 0.394 177.683 177.300 -0.019 0.000 1.223 350 P CA 0.265 63.349 63.100 -0.027 0.000 0.784 350 P CB 1.426 33.110 31.700 -0.027 0.000 0.923 351 G N 0.280 109.068 108.800 -0.019 0.000 3.426 351 G HA2 -0.018 3.935 3.960 -0.012 0.000 0.196 351 G HA3 -0.018 3.935 3.960 -0.012 0.000 0.196 351 G C 0.156 175.050 174.900 -0.010 0.000 1.763 351 G CA 0.096 45.188 45.100 -0.013 0.000 1.210 351 G HN 0.817 nan 8.290 nan 0.000 0.472 352 A N 1.580 124.395 122.820 -0.009 0.000 2.407 352 A HA 0.626 4.939 4.320 -0.012 0.000 0.248 352 A C 0.483 178.061 177.584 -0.010 0.000 1.082 352 A CA 0.847 52.882 52.037 -0.004 0.000 0.785 352 A CB 0.242 19.244 19.000 0.002 0.000 1.020 352 A HN 0.662 nan 8.150 nan 0.000 0.489 353 K N 0.904 121.302 120.400 -0.004 0.000 2.331 353 K HA 0.793 5.106 4.320 -0.012 0.000 0.238 353 K C 0.153 176.755 176.600 0.003 0.000 1.058 353 K CA -0.273 56.010 56.287 -0.007 0.000 0.871 353 K CB 1.313 33.809 32.500 -0.006 0.000 1.292 353 K HN 1.919 nan 8.250 nan 0.000 0.470 354 G N -0.302 108.500 108.800 0.002 0.000 2.758 354 G HA2 0.037 3.990 3.960 -0.012 0.000 0.686 354 G HA3 0.037 3.990 3.960 -0.012 0.000 0.686 354 G C -0.471 174.419 174.900 -0.017 0.000 1.389 354 G CA -0.549 44.559 45.100 0.014 0.000 0.845 354 G HN 0.822 nan 8.290 nan 0.000 0.572 355 A N 1.102 123.906 122.820 -0.026 0.000 2.520 355 A HA 0.662 4.975 4.320 -0.012 0.000 0.245 355 A C 0.990 178.426 177.584 -0.247 0.000 1.072 355 A CA 1.429 53.354 52.037 -0.187 0.000 0.761 355 A CB 0.034 18.927 19.000 -0.179 0.000 1.004 355 A HN 1.916 nan 8.150 nan 0.000 0.499 356 R N 1.873 122.127 120.500 -0.410 0.000 2.663 356 R HA 0.471 4.804 4.340 -0.012 0.000 0.267 356 R C -0.995 175.162 176.300 -0.237 0.000 1.038 356 R CA -0.815 55.156 56.100 -0.216 0.000 0.886 356 R CB 0.949 31.231 30.300 -0.031 0.000 1.249 356 R HN 0.730 nan 8.270 nan 0.000 0.463 357 Q N 2.703 122.494 119.800 -0.015 0.000 2.288 357 Q HA 0.276 4.608 4.340 -0.012 0.000 0.254 357 Q C 0.300 176.318 176.000 0.031 0.000 0.932 357 Q CA -0.356 55.471 55.803 0.040 0.000 0.902 357 Q CB 1.018 29.855 28.738 0.165 0.000 1.203 357 Q HN 0.809 nan 8.270 nan 0.000 0.415 358 I N -0.445 120.144 120.570 0.031 0.000 4.327 358 I HA 0.226 4.389 4.170 -0.012 0.000 0.331 358 I C 0.173 176.316 176.117 0.043 0.000 1.348 358 I CA -0.543 60.775 61.300 0.029 0.000 1.152 358 I CB 0.653 38.659 38.000 0.010 0.000 1.151 358 I HN 0.372 nan 8.210 nan 0.000 0.410 359 S N 2.084 117.818 115.700 0.057 0.000 2.614 359 S HA 0.712 5.175 4.470 -0.012 0.000 0.265 359 S C 0.548 175.177 174.600 0.050 0.000 1.303 359 S CA -0.319 57.915 58.200 0.056 0.000 1.000 359 S CB 1.380 64.617 63.200 0.062 0.000 0.935 359 S HN 0.393 nan 