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 2j0x_1_A DATA FIRST_RESID 3 DATA SEQUENCE EIVVSKFGGT SVADFDAMNR SADIVLSDAN VRLVVLSASA GITNLLVALA DATA SEQUENCE EGLEPGERFE KLDAIRNIQF AILERLRYPN VIREEIERLL ENITVLAEAA DATA SEQUENCE ALATSPALTD ELVSHGELMS TLLFVEILRE RDVQAQWFDV RKVMRTNDRF DATA SEQUENCE GRAEPDIAAL AELAALQLLP RLNEGLVITQ GFIGSENKGR TTTLGRGGSD DATA SEQUENCE YTAALLAEAL HASRVDIWTD VPGIYTTDPR VVSAAKRIDE IAFAEAAEMA DATA SEQUENCE TFGAKVLHPA TLLPAVRSDI PVFVGSSKDP RAGGTLVCNK TENPPLFRAL DATA SEQUENCE ALRRNQTLLT LHSLNMLHSR GFLAEVFGIL ARHNISVDLI TTSEVSVALT DATA SEQUENCE LDTTGSTSTG DTLLTQSLLM ELSALCRVEV EEGLALVALI GNDLSKACGV DATA SEQUENCE GKEVFGVLEP FNIRMICYGA SSHNLCFLVP GEDAEQVVQK LHSNLFE 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 3 E HA 0.000 nan 4.350 nan 0.000 0.291 3 E C 0.000 176.597 176.600 -0.004 0.000 1.382 3 E CA 0.000 56.397 56.400 -0.004 0.000 0.976 3 E CB 0.000 29.696 29.700 -0.006 0.000 0.812 4 I N 0.665 121.233 120.570 -0.003 0.000 2.377 4 I HA 0.485 4.655 4.170 -0.000 0.000 0.293 4 I C -0.299 175.815 176.117 -0.006 0.000 0.987 4 I CA -1.042 60.254 61.300 -0.007 0.000 1.185 4 I CB 1.876 39.867 38.000 -0.015 0.000 1.341 4 I HN 0.028 nan 8.210 nan 0.000 0.455 5 V N 6.559 126.473 119.914 -0.001 0.000 2.555 5 V HA 0.528 4.647 4.120 -0.000 0.000 0.302 5 V C -0.274 175.825 176.094 0.007 0.000 1.038 5 V CA -0.809 61.492 62.300 0.003 0.000 0.887 5 V CB 2.070 33.902 31.823 0.015 0.000 0.991 5 V HN 0.404 nan 8.190 nan 0.000 0.434 6 V N 3.262 123.174 119.914 -0.004 0.000 2.435 6 V HA 0.554 4.674 4.120 -0.000 0.000 0.290 6 V C 0.135 176.229 176.094 0.001 0.000 1.030 6 V CA -0.217 62.079 62.300 -0.007 0.000 0.881 6 V CB 1.757 33.559 31.823 -0.034 0.000 0.983 6 V HN 0.874 nan 8.190 nan 0.000 0.445 7 S N 4.104 119.821 115.700 0.027 0.000 2.500 7 S HA 0.601 5.071 4.470 -0.000 0.000 0.301 7 S C -0.621 173.937 174.600 -0.071 0.000 1.092 7 S CA -0.700 57.506 58.200 0.010 0.000 1.030 7 S CB 1.519 64.812 63.200 0.155 0.000 1.031 7 S HN 0.687 nan 8.310 nan 0.000 0.483 8 K N 2.699 122.969 120.400 -0.216 0.000 2.324 8 K HA 0.547 4.867 4.320 -0.000 0.000 0.253 8 K C -1.997 174.383 176.600 -0.367 0.000 0.932 8 K CA -0.492 55.685 56.287 -0.183 0.000 0.799 8 K CB 0.964 33.404 32.500 -0.099 0.000 1.154 8 K HN 0.518 nan 8.250 nan 0.000 0.425 9 F N 0.650 120.633 119.950 0.056 0.000 2.529 9 F HA 0.434 4.961 4.527 -0.000 0.000 0.320 9 F C 0.931 176.727 175.800 -0.007 0.000 1.118 9 F CA -0.503 57.522 58.000 0.042 0.000 0.915 9 F CB 2.151 41.112 39.000 -0.064 0.000 1.161 9 F HN 0.642 nan 8.300 nan 0.000 0.445 10 G N 0.693 109.609 108.800 0.194 0.000 2.547 10 G HA2 0.403 4.363 3.960 -0.000 0.000 0.291 10 G HA3 0.403 4.363 3.960 -0.000 0.000 0.291 10 G C 1.055 175.999 174.900 0.074 0.000 1.211 10 G CA -0.231 44.925 45.100 0.092 0.000 0.950 10 G HN 0.912 nan 8.290 nan 0.000 0.504 11 G N -0.546 108.273 108.800 0.031 0.000 2.597 11 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.222 11 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.222 11 G C 1.910 176.826 174.900 0.026 0.000 1.135 11 G CA 2.579 47.691 45.100 0.019 0.000 0.759 11 G HN 1.013 nan 8.290 nan 0.000 0.595 12 T N -1.592 112.983 114.554 0.035 0.000 2.821 12 T HA -0.054 4.295 4.350 -0.000 0.000 0.267 12 T C 2.466 177.184 174.700 0.030 0.000 1.046 12 T CA 1.743 63.864 62.100 0.035 0.000 1.139 12 T CB -0.458 68.434 68.868 0.040 0.000 0.871 12 T HN 0.181 nan 8.240 nan 0.000 0.454 13 S N 1.324 117.055 115.700 0.052 0.000 2.442 13 S HA 0.004 4.473 4.470 -0.000 0.000 0.236 13 S C 1.733 176.274 174.600 -0.098 0.000 1.007 13 S CA 1.157 59.356 58.200 -0.000 0.000 0.965 13 S CB -0.354 62.931 63.200 0.141 0.000 0.773 13 S HN 0.758 nan 8.310 nan 0.000 0.504 14 V N -2.254 117.629 119.914 -0.051 0.000 3.078 14 V HA 0.678 4.798 4.120 -0.000 0.000 0.344 14 V C 1.319 177.419 176.094 0.010 0.000 1.409 14 V CA 0.024 62.294 62.300 -0.050 0.000 1.146 14 V CB -0.395 31.375 31.823 -0.088 0.000 1.126 14 V HN 0.220 nan 8.190 nan 0.000 0.513 15 A N 1.957 124.788 122.820 0.017 0.000 1.978 15 A HA 0.069 4.389 4.320 -0.000 0.000 0.220 15 A C 0.972 178.590 177.584 0.056 0.000 1.170 15 A CA 2.208 54.266 52.037 0.035 0.000 0.636 15 A CB -0.487 18.532 19.000 0.032 0.000 0.810 15 A HN 0.985 nan 8.150 nan 0.000 0.448 16 D N -6.105 114.334 120.400 0.065 0.000 2.838 16 D HA 0.351 4.991 4.640 -0.000 0.000 0.334 16 D C 0.441 176.821 176.300 0.134 0.000 1.315 16 D CA -0.484 53.581 54.000 0.109 0.000 0.917 16 D CB -0.182 40.685 40.800 0.112 0.000 1.435 16 D HN -0.097 nan 8.370 nan 0.000 0.517 17 F N 0.926 120.892 119.950 0.025 0.000 2.025 17 F HA -0.202 4.325 4.527 -0.000 0.000 0.297 17 F C 1.720 177.525 175.800 0.009 0.000 1.132 17 F CA 2.134 60.145 58.000 0.018 0.000 1.191 17 F CB -0.262 38.742 39.000 0.007 0.000 0.963 17 F HN 0.287 nan 8.300 nan 0.000 0.481 18 D N 0.707 121.220 120.400 0.188 0.000 2.126 18 D HA -0.290 4.350 4.640 -0.000 0.000 0.190 18 D C 2.335 178.593 176.300 -0.070 0.000 1.001 18 D CA 1.768 55.797 54.000 0.049 0.000 0.841 18 D CB -0.866 40.002 40.800 0.113 0.000 0.949 18 D HN 0.445 nan 8.370 nan 0.000 0.446 19 A N 1.216 124.019 122.820 -0.029 0.000 1.865 19 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 19 A C 2.371 179.893 177.584 -0.104 0.000 1.191 19 A CA 1.814 53.818 52.037 -0.055 0.000 0.623 19 A CB -0.743 18.245 19.000 -0.021 0.000 0.826 19 A HN 0.150 nan 8.150 nan 0.000 0.444 20 M N -0.356 119.196 119.600 -0.080 0.000 2.144 20 M HA -0.200 4.279 4.480 -0.000 0.000 0.260 20 M C 1.940 178.195 176.300 -0.076 0.000 1.067 20 M CA 1.518 56.829 55.300 0.018 0.000 1.095 20 M CB -0.556 32.106 32.600 0.103 0.000 1.365 20 M HN 0.473 nan 8.290 nan 0.000 0.406 21 N N -0.077 118.458 118.700 -0.276 0.000 2.084 21 N HA -0.166 4.574 4.740 -0.000 0.000 0.190 21 N C 1.707 177.096 175.510 -0.202 0.000 1.030 21 N CA 1.247 54.116 53.050 -0.301 0.000 0.849 21 N CB -0.446 37.828 38.487 -0.356 0.000 1.012 21 N HN 0.368 nan 8.380 nan 0.000 0.423 22 R N 0.847 121.243 120.500 -0.174 0.000 2.119 22 R HA -0.078 4.262 4.340 -0.000 0.000 0.246 22 R C 2.184 178.350 176.300 -0.222 0.000 1.146 22 R CA 1.636 57.641 56.100 -0.158 0.000 0.962 22 R CB -0.028 30.198 30.300 -0.124 0.000 0.863 22 R HN 0.126 nan 8.270 nan 0.000 0.442 23 S N -0.137 115.383 115.700 -0.299 0.000 2.387 23 S HA -0.065 4.404 4.470 -0.000 0.000 0.226 23 S C 1.895 176.309 174.600 -0.309 0.000 1.026 23 S CA 0.919 58.759 58.200 -0.600 0.000 0.972 23 S CB -0.055 62.543 63.200 -1.003 0.000 0.814 23 S HN 0.549 nan 8.310 nan 0.000 0.477 24 A N 2.309 125.066 122.820 -0.105 0.000 1.908 24 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 24 A C 1.779 179.303 177.584 -0.100 0.000 1.181 24 A CA 1.831 53.808 52.037 -0.101 0.000 0.627 24 A CB -0.835 18.000 19.000 -0.274 0.000 0.818 24 A HN 0.353 nan 8.150 nan 0.000 0.445 25 D N 0.238 120.559 120.400 -0.131 0.000 2.133 25 D HA -0.193 4.446 4.640 -0.000 0.000 0.192 25 D C 1.795 178.037 176.300 -0.096 0.000 1.001 25 D CA 1.614 55.549 54.000 -0.108 0.000 0.844 25 D CB -0.434 40.298 40.800 -0.114 0.000 0.944 25 D HN 0.577 nan 8.370 nan 0.000 0.447 26 I N 0.272 120.760 120.570 -0.138 0.000 2.315 26 I HA -0.193 3.976 4.170 -0.000 0.000 0.248 26 I C 2.363 178.473 176.117 -0.012 0.000 1.117 26 I CA 0.435 61.642 61.300 -0.155 0.000 1.404 26 I CB -0.177 37.616 38.000 -0.345 0.000 1.071 26 I HN -0.092 nan 8.210 nan 0.000 0.419 27 V N 1.464 121.420 119.914 0.069 0.000 2.244 27 V HA -0.261 3.858 4.120 -0.000 0.000 0.244 27 V C 2.423 178.562 176.094 0.074 0.000 1.042 27 V CA 1.747 64.137 62.300 0.151 0.000 1.006 27 V CB -0.650 31.295 31.823 0.204 0.000 0.641 27 V HN 0.352 nan 8.190 nan 0.000 0.446 28 L N 0.597 121.835 121.223 0.025 0.000 2.187 28 L HA -0.201 4.139 4.340 -0.000 0.000 0.213 28 L C 2.710 179.582 176.870 0.004 0.000 1.100 28 L CA 1.669 56.511 54.840 0.004 0.000 0.765 28 L CB -0.923 41.120 42.059 -0.025 0.000 0.904 28 L HN 0.464 nan 8.230 nan 0.000 0.437 29 S N -0.670 115.029 115.700 -0.001 0.000 2.365 29 S HA -0.207 4.263 4.470 -0.000 0.000 0.225 29 S C 0.968 175.576 174.600 0.013 0.000 1.039 29 S CA 1.389 59.588 58.200 -0.003 0.000 1.033 29 S CB -0.215 62.975 63.200 -0.017 0.000 0.887 29 S HN 0.441 nan 8.310 nan 0.000 0.447 30 D N -0.388 120.032 120.400 0.033 0.000 2.256 30 D HA 0.565 5.204 4.640 -0.000 0.000 0.240 30 D C 0.495 176.814 176.300 0.032 0.000 1.062 30 D CA 0.214 54.234 54.000 0.033 0.000 0.832 30 D CB 1.720 42.551 40.800 0.052 0.000 1.135 30 D HN 0.240 nan 8.370 nan 0.000 0.484 31 A N 4.167 126.998 122.820 0.019 0.000 2.167 31 A HA -0.093 4.226 4.320 -0.000 0.000 0.214 31 A C 1.510 179.105 177.584 0.018 0.000 1.151 31 A CA 0.533 52.579 52.037 0.016 0.000 0.735 31 A CB -0.081 18.924 19.000 0.008 0.000 0.802 31 A HN 0.539 nan 8.150 nan 0.000 0.467 32 N N 0.138 118.849 118.700 0.019 0.000 2.463 32 N HA -0.009 4.730 4.740 -0.000 0.000 0.181 32 N C 0.701 176.225 175.510 0.024 0.000 1.078 32 N CA 0.943 54.002 53.050 0.015 0.000 0.902 32 N CB 0.056 38.548 38.487 0.008 0.000 0.970 32 N HN 0.433 nan 8.380 nan 0.000 0.451 33 V N -0.281 119.660 119.914 0.045 0.000 2.470 33 V HA 0.332 4.452 4.120 -0.000 0.000 0.276 33 V C 0.684 176.809 176.094 0.052 0.000 1.040 33 V CA -0.240 62.096 62.300 0.061 0.000 1.008 33 V CB 0.968 32.858 31.823 0.112 0.000 0.990 33 V HN -0.034 nan 8.190 nan 0.000 0.477 34 R N 3.454 123.973 120.500 0.032 0.000 2.531 34 R HA 0.501 4.841 4.340 -0.000 0.000 0.316 34 R C -0.593 175.710 176.300 0.004 0.000 0.955 34 R CA -0.337 55.774 56.100 0.017 0.000 1.120 34 R CB 1.040 31.338 30.300 -0.004 0.000 1.361 34 R HN 0.659 nan 8.270 nan 0.000 0.534 35 L N 0.877 122.107 121.223 0.011 0.000 2.406 35 L HA 0.528 4.868 4.340 -0.000 0.000 0.272 35 L C -1.430 175.464 176.870 0.040 0.000 0.980 35 L CA -0.902 53.931 54.840 -0.010 0.000 0.831 35 L CB 2.158 44.184 42.059 -0.056 0.000 1.253 35 L HN -0.259 nan 8.230 nan 0.000 0.406 36 V N 5.576 125.531 119.914 0.068 0.000 2.487 36 V HA 0.585 4.705 4.120 -0.000 0.000 0.298 36 V C -0.518 175.617 176.094 0.068 0.000 1.028 36 V CA -0.756 61.615 62.300 0.119 0.000 0.860 36 V CB 1.942 33.908 31.823 0.238 0.000 0.991 36 V HN 0.478 nan 8.190 nan 0.000 0.427 37 V N 6.377 126.319 119.914 0.048 0.000 2.398 37 V HA 0.558 4.678 4.120 -0.000 0.000 0.286 37 V C -0.142 175.977 176.094 0.042 0.000 1.026 37 V CA -0.417 61.900 62.300 0.028 0.000 0.868 37 V CB 1.458 33.286 31.823 0.009 0.000 0.982 37 V HN 0.633 nan 8.190 nan 0.000 0.443 38 L N 2.843 124.086 121.223 0.034 0.000 2.323 38 L HA 0.664 5.004 4.340 -0.000 0.000 0.265 38 L C 0.239 177.143 176.870 0.056 0.000 1.012 38 L CA -0.379 54.477 54.840 0.027 0.000 0.820 38 L CB 2.385 44.410 42.059 -0.056 0.000 1.334 38 L HN 0.589 nan 8.230 nan 0.000 0.427 39 S N -0.055 115.674 115.700 0.049 0.000 2.719 39 S HA 0.702 5.171 4.470 -0.000 0.000 0.285 39 S C -0.049 174.580 174.600 0.049 0.000 1.137 39 S CA -0.523 57.706 58.200 0.049 0.000 1.012 39 S CB 1.687 64.894 63.200 0.011 0.000 1.134 39 S HN 0.686 nan 8.310 nan 0.000 0.544 40 A N 0.929 123.774 122.820 0.041 0.000 2.332 40 A HA 0.555 4.875 4.320 -0.000 0.000 0.258 40 A C 0.388 177.993 177.584 0.035 0.000 1.087 40 A CA -0.369 51.701 52.037 0.055 0.000 0.802 40 A CB -0.096 18.938 19.000 0.057 0.000 1.042 40 A HN 0.626 nan 8.150 nan 0.000 0.489 41 S N 0.440 116.168 115.700 0.047 0.000 2.563 41 S HA 0.342 4.812 4.470 -0.000 0.000 0.284 41 S C 0.863 175.481 174.600 0.030 0.000 1.331 41 S CA 0.137 58.361 58.200 0.040 0.000 1.047 41 S CB 0.317 63.550 63.200 0.055 0.000 0.859 41 S HN 1.357 nan 8.310 nan 0.000 0.514 42 A N 2.050 124.885 122.820 0.025 0.000 2.587 42 A HA 0.441 4.761 4.320 -0.000 0.000 0.235 42 A C 1.638 179.234 177.584 0.020 0.000 1.044 42 A CA 0.441 52.488 52.037 0.017 0.000 0.754 42 A CB -1.073 17.938 19.000 0.019 0.000 0.968 42 A HN 1.763 nan 8.150 nan 0.000 0.509 43 G N 1.502 110.307 108.800 0.009 0.000 2.454 43 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.225 43 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.225 43 G C 1.046 175.955 174.900 0.015 0.000 1.138 43 G CA 0.412 45.519 45.100 0.012 0.000 0.667 43 G HN 0.695 nan 8.290 nan 0.000 0.512 44 I N 1.818 122.403 120.570 0.025 0.000 2.087 44 I HA -0.218 3.952 4.170 -0.000 0.000 0.240 44 I C 2.924 179.057 176.117 0.028 0.000 1.054 44 I CA 2.793 64.114 61.300 0.035 0.000 1.311 44 I CB -1.888 36.143 38.000 0.052 0.000 1.024 44 I HN 0.372 nan 8.210 nan 0.000 0.402 45 T N 1.018 115.579 114.554 0.012 0.000 2.685 45 T HA -0.240 4.110 4.350 -0.000 0.000 0.268 45 T C 1.712 176.412 174.700 0.001 0.000 1.034 45 T CA 2.103 64.203 62.100 0.000 0.000 1.149 45 T CB -0.584 68.235 68.868 -0.083 0.000 0.860 45 T HN 0.422 nan 8.240 nan 0.000 0.449 46 N N 0.407 119.102 118.700 -0.008 0.000 2.106 46 N HA 0.023 4.763 4.740 -0.000 0.000 0.188 46 N C 1.826 177.340 175.510 0.005 0.000 1.029 46 N CA 0.836 53.884 53.050 -0.004 0.000 0.848 46 N CB -0.268 38.214 38.487 -0.007 0.000 1.007 46 N HN 0.275 nan 8.380 nan 0.000 0.423 47 L N 0.772 122.000 121.223 0.009 0.000 2.012 47 L HA -0.181 4.159 4.340 -0.000 0.000 0.210 47 L C 2.197 179.069 176.870 0.004 0.000 1.073 47 L CA 0.960 55.804 54.840 0.007 0.000 0.748 47 L CB -0.511 41.556 42.059 0.013 0.000 0.891 47 L HN 0.237 nan 8.230 nan 0.000 0.431 48 L N -0.795 120.437 121.223 0.016 0.000 2.042 48 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 48 L C 2.496 179.378 176.870 0.018 0.000 1.076 48 L CA 1.037 55.888 54.840 0.019 0.000 0.749 48 L CB -0.393 41.699 42.059 0.054 0.000 0.893 48 L HN 0.077 nan 8.230 nan 0.000 0.432 49 V N -0.360 119.570 119.914 0.028 0.000 2.515 49 V HA -0.251 3.869 4.120 -0.000 0.000 0.250 49 V C 2.669 178.769 176.094 0.010 0.000 1.058 49 V CA 1.552 63.869 62.300 0.029 0.000 1.064 49 V CB -0.822 31.021 31.823 0.034 0.000 0.675 49 V HN 0.483 nan 8.190 nan 0.000 0.461 50 A N 0.055 122.877 122.820 0.003 0.000 1.883 50 A HA -0.175 4.144 4.320 -0.000 0.000 0.217 50 A C 2.223 179.798 177.584 -0.016 0.000 1.186 50 A CA 1.873 53.907 52.037 -0.005 0.000 0.624 50 A CB -0.531 18.466 19.000 -0.005 0.000 0.822 50 A HN 0.493 nan 8.150 nan 0.000 0.444 51 L N -0.730 120.478 121.223 -0.026 0.000 2.017 51 L HA -0.190 4.149 4.340 -0.000 0.000 0.208 51 L C 3.017 179.862 176.870 -0.041 0.000 1.073 51 L CA 1.106 55.917 54.840 -0.049 0.000 0.745 51 L CB -0.564 41.452 42.059 -0.071 0.000 0.894 51 L HN 0.414 nan 8.230 nan 0.000 0.432 52 A N -0.475 122.330 122.820 -0.026 0.000 2.194 52 A HA -0.232 4.088 4.320 -0.000 0.000 0.220 52 A C 2.095 179.669 177.584 -0.017 0.000 1.162 52 A CA 1.641 53.666 52.037 -0.020 0.000 0.674 52 A CB -0.484 18.517 19.000 0.002 0.000 0.789 52 A HN 0.510 nan 8.150 nan 0.000 0.470 53 E N -1.441 118.751 120.200 -0.014 0.000 2.299 53 E HA 0.275 4.624 4.350 -0.000 0.000 0.193 53 E C 0.707 177.298 176.600 -0.016 0.000 0.998 53 E CA 0.315 56.708 56.400 -0.011 0.000 0.851 53 E CB -0.037 29.660 29.700 -0.006 0.000 0.795 53 E HN 0.745 nan 8.360 nan 0.000 0.492 54 G N 1.278 110.063 108.800 -0.025 0.000 3.269 54 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.668 54 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.668 54 G C -0.719 174.170 174.900 -0.020 0.000 1.100 54 G CA -0.570 44.514 45.100 -0.026 0.000 0.940 54 G HN 0.042 nan 8.290 nan 0.000 0.438 55 L N 1.324 122.531 121.223 -0.026 0.000 2.342 55 L HA 0.685 5.024 4.340 -0.000 0.000 0.271 55 L C 0.693 177.563 176.870 0.001 0.000 1.008 55 L CA -1.476 53.357 54.840 -0.013 0.000 0.818 55 L CB 1.733 43.781 42.059 -0.018 0.000 1.296 55 L HN 0.762 nan 8.230 nan 0.000 0.427 56 E N 1.504 121.715 120.200 0.018 0.000 2.418 56 E HA 0.087 4.437 4.350 -0.000 0.000 0.261 56 E C -2.201 174.443 176.600 0.073 0.000 1.070 56 E CA -1.249 55.173 56.400 0.037 0.000 0.931 56 E CB -0.173 29.548 29.700 0.034 0.000 0.954 56 E HN 0.230 nan 8.360 nan 0.000 0.439 57 P HA -0.314 nan 4.420 nan 