8.310 nan 0.000 0.551 360 A N 0.813 123.660 122.820 0.044 0.000 2.425 360 A HA 0.241 4.554 4.320 -0.012 0.000 0.242 360 A C 0.936 178.545 177.584 0.042 0.000 1.077 360 A CA -0.420 51.641 52.037 0.039 0.000 0.781 360 A CB -0.300 18.720 19.000 0.033 0.000 1.020 360 A HN 0.879 nan 8.150 nan 0.000 0.494 361 D N 0.479 120.902 120.400 0.039 0.000 2.182 361 D HA -0.144 4.489 4.640 -0.012 0.000 0.201 361 D C 0.806 177.128 176.300 0.037 0.000 0.986 361 D CA 1.929 55.953 54.000 0.039 0.000 0.847 361 D CB -0.017 40.803 40.800 0.033 0.000 0.942 361 D HN 0.755 nan 8.370 nan 0.000 0.467 362 D N -0.657 119.763 120.400 0.033 0.000 2.388 362 D HA -0.003 4.630 4.640 -0.012 0.000 0.221 362 D C 0.092 176.412 176.300 0.034 0.000 1.133 362 D CA -0.188 53.831 54.000 0.032 0.000 0.831 362 D CB -0.339 40.477 40.800 0.027 0.000 0.962 362 D HN -0.220 nan 8.370 nan 0.000 0.502 363 S N 1.444 117.166 115.700 0.037 0.000 2.498 363 S HA 0.137 4.600 4.470 -0.012 0.000 0.281 363 S C -1.296 173.327 174.600 0.038 0.000 1.265 363 S CA -0.986 57.237 58.200 0.037 0.000 1.071 363 S CB 1.089 64.313 63.200 0.041 0.000 0.894 363 S HN -0.099 nan 8.310 nan 0.000 0.491 364 P HA -0.043 nan 4.420 nan 0.000 0.216 364 P C -0.182 177.136 177.300 0.031 0.000 1.153 364 P CA 1.204 64.328 63.100 0.039 0.000 0.858 364 P CB 0.053 31.776 31.700 0.038 0.000 0.789 365 I N -0.939 119.642 120.570 0.019 0.000 2.336 365 I HA 0.124 4.287 4.170 -0.012 0.000 0.292 365 I C 0.306 176.439 176.117 0.027 0.000 0.991 365 I CA -0.648 60.655 61.300 0.005 0.000 1.227 365 I CB 1.467 39.459 38.000 -0.014 0.000 1.366 365 I HN -0.265 nan 8.210 nan 0.000 0.466 366 T N 5.661 120.234 114.554 0.033 0.000 2.919 366 T HA 0.323 4.666 4.350 -0.012 0.000 0.302 366 T C -0.055 174.675 174.700 0.049 0.000 1.031 366 T CA -0.312 61.819 62.100 0.052 0.000 1.127 366 T CB 1.103 70.014 68.868 0.072 0.000 0.952 366 T HN 0.246 nan 8.240 nan 0.000 0.540 367 V N 4.611 124.563 119.914 0.064 0.000 2.531 367 V HA 0.527 4.640 4.120 -0.012 0.000 0.301 367 V C -0.293 175.842 176.094 0.068 0.000 1.034 367 V CA -0.826 61.523 62.300 0.081 0.000 0.865 367 V CB 1.411 33.312 31.823 0.130 0.000 0.995 367 V HN 0.696 nan 8.190 nan 0.000 0.424 368 L N 4.180 125.433 121.223 0.050 0.000 2.323 368 L HA 0.739 5.072 4.340 -0.012 0.000 0.265 368 L C -0.761 176.139 176.870 0.050 0.000 1.012 368 L CA -1.129 53.690 54.840 -0.034 0.000 0.820 368 L CB 2.380 44.340 42.059 -0.166 0.000 1.334 368 L HN 0.304 nan 8.230 nan 0.000 0.427 369 V N 2.209 122.105 119.914 -0.030 0.000 2.394 369 V HA 0.428 4.541 4.120 -0.012 0.000 0.282 369 V C -0.277 175.759 176.094 -0.096 0.000 1.031 369 V CA -0.524 61.774 62.300 -0.003 0.000 0.881 