0.000 0.222 57 P C 1.325 178.819 177.300 0.324 0.000 1.159 57 P CA 2.606 65.858 63.100 0.254 0.000 0.920 57 P CB -0.120 31.701 31.700 0.202 0.000 0.793 58 G N -0.504 108.397 108.800 0.170 0.000 2.545 58 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.217 58 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.217 58 G C 1.613 176.602 174.900 0.147 0.000 1.218 58 G CA 1.200 46.381 45.100 0.136 0.000 0.787 58 G HN 0.316 nan 8.290 nan 0.000 0.571 59 E N -0.023 120.233 120.200 0.092 0.000 2.077 59 E HA -0.167 4.182 4.350 -0.000 0.000 0.193 59 E C 2.535 179.166 176.600 0.051 0.000 0.989 59 E CA 0.744 57.180 56.400 0.061 0.000 0.800 59 E CB -0.159 29.561 29.700 0.033 0.000 0.746 59 E HN 0.390 nan 8.360 nan 0.000 0.452 60 R N -0.597 119.925 120.500 0.038 0.000 2.117 60 R HA -0.182 4.158 4.340 -0.000 0.000 0.243 60 R C 1.901 178.088 176.300 -0.188 0.000 1.143 60 R CA 1.708 57.755 56.100 -0.089 0.000 0.968 60 R CB -0.213 29.998 30.300 -0.149 0.000 0.863 60 R HN 0.207 nan 8.270 nan 0.000 0.444 61 F N 0.196 120.145 119.950 -0.002 0.000 2.569 61 F HA 0.079 4.606 4.527 -0.000 0.000 0.295 61 F C 2.117 177.916 175.800 -0.001 0.000 1.115 61 F CA 0.580 58.578 58.000 -0.002 0.000 1.450 61 F CB 0.098 39.095 39.000 -0.006 0.000 1.107 61 F HN 0.049 nan 8.300 nan 0.000 0.563 62 E N 0.250 120.539 120.200 0.149 0.000 2.110 62 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 62 E C 2.064 178.694 176.600 0.051 0.000 0.988 62 E CA 0.895 57.347 56.400 0.087 0.000 0.804 62 E CB 0.045 29.783 29.700 0.062 0.000 0.745 62 E HN 0.186 nan 8.360 nan 0.000 0.458 63 K N 0.609 121.023 120.400 0.023 0.000 2.031 63 K HA -0.072 4.248 4.320 -0.000 0.000 0.205 63 K C 2.293 178.890 176.600 -0.006 0.000 1.049 63 K CA 0.673 56.960 56.287 -0.000 0.000 0.939 63 K CB -0.523 31.961 32.500 -0.026 0.000 0.717 63 K HN 0.163 nan 8.250 nan 0.000 0.438 64 L N 1.458 122.655 121.223 -0.043 0.000 1.971 64 L HA -0.267 4.073 4.340 -0.000 0.000 0.215 64 L C 2.040 178.929 176.870 0.032 0.000 1.072 64 L CA 1.568 56.380 54.840 -0.047 0.000 0.758 64 L CB -0.613 41.351 42.059 -0.159 0.000 0.889 64 L HN 0.143 nan 8.230 nan 0.000 0.433 65 D N -0.033 120.409 120.400 0.070 0.000 2.123 65 D HA -0.196 4.444 4.640 -0.000 0.000 0.196 65 D C 2.171 178.505 176.300 0.057 0.000 0.992 65 D CA 1.462 55.504 54.000 0.070 0.000 0.833 65 D CB -0.241 40.602 40.800 0.072 0.000 0.954 65 D HN 0.372 nan 8.370 nan 0.000 0.455 66 A N 0.856 123.706 122.820 0.050 0.000 1.873 66 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 66 A C 2.380 180.001 177.584 0.062 0.000 1.193 66 A CA 1.503 53.568 52.037 0.047 0.000 0.629 66 A CB -0.948 18.074 19.000 0.036 0.000 0.826 66 A HN 0.248 nan 8.150 nan 0.000 0.447 67 I N -0.900 119.706 120.570 0.060 0.000 2.151 67 I HA -0.330 3.840 4.170 -0.000 0.000 0.243 67 I C 2.722 178.910 176.117 0.119 0.000 1.080 67 I CA 2.060 63.405 61.300 0.075 0.000 1.339 67 I CB -0.432 37.603 38.000 0.058 0.000 1.039 67 I HN 0.457 nan 8.210 nan 0.000 0.409 68 R N 1.433 122.016 120.500 0.138 0.000 2.080 68 R HA -0.220 4.119 4.340 -0.000 0.000 0.236 68 R C 2.185 178.659 176.300 0.291 0.000 1.137 68 R CA 2.266 58.511 56.100 0.242 0.000 0.943 68 R CB -0.307 30.087 30.300 0.157 0.000 0.846 68 R HN 0.333 nan 8.270 nan 0.000 0.431 69 N N 0.771 119.563 118.700 0.152 0.000 2.091 69 N HA -0.216 4.523 4.740 -0.000 0.000 0.193 69 N C 1.851 177.459 175.510 0.162 0.000 1.021 69 N CA 1.841 54.969 53.050 0.130 0.000 0.862 69 N CB -0.325 38.203 38.487 0.068 0.000 1.018 69 N HN 0.380 nan 8.380 nan 0.000 0.429 70 I N 1.014 121.666 120.570 0.137 0.000 2.179 70 I HA -0.254 3.915 4.170 -0.000 0.000 0.242 70 I C 2.211 178.404 176.117 0.126 0.000 1.088 70 I CA 1.000 62.369 61.300 0.115 0.000 1.357 70 I CB -0.187 37.866 38.000 0.089 0.000 1.051 70 I HN 0.102 nan 8.210 nan 0.000 0.409 71 Q N 0.387 120.272 119.800 0.141 0.000 2.020 71 Q HA -0.181 4.159 4.340 -0.000 0.000 0.202 71 Q C 2.182 178.178 176.000 -0.006 0.000 0.982 71 Q CA 1.876 57.712 55.803 0.055 0.000 0.838 71 Q CB -0.737 28.007 28.738 0.011 0.000 0.899 71 Q HN 0.438 nan 8.270 nan 0.000 0.423 72 F N 0.957 120.929 119.950 0.037 0.000 2.234 72 F HA -0.066 4.461 4.527 -0.000 0.000 0.299 72 F C 2.339 178.148 175.800 0.014 0.000 1.087 72 F CA 0.827 58.841 58.000 0.023 0.000 1.340 72 F CB -0.645 38.363 39.000 0.014 0.000 1.031 72 F HN 0.060 nan 8.300 nan 0.000 0.500 73 A N -0.014 122.916 122.820 0.184 0.000 2.024 73 A HA -0.143 4.177 4.320 -0.000 0.000 0.220 73 A C 2.202 179.830 177.584 0.074 0.000 1.164 73 A CA 1.566 53.666 52.037 0.105 0.000 0.643 73 A CB -0.879 18.179 19.000 0.097 0.000 0.806 73 A HN 0.450 nan 8.150 nan 0.000 0.451 74 I N -1.248 119.377 120.570 0.091 0.000 2.628 74 I HA -0.084 4.086 4.170 -0.000 0.000 0.255 74 I C 2.239 178.401 176.117 0.075 0.000 1.119 74 I CA 0.353 61.738 61.300 0.141 0.000 1.448 74 I CB -0.214 37.876 38.000 0.150 0.000 1.133 74 I HN 0.248 nan 8.210 nan 0.000 0.438 75 L N 0.816 122.028 121.223 -0.017 0.000 1.989 75 L HA -0.251 4.089 4.340 -0.000 0.000 0.211 75 L C 2.471 179.306 176.870 -0.057 0.000 1.071 75 L CA 1.764 56.560 54.840 -0.073 0.000 0.749 75 L CB -0.671 41.246 42.059 -0.236 0.000 0.890 75 L HN 0.237 nan 8.230 nan 0.000 0.431 76 E N -0.363 119.816 120.200 -0.036 0.000 2.187 76 E HA -0.234 4.116 4.350 -0.000 0.000 0.199 76 E C 2.108 178.595 176.600 -0.188 0.000 1.004 76 E CA 0.856 57.218 56.400 -0.063 0.000 0.813 76 E CB -0.071 29.617 29.700 -0.020 0.000 0.736 76 E HN 0.351 nan 8.360 nan 0.000 0.468 77 R N 0.298 120.593 120.500 -0.343 0.000 2.275 77 R HA 0.105 4.445 4.340 -0.000 0.000 0.199 77 R C 0.794 176.783 176.300 -0.519 0.000 0.989 77 R CA 0.215 55.886 56.100 -0.715 0.000 1.016 77 R CB -0.265 28.997 30.300 -1.730 0.000 0.918 77 R HN 0.203 nan 8.270 nan 0.000 0.473 78 L N 0.873 121.984 121.223 -0.186 0.000 2.439 78 L HA 0.194 4.534 4.340 -0.000 0.000 0.269 78 L C 1.890 178.693 176.870 -0.111 0.000 1.179 78 L CA -0.090 54.745 54.840 -0.008 0.000 0.828 78 L CB 0.497 42.589 42.059 0.055 0.000 1.106 78 L HN -0.057 nan 8.230 nan 0.000 0.467 79 R N 1.126 121.551 120.500 -0.126 0.000 2.307 79 R HA -0.017 4.323 4.340 -0.000 0.000 0.199 79 R C -0.374 175.407 176.300 -0.866 0.000 1.000 79 R CA 0.838 56.668 56.100 -0.449 0.000 1.023 79 R CB 0.235 30.263 30.300 -0.452 0.000 0.908 79 R HN 0.612 nan 8.270 nan 0.000 0.473 80 Y N -2.031 118.268 120.300 -0.002 0.000 2.810 80 Y HA 0.295 4.845 4.550 -0.000 0.000 0.272 80 Y C -2.084 173.810 175.900 -0.011 0.000 0.938 80 Y CA -1.627 56.469 58.100 -0.006 0.000 1.129 80 Y CB 1.384 39.842 38.460 -0.004 0.000 1.192 80 Y HN 0.055 nan 8.280 nan 0.000 0.630 81 P HA -0.194 nan 4.420 nan 0.000 0.219 81 P C 1.036 178.349 177.300 0.022 0.000 1.144 81 P CA 1.533 64.643 63.100 0.015 0.000 0.806 81 P CB 0.349 32.041 31.700 -0.013 0.000 0.771 82 N N -0.360 118.372 118.700 0.053 0.000 2.002 82 N HA -0.168 4.572 4.740 -0.000 0.000 0.199 82 N C 1.833 177.358 175.510 0.023 0.000 1.060 82 N CA 1.504 54.582 53.050 0.046 0.000 0.867 82 N CB -1.395 37.131 38.487 0.065 0.000 1.069 82 N HN 0.020 nan 8.380 nan 0.000 0.430 83 V N 1.682 121.611 119.914 0.025 0.000 2.231 83 V HA -0.235 3.885 4.120 -0.000 0.000 0.248 83 V C 2.406 178.485 176.094 -0.025 0.000 1.054 83 V CA 1.779 64.078 62.300 -0.001 0.000 1.015 83 V CB -0.653 31.167 31.823 -0.005 0.000 0.638 83 V HN 0.266 nan 8.190 nan 0.000 0.444 84 I N 0.643 121.197 120.570 -0.028 0.000 2.091 84 I HA -0.292 3.878 4.170 -0.000 0.000 0.239 84 I C 2.633 178.697 176.117 -0.088 0.000 1.061 84 I CA 2.603 63.866 61.300 -0.062 0.000 1.317 84 I CB -0.905 37.065 38.000 -0.049 0.000 1.031 84 I HN 0.456 nan 8.210 nan 0.000 0.401 85 R N 0.282 120.726 120.500 -0.094 0.000 2.208 85 R HA -0.284 4.056 4.340 -0.000 0.000 0.262 85 R C 2.127 178.384 176.300 -0.073 0.000 1.166 85 R CA 2.138 58.159 56.100 -0.133 0.000 0.987 85 R CB -0.447 29.821 30.300 -0.054 0.000 0.887 85 R HN 0.518 nan 8.270 nan 0.000 0.459 86 E N 0.398 120.576 120.200 -0.037 0.000 2.012 86 E HA -0.215 4.135 4.350 -0.000 0.000 0.197 86 E C 1.926 178.504 176.600 -0.037 0.000 1.007 86 E CA 1.093 57.481 56.400 -0.020 0.000 0.816 86 E CB -0.321 29.367 29.700 -0.020 0.000 0.762 86 E HN 0.373 nan 8.360 nan 0.000 0.451 87 E N 0.475 120.633 120.200 -0.070 0.000 2.049 87 E HA -0.193 4.157 4.350 -0.000 0.000 0.198 87 E C 2.249 178.805 176.600 -0.074 0.000 1.007 87 E CA 0.881 57.225 56.400 -0.094 0.000 0.809 87 E CB -0.316 29.292 29.700 -0.154 0.000 0.749 87 E HN 0.158 nan 8.360 nan 0.000 0.450 88 I N 1.740 122.256 120.570 -0.090 0.000 2.127 88 I HA -0.252 3.918 4.170 -0.000 0.000 0.241 88 I C 2.328 178.441 176.117 -0.006 0.000 1.075 88 I CA 1.203 62.459 61.300 -0.073 0.000 1.334 88 I CB -0.579 37.317 38.000 -0.172 0.000 1.040 88 I HN 0.024 nan 8.210 nan 0.000 0.405 89 E N 0.329 120.535 120.200 0.009 0.000 2.086 89 E HA -0.282 4.068 4.350 -0.000 0.000 0.200 89 E C 2.364 179.005 176.600 0.068 0.000 1.012 89 E CA 1.103 57.558 56.400 0.090 0.000 0.812 89 E CB -0.463 29.297 29.700 0.101 0.000 0.743 89 E HN 0.361 nan 8.360 nan 0.000 0.453 90 R N 0.918 121.439 120.500 0.036 0.000 2.080 90 R HA -0.115 4.225 4.340 -0.000 0.000 0.236 90 R C 2.617 178.952 176.300 0.058 0.000 1.137 90 R CA 1.079 57.200 56.100 0.034 0.000 0.943 90 R CB -0.726 29.578 30.300 0.006 0.000 0.846 90 R HN 0.207 nan 8.270 nan 0.000 0.431 91 L N 0.675 121.936 121.223 0.063 0.000 2.046 91 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 91 L C 2.654 179.607 176.870 0.138 0.000 1.077 91 L CA 1.146 56.070 54.840 0.141 0.000 0.747 91 L CB -0.471 41.663 42.059 0.125 0.000 0.896 91 L HN 0.192 nan 8.230 nan 0.000 0.432 92 L N -0.541 120.743 121.223 0.101 0.000 2.079 92 L HA -0.233 4.107 4.340 -0.000 0.000 0.210 92 L C 2.598 179.500 176.870 0.055 0.000 1.081 92 L CA 1.344 56.237 54.840 0.088 0.000 0.752 92 L CB -0.447 41.692 42.059 0.133 0.000 0.896 92 L HN 0.308 nan 8.230 nan 0.000 0.433 93 E N -0.268 119.969 120.200 0.061 0.000 2.047 93 E HA -0.239 4.110 4.350 -0.000 0.000 0.191 93 E C 1.921 178.530 176.600 0.014 0.000 0.987 93 E CA 1.138 57.565 56.400 0.044 0.000 0.799 93 E CB -0.216 29.515 29.700 0.051 0.000 0.752 93 E HN 0.477 nan 8.360 nan 0.000 0.449 94 N N 0.898 119.612 118.700 0.022 0.000 2.061 94 N HA -0.209 4.531 4.740 -0.000 0.000 0.193 94 N C 2.016 177.464 175.510 -0.102 0.000 1.030 94 N CA 1.086 54.135 53.050 -0.002 0.000 0.856 94 N CB -0.075 38.462 38.487 0.083 0.000 1.023 94 N HN 0.096 nan 8.380 nan 0.000 0.424 95 I N 0.656 121.133 120.570 -0.155 0.000 2.208 95 I HA -0.260 3.909 4.170 -0.000 0.000 0.245 95 I C 2.159 178.182 176.117 -0.157 0.000 1.097 95 I CA 1.206 62.371 61.300 -0.226 0.000 1.363 95 I CB -0.656 37.242 38.000 -0.170 0.000 1.051 95 I HN 0.202 nan 8.210 nan 0.000 0.413 96 T N 0.507 114.994 114.554 -0.113 0.000 2.720 96 T HA -0.151 4.199 4.350 -0.000 0.000 0.268 96 T C 1.981 176.610 174.700 -0.118 0.000 1.037 96 T CA 1.376 63.392 62.100 -0.141 0.000 1.144 96 T CB -0.344 68.486 68.868 -0.063 0.000 0.864 96 T HN 0.124 nan 8.240 nan 0.000 0.444 97 V N 1.342 121.214 119.914 -0.070 0.000 2.270 97 V HA -0.080 4.039 4.120 -0.000 0.000 0.245 97 V C 2.516 178.570 176.094 -0.067 0.000 1.043 97 V CA 1.401 63.672 62.300 -0.048 0.000 1.014 97 V CB -0.685 31.123 31.823 -0.024 0.000 0.645 97 V HN 0.429 nan 8.190 nan 0.000 0.447 98 L N 0.275 121.446 121.223 -0.087 0.000 2.043 98 L HA -0.233 4.107 4.340 -0.000 0.000 0.212 98 L C 2.739 179.553 176.870 -0.094 0.000 1.075 98 L CA 1.762 56.547 54.840 -0.091 0.000 0.752 98 L CB -0.917 41.066 42.059 -0.126 0.000 0.891 98 L HN 0.387 nan 8.230 nan 0.000 0.432 99 A N -0.074 122.673 122.820 -0.122 0.000 1.908 99 A HA -0.282 4.037 4.320 -0.000 0.000 0.218 99 A C 2.276 179.794 177.584 -0.110 0.000 1.181 99 A CA 1.989 53.949 52.037 -0.129 0.000 0.627 99 A CB -0.564 18.323 19.000 -0.188 0.000 0.818 99 A HN 0.527 nan 8.150 nan 0.000 0.445 100 E N -0.059 120.080 120.200 -0.101 0.000 2.058 100 E HA -0.136 4.214 4.350 -0.000 0.000 0.194 100 E C 2.122 178.699 176.600 -0.039 0.000 0.997 100 E CA 1.260 57.626 56.400 -0.057 0.000 0.801 100 E CB -0.329 29.356 29.700 -0.025 0.000 0.746 100 E HN 0.519 nan 8.360 nan 0.000 0.450 101 A N 1.456 124.250 122.820 -0.042 0.000 1.865 101 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 101 A C 2.528 180.090 177.584 -0.037 0.000 1.191 101 A CA 2.315 54.331 52.037 -0.035 0.000 0.623 101 A CB -1.265 17.712 19.000 -0.039 0.000 0.826 101 A HN 0.469 nan 8.150 nan 0.000 0.444 102 A N -0.097 122.695 122.820 -0.047 0.000 1.927 102 A HA -0.022 4.298 4.320 -0.000 0.000 0.220 102 A C 2.482 180.046 177.584 -0.032 0.000 1.185 102 A CA 2.702 54.714 52.037 -0.042 0.000 0.639 102 A CB -1.225 17.746 19.000 -0.048 0.000 0.820 102 A HN 1.373 nan 8.150 nan 0.000 0.451 103 A N -1.215 121.586 122.820 -0.033 0.000 2.139 103 A HA 0.035 4.355 4.320 -0.000 0.000 0.221 103 A C 1.997 179.573 177.584 -0.013 0.000 1.159 103 A CA 1.654 53.679 52.037 -0.021 0.000 0.662 103 A CB -0.426 18.564 19.000 -0.016 0.000 0.796 103 A HN 0.540 nan 8.150 nan 0.000 0.463 104 L N -2.833 118.380 121.223 -0.016 0.000 2.526 104 L HA 0.416 4.755 4.340 -0.000 0.000 0.210 104 L C 0.898 177.759 176.870 -0.016 0.000 1.048 104 L CA 0.524 55.356 54.840 -0.013 0.000 0.852 104 L CB 0.068 42.120 42.059 -0.011 0.000 1.128 104 L HN 0.274 nan 8.230 nan 0.000 0.482 105 A N 0.448 123.255 122.820 -0.022 0.000 2.408 105 A HA 0.644 4.964 4.320 -0.000 0.000 0.295 105 A C -0.422 177.143 177.584 -0.032 0.000 1.040 105 A CA -0.326 51.696 52.037 -0.025 0.000 0.707 105 A CB 1.013 19.997 19.000 -0.027 0.000 1.235 105 A HN 0.126 nan 8.150 nan 0.000 0.418 106 T N -0.677 113.859 114.554 -0.030 0.000 2.924 106 T HA 0.924 5.273 4.350 -0.000 0.000 0.291 106 T C -0.192 174.485 174.700 -0.039 0.000 1.045 106 T CA -0.122 61.958 62.100 -0.033 0.000 1.015 106 T CB 1.575 70.429 68.868 -0.023 0.000 1.103 106 T HN 2.180 nan 8.240 nan 0.000 0.496 107 S N 0.351 116.023 115.700 -0.047 0.000 2.597 107 S HA 0.490 4.960 4.470 -0.000 0.000 0.274 107 S C -2.615 171.950 174.600 -0.058 0.000 1.132 107 S CA -0.945 57.221 58.200 -0.056 0.000 0.835 107 S CB 1.177 64.321 63.200 -0.093 0.000 1.092 107 S HN 0.515 nan 8.310 nan 0.000 0.457 108 P HA -0.113 nan 4.420 nan 0.000 0.215 108 P C 1.620 178.888 177.300 -0.053 0.000 1.153 108 P CA 2.240 65.353 63.100 0.022 0.000 0.853 108 P CB -0.431 31.336 31.700 0.111 0.000 0.788 109 A N 0.116 122.746 122.820 -0.318 0.000 1.883 109 A HA -0.191 4.128 4.320 -0.000 0.000 0.217 109 A C 2.295 179.680 177.584 -0.332 0.000 1.186 109 A CA 1.916 53.498 52.037 -0.758 0.000 0.624 109 A CB -1.689 16.591 19.000 -1.199 0.000 0.822 109 A HN 0.213 nan 8.150 nan 0.000 0.444 110 L N -0.408 120.689 121.223 -0.210 0.000 2.141 110 L HA -0.062 4.278 4.340 -0.000 0.000 0.209 110 L C 2.404 179.243 176.870 -0.052 0.000 1.094 110 L CA 2.600 57.372 54.840 -0.113 0.000 0.763 110 L CB -0.998 41.006 42.059 -0.091 0.000 0.908 110 L HN 0.368 nan 8.230 nan 0.000 0.437 111 T N -0.425 114.109 114.554 -0.033 0.000 2.759 111 T HA -0.171 4.179 4.350 -0.000 0.000 0.269 111 T C 1.403 176.138 174.700 0.058 0.000 1.042 111 T CA 1.683 63.794 62.100 0.017 0.000 1.140 111 T CB -0.292 68.597 68.868 0.035 0.000 0.864 111 T HN 0.381 nan 8.240 nan 0.000 0.455 112 D N 0.620 121.056 120.400 0.060 0.000 2.097 112 D HA -0.052 4.588 4.640 -0.000 0.000 0.197 112 D C 2.344 178.703 176.300 0.099 0.000 0.984 112 D CA 0.704 54.758 54.000 0.089 0.000 0.826 112 D CB -0.233 40.648 40.800 0.134 0.000 0.973 112 D HN 0.189 nan 8.370 nan 0.000 0.460 113 E N 0.292 120.539 120.200 0.078 0.000 2.077 113 E HA -0.124 4.226 4.350 -0.000 0.000 0.193 113 E C 2.301 179.017 176.600 0.193 0.000 0.989 113 E CA 0.369 56.844 56.400 0.125 0.000 0.800 113 E CB -0.246 29.500 29.700 0.076 0.000 0.746 113 E HN 0.304 nan 8.360 nan 0.000 0.452 114 L N -0.144 121.128 121.223 0.082 0.000 1.948 114 L HA -0.206 4.134 4.340 -0.000 0.000 0.212 114 L C 2.615 179.562 176.870 0.129 0.000 1.074 114 L CA 0.993 55.843 54.840 0.017 0.000 0.753 114 L CB -0.524 41.519 42.059 -0.027 0.000 0.888 114 L HN -0.000 nan 8.230 nan 0.000 0.432 115 V N 0.235 120.237 119.914 0.146 0.000 2.278 115 V HA -0.378 3.742 4.120 -0.000 0.000 0.251 115 V C 2.696 178.955 176.094 0.276 0.000 1.062 115 V CA 2.176 64.601 62.300 0.209 0.000 1.038 115 V CB -0.912 31.073 31.823 0.270 0.000 0.646 115 V HN 0.730 nan 8.190 nan 0.000 0.447 116 S N -0.495 115.366 115.700 0.268 0.000 2.423 116 S HA -0.353 4.117 4.470 -0.000 0.000 0.238 116 S C 1.740 176.470 174.600 0.217 0.000 1.028 116 S CA 2.103 60.441 58.200 0.229 0.000 1.000 116 S CB -0.830 62.453 63.200 0.138 0.000 0.797 116 S HN 0.735 nan 8.310 nan 0.000 0.487 117 H N 1.931 121.070 119.070 0.115 0.000 2.422 117 H HA 0.111 4.666 4.556 -0.000 0.000 0.298 117 H C 2.457 177.853 175.328 0.113 0.000 1.098 117 H CA 1.052 57.161 56.048 0.103 0.000 1.315 117 H CB -1.078 28.726 29.762 0.070 0.000 1.382 117 H HN 0.530 nan 8.280 nan 0.000 0.523 118 G N 0.595 109.534 108.800 0.231 0.000 2.491 118 G HA2 -0.326 3.633 3.960 -0.000 0.000 0.218 118 G HA3 -0.326 3.633 3.960 -0.000 0.000 0.218 118 G C 1.571 176.564 174.900 0.156 0.000 1.180 118 G CA 1.202 46.402 45.100 0.166 0.000 0.774 118 G HN 0.362 nan 8.290 nan 0.000 0.562 119 E N 0.101 120.408 120.200 0.179 0.000 2.150 119 E HA 0.059 4.409 4.350 -0.000 0.000 0.193 119 E C 2.582 179.300 176.600 0.197 0.000 0.985 119 E CA 0.222 56.727 56.400 0.175 0.000 0.814 119 E CB -0.228 29.591 29.700 0.198 0.000 0.752 119 E HN 0.448 nan 8.360 nan 0.000 0.466 120 L N -0.354 120.985 121.223 0.193 0.000 2.056 120 L HA -0.167 4.173 4.340 -0.000 0.000 0.207 120 L C 2.277 179.284 176.870 0.228 0.000 1.078 120 L CA 1.086 56.086 54.840 0.265 0.000 0.749 120 L CB -0.312 41.821 42.059 0.124 0.000 0.901 120 L HN 0.230 nan 8.230 nan 0.000 0.433 121 M N -0.554 119.130 119.600 0.140 0.000 2.059 121 M HA -0.198 4.282 4.480 -0.000 0.000 0.259 121 M C 2.660 179.035 176.300 0.126 0.000 1.072 121 M CA 2.237 57.594 55.300 0.095 0.000 1.117 121 M CB -0.568 32.082 32.600 0.083 0.000 1.320 121 M HN 0.357 nan 8.290 nan 0.000 0.408 122 S N 0.089 115.873 115.700 0.140 0.000 2.370 122 S HA -0.184 4.286 4.470 -0.000 0.000 0.226 122 S C 1.960 176.688 174.600 0.214 0.000 1.033 122 S CA 1.921 60.207 58.200 0.142 0.000 1.011 122 S CB -1.569 61.691 63.200 0.099 0.000 0.852 122 S HN 0.628 nan 8.310 nan 0.000 0.457 123 T N 1.778 116.498 114.554 0.277 0.000 2.684 123 T HA -0.005 4.345 4.350 -0.000 0.000 0.267 123 T C 1.885 176.903 174.700 0.530 0.000 1.036 123 T CA 1.400 63.747 62.100 0.413 0.000 1.148 123 T CB -0.990 68.173 68.868 0.492 0.000 0.863 123 T HN 0.368 nan 8.240 nan 0.000 0.436 124 L N 0.466 121.923 121.223 0.391 0.000 1.989 124 L HA -0.044 4.296 4.340 -0.000 0.000 0.211 124 L C 2.909 179.843 176.870 0.107 0.000 1.071 124 L CA 1.400 56.271 54.840 0.053 0.000 0.749 124 L CB -0.693 41.248 42.059 -0.197 0.000 0.890 124 L HN 0.247 nan 8.230 nan 0.000 0.431 125 L N -1.548 119.749 121.223 0.122 0.000 2.012 125 L HA -0.267 4.073 4.340 -0.000 0.000 0.210 125 L C 2.577 179.546 176.870 0.165 0.000 1.073 125 L CA 1.286 56.195 54.840 0.114 0.000 0.748 125 L CB -0.604 41.522 42.059 0.113 0.000 0.891 125 L HN 0.153 nan 8.230 nan 0.000 0.431 126 F N 0.279 120.267 119.950 0.063 0.000 2.161 126 F HA -0.209 4.318 4.527 -0.000 0.000 0.300 126 F C 2.256 178.087 175.800 0.052 0.000 1.089 126 F CA 1.349 59.370 58.000 0.035 0.000 1.282 126 F CB -0.242 38.788 39.000 0.050 0.000 1.010 126 F HN -0.240 nan 8.300 nan 0.000 0.485 127 V N 0.006 120.030 119.914 0.182 0.000 2.490 127 V HA -0.233 3.887 4.120 -0.000 0.000 0.250 127 V C 2.335 178.428 176.094 -0.002 0.000 1.061 127 V CA 1.894 64.255 62.300 0.101 0.000 1.064 127 V CB -0.578 31.386 31.823 0.235 0.000 0.670 127 V HN 0.258 nan 8.190 nan 0.000 0.461 128 E N -0.088 120.117 120.200 0.008 0.000 2.072 128 E HA -0.147 4.202 4.350 -0.000 0.000 0.191 128 E C 2.174 178.750 176.600 -0.039 0.000 0.985 128 E CA 1.064 57.465 56.400 0.001 0.000 0.801 128 E CB -0.299 29.418 29.700 0.028 0.000 0.750 128 E HN 0.495 nan 8.360 nan 0.000 0.452 129 I N 1.189 121.694 120.570 -0.109 0.000 2.208 129 I HA -0.269 3.900 4.170 -0.000 0.000 0.245 129 I C 2.429 178.399 176.117 -0.244 0.000 1.097 129 I CA 1.023 62.203 61.300 -0.199 0.000 1.363 129 I CB -0.276 37.507 38.000 -0.362 0.000 1.051 129 I HN 0.032 nan 8.210 nan 0.000 0.413 130 L N -0.889 120.144 121.223 -0.316 0.000 2.056 130 L HA -0.185 4.154 4.340 -0.000 0.000 0.207 130 L C 2.665 179.462 176.870 -0.121 0.000 1.078 130 L CA 1.046 55.733 54.840 -0.254 0.000 0.749 130 L CB -0.479 41.410 42.059 -0.282 0.000 0.901 130 L HN 0.083 nan 8.230 nan 0.000 0.433 131 R N 0.461 120.915 120.500 -0.076 0.000 2.105 131 R HA -0.214 4.126 4.340 -0.000 0.000 0.239 131 R C 2.110 178.403 176.300 -0.012 0.000 1.135 131 R CA 1.342 57.425 56.100 -0.028 0.000 0.967 131 R CB -0.224 30.073 30.300 -0.006 0.000 0.861 131 R HN 0.298 nan 8.270 nan 0.000 0.442 132 E N -0.167 120.029 120.200 -0.006 0.000 2.472 132 E HA -0.140 4.209 4.350 -0.000 0.000 0.200 132 E C 0.636 177.243 176.600 0.013 0.000 1.046 132 E CA 0.592 57.013 56.400 0.036 0.000 0.871 132 E CB 0.187 29.923 29.700 0.059 0.000 0.806 132 E HN 0.225 nan 8.360 nan 0.000 0.533 133 R N 0.525 121.008 120.500 -0.029 0.000 2.546 133 R HA 0.042 4.382 4.340 -0.000 0.000 0.320 133 R C -0.660 175.625 176.300 -0.026 0.000 1.021 133 R CA 0.142 56.221 56.100 -0.035 0.000 1.088 133 R CB 0.540 30.795 30.300 -0.074 0.000 1.278 133 R HN 0.065 nan 8.270 nan 0.000 0.557 134 D N 0.412 120.804 120.400 -0.014 0.000 2.723 134 D HA -0.127 4.513 4.640 -0.000 0.000 0.236 134 D C -0.865 175.424 176.300 -0.019 0.000 1.138 134 D CA 0.856 54.849 54.000 -0.011 0.000 0.676 134 D CB -1.228 39.569 40.800 -0.006 0.000 1.069 134 D HN 0.001 nan 8.370 nan 0.000 0.430 135 V N 0.852 120.749 119.914 -0.028 0.000 2.409 135 V HA 0.212 4.332 4.120 -0.000 0.000 0.291 135 V C 0.556 176.639 176.094 -0.019 0.000 1.020 135 V CA -0.810 61.472 62.300 -0.030 0.000 0.848 135 V CB 2.108 33.898 31.823 -0.055 0.000 0.990 135 V HN 0.038 nan 8.190 nan 0.000 0.430 136 Q N 3.516 123.312 119.800 -0.006 0.000 2.296 136 Q HA 0.586 4.925 4.340 -0.000 0.000 0.263 136 Q C -0.407 175.602 176.000 0.016 0.000 1.026 136 Q CA 0.041 55.848 55.803 0.006 0.000 0.912 136 Q CB 1.274 30.018 28.738 0.009 0.000 1.198 136 Q HN 0.917 nan 8.270 nan 0.000 0.407 137 A N 5.036 127.874 122.820 0.028 0.000 2.488 137 A HA 0.477 4.797 4.320 -0.000 0.000 0.295 137 A C -0.975 176.664 177.584 0.091 0.000 1.045 137 A CA -0.785 51.283 52.037 0.052 0.000 0.703 137 A CB 1.353 20.376 19.000 0.037 0.000 1.271 137 A HN 0.755 nan 8.150 nan 0.000 0.400 138 Q N 1.094 120.964 119.800 0.118 0.000 2.297 138 Q HA 0.625 4.965 4.340 -0.000 0.000 0.269 138 Q C -1.013 175.141 176.000 0.257 0.000 1.051 138 Q CA -0.707 55.203 55.803 0.178 0.000 0.869 138 Q CB 1.812 30.646 28.738 0.160 0.000 1.346 138 Q HN 0.701 nan 8.270 nan 0.000 0.457 139 W N 1.525 122.896 121.300 0.119 0.000 2.381 139 W HA 0.599 5.259 4.660 -0.000 0.000 0.329 139 W C -1.680 174.965 176.519 0.210 0.000 1.157 139 W CA -0.613 56.816 57.345 0.141 0.000 1.240 139 W CB 1.085 30.596 29.460 0.085 0.000 1.199 139 W HN 0.576 nan 8.180 nan 0.000 0.579 140 F N 5.120 124.634 119.950 -0.726 0.000 2.608 140 F HA 0.201 4.728 4.527 -0.000 0.000 0.309 140 F C -0.790 174.404 175.800 -1.010 0.000 1.103 140 F CA -0.989 56.667 58.000 -0.574 0.000 0.954 140 F CB 1.396 40.216 39.000 -0.300 0.000 1.267 140 F HN 0.181 nan 8.300 nan 0.000 0.444 141 D N 4.831 124.572 120.400 -1.098 0.000 2.428 141 D HA 0.205 4.845 4.640 -0.000 0.000 0.221 141 D C 1.343 177.380 176.300 -0.438 0.000 1.123 141 D CA -0.038 53.526 54.000 -0.728 0.000 0.869 141 D CB 1.504 42.071 40.800 -0.388 0.000 1.032 141 D HN 0.478 nan 8.370 nan 0.000 0.506 142 V N 3.828 123.650 119.914 -0.154 0.000 2.439 142 V HA -0.303 3.817 4.120 -0.000 0.000 0.253 142 V C 2.176 178.253 176.094 -0.029 0.000 1.074 142 V CA 1.361 63.676 62.300 0.025 0.000 1.076 142 V CB -0.877 30.948 31.823 0.003 0.000 0.664 142 V HN 0.489 nan 8.190 nan 0.000 0.461 143 R N 0.459 120.908 120.500 -0.085 0.000 2.316 143 R HA -0.113 4.226 4.340 -0.000 0.000 0.232 143 R C 2.219 178.476 176.300 -0.071 0.000 1.137 143 R CA 1.235 57.295 56.100 -0.066 0.000 1.012 143 R CB -0.420 29.848 30.300 -0.054 0.000 0.859 143 R HN 0.588 nan 8.270 nan 0.000 0.474 144 K N -0.162 120.167 120.400 -0.119 0.000 2.366 144 K HA -0.007 4.313 4.320 -0.000 0.000 0.198 144 K C 1.260 177.859 176.600 -0.003 0.000 1.044 144 K CA 0.690 56.911 56.287 -0.109 0.000 0.973 144 K CB 0.580 32.914 32.500 -0.277 0.000 0.767 144 K HN 0.040 nan 8.250 nan 0.000 0.475 145 V N -0.482 119.455 119.914 0.037 0.000 3.431 145 V HA 0.079 4.199 4.120 -0.000 0.000 0.255 145 V C 0.238 176.331 176.094 -0.001 0.000 1.403 145 V CA -0.138 62.191 62.300 0.049 0.000 1.101 145 V CB 0.423 32.314 31.823 0.113 0.000 0.891 145 V HN 0.172 nan 8.190 nan 0.000 0.446 146 M N 2.692 122.283 119.600 -0.016 0.000 3.254 146 M HA 0.281 4.761 4.480 -0.000 0.000 0.257 146 M C 0.089 176.356 176.300 -0.055 0.000 1.490 146 M CA -0.074 55.197 55.300 -0.049 0.000 1.620 146 M CB -0.897 31.669 32.600 -0.057 0.000 1.157 146 M HN -0.025 nan 8.290 nan 0.000 0.541 147 R N 1.810 122.279 120.500 -0.052 0.000 2.316 147 R HA 0.421 4.761 4.340 -0.000 0.000 0.314 147 R C 0.169 176.429 176.300 -0.067 0.000 1.069 147 R CA 0.113 56.181 56.100 -0.052 0.000 0.959 147 R CB -0.056 30.220 30.300 -0.041 0.000 0.987 147 R HN 0.683 nan 8.270 nan 0.000 0.446 148 T N -0.810 113.696 114.554 -0.080 0.000 2.864 148 T HA 0.402 4.752 4.350 -0.000 0.000 0.289 148 T C 0.394 175.020 174.700 -0.124 0.000 1.082 148 T CA -1.047 60.995 62.100 -0.098 0.000 1.009 148 T CB 1.577 70.377 68.868 -0.113 0.000 1.234 148 T HN 0.488 nan 8.240 nan 0.000 0.526 149 N N 0.347 118.961 118.700 -0.143 0.000 2.381 149 N HA 0.158 4.898 4.740 -0.000 0.000 0.289 149 N C -0.289 175.029 175.510 -0.321 0.000 1.288 149 N CA -0.258 52.691 53.050 -0.169 0.000 0.960 149 N CB -0.127 38.282 38.487 -0.130 0.000 1.116 149 N HN 0.831 nan 8.380 nan 0.000 0.557 150 D N -2.413 117.768 120.400 -0.365 0.000 2.587 150 D HA 0.034 4.674 4.640 -0.000 0.000 0.233 150 D C -0.016 175.835 176.300 -0.748 0.000 1.213 150 D CA -0.261 53.285 54.000 -0.756 0.000 0.827 150 D CB -0.420 40.168 40.800 -0.354 0.000 1.006 150 D HN 0.438 nan 8.370 nan 0.000 0.490 151 R N 1.145 121.368 120.500 -0.461 0.000 3.266 151 R HA 0.169 4.508 4.340 -0.000 0.000 0.224 151 R C -0.606 175.562 176.300 -0.219 0.000 1.525 151 R CA -0.611 55.355 56.100 -0.224 0.000 1.364 151 R CB -0.708 29.519 30.300 -0.121 0.000 1.276 151 R HN -0.023 nan 8.270 nan 0.000 0.660 152 F N 1.543 121.486 119.950 -0.012 0.000 2.602 152 F HA 0.062 4.589 4.527 -0.000 0.000 0.385 152 F C 1.824 177.618 175.800 -0.010 0.000 1.063 152 F CA 1.736 59.726 58.000 -0.017 0.000 1.233 152 F CB 0.827 39.820 39.000 -0.011 0.000 1.067 152 F HN 0.725 nan 8.300 nan 0.000 0.564 153 G N 2.638 111.516 108.800 0.129 0.000 2.313 153 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.215 153 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.215 153 G C 0.649 175.579 174.900 0.049 0.000 1.023 153 G CA -0.484 44.672 45.100 0.094 0.000 0.626 153 G HN 0.523 nan 8.290 nan 0.000 0.503 154 R N 0.640 121.146 120.500 0.010 0.000 2.648 154 R HA 0.565 4.905 4.340 -0.000 0.000 0.341 154 R C 0.512 176.787 176.300 -0.040 0.000 1.154 154 R CA 0.342 56.436 56.100 -0.009 0.000 1.228 154 R CB 0.809 31.104 30.300 -0.009 0.000 1.311 154 R HN 0.749 nan 8.270 nan 0.000 0.659 155 A N 1.392 124.168 122.820 -0.074 0.000 2.540 155 A HA 0.026 4.346 4.320 -0.000 0.000 0.239 155 A C 0.318 177.882 177.584 -0.033 0.000 1.061 155 A CA 0.188 52.159 52.037 -0.110 0.000 0.758 155 A CB 0.213 19.118 19.000 -0.159 0.000 0.991 155 A HN 0.310 nan 8.150 nan 0.000 0.502 156 E N 3.736 123.910 120.200 -0.043 0.000 2.130 156 E HA 0.361 4.711 4.350 -0.000 0.000 0.284 156 E C -2.363 174.231 176.600 -0.009 0.000 1.018 156 E CA -2.328 54.076 56.400 0.007 0.000 0.817 156 E CB 0.706 30.398 29.700 -0.013 0.000 1.078 156 E HN 0.435 nan 8.360 nan 0.000 0.396 157 P HA 0.063 nan 4.420 nan 0.000 0.271 157 P C -0.616 176.653 177.300 -0.051 0.000 1.216 157 P CA -0.239 62.829 63.100 -0.054 0.000 0.771 157 P CB 0.817 32.435 31.700 -0.136 0.000 0.864 158 D N 3.404 123.769 120.400 -0.059 0.000 2.441 158 D HA 0.079 4.719 4.640 -0.000 0.000 0.221 158 D C 1.168 177.435 176.300 -0.055 0.000 1.156 158 D CA -0.479 53.492 54.000 -0.048 0.000 0.896 158 D CB -0.146 40.627 40.800 -0.044 0.000 1.028 158 D HN -0.015 nan 8.370 nan 0.000 0.509 159 I N 3.728 124.264 120.570 -0.056 0.000 2.087 159 I HA -0.306 3.864 4.170 -0.000 0.000 0.240 159 I C 2.461 178.546 176.117 -0.053 0.000 1.054 159 I CA 1.760 63.021 61.300 -0.065 0.000 1.311 159 I CB -0.958 37.006 38.000 -0.060 0.000 1.024 159 I HN 0.546 nan 8.210 nan 0.000 0.402 160 A N 0.266 123.063 122.820 -0.038 0.000 1.869 160 A HA -0.283 4.037 4.320 -0.000 0.000 0.218 160 A C 2.529 180.098 177.584 -0.026 0.000 1.203 160 A CA 3.026 55.046 52.037 -0.028 0.000 0.638 160 A CB -1.449 17.538 19.000 -0.021 0.000 0.831 160 A HN 0.481 nan 8.150 nan 0.000 0.450 161 A N -0.768 122.035 122.820 -0.028 0.000 1.873 161 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 161 A C 2.170 179.739 177.584 -0.025 0.000 1.193 161 A CA 2.033 54.055 52.037 -0.024 0.000 0.629 161 A CB -0.855 18.129 19.000 -0.027 0.000 0.826 161 A HN 0.843 nan 8.150 nan 0.000 0.447 162 L N -0.132 121.067 121.223 -0.039 0.000 1.997 162 L HA -0.212 4.128 4.340 -0.000 0.000 0.216 162 L C 2.747 179.595 176.870 -0.036 0.000 1.074 162 L CA 2.624 57.436 54.840 -0.046 0.000 0.763 162 L CB -1.035 40.979 42.059 -0.076 0.000 0.890 162 L HN 0.400 nan 8.230 nan 0.000 0.434 163 A N -1.140 121.656 122.820 -0.040 0.000 1.908 163 A HA -0.242 4.078 4.320 -0.000 0.000 0.218 163 A C 2.128 179.710 177.584 -0.004 0.000 1.181 163 A CA 1.953 53.974 52.037 -0.027 0.000 0.627 163 A CB -0.629 18.356 19.000 -0.025 0.000 0.818 163 A HN 0.670 nan 8.150 nan 0.000 0.445 164 E N -0.281 119.917 120.200 -0.004 0.000 2.006 164 E HA -0.121 4.229 4.350 -0.000 0.000 0.192 164 E C 2.016 178.621 176.600 0.008 0.000 0.993 164 E CA 1.141 57.543 56.400 0.003 0.000 0.808 164 E CB -0.355 29.345 29.700 0.000 0.000 0.764 164 E HN 0.580 nan 8.360 nan 0.000 0.449 165 L N 0.901 122.129 121.223 0.008 0.000 2.081 165 L HA -0.241 4.099 4.340 -0.000 0.000 0.212 165 L C 2.580 179.473 176.870 0.038 0.000 1.080 165 L CA 1.016 55.869 54.840 0.022 0.000 0.754 165 L CB -0.484 41.586 42.059 0.018 0.000 0.893 165 L HN 0.174 nan 8.230 nan 0.000 0.433 166 A N -0.151 122.681 122.820 0.020 0.000 1.902 166 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 166 A C 2.514 180.100 177.584 0.004 0.000 1.181 166 A CA 1.817 53.858 52.037 0.007 0.000 0.623 166 A CB -0.672 18.314 19.000 -0.024 0.000 0.818 166 A HN 0.423 nan 8.150 nan 0.000 0.443 167 A N -0.741 122.085 122.820 0.010 0.000 1.930 167 A HA 0.041 4.361 4.320 -0.000 0.000 0.217 167 A C 2.113 179.707 177.584 0.017 0.000 1.175 167 A CA 1.611 53.654 52.037 0.010 0.000 0.627 167 A CB -0.515 18.493 19.000 0.013 0.000 0.815 167 A HN 0.717 nan 8.150 nan 0.000 0.443 168 L N -0.748 120.492 121.223 0.027 0.000 2.156 168 L HA -0.098 4.241 4.340 -0.000 0.000 0.208 168 L C 2.102 179.008 176.870 0.060 0.000 1.095 168 L CA 2.263 57.125 54.840 0.035 0.000 0.770 168 L CB -0.189 41.888 42.059 0.031 0.000 0.914 168 L HN 0.545 nan 8.230 nan 0.000 0.439 169 Q N -2.098 117.760 119.800 0.097 0.000 2.384 169 Q HA 0.102 4.442 4.340 -0.000 0.000 0.264 169 Q C 1.892 178.035 176.000 0.238 0.000 0.825 169 Q CA -0.029 55.884 55.803 0.183 0.000 0.984 169 Q CB 0.119 28.989 28.738 0.220 0.000 