369 V CB 1.864 33.673 31.823 -0.023 0.000 0.982 369 V HN 0.429 nan 8.190 nan 0.000 0.451 370 V N 7.129 127.011 119.914 -0.054 0.000 2.419 370 V HA 0.353 4.466 4.120 -0.012 0.000 0.287 370 V C -2.507 173.582 176.094 -0.008 0.000 1.017 370 V CA -1.901 60.357 62.300 -0.070 0.000 0.844 370 V CB 1.863 33.636 31.823 -0.083 0.000 1.011 370 V HN 0.712 nan 8.190 nan 0.000 0.429 371 P HA 0.118 nan 4.420 nan 0.000 0.265 371 P C 0.037 177.399 177.300 0.104 0.000 1.193 371 P CA 0.433 63.549 63.100 0.027 0.000 0.765 371 P CB 0.508 32.221 31.700 0.022 0.000 0.823 372 T N 2.535 117.121 114.554 0.054 0.000 2.909 372 T HA 0.330 4.673 4.350 -0.012 0.000 0.286 372 T C -0.141 174.512 174.700 -0.078 0.000 1.002 372 T CA -0.298 61.843 62.100 0.068 0.000 1.074 372 T CB -0.210 68.667 68.868 0.015 0.000 0.984 372 T HN 0.257 nan 8.240 nan 0.000 0.495 373 N N 2.897 121.384 118.700 -0.356 0.000 2.725 373 N HA 0.185 4.918 4.740 -0.012 0.000 0.248 373 N C 0.668 175.841 175.510 -0.563 0.000 1.402 373 N CA -0.321 52.490 53.050 -0.397 0.000 0.766 373 N CB 0.848 39.170 38.487 -0.275 0.000 1.223 373 N HN 0.703 nan 8.380 nan 0.000 0.515 374 E N 0.309 120.310 120.200 -0.332 0.000 2.153 374 E HA -0.169 4.174 4.350 -0.012 0.000 0.194 374 E C 0.396 176.878 176.600 -0.197 0.000 0.988 374 E CA 1.245 57.495 56.400 -0.250 0.000 0.811 374 E CB 0.424 30.055 29.700 -0.115 0.000 0.746 374 E HN 0.501 nan 8.360 nan 0.000 0.466 375 E N 0.732 120.834 120.200 -0.163 0.000 2.107 375 E HA -0.139 4.204 4.350 -0.012 0.000 0.191 375 E C 1.856 178.388 176.600 -0.113 0.000 0.982 375 E CA 0.361 56.694 56.400 -0.112 0.000 0.809 375 E CB -0.142 29.507 29.700 -0.086 0.000 0.756 375 E HN 0.078 nan 8.360 nan 0.000 0.459 376 L N 0.620 121.753 121.223 -0.149 0.000 2.046 376 L HA -0.054 4.279 4.340 -0.012 0.000 0.208 376 L C 2.055 178.864 176.870 -0.103 0.000 1.077 376 L CA 1.968 56.741 54.840 -0.111 0.000 0.747 376 L CB -0.861 41.138 42.059 -0.100 0.000 0.896 376 L HN 0.118 nan 8.230 nan 0.000 0.432 377 A N -0.227 122.471 122.820 -0.202 0.000 1.908 377 A HA -0.211 4.101 4.320 -0.012 0.000 0.218 377 A C 2.279 179.833 177.584 -0.050 0.000 1.181 377 A CA 2.239 54.213 52.037 -0.104 0.000 0.627 377 A CB -0.923 17.967 19.000 -0.183 0.000 0.818 377 A HN 0.517 nan 8.150 nan 0.000 0.445 378 I N -0.451 120.076 120.570 -0.072 0.000 2.315 378 I HA -0.240 3.923 4.170 -0.012 0.000 0.248 378 I C 2.902 178.998 176.117 -0.035 0.000 1.117 378 I CA 0.894 62.166 61.300 -0.046 0.000 1.404 378 I CB -0.284 37.682 38.000 -0.056 0.000 1.071 378 I HN 0.369 nan 8.210 nan 0.000 0.419 379 A N 0.950 123.747 122.820 -0.039 0.000 1.898 379 A HA -0.166 4.147 4.320 -0.012 0.000 0.216 379 A C 2.385 