1.183 169 Q HN 0.374 nan 8.270 nan 0.000 0.537 170 L N 1.168 122.443 121.223 0.087 0.000 2.084 170 L HA -0.001 4.339 4.340 -0.000 0.000 0.202 170 L C 2.190 178.928 176.870 -0.220 0.000 1.074 170 L CA 0.827 55.492 54.840 -0.291 0.000 0.757 170 L CB -0.241 41.590 42.059 -0.379 0.000 0.918 170 L HN 0.244 nan 8.230 nan 0.000 0.444 171 L N 1.386 122.544 121.223 -0.108 0.000 2.013 171 L HA -0.115 4.225 4.340 -0.000 0.000 0.212 171 L C -0.632 176.204 176.870 -0.056 0.000 1.073 171 L CA 2.140 56.933 54.840 -0.078 0.000 0.753 171 L CB -1.957 40.080 42.059 -0.038 0.000 0.890 171 L HN 0.076 nan 8.230 nan 0.000 0.432 172 P HA -0.168 nan 4.420 nan 0.000 0.216 172 P C 1.403 178.701 177.300 -0.002 0.000 1.153 172 P CA 1.462 64.562 63.100 0.000 0.000 0.858 172 P CB -0.111 31.606 31.700 0.028 0.000 0.789 173 R N -0.749 119.746 120.500 -0.009 0.000 2.092 173 R HA 0.026 4.366 4.340 -0.000 0.000 0.231 173 R C 2.343 178.612 176.300 -0.050 0.000 1.119 173 R CA 0.973 57.071 56.100 -0.003 0.000 0.970 173 R CB -1.587 28.731 30.300 0.030 0.000 0.864 173 R HN 0.317 nan 8.270 nan 0.000 0.440 174 L N 0.657 121.817 121.223 -0.105 0.000 2.131 174 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 174 L C 1.896 178.740 176.870 -0.043 0.000 1.092 174 L CA 1.270 56.057 54.840 -0.089 0.000 0.759 174 L CB -0.475 41.519 42.059 -0.109 0.000 0.903 174 L HN 0.309 nan 8.230 nan 0.000 0.435 175 N N -0.330 118.350 118.700 -0.033 0.000 2.244 175 N HA -0.177 4.562 4.740 -0.000 0.000 0.183 175 N C 1.537 177.043 175.510 -0.007 0.000 1.016 175 N CA 0.793 53.832 53.050 -0.017 0.000 0.866 175 N CB 0.066 38.545 38.487 -0.013 0.000 0.980 175 N HN 0.423 nan 8.380 nan 0.000 0.430 176 E N 0.016 120.216 120.200 -0.001 0.000 2.268 176 E HA 0.025 4.375 4.350 -0.000 0.000 0.195 176 E C 1.000 177.605 176.600 0.009 0.000 0.995 176 E CA 0.465 56.871 56.400 0.010 0.000 0.836 176 E CB 0.210 29.924 29.700 0.023 0.000 0.763 176 E HN 0.374 nan 8.360 nan 0.000 0.491 177 G N 0.353 109.154 108.800 0.002 0.000 2.334 177 G HA2 0.013 3.973 3.960 -0.000 0.000 0.249 177 G HA3 0.013 3.973 3.960 -0.000 0.000 0.249 177 G C -1.643 173.258 174.900 0.002 0.000 1.327 177 G CA -0.818 44.285 45.100 0.005 0.000 0.979 177 G HN 0.061 nan 8.290 nan 0.000 0.471 178 L N 0.516 121.747 121.223 0.014 0.000 2.490 178 L HA 0.587 4.927 4.340 -0.000 0.000 0.274 178 L C 0.074 176.961 176.870 0.027 0.000 1.201 178 L CA 0.100 54.953 54.840 0.023 0.000 0.869 178 L CB 1.002 43.084 42.059 0.038 0.000 1.123 178 L HN 0.581 nan 8.230 nan 0.000 0.484 179 V N 6.311 126.232 119.914 0.012 0.000 2.588 179 V HA 0.458 4.578 4.120 -0.000 0.000 0.304 179 V C -0.357 175.757 176.094 0.033 0.000 1.042 179 V CA -0.672 61.626 62.300 -0.003 0.000 0.877 179 V CB 1.766 33.508 31.823 -0.136 0.000 0.996 179 V HN 0.494 nan 8.190 nan 0.000 0.425 180 I N 3.671 124.288 120.570 0.078 0.000 2.355 180 I HA 0.568 4.737 4.170 -0.000 0.000 0.288 180 I C 0.164 176.268 176.117 -0.021 0.000 0.999 180 I CA 0.181 61.552 61.300 0.117 0.000 1.163 180 I CB 1.382 39.547 38.000 0.275 0.000 1.316 180 I HN 0.683 nan 8.210 nan 0.000 0.454 181 T N 4.905 119.436 114.554 -0.038 0.000 2.887 181 T HA 0.561 4.911 4.350 -0.000 0.000 0.292 181 T C -0.445 174.222 174.700 -0.055 0.000 1.087 181 T CA -0.427 61.598 62.100 -0.124 0.000 1.009 181 T CB 1.587 70.429 68.868 -0.043 0.000 1.203 181 T HN 0.457 nan 8.240 nan 0.000 0.518 182 Q N 0.208 119.968 119.800 -0.067 0.000 2.317 182 Q HA 0.670 5.009 4.340 -0.000 0.000 0.229 182 Q C 0.427 176.453 176.000 0.042 0.000 0.984 182 Q CA -0.403 55.413 55.803 0.022 0.000 0.911 182 Q CB 0.822 29.587 28.738 0.045 0.000 1.217 182 Q HN 0.829 nan 8.270 nan 0.000 0.501 183 G N -0.837 108.021 108.800 0.098 0.000 2.816 183 G HA2 0.490 4.450 3.960 -0.000 0.000 0.288 183 G HA3 0.490 4.450 3.960 -0.000 0.000 0.288 183 G C -0.721 174.325 174.900 0.244 0.000 1.334 183 G CA -0.606 44.569 45.100 0.124 0.000 0.978 183 G HN 0.657 nan 8.290 nan 0.000 0.493 184 F N -1.494 118.486 119.950 0.049 0.000 2.658 184 F HA -0.257 4.270 4.527 -0.000 0.000 0.528 184 F C 0.369 176.206 175.800 0.062 0.000 0.527 184 F CA 1.654 59.694 58.000 0.066 0.000 0.927 184 F CB -1.663 37.373 39.000 0.059 0.000 1.675 184 F HN 0.715 nan 8.300 nan 0.000 0.263 185 I N -0.383 120.124 120.570 -0.105 0.000 2.822 185 I HA 0.890 5.059 4.170 -0.000 0.000 0.312 185 I C 0.488 176.533 176.117 -0.120 0.000 1.011 185 I CA -0.064 61.113 61.300 -0.206 0.000 1.105 185 I CB 1.783 39.739 38.000 -0.073 0.000 1.291 185 I HN 0.324 nan 8.210 nan 0.000 0.474 186 G N 1.815 110.546 108.800 -0.115 0.000 2.606 186 G HA2 0.629 4.589 3.960 -0.000 0.000 0.300 186 G HA3 0.629 4.589 3.960 -0.000 0.000 0.300 186 G C -1.674 173.195 174.900 -0.050 0.000 1.360 186 G CA -0.310 44.743 45.100 -0.079 0.000 0.783 186 G HN 1.021 nan 8.290 nan 0.000 0.484 187 S N -0.832 114.843 115.700 -0.042 0.000 2.541 187 S HA 0.689 5.159 4.470 -0.000 0.000 0.280 187 S C -0.661 173.920 174.600 -0.031 0.000 1.112 187 S CA -0.641 57.551 58.200 -0.013 0.000 0.925 187 S CB 2.544 65.742 63.200 -0.004 0.000 1.067 187 S HN 0.953 nan 8.310 nan 0.000 0.479 188 E N 1.783 121.974 120.200 -0.016 0.000 2.314 188 E HA 0.206 4.555 4.350 -0.000 0.000 0.262 188 E C 0.697 177.290 176.600 -0.011 0.000 1.093 188 E CA -0.514 55.856 56.400 -0.049 0.000 0.908 188 E CB 0.899 30.543 29.700 -0.094 0.000 1.091 188 E HN 0.878 nan 8.360 nan 0.000 0.425 189 N N 1.472 120.159 118.700 -0.022 0.000 2.091 189 N HA -0.203 4.536 4.740 -0.000 0.000 0.193 189 N C 0.884 176.401 175.510 0.012 0.000 1.021 189 N CA 1.239 54.285 53.050 -0.007 0.000 0.862 189 N CB 0.023 38.503 38.487 -0.012 0.000 1.018 189 N HN 0.369 nan 8.380 nan 0.000 0.429 190 K N -0.289 120.129 120.400 0.030 0.000 2.591 190 K HA 0.060 4.379 4.320 -0.000 0.000 0.197 190 K C 0.954 177.585 176.600 0.051 0.000 1.026 190 K CA 0.430 56.743 56.287 0.044 0.000 1.127 190 K CB 0.180 32.717 32.500 0.061 0.000 0.871 190 K HN 0.458 nan 8.250 nan 0.000 0.507 191 G N 1.424 110.251 108.800 0.045 0.000 2.253 191 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.251 191 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.251 191 G C 0.112 175.053 174.900 0.068 0.000 0.998 191 G CA -0.061 45.066 45.100 0.044 0.000 0.621 191 G HN 0.268 nan 8.290 nan 0.000 0.524 192 R N 1.487 122.057 120.500 0.118 0.000 2.734 192 R HA 0.513 4.853 4.340 -0.000 0.000 0.266 192 R C 0.871 177.282 176.300 0.186 0.000 1.044 192 R CA 0.691 56.888 56.100 0.161 0.000 1.128 192 R CB 0.137 30.589 30.300 0.253 0.000 1.010 192 R HN 0.206 nan 8.270 nan 0.000 0.461 193 T N 1.740 116.385 114.554 0.152 0.000 2.913 193 T HA 0.385 4.734 4.350 -0.000 0.000 0.297 193 T C 0.161 174.986 174.700 0.207 0.000 1.029 193 T CA -0.142 62.031 62.100 0.122 0.000 1.104 193 T CB 0.764 69.683 68.868 0.086 0.000 0.964 193 T HN 0.745 nan 8.240 nan 0.000 0.532 194 T N -1.135 113.472 114.554 0.089 0.000 2.864 194 T HA 0.777 5.127 4.350 -0.000 0.000 0.299 194 T C -0.436 174.188 174.700 -0.127 0.000 1.166 194 T CA -0.985 61.145 62.100 0.051 0.000 1.007 194 T CB 1.882 70.696 68.868 -0.090 0.000 1.219 194 T HN 0.675 nan 8.240 nan 0.000 0.506 195 T N -0.947 113.482 114.554 -0.208 0.000 2.916 195 T HA 0.635 4.985 4.350 -0.000 0.000 0.292 195 T C 0.307 174.806 174.700 -0.335 0.000 1.064 195 T CA -1.131 60.636 62.100 -0.555 0.000 1.011 195 T CB 1.250 69.575 68.868 -0.904 0.000 1.152 195 T HN 0.576 nan 8.240 nan 0.000 0.510 196 L N 1.098 122.121 121.223 -0.334 0.000 2.769 196 L HA 0.506 4.845 4.340 -0.000 0.000 0.240 196 L C 1.383 178.326 176.870 0.122 0.000 1.163 196 L CA -0.145 54.705 54.840 0.018 0.000 0.962 196 L CB -0.696 41.496 42.059 0.222 0.000 1.258 196 L HN 1.266 nan 8.230 nan 0.000 0.513 197 G N 1.288 110.223 108.800 0.224 0.000 2.860 197 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.553 197 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.553 197 G C -0.127 174.915 174.900 0.237 0.000 1.439 197 G CA -0.467 44.772 45.100 0.231 0.000 0.879 197 G HN 0.440 nan 8.290 nan 0.000 0.545 198 R N 0.541 121.087 120.500 0.078 0.000 2.500 198 R HA 0.343 4.683 4.340 -0.000 0.000 0.281 198 R C 1.749 178.034 176.300 -0.025 0.000 0.953 198 R CA 2.110 58.203 56.100 -0.012 0.000 1.108 198 R CB -0.487 29.776 30.300 -0.061 0.000 0.901 198 R HN 2.607 nan 8.270 nan 0.000 0.410 199 G N 2.287 111.083 108.800 -0.007 0.000 2.195 199 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.246 199 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.246 199 G C 0.975 175.951 174.900 0.127 0.000 0.984 199 G CA 0.500 45.615 45.100 0.026 0.000 0.633 199 G HN 0.983 nan 8.290 nan 0.000 0.525 200 G N 0.904 109.848 108.800 0.240 0.000 2.703 200 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.222 200 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.222 200 G C 1.990 177.087 174.900 0.328 0.000 1.183 200 G CA 2.279 47.637 45.100 0.430 0.000 0.775 200 G HN 1.109 nan 8.290 nan 0.000 0.615 201 S N 0.653 116.494 115.700 0.236 0.000 2.370 201 S HA -0.114 4.356 4.470 -0.000 0.000 0.226 201 S C 2.032 176.698 174.600 0.110 0.000 1.033 201 S CA 1.528 59.819 58.200 0.152 0.000 1.011 201 S CB -0.339 62.916 63.200 0.093 0.000 0.852 201 S HN 0.500 nan 8.310 nan 0.000 0.457 202 D N 0.051 120.514 120.400 0.105 0.000 2.097 202 D HA -0.114 4.526 4.640 -0.000 0.000 0.195 202 D C 1.711 178.100 176.300 0.148 0.000 0.989 202 D CA 1.014 55.063 54.000 0.082 0.000 0.827 202 D CB -0.407 40.434 40.800 0.069 0.000 0.966 202 D HN 0.369 nan 8.370 nan 0.000 0.456 203 Y N 2.353 122.673 120.300 0.033 0.000 2.114 203 Y HA -0.251 4.299 4.550 -0.000 0.000 0.282 203 Y C 2.464 178.368 175.900 0.007 0.000 1.165 203 Y CA 1.421 59.537 58.100 0.026 0.000 1.148 203 Y CB -0.800 37.685 38.460 0.042 0.000 0.972 203 Y HN -0.092 nan 8.280 nan 0.000 0.504 204 T N 0.676 115.266 114.554 0.060 0.000 2.622 204 T HA -0.227 4.123 4.350 -0.000 0.000 0.266 204 T C 2.170 176.829 174.700 -0.069 0.000 1.047 204 T CA 1.939 64.001 62.100 -0.064 0.000 1.159 204 T CB -1.015 67.857 68.868 0.006 0.000 0.863 204 T HN 0.449 nan 8.240 nan 0.000 0.422 205 A N 1.454 124.260 122.820 -0.022 0.000 1.958 205 A HA -0.052 4.268 4.320 -0.000 0.000 0.221 205 A C 2.578 180.126 177.584 -0.060 0.000 1.178 205 A CA 2.226 54.239 52.037 -0.040 0.000 0.642 205 A CB -1.091 17.888 19.000 -0.035 0.000 0.816 205 A HN 0.561 nan 8.150 nan 0.000 0.453 206 A N -0.651 122.138 122.820 -0.052 0.000 1.874 206 A HA 0.117 4.437 4.320 -0.000 0.000 0.214 206 A C 2.155 179.664 177.584 -0.125 0.000 1.189 206 A CA 1.244 53.239 52.037 -0.069 0.000 0.615 206 A CB -0.556 18.435 19.000 -0.016 0.000 0.830 206 A HN 0.446 nan 8.150 nan 0.000 0.443 207 L N -0.855 120.252 121.223 -0.193 0.000 2.012 207 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 207 L C 2.471 179.239 176.870 -0.171 0.000 1.073 207 L CA 1.025 55.721 54.840 -0.240 0.000 0.748 207 L CB -0.598 41.241 42.059 -0.367 0.000 0.891 207 L HN 0.286 nan 8.230 nan 0.000 0.431 208 L N -0.308 120.830 121.223 -0.141 0.000 2.046 208 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 208 L C 2.737 179.542 176.870 -0.110 0.000 1.077 208 L CA 1.996 56.767 54.840 -0.115 0.000 0.747 208 L CB -1.197 40.803 42.059 -0.099 0.000 0.896 208 L HN 0.195 nan 8.230 nan 0.000 0.432 209 A N -0.811 121.946 122.820 -0.105 0.000 1.877 209 A HA -0.276 4.044 4.320 -0.000 0.000 0.216 209 A C 2.356 179.864 177.584 -0.128 0.000 1.186 209 A CA 1.870 53.849 52.037 -0.096 0.000 0.620 209 A CB -0.626 18.324 19.000 -0.084 0.000 0.822 209 A HN 0.516 nan 8.150 nan 0.000 0.443 210 E N -0.094 120.015 120.200 -0.152 0.000 2.077 210 E HA -0.125 4.225 4.350 -0.000 0.000 0.193 210 E C 2.042 178.486 176.600 -0.261 0.000 0.989 210 E CA 1.106 57.385 56.400 -0.202 0.000 0.800 210 E CB -0.282 29.313 29.700 -0.175 0.000 0.746 210 E HN 0.516 nan 8.360 nan 0.000 0.452 211 A N 0.644 123.354 122.820 -0.184 0.000 2.015 211 A HA -0.052 4.267 4.320 -0.000 0.000 0.219 211 A C 1.902 179.430 177.584 -0.093 0.000 1.163 211 A CA 0.894 52.844 52.037 -0.145 0.000 0.646 211 A CB -0.209 18.731 19.000 -0.100 0.000 0.806 211 A HN 0.327 nan 8.150 nan 0.000 0.448 212 L N -1.902 119.275 121.223 -0.077 0.000 2.769 212 L HA 0.222 4.561 4.340 -0.000 0.000 0.240 212 L C -0.109 176.834 176.870 0.121 0.000 1.163 212 L CA -0.432 54.426 54.840 0.031 0.000 0.962 212 L CB -0.421 41.625 42.059 -0.021 0.000 1.258 212 L HN 0.500 nan 8.230 nan 0.000 0.513 213 H N -0.264 118.775 119.070 -0.050 0.000 2.604 213 H HA -0.157 4.399 4.556 -0.000 0.000 0.321 213 H C 0.784 176.087 175.328 -0.042 0.000 1.132 213 H CA 0.346 56.367 56.048 -0.044 0.000 1.129 213 H CB -1.302 28.438 29.762 -0.038 0.000 1.526 213 H HN 0.499 nan 8.280 nan 0.000 0.415 214 A N 0.534 123.358 122.820 0.006 0.000 2.445 214 A HA 0.400 4.720 4.320 -0.000 0.000 0.242 214 A C 1.565 179.147 177.584 -0.003 0.000 1.075 214 A CA 0.123 52.158 52.037 -0.004 0.000 0.777 214 A CB 0.356 19.337 19.000 -0.031 0.000 1.013 214 A HN 0.677 nan 8.150 nan 0.000 0.493 215 S N 1.051 116.750 115.700 -0.001 0.000 2.436 215 S HA 0.122 4.592 4.470 -0.000 0.000 0.228 215 S C 0.800 175.393 174.600 -0.012 0.000 1.014 215 S CA 0.816 59.014 58.200 -0.003 0.000 0.950 215 S CB -0.064 63.134 63.200 -0.003 0.000 0.784 215 S HN 0.871 nan 8.310 nan 0.000 0.504 216 R N -1.011 119.480 120.500 -0.016 0.000 2.712 216 R HA 0.561 4.901 4.340 -0.000 0.000 0.272 216 R C -2.563 173.724 176.300 -0.022 0.000 1.032 216 R CA -0.568 55.521 56.100 -0.018 0.000 0.874 216 R CB 1.795 32.086 30.300 -0.014 0.000 1.256 216 R HN 0.115 nan 8.270 nan 0.000 0.468 217 V N 2.577 122.476 119.914 -0.025 0.000 2.569 217 V HA 0.454 4.574 4.120 -0.000 0.000 0.301 217 V C -1.700 174.362 176.094 -0.053 0.000 1.044 217 V CA -0.606 61.669 62.300 -0.041 0.000 0.874 217 V CB 1.914 33.705 31.823 -0.054 0.000 1.002 217 V HN 0.746 nan 8.190 nan 0.000 0.424 218 D N 7.095 127.446 120.400 -0.082 0.000 2.274 218 D HA 0.457 5.097 4.640 -0.000 0.000 0.239 218 D C -0.348 175.707 176.300 -0.409 0.000 1.104 218 D CA -0.059 53.820 54.000 -0.203 0.000 0.840 218 D CB 1.813 42.522 40.800 -0.151 0.000 1.100 218 D HN 0.346 nan 8.370 nan 0.000 0.477 219 I N 2.692 122.956 120.570 -0.511 0.000 2.354 219 I HA 0.197 4.366 4.170 -0.000 0.000 0.286 219 I C -0.455 175.284 176.117 -0.630 0.000 1.007 219 I CA -0.758 60.270 61.300 -0.453 0.000 1.167 219 I CB 0.444 38.276 38.000 -0.280 0.000 1.320 219 I HN 0.218 nan 8.210 nan 0.000 0.458 220 W N 6.656 127.807 121.300 -0.248 0.000 2.342 220 W HA 0.379 5.039 4.660 -0.000 0.000 0.310 220 W C 1.088 177.567 176.519 -0.067 0.000 1.128 220 W CA -0.232 57.029 57.345 -0.139 0.000 1.322 220 W CB 1.051 30.408 29.460 -0.171 0.000 1.251 220 W HN 0.537 nan 8.180 nan 0.000 0.439 221 T N -1.930 112.677 114.554 0.089 0.000 2.780 221 T HA 0.249 4.599 4.350 -0.000 0.000 0.263 221 T C 0.517 175.269 174.700 0.087 0.000 0.993 221 T CA -0.402 61.718 62.100 0.034 0.000 1.010 221 T CB 1.069 69.875 68.868 -0.104 0.000 1.642 221 T HN 0.340 nan 8.240 nan 0.000 0.587 222 D N 0.026 120.442 120.400 0.027 0.000 2.388 222 D HA 0.220 4.859 4.640 -0.000 0.000 0.221 222 D C 0.433 176.750 176.300 0.028 0.000 1.133 222 D CA -0.388 53.638 54.000 0.043 0.000 0.831 222 D CB -0.538 40.276 40.800 0.024 0.000 0.962 222 D HN 0.605 nan 8.370 nan 0.000 0.502 223 V N -3.213 116.702 119.914 0.001 0.000 2.709 223 V HA 0.492 4.612 4.120 -0.000 0.000 0.308 223 V C -2.244 173.839 176.094 -0.019 0.000 1.062 223 V CA -1.991 60.304 62.300 -0.007 0.000 0.901 223 V CB 2.354 34.141 31.823 -0.060 0.000 1.003 223 V HN -0.300 nan 8.190 nan 0.000 0.425 224 P HA 0.166 nan 4.420 nan 0.000 0.236 224 P C 0.742 177.950 177.300 -0.153 0.000 1.172 224 P CA 1.805 64.926 63.100 0.035 0.000 0.759 224 P CB -0.035 31.765 31.700 0.167 0.000 0.843 225 G N 0.566 109.216 108.800 -0.250 0.000 2.331 225 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.479 225 