179.962 177.584 -0.012 0.000 1.181 379 A CA 1.264 53.284 52.037 -0.028 0.000 0.620 379 A CB -0.461 18.522 19.000 -0.029 0.000 0.819 379 A HN 0.299 nan 8.150 nan 0.000 0.442 380 R N -0.333 120.166 120.500 -0.002 0.000 2.092 380 R HA -0.095 4.237 4.340 -0.012 0.000 0.231 380 R C 1.509 177.818 176.300 0.015 0.000 1.119 380 R CA 1.297 57.406 56.100 0.014 0.000 0.970 380 R CB -0.347 29.973 30.300 0.033 0.000 0.864 380 R HN 0.451 nan 8.270 nan 0.000 0.440 381 D N 0.383 120.791 120.400 0.014 0.000 2.117 381 D HA -0.148 4.485 4.640 -0.012 0.000 0.197 381 D C 1.931 178.240 176.300 0.015 0.000 0.987 381 D CA 1.035 55.047 54.000 0.019 0.000 0.829 381 D CB -0.282 40.530 40.800 0.021 0.000 0.961 381 D HN 0.226 nan 8.370 nan 0.000 0.460 382 C N 0.194 119.497 119.300 0.003 0.000 2.413 382 C HA -0.102 4.350 4.460 -0.012 0.000 0.277 382 C C 2.957 177.948 174.990 0.002 0.000 1.228 382 C CA 0.235 59.253 59.018 -0.000 0.000 1.731 382 C CB -0.923 26.807 27.740 -0.016 0.000 2.042 382 C HN 0.166 nan 8.230 nan 0.000 0.468 383 V N 0.692 120.606 119.914 0.001 0.000 2.332 383 V HA -0.238 3.875 4.120 -0.012 0.000 0.248 383 V C 2.676 178.775 176.094 0.009 0.000 1.055 383 V CA 2.302 64.604 62.300 0.002 0.000 1.038 383 V CB -0.703 31.121 31.823 0.002 0.000 0.651 383 V HN 0.519 nan 8.190 nan 0.000 0.450 384 R N -0.497 120.012 120.500 0.014 0.000 2.073 384 R HA -0.137 4.196 4.340 -0.012 0.000 0.234 384 R C 2.249 178.561 176.300 0.021 0.000 1.134 384 R CA 1.866 57.977 56.100 0.019 0.000 0.952 384 R CB -0.475 29.840 30.300 0.024 0.000 0.850 384 R HN 0.371 nan 8.270 nan 0.000 0.433 385 V N 0.836 120.764 119.914 0.023 0.000 2.809 385 V HA -0.052 4.061 4.120 -0.012 0.000 0.256 385 V C 1.594 177.701 176.094 0.021 0.000 1.080 385 V CA 1.207 63.522 62.300 0.025 0.000 1.102 385 V CB -0.056 31.786 31.823 0.032 0.000 0.705 385 V HN 0.334 nan 8.190 nan 0.000 0.475 386 L N 0.398 121.630 121.223 0.016 0.000 2.645 386 L HA 0.321 4.654 4.340 -0.012 0.000 0.235 386 L C 1.723 178.600 176.870 0.012 0.000 1.150 386 L CA 0.858 55.706 54.840 0.013 0.000 0.911 386 L CB -0.430 41.633 42.059 0.008 0.000 1.077 386 L HN 0.517 nan 8.230 nan 0.000 0.438 387 G N -0.746 108.062 108.800 0.013 0.000 2.194 387 G HA2 -0.172 3.781 3.960 -0.012 0.000 0.236 387 G HA3 -0.172 3.781 3.960 -0.012 0.000 0.236 387 G C 0.350 175.256 174.900 0.011 0.000 0.987 387 G CA -0.318 44.789 45.100 0.013 0.000 0.635 387 G HN 0.614 nan 8.290 nan 0.000 0.520 388 G N 0.000 108.806 108.800 0.010 0.000 5.446 388 G HA2 0.000 3.953 3.960 -0.012 0.000 0.244 388 G HA3 0.000 3.953 3.960 -0.012 0.000 0.244 388 G CA 0.000 45.105 45.100 0.008 0.000 0.502 388 G HN 0.000 nan 8.290 nan 0.000 0.925