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.479 225 G C -0.982 173.669 174.900 -0.414 0.000 1.262 225 G CA -0.424 44.458 45.100 -0.364 0.000 1.029 225 G HN 0.294 nan 8.290 nan 0.000 0.487 226 I N -1.939 118.409 120.570 -0.371 0.000 2.437 226 I HA 0.827 4.997 4.170 -0.000 0.000 0.298 226 I C -0.550 175.301 176.117 -0.443 0.000 0.984 226 I CA -1.167 59.962 61.300 -0.284 0.000 1.214 226 I CB 1.426 39.379 38.000 -0.079 0.000 1.365 226 I HN 0.536 nan 8.210 nan 0.000 0.469 227 Y N 1.744 122.010 120.300 -0.057 0.000 2.587 227 Y HA 0.294 4.843 4.550 -0.000 0.000 0.337 227 Y C 1.867 177.686 175.900 -0.135 0.000 1.065 227 Y CA -0.420 57.631 58.100 -0.082 0.000 1.126 227 Y CB 2.028 40.440 38.460 -0.080 0.000 1.279 227 Y HN 0.752 nan 8.280 nan 0.000 0.489 228 T N -2.915 111.638 114.554 -0.001 0.000 2.822 228 T HA -0.046 4.304 4.350 -0.000 0.000 0.270 228 T C 0.378 174.938 174.700 -0.233 0.000 1.064 228 T CA 1.761 63.723 62.100 -0.231 0.000 1.131 228 T CB -0.373 68.338 68.868 -0.262 0.000 0.858 228 T HN 0.646 nan 8.240 nan 0.000 0.483 229 T N 0.413 114.858 114.554 -0.181 0.000 2.718 229 T HA 0.341 4.691 4.350 -0.000 0.000 0.306 229 T C -1.798 172.830 174.700 -0.120 0.000 1.485 229 T CA -1.012 60.975 62.100 -0.188 0.000 0.997 229 T CB 1.542 70.199 68.868 -0.351 0.000 1.504 229 T HN 0.156 nan 8.240 nan 0.000 0.497 230 D N 1.621 121.960 120.400 -0.101 0.000 2.389 230 D HA 0.210 4.850 4.640 -0.000 0.000 0.263 230 D C -1.577 174.647 176.300 -0.126 0.000 1.255 230 D CA -1.682 52.273 54.000 -0.075 0.000 0.914 230 D CB 1.068 41.833 40.800 -0.059 0.000 1.116 230 D HN -0.007 nan 8.370 nan 0.000 0.502 231 P HA -0.104 nan 4.420 nan 0.000 0.221 231 P C 0.925 178.144 177.300 -0.135 0.000 1.145 231 P CA 0.964 63.934 63.100 -0.216 0.000 0.795 231 P CB 0.185 31.677 31.700 -0.348 0.000 0.775 232 R N -1.152 119.290 120.500 -0.097 0.000 2.237 232 R HA -0.003 4.336 4.340 -0.000 0.000 0.219 232 R C 1.584 177.851 176.300 -0.056 0.000 1.080 232 R CA 0.759 56.820 56.100 -0.064 0.000 0.995 232 R CB -0.402 29.872 30.300 -0.045 0.000 0.875 232 R HN 0.189 nan 8.270 nan 0.000 0.462 233 V N -0.287 119.586 119.914 -0.069 0.000 2.690 233 V HA 0.030 4.150 4.120 -0.000 0.000 0.240 233 V C 0.649 176.710 176.094 -0.055 0.000 1.078 233 V CA 0.588 62.855 62.300 -0.055 0.000 1.102 233 V CB 1.206 32.995 31.823 -0.057 0.000 0.800 233 V HN 0.134 nan 8.190 nan 0.000 0.479 234 V N -0.214 119.643 119.914 -0.095 0.000 2.380 234 V HA 0.408 4.528 4.120 -0.000 0.000 0.272 234 V C 1.092 177.126 176.094 -0.099 0.000 1.011 234 V CA 0.175 62.427 62.300 -0.080 0.000 0.826 234 V CB 1.031 32.795 31.823 -0.099 0.000 1.040 234 V HN 0.393 nan 8.190 nan 0.000 0.441 235 S N 4.277 119.939 115.700 -0.064 0.000 2.423 235 S HA -0.189 4.280 4.470 -0.000 0.000 0.238 235 S C 1.828 176.394 174.600 -0.057 0.000 1.028 235 S CA 1.629 59.786 58.200 -0.073 0.000 1.000 235 S CB -0.432 62.742 63.200 -0.043 0.000 0.797 235 S HN 1.819 nan 8.310 nan 0.000 0.487 236 A N 1.568 124.387 122.820 -0.001 0.000 2.248 236 A HA 0.550 4.870 4.320 -0.000 0.000 0.210 236 A C 1.265 178.895 177.584 0.078 0.000 1.174 236 A CA 0.534 52.608 52.037 0.062 0.000 0.750 236 A CB -1.214 17.869 19.000 0.138 0.000 0.780 236 A HN 0.971 nan 8.150 nan 0.000 0.478 237 A N 0.942 123.727 122.820 -0.057 0.000 2.561 237 A HA 0.280 4.600 4.320 -0.000 0.000 0.251 237 A C 0.442 178.016 177.584 -0.016 0.000 1.062 237 A CA 0.296 52.262 52.037 -0.118 0.000 0.761 237 A CB -0.182 18.667 19.000 -0.251 0.000 0.986 237 A HN 0.559 nan 8.150 nan 0.000 0.510 238 K N 1.736 122.202 120.400 0.110 0.000 2.087 238 K HA 0.373 4.692 4.320 -0.000 0.000 0.255 238 K C 0.394 177.174 176.600 0.300 0.000 0.988 238 K CA -0.710 55.675 56.287 0.162 0.000 0.915 238 K CB 1.291 33.879 32.500 0.146 0.000 1.043 238 K HN 0.779 nan 8.250 nan 0.000 0.457 239 R N 2.326 123.026 120.500 0.333 0.000 2.390 239 R HA 0.201 4.541 4.340 -0.000 0.000 0.291 239 R C -0.625 175.703 176.300 0.046 0.000 1.070 239 R CA -0.361 55.880 56.100 0.235 0.000 1.014 239 R CB 0.376 30.775 30.300 0.166 0.000 1.007 239 R HN 0.553 nan 8.270 nan 0.000 0.466 240 I N 5.166 125.696 120.570 -0.066 0.000 2.337 240 I HA 0.004 4.173 4.170 -0.000 0.000 0.291 240 I C 0.662 176.746 176.117 -0.056 0.000 1.046 240 I CA -0.344 60.924 61.300 -0.053 0.000 1.324 240 I CB 1.388 39.338 38.000 -0.083 0.000 1.409 240 I HN 0.697 nan 8.210 nan 0.000 0.494 241 D N 4.496 124.891 120.400 -0.008 0.000 2.091 241 D HA -0.072 4.568 4.640 -0.000 0.000 0.199 241 D C 0.616 176.919 176.300 0.004 0.000 0.980 241 D CA 1.427 55.433 54.000 0.011 0.000 0.831 241 D CB 0.415 41.235 40.800 0.035 0.000 0.987 241 D HN 0.578 nan 8.370 nan 0.000 0.460 242 E N 0.074 120.273 120.200 -0.001 0.000 2.224 242 E HA 0.503 4.852 4.350 -0.000 0.000 0.265 242 E C -1.430 175.155 176.600 -0.025 0.000 0.878 242 E CA -0.434 55.962 56.400 -0.006 0.000 0.759 242 E CB 2.031 31.736 29.700 0.008 0.000 1.164 242 E HN -0.022 nan 8.360 nan 0.000 0.414 243 I N 2.781 123.322 120.570 -0.048 0.000 2.689 243 I HA 0.622 4.792 4.170 -0.000 0.000 0.299 243 I C -0.712 175.358 176.117 -0.078 0.000 1.059 243 I CA -0.681 60.573 61.300 -0.077 0.000 1.055 243 I CB 1.623 39.545 38.000 -0.131 0.000 1.243 243 I HN 0.692 nan 8.210 nan 0.000 0.425 244 A N 5.115 127.882 122.820 -0.089 0.000 2.371 244 A HA 0.187 4.506 4.320 -0.000 0.000 0.257 244 A C 0.403 177.923 177.584 -0.107 0.000 1.089 244 A CA -0.168 51.824 52.037 -0.075 0.000 0.794 244 A CB 0.139 19.085 19.000 -0.089 0.000 1.029 244 A HN 0.836 nan 8.150 nan 0.000 0.488 245 F N 2.685 122.514 119.950 -0.202 0.000 2.043 245 F HA -0.209 4.318 4.527 -0.000 0.000 0.297 245 F C 2.406 178.033 175.800 -0.289 0.000 1.121 245 F CA 2.429 60.293 58.000 -0.226 0.000 1.199 245 F CB -0.751 38.159 39.000 -0.150 0.000 0.968 245 F HN 0.590 nan 8.300 nan 0.000 0.478 246 A N -0.249 122.383 122.820 -0.315 0.000 1.997 246 A HA -0.278 4.042 4.320 -0.000 0.000 0.221 246 A C 2.123 179.288 177.584 -0.698 0.000 1.172 246 A CA 2.257 53.958 52.037 -0.560 0.000 0.645 246 A CB -0.911 17.730 19.000 -0.598 0.000 0.813 246 A HN 0.651 nan 8.150 nan 0.000 0.454 247 E N -0.710 119.134 120.200 -0.592 0.000 2.060 247 E HA 0.068 4.418 4.350 -0.000 0.000 0.189 247 E C 2.431 178.772 176.600 -0.432 0.000 0.974 247 E CA 0.641 56.785 56.400 -0.427 0.000 0.808 247 E CB -0.303 29.234 29.700 -0.272 0.000 0.768 247 E HN 0.588 nan 8.360 nan 0.000 0.453 248 A N 1.871 124.364 122.820 -0.546 0.000 1.917 248 A HA -0.237 4.083 4.320 -0.000 0.000 0.219 248 A C 2.437 179.515 177.584 -0.843 0.000 1.182 248 A CA 2.010 53.538 52.037 -0.849 0.000 0.633 248 A CB -0.854 17.521 19.000 -1.042 0.000 0.819 248 A HN 0.300 nan 8.150 nan 0.000 0.448 249 A N -0.738 121.625 122.820 -0.763 0.000 1.908 249 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 249 A C 1.803 179.167 177.584 -0.367 0.000 1.181 249 A CA 1.739 53.415 52.037 -0.603 0.000 0.627 249 A CB -0.383 18.186 19.000 -0.718 0.000 0.818 249 A HN 0.452 nan 8.150 nan 0.000 0.445 250 E N -0.468 119.541 120.200 -0.317 0.000 2.502 250 E HA 0.067 4.416 4.350 -0.000 0.000 0.194 250 E C 0.073 176.590 176.600 -0.139 0.000 1.062 250 E CA 0.076 56.370 56.400 -0.176 0.000 0.867 250 E CB -0.097 29.540 29.700 -0.106 0.000 0.888 250 E HN 0.582 nan 8.360 nan 0.000 0.510 251 M N 0.661 120.148 119.600 -0.189 0.000 2.264 251 M HA 0.167 4.647 4.480 -0.000 0.000 0.340 251 M C 1.257 177.551 176.300 -0.010 0.000 1.420 251 M CA -0.283 54.957 55.300 -0.100 0.000 1.254 251 M CB 1.112 33.628 32.600 -0.140 0.000 1.575 251 M HN -0.062 nan 8.290 nan 0.000 0.452 252 A N 3.011 125.819 122.820 -0.020 0.000 1.852 252 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 252 A C 1.953 179.543 177.584 0.010 0.000 1.215 252 A CA 2.804 54.833 52.037 -0.014 0.000 0.641 252 A CB -1.219 17.761 19.000 -0.033 0.000 0.838 252 A HN 0.814 nan 8.150 nan 0.000 0.450 253 T N -3.537 111.025 114.554 0.012 0.000 3.155 253 T HA -0.006 4.344 4.350 -0.000 0.000 0.264 253 T C 1.297 176.014 174.700 0.028 0.000 1.160 253 T CA 1.222 63.327 62.100 0.008 0.000 1.075 253 T CB -0.391 68.476 68.868 -0.002 0.000 0.921 253 T HN 0.387 nan 8.240 nan 0.000 0.533 254 F N 2.244 122.136 119.950 -0.097 0.000 2.104 254 F HA 0.330 4.857 4.527 -0.000 0.000 0.288 254 F C 2.483 178.216 175.800 -0.112 0.000 1.107 254 F CA 1.101 59.033 58.000 -0.113 0.000 1.208 254 F CB -0.726 38.191 39.000 -0.137 0.000 1.033 254 F HN 0.174 nan 8.300 nan 0.000 0.478 255 G N 0.164 109.048 108.800 0.140 0.000 2.446 255 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.217 255 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.217 255 G C 1.731 176.590 174.900 -0.068 0.000 1.168 255 G CA 1.037 46.130 45.100 -0.011 0.000 0.771 255 G HN 0.635 nan 8.290 nan 0.000 0.551 256 A N 0.992 123.785 122.820 -0.044 0.000 1.824 256 A HA -0.008 4.312 4.320 -0.000 0.000 0.215 256 A C 2.272 179.813 177.584 -0.072 0.000 1.209 256 A CA 2.027 54.039 52.037 -0.042 0.000 0.614 256 A CB -0.478 18.506 19.000 -0.027 0.000 0.852 256 A HN 0.338 nan 8.150 nan 0.000 0.447 257 K N -1.020 119.328 120.400 -0.086 0.000 2.288 257 K HA 0.112 4.431 4.320 -0.000 0.000 0.201 257 K C 0.538 177.035 176.600 -0.171 0.000 1.048 257 K CA 0.679 56.905 56.287 -0.101 0.000 0.956 257 K CB -0.099 32.355 32.500 -0.076 0.000 0.746 257 K HN 0.373 nan 8.250 nan 0.000 0.461 258 V N 0.861 120.600 119.914 -0.290 0.000 3.770 258 V HA 0.206 4.326 4.120 -0.000 0.000 0.288 258 V C -0.013 175.841 176.094 -0.401 0.000 1.291 258 V CA -1.123 60.898 62.300 -0.465 0.000 0.948 258 V CB 0.503 31.755 31.823 -0.952 0.000 1.269 258 V HN 0.019 nan 8.190 nan 0.000 0.469 259 L N -0.849 120.081 121.223 -0.487 0.000 2.468 259 L HA 0.546 4.885 4.340 -0.000 0.000 0.254 259 L C 0.037 176.845 176.870 -0.104 0.000 1.171 259 L CA -0.359 54.347 54.840 -0.223 0.000 0.809 259 L CB -0.724 41.247 42.059 -0.146 0.000 1.155 259 L HN 0.646 nan 8.230 nan 0.000 0.473 260 H N 1.823 120.876 119.070 -0.028 0.000 2.690 260 H HA 0.278 4.834 4.556 -0.000 0.000 0.314 260 H C -1.696 173.709 175.328 0.128 0.000 1.069 260 H CA -1.177 54.897 56.048 0.043 0.000 1.436 260 H CB 1.153 30.916 29.762 0.001 0.000 1.462 260 H HN 0.549 nan 8.280 nan 0.000 0.511 261 P HA -0.303 nan 4.420 nan 0.000 0.217 261 P C 1.049 178.567 177.300 0.364 0.000 1.151 261 P CA 1.966 65.141 63.100 0.125 0.000 0.849 261 P CB 0.088 31.646 31.700 -0.237 0.000 0.787 262 A N 0.459 123.554 122.820 0.459 0.000 1.940 262 A HA -0.181 4.139 4.320 -0.000 0.000 0.219 262 A C 2.382 180.088 177.584 0.203 0.000 1.176 262 A CA 2.787 55.028 52.037 0.339 0.000 0.631 262 A CB -2.006 17.131 19.000 0.228 0.000 0.814 262 A HN 0.427 nan 8.150 nan 0.000 0.446 263 T N -1.410 113.259 114.554 0.192 0.000 2.881 263 T HA -0.045 4.305 4.350 -0.000 0.000 0.270 263 T C 1.495 176.342 174.700 0.245 0.000 1.068 263 T CA 1.461 63.662 62.100 0.168 0.000 1.131 263 T CB -0.509 68.454 68.868 0.157 0.000 0.871 263 T HN 0.356 nan 8.240 nan 0.000 0.479 264 L N -0.136 121.202 121.223 0.192 0.000 2.591 264 L HA 0.290 4.630 4.340 -0.000 0.000 0.228 264 L C 2.261 179.060 176.870 -0.119 0.000 1.133 264 L CA -0.184 54.694 54.840 0.063 0.000 0.880 264 L CB -0.544 41.572 42.059 0.096 0.000 1.033 264 L HN 0.174 nan 8.230 nan 0.000 0.450 265 L N 1.882 123.065 121.223 -0.066 0.000 2.043 265 L HA -0.115 4.225 4.340 -0.000 0.000 0.212 265 L C -0.421 176.362 176.870 -0.146 0.000 1.075 265 L CA 2.263 56.992 54.840 -0.185 0.000 0.752 265 L CB -1.458 40.612 42.059 0.017 0.000 0.891 265 L HN 0.114 nan 8.230 nan 0.000 0.432 266 P HA -0.103 nan 4.420 nan 0.000 0.217 266 P C 1.557 178.780 177.300 -0.129 0.000 1.150 266 P CA 1.926 64.977 63.100 -0.081 0.000 0.832 266 P CB -0.144 31.504 31.700 -0.086 0.000 0.787 267 A N -0.134 122.604 122.820 -0.136 0.000 1.855 267 A HA -0.146 4.174 4.320 -0.000 0.000 0.215 267 A C 2.318 179.791 177.584 -0.184 0.000 1.191 267 A CA 2.252 54.202 52.037 -0.144 0.000 0.613 267 A CB -1.923 17.006 19.000 -0.118 0.000 0.829 267 A HN 0.142 nan 8.150 nan 0.000 0.442 268 V N 0.413 120.153 119.914 -0.290 0.000 2.287 268 V HA -0.333 3.787 4.120 -0.000 0.000 0.248 268 V C 2.406 178.357 176.094 -0.238 0.000 1.053 268 V CA 2.379 64.472 62.300 -0.344 0.000 1.027 268 V CB -1.397 29.983 31.823 -0.740 0.000 0.646 268 V HN 0.738 nan 8.190 nan 0.000 0.447 269 R N 1.042 121.409 120.500 -0.221 0.000 2.193 269 R HA -0.028 4.312 4.340 -0.000 0.000 0.229 269 R C 1.706 177.943 176.300 -0.106 0.000 1.110 269 R CA 1.754 57.773 56.100 -0.136 0.000 0.988 269 R CB -0.749 29.487 30.300 -0.107 0.000 0.871 269 R HN 0.530 nan 8.270 nan 0.000 0.458 270 S N 0.753 116.382 115.700 -0.119 0.000 2.575 270 S HA 0.100 4.569 4.470 -0.000 0.000 0.237 270 S C -0.902 173.646 174.600 -0.087 0.000 0.975 270 S CA -0.289 57.849 58.200 -0.105 0.000 0.960 270 S CB 0.308 63.425 63.200 -0.138 0.000 0.822 270 S HN 0.363 nan 8.310 nan 0.000 0.472 271 D N 1.581 121.929 120.400 -0.087 0.000 2.735 271 D HA -0.155 4.485 4.640 -0.000 0.000 0.235 271 D C -0.792 175.474 176.300 -0.058 0.000 1.175 271 D CA 0.650 54.611 54.000 -0.066 0.000 0.683 271 D CB -1.092 39.684 40.800 -0.041 0.000 1.008 271 D HN 0.440 nan 8.370 nan 0.000 0.416 272 I N 0.206 120.732 120.570 -0.074 0.000 2.420 272 I HA 0.278 4.448 4.170 -0.000 0.000 0.282 272 I C -2.123 173.960 176.117 -0.056 0.000 1.019 272 I CA -2.169 59.095 61.300 -0.060 0.000 1.130 272 I CB 1.606 39.564 38.000 -0.071 0.000 1.262 272 I HN -0.219 nan 8.210 nan 0.000 0.454 273 P HA -0.030 nan 4.420 nan 0.000 0.262 273 P C -0.608 176.685 177.300 -0.012 0.000 1.182 273 P CA 0.085 63.175 63.100 -0.018 0.000 0.761 273 P CB 0.477 32.178 31.700 0.001 0.000 0.795 274 V N 5.505 125.411 119.914 -0.013 0.000 2.311 274 V HA 0.260 4.379 4.120 -0.000 0.000 0.275 274 V C -0.144 175.943 176.094 -0.012 0.000 1.022 274 V CA -0.522 61.767 62.300 -0.019 0.000 0.830 274 V CB 0.215 32.022 31.823 -0.026 0.000 1.012 274 V HN 0.402 nan 8.190 nan 0.000 0.452 275 F N 6.504 126.356 119.950 -0.163 0.000 2.420 275 F HA 0.606 5.132 4.527 -0.000 0.000 0.352 275 F C -0.097 175.512 175.800 -0.318 0.000 1.108 275 F CA -0.309 57.563 58.000 -0.213 0.000 1.162 275 F CB 1.127 39.983 39.000 -0.239 0.000 1.118 275 F HN 0.267 nan 8.300 nan 0.000 0.510 276 V N 7.059 126.303 119.914 -1.117 0.000 2.334 276 V HA 0.712 4.832 4.120 -0.000 0.000 0.281 276 V C 0.387 175.691 176.094 -1.316 0.000 1.016 276 V CA -0.193 61.537 62.300 -0.950 0.000 0.832 276 V CB 0.438 31.980 31.823 -0.469 0.000 0.999 276 V HN 1.029 nan 8.190 nan 0.000 0.439 277 G N 2.503 110.604 108.800 -1.165 0.000 3.140 277 G HA2 0.634 4.593 3.960 -0.000 0.000 0.271 277 G HA3 0.634 4.593 3.960 -0.000 0.000 0.271 277 G C -0.997 173.889 174.900 -0.024 0.000 1.370 277 G CA -0.597 44.159 45.100 -0.573 0.000 1.014 277 G HN 0.613 nan 8.290 nan 0.000 0.541 278 S N -1.245 114.668 115.700 0.355 0.000 2.449 278 S HA 0.434 4.904 4.470 -0.000 0.000 0.310 278 S C 1.442 176.362 174.600 0.533 0.000 1.096 278 S CA 0.233 58.652 58.200 0.365 0.000 1.095 278 S CB 1.441 64.763 63.200 0.204 0.000 1.007 278 S HN 1.084 nan 8.310 nan 0.000 0.474 279 S N 4.325 120.295 115.700 0.449 0.000 2.428 279 S HA -0.104 4.366 4.470 -0.000 0.000 0.230 279 S C 1.357 176.023 174.600 0.109 0.000 1.014 279 S CA 0.831 59.187 58.200 0.260 0.000 0.957 279 S CB -0.535 62.854 63.200 0.316 0.000 0.784 279 S HN 0.869 nan 8.310 nan 0.000 0.499 280 K N 0.783 121.260 120.400 0.127 0.000 2.522 280 K HA 0.211 4.531 4.320 -0.000 0.000 0.194 280 K C -0.294 176.353 176.600 0.078 0.000 1.026 280 K CA 0.527 56.861 56.287 0.077 0.000 1.119 280 K CB -0.160 32.384 32.500 0.072 0.000 0.856 280 K HN 0.270 nan 8.250 nan 0.000 0.513 281 D N -0.500 119.963 120.400 0.104 0.000 3.204 281 D HA 0.108 4.747 4.640 -0.000 0.000 0.220 281 D C -2.442 173.957 176.300 0.164 0.000 1.451 281 D CA -0.804 53.261 54.000 0.109 0.000 1.183 281 D CB 0.818 41.686 40.800 0.114 0.000 1.348 281 D HN -0.139 nan 8.370 nan 0.000 0.664 282 P HA -0.081 nan 4.420 nan 0.000 0.220 282 P C 1.492 178.913 177.300 0.201 0.000 1.148 282 P CA 0.380 63.583 63.100 0.172 0.000 0.803 282 P CB 0.260 31.917 31.700 -0.072 0.000 0.782 283 R N 0.497 121.072 120.500 0.125 0.000 2.096 283 R HA -0.047 4.293 4.340 -0.000 0.000 0.235 283 R C 1.891 178.277 176.300 0.142 0.000 1.127 283 R CA 1.634 57.801 56.100 0.111 0.000 0.968 283 R CB -1.151 29.193 30.300 0.074 0.000 0.861 283 R HN 0.068 nan 8.270 nan 0.000 0.440 284 A N 0.365 123.282 122.820 0.162 0.000 2.194 284 A HA 0.026 4.346 4.320 -0.000 0.000 0.220 284 A C 1.078 178.782 177.584 0.200 0.000 1.162 284 A CA 1.441 53.583 52.037 0.174 0.000 0.674 284 A CB -0.745 18.363 19.000 0.181 0.000 0.789 284 A HN 0.660 nan 8.150 nan 0.000 0.470 285 G N -2.992 105.959 108.800 0.251 0.000 2.796 285 G HA2 0.339 4.299 3.960 -0.000 0.000 0.226 285 G HA3 0.339 4.299 3.960 -0.000 0.000 0.226 285 G C 0.394 175.510 174.900 0.360 0.000 1.381 285 G CA -0.182 45.102 45.100 0.306 0.000 0.867 285 G HN 1.780 nan 8.290 nan 0.000 0.552 286 G N -2.746 106.307 108.800 0.421 0.000 2.896 286 G HA2 0.867 4.827 3.960 -0.000 0.000 0.247 286 G HA3 0.867 4.827 3.960 -0.000 0.000 0.247 286 G C -0.835 173.981 174.900 -0.139 0.000 1.187 286 G CA 0.850 45.901 45.100 -0.082 0.000 0.837 286 G HN 1.475 nan 8.290 nan 0.000 0.559 287 T N 0.616 114.909 114.554 -0.436 0.000 2.886 287 T HA 0.572 4.922 4.350 -0.000 0.000 0.292 287 T C -0.755 173.835 174.700 -0.184 0.000 1.012 287 T CA -0.266 61.704 62.100 -0.218 0.000 0.982 287 T CB 1.614 70.359 68.868 -0.206 0.000 1.018 287 T HN 0.346 nan 8.240 nan 0.000 0.451 288 L N 2.964 124.173 121.223 -0.024 0.000 2.264 288 L HA 0.508 4.847 4.340 -0.000 0.000 0.289 288 L C -0.387 176.472 176.870 -0.018 0.000 1.044 288 L CA -0.935 53.914 54.840 0.015 0.000 0.807 288 L CB 1.317 43.417 42.059 0.068 0.000 1.192 288 L HN 0.378 nan 8.230 nan 0.000 0.425 289 V N 3.197 123.101 119.914 -0.017 0.000 2.353 289 V HA 0.213 4.333 4.120 -0.000 0.000 0.264 289 V C 0.135 176.229 176.094 -0.000 0.000 1.049 289 V CA -0.393 61.903 62.300 -0.006 0.000 0.896 289 V CB 0.737 32.584 31.823 0.040 0.000 1.025 289 V HN 0.814 nan 8.190 nan 0.000 0.475 290 C N 3.366 122.664 119.300 -0.003 0.000 2.486 290 C HA 0.304 4.764 4.460 -0.000 0.000 0.348 290 C C 2.132 177.121 174.990 -0.002 0.000 1.203 290 C CA -0.603 58.408 59.018 -0.012 0.000 1.911 290 C CB 1.191 28.926 27.740 -0.009 0.000 2.340 290 C HN 0.958 nan 8.230 nan 0.000 0.511 291 N N 0.070 118.753 118.700 -0.029 0.000 2.084 291 N HA -0.082 4.658 4.740 -0.000 0.000 0.190 291 N C -0.130 175.387 175.510 0.012 0.000 1.030 291 N CA 1.298 54.335 53.050 -0.021 0.000 0.849 291 N CB 0.118 38.575 38.487 -0.048 0.000 1.012 291 N HN 0.521 nan 8.380 nan 0.000 0.423 292 K N -0.471 119.930 120.400 0.002 0.000 2.508 292 K HA 0.299 4.619 4.320 -0.000 0.000 0.260 292 K C -1.331 175.271 176.600 0.004 0.000 0.949 292 K CA -0.656 55.635 56.287 0.007 0.000 0.834 292 K CB 2.252 34.758 32.500 0.010 0.000 1.365 292 K HN 0.015 nan 8.250 nan 0.000 0.437 293 T N -1.807 112.751 114.554 0.006 0.000 2.887 293 T HA 0.338 4.688 4.350 -0.000 0.000 0.288 293 T C 0.906 175.613 174.700 0.012 0.000 1.021 293 T CA -0.808 61.296 62.100 0.007 0.000 1.000 293 T CB 1.947 70.819 68.868 0.006 0.000 1.034 293 T HN 0.554 nan 8.240 nan 0.000 0.467 294 E N 2.141 122.348 120.200 0.012 0.000 2.081 294 E HA -0.252 4.098 4.350 -0.000 0.000 0.235 294 E C 0.116 176.724 176.600 0.014 0.000 1.043 294 E CA 1.903 58.311 56.400 0.013 0.000 0.924 294 E CB -0.082 29.627 29.700 0.014 0.000 0.821 294 E HN 0.718 nan 8.360 nan 0.000 0.517 295 N N 1.184 119.895 118.700 0.017 0.000 2.696 295 N HA 0.238 4.977 4.740 -0.000 0.000 0.246 295 N C -2.590 172.933 175.510 0.022 0.000 1.057 295 N CA -1.042 52.018 53.050 0.016 0.000 0.867 295 N CB 1.553 40.049 38.487 0.015 0.000 1.141 295 N HN 0.233 nan 8.380 nan 0.000 0.517 296 P HA 0.145 nan 4.420 nan 0.000 0.267 296 P C -2.426 174.889 177.300 0.024 0.000 1.209 296 P CA -0.585 62.533 63.100 0.029 0.000 0.763 296 P CB 0.284 32.006 31.700 0.035 0.000 0.816 297 P HA 0.033 nan 4.420 nan 0.000 0.274 297 P C 0.878 178.167 177.300 -0.018 0.000 1.231 297 P CA -0.538 62.590 63.100 0.047 0.000 0.790 297 P CB 0.996 32.775 31.700 0.133 0.000 0.951 298 L N 1.640 122.793 121.223 -0.118 0.000 2.083 298 L HA 0.062 4.402 4.340 -0.000 0.000 0.209 298 L C 0.350 176.855 176.870 -0.609 0.000 1.083 298 L CA 1.663 56.258 54.840 -0.409 0.000 0.752 298 L CB -0.720 41.013 42.059 -0.544 0.000 0.899 298 L HN 0.279 nan 8.230 nan 0.000 0.433 299 F N -1.719 118.295 119.950 0.107 0.000 2.539 299 F HA 0.424 4.951 4.527 -0.000 0.000 0.318 299 F C 1.158 177.200 175.800 0.403 0.000 1.135 299 F CA -0.679 57.452 58.000 0.217 0.000 0.915 299 F CB 1.462 40.526 39.000 0.106 0.000 1.176 299 F HN -0.329 nan 8.300 nan 0.000 0.440 300 R N 1.882 122.673 120.500 0.485 0.000 2.316 300 R HA 0.710 5.049 4.340 -0.000 0.000 0.201 300 R C -0.557 175.789 176.300 0.077 0.000 0.888 300 R CA 0.431 56.700 56.100 0.281 0.000 1.041 300 R CB 0.751 31.125 30.300 0.124 0.000 1.115 300 R HN 0.761 nan 8.270 nan 0.000 0.559 301 A N 0.026 122.932 122.820 0.143 0.000 2.569 301 A HA 0.381 4.700 4.320 -0.000 0.000 0.292 301 A C -2.010 175.625 177.584 0.085 0.000 1.032 301 A CA -0.777 51.207 52.037 -0.088 0.000 0.669 301 A CB 0.694 19.633 19.000 -0.101 0.000 1.290 301 A HN 0.094 nan 8.150 nan 0.000 0.422 302 L N 1.145 122.386 121.223 0.031 0.000 2.313 302 L HA 0.750 5.090 4.340 -0.000 0.000 0.283 302 L C 0.469 177.327 176.870 -0.021 0.000 1.013 302 L CA -0.616 54.259 54.840 0.058 0.000 0.816 302 L CB 1.857 43.979 42.059 0.105 0.000 1.236 302 L HN 0.995 nan 8.230 nan 0.000 0.419 303 A N 3.735 126.530 122.820 -0.042 0.000 2.325 303 A HA 0.817 5.137 4.320 -0.000 0.000 0.333 303 A C -1.209 176.320 177.584 -0.091 0.000 1.155 303 A CA -0.463 51.539 52.037 -0.058 0.000 0.814 303 A CB 1.571 20.542 19.000 -0.048 0.000 1.206 303 A HN 0.546 nan 8.150 nan 0.000 0.482 304 L N 2.117 123.295 121.223 -0.076 0.000 2.404 304 L HA 0.592 4.932 4.340 -0.000 0.000 0.272 304 L C -0.773 176.059 176.870 -0.064 0.000 0.980 304 L CA -0.161 54.629 54.840 -0.085 0.000 0.836 304 L CB 1.471 43.486 42.059 -0.072 0.000 1.238 304 L HN 0.667 nan 8.230 nan 0.000 0.408 305 R N 5.173 125.633 120.500 -0.068 0.000 2.371 305 R HA 0.483 4.823 4.340 -0.000 0.000 0.312 305 R C -0.424 175.850 176.300 -0.042 0.000 0.980 305 R CA -0.633 55.439 56.100 -0.047 0.000 0.867 305 R CB 1.660 31.933 30.300 -0.045 0.000 1.163 305 R HN 0.686 nan 8.270 nan 0.000 0.492 306 R N 0.961 121.442 120.500 -0.031 0.000 2.541 306 R HA 0.200 4.540 4.340 -0.000 0.000 0.263 306 R C 0.022 176.314 176.300 -0.013 0.000 1.112 306 R CA -0.675 55.411 56.100 -0.022 0.000 1.170 306 R CB 0.400 30.690 30.300 -0.018 0.000 1.167 306 R HN 0.486 nan 8.270 nan 0.000 0.582 307 N N 1.298 119.994 118.700 -0.007 0.000 2.667 307 N HA -0.173 4.566 4.740 -0.000 0.000 0.263 307 N C -1.377 174.133 175.510 -0.000 0.000 1.038 307 N CA 0.783 53.832 53.050 -0.002 0.000 0.749 307 N CB -0.588 37.898 38.487 -0.001 0.000 0.892 307 N HN 0.377 nan 8.380 nan 0.000 0.546 308 Q N -0.059 119.741 119.800 0.000 0.000 2.245 308 Q HA 0.421 4.760 4.340 -0.000 0.000 0.256 308 Q C 0.020 176.026 176.000 0.010 0.000 0.942 308 Q CA -0.156 55.649 55.803 0.003 0.000 0.896 308 Q CB 1.455 30.193 28.738 -0.001 0.000 1.272 308 Q HN 0.211 nan 8.270 nan 0.000 0.442 309 T N 2.493 117.055 114.554 0.013 0.000 2.767 309 T HA 0.393 4.743 4.350 -0.000 0.000 0.284 309 T C -0.024 174.688 174.700 0.021 0.000 0.973 309 T CA -0.462 61.647 62.100 0.015 0.000 0.996 309 T CB 0.509 69.385 68.868 0.014 0.000 0.927 309 T HN 0.277 nan 8.240 nan 0.000 0.456 310 L N 4.596 125.832 121.223 0.021 0.000 2.257 310 L HA 0.495 4.834 4.340 -0.000 0.000 0.290 310 L C -0.908 175.976 176.870 0.024 0.000 1.044 310 L CA -0.816 54.040 54.840 0.026 0.000 0.810 310 L CB 0.915 42.991 42.059 0.028 0.000 1.193 310 L HN 0.493 nan 8.230 nan 0.000 0.425 311 L N 4.480 125.720 121.223 0.028 0.000 2.265 311 L HA 0.387 4.727 4.340 -0.000 0.000 0.289 311 L C -0.166 176.720 176.870 0.027 0.000 1.033 311 L CA 0.173 55.025 54.840 0.021 0.000 0.814 311 L CB 1.699 43.767 42.059 0.014 0.000 1.203 311 L HN 0.474 nan 8.230 nan 0.000 0.423 312 T N 6.153 120.723 114.554 0.026 0.000 2.758 312 T HA 0.514 4.864 4.350 -0.000 0.000 0.285 312 T C -0.298 174.431 174.700 0.048 0.000 0.981 312 T CA -0.341 61.781 62.100 0.036 0.000 0.965 312 T CB 0.590 69.477 68.868 0.032 0.000 0.927 312 T HN 0.316 nan 8.240 nan 0.000 0.448 313 L N 4.186 125.443 121.223 0.056 0.000 2.276 313 L HA 0.486 4.825 4.340 -0.000 0.000 0.286 313 L C -0.204 176.718 176.870 0.087 0.000 1.024 313 L CA -0.905 53.982 54.840 0.078 0.000 0.826 313 L CB 0.650 42.759 42.059 0.084 0.000 1.211 313 L HN 0.680 nan 8.230 nan 0.000 0.422 314 H N 2.497 121.567 119.070 -0.000 0.000 2.469 314 H HA 0.656 5.212 4.556 -0.000 0.000 0.342 314 H C -0.959 174.344 175.328 -0.042 0.000 1.115 314 H CA -0.287 55.738 56.048 -0.039 0.000 1.204 314 H CB 1.813 31.558 29.762 -0.028 0.000 1.492 314 H HN 0.538 nan 8.280 nan 0.000 0.499 315 S N 5.424 120.618 115.700 -0.842 0.000 2.546 315 S HA 0.083 4.553 4.470 -0.000 0.000 0.303 315 S C 0.227 174.497 174.600 -0.550 0.000 1.067 315 S CA -0.732 57.117 58.200 -0.585 0.000 0.944 315 S CB 0.096 63.155 63.200 -0.235 0.000 1.155 315 S HN 0.604 nan 8.310 nan 0.000 0.449 316 L N 3.776 124.749 121.223 -0.418 0.000 2.351 316 L HA -0.065 4.274 4.340 -0.000 0.000 0.220 316 L C 1.767 178.504 176.870 -0.222 0.000 1.127 316 L CA 1.360 56.042 54.840 -0.263 0.000 0.786 316 L CB -1.372 40.607 42.059 -0.133 0.000 0.914 316 L HN 0.628 nan 8.230 nan 0.000 0.443 317 N N 0.479 119.054 118.700 -0.210 0.000 2.494 317 N HA -0.091 4.649 4.740 -0.000 0.000 0.182 317 N C 1.863 177.251 175.510 -0.202 0.000 1.076 317 N CA 0.702 53.674 53.050 -0.130 0.000 0.908 317 N CB -0.047 38.434 38.487 -0.009 0.000 0.967 317 N HN 0.577 nan 8.380 nan 0.000 0.449 318 M N -1.183 118.131 119.600 -0.475 0.000 2.419 318 M HA 0.123 4.603 4.480 -0.000 0.000 0.264 318 M C 0.710 176.818 176.300 -0.321 0.000 1.082 318 M CA 0.640 55.595 55.300 -0.574 0.000 1.119 318 M CB -0.056 31.901 32.600 -1.072 0.000 1.398 318 M HN -0.123 nan 8.290 nan 0.000 0.453 319 L N 3.708 124.731 121.223 -0.333 0.000 2.654 319 L HA -0.075 4.265 4.340 -0.000 0.000 0.271 319 L C 0.186 176.832 176.870 -0.375 0.000 1.169 319 L CA 0.629 55.200 54.840 -0.448 0.000 0.947 319 L CB -0.295 41.478 42.059 -0.476 0.000 1.232 319 L HN 0.625 nan 8.230 nan 0.000 0.486 320 H N -0.041 119.004 119.070 -0.042 0.000 3.641 320 H HA -0.160 4.396 4.556 -0.000 0.000 0.193 320 H C 0.790 176.116 175.328 -0.003 0.000 1.013 320 H CA 0.852 56.890 56.048 -0.017 0.000 1.212 320 H CB -1.553 28.200 29.762 -0.015 0.000 1.089 320 H HN 0.637 nan 8.280 nan 0.000 0.339 321 S N 0.862 116.602 115.700 0.067 0.000 2.610 321 S HA 0.652 5.122 4.470 -0.000 0.000 0.273 321 S C 0.485 175.138 174.600 0.088 0.000 1.274 321 S CA -0.810 57.437 58.200 0.078 0.000 1.023 321 S CB 2.368 65.615 63.200 0.078 0.000 0.962 321 S HN 0.350 nan 8.310 nan 0.000 0.523 322 R N 0.570 121.124 120.500 0.090 0.000 2.532 322 R HA 0.623 4.963 4.340 -0.000 0.000 0.295 322 R C 1.134 177.494 176.300 0.100 0.000 0.968 322 R CA -0.114 56.038 56.100 0.087 0.000 0.916 322 R CB 1.206 31.545 30.300 0.065 0.000 1.124 322 R HN 1.175 nan 8.270 nan 0.000 0.463 323 G N 1.591 110.455 108.800 0.106 0.000 2.162 323 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.260 323 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.260 323 G C 0.452 175.416 174.900 0.107 0.000 0.976 323 G CA 0.544 45.702 45.100 0.095 0.000 0.655 323 G HN 0.672 nan 8.290 nan 0.000 0.533 324 F N 0.665 120.620 119.950 0.007 0.000 2.102 324 F HA 0.113 4.640 4.527 -0.000 0.000 0.298 324 F C 2.494 178.274 175.800 -0.033 0.000 1.105 324 F CA 2.275 60.262 58.000 -0.021 0.000 1.239 324 F CB -0.157 38.821 39.000 -0.038 0.000 0.991 324 F HN 0.203 nan 8.300 nan 0.000 0.474 325 L N -0.255 121.137 121.223 0.281 0.000 2.109 325 L HA -0.109 4.231 4.340 -0.000 0.000 0.207 325 L C 2.794 179.766 176.870 0.169 0.000 1.086 325 L CA 0.852 55.802 54.840 0.183 0.000 0.760 325 L CB -1.147 41.132 42.059 0.367 0.000 0.910 325 L HN 0.232 nan 8.230 nan 0.000 0.437 326 A N 0.111 123.028 122.820 0.161 0.000 1.917 326 A HA -0.299 4.021 4.320 -0.000 0.000 0.219 326 A C 2.281 179.901 177.584 0.061 0.000 1.182 326 A CA 2.254 54.372 52.037 0.135 0.000 0.633 326 A CB -0.491 18.560 19.000 0.085 0.000 0.819 326 A HN 0.513 nan 8.150 nan 0.000 0.448 327 E N -0.506 119.664 120.200 -0.050 0.000 2.076 327 E HA -0.074 4.275 4.350 -0.000 0.000 0.190 327 E C 1.870 178.361 176.600 -0.182 0.000 0.979 327 E CA 1.070 57.397 56.400 -0.122 0.000 0.807 327 E CB -0.058 29.523 29.700 -0.198 0.000 0.761 327 E HN 0.314 nan 8.360 nan 0.000 0.454 328 V N 0.593 120.312 119.914 -0.325 0.000 2.295 328 V HA -0.241 3.879 4.120 -0.000 0.000 0.246 328 V C 2.017 177.927 176.094 -0.308 0.000 1.049 328 V CA 1.804 63.861 62.300 -0.405 0.000 1.024 328 V CB -0.631 30.850 31.823 -0.571 0.000 0.648 328 V HN 0.309 nan 8.190 nan 0.000 0.447 329 F N 0.976 120.907 119.950 -0.033 0.000 2.325 329 F HA 0.043 4.569 4.527 -0.000 0.000 0.299 329 F C 2.387 178.184 175.800 -0.004 0.000 1.090 329 F CA 1.019 59.015 58.000 -0.006 0.000 1.392 329 F CB -0.813 38.191 39.000 0.008 0.000 1.053 329 F HN 0.217 nan 8.300 nan 0.000 0.521 330 G N 0.801 109.679 108.800 0.130 0.000 2.433 330 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.216 330 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.216 330 G C 1.722 176.661 174.900 0.066 0.000 1.186 330 G CA 0.918 46.066 45.100 0.081 0.000 0.779 330 G HN 0.298 nan 8.290 nan 0.000 0.543 331 I N 0.449 121.035 120.570 0.025 0.000 2.118 331 I HA -0.206 3.964 4.170 -0.000 0.000 0.241 331 I C 2.830 179.010 176.117 0.105 0.000 1.070 331 I CA 0.948 62.278 61.300 0.050 0.000 1.327 331 I CB -0.328 37.649 38.000 -0.038 0.000 1.034 331 I HN 0.146 nan 8.210 nan 0.000 0.405 332 L N 0.435 121.692 121.223 0.057 0.000 2.013 332 L HA -0.269 4.071 4.340 -0.000 0.000 0.212 332 L C 2.873 179.825 176.870 0.137 0.000 1.073 332 L CA 1.564 56.459 54.840 0.092 0.000 0.753 332 L CB -0.771 41.357 42.059 0.115 0.000 0.890 332 L HN 0.294 nan 8.230 nan 0.000 0.432 333 A N 0.289 123.187 122.820 0.131 0.000 1.851 333 A HA -0.287 4.033 4.320 -0.000 0.000 0.216 333 A C 2.381 180.016 177.584 0.084 0.000 1.195 333 A CA 2.004 54.101 52.037 0.100 0.000 0.622 333 A CB -0.734 18.315 19.000 0.083 0.000 0.831 333 A HN 0.413 nan 8.150 nan 0.000 0.444 334 R N -0.993 119.555 120.500 0.081 0.000 2.133 334 R HA -0.221 4.119 4.340 -0.000 0.000 0.247 334 R C 1.315 177.610 176.300 -0.009 0.000 1.151 334 R CA 1.963 58.083 56.100 0.034 0.000 0.971 334 R CB -0.508 29.814 30.300 0.037 0.000 0.866 334 R HN 0.708 nan 8.270 nan 0.000 0.447 335 H N 0.709 119.786 119.070 0.011 0.000 2.555 335 H HA 0.080 4.636 4.556 -0.000 0.000 0.283 335 H C -0.148 175.189 175.328 0.014 0.000 1.037 335 H CA 0.095 56.149 56.048 0.010 0.000 1.169 335 H CB 0.013 29.779 29.762 0.006 0.000 1.375 335 H HN 0.314 nan 8.280 nan 0.000 0.582 336 N N 0.866 119.615 118.700 0.082 0.000 2.727 336 N HA -0.184 4.556 4.740 -0.000 0.000 0.251 336 N C -0.660 174.893 175.510 0.070 0.000 1.040 336 N CA 0.711 53.795 53.050 0.058 0.000 0.712 336 N CB -1.385 37.122 38.487 0.034 0.000 0.912 336 N HN 0.467 nan 8.380 nan 0.000 0.545 337 I N -0.237 120.383 120.570 0.084 0.000 2.608 337 I HA 0.240 4.409 4.170 -0.000 0.000 0.295 337 I C 0.102 176.264 176.117 0.075 0.000 1.049 337 I CA -0.642 60.704 61.300 0.076 0.000 1.063 337 I CB 2.243 40.292 38.000 0.082 0.000 1.248 337 I HN -0.001 nan 8.210 nan 0.000 0.424 338 S N 4.543 120.279 115.700 0.060 0.000 2.437 338 S HA 0.553 5.023 4.470 -0.000 0.000 0.305 338 S C -0.650 173.986 174.600 0.060 0.000 1.109 338 S CA -0.507 57.724 58.200 0.052 0.000 1.099 338 S CB 1.097 64.318 63.200 0.035 0.000 1.004 338 S HN 0.292 nan 8.310 nan 0.000 0.475 339 V N 5.197 125.152 119.914 0.068 0.000 2.498 339 V HA 0.254 4.373 4.120 -0.000 0.000 0.279 339 V C 0.802 176.917 176.094 0.036 0.000 1.048 339 V CA -0.211 62.140 62.300 0.084 0.000 0.967 339 V CB 1.506 33.419 31.823 0.150 0.000 0.988 339 V HN 0.969 nan 8.190 nan 0.000 0.473 340 D N 3.144 123.568 120.400 0.040 0.000 2.589 340 D HA 0.214 4.854 4.640 -0.000 0.000 0.262 340 D C 0.507 176.818 176.300 0.019 0.000 1.410 340 D CA 0.496 54.507 54.000 0.018 0.000 1.044 340 D CB 0.132 40.941 40.800 0.015 0.000 1.016 340 D HN 0.402 nan 8.370 nan 0.000 0.349 341 L N 0.996 122.238 121.223 0.031 0.000 2.399 341 L HA 0.457 4.797 4.340 -0.000 0.000 0.266 341 L C -0.230 176.680 176.870 0.066 0.000 1.114 341 L CA -0.427 54.436 54.840 0.038 0.000 0.804 341 L CB 1.501 43.581 42.059 0.035 0.000 1.146 341 L HN 0.180 nan 8.230 nan 0.000 0.451 342 I N 0.919 121.529 120.570 0.066 0.000 2.644 342 I HA 0.325 4.495 4.170 -0.000 0.000 0.291 342 I C -0.559 175.605 176.117 0.078 0.000 1.180 342 I CA -0.205 61.154 61.300 0.099 0.000 1.040 342 I CB 2.444 40.518 38.000 0.123 0.000 1.255 342 I HN 0.497 nan 8.210 nan 0.000 0.422 343 T N 3.345 117.947 114.554 0.081 0.000 2.909 343 T HA 0.779 5.129 4.350 -0.000 0.000 0.299 343 T C -0.753 173.983 174.700 0.060 0.000 1.073 343 T CA -0.314 61.824 62.100 0.063 0.000 0.999 343 T CB 1.701 70.603 68.868 0.056 0.000 1.098 343 T HN 0.789 nan 8.240 nan 0.000 0.477 344 T N 0.146 114.727 114.554 0.046 0.000 2.906 344 T HA 0.819 5.169 4.350 -0.000 0.000 0.295 344 T C -0.146 174.563 174.700 0.016 0.000 1.075 344 T CA -0.543 61.577 62.100 0.032 0.000 1.005 344 T CB 1.606 70.494 68.868 0.033 0.000 1.136 344 T HN 0.828 nan 8.240 nan 0.000 0.498 345 S N 0.118 115.819 115.700 0.001 0.000 2.841 345 S HA 0.532 5.002 4.470 -0.000 0.000 0.318 345 S C 0.681 175.262 174.600 -0.032 0.000 1.127 345 S CA -0.719 57.478 58.200 -0.006 0.000 0.883 345 S CB 1.432 64.634 63.200 0.004 0.000 1.271 345 S HN 0.651 nan 8.310 nan 0.000 0.567 346 E N 0.360 120.537 120.200 -0.039 0.000 2.031 346 E HA -0.053 4.297 4.350 -0.000 0.000 0.193 346 E C 1.572 178.094 176.600 -0.130 0.000 0.994 346 E CA 1.971 58.325 56.400 -0.076 0.000 0.800 346 E CB -0.500 29.161 29.700 -0.065 0.000 0.752 346 E HN 0.764 nan 8.360 nan 0.000 0.447 347 V N -2.066 117.783 119.914 -0.110 0.000 2.940 347 V HA 0.474 4.594 4.120 -0.000 0.000 0.366 347 V C 0.057 176.048 176.094 -0.173 0.000 1.353 347 V CA -0.369 61.818 62.300 -0.189 0.000 1.232 347 V CB 0.455 32.169 31.823 -0.182 0.000 1.278 347 V HN 0.022 nan 8.190 nan 0.000 0.546 348 S N -0.341 115.304 115.700 -0.091 0.000 2.537 348 S HA 0.735 5.205 4.470 -0.000 0.000 0.271 348 S C -1.604 172.985 174.600 -0.019 0.000 1.148 348 S CA -0.075 58.111 58.200 -0.023 0.000 0.868 348 S CB 2.198 65.466 63.200 0.113 0.000 1.115 348 S HN 1.084 nan 8.310 nan 0.000 0.461 349 V N 3.151 123.066 119.914 0.002 0.000 2.709 349 V HA 0.948 5.067 4.120 -0.000 0.000 0.308 349 V C -0.556 175.568 176.094 0.050 0.000 1.062 349 V CA -0.060 62.260 62.300 0.033 0.000 0.901 349 V CB 1.428 33.280 31.823 0.049 0.000 1.003 349 V HN 1.331 nan 8.190 nan 0.000 0.425 350 A N 7.592 130.448 122.820 0.061 0.000 2.343 350 A HA 0.934 5.253 4.320 -0.000 0.000 0.316 350 A C -0.894 176.737 177.584 0.079 0.000 1.104 350 A CA -0.592 51.481 52.037 0.060 0.000 0.768 350 A CB 1.251 20.280 19.000 0.049 0.000 1.213 350 A HN 1.642 nan 8.150 nan 0.000 0.456 351 L N 0.148 121.419 121.223 0.080 0.000 2.359 351 L HA 0.993 5.333 4.340 -0.000 0.000 0.256 351 L C -0.365 176.549 176.870 0.074 0.000 1.026 351 L CA -0.737 54.164 54.840 0.101 0.000 0.828 351 L CB 2.241 44.399 42.059 0.166 0.000 1.406 351 L HN 0.646 nan 8.230 nan 0.000 0.413 352 T N -0.612 113.984 114.554 0.069 0.000 2.885 352 T HA 0.654 5.004 4.350 -0.000 0.000 0.285 352 T C -0.230 174.501 174.700 0.052 0.000 1.019 352 T CA -0.792 61.337 62.100 0.049 0.000 1.010 352 T CB 1.587 70.475 68.868 0.034 0.000 1.022 352 T HN 0.605 nan 8.240 nan 0.000 0.466 353 L N 2.316 123.564 121.223 0.042 0.000 2.367 353 L HA 0.348 4.688 4.340 -0.000 0.000 0.275 353 L C 0.390 177.279 176.870 0.032 0.000 1.129 353 L CA -0.704 54.161 54.840 0.042 0.000 0.839 353 L CB 0.294 42.373 42.059 0.034 0.000 1.133 353 L HN 0.767 nan 8.230 nan 0.000 0.453 354 D N 1.357 121.777 120.400 0.034 0.000 2.402 354 D HA 0.031 4.671 4.640 -0.000 0.000 0.235 354 D C 1.343 177.656 176.300 0.022 0.000 1.226 354 D CA -0.272 53.742 54.000 0.023 0.000 0.918 354 D CB 1.002 41.816 40.800 0.024 0.000 1.043 354 D HN 0.650 nan 8.370 nan 0.000 0.506 355 T N 0.126 114.689 114.554 0.015 0.000 2.881 355 T HA -0.183 4.167 4.350 -0.000 0.000 0.270 355 T C 1.725 176.432 174.700 0.012 0.000 1.068 355 T CA 1.335 63.443 62.100 0.013 0.000 1.131 355 T CB -0.394 68.479 68.868 0.008 0.000 0.871 355 T HN 0.323 nan 8.240 nan 0.000 0.479 356 T N 1.530 116.090 114.554 0.010 0.000 2.770 356 T HA 0.122 4.472 4.350 -0.000 0.000 0.263 356 T C 2.016 176.725 174.700 0.016 0.000 1.039 356 T CA 1.194 63.300 62.100 0.010 0.000 1.142 356 T CB -0.746 68.128 68.868 0.009 0.000 0.868 356 T HN 0.608 nan 8.240 nan 0.000 0.435 357 G N 1.113 109.926 108.800 0.022 0.000 3.262 357 G HA2 0.285 4.245 3.960 -0.000 0.000 0.228 357 G HA3 0.285 4.245 3.960 -0.000 0.000 0.228 357 G C 0.012 174.926 174.900 0.023 0.000 1.197 357 G CA -0.271 44.844 45.100 0.024 0.000 0.819 357 G HN 0.385 nan 8.290 nan 0.000 0.531 358 S N 0.376 116.089 115.700 0.023 0.000 2.482 358 S HA 0.457 4.927 4.470 -0.000 0.000 0.303 358 S C 0.158 174.770 174.600 0.021 0.000 1.091 358 S CA -0.663 57.553 58.200 0.027 0.000 1.057 358 S CB 1.615 64.834 63.200 0.032 0.000 1.031 358 S HN 0.377 nan 8.310 nan 0.000 0.485 359 T N 0.050 114.617 114.554 0.021 0.000 2.871 359 T HA 0.065 4.415 4.350 -0.000 0.000 0.296 359 T C 0.906 175.616 174.700 0.016 0.000 0.998 359 T CA -0.319 61.791 62.100 0.016 0.000 1.162 359 T CB 0.647 69.524 68.868 0.015 0.000 0.947 359 T HN 0.465 nan 8.240 nan 0.000 0.536 360 S N 2.322 118.029 115.700 0.012 0.000 2.803 360 S HA 0.076 4.546 4.470 -0.000 0.000 0.228 360 S C 0.719 175.325 174.600 0.011 0.000 0.953 360 S CA -0.640 57.567 58.200 0.011 0.000 0.983 360 S CB -0.890 62.314 63.200 0.007 0.000 0.784 360 S HN 0.824 nan 8.310 nan 0.000 0.498 361 T N 2.747 117.308 114.554 0.012 0.000 3.462 361 T HA 0.527 4.877 4.350 -0.000 0.000 0.257 361 T C 0.559 175.267 174.700 0.014 0.000 1.015 361 T CA 0.533 62.639 62.100 0.011 0.000 1.135 361 T CB -0.362 68.511 68.868 0.010 0.000 1.061 361 T HN 0.705 nan 8.240 nan 0.000 0.772 362 G N 2.754 111.562 108.800 0.013 0.000 2.302 362 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.276 362 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.276 362 G C -0.130 174.777 174.900 0.013 0.000 1.316 362 G CA -0.027 45.081 45.100 0.014 0.000 0.988 362 G HN 0.419 nan 8.290 nan 0.000 0.479 363 D N -1.382 119.026 120.400 0.013 0.000 2.431 363 D HA 0.214 4.853 4.640 -0.000 0.000 0.227 363 D C 0.704 177.012 176.300 0.013 0.000 1.030 363 D CA 1.102 55.109 54.000 0.012 0.000 0.897 363 D CB 0.848 41.654 40.800 0.010 0.000 1.058 363 D HN 0.470 nan 8.370 nan 0.000 0.500 364 T N 0.707 115.270 114.554 0.015 0.000 2.921 364 T HA 0.360 4.709 4.350 -0.000 0.000 0.297 364 T C 1.162 175.875 174.700 0.021 0.000 1.013 364 T CA -0.586 61.524 62.100 0.016 0.000 0.990 364 T CB 2.432 71.307 68.868 0.013 0.000 1.023 364 T HN -0.136 nan 8.240 nan 0.000 0.447 365 L N 2.154 123.390 121.223 0.022 0.000 2.083 365 L HA 0.126 4.466 4.340 -0.000 0.000 0.209 365 L C 0.884 177.771 176.870 0.027 0.000 1.083 365 L CA 1.175 56.032 54.840 0.029 0.000 0.752 365 L CB -0.260 41.815 42.059 0.027 0.000 0.899 365 L HN 0.455 nan 8.230 nan 0.000 0.433 366 L N 0.787 122.017 121.223 0.012 0.000 2.334 366 L HA 0.147 4.487 4.340 -0.000 0.000 0.286 366 L C 0.463 177.332 176.870 -0.001 0.000 1.108 366 L CA -0.205 54.632 54.840 -0.005 0.000 0.875 366 L CB 0.300 42.352 42.059 -0.011 0.000 1.246 366 L HN 0.044 nan 8.230 nan 0.000 0.439 367 T N 0.641 115.199 114.554 0.007 0.000 2.922 367 T HA 0.083 4.433 4.350 -0.000 0.000 0.285 367 T C 1.039 175.737 174.700 -0.002 0.000 1.005 367 T CA -0.484 61.629 62.100 0.022 0.000 1.061 367 T CB 1.362 70.271 68.868 0.068 0.000 1.007 367 T HN 0.523 nan 8.240 nan 0.000 0.502 368 Q N 1.825 121.630 119.800 0.007 0.000 2.297 368 Q HA -0.089 4.251 4.340 -0.000 0.000 0.208 368 Q C 2.248 178.249 176.000 0.001 0.000 0.981 368 Q CA 1.391 57.193 55.803 -0.001 0.000 0.876 368 Q CB -0.486 28.256 28.738 0.006 0.000 0.921 368 Q HN 0.788 nan 8.270 nan 0.000 0.446 369 S N 0.411 116.133 115.700 0.036 0.000 2.348 369 S HA -0.149 4.321 4.470 -0.000 0.000 0.221 369 S C 1.885 176.489 174.600 0.006 0.000 1.033 369 S CA 1.050 59.303 58.200 0.088 0.000 1.010 369 S CB -0.151 63.173 63.200 0.208 0.000 0.891 369 S HN 0.332 nan 8.310 nan 0.000 0.442 370 L N 2.028 123.137 121.223 -0.190 0.000 1.994 370 L HA 0.045 4.385 4.340 -0.000 0.000 0.208 370 L C 2.208 178.908 176.870 -0.284 0.000 1.071 370 L CA 1.825 56.283 54.840 -0.637 0.000 0.745 370 L CB -0.879 40.794 42.059 -0.643 0.000 0.892 370 L HN 0.442 nan 8.230 nan 0.000 0.431 371 L N -1.281 119.847 121.223 -0.157 0.000 2.081 371 L HA -0.271 4.068 4.340 -0.000 0.000 0.212 371 L C 2.632 179.460 176.870 -0.069 0.000 1.080 371 L CA 1.947 56.731 54.840 -0.093 0.000 0.754 371 L CB -0.671 41.356 42.059 -0.054 0.000 0.893 371 L HN 0.438 nan 8.230 nan 0.000 0.433 372 M N 0.003 119.571 119.600 -0.054 0.000 2.099 372 M HA -0.208 4.272 4.480 -0.000 0.000 0.262 372 M C 2.198 178.474 176.300 -0.040 0.000 1.067 372 M CA 1.699 56.980 55.300 -0.031 0.000 1.124 372 M CB -0.015 32.579 32.600 -0.010 0.000 1.353 372 M HN 0.113 nan 8.290 nan 0.000 0.410 373 E N 0.003 120.172 120.200 -0.052 0.000 2.118 373 E HA -0.215 4.135 4.350 -0.000 0.000 0.195 373 E C 1.884 178.433 176.600 -0.085 0.000 0.992 373 E CA 1.555 57.925 56.400 -0.051 0.000 0.804 373 E CB -0.140 29.539 29.700 -0.034 0.000 0.741 373 E HN 0.543 nan 8.360 nan 0.000 0.458 374 L N -0.224 120.934 121.223 -0.108 0.000 2.023 374 L HA -0.120 4.220 4.340 -0.000 0.000 0.205 374 L C 2.504 179.334 176.870 -0.067 0.000 1.073 374 L CA 0.821 55.594 54.840 -0.111 0.000 0.745 374 L CB -0.330 41.661 42.059 -0.113 0.000 0.900 374 L HN 0.038 nan 8.230 nan 0.000 0.435 375 S N 0.367 116.041 115.700 -0.043 0.000 2.423 375 S HA -0.232 4.238 4.470 -0.000 0.000 0.238 375 S C 2.049 176.643 174.600 -0.010 0.000 1.028 375 S CA 1.151 59.342 58.200 -0.014 0.000 1.000 375 S CB -0.399 62.795 63.200 -0.010 0.000 0.797 375 S HN 0.494 nan 8.310 nan 0.000 0.487 376 A N 1.056 123.859 122.820 -0.028 0.000 2.186 376 A HA 0.035 4.355 4.320 -0.000 0.000 0.219 376 A C 1.501 179.072 177.584 -0.022 0.000 1.159 376 A CA 1.146 53.167 52.037 -0.025 0.000 0.680 376 A CB -0.546 18.432 19.000 -0.036 0.000 0.787 376 A HN 0.661 nan 8.150 nan 0.000 0.467 377 L N -4.630 116.578 121.223 -0.025 0.000 3.573 377 L HA 0.458 4.798 4.340 -0.000 0.000 0.335 377 L C -0.435 176.521 176.870 0.143 0.000 1.321 377 L CA -0.476 54.371 54.840 0.013 0.000 1.009 377 L CB -0.553 41.434 42.059 -0.121 0.000 1.417 377 L HN 0.515 nan 8.230 nan 0.000 0.619 378 C N -1.259 118.103 119.300 0.104 0.000 2.998 378 C HA 0.338 4.798 4.460 -0.000 0.000 0.351 378 C C -0.639 174.402 174.990 0.086 0.000 1.169 378 C CA -0.877 58.222 59.018 0.135 0.000 1.116 378 C CB 1.657 29.554 27.740 0.263 0.000 1.392 378 C HN 0.597 nan 8.230 nan 0.000 0.511 379 R N 2.242 122.806 120.500 0.107 0.000 2.242 379 R HA 0.568 4.908 4.340 -0.000 0.000 0.334 379 R C -0.610 175.741 176.300 0.084 0.000 1.071 379 R CA -0.175 55.986 56.100 0.101 0.000 0.922 379 R CB 0.645 31.032 30.300 0.146 0.000 1.023 379 R HN 0.756 nan 8.270 nan 0.000 0.458 380 V N 5.325 125.265 119.914 0.045 0.000 2.455 380 V HA 0.148 4.268 4.120 -0.000 0.000 0.273 380 V C 0.053 176.158 176.094 0.018 0.000 1.045 380 V CA 0.132 62.448 62.300 0.026 0.000 0.976 380 V CB 1.228 33.051 31.823 0.001 0.000 0.993 380 V HN 0.803 nan 8.190 nan 0.000 0.475 381 E N 3.387 123.598 120.200 0.018 0.000 2.234 381 E HA 0.636 4.986 4.350 -0.000 0.000 0.266 381 E C -1.454 175.151 176.600 0.008 0.000 0.877 381 E CA -0.559 55.847 56.400 0.009 0.000 0.758 381 E CB 2.689 32.392 29.700 0.005 0.000 1.170 381 E HN 0.425 nan 8.360 nan 0.000 0.415 382 V N 2.666 122.583 119.914 0.005 0.000 2.680 382 V HA 0.387 4.506 4.120 -0.000 0.000 0.309 382 V C -0.585 175.513 176.094 0.007 0.000 1.052 382 V CA -0.617 61.687 62.300 0.006 0.000 0.908 382 V CB 2.023 33.847 31.823 0.003 0.000 1.001 382 V HN 0.667 nan 8.190 nan 0.000 0.431 383 E N 2.863 123.069 120.200 0.010 0.000 2.260 383 E HA 0.471 4.820 4.350 -0.000 0.000 0.266 383 E C -1.205 175.402 176.600 0.013 0.000 0.887 383 E CA -0.496 55.911 56.400 0.011 0.000 0.777 383 E CB 2.513 32.221 29.700 0.014 0.000 1.205 383 E HN 0.712 nan 8.360 nan 0.000 0.414 384 E N 0.208 120.414 120.200 0.011 0.000 2.264 384 E HA 0.569 4.919 4.350 -0.000 0.000 0.260 384 E C 0.463 177.070 176.600 0.011 0.000 0.961 384 E CA -0.722 55.684 56.400 0.011 0.000 0.834 384 E CB 1.712 31.417 29.700 0.009 0.000 1.230 384 E HN 0.679 nan 8.360 nan 0.000 0.412 385 G N 0.563 109.369 108.800 0.010 0.000 2.157 385 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.248 385 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.248 385 G C 0.033 174.941 174.900 0.012 0.000 0.979 385 G CA -0.059 45.047 45.100 0.010 0.000 0.650 385 G HN 0.276 nan 8.290 nan 0.000 0.529 386 L N 0.576 121.807 121.223 0.013 0.000 2.418 386 L HA 0.668 5.007 4.340 -0.000 0.000 0.265 386 L C 0.819 177.693 176.870 0.006 0.000 1.143 386 L CA -0.082 54.768 54.840 0.017 0.000 0.809 386 L CB 1.450 43.522 42.059 0.023 0.000 1.124 386 L HN 0.360 nan 8.230 nan 0.000 0.456 387 A N 2.972 125.794 122.820 0.004 0.000 2.343 387 A HA 0.590 4.910 4.320 -0.000 0.000 0.316 387 A C -1.034 176.518 177.584 -0.054 0.000 1.104 387 A CA -0.539 51.485 52.037 -0.022 0.000 0.768 387 A CB 1.355 20.343 19.000 -0.021 0.000 1.213 387 A HN 0.547 nan 8.150 nan 0.000 0.456 388 L N 3.643 124.817 121.223 -0.080 0.000 2.290 388 L HA 0.615 4.955 4.340 -0.000 0.000 0.284 388 L C -0.821 175.907 176.870 -0.236 0.000 1.078 388 L CA 0.178 54.934 54.840 -0.140 0.000 0.815 388 L CB 1.119 43.119 42.059 -0.098 0.000 1.162 388 L HN 0.399 nan 8.230 nan 0.000 0.435 389 V N 5.285 124.920 119.914 -0.465 0.000 2.448 389 V HA 0.866 4.986 4.120 -0.000 0.000 0.295 389 V C -0.074 175.621 176.094 -0.665 0.000 1.025 389 V CA -0.241 61.697 62.300 -0.603 0.000 0.859 389 V CB 1.308 32.587 31.823 -0.906 0.000 0.988 389 V HN 0.987 nan 8.190 nan 0.000 0.431 390 A N 5.238 127.855 122.820 -0.339 0.000 2.374 390 A HA 0.883 5.203 4.320 -0.000 0.000 0.305 390 A C -1.408 176.152 177.584 -0.039 0.000 1.053 390 A CA -0.531 51.395 52.037 -0.185 0.000 0.726 390 A CB 1.284 20.221 19.000 -0.105 0.000 1.229 390 A HN 0.654 nan 8.150 nan 0.000 0.431 391 L N 3.176 124.442 121.223 0.071 0.000 2.255 391 L HA 0.439 4.779 4.340 -0.000 0.000 0.289 391 L C -0.587 176.424 176.870 0.235 0.000 1.046 391 L CA 0.120 55.084 54.840 0.207 0.000 0.816 391 L CB 0.675 42.926 42.059 0.320 0.000 1.197 391 L HN 0.568 nan 8.230 nan 0.000 0.427 392 I N 2.792 123.484 120.570 0.203 0.000 2.353 392 I HA 0.775 4.945 4.170 -0.000 0.000 0.293 392 I C 0.858 177.109 176.117 0.222 0.000 0.992 392 I CA 0.223 61.616 61.300 0.156 0.000 1.268 392 I CB 1.270 39.301 38.000 0.051 0.000 1.387 392 I HN 0.653 nan 8.210 nan 0.000 0.478 393 G N 4.934 113.846 108.800 0.187 0.000 2.529 393 G HA2 0.372 4.331 3.960 -0.000 0.000 0.238 393 G HA3 0.372 4.331 3.960 -0.000 0.000 0.238 393 G C -1.441 173.548 174.900 0.147 0.000 1.207 393 G CA -0.588 44.601 45.100 0.149 0.000 0.928 393 G HN 0.423 nan 8.290 nan 0.000 0.495 394 N N 0.542 119.254 118.700 0.019 0.000 2.284 394 N HA 0.360 5.100 4.740 -0.000 0.000 0.289 394 N C -1.146 174.290 175.510 -0.124 0.000 1.179 394 N CA -0.507 52.545 53.050 0.002 0.000 0.774 394 N CB 2.477 40.991 38.487 0.045 0.000 1.548 394 N HN 0.593 nan 8.380 nan 0.000 0.473 395 D N 0.778 121.084 120.400 -0.156 0.000 2.983 395 D HA -0.170 4.470 4.640 -0.000 0.000 0.225 395 D C 1.024 177.258 176.300 -0.109 0.000 1.174 395 D CA 0.537 54.455 54.000 -0.137 0.000 0.831 395 D CB -0.787 39.946 40.800 -0.112 0.000 1.104 395 D HN 0.515 nan 8.370 nan 0.000 0.421 396 L N -0.769 120.406 121.223 -0.081 0.000 2.549 396 L HA -0.015 4.325 4.340 -0.000 0.000 0.229 396 L C 1.152 178.147 176.870 0.209 0.000 1.158 396 L CA 0.729 55.599 54.840 0.050 0.000 0.842 396 L CB -0.023 42.120 42.059 0.140 0.000 0.952 396 L HN 0.017 nan 8.230 nan 0.000 0.452 397 S N -0.491 115.253 115.700 0.074 0.000 2.533 397 S HA 0.597 5.066 4.470 -0.000 0.000 0.271 397 S C -1.096 173.504 174.600 -0.001 0.000 1.143 397 S CA -0.740 57.518 58.200 0.096 0.000 0.891 397 S CB 2.131 65.288 63.200 -0.072 0.000 1.105 397 S HN 0.097 nan 8.310 nan 0.000 0.468 398 K N 1.695 122.109 120.400 0.023 0.000 2.536 398 K HA 0.779 5.099 4.320 -0.000 0.000 0.269 398 K C 0.693 177.296 176.600 0.005 0.000 0.965 398 K CA -0.101 56.181 56.287 -0.008 0.000 0.860 398 K CB 1.441 33.932 32.500 -0.015 0.000 1.423 398 K HN 0.615 nan 8.250 nan 0.000 0.438 399 A N 0.598 123.413 122.820 -0.007 0.000 2.032 399 A HA -0.168 4.152 4.320 -0.000 0.000 0.221 399 A C 1.565 179.157 177.584 0.012 0.000 1.165 399 A CA 1.997 54.034 52.037 -0.001 0.000 0.645 399 A CB -1.127 17.869 19.000 -0.006 0.000 0.807 399 A HN 0.833 nan 8.150 nan 0.000 0.453 400 C N -2.764 116.543 119.300 0.011 0.000 2.754 400 C HA 0.569 5.029 4.460 -0.000 0.000 0.276 400 C C 1.362 176.369 174.990 0.028 0.000 1.264 400 C CA -0.623 58.403 59.018 0.014 0.000 1.700 400 C CB -1.487 26.254 27.740 0.001 0.000 1.885 400 C HN 1.736 nan 8.230 nan 0.000 0.607 401 G N 0.429 109.260 108.800 0.051 0.000 2.829 401 G HA2 0.110 4.070 3.960 -0.000 0.000 0.628 401 G HA3 0.110 4.070 3.960 -0.000 0.000 0.628 401 G C -0.966 173.955 174.900 0.035 0.000 1.412 401 G CA -0.233 44.923 45.100 0.095 0.000 0.864 401 G HN 1.052 nan 8.290 nan 0.000 0.544 402 V N 0.846 120.757 119.914 -0.005 0.000 2.789 402 V HA 0.812 4.932 4.120 -0.000 0.000 0.311 402 V C 1.316 177.120 176.094 -0.484 0.000 1.073 402 V CA 0.162 62.337 62.300 -0.209 0.000 0.921 402 V CB 1.394 33.090 31.823 -0.212 0.000 1.009 402 V HN 1.833 nan 8.190 nan 0.000 0.426 403 G N 2.130 110.689 108.800 -0.403 0.000 2.514 403 G HA2 0.188 4.148 3.960 -0.000 0.000 0.245 403 G HA3 0.188 4.148 3.960 -0.000 0.000 0.245 403 G C 0.772 175.299 174.900 -0.622 0.000 1.488 403 G CA 0.193 45.056 45.100 -0.394 0.000 1.063 403 G HN 0.854 nan 8.290 nan 0.000 0.557 404 K N -0.332 119.898 120.400 -0.282 0.000 2.432 404 K HA 0.040 4.360 4.320 -0.000 0.000 0.196 404 K C 1.675 178.208 176.600 -0.112 0.000 1.038 404 K CA 1.325 57.526 56.287 -0.142 0.000 0.986 404 K CB 0.013 32.502 32.500 -0.019 0.000 0.782 404 K HN 0.362 nan 8.250 nan 0.000 0.485 405 E N 1.423 121.533 120.200 -0.150 0.000 2.097 405 E HA -0.163 4.187 4.350 -0.000 0.000 0.196 405 E C 1.890 178.500 176.600 0.016 0.000 1.000 405 E CA 1.609 57.971 56.400 -0.064 0.000 0.804 405 E CB -0.274 29.368 29.700 -0.096 0.000 0.740 405 E HN 0.151 nan 8.360 nan 0.000 0.454 406 V N -0.442 119.412 119.914 -0.100 0.000 2.992 406 V HA 0.020 4.140 4.120 -0.000 0.000 0.250 406 V C 1.650 177.900 176.094 0.261 0.000 1.090 406 V CA 0.860 63.218 62.300 0.096 0.000 1.101 406 V CB -0.359 31.420 31.823 -0.073 0.000 0.743 406 V HN 0.230 nan 8.190 nan 0.000 0.468 407 F N 1.123 121.068 119.950 -0.008 0.000 2.179 407 F HA 0.118 4.645 4.527 -0.000 0.000 0.292 407 F C 2.607 178.393 175.800 -0.022 0.000 1.089 407 F CA 0.668 58.639 58.000 -0.049 0.000 1.295 407 F CB -0.785 38.160 39.000 -0.092 0.000 1.041 407 F HN 0.277 nan 8.300 nan 0.000 0.487 408 G N 1.161 110.068 108.800 0.178 0.000 2.562 408 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.223 408 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.223 408 G C 1.668 176.608 174.900 0.068 0.000 1.102 408 G CA 1.498 46.649 45.100 0.084 0.000 0.742 408 G HN 0.364 nan 8.290 nan 0.000 0.587 409 V N -0.822 119.145 119.914 0.090 0.000 2.469 409 V HA -0.056 4.064 4.120 -0.000 0.000 0.251 409 V C 2.279 178.482 176.094 0.181 0.000 1.064 409 V CA 1.798 64.135 62.300 0.062 0.000 1.066 409 V CB -0.497 31.299 31.823 -0.045 0.000 0.667 409 V HN 0.357 nan 8.190 nan 0.000 0.461 410 L N 0.128 121.437 121.223 0.143 0.000 2.685 410 L HA 0.304 4.644 4.340 -0.000 0.000 0.233 410 L C 2.224 179.173 176.870 0.132 0.000 1.173 410 L CA 0.548 55.486 54.840 0.163 0.000 0.961 410 L CB -0.477 41.476 42.059 -0.176 0.000 1.217 410 L HN 0.412 nan 8.230 nan 0.000 0.478 411 E N 2.536 122.742 120.200 0.010 0.000 2.017 411 E HA -0.154 4.195 4.350 -0.000 0.000 0.193 411 E C -0.528 175.908 176.600 -0.272 0.000 0.997 411 E CA 1.152 57.487 56.400 -0.108 0.000 0.804 411 E CB -0.568 29.074 29.700 -0.096 0.000 0.757 411 E HN 0.305 nan 8.360 nan 0.000 0.448 412 P HA -0.090 nan 4.420 nan 0.000 0.234 412 P C -0.553 176.204 177.300 -0.906 0.000 1.162 412 P CA 0.754 63.369 63.100 -0.808 0.000 0.759 412 P CB -0.305 30.824 31.700 -0.953 0.000 0.813 413 F N -0.418 119.474 119.950 -0.097 0.000 2.556 413 F HA 0.409 4.935 4.527 -0.000 0.000 0.327 413 F C 0.741 176.479 175.800 -0.104 0.000 1.059 413 F CA -1.527 56.419 58.000 -0.090 0.000 0.953 413 F CB 0.313 39.252 39.000 -0.102 0.000 1.227 413 F HN -0.361 nan 8.300 nan 0.000 0.478 414 N N 2.572 121.350 118.700 0.130 0.000 2.415 414 N HA 0.360 5.099 4.740 -0.000 0.000 0.246 414 N C -0.770 174.772 175.510 0.054 0.000 1.078 414 N CA 0.013 53.096 53.050 0.054 0.000 0.942 414 N CB 0.828 39.344 38.487 0.048 0.000 1.140 414 N HN 0.483 nan 8.380 nan 0.000 0.501 415 I N 1.274 121.843 120.570 -0.001 0.000 2.392 415 I HA 0.279 4.449 4.170 -0.000 0.000 0.295 415 I C 1.635 177.768 176.117 0.026 0.000 0.985 415 I CA -0.576 60.718 61.300 -0.010 0.000 1.221 415 I CB 2.151 40.062 38.000 -0.149 0.000 1.366 415 I HN 0.305 nan 8.210 nan 0.000 0.467 416 R N 5.388 125.930 120.500 0.070 0.000 2.308 416 R HA 0.380 4.720 4.340 -0.000 0.000 0.202 416 R C -0.290 176.046 176.300 0.060 0.000 0.898 416 R CA 0.315 56.448 56.100 0.055 0.000 1.046 416 R CB 0.736 31.070 30.300 0.057 0.000 1.026 416 R HN 0.728 nan 8.270 nan 0.000 0.512 417 M N 0.779 120.434 119.600 0.091 0.000 2.389 417 M HA 0.378 4.857 4.480 -0.000 0.000 0.291 417 M C -2.125 174.257 176.300 0.136 0.000 1.128 417 M CA -0.451 54.904 55.300 0.091 0.000 0.942 417 M CB 2.244 34.894 32.600 0.084 0.000 1.783 417 M HN -0.146 nan 8.290 nan 0.000 0.501 418 I N 2.846 123.479 120.570 0.104 0.000 2.582 418 I HA 0.496 4.666 4.170 -0.000 0.000 0.292 418 I C -1.278 174.911 176.117 0.121 0.000 1.066 418 I CA -0.714 60.666 61.300 0.133 0.000 1.053 418 I CB 2.283 40.318 38.000 0.058 0.000 1.241 418 I HN 0.659 nan 8.210 nan 0.000 0.421 419 C N 5.685 125.077 119.300 0.153 0.000 2.344 419 C HA 0.594 5.054 4.460 -0.000 0.000 0.326 419 C C -0.892 174.216 174.990 0.196 0.000 1.201 419 C CA -0.556 58.539 59.018 0.128 0.000 1.410 419 C CB 0.253 28.045 27.740 0.086 0.000 2.070 419 C HN 0.641 nan 8.230 nan 0.000 0.445 420 Y N 1.532 121.858 120.300 0.044 0.000 2.479 420 Y HA 0.705 5.255 4.550 -0.000 0.000 0.338 420 Y C 0.461 176.394 175.900 0.055 0.000 1.055 420 Y CA 0.611 58.748 58.100 0.061 0.000 1.023 420 Y CB 1.744 40.236 38.460 0.055 0.000 1.287 420 Y HN 0.808 nan 8.280 nan 0.000 0.447 421 G N 2.341 110.543 108.800 -0.996 0.000 2.352 421 G HA2 -0.213 3.746 3.960 -0.000 0.000 0.204 421 G HA3 -0.213 3.746 3.960 -0.000 0.000 0.204 421 G C 1.000 175.700 174.900 -0.334 0.000 1.004 421 G CA 0.224 44.910 45.100 -0.690 0.000 0.648 421 G HN 1.418 nan 8.290 nan 0.000 0.491 422 A N -0.004 122.685 122.820 -0.220 0.000 1.873 422 A HA 0.550 4.870 4.320 -0.000 0.000 0.215 422 A C 1.566 179.080 177.584 -0.116 0.000 1.186 422 A CA 2.603 54.565 52.037 -0.124 0.000 0.616 422 A CB -0.285 18.671 19.000 -0.075 0.000 0.823 422 A HN 1.733 nan 8.150 nan 0.000 0.442 423 S N -1.755 113.871 115.700 -0.123 0.000 2.542 423 S HA 0.422 4.891 4.470 -0.000 0.000 0.293 423 S C 0.746 175.277 174.600 -0.115 0.000 1.089 423 S CA 0.167 58.316 58.200 -0.084 0.000 0.961 423 S CB 1.755 64.949 63.200 -0.011 0.000 1.062 423 S HN 0.658 nan 8.310 nan 0.000 0.483 424 S N 2.401 117.992 115.700 -0.181 0.000 2.593 424 S HA 0.115 4.585 4.470 -0.000 0.000 0.217 424 S C 0.739 175.167 174.600 -0.287 0.000 0.966 424 S CA 0.132 58.184 58.200 -0.245 0.000 0.914 424 S CB -0.409 62.583 63.200 -0.347 0.000 0.776 424 S HN 0.828 nan 8.310 nan 0.000 0.523 425 H N 0.639 119.702 119.070 -0.011 0.000 2.705 425 H HA 0.399 4.955 4.556 -0.000 0.000 0.269 425 H C 0.062 175.404 175.328 0.023 0.000 0.998 425 H CA -0.136 55.905 56.048 -0.011 0.000 1.193 425 H CB 0.238 29.968 29.762 -0.053 0.000 1.485 425 H HN 0.388 nan 8.280 nan 0.000 0.521 426 N N 0.858 119.639 118.700 0.136 0.000 2.229 426 N HA 0.274 5.014 4.740 -0.000 0.000 0.298 426 N C -1.582 174.039 175.510 0.184 0.000 1.114 426 N CA -0.460 52.668 53.050 0.130 0.000 0.776 426 N CB 2.740 41.267 38.487 0.067 0.000 1.501 426 N HN 0.149 nan 8.380 nan 0.000 0.474 427 L N 3.374 124.729 121.223 0.220 0.000 2.611 427 L HA 0.502 4.842 4.340 -0.000 0.000 0.263 427 L C -1.174 175.825 176.870 0.215 0.000 0.969 427 L CA -0.523 54.501 54.840 0.307 0.000 0.894 427 L CB 0.428 42.735 42.059 0.414 0.000 1.229 427 L HN 0.816 nan 8.230 nan 0.000 0.416 428 C N 1.894 121.292 119.300 0.162 0.000 2.848 428 C HA 0.966 5.426 4.460 -0.000 0.000 0.317 428 C C -0.453 174.610 174.990 0.122 0.000 1.260 428 C CA -0.846 58.178 59.018 0.011 0.000 1.656 428 C CB 1.188 28.891 27.740 -0.062 0.000 2.174 428 C HN 0.809 nan 8.230 nan 0.000 0.479 429 F N -1.020 118.940 119.950 0.018 0.000 2.745 429 F HA 0.876 5.402 4.527 -0.000 0.000 0.316 429 F C -1.883 173.914 175.800 -0.005 0.000 1.155 429 F CA -1.467 56.537 58.000 0.006 0.000 0.937 429 F CB 0.515 39.512 39.000 -0.005 0.000 1.361 429 F HN 0.555 nan 8.300 nan 0.000 0.472 430 L N 2.178 123.573 121.223 0.286 0.000 2.342 430 L HA 0.891 5.231 4.340 -0.000 0.000 0.271 430 L C -0.535 176.485 176.870 0.249 0.000 1.008 430 L CA -0.845 54.091 54.840 0.159 0.000 0.818 430 L CB 2.094 44.207 42.059 0.091 0.000 1.296 430 L HN 0.833 nan 8.230 nan 0.000 0.427 431 V N 0.184 120.196 119.914 0.163 0.000 3.114 431 V HA 0.775 4.895 4.120 -0.000 0.000 0.308 431 V C -2.798 173.346 176.094 0.082 0.000 1.168 431 V CA -2.045 60.344 62.300 0.148 0.000 1.015 431 V CB 1.937 33.872 31.823 0.187 0.000 1.050 431 V HN 0.652 nan 8.190 nan 0.000 0.433 432 P HA 0.164 nan 4.420 nan 0.000 0.271 432 P C 1.084 178.408 177.300 0.040 0.000 1.216 432 P CA 0.815 63.943 63.100 0.047 0.000 0.776 432 P CB 1.282 33.008 31.700 0.044 0.000 0.881 433 G N 3.734 112.551 108.800 0.027 0.000 2.574 433 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.220 433 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.220 433 G C 1.178 176.092 174.900 0.023 0.000 1.173 433 G CA 1.006 46.117 45.100 0.019 0.000 0.772 433 G HN 0.481 nan 8.290 nan 0.000 0.585 434 E N 1.111 121.326 120.200 0.026 0.000 2.086 434 E HA -0.133 4.216 4.350 -0.000 0.000 0.200 434 E C 2.097 178.719 176.600 0.038 0.000 1.012 434 E CA 1.716 58.133 56.400 0.028 0.000 0.812 434 E CB -0.403 29.314 29.700 0.028 0.000 0.743 434 E HN 0.497 nan 8.360 nan 0.000 0.453 435 D N -0.136 120.294 120.400 0.050 0.000 2.194 435 D HA 0.035 4.675 4.640 -0.000 0.000 0.204 435 D C 1.762 178.100 176.300 0.064 0.000 0.964 435 D CA 1.169 55.211 54.000 0.071 0.000 0.846 435 D CB -0.352 40.505 40.800 0.095 0.000 0.962 435 D HN 0.224 nan 8.370 nan 0.000 0.490 436 A N 1.142 123.988 122.820 0.043 0.000 1.916 436 A HA -0.412 3.908 4.320 -0.000 0.000 0.224 436 A C 2.047 179.638 177.584 0.011 0.000 1.366 436 A CA 2.338 54.386 52.037 0.018 0.000 0.692 436 A CB -0.929 18.072 19.000 0.001 0.000 0.841 436 A HN 0.288 nan 8.150 nan 0.000 0.480 437 E N -1.528 118.682 120.200 0.017 0.000 2.072 437 E HA -0.221 4.128 4.350 -0.000 0.000 0.191 437 E C 2.365 178.989 176.600 0.040 0.000 0.985 437 E CA 1.131 57.541 56.400 0.017 0.000 0.801 437 E CB -0.150 29.558 29.700 0.013 0.000 0.750 437 E HN 0.819 nan 8.360 nan 0.000 0.452 438 Q N 0.679 120.517 119.800 0.063 0.000 2.050 438 Q HA -0.176 4.163 4.340 -0.000 0.000 0.202 438 Q C 2.200 178.283 176.000 0.138 0.000 0.980 438 Q CA 1.598 57.459 55.803 0.098 0.000 0.840 438 Q CB 0.084 28.887 28.738 0.109 0.000 0.898 438 Q HN 0.127 nan 8.270 nan 0.000 0.424 439 V N 0.276 120.259 119.914 0.114 0.000 2.255 439 V HA -0.288 3.832 4.120 -0.000 0.000 0.247 439 V C 2.416 178.475 176.094 -0.057 0.000 1.051 439 V CA 1.757 64.053 62.300 -0.006 0.000 1.018 439 V CB -0.658 31.071 31.823 -0.158 0.000 0.641 439 V HN 0.289 nan 8.190 nan 0.000 0.445 440 V N -0.357 119.543 119.914 -0.024 0.000 2.255 440 V HA -0.362 3.758 4.120 -0.000 0.000 0.247 440 V C 2.504 178.645 176.094 0.078 0.000 1.051 440 V CA 2.345 64.645 62.300 0.001 0.000 1.018 440 V CB -0.863 30.948 31.823 -0.020 0.000 0.641 440 V HN 0.596 nan 8.190 nan 0.000 0.445 441 Q N -0.185 119.664 119.800 0.082 0.000 2.077 441 Q HA -0.312 4.028 4.340 -0.000 0.000 0.206 441 Q C 2.360 178.458 176.000 0.165 0.000 0.989 441 Q CA 2.203 58.077 55.803 0.117 0.000 0.853 441 Q CB -0.279 28.512 28.738 0.089 0.000 0.907 441 Q HN 0.627 nan 8.270 nan 0.000 0.418 442 K N 0.879 121.385 120.400 0.178 0.000 2.025 442 K HA -0.117 4.203 4.320 -0.000 0.000 0.207 442 K C 1.996 178.725 176.600 0.215 0.000 1.049 442 K CA 0.711 57.125 56.287 0.212 0.000 0.933 442 K CB -0.133 32.556 32.500 0.316 0.000 0.714 442 K HN 0.097 nan 8.250 nan 0.000 0.438 443 L N 0.559 121.907 121.223 0.207 0.000 2.083 443 L HA -0.218 4.121 4.340 -0.000 0.000 0.209 443 L C 2.678 179.625 176.870 0.129 0.000 1.083 443 L CA 1.516 56.438 54.840 0.136 0.000 0.752 443 L CB -0.366 41.698 42.059 0.008 0.000 0.899 443 L HN 0.458 nan 8.230 nan 0.000 0.433 444 H N -1.808 117.333 119.070 0.118 0.000 2.333 444 H HA -0.158 4.398 4.556 -0.000 0.000 0.302 444 H C 2.428 177.856 175.328 0.166 0.000 1.075 444 H CA 1.448 57.632 56.048 0.227 0.000 1.348 444 H CB 0.304 30.183 29.762 0.194 0.000 1.393 444 H HN 0.322 nan 8.280 nan 0.000 0.509 445 S N 0.373 116.135 115.700 0.103 0.000 2.372 445 S HA -0.211 4.259 4.470 -0.000 0.000 0.227 445 S C 2.034 176.596 174.600 -0.063 0.000 1.044 445 S CA 1.811 60.023 58.200 0.020 0.000 1.050 445 S CB -0.394 62.848 63.200 0.070 0.000 0.901 445 S HN 0.586 nan 8.310 nan 0.000 0.447 446 N N -0.017 118.646 118.700 -0.061 0.000 2.446 446 N HA 0.003 4.742 4.740 -0.000 0.000 0.179 446 N C 1.240 176.618 175.510 -0.220 0.000 1.054 446 N CA 0.539 53.527 53.050 -0.103 0.000 0.905 446 N CB -0.090 38.361 38.487 -0.060 0.000 0.973 446 N HN 0.332 nan 8.380 nan 0.000 0.448 447 L N -0.908 120.091 121.223 -0.375 0.000 2.515 447 L HA 0.294 4.633 4.340 -0.000 0.000 0.223 447 L C 0.738 176.971 176.870 -1.061 0.000 1.079 447 L CA 0.770 55.156 54.840 -0.757 0.000 0.857 447 L CB -0.139 41.270 42.059 -1.082 0.000 1.050 447 L HN 0.022 nan 8.230 nan 0.000 0.476 448 F N -1.796 117.987 119.950 -0.277 0.000 2.570 448 F HA 0.241 4.768 4.527 -0.000 0.000 0.290 448 F C 1.309 176.951 175.800 -0.263 0.000 0.910 448 F CA -0.784 57.042 58.000 -0.291 0.000 1.119 448 F CB -0.053 38.691 39.000 -0.427 0.000 0.922 448 F HN -0.192 nan 8.300 nan 0.000 0.703 449 E N 0.000 120.082 120.200 -0.197 0.000 2.725 449 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 449 E CA 0.000 56.369 56.400 -0.051 0.000 0.976 449 E CB 0.000 29.694 29.700 -0.010 0.000 0.812 449 E HN 0.000 nan 8.360 nan 0.000 0.440